#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bmz s PRO 6 N 0.00 4.51 0.62 5.31 0.02 -1.26 -5.02 135.00 139.18 3bmz s PRO 6 Ca 0.00 1.92 -0.08 0.00 0.02 0.00 0.00 61.00 62.86 3bmz s PRO 6 Cb 0.00 -3.19 -0.00 0.00 0.02 0.00 0.00 34.50 31.33 3bmz s PRO 6 CO 0.00 -0.01 0.96 -1.25 -0.33 0.00 0.00 177.00 176.37 3bmz s PRO 7 N -0.90 3.07 0.46 5.54 0.04 -1.26 -4.64 135.00 137.31 3bmz s PRO 7 Ca 0.50 0.26 -0.20 0.00 0.04 0.00 0.00 61.00 61.59 3bmz s PRO 7 Cb -0.34 -2.18 -0.10 0.00 0.04 0.00 0.00 34.50 31.92 3bmz s PRO 7 CO 0.41 -0.72 0.98 -0.51 0.04 0.00 0.00 177.00 177.20 3bmz s LEU 8 N -5.10 3.87 0.92 -3.56 1.43 -1.26 -4.56 118.68 110.43 3bmz s LEU 8 Ca 0.54 1.76 -0.12 0.00 -1.03 0.00 0.00 54.13 55.29 3bmz s LEU 8 Cb -0.11 -4.54 0.14 0.00 0.03 0.00 0.00 46.19 41.71 3bmz s LEU 8 CO 0.48 -0.54 1.09 -0.76 0.23 0.00 0.00 176.35 176.86 3bmz s LEU 9 N -3.38 2.13 0.66 1.79 1.02 -0.51 -4.99 118.68 115.40 3bmz s LEU 9 Ca 0.64 1.48 -0.17 0.00 0.02 0.00 0.00 54.13 56.09 3bmz s LEU 9 Cb -0.12 -3.85 -0.01 0.00 0.02 0.00 0.00 46.19 42.24 3bmz s LEU 9 CO 0.17 -2.80 1.19 -0.81 0.02 0.00 0.00 176.35 174.13 3bmz n PRO 10 N -3.99 0.92 0.26 1.29 -0.04 -1.26 -4.88 135.00 127.31 3bmz n PRO 10 Ca 0.07 0.37 0.09 0.00 -0.04 0.00 0.00 63.50 63.99 3bmz n PRO 10 Cb 0.55 -2.43 0.67 0.00 -0.04 0.00 0.00 33.50 32.25 3bmz n PRO 10 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bmz h ALA 11 N 0.30 1.95 -2.69 0.55 0.00 -1.95 -3.42 119.26 114.00 3bmz h ALA 11 Ca -0.50 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 3bmz h ALA 11 Cb 1.34 -0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.88 3bmz h ALA 11 CO 0.51 0.00 -0.24 0.50 0.00 0.00 0.00 179.25 180.02 3bmz s ARG 12 N -5.02 0.46 -0.02 0.00 3.52 -1.26 -1.62 118.95 115.01 3bmz s ARG 12 Ca -0.05 0.65 -0.24 0.00 -0.13 0.00 0.00 55.73 55.97 3bmz s ARG 12 Cb 0.17 0.16 0.05 0.00 -1.56 0.00 0.00 34.95 33.77 3bmz s ARG 12 CO 0.66 -0.09 0.52 1.67 -0.81 0.00 0.00 175.30 177.25 3bmz s TRP 13 N 0.59 -0.45 0.02 5.12 1.48 -0.34 -4.46 118.94 120.90 3bmz s TRP 13 Ca -0.03 0.70 -0.07 0.00 -1.06 0.00 0.00 56.10 55.65 3bmz s TRP 13 Cb -0.05 0.29 -0.00 0.00 -1.16 0.00 0.00 33.47 32.55 3bmz s TRP 13 CO -0.04 -0.54 0.12 -1.12 -4.06 0.00 0.00 176.95 171.31 3bmz s SER 14 N -1.40 0.08 -0.10 -2.66 0.01 -0.33 -0.41 113.70 108.89 3bmz s SER 14 Ca -0.11 -0.34 -0.30 0.00 1.31 0.00 0.00 55.95 56.52 3bmz s SER 14 Cb -0.02 0.21 0.12 0.00 0.21 0.00 0.00 66.02 66.54 3bmz s SER 14 CO 0.06 -0.42 0.97 -0.55 0.41 0.00 0.00 173.24 173.71 3bmz s SER 15 N -1.67 -0.35 0.76 2.44 0.15 -0.38 -0.47 113.70 114.18 3bmz s SER 15 Ca -0.11 0.22 -0.13 0.00 0.70 0.00 0.00 55.95 56.62 3bmz s SER 15 Cb -0.05 0.32 0.06 0.00 -1.71 0.00 0.00 66.02 64.63 3bmz s SER 15 CO -0.01 -0.44 1.15 0.00 1.20 0.00 0.00 173.24 175.15 3bmz s ALA 16 N -1.98 2.08 0.08 5.45 0.00 -1.26 -0.71 121.76 125.41 3bmz s ALA 16 Ca 0.02 0.65 0.03 0.00 0.00 0.00 0.00 51.96 52.65 3bmz s ALA 16 Cb -0.01 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 3bmz s ALA 16 CO -0.03 -1.92 -0.09 1.52 0.00 0.00 0.00 175.76 175.24 3bmz s TYR 17 N -2.36 0.91 -0.10 0.00 -0.85 -0.55 -3.90 117.35 110.50 3bmz s TYR 17 Ca 0.69 -0.64 0.02 0.00 -0.52 0.00 0.00 57.07 56.62 3bmz s TYR 17 Cb -0.24 -0.52 0.01 0.00 0.38 0.00 0.00 41.96 41.60 3bmz s TYR 17 CO 0.49 -0.05 -0.15 0.08 -1.52 0.00 0.00 175.55 174.40 3bmz s VAL 18 N -2.21 1.49 -0.08 -3.49 1.01 -0.44 -1.57 120.40 115.10 3bmz s VAL 18 Ca 0.01 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.39 3bmz s VAL 18 Cb -0.04 -1.35 -0.00 0.00 0.00 0.00 0.00 36.38 34.98 3bmz s VAL 18 CO -0.01 0.44 -0.23 -0.55 0.00 0.00 0.00 175.10 174.76 3bmz s SER 19 N 0.92 2.88 0.00 3.32 0.15 0.47 -0.59 113.70 120.85 3bmz s SER 19 Ca -0.08 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.06 3bmz s SER 19 Cb -0.15 -1.15 0.00 0.00 -1.71 0.00 0.00 66.02 63.00 3bmz s SER 19 CO -0.00 0.17 0.00 0.00 1.20 0.00 0.00 173.24 174.60 3bmz n TYR 20 N 3.39 -0.30 -4.02 3.44 4.11 0.01 -1.18 117.16 122.61 3bmz n TYR 20 Ca -0.19 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.62 3bmz n TYR 20 Cb 0.53 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.76 3bmz n TYR 20 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 3bmz s TRP 21 N -4.73 0.35 -0.17 -3.48 0.52 -1.26 -0.84 118.94 109.33 3bmz s TRP 21 Ca 0.00 -0.69 -0.00 0.00 0.02 0.00 0.00 56.10 55.43 3bmz s TRP 21 Cb 0.00 -0.26 0.04 0.00 -1.15 0.00 0.00 33.47 32.10 3bmz s TRP 21 CO 0.00 -0.24 -0.08 0.45 0.02 0.00 0.00 176.95 177.10 3bmz s SER 22 N -1.90 2.95 0.89 2.95 0.15 0.22 -3.49 113.70 115.48 3bmz s SER 22 Ca -0.09 -0.70 -0.12 0.00 0.70 0.00 0.00 55.95 55.74 3bmz s SER 22 Cb -0.05 -1.03 0.12 0.00 -1.71 0.00 0.00 66.02 63.36 3bmz s SER 22 CO -0.04 -0.16 1.14 -2.16 1.20 0.00 0.00 173.24 173.23 3bmz s PRO 23 N 1.55 1.33 -0.49 5.44 0.04 -1.26 -0.75 135.00 140.86 3bmz s PRO 23 Ca 0.01 0.29 -0.25 0.00 0.04 0.00 0.00 61.00 61.09 3bmz s PRO 23 Cb -0.15 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.56 3bmz s PRO 23 CO -0.08 -2.07 0.91 -1.64 0.04 0.00 0.00 177.00 174.16 3bmz s MET 24 N -5.31 3.44 0.62 4.56 -1.94 -1.23 -4.92 119.30 114.52 3bmz s MET 24 Ca 0.63 -0.03 -0.09 0.00 -1.71 0.00 0.00 55.69 54.49 3bmz s MET 24 Cb -0.14 -3.97 -0.01 0.00 2.01 0.00 0.00 34.83 32.71 3bmz s MET 24 CO 0.53 -1.30 0.99 -0.51 -0.01 0.00 0.00 175.02 174.72 3bmz s LEU 25 N 3.75 3.20 0.31 -0.03 1.43 -1.26 -4.96 118.68 121.12 3bmz s LEU 25 Ca 0.33 1.13 0.08 0.00 -1.03 0.00 0.00 54.13 54.64 3bmz s LEU 25 Cb -0.11 -4.05 0.84 0.00 0.03 0.00 0.00 46.19 42.89 3bmz s LEU 25 CO 0.23 -1.00 1.72 -0.65 0.23 0.00 0.00 176.35 176.88 3bmz h PRO 26 N -0.31 0.50 -0.01 1.29 0.11 -2.06 -0.88 132.00 130.64 3bmz h PRO 26 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3bmz h PRO 26 Cb 1.22 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3bmz h PRO 26 CO 0.62 0.33 -0.17 -0.25 -0.21 0.00 0.00 178.00 178.32 3bmz n ASP 27 N -4.95 1.26 -4.77 -2.05 8.00 -1.26 -4.92 116.55 107.86 3bmz n ASP 27 Ca 0.25 -1.14 -0.40 0.00 0.71 0.00 0.00 54.79 54.22 3bmz n ASP 27 Cb 0.72 0.09 -0.01 0.00 -0.02 0.00 0.00 41.12 41.90 3bmz n ASP 27 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3bmz s ASP 28 N -2.32 6.52 0.04 -2.24 1.01 -0.34 -5.02 116.67 114.32 3bmz s ASP 28 Ca 0.29 2.57 0.04 0.00 0.71 0.00 0.00 52.55 56.17 3bmz s ASP 28 Cb 0.20 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 3bmz s ASP 28 CO 0.45 -0.69 -0.07 -1.10 0.21 0.00 0.00 175.17 173.97 3bmz s GLN 29 N -2.10 2.43 -0.29 8.23 -1.52 -1.26 -4.88 119.66 120.27 3bmz s GLN 29 Ca 0.54 -0.82 -0.12 0.00 -1.95 0.00 0.00 55.36 53.01 3bmz s GLN 29 Cb -0.36 -2.45 -0.04 0.00 -0.22 0.00 0.00 33.01 29.94 3bmz s GLN 29 CO 0.47 0.57 0.24 -1.17 -0.25 0.00 0.00 175.29 175.15 3bmz s LEU 30 N -1.71 4.12 0.23 2.90 2.96 -1.26 -4.36 118.68 121.56 3bmz s LEU 30 Ca 0.19 -0.