#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nto s LYS 2 N 0.00 3.14 -0.25 0.03 2.20 -0.51 -0.05 119.74 124.30 2nto s LYS 2 Ca 0.00 -0.78 -0.10 0.00 -0.36 0.00 0.00 55.97 54.74 2nto s LYS 2 Cb 0.00 -2.62 -0.04 0.00 -1.51 0.00 0.00 37.83 33.66 2nto s LYS 2 CO 0.00 -0.07 0.14 -1.17 -0.36 0.00 0.00 175.35 173.89 2nto s LEU 3 N 1.02 3.87 -0.15 5.43 2.96 -0.31 -0.43 118.68 131.06 2nto s LEU 3 Ca -0.02 -0.03 -0.22 0.00 -0.22 0.00 0.00 54.13 53.65 2nto s LEU 3 Cb -0.15 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 2nto s LEU 3 CO -0.04 0.00 0.67 -0.31 -1.32 0.00 0.00 176.35 175.35 2nto s TYR 4 N 1.43 3.44 0.17 5.38 1.51 0.62 -1.07 117.35 128.84 2nto s TYR 4 Ca 0.06 1.07 -0.06 0.00 -1.01 0.00 0.00 57.07 57.13 2nto s TYR 4 Cb -0.15 -2.82 -0.02 0.00 -0.11 0.00 0.00 41.96 38.86 2nto s TYR 4 CO 0.07 -0.09 0.22 1.52 -1.11 0.00 0.00 175.55 176.15 2nto s TYR 5 N 1.58 0.68 -0.03 2.71 1.13 -0.53 -2.93 117.35 119.95 2nto s TYR 5 Ca 0.32 -1.01 0.03 0.00 -1.41 0.00 0.00 57.07 55.00 2nto s TYR 5 Cb -0.16 -0.24 0.00 0.00 -1.10 0.00 0.00 41.96 40.46 2nto s TYR 5 CO 0.13 -0.69 -0.10 0.21 -2.51 0.00 0.00 175.55 172.58 2nto s LYS 6 N -4.04 1.11 -0.16 -3.49 2.36 -1.26 -0.53 119.74 113.73 2nto s LYS 6 Ca 0.24 -0.36 -0.38 0.00 -2.55 0.00 0.00 55.97 52.92 2nto s LYS 6 Cb 0.05 -1.02 -0.15 0.00 -1.05 0.00 0.00 37.83 35.66 2nto s LYS 6 CO 0.04 0.14 1.69 0.28 1.55 0.00 0.00 175.35 179.05 2nto n VAL 7 N 3.27 0.29 -0.45 4.02 0.31 -1.26 -1.94 118.33 122.56 2nto n VAL 7 Ca -0.18 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 2nto n VAL 7 Cb 0.54 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 2nto n VAL 7 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2nto n GLY 8 N 3.89 2.02 0.68 2.92 0.00 -1.26 -5.01 105.19 108.44 2nto n GLY 8 Ca 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.21 2nto n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nto n ALA 9 N 0.40 -0.18 0.32 4.61 0.00 -0.82 -4.86 120.51 119.99 2nto n ALA 9 Ca 0.00 -0.32 0.15 0.00 0.00 0.00 0.00 53.44 53.27 2nto n ALA 9 Cb 0.00 0.01 0.65 0.00 0.00 0.00 0.00 19.45 20.11 2nto n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nto h SER 11 N 0.00 0.00 0.25 0.00 4.64 -1.86 -2.56 113.55 114.03 2nto h SER 11 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2nto h SER 11 Cb 0.36 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 2nto h SER 11 CO 0.00 0.00 -0.25 0.25 -0.87 0.00 0.00 176.83 175.96 2nto h LEU 12 N 0.00 0.00 0.24 5.97 5.85 -1.42 -1.85 115.31 124.10 2nto h LEU 12 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2nto h LEU 12 Cb 0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2nto h LEU 12 CO 0.00 0.25 -0.12 0.00 -0.34 0.00 0.00 178.44 178.23 2nto h ALA 13 N 1.75 -0.32 -0.26 1.25 0.00 -1.68 -0.46 119.26 119.54 2nto h ALA 13 Ca -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2nto h ALA 13 Cb 0.44 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2nto h ALA 13 CO 0.03 -0.54 0.01 -1.00 0.00 0.00 0.00 179.25 177.75 2nto h PRO 14 N -0.60 0.38 -0.46 0.00 0.13 -1.74 -1.52 132.00 128.19 2nto h PRO 14 Ca -0.03 -0.07 0.06 0.00 -0.87 0.00 0.00 66.00 65.09 2nto h PRO 14 Cb 0.43 -0.06 -0.05 0.00 0.13 0.00 0.00 31.00 31.45 2nto h PRO 14 CO 0.05 0.41 0.18 1.25 -0.23 0.00 0.00 178.00 179.66 2nto h HIS 15 N 0.37 0.32 -0.55 1.56 2.76 -1.13 0.14 115.15 118.62 2nto h HIS 15 Ca 0.09 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.26 2nto h HIS 15 Cb 0.24 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.10 2nto h HIS 15 CO 0.01 0.12 0.27 0.82 -1.30 0.00 0.00 177.93 177.85 2nto h ILE 16 N 0.36 1.20 -0.35 6.26 2.04 -0.50 -2.07 117.51 124.45 2nto h ILE 16 Ca 0.21 -0.56 -0.16 0.00 1.00 0.00 0.00 64.86 65.35 2nto h ILE 16 Cb 0.20 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2nto h ILE 16 CO -0.21 0.23 -0.43 0.40 0.00 0.00 0.00 178.15 178.14 2nto h ILE 17 N 0.75 1.27 -0.61 -0.67 1.08 -0.76 -0.11 117.51 118.47 2nto h ILE 17 Ca 0.19 -1.61 0.09 0.00 -0.39 0.00 0.00 64.86 63.14 2nto h ILE 17 Cb 0.11 1.46 -0.07 0.00 -3.07 0.00 0.00 36.82 35.25 2nto h ILE 17 CO -0.03 0.53 0.25 -0.07 -0.69 0.00 0.00 178.15 178.15 2nto h LEU 18 N 0.71 0.28 -0.48 1.44 3.38 -0.62 0.45 115.31 120.47 2nto h LEU 18 Ca 0.05 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2nto h LEU 18 Cb 1.02 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 2nto h LEU 18 CO 0.10 0.17 0.11 -1.28 0.09 0.00 0.00 178.44 177.63 2nto h SER 19 N 0.45 0.74 0.10 -0.43 0.87 -0.85 -2.71 113.55 111.72 2nto h SER 19 Ca 0.30 -0.24 -0.07 0.00 -1.23 0.00 0.00 61.79 60.55 2nto h SER 19 Cb 0.34 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 2nto h SER 19 CO -0.28 0.79 -0.22 -0.33 -0.53 0.00 0.00 176.83 176.26 2nto h GLU 20 N 0.66 0.23 0.00 2.24 4.39 -0.73 -2.97 114.58 118.40 2nto h GLU 20 Ca 0.15 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.71 2nto h GLU 20 Cb 0.34 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2nto h GLU 20 CO 0.00 0.44 -0.33 0.00 -1.16 0.00 0.00 179.01 177.97 2nto h ALA 21 N 1.57 0.86 0.00 3.43 0.00 -0.65 -3.47 119.26 120.99 2nto h ALA 21 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2nto h ALA 21 Cb 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2nto h ALA 21 CO 0.03 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.11 2nto n GLY 22 N 0.75 1.72 0.00 0.00 0.00 -1.04 -4.70 105.19 101.92 2nto n GLY 22 