#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nbb n ASP 2 N 0.00 0.00 0.11 0.00 5.68 -1.26 -5.03 116.55 116.05 1nbb n ASP 2 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1nbb n ASP 2 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1nbb n ASP 2 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1nbb n THR 3 N 0.00 0.24 -0.35 2.12 5.66 -1.26 -4.78 114.28 115.91 1nbb n THR 3 Ca 0.00 0.08 0.03 0.00 -3.05 0.00 0.00 64.05 61.11 1nbb n THR 3 Cb 0.00 -0.67 0.20 0.00 -1.55 0.00 0.00 70.33 68.31 1nbb n THR 3 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1nbb h LYS 4 N 0.00 1.09 -0.42 1.09 3.64 -1.98 0.16 116.57 120.16 1nbb h LYS 4 Ca 0.00 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.21 1nbb h LYS 4 Cb 0.00 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 1nbb h LYS 4 CO 0.00 0.72 -0.14 1.49 -2.27 0.00 0.00 179.45 179.25 1nbb h GLU 5 N 1.12 0.84 -0.17 1.90 4.81 -1.99 0.97 114.58 122.08 1nbb h GLU 5 Ca 0.42 -0.34 -0.21 0.00 -0.13 0.00 0.00 59.36 59.10 1nbb h GLU 5 Cb 0.20 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.54 1nbb h GLU 5 CO -0.17 0.98 -0.73 -0.39 -0.73 0.00 0.00 179.01 177.97 1nbb h VAL 6 N 0.66 1.29 -0.48 0.32 -1.51 -1.74 -2.48 116.25 112.31 1nbb h VAL 6 Ca 0.10 -1.95 -0.02 0.00 -1.23 0.00 0.00 66.70 63.60 1nbb h VAL 6 Cb 0.69 1.93 -0.02 0.00 -2.13 0.00 0.00 31.29 31.76 1nbb h VAL 6 CO 0.05 0.62 0.21 -0.07 -1.23 0.00 0.00 177.57 177.15 1nbb h LEU 7 N 0.52 0.62 -0.40 4.19 4.07 -0.60 -1.21 115.31 122.50 1nbb h LEU 7 Ca -0.04 -0.06 -0.14 0.00 0.08 0.00 0.00 57.88 57.72 1nbb h LEU 7 Cb 1.34 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.92 1nbb h LEU 7 CO 0.15 0.54 -0.29 -0.33 -1.08 0.00 0.00 178.44 177.43 1nbb h GLU 8 N 0.68 0.90 -0.42 1.13 5.08 -0.68 -2.72 114.58 118.55 1nbb h GLU 8 Ca 0.17 -0.44 -0.08 0.00 -1.00 0.00 0.00 59.36 58.01 1nbb h GLU 8 Cb 0.11 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1nbb h GLU 8 CO -0.02 1.09 -0.06 0.00 -1.00 0.00 0.00 179.01 179.02 1nbb h ALA 9 N 0.79 0.57 0.00 3.43 0.00 -0.85 -1.82 119.26 121.39 1nbb h ALA 9 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1nbb h ALA 9 Cb 0.88 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1nbb h ALA 9 CO 0.08 0.41 0.00 0.07 0.00 0.00 0.00 179.25 179.81 1nbb h ARG 10 N 0.61 0.00 -0.10 0.00 0.11 -1.29 -1.28 114.38 112.43 1nbb h ARG 10 Ca 0.11 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.08 1nbb h ARG 10 Cb 0.57 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.65 1nbb h ARG 10 CO 0.03 0.00 -0.37 1.49 0.10 0.00 0.00 179.97 181.22 1nbb h GLU 11 N 0.00 0.43 0.00 0.08 4.81 -1.30 0.95 114.58 119.55 1nbb h GLU 11 Ca 0.00 -0.33 -0.06 0.00 -0.13 0.00 0.00 59.36 58.85 1nbb h GLU 11 Cb 0.81 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 1nbb h GLU 11 CO 0.00 0.95 -0.27 0.00 -0.73 0.00 0.00 179.01 178.97 1nbb h ALA 12 N 0.48 1.54 0.37 2.92 0.00 -1.23 -0.19 119.26 123.15 1nbb h ALA 12 Ca -0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1nbb h ALA 12 Cb 1.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1nbb h ALA 12 CO 0.08 0.34 -0.18 -0.92 0.00 0.00 0.00 179.25 178.57 1nbb h TYR 13 N 0.00 -0.46 -0.20 0.00 5.03 -0.96 -2.67 116.97 117.70 1nbb h TYR 13 Ca -0.00 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.33 1nbb h TYR 13 Cb 0.48 0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.90 1nbb h TYR 13 CO 0.00 -0.29 0.14 0.27 -1.32 0.00 0.00 178.16 176.96 1nbb h PHE 14 N -0.78 0.11 -0.11 -3.82 -5.15 -0.69 -0.00 116.94 106.50 1nbb h PHE 14 Ca -0.05 0.00 -0.11 0.00 -0.20 0.00 0.00 57.97 57.61 1nbb h PHE 14 Cb 0.38 -0.04 -0.01 0.00 0.22 0.00 0.00 35.95 36.50 1nbb h PHE 14 CO 0.05 0.06 -0.42 0.87 -2.00 0.00 0.00 178.31 176.87 1nbb h LYS 15 N 0.12 0.26 -0.14 6.09 1.57 -1.12 -0.56 116.57 122.79 1nbb h LYS 15 Ca 0.09 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1nbb h LYS 15 Cb 0.21 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1nbb h LYS 15 CO -0.01 0.64 -0.06 0.77 -0.57 0.00 0.00 179.45 180.21 1nbb h SER 16 N 0.21 0.29 -0.30 0.86 0.02 -0.65 -2.51 113.55 111.49 1nbb h SER 16 Ca 0.02 -0.41 -0.02 0.00 -0.84 0.00 0.00 61.79 60.54 1nbb h SER 16 Cb 0.84 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 1nbb h SER 16 CO 0.07 0.64 0.10 -0.07 -1.14 0.00 0.00 176.83 176.42 1nbb h LEU 17 N -0.05 0.42 -0.33 5.07 3.38 -1.26 -1.81 115.31 120.72 1nbb h LEU 17 Ca 0.03 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.87 1nbb h LEU 17 Cb 0.52 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1nbb h LEU 17 CO 0.02 0.50 0.04 1.23 0.09 0.00 0.00 178.44 180.32 1nbb h GLY 18 N 0.32 0.36 1.78 0.83 0.00 -1.11 0.27 103.07 105.53 1nbb h GLY 18 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 1nbb h GLY 18 CO -0.01 -0.04 -0.04 -1.33 0.00 0.00 0.00 176.54 175.12 1nbb h GLY 19 N 0.14 0.30 0.62 4.60 0.00 -1.36 -1.18 103.07 106.18 1nbb h GLY 19 Ca 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1nbb h GLY 19 CO -0.23 0.15 -0.21 0.23 0.00 0.00 0.00 176.54 176.48 1nbb h SER 20 N 0.27 -0.49 -0.65 0.19 0.87 -0.36 -1.28 113.55 112.10 1nbb h SER 20 Ca 0.06 -0.10 0.14 0.00 -1.23 0.00 0.00 61.79 60.66 1nbb h SER 20 Cb 0.26 0.13 -0.12 0.00 -0.44 0.00 0.00 62.40 62.23 1nbb h SER 20 CO 0.01 -0.10 -0.06 0.24 -0.53 0.00 0.00 176.83 176.39 1nbb h MET 21 N -0.97 0.06 0.06 2.24 2.86 -0.89 0.24 114.93 118.54 1nbb h MET 21 Ca -0.06 -0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1nbb h MET 21 Cb 0.56 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1nbb h MET 21 CO 0.10 0.04 -0.22 -0.22 1.06 0.00 0.00 176.91 177.67 1nbb h LYS 22 N 0.07 -0.38 0.00 1.72 1.63 -1.16 -0.52 116.57 117.94 1nbb h LYS 22 Ca 0.33 0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 60.12 1nbb h LYS 22 Cb 0.54 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.25 1nbb h LYS 22 CO -0.60 -0.25 -0.17 0.00 -3.45 0.00 0.00 179.45 174.98 1nbb h ALA 23 N 0.43 1.58 0.00 5.00 0.00 0.04 -2.80 119.26 123.51 1nbb h ALA 23 Ca 0.04 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 1nbb h ALA 23 Cb 0.44 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1nbb h ALA 23 CO -0.16 0.21 -0.93 0.52 0.00 0.00 0.00 179.25 178.89 1nbb h MET 24 N 0.00 0.00 -0.68 0.00 2.86 0.36 -2.70 114.93 114.77 1nbb h MET 24 Ca -0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 1nbb h MET 24 Cb 0.32 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 1nbb h MET 24 CO 0.02 0.93 0.21 1.15 1.06 0.00 0.00 176.91 180.28 1nbb h THR 25 N 0.00 1.25 -0.33 2.22 2.02 -0.86 0.69 112.91 117.91 1nbb h THR 25 Ca -0.01 -0.87 -0.18 0.00 0.77 0.00 0.00 66.41 66.13 1nbb h THR 25 Cb 1.64 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 68.55 1nbb h THR 25 CO 0.12 0.34 -0.49 1.23 0.37 0.00 0.00 175.52 177.09 1nbb h GLY 26 N 1.07 0.98 1.15 2.16 0.00 -1.55 -2.80 103.07 104.09 1nbb h GLY 26 Ca 0.22 -1.09 -0.03 0.00 0.00 0.00 0.00 47.33 46.43 1nbb h GLY 26 CO -0.01 0.98 0.36 -2.08 0.00 0.00 0.00 176.54 175.79 1nbb h VAL 27 N 0.71 1.24 0.00 4.60 2.07 -1.10 -1.30 116.25 122.47 1nbb h VAL 27 Ca 0.03 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1nbb h VAL 27 Cb 1.09 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1nbb h VAL 27 CO 0.11 0.29 -0.05 0.00 0.02 0.00 0.00 177.57 177.94 1nbb h ALA 28 N 1.31 1.20 0.00 1.67 0.00 -0.68 -0.92 119.26 121.84 1nbb h ALA 28 Ca 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1nbb h ALA 28 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1nbb h ALA 28 CO -0.03 0.07 -0.52 0.87 0.00 0.00 0.00 179.25 179.64 1nbb h LYS 29 N 0.00 0.00 -1.17 0.00 1.57 -0.99 -3.39 116.57 112.60 1nbb h LYS 29 Ca -0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.37 1nbb h LYS 29 Cb 0.23 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.25 1nbb h LYS 29 CO 0.01 0.00 -0.86 0.00 -0.57 0.00 0.00 179.45 178.03 1nbb n ALA 30 N -2.06 0.84 -1.68 3.86 0.00 -0.75 -5.11 120.51 115.60 1nbb n ALA 30 Ca 0.02 -2.57 -0.49 0.00 0.00 0.00 0.00 53.44 50.40 1nbb n ALA 30 Cb 0.51 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 1nbb n ALA 30 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1nbb n PHE 31 N 1.32 2.30 -3.89 0.00 -0.00 -0.42 -4.81 117.46 111.96 1nbb n PHE 31 Ca 0.16 0.05 -0.27 0.00 -0.00 0.00 0.00 57.45 57.39 1nbb n PHE 31 Cb 0.59 -2.64 -0.17 0.00 -0.00 0.00 0.00 39.48 37.26 1nbb n PHE 31 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1nbb s ASP 32 N 3.88 2.47 0.32 -2.13 2.15 -1.26 -5.03 116.67 117.06 1nbb s ASP 32 Ca 0.93 -0.46 0.06 0.00 0.43 0.00 0.00 52.55 53.50 1nbb s ASP 32 Cb -0.72 -0.86 0.71 0.00 -0.30 0.00 0.00 42.92 41.75 1nbb s ASP 32 CO 0.52 -0.15 1.84 0.00 -0.17 0.00 0.00 175.17 177.21 1nbb h ALA 33 N 8.16 1.70 -0.40 3.66 0.00 -1.91 -1.21 119.26 129.26 1nbb h ALA 33 Ca -0.27 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1nbb h ALA 33 Cb 1.