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 3bmz s LEU 30 Cb -0.11 -2.19 -0.05 0.00 0.50 0.00 0.00 46.19 44.34 3bmz s LEU 30 CO 0.10 -0.12 0.01 0.42 -1.32 0.00 0.00 176.35 175.44 3bmz s THR 31 N 1.82 0.96 0.12 3.68 -4.23 -0.33 -4.97 115.64 112.70 3bmz s THR 31 Ca 0.08 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.58 3bmz s THR 31 Cb -0.16 -2.35 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 3bmz s THR 31 CO 0.11 -0.31 -0.04 -0.55 -0.54 0.00 0.00 174.62 173.29 3bmz s SER 32 N -3.30 1.07 0.00 3.99 0.15 -1.26 -0.39 113.70 113.96 3bmz s SER 32 Ca 0.29 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.87 3bmz s SER 32 Cb 0.06 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 3bmz s SER 32 CO 0.09 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.62 3bmz n GLY 33 N -0.09 1.95 2.98 9.45 0.00 -0.61 -4.17 105.19 114.69 3bmz n GLY 33 Ca -0.10 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 3bmz n GLY 33 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3bmz s TYR 34 N -1.84 0.18 0.04 1.61 5.04 -0.43 -1.48 117.35 120.46 3bmz s TYR 34 Ca 0.00 -0.37 -0.02 0.00 -2.44 0.00 0.00 57.07 54.24 3bmz s TYR 34 Cb 0.00 -0.13 -0.03 0.00 0.35 0.00 0.00 41.96 42.15 3bmz s TYR 34 CO 0.00 -0.17 0.01 0.00 -1.34 0.00 0.00 175.55 174.06 3bmz s TRP 36 N -2.98 0.18 -0.09 0.00 0.51 -0.03 -1.26 118.94 115.28 3bmz s TRP 36 Ca -0.02 0.00 -0.00 0.00 -2.12 0.00 0.00 56.10 53.96 3bmz s TRP 36 Cb 0.01 -0.20 0.02 0.00 -0.81 0.00 0.00 33.47 32.49 3bmz s TRP 36 CO -0.06 -0.05 -0.05 -0.06 -0.51 0.00 0.00 176.95 176.22 3bmz s PHE 37 N 0.39 1.16 -0.31 -1.98 0.40 0.45 -0.85 117.98 117.24 3bmz s PHE 37 Ca -0.04 -0.50 0.02 0.00 -0.60 0.00 0.00 56.93 55.81 3bmz s PHE 37 Cb -0.06 -1.04 0.09 0.00 0.51 0.00 0.00 43.02 42.52 3bmz s PHE 37 CO -0.01 -0.41 0.04 0.34 0.70 0.00 0.00 175.22 175.88 3bmz s ASP 38 N 1.66 4.40 0.35 1.36 -1.08 -0.40 -1.19 116.67 121.77 3bmz s ASP 38 Ca 0.02 -1.82 0.19 0.00 -0.52 0.00 0.00 52.55 50.42 3bmz s ASP 38 Cb -0.13 -1.33 0.38 0.00 -1.46 0.00 0.00 42.92 40.37 3bmz s ASP 38 CO -0.06 -0.36 1.59 1.88 0.52 0.00 0.00 175.17 178.74 3bmz h TYR 39 N 7.81 0.00 -0.21 -5.34 0.05 -1.56 0.12 116.97 117.84 3bmz h TYR 39 Ca -0.10 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.50 3bmz h TYR 39 Cb 1.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.77 3bmz h TYR 39 CO 0.44 0.35 -0.60 0.93 -1.05 0.00 0.00 178.16 178.24 3bmz h GLU 40 N 0.00 0.78 0.00 4.88 4.39 -1.95 -2.90 114.58 119.79 3bmz h GLU 40 Ca -0.00 -0.55 -0.09 0.00 0.34 0.00 0.00 59.36 59.06 3bmz h GLU 40 Cb 1.13 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 3bmz h GLU 40 CO 0.05 1.18 -0.41 0.00 -1.16 0.00 0.00 179.01 178.67 3bmz h ARG 41 N 0.52 0.00 -3.95 2.33 3.08 -1.91 -3.48 114.38 110.97 3bmz h ARG 41 Ca -0.01 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.87 3bmz h ARG 41 Cb 1.21 0.00 0.09 0.00 0.08 0.00 0.00 29.97 31.35 3bmz h ARG 41 CO 0.13 0.41 -0.40 -3.47 -1.07 0.00 0.00 179.97 175.56 3bmz n ASP 42 N -3.55 -2.48 -3.75 7.04 2.03 0.36 -4.66 116.55 111.54 3bmz n ASP 42 Ca -0.00 -0.33 -0.13 0.00 0.52 0.00 0.00 54.79 54.85 3bmz n ASP 42 Cb 0.53 -2.89 -0.08 0.00 -0.72 0.00 0.00 41.12 37.96 3bmz n ASP 42 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3bmz s ILE 43 N -3.19 0.06 0.11 5.18 2.07 -0.81 -1.42 121.20 123.22 3bmz s ILE 43 Ca 0.05 -0.53 -0.03 0.00 -1.41 0.00 0.00 60.65 58.72 3bmz s ILE 43 Cb -0.01 -0.72 -0.03 0.00 0.13 0.00 0.00 42.46 41.83 3bmz s ILE 43 CO 0.38 -0.29 0.09 0.00 -1.91 0.00 0.00 174.94 173.21 3bmz s ARG 45 N -3.98 0.27 -0.05 0.00 3.52 -0.03 -0.93 118.95 117.75 3bmz s ARG 45 Ca 0.17 0.34 0.00 0.00 -0.13 0.00 0.00 55.73 56.10 3bmz s ARG 45 Cb 0.06 0.12 0.03 0.00 -1.56 0.00 0.00 34.95 33.60 3bmz s ARG 45 CO -0.03 -0.04 -0.02 0.42 -0.81 0.00 0.00 175.30 174.83 3bmz s ILE 46 N 0.19 0.39 -0.14 4.11 1.01 -0.43 -0.85 121.20 125.48 3bmz s ILE 46 Ca -0.01 0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.68 3bmz s ILE 46 Cb -0.02 -0.48 0.01 0.00 0.01 0.00 0.00 42.46 41.98 3bmz s ILE 46 CO -0.00 0.22 -0.21 -1.81 0.00 0.00 0.00 174.94 173.14 3bmz s ASP 47 N 1.31 3.04 0.00 3.58 1.11 -0.18 -1.08 116.67 124.46 3bmz s ASP 47 Ca -0.05 -0.59 0.00 0.00 0.18 0.00 0.00 52.55 52.09 3bmz s ASP 47 Cb -0.13 -1.41 0.00 0.00 1.07 0.00 0.00 42.92 42.44 3bmz s ASP 47 CO -0.02 0.06 0.00 0.61 1.18 0.00 0.00 175.17 177.00 3bmz n GLY 48 N 4.18 0.69 3.71 0.21 0.00 -0.38 -1.32 105.19 112.29 3bmz n GLY 48 Ca -0.20 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 3bmz n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bmz n LEU 49 N 0.00 3.88 -4.72 0.99 4.77 -1.26 -1.59 117.00 119.06 3bmz n LEU 49 Ca 0.00 1.07 -0.42 0.00 -0.03 0.00 0.00 56.01 56.63 3bmz n LEU 49 Cb 0.00 -1.55 -0.03 0.00 -2.33 0.00 0.00 43.42 39.51 3bmz n LEU 49 CO 0.00 0.11 1.18 0.12 -1.33 0.00 0.00 177.39 177.47 3bmz s PHE 50 N 1.08 3.07 -0.10 -1.77 2.19 0.66 -4.89 117.98 118.22 3bmz s PHE 50 Ca 0.75 0.77 -0.03 0.00 0.33 0.00 0.00 56.93 58.75 3bmz s PHE 50 Cb -0.53 -3.87 0.05 0.00 -1.31 0.00 0.00 43.02 37.35 3bmz s PHE 50 CO 0.34 -3.10 0.09 1.21 1.83 0.00 0.00 175.22 175.58 3bmz s ASN 51 N 0.93 1.60 0.18 6.13 3.84 -1.26 -3.77 114.94 122.59 3bmz s ASN 51 Ca 0.67 -0.19 -0.17 0.00 0.21 0.00 0.00 52.86 53.38 3bmz s ASN 51 Cb -0.42 -0.13 -0.08 0.00 -0.55 0.00 0.00 41.25 40.07 3bmz s ASN 51 CO 0.34 -0.29 0.64 -2.16 -2.79 0.00 0.00 177.10 172.84 3bmz s PRO 52 N 2.17 4.13 -0.12 0.43 0.04 -1.26 -5.07 135.00 135.33 3bmz s PRO 52 Ca 0.04 0.70 -0.04 0.00 0.04 0.00 0.00 61.00 61.73 3bmz s PRO 52 Cb -0.14 -2.93 0.06 0.00 0.04 0.00 0.00 34.50 31.53 3bmz s PRO 52 CO -0.06 0.45 0.22 -0.46 0.04 0.00 0.00 177.00 177.19 3bmz s TRP 53 N -1.46 -0.31 -0.62 0.56 -0.11 -1.25 -5.11 118.94 110.64 3bmz s TRP 53 Ca 0.40 0.73 -0.26 0.00 1.22 0.00 0.00 56.10 58.18 3bmz s TRP 53 Cb -0.16 -0.17 0.04 0.00 -1.50 0.00 0.00 33.47 31.68 3bmz s TRP 53 CO 0.20 -0.36 1.12 0.45 -4.62 0.00 0.00 176.95 173.74 3bmz s SER 54 N 2.36 6.32 0.46 5.86 0.15 -1.26 -4.87 113.70 122.72 3bmz s SER 54 Ca 0.03 -0.26 0.17 0.00 0.70 0.00 0.00 55.95 56.59 3bmz s SER 54 Cb -0.13 -2.51 1.09 0.00 -1.71 0.00 0.00 66.02 62.76 3bmz s SER 54 CO -0.08 -1.49 2.00 -0.08 1.20 0.00 0.00 173.24 174.79 3bmz h GLU 55 N 9.59 0.00 -0.28 5.44 4.81 -1.97 -2.35 114.58 129.82 3bmz h GLU 55 Ca -0.26 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 3bmz h GLU 55 Cb 1.