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2nto n GLY 22 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2nto n LEU 23 N 0.00 0.00 -4.71 0.99 4.77 -1.26 -4.96 117.00 111.83 2nto n LEU 23 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 2nto n LEU 23 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2nto n LEU 23 CO 0.00 0.00 1.13 -2.16 -1.33 0.00 0.00 177.39 175.03 2nto s PRO 24 N 0.00 4.28 0.18 3.23 0.04 -1.26 -4.82 135.00 136.65 2nto s PRO 24 Ca 0.00 2.16 -0.09 0.00 0.04 0.00 0.00 61.00 63.11 2nto s PRO 24 Cb 0.00 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 2nto s PRO 24 CO 0.00 -0.51 0.30 1.52 0.04 0.00 0.00 177.00 178.36 2nto s TYR 25 N 1.27 0.43 0.40 0.56 -0.85 -1.26 -3.74 117.35 114.16 2nto s TYR 25 Ca 0.67 -0.79 0.08 0.00 -0.52 0.00 0.00 57.07 56.50 2nto s TYR 25 Cb -0.39 -0.05 -0.07 0.00 0.38 0.00 0.00 41.96 41.83 2nto s TYR 25 CO 0.30 -0.75 0.01 -1.21 -1.52 0.00 0.00 175.55 172.38 2nto s GLU 26 N -3.99 1.96 -0.03 -3.49 8.01 0.93 -4.92 118.70 117.18 2nto s GLU 26 Ca 0.19 -2.05 0.03 0.00 0.01 0.00 0.00 54.97 53.15 2nto s GLU 26 Cb 0.03 -1.69 0.00 0.00 -4.31 0.00 0.00 34.13 28.16 2nto s GLU 26 CO 0.02 -0.02 -0.10 -0.51 0.01 0.00 0.00 175.26 174.66 2nto s LEU 27 N -3.71 1.83 -0.23 1.80 1.43 -1.26 -1.16 118.68 117.38 2nto s LEU 27 Ca 0.35 -0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 2nto s LEU 27 Cb 0.08 -0.62 0.07 0.00 0.03 0.00 0.00 46.19 45.75 2nto s LEU 27 CO 0.18 0.09 0.05 -1.61 0.23 0.00 0.00 176.35 175.29 2nto s GLU 28 N 0.11 0.74 0.26 1.70 0.41 -0.23 -4.93 118.70 116.75 2nto s GLU 28 Ca -0.02 -0.64 -0.30 0.00 -0.41 0.00 0.00 54.97 53.61 2nto s GLU 28 Cb -0.08 -2.09 -0.09 0.00 -1.78 0.00 0.00 34.13 30.09 2nto s GLU 28 CO 0.01 -0.74 1.13 0.00 -0.49 0.00 0.00 175.26 175.17 2nto s ALA 29 N 1.77 3.42 -0.15 5.21 0.00 -1.26 -1.46 121.76 129.29 2nto s ALA 29 Ca 0.02 0.92 -0.01 0.00 0.00 0.00 0.00 51.96 52.88 2nto s ALA 29 Cb -0.17 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 2nto s ALA 29 CO -0.13 -0.23 -0.10 0.08 0.00 0.00 0.00 175.76 175.38 2nto s VAL 30 N -0.89 3.28 -0.71 0.00 1.01 0.31 -3.47 120.40 119.93 2nto s VAL 30 Ca 0.47 -0.57 -0.26 0.00 0.00 0.00 0.00 61.98 61.61 2nto s VAL 30 Cb -0.32 -2.41 -0.00 0.00 0.00 0.00 0.00 36.38 33.64 2nto s VAL 30 CO 0.41 0.51 1.67 -0.62 0.00 0.00 0.00 175.10 177.06 2nto s ASP 31 N 0.48 5.60 0.24 3.32 -1.08 -0.14 -4.70 116.67 120.40 2nto s ASP 31 Ca -0.07 -0.13 0.04 0.00 -0.52 0.00 0.00 52.55 51.87 2nto s ASP 31 Cb -0.15 -2.54 0.28 0.00 -1.46 0.00 0.00 42.92 39.04 2nto s ASP 31 CO 0.04 -2.20 1.59 0.25 0.52 0.00 0.00 175.17 175.36 2nto h LEU 32 N 15.32 0.30 0.58 -1.34 5.85 -1.96 0.18 115.31 134.25 2nto h LEU 32 Ca -0.20 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 2nto h LEU 32 Cb 1.10 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 42.05 2nto h LEU 32 CO 1.25 0.80 -0.28 0.11 -0.34 0.00 0.00 178.44 179.98 2nto h LYS 33 N 0.21 -0.75 -0.00 1.25 1.57 -1.97 -3.16 116.57 113.71 2nto h LYS 33 Ca 0.00 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2nto h LYS 33 Cb 1.04 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2nto h LYS 33 CO 0.09 -0.44 -0.00 0.00 -0.57 0.00 0.00 179.45 178.52 2nto n ALA 34 N -2.54 2.39 -3.60 3.86 0.00 -1.23 -4.95 120.51 114.44 2nto n ALA 34 Ca -0.12 -0.12 -0.27 0.00 0.00 0.00 0.00 53.44 52.93 2nto n ALA 34 Cb 0.34 -1.48 0.05 0.00 0.00 0.00 0.00 19.45 18.36 2nto n ALA 34 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2nto n LYS 35 N -1.41 -1.72 -4.55 0.00 4.01 0.52 -4.92 118.16 110.09 2nto n LYS 35 Ca 0.10 0.55 -0.21 0.00 -0.51 0.00 0.00 58.31 58.24 2nto n LYS 35 Cb 0.30 -4.55 -0.15 0.00 -0.51 0.00 0.00 35.03 30.12 2nto n LYS 35 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2nto s LYS 36 N -5.66 1.04 0.98 1.97 1.02 -0.55 -1.05 119.74 117.49 2nto s LYS 36 Ca 0.43 -0.53 -0.14 0.00 0.02 0.00 0.00 55.97 55.75 2nto s LYS 36 Cb -0.13 -1.02 0.18 0.00 -0.52 0.00 0.00 37.83 36.34 2nto s LYS 36 CO 0.83 0.27 1.16 0.95 -0.92 0.00 0.00 175.35 177.64 2nto s THR 37 N -0.42 1.93 0.37 2.17 -4.23 -0.08 -0.96 115.64 114.42 2nto s THR 37 Ca 0.04 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.63 2nto s THR 37 Cb -0.06 -2.72 0.17 0.00 1.34 0.00 0.00 72.50 71.24 2nto s THR 37 CO -0.00 0.00 1.92 0.00 -0.54 0.00 0.00 174.62 176.00 2nto h ALA 38 N -1.75 1.49 -0.06 3.99 0.00 -1.89 -1.10 119.26 119.94 2nto h ALA 38 Ca -0.49 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2nto h ALA 38 Cb 1.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2nto h ALA 38 CO 0.53 0.37 0.00 -0.40 0.00 0.00 0.00 179.25 179.75 2nto n ASP 39 N -4.30 0.59 0.00 0.00 5.68 -1.26 -4.86 116.55 112.40 2nto n ASP 39 Ca 0.00 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.28 2nto n ASP 39 Cb 0.23 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 2nto n ASP 39 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2nto n GLY 40 N 0.47 0.73 3.86 6.12 0.00 -0.42 -5.04 105.19 110.91 2nto n GLY 40 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2nto n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2nto s GLY 41 N -1.94 1.60 -0.47 -0.02 0.00 -1.25 -4.75 107.32 100.49 2nto s GLY 41 Ca 0.00 -0.65 -0.25 0.00 0.00 0.00 0.00 44.72 43.81 2nto s GLY 41 CO 0.00 -0.12 0.94 -0.35 0.00 0.00 0.00 173.10 173.57 2nto s ASP 42 N -4.42 6.49 0.60 1.64 2.15 -1.26 -0.90 116.67 120.96 2nto s ASP 