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1nbb h ALA 33 CO 0.40 0.03 -0.17 0.93 0.00 0.00 0.00 179.25 180.44 1nbb h GLU 34 N 0.81 0.83 -0.08 0.00 4.39 -1.96 -1.74 114.58 116.83 1nbb h GLU 34 Ca 0.49 -0.35 -0.14 0.00 0.34 0.00 0.00 59.36 59.69 1nbb h GLU 34 Cb 0.67 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1nbb h GLU 34 CO -0.25 0.98 -0.59 0.00 -1.16 0.00 0.00 179.01 177.99 1nbb h ALA 35 N 0.82 0.85 -0.74 3.43 0.00 -1.93 -1.84 119.26 119.85 1nbb h ALA 35 Ca 0.09 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1nbb h ALA 35 Cb 0.72 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1nbb h ALA 35 CO 0.05 0.72 0.27 0.00 0.00 0.00 0.00 179.25 180.29 1nbb h ALA 36 N 1.19 1.08 -0.28 0.00 0.00 -1.05 -0.35 119.26 119.84 1nbb h ALA 36 Ca -0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1nbb h ALA 36 Cb 1.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1nbb h ALA 36 CO 0.09 0.64 -0.12 0.87 0.00 0.00 0.00 179.25 180.74 1nbb h LYS 37 N 1.09 0.57 -0.36 0.00 1.57 -0.99 -0.33 116.57 118.11 1nbb h LYS 37 Ca 0.25 -0.24 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1nbb h LYS 37 Cb 0.24 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1nbb h LYS 37 CO -0.02 0.80 0.22 -0.39 -0.57 0.00 0.00 179.45 179.50 1nbb h VAL 38 N 0.31 1.06 -0.44 0.50 -1.51 -1.07 0.11 116.25 115.22 1nbb h VAL 38 Ca 0.06 -0.16 -0.06 0.00 -1.23 0.00 0.00 66.70 65.31 1nbb h VAL 38 Cb 0.62 0.57 -0.02 0.00 -2.13 0.00 0.00 31.29 30.33 1nbb h VAL 38 CO 0.04 0.08 0.00 -0.33 -1.23 0.00 0.00 177.57 176.13 1nbb h GLU 39 N 0.46 0.70 -0.32 5.19 4.39 -0.89 -2.39 114.58 121.72 1nbb h GLU 39 Ca 0.14 -0.18 -0.16 0.00 0.34 0.00 0.00 59.36 59.50 1nbb h GLU 39 Cb -0.02 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1nbb h GLU 39 CO -0.05 0.72 -0.44 0.00 -1.16 0.00 0.00 179.01 178.07 1nbb h ALA 40 N 1.34 0.60 -0.80 3.43 0.00 -0.66 0.15 119.26 123.32 1nbb h ALA 40 Ca 0.13 -0.47 0.05 0.00 0.00 0.00 0.00 54.91 54.62 1nbb h ALA 40 Cb 0.41 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1nbb h ALA 40 CO 0.02 0.68 0.49 0.00 0.00 0.00 0.00 179.25 180.43 1nbb h ALA 41 N 0.82 1.08 -0.22 0.00 0.00 -0.46 0.43 119.26 120.90 1nbb h ALA 41 Ca 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1nbb h ALA 41 Cb 1.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1nbb h ALA 41 CO 0.10 0.23 -0.06 -0.22 0.00 0.00 0.00 179.25 179.31 1nbb h LYS 42 N 0.91 0.43 -0.79 0.00 3.64 -1.22 -3.01 116.57 116.54 1nbb h LYS 42 Ca 0.34 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1nbb h LYS 42 Cb 0.13 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 1nbb h LYS 42 CO -0.16 0.67 0.49 1.25 -2.27 0.00 0.00 179.45 179.44 1nbb h LEU 43 N 0.16 0.92 -0.23 5.20 5.85 0.11 -1.99 115.31 125.34 1nbb h LEU 43 Ca 0.06 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1nbb h LEU 43 Cb 0.52 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1nbb h LEU 43 CO 0.02 0.70 0.04 -0.08 -0.34 0.00 0.00 178.44 178.77 1nbb h GLU 44 N 1.07 0.12 -0.36 1.25 4.81 -0.13 -0.76 114.58 120.58 1nbb h GLU 44 Ca 0.28 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.48 1nbb h GLU 44 Cb -0.07 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1nbb h GLU 44 CO -0.06 0.08 0.12 0.87 -0.73 0.00 0.00 179.01 179.29 1nbb h LYS 45 N 0.12 0.55 -0.48 1.92 1.79 -1.32 -2.47 116.57 116.67 1nbb h LYS 45 Ca 0.10 -0.12 0.05 0.00 -2.18 0.00 0.00 60.65 58.51 1nbb h LYS 45 Cb 0.11 -0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 30.63 1nbb h LYS 45 CO -0.15 0.57 0.21 0.82 -1.08 0.00 0.00 179.45 179.82 1nbb h ILE 46 N 0.43 0.90 0.00 1.86 2.04 -1.07 -1.04 117.51 120.62 1nbb h ILE 46 Ca 0.12 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1nbb h ILE 46 Cb 0.24 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1nbb h ILE 46 CO -0.01 0.07 0.00 0.18 0.00 0.00 0.00 178.15 178.40 1nbb n LEU 47 N -4.95 0.00 -0.22 1.44 4.77 -0.32 -1.39 117.00 116.34 1nbb n LEU 47 Ca 0.04 0.39 0.15 0.00 -0.03 0.00 0.00 56.01 56.57 1nbb n LEU 47 Cb 0.16 -0.39 0.69 0.00 -2.33 0.00 0.00 43.42 41.55 1nbb n LEU 47 CO 0.27 -0.22 0.95 0.00 -1.33 0.00 0.00 177.39 177.06 1nbb n ALA 48 N -1.39 2.67 -1.84 -1.18 0.00 -0.40 -4.81 120.51 113.57 1nbb n ALA 48 Ca 0.05 -0.31 -0.40 0.00 0.00 0.00 0.00 53.44 52.77 1nbb n ALA 48 Cb 0.13 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.20 1nbb n ALA 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1nbb s THR 49 N -2.13 3.99 -0.25 0.00 2.01 -0.48 -5.02 115.64 113.75 1nbb s THR 49 Ca 0.39 1.93 -0.14 0.00 0.31 0.00 0.00 61.69 64.17 1nbb s THR 49 Cb 0.21 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1nbb s THR 49 CO 0.39 0.43 0.34 -0.62 -0.69 0.00 0.00 174.62 174.47 1nbb s ASP 50 N -0.89 6.28 0.51 3.53 2.15 -1.26 -4.94 116.67 122.06 1nbb s ASP 50 Ca 0.43 0.32 0.30 0.00 0.43 0.00 0.00 52.55 54.03 1nbb s ASP 50 Cb -0.27 -2.20 1.09 0.00 -0.30 0.00 0.00 42.92 41.24 1nbb s ASP 50 CO 0.34 -0.11 1.88 -0.37 -0.17 0.00 0.00 175.17 176.74 1nbb h VAL 51 N 5.23 0.06 -0.53 1.11 -1.51 -1.96 -3.38 116.25 115.27 1nbb h VAL 51 Ca -0.34 -0.69 0.05 0.00 -1.23 0.00 0.00 66.70 64.49 1nbb h VAL 51 Cb 1.16 1.65 -0.06 0.00 -2.13 0.00 0.00 31.29 31.91 1nbb h VAL 51 CO 0.66 0.03 -0.32 0.00 -1.23 0.00 0.00 177.57 176.70 1nbb h ALA 52 N 1.97 -0.31 0.00 5.19 0.00 -1.99 -0.18 119.26 123.94 1nbb h ALA 52 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nbb h ALA 52 Cb 0.65 1.20 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1nbb h ALA 52 CO 0.00 -0.54 0.00 -2.30 0.00 0.00 0.00 179.25 176.42 1nbb n PRO 53 N -4.23 0.56 0.00 0.00 -0.02 -1.26 -3.43 135.00 126.62 1nbb n PRO 53 Ca 0.01 0.03 0.14 0.00 -2.02 0.00 0.00 63.50 61.66 1nbb n PRO 53 Cb 0.14 -1.50 0.61 0.00 -0.02 0.00 0.00 33.50 32.73 1nbb n PRO 53 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1nbb n LEU 54 N -1.11 0.20 -3.02 2.45 4.77 -0.08 -4.06 117.00 116.15 1nbb n LEU 54 Ca 0.15 0.23 -0.24 0.00 -0.03 0.00 0.00 56.01 56.12 1nbb n LEU 54 Cb 0.12 -0.32 -0.04 0.00 -2.33 0.00 0.00 43.42 40.86 1nbb n LEU 54 CO 0.14 0.04 0.02 0.49 -1.33 0.00 0.00 177.39 176.76 1nbb n PHE 55 N -1.28 2.76 -2.50 -1.77 3.72 -1.22 -4.86 117.46 112.31 1nbb n PHE 55 Ca 0.11 -3.93 -0.37 0.00 -0.05 0.00 0.00 57.45 53.21 1nbb n PHE 55 Cb 0.29 -0.46 -0.04 0.00 -0.94 0.00 0.00 39.48 38.33 1nbb n PHE 55 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1nbb s PRO 56 N -3.13 4.12 0.38 -1.08 0.04 -1.26 -4.95 135.00 129.12 1nbb s PRO 56 Ca 0.46 1.55 -0.25 0.00 0.04 0.00 0.00 61.00 62.81 1nbb s PRO 56 Cb 0.30 -2.53 -0.13 0.00 0.04 0.00 0.00 34.50 32.18 1nbb s PRO 56 CO -0.12 -0.19 0.80 0.00 0.04 0.00 0.00 177.00 177.53 1nbb n ALA 57 N -0.11 -0.76 -0.38 8.56 0.00 -1.26 -2.91 120.51 123.65 1nbb n ALA 57 Ca 0.05 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1nbb n ALA 57 Cb 0.49 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.02 1nbb n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nbb n GLY 58 N 1.47 0.80 1.36 0.00 0.00 -1.26 -4.81 105.19 102.76 1nbb n GLY 58 Ca 0.11 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1nbb n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nbb n THR 59 N -2.38 2.61 -2.40 2.61 -2.24 -1.15 -4.67 114.28 106.65 1nbb n THR 59 Ca 0.00 -3.10 -0.25 0.00 -2.27 0.00 0.00 64.05 58.43 1nbb n THR 59 Cb 0.00 -0.53 0.04 0.00 -2.10 0.00 0.00 70.33 67.75 1nbb n THR 59 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1nbb s SER 60 N -2.76 5.28 0.19 3.42 1.04 -1.26 -4.75 113.70 114.85 1nbb s SER 60 Ca 0.47 0.48 0.15 0.00 0.48 0.00 0.00 55.95 57.54 1nbb s SER 60 Cb 0.41 -1.35 0.76 0.00 0.10 0.00 0.00 66.02 65.94 1nbb s SER 60 CO -0.00 -1.25 1.47 -1.54 0.98 0.00 0.00 173.24 172.90 1nbb n SER 61 N -2.64 0.37 -0.02 7.02 3.41 -0.32 -0.84 113.62 120.60 1nbb n SER 61 Ca 0.06 0.64 -0.07 0.00 -0.26 0.00 0.00 58.87 59.24 1nbb n SER 61 Cb 0.59 -0.70 -0.13 0.00 -0.26 0.00 0.00 64.21 63.70 1nbb n SER 61 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1nbb n THR 62 N -1.96 1.52 0.10 6.66 -2.24 -1.26 -2.70 114.28 114.39 1nbb n THR 62 Ca 0.00 -0.78 -0.18 0.00 -2.27 0.00 0.00 64.05 60.82 1nbb n THR 62 Cb 0.08 -0.94 -0.14 0.00 -2.10 0.00 0.00 70.33 67.23 1nbb n THR 62 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1nbb h ASP 63 N 0.00 0.51 -2.38 3.42 3.32 -1.46 -3.39 116.42 116.44 1nbb h ASP 63 Ca -0.29 -0.61 -0.60 0.00 0.02 0.00 0.00 57.03 55.56 1nbb h ASP 63 Cb 1.96 -0.16 -0.41 0.00 0.22 0.00 0.00 39.33 40.93 1nbb h ASP 63 CO 0.07 1.49 -0.66 0.18 -1.72 0.00 0.00 179.24 178.60 1nbb