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 3bmz h GLU 55 CO 1.18 0.18 0.08 0.00 -0.73 0.00 0.00 179.01 179.72 3bmz h ARG 56 N 0.00 0.44 -0.17 1.92 3.08 -1.89 0.45 114.38 118.21 3bmz h ARG 56 Ca -0.00 -0.10 -0.17 0.00 0.07 0.00 0.00 59.98 59.78 3bmz h ARG 56 Cb 0.34 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3bmz h ARG 56 CO 0.02 0.51 -0.58 -0.44 -1.07 0.00 0.00 179.97 178.41 3bmz h ASP 57 N 0.29 0.61 0.00 7.04 3.32 -1.94 -3.37 116.42 122.36 3bmz h ASP 57 Ca 0.09 -0.34 -0.23 0.00 0.02 0.00 0.00 57.03 56.57 3bmz h ASP 57 Cb 0.26 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 3bmz h ASP 57 CO -0.00 1.05 -2.02 0.35 -1.72 0.00 0.00 179.24 176.90 3bmz n THR 58 N -3.94 0.87 -0.57 0.35 -2.24 -0.89 -5.02 114.28 102.85 3bmz n THR 58 Ca -0.03 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3bmz n THR 58 Cb 0.62 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 3bmz n THR 58 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bmz n GLY 59 N 1.93 0.76 3.44 3.38 0.00 0.16 -5.05 105.19 109.81 3bmz n GLY 59 Ca -0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 3bmz n GLY 59 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bmz s TYR 60 N -2.82 0.20 0.08 1.61 -0.85 -1.24 -4.44 117.35 109.90 3bmz s TYR 60 Ca 0.00 -0.56 0.01 0.00 -0.52 0.00 0.00 57.07 56.00 3bmz s TYR 60 Cb 0.00 0.14 -0.04 0.00 0.38 0.00 0.00 41.96 42.44 3bmz s TYR 60 CO 0.00 -0.83 0.19 1.03 -1.52 0.00 0.00 175.55 174.42 3bmz s ARG 61 N -3.94 3.30 -0.13 -3.49 0.52 -0.19 -3.96 118.95 111.06 3bmz s ARG 61 Ca 0.15 -0.53 0.02 0.00 -0.52 0.00 0.00 55.73 54.85 3bmz s ARG 61 Cb 0.01 -2.95 0.01 0.00 0.52 0.00 0.00 34.95 32.55 3bmz s ARG 61 CO 0.00 0.58 -0.19 -1.17 0.02 0.00 0.00 175.30 174.54 3bmz s LEU 62 N -2.61 1.95 -0.05 2.53 2.96 -1.26 -0.36 118.68 121.83 3bmz s LEU 62 Ca 0.34 -0.53 -0.12 0.00 -0.22 0.00 0.00 54.13 53.59 3bmz s LEU 62 Cb -0.12 -1.30 -0.05 0.00 0.50 0.00 0.00 46.19 45.21 3bmz s LEU 62 CO 0.27 0.05 0.31 0.86 -1.32 0.00 0.00 176.35 176.52 3bmz s TRP 63 N 0.88 3.67 -0.01 5.38 -0.00 -0.05 -0.25 118.94 128.57 3bmz s TRP 63 Ca -0.07 0.81 -0.03 0.00 -0.00 0.00 0.00 56.10 56.81 3bmz s TRP 63 Cb -0.15 -2.17 -0.00 0.00 -0.00 0.00 0.00 33.47 31.15 3bmz s TRP 63 CO -0.02 0.65 0.06 1.41 -0.00 0.00 0.00 176.95 179.06 3bmz s MET 64 N -0.96 0.22 -0.16 5.86 -2.45 -0.62 -1.06 119.30 120.13 3bmz s MET 64 Ca 0.20 -0.17 0.01 0.00 -1.25 0.00 0.00 55.69 54.48 3bmz s MET 64 Cb -0.15 0.09 0.01 0.00 1.25 0.00 0.00 34.83 36.03 3bmz s MET 64 CO 0.09 -0.04 -0.19 0.45 1.05 0.00 0.00 175.02 176.38 3bmz s SER 65 N -0.62 3.28 -0.08 1.11 0.15 -0.35 -1.24 113.70 115.94 3bmz s SER 65 Ca -0.07 -0.58 0.04 0.00 0.70 0.00 0.00 55.95 56.04 3bmz s SER 65 Cb -0.04 -1.49 -0.00 0.00 -1.71 0.00 0.00 66.02 62.78 3bmz s SER 65 CO 0.00 0.06 -0.22 -0.70 1.20 0.00 0.00 173.24 173.58 3bmz s GLU 66 N 0.97 2.59 -0.30 5.44 2.12 -0.24 -0.44 118.70 128.84 3bmz s GLU 66 Ca -0.03 -0.78 -0.01 0.00 0.36 0.00 0.00 54.97 54.51 3bmz s GLU 66 Cb -0.15 -2.04 0.05 0.00 0.26 0.00 0.00 34.13 32.26 3bmz s GLU 66 CO -0.05 0.20 -0.02 0.08 -0.54 0.00 0.00 175.26 174.94 3bmz s VAL 67 N 0.26 2.82 -0.38 3.70 1.01 -0.00 -1.31 120.40 126.49 3bmz s VAL 67 Ca -0.13 -1.48 -0.13 0.00 0.00 0.00 0.00 61.98 60.24 3bmz s VAL 67 Cb -0.16 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.59 3bmz s VAL 67 CO 0.06 -0.12 0.24 -0.83 0.00 0.00 0.00 175.10 174.45 3bmz s GLY 68 N 1.23 1.96 -0.59 4.51 0.00 -0.10 -1.51 107.32 112.82 3bmz s GLY 68 Ca -0.05 -1.65 -0.14 0.00 0.00 0.00 0.00 44.72 42.89 3bmz s GLY 68 CO -0.02 0.85 0.52 0.21 0.00 0.00 0.00 173.10 174.66 3bmz s ASN 69 N 1.63 6.16 0.47 1.64 3.84 0.01 -1.37 114.94 127.33 3bmz s ASN 69 Ca 0.04 -2.05 0.27 0.00 0.21 0.00 0.00 52.86 51.33 3bmz s ASN 69 Cb -0.19 -2.15 0.96 0.00 -0.55 0.00 0.00 41.25 39.32 3bmz s ASN 69 CO 0.08 -0.74 1.83 0.00 -2.79 0.00 0.00 177.10 175.48 3bmz h ALA 70 N 8.49 0.99 -0.06 1.71 0.00 -1.45 0.86 119.26 129.79 3bmz h ALA 70 Ca -0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3bmz h ALA 70 Cb 1.08 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3bmz h ALA 70 CO 0.93 0.15 0.01 0.00 0.00 0.00 0.00 179.25 180.34 3bmz h ALA 71 N 1.88 0.08 0.00 0.00 0.00 -1.79 -3.15 119.26 116.29 3bmz h ALA 71 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3bmz h ALA 71 Cb 0.73 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3bmz h ALA 71 CO 0.02 -0.26 -0.29 0.66 0.00 0.00 0.00 179.25 179.38 3bmz h SER 72 N -0.15 0.00 -0.52 0.00 4.64 -1.87 -3.48 113.55 112.18 3bmz h SER 72 Ca 0.02 -0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.17 3bmz h SER 72 Cb 0.