42 Ca 0.64 0.08 0.31 0.00 0.43 0.00 0.00 52.55 54.01 2nto s ASP 42 Cb -0.12 -2.45 1.84 0.00 -0.30 0.00 0.00 42.92 41.89 2nto s ASP 42 CO 0.51 -1.08 2.24 0.22 -0.17 0.00 0.00 175.17 176.89 2nto h TYR 43 N 9.11 0.00 0.00 -5.34 3.20 -1.39 -2.20 116.97 120.36 2nto h TYR 43 Ca -0.24 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.62 2nto h TYR 43 Cb 1.07 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.34 2nto h TYR 43 CO 0.88 0.00 -0.03 0.74 -1.64 0.00 0.00 178.16 178.11 2nto h PHE 44 N 0.00 0.00 0.00 -3.82 -1.00 -1.74 -0.44 116.94 109.94 2nto h PHE 44 Ca 0.01 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.71 2nto h PHE 44 Cb 0.08 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 2nto h PHE 44 CO 0.00 0.03 -0.39 0.00 -1.61 0.00 0.00 178.31 176.33 2nto h ALA 45 N 1.97 0.96 0.00 2.45 0.00 -1.78 -2.05 119.26 120.81 2nto h ALA 45 Ca -0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 2nto h ALA 45 Cb 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2nto h ALA 45 CO 0.00 0.49 -0.31 0.28 0.00 0.00 0.00 179.25 179.71 2nto h VAL 46 N 0.00 0.87 -3.34 0.00 2.07 -1.29 -3.44 116.25 111.12 2nto h VAL 46 Ca -0.00 -1.74 -0.60 0.00 0.82 0.00 0.00 66.70 65.17 2nto h VAL 46 Cb 0.95 1.73 -0.40 0.00 -1.52 0.00 0.00 31.29 32.05 2nto h VAL 46 CO 0.05 0.29 -0.75 0.21 0.02 0.00 0.00 177.57 177.39 2nto s ASN 47 N -6.08 4.13 0.64 0.57 2.47 -0.42 -4.94 114.94 111.31 2nto s ASN 47 Ca -0.15 -1.67 0.35 0.00 0.42 0.00 0.00 52.86 51.81 2nto s ASN 47 Cb 0.00 -1.07 1.91 0.00 -1.45 0.00 0.00 41.25 40.65 2nto s ASN 47 CO 0.41 -0.38 2.14 -0.65 -3.72 0.00 0.00 177.10 174.89 2nto h PRO 48 N 7.97 0.00 0.00 0.43 0.11 -1.61 0.55 132.00 139.44 2nto h PRO 48 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2nto h PRO 48 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2nto h PRO 48 CO 0.47 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.26 2nto h ARG 49 N 0.00 0.00 -0.18 1.05 -0.00 -1.94 -3.48 114.38 109.83 2nto h ARG 49 Ca 0.03 0.00 -0.08 0.00 -0.50 0.00 0.00 59.98 59.43 2nto h ARG 49 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.32 2nto h ARG 49 CO -0.00 0.00 -0.07 0.41 0.00 0.00 0.00 179.97 180.31 2nto n GLY 50 N 0.09 0.67 3.61 0.04 0.00 0.19 -5.02 105.19 104.78 2nto n GLY 50 Ca 0.01 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 2nto n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nto s ALA 51 N -2.11 3.07 0.13 4.61 0.00 -1.26 -5.01 121.76 121.19 2nto s ALA 51 Ca 0.00 -1.60 0.04 0.00 0.00 0.00 0.00 51.96 50.39 2nto s ALA 51 Cb 0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 2nto s ALA 51 CO 0.00 0.33 0.15 0.14 0.00 0.00 0.00 175.76 176.38 2nto s VAL 52 N -2.13 4.68 0.66 0.00 -7.23 -1.26 -4.45 120.40 110.67 2nto s VAL 52 Ca 0.29 -0.88 -0.11 0.00 -1.81 0.00 0.00 61.98 59.47 2nto s VAL 52 Cb -0.07 -3.35 -0.01 0.00 0.56 0.00 0.00 36.38 33.51 2nto s VAL 52 CO 0.18 -0.02 1.05 -2.16 -0.31 0.00 0.00 175.10 173.84 2nto s PRO 53 N -2.87 3.23 0.03 4.82 0.04 -1.26 -4.60 135.00 134.38 2nto s PRO 53 Ca 0.31 0.75 0.01 0.00 0.04 0.00 0.00 61.00 62.11 2nto s PRO 53 Cb -0.11 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 2nto s PRO 53 CO 0.24 -0.84 -0.05 0.00 0.04 0.00 0.00 177.00 176.39 2nto s ALA 54 N -3.17 0.35 -0.18 8.56 0.00 -1.15 -4.12 121.76 122.04 2nto s ALA 54 Ca 0.57 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.93 2nto s ALA 54 Cb -0.12 0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.11 2nto s ALA 54 CO 0.54 -0.06 -0.03 -1.17 0.00 0.00 0.00 175.76 175.04 2nto s LEU 55 N -1.27 1.68 -0.45 0.00 2.96 0.29 -0.27 118.68 121.61 2nto s LEU 55 Ca -0.10 -0.77 -0.29 0.00 -0.22 0.00 0.00 54.13 52.74 2nto s LEU 55 Cb -0.08 -0.88 0.02 0.00 0.50 0.00 0.00 46.19 45.75 2nto s LEU 55 CO -0.00 -0.22 1.20 -0.70 -1.32 0.00 0.00 176.35 175.31 2nto s GLU 56 N 1.64 3.72 0.06 1.98 2.12 0.43 -0.91 118.70 127.74 2nto s GLU 56 Ca -0.01 0.70 -0.16 0.00 0.36 0.00 0.00 54.97 55.86 2nto s GLU 56 Cb -0.16 -3.92 -0.22 0.00 0.26 0.00 0.00 34.13 30.09 2nto s GLU 56 CO -0.07 -1.38 1.19 0.28 -0.54 0.00 0.00 175.26 174.73 2nto h VAL 57 N 6.24 1.32 -3.03 3.70 2.07 -1.22 -1.35 116.25 123.99 2nto h VAL 57 Ca -0.24 -2.12 0.02 0.00 0.82 0.00 0.00 66.70 65.17 2nto h VAL 57 Cb 1.07 2.36 -0.09 0.00 -1.52 0.00 0.00 31.29 33.11 2nto h VAL 57 CO 1.11 0.65 0.20 -1.59 0.02 0.00 0.00 177.57 177.96 2nto s LYS 58 N -3.38 1.50 -0.09 1.57 -2.85 -1.22 -4.54 119.74 110.73 2nto s LYS 58 Ca -0.11 -0.73 -0.39 0.00 -1.00 0.00 0.00 55.97 53.75 2nto s LYS 58 Cb 0.06 0.59 -0.16 0.00 -2.06 0.00 0.00 37.83 36.26 2nto s LYS 58 CO 0.89 -0.67 1.53 -2.30 0.10 0.00 0.00 175.35 174.89 2nto n PRO 59 N -0.41 1.11 0.00 1.78 -0.02 -1.26 -0.88 135.00 135.32 2nto n PRO 59 Ca -0.11 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 2nto n PRO 59 Cb 0.62 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2nto n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nto n GLY 60 N 3.30 1.46 2.94 -1.23 0.00 -1.26 -5.00 105.19 105.39 2nto n GLY 60 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 2nto n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nto s THR 61 N -2.36 1.74 -0.16 2.61 2.01 -0.06 -5.09 115.64 114.34 2nto s THR 61 Ca 0.00 -1.77 0.01 0.00 0.31 0.00 0.00 61.69 60.24 2nto s THR 61 Cb 0.00 -2.18 0.00 0.00 0.01 0.00 0.00 72.50 70.33 2nto s THR 61 CO 0.00 -0.44 -0.17 -0.69 -0.69 0.00 0.00 174.62 172.63 2nto s