n LEU 64 N -3.54 3.03 -4.65 1.55 4.77 -0.02 -4.98 117.00 113.16 1nbb n LEU 64 Ca -0.14 -5.27 -0.54 0.00 -0.03 0.00 0.00 56.01 50.03 1nbb n LEU 64 Cb 1.05 -0.49 -0.07 0.00 -2.33 0.00 0.00 43.42 41.58 1nbb n LEU 64 CO 0.54 1.98 1.47 -2.65 -1.33 0.00 0.00 177.39 177.40 1nbb n PRO 65 N 1.24 1.38 -0.75 3.23 -0.02 -1.10 -1.40 135.00 137.58 1nbb n PRO 65 Ca 0.27 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1nbb n PRO 65 Cb 0.41 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1nbb n PRO 65 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nbb n GLY 66 N 4.77 1.32 0.06 -1.23 0.00 -1.26 -4.83 105.19 104.02 1nbb n GLY 66 Ca 0.29 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.42 1nbb n GLY 66 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nbb n GLN 67 N -2.00 0.51 -3.69 1.61 1.13 -0.49 -5.00 117.38 109.45 1nbb n GLN 67 Ca 0.00 -0.01 -0.09 0.00 -1.94 0.00 0.00 57.00 54.95 1nbb n GLN 67 Cb 0.00 -1.66 -0.03 0.00 0.11 0.00 0.00 30.24 28.66 1nbb n GLN 67 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1nbb s THR 68 N -3.35 0.01 -1.12 5.09 -1.32 -1.24 -5.05 115.64 108.67 1nbb s THR 68 Ca -0.01 -0.64 0.10 0.00 -1.21 0.00 0.00 61.69 59.93 1nbb s THR 68 Cb 0.12 -1.56 0.04 0.00 -1.51 0.00 0.00 72.50 69.60 1nbb s THR 68 CO 0.83 -0.05 0.73 -0.62 -2.21 0.00 0.00 174.62 173.30 1nbb n GLU 69 N -0.39 1.28 -1.70 7.08 1.02 -1.26 -4.31 120.64 122.37 1nbb n GLU 69 Ca -0.10 -0.86 -0.42 0.00 -0.02 0.00 0.00 57.16 55.75 1nbb n GLU 69 Cb 0.62 -1.14 -0.03 0.00 -0.02 0.00 0.00 31.44 30.87 1nbb n GLU 69 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nbb s ALA 70 N -1.12 3.20 0.46 0.62 0.00 -1.26 -1.90 121.76 121.76 1nbb s ALA 70 Ca 0.10 1.01 -0.22 0.00 0.00 0.00 0.00 51.96 52.84 1nbb s ALA 70 Cb 0.08 -3.94 -0.08 0.00 0.00 0.00 0.00 23.12 19.19 1nbb s ALA 70 CO 0.19 -2.12 1.13 0.15 0.00 0.00 0.00 175.76 175.11 1nbb s LYS 71 N 5.26 3.78 0.25 0.00 1.02 -0.66 -1.17 119.74 128.21 1nbb s LYS 71 Ca 0.91 1.67 0.21 0.00 0.02 0.00 0.00 55.97 58.78 1nbb s LYS 71 Cb -0.37 -2.35 0.97 0.00 -0.52 0.00 0.00 37.83 35.56 1nbb s LYS 71 CO 0.37 -0.51 1.64 0.00 -0.92 0.00 0.00 175.35 175.94 1nbb n ALA 72 N -0.57 1.43 0.02 5.17 0.00 -1.26 -1.81 120.51 123.49 1nbb n ALA 72 Ca 0.08 0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.66 1nbb n ALA 72 Cb 0.49 -1.34 0.43 0.00 0.00 0.00 0.00 19.45 19.03 1nbb n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nbb h ALA 73 N 2.18 1.70 -0.47 0.00 0.00 -1.91 -2.82 119.26 117.95 1nbb h ALA 73 Ca 0.00 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1nbb h ALA 73 Cb 0.22 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 17.76 1nbb h ALA 73 CO 0.00 0.27 -0.41 0.82 0.00 0.00 0.00 179.25 179.93 1nbb h ILE 74 N 0.52 0.12 0.00 0.00 2.04 -1.69 0.20 117.51 118.70 1nbb h ILE 74 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 1nbb h ILE 74 Cb -0.03 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 1nbb h ILE 74 CO -0.03 0.00 0.00 0.79 0.00 0.00 0.00 178.15 178.91 1nbb n TRP 75 N -5.41 0.18 0.60 1.37 8.01 -1.06 -1.23 117.44 119.89 1nbb n TRP 75 Ca 0.01 0.07 0.11 0.00 -1.31 0.00 0.00 57.50 56.38 1nbb n TRP 75 Cb 0.35 -0.62 -0.05 0.00 -2.01 0.00 0.00 31.31 28.98 1nbb n TRP 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1nbb n ALA 76 N -1.56 3.71 -2.64 6.99 0.00 0.55 -4.40 120.51 123.15 1nbb n ALA 76 Ca 0.02 -0.49 -0.09 0.00 0.00 0.00 0.00 53.44 52.89 1nbb n ALA 76 Cb 0.14 -0.87 0.03 0.00 0.00 0.00 0.00 19.45 18.76 1nbb n ALA 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1nbb n ASN 77 N -1.87 2.24 -0.33 0.00 3.02 -0.36 -4.98 115.26 112.99 1nbb n ASN 77 Ca 0.01 -2.64 0.14 0.00 -0.03 0.00 0.00 54.58 52.07 1nbb n ASN 77 Cb 0.43 -0.48 0.36 0.00 -0.61 0.00 0.00 39.78 39.48 1nbb n ASN 77 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 1nbb h MET 78 N 2.69 0.67 -0.07 3.52 4.05 -1.52 -1.23 114.93 123.04 1nbb h MET 78 Ca -0.02 -0.04 -0.15 0.00 -0.28 0.00 0.00 59.70 59.21 1nbb h MET 78 Cb 1.24 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.88 1nbb h MET 78 CO 0.43 0.44 -0.61 -0.44 0.23 0.00 0.00 176.91 176.96 1nbb h ASP 79 N 0.69 0.29 0.51 1.39 3.32 -1.93 -1.22 116.42 119.46 1nbb h ASP 79 Ca 0.55 -0.17 -0.17 0.00 0.02 0.00 0.00 57.03 57.26 1nbb h ASP 79 Cb 0.96 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 1nbb h