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.36 3bmz h SER 72 CO 0.00 0.03 -0.12 0.61 -0.87 0.00 0.00 176.83 176.47 3bmz n GLY 73 N 1.24 0.51 3.14 -0.77 0.00 0.22 -5.00 105.19 104.52 3bmz n GLY 73 Ca 0.04 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 45.12 3bmz n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bmz s ARG 74 N -3.30 0.95 0.18 1.61 1.81 -0.74 -0.51 118.95 118.95 3bmz s ARG 74 Ca 0.00 -0.73 0.10 0.00 -1.72 0.00 0.00 55.73 53.39 3bmz s ARG 74 Cb 0.00 -0.96 -0.04 0.00 -0.45 0.00 0.00 34.95 33.50 3bmz s ARG 74 CO 0.00 0.24 -0.18 -0.08 -0.68 0.00 0.00 175.30 174.60 3bmz s THR 75 N -0.79 2.72 -0.05 0.02 -1.32 -0.11 -0.81 115.64 115.30 3bmz s THR 75 Ca 0.02 -1.82 0.02 0.00 -1.21 0.00 0.00 61.69 58.71 3bmz s THR 75 Cb -0.08 -2.31 0.01 0.00 -1.51 0.00 0.00 72.50 68.62 3bmz s THR 75 CO 0.01 -0.08 -0.11 0.86 -2.21 0.00 0.00 174.62 173.09 3bmz s TRP 76 N -1.59 1.28 -0.10 9.09 -0.00 -0.57 -2.15 118.94 124.91 3bmz s TRP 76 Ca 0.22 -0.43 0.02 0.00 -0.00 0.00 0.00 56.10 55.90 3bmz s TRP 76 Cb -0.09 -0.95 0.02 0.00 -0.00 0.00 0.00 33.47 32.45 3bmz s TRP 76 CO 0.12 -0.23 -0.13 0.15 -0.00 0.00 0.00 176.95 176.86 3bmz s LYS 77 N 0.58 1.95 -0.15 5.86 1.02 0.54 -0.82 119.74 128.71 3bmz s LYS 77 Ca -0.12 -0.46 -0.07 0.00 0.02 0.00 0.00 55.97 55.34 3bmz s LYS 77 Cb -0.14 -1.69 -0.04 0.00 -0.52 0.00 0.00 37.83 35.44 3bmz s LYS 77 CO 0.03 -0.07 0.11 -1.14 -0.92 0.00 0.00 175.35 173.36 3bmz s GLN 78 N 1.01 3.65 -0.00 1.68 0.74 0.42 -1.20 119.66 125.96 3bmz s GLN 78 Ca -0.07 -0.21 0.01 0.00 0.05 0.00 0.00 55.36 55.14 3bmz s GLN 78 Cb -0.15 -3.21 -0.00 0.00 1.10 0.00 0.00 33.01 30.75 3bmz s GLN 78 CO -0.01 0.58 -0.03 0.15 -0.55 0.00 0.00 175.29 175.42 3bmz s LYS 79 N -0.47 0.28 -0.07 1.67 1.02 -1.26 -1.21 119.74 119.70 3bmz s LYS 79 Ca 0.11 -0.12 -0.00 0.00 0.02 0.00 0.00 55.97 55.98 3bmz s LYS 79 Cb -0.12 -0.27 0.02 0.00 -0.52 0.00 0.00 37.83 36.95 3bmz s LYS 79 CO 0.02 0.07 -0.04 0.08 -0.92 0.00 0.00 175.35 174.56 3bmz s VAL 80 N -0.07 0.60 0.07 3.17 1.01 -0.22 -1.21 120.40 123.74 3bmz s VAL 80 Ca 0.01 -0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.74 3bmz s VAL 80 Cb -0.01 -0.67 -0.07 0.00 0.00 0.00 0.00 36.38 35.63 3bmz s VAL 80 CO -0.00 0.28 0.54 0.00 0.00 0.00 0.00 175.10 175.92 3bmz s ALA 81 N 1.51 3.60 -0.25 5.51 0.00 0.25 -0.87 121.76 131.51 3bmz s ALA 81 Ca -0.01 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.95 3bmz s ALA 81 Cb -0.13 -2.59 0.06 0.00 0.00 0.00 0.00 23.12 20.46 3bmz s ALA 81 CO -0.04 0.42 -0.11 0.71 0.00 0.00 0.00 175.76 176.74 3bmz s TYR 82 N -1.15 3.10 0.13 0.00 1.51 0.51 -0.72 117.35 120.72 3bmz s TYR 82 Ca 0.29 -2.18 0.08 0.00 -1.01 0.00 0.00 57.07 54.25 3bmz s TYR 82 Cb -0.19 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 39.75 3bmz s TYR 82 CO 0.18 -0.86 -0.09 0.20 -1.11 0.00 0.00 175.55 173.87 3bmz s GLY 83 N 1.16 1.77 0.12 0.71 0.00 -0.27 -1.02 107.32 109.80 3bmz s GLY 83 Ca -0.07 -1.31 -0.23 0.00 0.00 0.00 0.00 44.72 43.11 3bmz s GLY 83 CO -0.06 -1.30 0.71 0.50 0.00 0.00 0.00 173.10 172.96 3bmz s ARG 84 N -2.40 4.45 0.15 2.90 0.52 -1.26 -0.09 118.95 123.22 3bmz s ARG 84 Ca 0.23 1.02 -0.00 0.00 -0.52 0.00 0.00 55.73 56.45 3bmz s ARG 84 Cb -0.10 -3.27 -0.04 0.00 0.52 0.00 0.00 34.95 32.06 3bmz s ARG 84 CO 0.14 0.56 0.05 -1.21 0.02 0.00 0.00 175.30 174.86 3bmz s GLU 85 N -1.02 1.00 -0.12 3.54 0.41 0.09 -4.92 118.70 117.69 3bmz s GLU 85 Ca 0.34 -1.48 0.01 0.00 -0.41 0.00 0.00 54.97 53.43 3bmz s GLU 85 Cb -0.22 0.10 0.02 0.00 -1.78 0.00 0.00 34.13 32.25 3bmz s GLU 85 CO 0.24 -0.24 -0.13 0.50 -0.49 0.00 0.00 175.26 175.14 3bmz s ARG 86 N -4.02 2.06 0.46 1.61 3.52 -1.26 -0.46 118.95 120.86 3bmz s ARG 86 Ca 0.25 -0.49 0.00 0.00 -0.13 0.00 0.00 55.73 55.37 3bmz s ARG 86 Cb 0.07 -1.84 -0.00 0.00 -1.56 0.00 0.00 34.95 31.62 3bmz s ARG 86 CO 0.03 -0.14 0.01 0.25 -0.81 0.00 0.00 175.30 174.65 3bmz n THR 87 N 4.45 0.00 0.31 4.11 -2.24 -0.29 -4.99 114.28 115.63 3bmz n THR 87 Ca -0.18 -2.21 0.19 0.00 -2.27 0.00 0.00 64.05 59.59 3bmz n THR 87 Cb 0.51 0.47 0.97 0.00 -2.10 0.00 0.00 70.33 70.18 3bmz n THR 87 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bmz h ALA 88 N 1.27 1.06 -0.14 6.98 0.00 -2.02 -2.18 119.26 124.24 3bmz h ALA 88 Ca -0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3bmz h ALA 88 Cb 1.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3bmz h ALA 88 CO 0.63 0.02 0.00 1.28 0.00 0.00 0.00 179.25 181.18 3bmz n LEU 89 N -3.20 2.27 0.00 0.00 4.77 -1.26 -5.06 117.00 114.52 3bmz n LEU 89 Ca -0.02 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 3bmz n LEU 89 Cb 0.17 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3bmz n LEU 89 CO 0.24 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 3bmz n GLY 90 N 1.27 0.34 3.75 -0.72 0.00 -0.82 -5.02 105.19 103.99 3bmz n GLY 90 Ca 0.17 -2.31 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 3bmz n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bmz s GLU 91 N -0.24 4.36 0.09 1.61 2.12 -1.26 -1.13 118.70 124.24 3bmz s GLU 91 Ca 0.00 2.17 0.02 0.00 0.36 0.00 0.00 54.97 57.52 3bmz s GLU 91 Cb 0.00 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 3bmz s GLU 91 CO 0.00 -0.25 -0.07 -0.65 -0.54 0.00 0.00 175.26 173.75 3bmz s GLN 92 N -0.85 0.78 -0.13 4.30 -1.52 0.39 -4.94 119.66 117.69 3bmz s GLN 92 Ca 0.54 -1.20 -0.06 0.00 -1.95 0.00 0.00 55.36 52.69 3bmz s GLN 92 Cb -0.39 -0.28 -0.04 0.00 -0.22 0.00 0.00 33.01 32.08 3bmz s GLN 92 CO 0.45 0.01 0.08 -0.51 -0.25 0.00 0.00 175.29 175.07 3bmz s LEU 93 N -2.68 4.00 -0.15 2.90 1.43 -1.26 -0.73 118.68 122.19 3bmz s LEU 93 Ca 0.07 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 3bmz s LEU 93 Cb 0.01 -1.97 -0.00 0.00 0.03 0.00 0.00 46.19 44.26 3bmz s LEU 93 CO -0.03 0.33 -0.15 0.00 0.23 0.00 0.00 176.35 176.74 3bmz s GLU 95 N 0.77 3.93 -0.24 0.00 1.03 -1.26 -1.11 118.70 121.82 3bmz s GLU 95 Ca -0.06 0.53 -0.03 0.00 0.03 0.00 0.00 54.97 55.44 3bmz s GLU 95 Cb -0.15 -2.52 0.13 0.00 -0.80 0.00 0.00 34.13 30.78 3bmz s GLU 95 CO 0.01 0.22 0.36 0.50 -1.33 0.00 0.00 175.26 175.02 3bmz s ARG 96 N -2.89 0.33 0.45 -4.83 3.52 0.10 -4.98 118.95 110.65 3bmz s ARG 96 Ca 0.51 0.50 -0.25 0.00 -0.13 0.00 0.00 55.73 56.36 3bmz s ARG 96 Cb -0.11 -0.57 -0.08 0.00 -1.56 0.00 0.00 34.95 32.64 3bmz s ARG 96 CO 0.19 -0.64 1.36 -2.14 -0.81 0.00 0.00 175.30 173.26 3bmz s PRO 97 N 2.52 3.70 0.30 5.12 0.02 -1.26 -0.58 135.00 144.81 3bmz s PRO 97 Ca 0.12 2.26 0.06 0.00 0.02 0.00 0.00 61.00 63.46 3bmz s PRO 97 Cb -0.15 -2.61 -0.02 0.00 0.02 0.00 0.00 34.50 31.74 3bmz s PRO 97 CO -0.15 -0.75 0.43 -0.51 -0.33 0.00 0.00 177.00 175.68 3bmz s LEU 98 N -2.77 4.09 0.46 -5.54 1.43 -0.35 -4.87 118.68 111.14 3bmz s LEU 98 Ca 0.61 -0.10 -0.25 0.00 -1.03 0.00 0.00 54.13 53.37 3bmz s LEU 98 Cb -0.40 -2.78 -0.08 0.00 0.03 0.00 0.00 46.19 42.96 3bmz s LEU 98 CO 0.51 -0.30 1.38 -1.81 0.23 0.00 0.00 176.35 176.36 3bmz s ASP 99 N -4.10 5.85 0.50 2.29 1.01 -1.26 -4.53 116.67 116.43 3bmz s ASP 99 Ca 0.41 2.82 -0.22 0.00 0.71 0.00 0.00 52.55 56.26 3bmz s ASP 99 Cb -0.09 -2.65 -0.07 0.00 1.01 0.00 0.00 42.92 41.12 3bmz s ASP 99 CO 0.30 -1.18 1.17 0.47 0.21 0.00 0.00 175.17 176.14 3bmz n ASP 100 N -0.31 1.90 -4.37 0.27 8.00 -1.26 -4.71 116.55 116.08 3bmz n ASP 100 Ca 0.06 0.98 -0.32 0.00 0.71 0.00 0.00 54.79 56.22 3bmz n ASP 100 Cb 0.43 -1.47 -0.15 0.00 -0.02 0.00 0.00 41.12 39.91 3bmz n ASP 100 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3bmz s GLU 101 N -2.50 2.39 0.16 -1.24 2.12 -0.34 -4.97 118.70 114.30 3bmz s GLU 101 Ca 0.68 -0.83 0.08 0.00 0.36 0.00 0.00 54.97 55.26 3bmz s GLU 101 Cb -0.47 -2.