VAL 62 N 1.22 2.45 -0.15 3.82 1.01 -1.26 -0.70 120.40 126.79 2nto s VAL 62 Ca 0.05 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 2nto s VAL 62 Cb -0.19 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 2nto s VAL 62 CO -0.11 0.52 0.11 -0.63 0.00 0.00 0.00 175.10 174.99 2nto s ILE 63 N 0.92 5.28 0.36 2.22 -1.09 -0.08 -4.92 121.20 123.89 2nto s ILE 63 Ca -0.04 0.13 0.08 0.00 -2.23 0.00 0.00 60.65 58.60 2nto s ILE 63 Cb -0.15 -3.34 -0.06 0.00 -1.58 0.00 0.00 42.46 37.33 2nto s ILE 63 CO -0.03 0.54 0.02 0.42 -1.23 0.00 0.00 174.94 174.66 2nto s THR 64 N -0.37 2.41 0.00 2.92 -4.23 -1.26 -0.55 115.64 114.56 2nto s THR 64 Ca 0.11 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 2nto s THR 64 Cb -0.12 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 70.89 2nto s THR 64 CO 0.01 -0.14 0.00 0.00 -0.54 0.00 0.00 174.62 173.96 2nto n GLN 65 N -0.97 0.00 -0.26 3.99 1.13 -1.26 -4.57 117.38 115.44 2nto n GLN 65 Ca -0.04 0.21 -0.01 0.00 -1.94 0.00 0.00 57.00 55.22 2nto n GLN 65 Cb 0.64 0.00 0.11 0.00 0.11 0.00 0.00 30.24 31.09 2nto n GLN 65 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 2nto h ASN 66 N 0.00 0.68 -0.99 1.08 2.35 -1.95 -1.03 115.58 115.72 2nto h ASN 66 Ca 0.00 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.81 2nto h ASN 66 Cb 0.00 -0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.19 2nto h ASN 66 CO 0.00 0.45 0.65 0.00 -1.65 0.00 0.00 177.43 176.88 2nto h ALA 67 N 1.35 1.36 -0.10 -0.83 0.00 -1.92 0.12 119.26 119.25 2nto h ALA 67 Ca 0.32 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 55.01 2nto h ALA 67 Cb 0.14 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.59 2nto h ALA 67 CO -0.16 0.54 -0.63 0.00 0.00 0.00 0.00 179.25 179.00 2nto h ALA 68 N 1.43 0.20 -0.28 0.00 0.00 -1.63 -2.59 119.26 116.39 2nto h ALA 68 Ca 0.40 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2nto h ALA 68 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2nto h ALA 68 CO -0.13 0.48 -0.01 0.82 0.00 0.00 0.00 179.25 180.42 2nto h ILE 69 N 0.22 1.26 -0.46 0.00 2.04 -0.98 0.03 117.51 119.62 2nto h ILE 69 Ca -0.05 -0.94 -0.08 0.00 1.00 0.00 0.00 64.86 64.79 2nto h ILE 69 Cb 1.28 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 2nto h ILE 69 CO 0.13 0.30 -0.02 -0.07 0.00 0.00 0.00 178.15 178.48 2nto h LEU 70 N 0.29 0.75 -0.04 1.44 3.38 -0.82 -1.19 115.31 119.11 2nto h LEU 70 Ca 0.08 -0.19 -0.19 0.00 0.09 0.00 0.00 57.88 57.67 2nto h LEU 70 Cb 0.44 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2nto h LEU 70 CO 0.02 0.84 -0.89 1.56 0.09 0.00 0.00 178.44 180.06 2nto h GLN 71 N 0.73 0.00 -0.14 1.13 4.20 -1.42 -2.38 115.11 117.23 2nto h GLN 71 Ca 0.14 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 2nto h GLN 71 Cb 0.48 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2nto h GLN 71 CO 0.02 0.89 0.04 -0.92 -0.67 0.00 0.00 178.83 178.19 2nto h TYR 72 N 0.00 0.23 -0.48 2.96 3.20 -0.67 -0.47 116.97 121.74 2nto h TYR 72 Ca -0.01 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.87 2nto h TYR 72 Cb 1.67 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 39.83 2nto h TYR 72 CO 0.00 0.36 0.25 0.82 -1.64 0.00 0.00 178.16 177.95 2nto h ILE 73 N 0.04 0.98 -0.24 1.81 2.04 -1.28 -2.06 117.51 118.81 2nto h ILE 73 Ca 0.05 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2nto h ILE 73 Cb 0.24 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2nto h ILE 73 CO -0.00 0.09 0.12 1.23 0.00 0.00 0.00 178.15 179.59 2nto h GLY 74 N 0.49 0.36 2.00 5.37 0.00 -1.30 -2.38 103.07 107.62 2nto h GLY 74 Ca 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2nto h GLY 74 CO -0.13 0.17 -0.04 -0.55 0.00 0.00 0.00 176.54 175.99 2nto h ASP 75 N 0.26 0.00 -0.40 0.19 3.32 -0.88 -1.80 116.42 117.11 2nto h ASP 75 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2nto h ASP 75 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2nto h ASP 75 CO -0.01 0.04 0.00 1.41 -1.72 0.00 0.00 179.24 178.96 2nto n HIS 76 N -3.25 1.21 -3.31 4.55 8.25 -0.79 -4.97 115.22 116.91 2nto n HIS 76 Ca -0.01 -0.76 -0.21 0.00 -0.26 0.00 0.00 57.72 56.48 2nto n HIS 76 Cb 0.21 -0.31 0.03 0.00 1.12 0.00 0.00 29.99 31.04 2nto n HIS 76 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2nto s SER 77 N -1.42 5.01 0.00 0.41 1.04 -0.68 -5.00 113.70 113.06 2nto s SER 77 Ca 0.44 -0.92 0.21 0.00 0.48 0.00 0.00 55.95 56.15 2nto s SER 77 Cb 0.33 0.20 0.52 0.00 0.10 0.00 0.00 66.02 67.17 2nto s SER 77 CO 0.14 -1.18 1.44 0.47 0.98 0.00 0.00 173.24 175.09 2nto n ASP 78 N -2.03 3.63 -4.51 7.02 8.00 -1.26 -4.92 116.55 122.48 2nto n ASP 78 Ca 0.09 -1.98 -0.43 0.00 0.71 0.00 0.00 54.79 53.18 2nto n ASP 78 Cb 0.62 -0.38 -0.05 0.00 -0.02 0.00 0.00 41.12 41.30 2nto n ASP 78 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2nto s VAL 79 N -1.12 4.48 0.31 2.53 1.01 -1.26 -4.92 120.40 121.42 2nto s VAL 79 Ca 0.42 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.55 2nto s VAL 79 Cb 0.22 -4.49 0.28 0.00 0.00 0.00 0.00 36.38 32.39 2nto s VAL 79 CO 0.30 -1.05 1.93 0.00 0.00 0.00 0.00 175.10 176.27 2nto h ALA 80 N 9.25 1.53 0.00 5.51 0.00 -1.93 -0.68 119.26 132.94 2nto h ALA 80 Ca -0.26 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2nto h ALA 80 Cb 1.08 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2nto h ALA 80 CO 1.06 0.35 -0.15 0.00 0.00 0.00 0.00 179.25 180.52 2nto h ALA 81 N 1.52 1.30 0.00 0.00 0.00 -1.91 -1.79 119.26 118.37 2nto h ALA 81 Ca 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2nto h ALA 81 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2nto h ALA 81 CO -0.13 0.18 0.00 1.19 0.00 0.00 0.00 179.25 180.49 2nto n PHE 82 N -3.69 0.25 -3.17 0.00 0.99 -0.27 -4.39 117.46 107.18 2nto n PHE 82 Ca -0.02 0.07 -0.20 0.00 -0.00 0.00 0.00 57.45 57.31 2nto n PHE 82 Cb 0.26 -0.62 -0.04 0.00 -1.00 0.00 0.00 39.48 38.08 2nto n PHE 82 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.76 177.12 2nto n LYS 83 N -1.71 0.89 -1.05 -1.08 2.85 -0.67 -4.26 118.16 113.13 2nto n LYS 83 Ca 0.06 -3.27 -0.32 0.00 -1.05 0.00 0.00 58.31 53.73 2nto n LYS 83 Cb 0.36 -1.53 0.13 0.00 -0.65 0.00 0.00 35.03 33.34 2nto n LYS 83 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2nto s PRO 84 N -1.92 1.59 0.32 -1.58 0.04 -1.23 -4.94 135.00 127.28 2nto s PRO 84 Ca 0.38 1.60 -0.28 0.00 0.04 0.00 0.00 61.00 62.74 2nto s PRO 84 Cb 0.29 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.95 2nto s PRO 84 CO -0.09 -2.21 1.13 0.00 0.04 0.00 0.00 177.00 175.87 2nto s ALA 85 N -2.40 3.34 0.00 8.56 0.00 -1.26 -4.76 121.76 125.24 2nto s ALA 85 Ca 0.69 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.58 2nto s ALA 85 Cb -0.25 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2nto s ALA 85 CO 0.53 -0.28 0.00 2.48 0.00 0.00 0.00 175.76 178.49 2nto n TYR 86 N 0.83 0.00 -3.48 0.00 4.11 -1.26 -0.14 117.16 117.22 2nto n TYR 86 Ca 0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 57.90 57.63 2nto n TYR 86 Cb 0.45 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.66 2nto n TYR 86 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 2nto s GLY 87 N 0.00 0.63 0.30 -7.48 0.00 -1.26 -4.96 107.32 94.55 2nto s GLY 87 Ca 0.00 -1.47 -0.26 0.00 0.00 0.00 0.00 44.72 42.98 2nto s GLY 87 CO 0.00 2.15 0.63 -1.14 0.00 0.00 0.00 173.10 174.74 2nto n SER 88 N 4.53 -0.55 -0.15 1.64 3.41 0.81 -4.92 113.62 118.40 2nto n SER 88 Ca 0.05 1.07 0.28 0.00 -0.26 0.00 0.00 58.87 60.01 2nto n SER 88 Cb 0.40 -1.08 0.72 0.00 -0.26 0.00 0.00 64.21 63.98 2nto n SER 88 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2nto h ILE 89 N 1.19 0.43 -0.80 -1.33 1.08 -2.00 0.14 117.51 116.21 2nto h ILE 89 Ca -0.35 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.15 2nto h ILE 89 Cb 1.40 0.50 -0.05 0.00 -3.07 0.00 0.00 36.82 35.60 2nto h ILE 89 CO 0.56 0.00 0.51 -0.33 -0.69 0.00 0.00 178.15 178.20 2nto h GLU 90 N 0.00 0.97 -0.52 2.37 3.07 -1.91 0.13 114.58 118.68 2nto h GLU 90 Ca 0.41 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 59.17 2nto h GLU 90 Cb 1.78 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 29.45 2nto h GLU 90 CO -0.00 0.64 0.17 -0.09 -1.40 0.00 0.00 179.01 178.33 2nto h ARG 91 N 1.00 0.81 -0.83 2.33 9.65 -0.90 -0.92 114.38 125.53 2nto h ARG 91 Ca 0.32 -0.17 -0.02 0.00 -1.10 0.00 0.00 59.98 59.01 2nto h ARG 91 Cb 0.01 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.43 2nto h ARG 91 CO -0.11 0.75 0.43 0.00 2.80 0.00 0.00 179.97 183.83 2nto h ALA 92 N 1.03 1.06 -0.49 2.80 0.00 -1.25 -1.48 119.26 120.93 2nto h ALA 92 Ca 0.17 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 2nto h ALA 92 Cb 0.27 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2nto h ALA 92 CO -0.01 0.59 -0.14 0.00 0.00 0.00 0.00 179.25 179.70 2nto h ARG 93 N 1.16 0.94 -0.07 0.00 2.47 -0.52 0.25 114.38 118.60 2nto h ARG 93 Ca 0.29 -0.35 0.01 0.00 -1.26 0.00 0.00 59.98 58.67 2nto h ARG 93 Cb 0.07 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 2nto h ARG 93 CO -0.04 1.01 -0.01 1.25 0.56 0.00 0.00 179.97 182.74 2nto h LEU 94 N 0.83 -0.04 -0.92 3.04 6.46 -0.87 -2.02 115.31 121.79 2nto h LEU 94 Ca 0.13 0.02 -0.11 0.00 -0.12 0.00 0.00 57.88 57.79 2nto h LEU 94 Cb 0.68 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.63 2nto h LEU 94 CO 0.05 -0.01 -0.47 1.56 -0.62 0.00 0.00 178.44 178.95 2nto h GLN 95 N 0.02 0.16 -0.23 1.25 4.20 -1.05 -1.90 115.11 117.55 2nto h GLN 95 Ca 0.03 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 2nto h GLN 95 Cb 0.04 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2nto h GLN 95 CO -0.06 0.60 0.02 1.49 -0.67 0.00 0.00 178.83 180.21 2nto h GLU 96 N 0.13 0.40 -0.75 1.46 4.81 -0.78 0.37 114.58 120.22 2nto h GLU 96 Ca 0.01 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 2nto h GLU 96 Cb 0.88 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 2nto h GLU 96 CO 0.07 0.55 0.28 0.00 -0.73 0.00 0.00 179.01 179.17 2nto h ALA 97 N 0.83 0.98 -0.49 2.92 0.00 -1.27 0.23 119.26 122.46 2nto h ALA 97 Ca 0.07 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2nto h ALA 97 Cb 0.35 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2nto h ALA 97 CO 0.01 0.62 -0.01 -0.07 0.00 0.00 0.00 179.25 179.80 2nto h LEU 98 N 1.09 0.85 -0.68 0.00 3.38 -1.21 -0.39 115.31 118.35 2nto h LEU 98 Ca 0.25 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.96 2nto h LEU 98 Cb 0.25 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 2nto h LEU 98 CO -0.02 0.96 0.38 1.23 0.09 0.00 0.00 178.44 181.09 2nto h GLY 99 N 0.73 1.00 2.00 0.83 0.00 -0.67 -1.93 103.07 105.02 2nto h GLY 99 Ca 0.14 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 2nto h GLY 99 CO 0.03 0.16 -0.49 -2.75 0.00 0.00 0.00 176.54 173.48 2nto h PHE 100 N 0.70 0.00 -0.42 5.60 3.57 -0.60 -2.01 116.94 123.78 2nto h PHE 100 Ca 0.31 