ASP 79 CO -0.33 0.83 -0.76 -0.78 -1.72 0.00 0.00 179.24 176.48 1nbb h ASP 80 N 0.19 0.24 -0.20 6.45 3.58 -1.72 0.71 116.42 125.68 1nbb h ASP 80 Ca -0.01 -0.17 -0.03 0.00 0.42 0.00 0.00 57.03 57.25 1nbb h ASP 80 Cb 1.12 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 1nbb h ASP 80 CO 0.10 0.91 0.02 0.15 -2.88 0.00 0.00 179.24 177.54 1nbb h PHE 81 N 0.13 0.35 -0.59 0.28 3.57 -1.13 -0.01 116.94 119.53 1nbb h PHE 81 Ca -0.03 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.39 1nbb h PHE 81 Cb 1.33 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.95 1nbb h PHE 81 CO 0.02 0.49 0.26 0.78 -2.23 0.00 0.00 178.31 177.63 1nbb h GLY 82 N 0.11 0.93 0.99 2.40 0.00 -1.08 -0.74 103.07 105.68 1nbb h GLY 82 Ca 0.06 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1nbb h GLY 82 CO 0.01 0.46 0.32 0.00 0.00 0.00 0.00 176.54 177.32 1nbb h ALA 83 N 1.10 0.70 0.00 3.60 0.00 -0.72 -0.18 119.26 123.77 1nbb h ALA 83 Ca 0.20 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1nbb h ALA 83 Cb 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1nbb h ALA 83 CO -0.02 0.21 -0.18 0.87 0.00 0.00 0.00 179.25 180.12 1nbb h LYS 84 N 0.74 0.00 -0.12 0.00 1.57 -0.54 -1.02 116.57 117.21 1nbb h LYS 84 Ca 0.20 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.76 1nbb h LYS 84 Cb 0.02 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.33 1nbb h LYS 84 CO -0.03 0.18 -0.79 0.78 -0.57 0.00 0.00 179.45 179.02 1nbb h GLY 85 N 0.64 0.72 1.49 3.86 0.00 -0.01 -3.01 103.07 106.76 1nbb h GLY 85 Ca -0.00 -1.04 -0.15 0.00 0.00 0.00 0.00 47.33 46.14 1nbb h GLY 85 CO 0.02 0.92 -0.50 0.07 0.00 0.00 0.00 176.54 177.06 1nbb h LYS 86 N 0.44 0.55 -0.67 4.80 -0.00 -0.53 -2.48 116.57 118.67 1nbb h LYS 86 Ca -0.05 -0.32 0.08 0.00 -0.00 0.00 0.00 60.65 60.36 1nbb h LYS 86 Cb 1.40 0.03 -0.07 0.00 -0.00 0.00 0.00 32.23 33.59 1nbb h LYS 86 CO 0.15 0.92 0.33 0.00 -0.00 0.00 0.00 179.45 180.85 1nbb h ALA 87 N 1.02 0.91 -0.58 0.07 0.00 -1.21 0.12 119.26 119.59 1nbb h ALA 87 Ca 0.02 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1nbb h ALA 87 Cb 1.02 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1nbb h ALA 87 CO 0.09 -0.06 0.00 1.98 0.00 0.00 0.00 179.25 181.26 1nbb h MET 88 N 0.57 1.00 -0.05 0.00 1.85 -1.37 0.60 114.93 117.52 1nbb h MET 88 Ca 0.32 -0.30 -0.00 0.00 -0.61 0.00 0.00 59.70 59.11 1nbb h MET 88 Cb 0.32 -0.10 -0.00 0.00 0.43 0.00 0.00 31.60 32.25 1nbb h MET 88 CO -0.25 0.98 0.02 0.45 -0.40 0.00 0.00 176.91 177.71 1nbb h HIS 89 N 0.92 0.08 -0.41 1.39 3.86 -0.89 0.12 115.15 120.22 1nbb h HIS 89 Ca 0.17 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.42 1nbb h HIS 89 Cb 0.53 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.93 1nbb h HIS 89 CO 0.03 0.21 0.16 0.93 0.86 0.00 0.00 177.93 180.12 1nbb h GLU 90 N -0.07 0.32 -0.59 2.45 5.08 -0.81 -1.28 114.58 119.68 1nbb h GLU 90 Ca 0.02 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1nbb h GLU 90 Cb 0.16 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1nbb h GLU 90 CO -0.00 0.21 0.33 0.00 -1.00 0.00 0.00 179.01 178.55 1nbb h ALA 91 N 1.26 1.49 -0.41 3.43 0.00 -0.67 -2.72 119.26 121.64 1nbb h ALA 91 Ca 0.19 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1nbb h ALA 91 Cb 0.16 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1nbb h ALA 91 CO -0.18 0.44 0.15 0.78 0.00 0.00 0.00 179.25 180.43 1nbb h GLY 92 N 0.86 0.67 1.77 0.00 0.00 0.37 -2.86 103.07 103.89 1nbb h GLY 92 Ca 0.21 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1nbb h GLY 92 CO -0.04 0.36 0.07 -1.33 0.00 0.00 0.00 176.54 175.60 1nbb h GLY 93 N 0.52 0.32 1.67 4.60 0.00 -1.06 -0.57 103.07 108.56 1nbb h GLY 93 Ca 0.14 -0.14 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 1nbb h GLY 93 CO -0.01 0.14 -0.21 0.00 0.00 0.00 0.00 176.54 176.46 1nbb h ALA 94 N 1.78 1.24 -0.09 3.60 0.00 -1.38 0.16 119.26 124.57 1nbb h ALA 94 Ca 0.08 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1nbb h ALA 94 Cb 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1nbb h ALA 94 CO -0.01 0.50 -0.34 0.28 0.00 0.00 0.00 179.25 179.68 1nbb h VAL 95 N 0.35 1.40 -0.40 0.00 2.07 -0.98 -0.72 116.25 117.97 1nbb h VAL 95 Ca 0.06 -1.69 0.02 0.00 0.82 0.00 0.00 66.70 65.90 1nbb h VAL 95 Cb 0.57 2.22 -0.03 0.00 -1.52 0.00 0.00 31.29 32.54 1nbb h VAL 95 CO 0.04 0.49 0.24 0.40 0.02 