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.67 3bmz s GLU 101 CO 0.52 0.54 -0.18 0.95 -0.54 0.00 0.00 175.26 176.55 3bmz s THR 102 N -0.53 1.79 0.08 -1.70 -4.23 -1.26 -0.34 115.64 109.45 3bmz s THR 102 Ca 0.07 -1.89 -0.19 0.00 -1.18 0.00 0.00 61.69 58.51 3bmz s THR 102 Cb -0.11 -1.81 0.07 0.00 1.34 0.00 0.00 72.50 71.98 3bmz s THR 102 CO 0.01 -0.30 0.89 0.61 -0.54 0.00 0.00 174.62 175.28 3bmz n GLY 103 N 0.35 0.57 3.79 3.99 0.00 -0.91 -4.99 105.19 107.99 3bmz n GLY 103 Ca -0.14 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 3bmz n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bmz s PRO 104 N -2.03 3.50 -0.36 1.61 0.04 -1.26 -0.94 135.00 135.57 3bmz s PRO 104 Ca 0.20 1.43 0.04 0.00 0.04 0.00 0.00 61.00 62.72 3bmz s PRO 104 Cb -0.02 -2.04 0.16 0.00 0.04 0.00 0.00 34.50 32.65 3bmz s PRO 104 CO 0.02 -0.69 0.46 0.12 0.04 0.00 0.00 177.00 176.95 3bmz s PHE 105 N -2.00 -0.92 -0.25 0.56 5.36 0.33 -4.56 117.98 116.51 3bmz s PHE 105 Ca 0.69 -0.17 0.21 0.00 -0.96 0.00 0.00 56.93 56.70 3bmz s PHE 105 Cb -0.19 -0.13 0.05 0.00 -0.34 0.00 0.00 43.02 42.41 3bmz s PHE 105 CO 0.26 -1.03 1.15 0.00 -1.46 0.00 0.00 175.22 174.14 3bmz h ALA 106 N 7.38 0.64 -2.68 11.12 0.00 -1.92 -3.34 119.26 130.46 3bmz h ALA 106 Ca 0.01 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3bmz h ALA 106 Cb 1.11 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.80 3bmz h ALA 106 CO 0.19 0.22 -0.08 -1.83 0.00 0.00 0.00 179.25 177.75 3bmz s GLU 107 N -3.22 1.02 0.68 0.00 -1.05 -1.26 -4.95 118.70 109.92 3bmz s GLU 107 Ca 0.01 -0.60 -0.15 0.00 -0.15 0.00 0.00 54.97 54.08 3bmz s GLU 107 Cb 0.08 0.45 0.01 0.00 -0.44 0.00 0.00 34.13 34.24 3bmz s GLU 107 CO 0.77 -0.39 1.14 -0.51 0.95 0.00 0.00 175.26 177.22 3bmz s LEU 108 N -2.55 3.38 0.45 1.83 1.43 -1.26 -4.92 118.68 117.03 3bmz s LEU 108 Ca 0.00 2.11 0.12 0.00 -1.03 0.00 0.00 54.13 55.34 3bmz s LEU 108 Cb 0.01 -4.56 1.00 0.00 0.03 0.00 0.00 46.19 42.67 3bmz s LEU 108 CO -0.09 -1.82 2.04 -0.26 0.23 0.00 0.00 176.35 176.46 3bmz h PHE 109 N -0.04 0.20 -2.70 0.29 0.04 -2.00 -3.31 116.94 109.43 3bmz h PHE 109 Ca -0.47 -0.01 -0.59 0.00 2.80 0.00 0.00 57.97 59.70 3bmz h PHE 109 Cb 1.26 -0.06 -0.39 0.00 2.20 0.00 0.00 35.95 38.96 3bmz h PHE 109 CO 0.52 0.21 -0.82 -1.17 -0.60 0.00 0.00 178.31 176.45 3bmz s LEU 110 N -9.04 1.64 0.52 1.54 2.96 -1.26 -5.13 118.68 109.90 3bmz s LEU 110 Ca -0.06 -2.45 -0.23 0.00 -0.22 0.00 0.00 54.13 51.18 3bmz s LEU 110 Cb 0.16 -0.63 -0.06 0.00 0.50 0.00 0.00 46.19 46.17 3bmz s LEU 110 CO 0.71 -0.28 1.36 -2.65 -1.32 0.00 0.00 176.35 174.17 3bmz n PRO 111 N 3.72 1.82 -0.23 0.98 -0.02 -1.25 -4.89 135.00 135.13 3bmz n PRO 111 Ca 0.13 0.66 0.08 0.00 -2.02 0.00 0.00 63.50 62.35 3bmz n PRO 111 Cb 0.37 -2.57 0.34 0.00 -0.02 0.00 0.00 33.50 31.63 3bmz n PRO 111 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3bmz h ARG 112 N 1.64 0.76 -0.55 -0.52 2.43 -1.94 -2.11 114.38 114.08 3bmz h ARG 112 Ca -0.51 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 58.57 3bmz h ARG 112 Cb 1.30 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 3bmz h ARG 112 CO 0.58 0.50 0.06 -0.40 -1.51 0.00 0.00 179.97 179.20 3bmz n ASP 113 N -4.50 5.17 -0.35 -3.80 5.75 -1.26 -1.43 116.55 116.13 3bmz n ASP 113 Ca 0.13 -3.04 0.05 0.00 -0.01 0.00 0.00 54.79 51.93 3bmz n ASP 113 Cb 0.29 -0.68 0.21 0.00 -1.03 0.00 0.00 41.12 39.91 3bmz n ASP 113 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 3bmz h VAL 114 N 3.26 0.96 -0.27 2.12 3.04 -1.73 0.27 116.25 123.91 3bmz h VAL 114 Ca 0.06 -0.34 -0.16 0.00 -1.01 0.00 0.00 66.70 65.25 3bmz h VAL 114 Cb 1.97 -0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 31.11 3bmz h VAL 114 CO 0.50 0.18 -0.48 -0.07 -1.01 0.00 0.00 177.57 176.69 3bmz h LEU 115 N 1.01 0.79 -0.05 3.16 3.38 -1.83 -1.10 115.31 120.66 3bmz h LEU 115 Ca 0.46 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3bmz h LEU 115 Cb 0.38 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3bmz h LEU 115 CO -0.24 1.14 -0.08 0.03 0.09 0.00 0.00 178.44 179.39 3bmz h ARG 116 N 0.57 0.15 -0.17 1.13 3.08 -1.64 0.50 114.38 118.01 3bmz h ARG 116 Ca 0.03 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 3bmz h ARG 116 Cb 1.05 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 3bmz h ARG 116 CO 0.10 0.64 -0.45 0.00 -1.07 0.00 0.00 179.97 179.19 3bmz h ARG 117 N -0.33 0.42 -0.30 0.04 2.47 -0.93 -2.86 114.38 112.87 3bmz h ARG 117 Ca 0.01 -0.22 0.00 0.00 -1.26 0.00 0.00 59.98 58.50 3bmz h ARG 117 Cb 0.62 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 3bmz h ARG 117 CO 0.02 0.79 0.00 1.28 0.56 0.00 0.00 179.97 182.61 3bmz n LEU 118 N -4.00 2.62 -2.22 3.04 4.77 -0.42 -4.97 117.00 115.81 3bmz n LEU 118 Ca -0.02 -1.13 -0.11 0.00 -0.03 0.00 0.00 56.01 54.72 3bmz n LEU 118 Cb 0.53 -0.20 0.05 0.00 -2.33 0.00 0.00 43.42 41.47 3bmz n LEU 118 CO 0.44 0.57 0.09 0.61 -1.33 0.00 0.00 177.39 177.77 3bmz n GLY 119 N 1.32 0.08 3.75 -0.72 0.00 -1.01 -4.43 105.19 104.19 3bmz n GLY 119 Ca 0.18 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3bmz n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bmz s ALA 120 N -3.18 2.64 0.01 4.61 0.00 0.14 -4.87 121.76 121.11 3bmz s ALA 120 Ca 0.15 1.09 0.07 0.00 0.00 0.00 0.00 51.96 53.26 3bmz s ALA 120 Cb -0.06 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 3bmz s ALA 120 CO 0.39 -1.18 -0.19 -0.98 0.00 0.00 0.00 175.76 173.79 3bmz s ARG 121 N -3.17 2.15 -0.14 0.00 1.70 -0.17 -4.71 118.95 114.60 3bmz s ARG 121 Ca 0.75 -0.92 -0.29 0.00 -0.47 0.00 0.00 55.73 54.79 3bmz s ARG 121 Cb -0.33 -2.19 -0.02 0.00 -0.57 