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 2nto h PHE 100 Cb 0.20 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2nto h PHE 100 CO -0.08 0.49 0.16 0.00 -2.23 0.00 0.00 178.31 176.65 2nto h SER 102 N 0.59 0.87 -0.65 0.00 0.87 -0.65 0.13 113.55 114.72 2nto h SER 102 Ca 0.14 -0.30 0.01 0.00 -1.23 0.00 0.00 61.79 60.41 2nto h SER 102 Cb 0.14 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 2nto h SER 102 CO -0.01 1.04 0.43 0.44 -0.53 0.00 0.00 176.83 178.19 2nto h ASP 103 N 0.76 0.74 -0.44 6.23 3.45 -0.91 -0.49 116.42 125.76 2nto h ASP 103 Ca 0.11 -0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.55 2nto h ASP 103 Cb 0.71 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 39.27 2nto h ASP 103 CO 0.05 0.54 0.27 -0.07 -1.57 0.00 0.00 179.24 178.46 2nto h LEU 104 N 0.88 0.52 -0.20 1.55 3.38 -0.71 -2.51 115.31 118.22 2nto h LEU 104 Ca 0.24 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2nto h LEU 104 Cb -0.10 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2nto h LEU 104 CO -0.05 0.42 0.12 -0.74 0.09 0.00 0.00 178.44 178.28 2nto h HIS 105 N 0.58 0.22 -0.89 1.13 2.76 -0.47 -2.00 115.15 116.48 2nto h HIS 105 Ca 0.16 0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.44 2nto h HIS 105 Cb -0.01 -0.07 -0.07 0.00 1.55 0.00 0.00 27.41 28.82 2nto h HIS 105 CO -0.03 0.13 0.57 0.00 -1.30 0.00 0.00 177.93 177.30 2nto h ALA 106 N 1.09 1.66 0.07 5.26 0.00 -0.92 0.48 119.26 126.90 2nto h ALA 106 Ca 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2nto h ALA 106 Cb -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2nto h ALA 106 CO -0.03 0.15 -0.03 0.00 0.00 0.00 0.00 179.25 179.33 2nto h ALA 107 N 1.56 -0.09 -0.43 0.00 0.00 -1.06 -3.25 119.26 115.99 2nto h ALA 107 Ca 0.42 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2nto h ALA 107 Cb 0.45 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2nto h ALA 107 CO -0.18 -0.35 0.13 0.74 0.00 0.00 0.00 179.25 179.58 2nto h PHE 108 N -0.49 0.63 0.00 0.00 0.04 -0.94 -3.08 116.94 113.10 2nto h PHE 108 Ca -0.01 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 2nto h PHE 108 Cb 0.42 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.38 2nto h PHE 108 CO 0.06 0.53 -0.07 0.66 -0.60 0.00 0.00 178.31 178.88 2nto h SER 109 N 0.62 0.00 0.10 2.17 4.64 -0.95 -0.81 113.55 119.33 2nto h SER 109 Ca 0.14 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 2nto h SER 109 Cb 0.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2nto h SER 109 CO -0.01 0.07 -0.06 1.23 -0.87 0.00 0.00 176.83 177.19 2nto h GLY 110 N 0.50 0.00 2.00 -0.77 0.00 -1.63 -2.29 103.07 100.87 2nto h GLY 110 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2nto h GLY 110 CO 0.01 0.00 0.00 -2.00 0.00 0.00 0.00 176.54 174.55 2nto h LEU 111 N 0.00 0.00 -2.34 3.11 5.85 -1.33 -3.01 115.31 117.58 2nto h LEU 111 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2nto h LEU 111 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2nto h LEU 111 CO 0.01 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 178.60 2nto n PHE 112 N -2.80 0.23 -1.96 1.25 3.72 -0.86 -5.00 117.46 112.02 2nto n PHE 112 Ca -0.01 -0.32 -0.38 0.00 -0.05 0.00 0.00 57.45 56.69 2nto n PHE 112 Cb 0.17 -0.02 0.02 0.00 -0.94 0.00 0.00 39.48 38.71 2nto n PHE 112 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2nto s ALA 113 N -0.89 2.92 0.55 4.37 0.00 -1.14 -5.00 121.76 122.56 2nto s ALA 113 Ca 0.15 1.20 -0.17 0.00 0.00 0.00 0.00 51.96 53.13 2nto s ALA 113 Cb 0.08 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 2nto s ALA 113 CO 0.11 -1.08 1.05 -1.25 0.00 0.00 0.00 175.76 174.59 2nto s PRO 114 N -2.77 3.52 -1.43 0.00 0.04 -1.26 -3.80 135.00 129.30 2nto s PRO 114 Ca 0.67 1.26 -0.02 0.00 0.04 0.00 0.00 61.00 62.96 2nto s PRO 114 Cb -0.36 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.13 2nto s PRO 114 CO 0.44 -0.65 0.45 0.09 0.04 0.00 0.00 177.00 177.36 2nto n ASN 115 N -1.62 -0.56 -4.62 6.66 4.13 -1.26 -4.91 115.26 113.09 2nto n ASN 115 Ca 0.09 -1.01 -0.43 0.00 1.68 0.00 0.00 54.58 54.91 2nto n ASN 115 Cb 0.53 -3.03 -0.02 0.00 -1.54 0.00 0.00 39.78 35.72 2nto n ASN 115 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2nto s LEU 116 N -7.00 3.79 0.71 3.41 2.96 -1.25 -5.03 118.68 116.28 2nto s LEU 116 Ca 0.06 0.84 -0.14 0.00 -0.22 0.00 0.00 54.13 54.67 2nto s LEU 116 Cb -0.03 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.14 2nto s LEU 116 CO 0.89 -1.09 1.15 -0.94 -1.32 0.00 0.00 176.35 175.04 2nto s SER 117 N 2.30 4.54 0.21 3.68 1.04 -1.26 -4.84 113.70 119.37 2nto s SER 117 Ca 0.49 2.15 -0.10 0.00 0.48 0.00 0.00 55.95 58.97 2nto s SER 117 Cb -0.11 -2.57 0.24 0.00 0.10 0.00 0.00 66.02 63.68 2nto s SER 117 CO 0.24 -2.02 1.79 -0.33 0.98 0.00 0.00 173.24 173.90 2nto h GLU 118 N -0.31 0.59 -0.29 4.02 5.08 -1.98 -0.15 114.58 121.53 2nto h GLU 118 Ca -0.47 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2nto h GLU 118 Cb 1.27 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 2nto h GLU 118 CO 0.51 0.39 0.19 1.49 -1.00 0.00 0.00 179.01 180.59 2nto h GLU 119 N 0.60 0.37 -0.69 2.33 4.81 -2.00 -1.20 114.58 118.81 2nto h GLU 119 Ca 0.29 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 2nto h GLU 119 Cb 0.22 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 2nto h GLU 119 CO -0.20 0.25 0.34 0.00 -0.73 0.00 0.00 179.01 178.66 2nto h ALA 120 N 1.11 0.89 -0.88 2.92 