0.00 0.00 177.57 178.76 1nbb h ILE 96 N -0.06 1.05 -0.74 4.57 2.04 -0.96 -0.67 117.51 122.75 1nbb h ILE 96 Ca -0.02 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1nbb h ILE 96 Cb 0.97 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 1nbb h ILE 96 CO 0.07 0.09 0.34 0.00 0.00 0.00 0.00 178.15 178.65 1nbb h ALA 97 N 1.17 1.20 -0.07 1.87 0.00 -0.67 -2.10 119.26 120.65 1nbb h ALA 97 Ca 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1nbb h ALA 97 Cb -0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1nbb h ALA 97 CO -0.07 0.60 -0.00 0.00 0.00 0.00 0.00 179.25 179.78 1nbb h ALA 98 N 1.31 0.10 -0.96 0.00 0.00 -0.36 -2.70 119.26 116.65 1nbb h ALA 98 Ca 0.25 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1nbb h ALA 98 Cb 0.13 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1nbb h ALA 98 CO -0.03 -0.22 0.64 0.00 0.00 0.00 0.00 179.25 179.64 1nbb h ALA 99 N 0.71 1.23 0.00 0.00 0.00 -1.01 -1.67 119.26 118.52 1nbb h ALA 99 Ca 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1nbb h ALA 99 Cb 0.35 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1nbb h ALA 99 CO 0.00 0.60 -0.12 -0.91 0.00 0.00 0.00 179.25 178.83 1nbb h ASN 100 N 1.29 0.00 1.32 0.00 2.35 -1.39 -1.39 115.58 117.76 1nbb h ASN 100 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1nbb h ASN 100 Cb -0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.24 1nbb h ASN 100 CO -0.08 0.12 0.00 0.00 -1.65 0.00 0.00 177.43 175.81 1nbb n ALA 101 N -2.15 2.29 -1.28 -0.83 0.00 -0.68 -4.89 120.51 112.97 1nbb n ALA 101 Ca 0.01 -0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.31 1nbb n ALA 101 Cb 0.43 -1.47 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 1nbb n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nbb n GLY 102 N 1.37 1.13 3.51 0.00 0.00 -0.52 -4.97 105.19 105.70 1nbb n GLY 102 Ca 0.06 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 1nbb n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nbb s ASP 103 N -2.85 6.30 0.08 1.61 -1.08 -1.08 -4.87 116.67 114.78 1nbb s ASP 103 Ca 0.00 -0.39 -0.26 0.00 -0.52 0.00 0.00 52.55 51.38 1nbb s ASP 103 Cb 0.00 -2.30 -0.16 0.00 -1.46 0.00 0.00 42.92 39.00 1nbb s ASP 103 CO 0.00 -0.73 1.69 1.23 0.52 0.00 0.00 175.17 177.88 1nbb h GLY 104 N 9.55 -0.28 0.55 2.66 0.00 -1.93 -1.31 103.07 112.31 1nbb h GLY 104 Ca -0.26 0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.18 1nbb h GLY 104 CO 0.87 -0.10 -0.34 0.00 0.00 0.00 0.00 176.54 176.97 1nbb h ALA 105 N 0.52 -0.67 -0.71 3.60 0.00 -1.98 -1.38 119.26 118.64 1nbb h ALA 105 Ca -0.03 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 54.93 1nbb h ALA 105 Cb 0.21 0.52 -0.09 0.00 0.00 0.00 0.00 17.79 18.43 1nbb h ALA 105 CO 0.04 -0.92 0.23 0.00 0.00 0.00 0.00 179.25 178.60 1nbb h ALA 106 N -0.11 0.94 -0.44 0.00 0.00 -1.94 -0.74 119.26 116.97 1nbb h ALA 106 Ca -0.00 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1nbb h ALA 106 Cb 0.62 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1nbb h ALA 106 CO -0.12 -0.26 0.24 0.35 0.00 0.00 0.00 179.25 179.46 1nbb h PHE 107 N 0.36 0.44 -0.49 0.00 3.57 -0.73 -0.21 116.94 119.87 1nbb h PHE 107 Ca 0.39 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.88 1nbb h PHE 107 Cb 0.59 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 1nbb h PHE 107 CO -0.20 0.24 0.24 0.78 -2.23 0.00 0.00 178.31 177.13 1nbb h GLY 108 N 0.47 0.76 0.99 2.40 0.00 -0.11 -0.73 103.07 106.86 1nbb h GLY 108 Ca 0.18 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 1nbb h GLY 108 CO -0.11 0.36 -0.11 0.00 0.00 0.00 0.00 176.54 176.67 1nbb h ALA 109 N 1.08 0.56 -0.69 3.60 0.00 -0.98 -2.39 119.26 120.45 1nbb h ALA 109 Ca 0.17 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1nbb h ALA 109 Cb 0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1nbb h ALA 109 CO -0.02 0.45 0.30 0.00 0.00 0.00 0.00 179.25 179.98 1nbb h ALA 110 N 0.84 0.89 -0.64 0.00 0.00 -0.93 -2.15 119.26 117.27 1nbb h ALA 110 Ca 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1nbb h ALA 110 Cb 0.64 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1nbb h ALA 110 CO 0.04 0.48 0.33 1.25 0.00 0.00 0.00 179.25 181.35 1nbb h LEU 111 N 0.96 0.81 -1.16 0.00 5.85 -1.08 -0.55 115.31 120.14 1nbb h LEU 111 Ca 0.23 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.92 1nbb h LEU 