0.00 0.00 34.95 31.84 3bmz s ARG 121 CO 0.37 0.56 1.27 -1.58 -1.08 0.00 0.00 175.30 174.83 3bmz s HIS 122 N -0.83 2.87 -1.69 5.89 5.65 -1.26 -0.89 115.29 125.03 3bmz s HIS 122 Ca 0.13 1.01 0.18 0.00 0.25 0.00 0.00 55.06 56.63 3bmz s HIS 122 Cb -0.10 -3.51 0.42 0.00 -1.18 0.00 0.00 32.58 28.20 3bmz s HIS 122 CO 0.03 -1.72 1.34 0.44 -0.65 0.00 0.00 174.74 174.18 3bmz n ILE 123 N 5.25 0.76 0.00 0.89 -5.35 0.02 -4.97 119.36 115.96 3bmz n ILE 123 Ca 0.14 -0.88 0.00 0.00 -0.27 0.00 0.00 62.75 61.73 3bmz n ILE 123 Cb 0.45 0.71 0.00 0.00 -1.74 0.00 0.00 39.64 39.06 3bmz n ILE 123 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3bmz n GLY 124 N 1.12 1.39 3.88 3.28 0.00 -1.26 -4.95 105.19 108.65 3bmz n GLY 124 Ca 0.17 -2.25 -0.31 0.00 0.00 0.00 0.00 46.02 43.63 3bmz n GLY 124 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bmz s ARG 125 N -1.34 3.76 -0.10 1.61 1.81 -1.26 -1.25 118.95 122.19 3bmz s ARG 125 Ca 0.00 0.24 -0.16 0.00 -1.72 0.00 0.00 55.73 54.09 3bmz s ARG 125 Cb 0.00 -2.61 0.04 0.00 -0.45 0.00 0.00 34.95 31.93 3bmz s ARG 125 CO 0.00 0.24 0.39 0.50 -0.68 0.00 0.00 175.30 175.75 3bmz s ARG 126 N -3.15 0.59 -0.20 3.54 3.52 -0.22 -4.93 118.95 118.10 3bmz s ARG 126 Ca 0.47 0.27 -0.26 0.00 -0.13 0.00 0.00 55.73 56.08 3bmz s ARG 126 Cb -0.11 0.27 -0.01 0.00 -1.56 0.00 0.00 34.95 33.55 3bmz s ARG 126 CO 0.25 -0.12 0.88 0.08 -0.81 0.00 0.00 175.30 175.57 3bmz s VAL 127 N -0.44 4.83 -0.07 7.11 1.01 -1.26 -0.64 120.40 130.94 3bmz s VAL 127 Ca -0.06 1.71 0.01 0.00 0.00 0.00 0.00 61.98 63.64 3bmz s VAL 127 Cb -0.03 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.19 3bmz s VAL 127 CO 0.03 -0.04 -0.06 -0.69 0.00 0.00 0.00 175.10 174.33 3bmz s VAL 128 N 2.53 0.75 -1.53 2.92 1.01 -0.13 -4.76 120.40 121.19 3bmz s VAL 128 Ca 0.39 -0.20 -0.13 0.00 0.00 0.00 0.00 61.98 62.04 3bmz s VAL 128 Cb -0.16 -0.77 0.08 0.00 0.00 0.00 0.00 36.38 35.54 3bmz s VAL 128 CO 0.10 0.29 0.95 0.18 0.00 0.00 0.00 175.10 176.63 3bmz n LEU 129 N 4.36 -2.54 -0.12 3.92 4.77 -1.26 -1.28 117.00 124.85 3bmz n LEU 129 Ca -0.19 -0.79 -0.02 0.00 -0.03 0.00 0.00 56.01 54.98 3bmz n LEU 129 Cb 0.51 -2.54 -0.01 0.00 -2.33 0.00 0.00 43.42 39.05 3bmz n LEU 129 CO 0.20 0.46 -0.02 0.61 -1.33 0.00 0.00 177.39 177.32 3bmz n GLY 130 N -1.68 0.39 3.29 -0.72 0.00 -1.26 -4.99 105.19 100.22 3bmz n GLY 130 Ca 0.02 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 3bmz n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bmz s ARG 131 N -1.30 1.51 0.02 1.61 0.52 -0.40 -5.10 118.95 115.81 3bmz s ARG 131 Ca 0.00 -1.04 -0.30 0.00 -0.52 0.00 0.00 55.73 53.87 3bmz s ARG 131 Cb 0.00 -1.68 -0.07 0.00 0.52 0.00 0.00 34.95 33.72 3bmz s ARG 131 CO 0.00 0.43 1.59 -2.00 0.02 0.00 0.00 175.30 175.34 3bmz s GLU 132 N -1.30 4.21 0.07 3.54 2.56 -1.26 -0.96 118.70 125.57 3bmz s GLU 132 Ca 0.09 2.21 0.07 0.00 0.00 0.00 0.00 54.97 57.34 3bmz s GLU 132 Cb -0.09 -3.69 -0.03 0.00 2.00 0.00 0.00 34.13 32.32 3bmz s GLU 132 CO 0.02 -0.72 -0.19 0.00 -0.56 0.00 0.00 175.26 173.81 3bmz s ALA 133 N 2.92 1.64 -0.15 6.30 0.00 0.18 -1.15 121.76 131.50 3bmz s ALA 133 Ca 0.71 -1.09 -0.17 0.00 0.00 0.00 0.00 51.96 51.41 3bmz s ALA 133 Cb -0.36 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 3bmz s ALA 133 CO 0.30 0.34 0.46 -0.51 0.00 0.00 0.00 175.76 176.34 3bmz s ASP 134 N -1.51 6.60 -0.18 0.00 1.01 0.54 -1.06 116.67 122.08 3bmz s ASP 134 Ca 0.05 0.71 -0.17 0.00 0.71 0.00 0.00 52.55 53.85 3bmz s ASP 134 Cb -0.09 -2.27 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 3bmz s ASP 134 CO 0.03 -0.04 0.45 -0.83 0.21 0.00 0.00 175.17 174.99 3bmz s GLY 135 N 0.77 2.16 -0.21 0.21 0.00 -0.38 -1.20 107.32 108.67 3bmz s GLY 135 Ca 0.24 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 44.57 3bmz s GLY 135 CO 0.09 0.88 -0.16 -0.98 0.00 0.00 0.00 173.10 172.93 3bmz s TRP 136 N 1.23 2.91 -0.10 1.90 0.52 -0.12 -0.80 118.94 124.49 3bmz s TRP 136 Ca 0.22 -1.88 -0.00 0.00 0.02 0.00 0.00 56.10 54.46 3bmz s TRP 136 Cb -0.15 -1.89 -0.03 0.00 -1.15 0.00 0.00 33.47 30.25 3bmz s TRP 136 CO 0.09 -0.83 -0.07 0.50 0.02 0.00 0.00 176.95 176.66 3bmz s ARG 137 N 1.23 3.04 0.14 4.98 3.52 -0.07 -0.78 118.95 131.02 3bmz s ARG 137 Ca -0.01 -0.56 -0.11 0.00 -0.13 0.00 0.00 55.73 54.92 3bmz s ARG 137 Cb -0.16 -2.67 0.01 0.00 -1.56 0.00 0.00 34.95 30.57 3bmz s ARG 137 CO -0.10 0.51 0.31 1.52 -0.81 0.00 0.00 175.30 176.74 3bmz s TYR 138 N -0.39 0.16 -0.20 5.12 1.13 -0.32 -1.00 117.35 121.85 3bmz s TYR 138 Ca 0.06 -0.53 -0.11 0.00 -1.41 0.00 0.00 57.07 55.07 3bmz s TYR 138 Cb -0.12 0.06 -0.05 0.00 -1.10 0.00 0.00 41.96 40.75 3bmz s TYR 138 CO 0.02 -0.70 0.17 -1.14 -2.51 0.00 0.00 175.55 171.39 3bmz s GLN 139 N -3.90 4.18 -0.49 -3.49 2.00 -1.26 -0.81 119.66 115.89 3bmz s GLN 139 Ca 0.10 -0.17 -0.25 0.00 -2.00 0.00 0.00 55.36 53.05 3bmz s GLN 139 Cb 0.03 -3.45 0.03 0.00 0.80 0.00 0.00 33.01 30.42 3bmz s GLN 139 CO -0.05 0.23 0.90 1.03 -0.50 0.00 0.00 175.29 176.90 3bmz s ARG 140 N 0.55 3.44 0.01 1.67 0.52 0.20 -4.95 118.95 120.40 3bmz s ARG 140 Ca 0.10 -0.02 -0.36 0.00 -0.52 0.00 0.00 55.73 54.92 3bmz s ARG 140 Cb -0.12 -3.97 -0.15 0.00 0.52 0.00 0.00 34.95 31.23 3bmz s ARG 140 CO 0.01 -1.28 1.57 -0.35 0.02 0.00 0.00 175.30 175.27 3bmz n PRO 141 N 7.16 1.61 -1.08 3.54 -0.04 -1.26 -1.09 135.00 143.83 3bmz n PRO 141 Ca 0.04 0.58 -0.03 0.00 -0.04 0.00 0.00 63.50 64.05 3bmz n PRO 141 Cb 0.48 -2.30 -0.01 0.00 -0.04 0.00 0.00 33.50 31.63 3bmz n PRO 141 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bmz n GLY 142 N 3.40 0.55 1.46 0.55 0.00 -1.26 -4.82 105.19 105.06 3bmz n GLY 142 Ca 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3bmz n GLY 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bmz n LYS 143 N -1.95 0.00 -2.23 1.61 5.02 -0.25 -5.18 118.16 115.18 3bmz n LYS 143 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 3bmz n LYS 143 Cb 0.21 -0.