0.00 -1.86 -2.59 119.26 118.85 2nto h ALA 120 Ca 0.11 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2nto h ALA 120 Cb -0.04 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.43 2nto h ALA 120 CO -0.03 0.45 0.57 -0.09 0.00 0.00 0.00 179.25 180.15 2nto h ARG 121 N 0.96 1.03 -0.52 0.00 2.43 -0.69 -2.12 114.38 115.45 2nto h ARG 121 Ca 0.24 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2nto h ARG 121 Cb 0.11 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 2nto h ARG 121 CO -0.03 0.68 0.32 0.00 -1.51 0.00 0.00 179.97 179.43 2nto h ALA 122 N 1.50 0.67 -0.70 2.80 0.00 -0.83 0.21 119.26 122.91 2nto h ALA 122 Ca 0.36 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.23 2nto h ALA 122 Cb 0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2nto h ALA 122 CO -0.12 0.15 0.45 0.78 0.00 0.00 0.00 179.25 180.51 2nto h GLY 123 N 0.71 0.99 0.99 0.00 0.00 -1.28 -0.99 103.07 103.49 2nto h GLY 123 Ca 0.19 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 2nto h GLY 123 CO -0.04 0.32 0.31 -2.08 0.00 0.00 0.00 176.54 175.05 2nto h VAL 124 N 0.90 1.17 -0.58 4.60 2.07 -0.94 -1.94 116.25 121.53 2nto h VAL 124 Ca 0.27 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 2nto h VAL 124 Cb -0.04 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 2nto h VAL 124 CO -0.08 0.17 0.15 0.40 0.02 0.00 0.00 177.57 178.23 2nto h ILE 125 N 0.71 1.25 -0.76 4.57 1.08 -0.68 0.01 117.51 123.68 2nto h ILE 125 Ca 0.19 -0.88 -0.03 0.00 -0.39 0.00 0.00 64.86 63.75 2nto h ILE 125 Cb 0.01 0.70 -0.04 0.00 -3.07 0.00 0.00 36.82 34.42 2nto h ILE 125 CO -0.03 0.33 0.34 0.00 -0.69 0.00 0.00 178.15 178.09 2nto h ALA 126 N 1.04 1.16 -0.54 1.87 0.00 -0.97 -0.41 119.26 121.40 2nto h ALA 126 Ca 0.19 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2nto h ALA 126 Cb 0.33 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2nto h ALA 126 CO -0.00 0.62 0.01 -0.97 0.00 0.00 0.00 179.25 178.91 2nto h ASN 127 N 1.09 0.93 -0.12 0.00 -0.00 -0.94 -1.89 115.58 114.66 2nto h ASN 127 Ca 0.26 -0.30 0.00 0.00 -0.00 0.00 0.00 56.30 56.26 2nto h ASN 127 Cb 0.15 -0.25 -0.01 0.00 -0.00 0.00 0.00 38.32 38.21 2nto h ASN 127 CO -0.03 1.01 0.08 0.40 -0.00 0.00 0.00 177.43 178.89 2nto h ILE 128 N 0.83 1.03 -0.81 2.57 2.04 -0.59 0.37 117.51 122.96 2nto h ILE 128 Ca 0.16 -0.06 0.07 0.00 1.00 0.00 0.00 64.86 66.03 2nto h ILE 128 Cb 0.52 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 37.39 2nto h ILE 128 CO 0.03 0.03 0.48 0.78 0.00 0.00 0.00 178.15 179.47 2nto h ASN 129 N 0.17 0.72 -0.52 1.72 2.35 -1.00 0.46 115.58 119.48 2nto h ASN 129 Ca 0.04 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.77 2nto h ASN 129 Cb -0.02 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2nto h ASN 129 CO -0.01 0.44 0.11 -0.09 -1.65 0.00 0.00 177.43 176.23 2nto h ARG 130 N 0.85 0.84 -0.43 0.81 2.43 -0.87 -0.17 114.38 117.84 2nto h ARG 130 Ca 0.37 -0.21 -0.14 0.00 -0.81 0.00 0.00 59.98 59.19 2nto h ARG 130 Cb 0.25 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2nto h ARG 130 CO -0.20 0.81 -0.28 0.00 -1.51 0.00 0.00 179.97 178.79 2nto h ARG 131 N 0.73 0.95 -0.36 0.20 2.47 -0.42 -1.82 114.38 116.11 2nto h ARG 131 Ca 0.16 -0.44 -0.11 0.00 -1.26 0.00 0.00 59.98 58.33 2nto h ARG 131 Cb 0.37 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 2nto h ARG 131 CO 0.01 1.10 -0.22 -0.07 0.56 0.00 0.00 179.97 181.35 2nto h LEU 132 N 0.80 0.72 -1.07 3.04 3.38 -0.83 -0.74 115.31 120.60 2nto h LEU 132 Ca 0.09 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 2nto h LEU 132 Cb 0.86 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2nto h LEU 132 CO 0.08 0.92 0.16 1.23 0.09 0.00 0.00 178.44 180.92 2nto h GLY 133 N 0.98 0.88 1.15 0.83 0.00 -0.87 -0.81 103.07 105.24 2nto h GLY 133 Ca 0.09 -0.49 -0.17 0.00 0.00 0.00 0.00 47.33 46.77 2nto h GLY 133 CO 0.05 0.46 -0.43 1.46 0.00 0.00 0.00 176.54 178.08 2nto h GLN 134 N 0.80 0.92 -0.24 4.80 4.20 -0.89 -2.17 115.11 122.54 2nto h GLN 134 Ca 0.18 -0.51 -0.01 0.00 0.06 0.00 0.00 58.65 58.37 2nto h GLN 134 Cb 0.25 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2nto h GLN 134 CO -0.01 1.16 0.10 1.25 -0.67 0.00 0.00 178.83 180.66 2nto h LEU 135 N 0.74 0.32 -0.98 1.46 5.85 -0.95 -1.60 115.31 120.16 2nto h LEU 135 Ca 0.05 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.64 2nto h LEU 135 Cb 1.03 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 2nto h LEU 135 CO 0.10 0.40 0.64 -0.08 -0.34 0.00 0.00 178.44 179.16 2nto h GLU 136 N 0.23 1.21 -0.02 1.25 4.57 -1.12 -1.35 114.58 119.36 2nto h GLU 136 Ca 0.08 -0.07 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 2nto h GLU 136 Cb 0.17 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 2nto h GLU 136 CO -0.01 0.80 -0.48 0.00 -1.18 0.00 0.00 179.01 178.15 2nto h ALA 137 N 1.39 1.18 -0.12 2.92 0.00 -1.15 -3.04 119.26 120.44 2nto h ALA 137 Ca 0.38 -0.44 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 2nto h ALA 137 Cb -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2nto h ALA 137 CO -0.12 0.61 -0.61 0.52 0.00 0.00 0.00 179.25 179.65 2nto h MET 138 N 0.03 0.43 -7.08 0.00 2.86 -0.37 -3.44 114.93 107.36 2nto h MET 138 Ca -0.00 -0.29 -0.48 0.00 -2.06 0.00 0.00 59.70 56.87 2nto h MET 138 Cb 0.86 0.04 0.03 0.00 0.06 0.00 0.00 31.60 32.60 2nto h MET 138 CO 0.06 0.91 0.39 -0.51 1.06 0.00 0.00 176.91 178.82 2nto s LEU 139 N -8.13 3.83 -0.03 