111 Cb 0.16 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 1nbb h LEU 111 CO -0.02 0.70 0.58 -0.61 -0.34 0.00 0.00 178.44 178.75 1nbb h GLN 112 N 0.87 0.93 -0.03 1.25 5.75 -1.09 0.57 115.11 123.37 1nbb h GLN 112 Ca 0.22 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.64 1nbb h GLN 112 Cb 0.08 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.42 1nbb h GLN 112 CO -0.03 0.62 -0.09 0.87 -2.65 0.00 0.00 178.83 177.55 1nbb h LYS 113 N 0.96 0.11 -0.57 1.69 1.57 -0.65 -2.76 116.57 116.93 1nbb h LYS 113 Ca 0.41 -0.08 0.09 0.00 -1.87 0.00 0.00 60.65 59.19 1nbb h LYS 113 Cb 0.31 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.56 1nbb h LYS 113 CO -0.17 0.71 0.20 1.25 -0.57 0.00 0.00 179.45 180.87 1nbb h LEU 114 N -0.47 0.19 -0.75 2.94 5.85 -0.74 -0.60 115.31 121.74 1nbb h LEU 114 Ca -0.00 0.08 0.14 0.00 0.84 0.00 0.00 57.88 58.93 1nbb h LEU 114 Cb 0.72 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.72 1nbb h LEU 114 CO 0.02 0.12 0.30 1.23 -0.34 0.00 0.00 178.44 179.77 1nbb h GLY 115 N 0.38 1.14 1.69 3.75 0.00 -0.89 -0.61 103.07 108.52 1nbb h GLY 115 Ca 0.28 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 1nbb h GLY 115 CO -0.29 -0.09 -0.04 -1.33 0.00 0.00 0.00 176.54 174.79 1nbb h GLY 116 N 0.45 0.42 2.00 4.60 0.00 -0.81 -2.27 103.07 107.47 1nbb h GLY 116 Ca 0.41 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.44 1nbb h GLY 116 CO -0.39 0.23 -0.27 -0.91 0.00 0.00 0.00 176.54 175.20 1nbb h THR 117 N 0.38 0.77 0.29 4.70 1.35 -0.71 0.12 112.91 119.81 1nbb h THR 117 Ca 0.08 -1.12 -0.01 0.00 -0.55 0.00 0.00 66.41 64.81 1nbb h THR 117 Cb 0.32 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1nbb h THR 117 CO 0.01 0.26 -0.14 0.00 -0.25 0.00 0.00 175.52 175.41 1nbb h LYS 119 N -0.79 -0.02 -0.99 0.00 3.64 -1.22 -1.87 116.57 115.32 1nbb h LYS 119 Ca -0.04 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.55 1nbb h LYS 119 Cb 0.51 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.24 1nbb h LYS 119 CO 0.06 -0.01 0.62 0.00 -2.27 0.00 0.00 179.45 177.85 1nbb h ALA 120 N 1.24 1.90 0.00 5.00 0.00 -0.79 -0.09 119.26 126.52 1nbb h ALA 120 Ca 0.13 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1nbb h ALA 120 Cb 0.22 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1nbb h ALA 120 CO -0.28 -0.27 -0.06 0.00 0.00 0.00 0.00 179.25 178.64 1nbb h HIS 122 N -1.00 0.56 -0.48 0.00 3.86 -1.04 0.31 115.15 117.36 1nbb h HIS 122 Ca -0.02 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1nbb h HIS 122 Cb 1.00 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.27 1nbb h HIS 122 CO 0.27 0.26 0.32 -0.44 0.86 0.00 0.00 177.93 179.19 1nbb h ASP 123 N 0.52 0.55 0.60 2.45 3.32 -1.13 -2.00 116.42 120.72 1nbb h ASP 123 Ca 0.31 -0.01 -0.20 0.00 0.02 0.00 0.00 57.03 57.15 1nbb h ASP 123 Cb 0.52 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 1nbb h ASP 123 CO -0.10 0.39 -1.54 0.47 -1.72 0.00 0.00 179.24 176.74 1nbb n ASP 124 N -4.76 0.78 -0.10 6.45 8.00 -0.93 -4.64 116.55 121.35 1nbb n ASP 124 Ca 0.02 0.35 0.01 0.00 0.71 0.00 0.00 54.79 55.88 1nbb n ASP 124 Cb 0.02 0.23 0.02 0.00 -0.02 0.00 0.00 41.12 41.37 1nbb n ASP 124 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1nbb n TYR 125 N -2.89 0.04 -3.90 1.24 4.01 0.10 -4.87 117.16 110.89 1nbb n TYR 125 Ca -0.12 -0.20 -0.11 0.00 -0.16 0.00 0.00 57.90 57.31 1nbb n TYR 125 Cb 0.89 -0.02 -0.12 0.00 -0.31 0.00 0.00 39.34 39.77 1nbb n TYR 125 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1nbb s ARG 126 N -0.51 0.18 0.26 -0.72 1.70 -0.76 -1.65 118.95 117.44 1nbb s ARG 126 Ca 0.03 -0.22 0.03 0.00 -0.47 0.00 0.00 55.73 55.11 1nbb s ARG 126 Cb 0.02 0.07 0.03 0.00 -0.57 0.00 0.00 34.95 34.50 1nbb s ARG 126 CO 0.03 -0.03 0.28 -0.85 -1.08 0.00 0.00 175.30 173.64 1nbb n GLU 127 N 2.41 0.97 -3.62 3.89 0.28 -0.80 -4.72 120.64 119.05 1nbb n GLU 127 Ca -0.17 -1.52 -0.01 0.00 -0.16 0.00 0.00 57.16 55.31 1nbb n GLU 127 Cb 0.58 0.03 -0.02 0.00 1.43 0.00 0.00 31.44 33.47 1nbb n GLU 127 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 1nbb s GLU 128 N -3.12 0.00 0.00 3.44 -1.05 -1.26 -4.86 118.70 111.85 1nbb s GLU 128 Ca 0.21 -0.00 0.00 0.00 -0.15 0.00 0.00 54.97 55.03 1nbb s GLU 128 Cb -0.02 0.00 0.00 0.00 -0.44 0.00 0.00 34.13 33.68 1nbb s GLU 128 CO 0.13 -0.00 0.00 -3.47 0.95 0.00 0.00 175.26 172.87