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.94 3bmz n LYS 143 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bmz n GLY 144 N 2.61 -0.96 3.85 0.72 0.00 -0.93 -5.01 105.19 105.47 3bmz n GLY 144 Ca 0.00 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 3bmz n GLY 144 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bmz s PRO 145 N -1.68 3.59 0.04 1.61 0.04 -1.26 -0.63 135.00 136.72 3bmz s PRO 145 Ca 0.00 0.85 0.00 0.00 0.04 0.00 0.00 61.00 61.90 3bmz s PRO 145 Cb 0.00 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 3bmz s PRO 145 CO 0.00 -0.57 -0.04 -1.12 0.04 0.00 0.00 177.00 175.31 3bmz s SER 146 N -3.78 0.50 -0.11 6.66 0.01 0.01 -0.29 113.70 116.71 3bmz s SER 146 Ca 0.57 -0.66 -0.00 0.00 1.31 0.00 0.00 55.95 57.17 3bmz s SER 146 Cb -0.11 0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.25 3bmz s SER 146 CO 0.47 -0.35 -0.07 -0.89 0.41 0.00 0.00 173.24 172.81 3bmz s THR 147 N -2.13 0.95 -0.21 1.44 2.01 0.04 -1.17 115.64 116.55 3bmz s THR 147 Ca -0.08 -0.24 -0.07 0.00 0.31 0.00 0.00 61.69 61.61 3bmz s THR 147 Cb -0.05 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 3bmz s THR 147 CO -0.03 0.35 0.05 -0.22 -0.69 0.00 0.00 174.62 174.08 3bmz s LEU 148 N 1.69 3.50 -0.25 4.42 2.96 0.04 -0.48 118.68 130.56 3bmz s LEU 148 Ca 0.04 -0.12 -0.11 0.00 -0.22 0.00 0.00 54.13 53.72 3bmz s LEU 148 Cb -0.13 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.61 3bmz s LEU 148 CO -0.07 0.06 0.18 -0.31 -1.32 0.00 0.00 176.35 174.89 3bmz s TYR 149 N 1.05 3.28 -0.01 5.38 2.02 0.33 -0.95 117.35 128.46 3bmz s TYR 149 Ca 0.03 0.20 0.03 0.00 -0.37 0.00 0.00 57.07 56.97 3bmz s TYR 149 Cb -0.14 -2.33 -0.03 0.00 -0.40 0.00 0.00 41.96 39.06 3bmz s TYR 149 CO 0.03 -0.03 -0.07 -0.51 -1.57 0.00 0.00 175.55 173.39 3bmz s LEU 150 N 1.35 3.13 0.12 -1.29 1.43 -0.34 -0.61 118.68 122.46 3bmz s LEU 150 Ca 0.08 -0.13 -0.33 0.00 -1.03 0.00 0.00 54.13 52.72 3bmz s LEU 150 Cb -0.15 -1.77 -0.12 0.00 0.03 0.00 0.00 46.19 44.19 3bmz s LEU 150 CO 0.07 0.30 1.74 -0.67 0.23 0.00 0.00 176.35 178.03 3bmz n ASP 151 N 1.72 3.65 0.28 2.29 -0.08 0.26 -0.34 116.55 124.34 3bmz n ASP 151 Ca -0.16 1.03 0.17 0.00 -1.51 0.00 0.00 54.79 54.32 3bmz n ASP 151 Cb 0.53 -1.49 0.74 0.00 2.34 0.00 0.00 41.12 43.24 3bmz n ASP 151 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3bmz h ALA 152 N 7.53 1.01 0.03 -1.67 0.00 -1.45 0.32 119.26 125.03 3bmz h ALA 152 Ca -0.46 -0.02 -0.37 0.00 0.00 0.00 0.00 54.91 54.06 3bmz h ALA 152 Cb 1.24 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 3bmz h ALA 152 CO 0.93 0.03 -2.10 0.00 0.00 0.00 0.00 179.25 178.11 3bmz n ALA 153 N -2.11 1.09 0.18 0.00 0.00 -1.26 -4.69 120.51 113.71 3bmz n ALA 153 Ca -0.00 -0.84 0.11 0.00 0.00 0.00 0.00 53.44 52.71 3bmz n ALA 153 Cb 0.28 -0.28 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 3bmz n ALA 153 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3bmz n SER 154 N -3.88 0.24 0.00 0.00 3.41 -1.21 -4.99 113.62 107.20 3bmz n SER 154 Ca -0.42 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.05 3bmz n SER 154 Cb 0.90 1.68 0.00 0.00 -0.26 0.00 0.00 64.21 66.53 3bmz n SER 154 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bmz n GLY 155 N 1.30 0.45 3.85 5.00 0.00 0.10 -4.98 105.19 110.91 3bmz n GLY 155 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3bmz n GLY 155 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bmz s THR 156 N -2.02 4.70 0.38 2.61 -4.23 -1.26 -4.41 115.64 111.40 3bmz s THR 156 Ca 0.00 0.89 -0.27 0.00 -1.18 0.00 0.00 61.69 61.13 3bmz s THR 156 Cb 0.00 -3.64 -0.09 0.00 1.34 0.00 0.00 72.50 70.11 3bmz s THR 156 CO 0.00 -0.26 1.34 -2.16 -0.54 0.00 0.00 174.62 172.99 3bmz s PRO 157 N -3.18 4.07 -0.04 3.99 0.04 -1.26 -0.57 135.00 138.05 3bmz s PRO 157 Ca 0.54 2.24 -0.00 0.00 0.04 0.00 0.00 61.00 63.82 3bmz s PRO 157 Cb -0.10 -2.86 -0.03 0.00 0.04 0.00 0.00 34.50 31.55 3bmz s PRO 157 CO 0.20 -0.44 -0.04 1.28 0.04 0.00 0.00 177.00 178.04 3bmz n LEU 158 N 0.33 2.64 -3.70 -3.56 4.77 0.22 -4.69 117.00 113.00 3bmz n LEU 158 Ca 0.02 -0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.88 3bmz n LEU 158 Cb 0.42 -0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.26 3bmz n LEU 158 CO 0.58 0.51 0.13 -0.60 -1.33 0.00 0.00 177.39 176.68 3bmz s ARG 159 N -2.09 0.50 -0.20 3.23 3.52 -1.11 -1.14 118.95 121.66 3bmz s ARG 159 Ca -0.06 0.78 -0.04 0.00 -0.13 0.00 0.00 55.73 56.28 3bmz s ARG 159 Cb 0.02 0.13 -0.02 0.00 -1.56 0.00 0.00 34.95 33.51 3bmz s ARG 159 CO 0.10 -0.12 -0.02 1.41 -0.81 0.00 0.00 175.30 175.86 3bmz s MET 160 N 0.91 3.53 -0.28 5.12 -2.45 0.23 -0.52 119.30 125.85 3bmz s MET 160 Ca -0.05 -0.56 -0.08 0.00 -1.25 0.00 0.00 55.69 53.74 3bmz s MET 160 Cb -0.06 -3.02 -0.01 0.00 1.25 0.00 0.00 34.83 32.99 3bmz s MET 160 CO -0.08 -0.03 0.10 0.08 1.05 0.00 0.00 175.02 176.14 3bmz s VAL 161 N 1.09 4.35 -0.33 10.11 1.01 0.37 -1.28 120.40 135.72 3bmz s VAL 161 Ca 0.02 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 3bmz s VAL 161 Cb -0.14 -3.14 0.04 0.00 0.00 0.00 0.00 36.38 33.13 3bmz s VAL 161 CO 0.01 0.20 0.09 -0.89 0.00 0.00 0.00 175.10 174.50 3bmz s THR 162 N 1.59 3.71 0.00 3.92 2.01 -0.15 -0.78 115.64 125.95 3bmz s THR 162 Ca 0.05 -1.09 0.00 0.00 0.31 0.00 0.00 61.69 60.96 3bmz s THR 162 Cb -0.16 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.27 3bmz s THR 162 CO 0.04 -0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.45 3bmz n GLY 163 N 4.80 -2.15 3.54 4.40 0.00 0.61 -1.14 105.19 115.25 3bmz n GLY 163 Ca -0.13 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.29 3bmz n GLY 163 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bmz s ASP 164 N -1.28 6.41 0.58 1.61 -1.08 -1.15 -4.45 116.67 117.31 3bmz s ASP 164 Ca 0.00 -0.09 0.27 0.00 -0.52 0.00 0.00 52.55 52.22 3bmz s ASP 164 Cb 0.00 -2.37 1.58 0.00 -1.46 0.00 0.00 42.92 40.67 3bmz s ASP 164 CO 0.00 -0.84 2.08 -0.08 0.52 0.00 0.00 175.17 176.84 3bmz h GLU 165 N 8.86 0.00 -0.29 4.34 4.81 -1.91 0.58 114.58 130.98 3bmz h GLU 165 Ca -0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3bmz h GLU 165 Cb 1.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.47 3bmz h GLU 165 CO 0.93 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 179.21 3bmz n ALA 166 N -2.39 2.47 0.10 2.92 0.00 -1.26 -4.53 120.51 117.82 3bmz n ALA 166 Ca 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.83 3bmz n ALA 166 Cb 0.37 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3bmz n ALA 166 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3bmz n SER 167 N 0.56 0.01 -3.50 0.00 3.41 -0.44 -5.07 113.62 108.59 3bmz n SER 167 Ca 0.15 0.33 0.01 0.00 -0.26 0.00 0.00 58.87 59.10 3bmz n SER 167 Cb 0.35 0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 64.49 3bmz n SER 167 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3bmz s ARG 168 N -2.00 0.45 0.01 4.33 6.06 0.07 -4.43 118.95 123.44 3bmz s ARG 168 Ca 0.00 1.11 -0.14 0.00 -2.50 0.00 0.00 55.73 54.20 3bmz s ARG 168 Cb 0.00 0.66 0.02 0.00 0.06 0.00 0.00 34.95 35.69 3bmz s ARG 168 CO 0.00 -0.19 0.30 0.00 -2.50 0.00 0.00 175.30 172.91 3bmz s ALA 169 N 2.72 -0.72 0.08 6.12 0.00 0.07 -2.91 121.76 127.12 3bmz s ALA 169 Ca -0.03 0.18 -0.15 0.00 0.00 0.00 0.00 51.96 51.96 3bmz s ALA 169 Cb -0.10 0.17 -0.06 0.00 0.00 0.00 0.00 23.12 23.13 3bmz s ALA 169 CO -0.18 -0.32 0.50 -1.54 0.00 0.00 0.00 175.76 174.22 3bmz s SER 170 N -1.63 6.86 -0.07 0.00 1.04 -0.29 -0.61 113.70 119.00 3bmz s SER 170 Ca -0.10 1.06 0.05 0.00 0.48 0.00 0.00 55.95 57.44 3bmz s SER 170 Cb -0.03 -2.28 -0.01 0.00 0.10 0.00 0.00 66.02 63.79 3bmz s SER 170 CO 0.01 0.21 -0.24 -0.76 0.98 0.00 0.00 173.24 173.45 3bmz s LEU 171 N -1.50 2.11 -0.10 2.42 1.02 -0.02 -0.97 118.68 121.63 3bmz s LEU 171 Ca 0.31 -0.52 -0.00 0.00 0.02 0.00 0.00 54.13 53.94 3bmz s LEU 171 Cb -0.16 -1.40 0.02 0.00 0.02 0.00 0.00 46.19 44.67 3bmz s LEU 171 CO 0.17 0.21 -0.07 -0.13 0.02 0.00 0.00 176.35 176.56 3bmz s ARG 172 N 0.02 1.45 -0.01 1.70 0.52 -0.40 -0.81 118.95 121.41 3bmz s ARG 172 Ca -0.09 -0.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 3bmz s ARG 172 Cb -0.15 -1.49 -0.04 0.00 0.52 0.00 0.00 34.95 33.79 3bmz s ARG 172 CO 0.06 -0.23 0.04 -0.51 0.02 0.00 0.00 175.30 174.67 3bmz s ASP 173 N 1.58 5.38 -0.54 0.23 1.01 0.24 -0.60 116.67 123.97 3bmz s ASP 173 Ca 0.02 0.07 0.04 0.00 0.71 0.00 0.00 52.55 53.39 3bmz s ASP 173 Cb -0.13 -1.48 0.15 0.00 1.01 0.00 0.00 42.92 42.47 3bmz s ASP 173 CO -0.06 0.28 0.32 -0.36 0.21 0.00 0.00 175.17 175.57 3bmz s PHE 174 N -1.12 2.77 -0.80 4.23 0.08 -0.29 -1.32 117.98 121.52 3bmz s PHE 174 Ca 0.20 -2.93 0.26 0.00 0.12 0.00 0.00 56.93 54.58 3bmz s PHE 174 Cb -0.12 -2.36 0.95 0.00 -0.57 0.00 0.00 43.02 40.92 3bmz s PHE 174 CO 0.11 -0.71 1.79 -2.30 -0.10 0.00 0.00 175.22 174.01 3bmz n PRO 175 N 2.91 0.15 -2.83 0.24 -0.02 -1.25 -4.33 135.00 129.87 3bmz n PRO 175 Ca 0.12 0.18 -0.11 0.00 -2.02 0.00 0.00 63.50 61.67 3bmz n PRO 175 Cb 0.35 -1.69 0.04 0.00 -0.02 0.00 0.00 33.50 32.17 3bmz n PRO 175 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3bmz n ASN 176 N -1.96 0.19 -4.73 2.55 6.94 -1.26 -5.06 115.26 111.94 3bmz n ASN 176 Ca 0.05 -2.88 -0.42 0.00 -0.02 0.00 0.00 54.58 51.31 3bmz n ASN 176 Cb 0.35 0.03 -0.03 0.00 -2.36 0.00 0.00 39.78 37.77 3bmz n ASN 176 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3bmz s VAL 177 N -1.91 2.35 -0.03 3.53 1.01 -1.26 -4.58 120.40 119.52 3bmz s VAL 177 Ca 0.29 0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.60 3bmz s VAL 177 Cb 0.40 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 3bmz s VAL 177 CO -0.03 0.03 -0.22 -0.55 0.00 0.00 0.00 175.10 174.33 3bmz s SER 178 N 1.00 3.39 -0.13 3.32 0.15 0.38 -4.96 113.70 116.85 3bmz s SER 178 Ca 0.70 -0.38 0.18 0.00 0.70 0.00 0.00 55.95 57.15 3bmz s SER 178 Cb -0.46 -0.54 0.72 0.00 -1.71 0.00 0.00 66.02 64.03 3bmz s SER 178 CO 0.35 0.33 1.63 -0.62 1.20 0.00 0.00 173.24 176.13 3bmz n GLU 179 N 2.42 3.85 -1.14 5.44 1.02 -1.26 -1.18 120.64 129.78 3bmz n GLU 179 Ca -0.16 -2.91 -0.31 0.00 -0.02 0.00 0.00 57.16 53.75 3bmz n GLU 179 Cb 0.51 -1.93 0.11 0.00 -0.02 0.00 0.00 31.44 30.12 3bmz n GLU 179 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bmz s ALA 180 N -1.98 2.04 0.36 0.62 0.00 -1.26 -4.86 121.76 116.69 3bmz s ALA 180 Ca 0.51 0.40 -0.27 0.00 0.00 0.00 0.00 51.96 52.60 3bmz s ALA 180 Cb 0.34 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 20.01 3bmz s ALA 180 CO 0.23 -2.02 1.26 -1.91 0.00 0.00 0.00 175.76 173.32 3bmz n GLU 181 N -3.62 2.03 -3.97 0.00 2.13 -1.26 -4.84 120.64 111.10 3bmz n GLU 181 Ca 0.10 0.71 -0.35 0.00 0.66 0.00 0.00 57.16 58.28 3bmz n GLU 181 Cb 0.53 -2.31 -0.13 0.00 0.27 0.00 0.00 31.44 29.80 3bmz n GLU 181 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3bmz s ILE 182 N -1.12 3.89 0.66 6.31 1.01 -1.26 -5.10 121.20 125.58 3bmz s ILE 182 Ca 0.57 -0.33 -0.17 0.00 0.00 0.00 0.00 60.65 60.72 3bmz s ILE 182 Cb -0.56 -2.77 -0.00 0.00 0.01 0.00 0.00 42.46 39.14 3bmz s ILE 182 CO 0.61 0.41 1.23 -2.84 0.00 0.00 0.00 174.94 174.35 3bmz s PRO 183 N 1.25 2.54 0.28 2.79 0.02 -1.26 -4.91 135.00 135.71 3bmz s PRO 183 Ca 0.04 1.86 0.02 0.00 0.02 0.00 0.00 61.00 62.93 3bmz s PRO 183 Cb -0.15 -1.87 0.65 0.00 0.02 0.00 0.00 34.50 33.15 3bmz s PRO 183 CO 0.01 -1.55 1.74 -0.44 -0.33 0.00 0.00 177.00 176.44 3bmz h ASP 184 N 0.33 0.53 -0.09 2.53 3.32 -2.01 -2.15 116.42 118.89 3bmz h ASP 184 Ca -0.49 0.11 0.03 0.00 0.02 0.00 0.00 57.03 56.69 3bmz h ASP 184 Cb 1.31 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.89 3bmz h ASP 184 CO 0.53 0.16 0.07 0.00 -1.72 0.00 0.00 179.24 178.28 3bmz h ALA 185 N 1.63 1.90 -0.56 3.45 0.00 -2.00 -1.41 119.26 122.26 3bmz h ALA 185 Ca 0.52 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.46 3bmz h ALA 185 Cb 0.85 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3bmz h ALA 185 CO -0.42 -0.12 0.37 0.28 0.00 0.00 0.00 179.25 179.36 3bmz h VAL 186 N 0.00 1.08 -0.44 0.00 2.07 -1.75 -2.79 116.25 114.41 3bmz h VAL 186 Ca 0.04 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3bmz h VAL 186 Cb 0.19 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3bmz h VAL 186 CO -0.00 0.12 0.00 0.49 0.02 0.00 0.00 177.57 178.20 3bmz n PHE 187 N -4.47 0.58 -0.30 1.57 3.72 -0.55 -4.66 117.46 113.36 3bmz n PHE 187 Ca 0.06 -0.36 0.09 0.00 -0.05 0.00 0.00 57.45 57.19 3bmz n PHE 187 Cb 0.12 -0.01 0.30 0.00 -0.94 0.00 0.00 39.48 38.96 3bmz n PHE 187 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3bmz h ALA 188 N 3.63 1.66 0.00 4.37 0.00 -1.34 -3.51 119.26 124.07 3bmz h ALA 188 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3bmz h ALA 188 Cb 0.88 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3bmz h ALA 188 CO 0.00 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.37