1.22 1.43 -0.60 -5.05 118.68 111.35 2nto s LEU 139 Ca -0.06 1.97 0.03 0.00 -1.03 0.00 0.00 54.13 55.04 2nto s LEU 139 Cb 0.11 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.77 2nto s LEU 139 CO 0.83 -0.85 -0.12 -0.55 0.23 0.00 0.00 176.35 175.88 2nto s SER 140 N -1.95 1.59 0.37 2.29 0.15 -1.26 -4.95 113.70 109.93 2nto s SER 140 Ca 0.68 -0.25 0.25 0.00 0.70 0.00 0.00 55.95 57.33 2nto s SER 140 Cb -0.18 -0.46 1.35 0.00 -1.71 0.00 0.00 66.02 65.02 2nto s SER 140 CO 0.21 0.09 1.76 0.44 1.20 0.00 0.00 173.24 176.94 2nto h ASP 141 N 6.39 0.00 0.92 5.45 3.32 -1.96 -1.91 116.42 128.63 2nto h ASP 141 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2nto h ASP 141 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2nto h ASP 141 CO 0.48 0.00 -0.03 0.29 -1.72 0.00 0.00 179.24 178.26 2nto n LYS 142 N -2.37 0.05 -4.95 3.56 5.02 -1.26 -4.83 118.16 113.38 2nto n LYS 142 Ca -0.02 -0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.95 2nto n LYS 142 Cb 0.04 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.40 2nto n LYS 142 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2nto s ASN 143 N -2.95 3.67 0.22 4.39 0.01 -0.72 -4.96 114.94 114.60 2nto s ASN 143 Ca 0.15 -0.40 -0.07 0.00 -0.71 0.00 0.00 52.86 51.83 2nto s ASN 143 Cb 0.19 -1.45 0.19 0.00 0.41 0.00 0.00 41.25 40.58 2nto s ASN 143 CO 0.53 0.18 1.77 0.00 -1.51 0.00 0.00 177.10 178.08 2nto h ALA 144 N 6.58 1.05 -1.16 0.60 0.00 -1.79 -3.45 119.26 121.09 2nto h ALA 144 Ca -0.25 -0.21 -0.61 0.00 0.00 0.00 0.00 54.91 53.84 2nto h ALA 144 Cb 1.22 -0.29 -0.13 0.00 0.00 0.00 0.00 17.79 18.58 2nto h ALA 144 CO 0.52 0.65 -0.54 0.71 0.00 0.00 0.00 179.25 180.59 2nto s TYR 145 N -5.46 1.98 0.15 0.00 1.51 0.30 -4.94 117.35 110.89 2nto s TYR 145 Ca -0.12 -0.99 -0.25 0.00 -1.01 0.00 0.00 57.07 54.70 2nto s TYR 145 Cb 0.16 -1.48 0.02 0.00 -0.11 0.00 0.00 41.96 40.54 2nto s TYR 145 CO 0.84 0.10 1.59 2.35 -1.11 0.00 0.00 175.55 179.32 2nto h TRP 146 N 1.65 -1.06 -0.01 2.71 2.91 -1.86 -2.67 115.95 117.62 2nto h TRP 146 Ca -0.41 0.06 0.00 0.00 1.13 0.00 0.00 58.89 59.67 2nto h TRP 146 Cb 1.28 0.52 0.00 0.00 -0.51 0.00 0.00 29.16 30.45 2nto h TRP 146 CO 1.24 -0.42 -0.22 1.28 -1.03 0.00 0.00 178.44 179.30 2nto n LEU 147 N -5.42 0.99 0.00 0.65 4.77 -1.26 -4.74 117.00 111.99 2nto n LEU 147 Ca -0.01 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 2nto n LEU 147 Cb 0.35 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2nto n LEU 147 CO 0.07 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2nto n GLY 148 N 1.32 0.15 0.21 -0.72 0.00 -1.01 -4.91 105.19 100.23 2nto n GLY 148 Ca 0.13 -0.94 0.07 0.00 0.00 0.00 0.00 46.02 45.28 2nto n GLY 148 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2nto h ASP 149 N 0.00 0.00 -3.70 1.61 3.32 -1.93 0.94 116.42 116.66 2nto h ASP 149 Ca 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 2nto h ASP 149 Cb 0.00 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 39.36 2nto h ASP 149 CO 0.00 0.28 -0.72 -1.81 -1.72 0.00 0.00 179.24 175.28 2nto s ASP 150 N -6.46 4.50 0.19 6.45 1.11 -1.26 -4.63 116.67 116.57 2nto s ASP 150 Ca -0.01 -0.14 -0.31 0.00 0.18 0.00 0.00 52.55 52.27 2nto s ASP 150 Cb 0.12 -1.04 -0.09 0.00 1.07 0.00 0.00 42.92 42.98 2nto s ASP 150 CO 0.66 0.31 1.41 0.12 1.18 0.00 0.00 175.17 178.85 2nto s PHE 151 N -0.91 3.15 0.27 4.23 5.36 -1.26 -4.61 117.98 124.21 2nto s PHE 151 Ca 0.15 1.01 0.02 0.00 -0.96 0.00 0.00 56.93 57.15 2nto s PHE 151 Cb -0.11 -3.73 -0.04 0.00 -0.34 0.00 0.00 43.02 38.79 2nto s PHE 151 CO 0.05 -2.46 0.13 0.95 -1.46 0.00 0.00 175.22 172.43 2nto s THR 152 N 0.46 0.35 0.25 0.12 -4.23 -1.26 -4.74 115.64 106.60 2nto s THR 152 Ca 0.61 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.09 2nto s THR 152 Cb -0.39 -2.56 0.25 0.00 1.34 0.00 0.00 72.50 71.14 2nto s THR 152 CO 0.37 0.00 1.68 1.56 -0.54 0.00 0.00 174.62 177.68 2nto h GLN 153 N 2.36 0.25 0.00 3.99 7.50 -1.94 -0.18 115.11 127.09 2nto h GLN 153 Ca -0.36 -0.02 -0.02 0.00 0.50 0.00 0.00 58.65 58.76 2nto h GLN 153 Cb 1.25 -0.06 -0.00 0.00 0.05 0.00 0.00 27.48 28.72 2nto h GLN 153 CO 0.55 0.17 -0.08 -1.00 -1.50 0.00 0.00 178.83 176.97 2nto h PRO 154 N 0.26 0.00 -0.32 1.46 0.13 -1.94 -1.38 132.00 130.22 2nto h PRO 154 Ca 0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.58 2nto h PRO 154 Cb 0.80 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 2nto h PRO 154 CO -0.55 0.08 0.21 -0.44 -0.23 0.00 0.00 178.00 177.07 2nto h ASP 155 N 0.00 0.36 -0.26 1.44 3.45 -1.44 0.11 116.42 120.09 2nto h ASP 155 Ca -0.00 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.44 2nto h ASP 155 Cb 0.18 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 2nto h ASP 155 CO 0.01 0.26 0.11 0.00 -1.57 0.00 0.00 179.24 178.06 2nto h ALA 156 N 1.12 0.33 -0.04 3.45 0.00 -1.36 -1.34 119.26 121.43 2nto h ALA 156 Ca 0.12 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2nto h ALA 156 Cb -0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2nto h ALA 156 CO -0.03 -0.08 0.02 -0.92 0.00 0.00 0.00 179.25 178.24 2nto h TYR 157 N 0.27 0.05 -0.62 0.00 5.03 -1.16 -2.11 116.97 118.43 2nto h TYR 157 Ca 0.09 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.44 2nto h TYR 157 Cb 0.15 -0.02 -0.05 0.00 1.55 0.00 0.00 36.73 38.37 2nto h TYR 157 CO -0.01 0.13 0.35 0.00 -1.32 0.00 0.00 178.16 177.31 2nto h ALA 158 N 0.91 0.82 -0.77 1.82 0.00 -0.79 -1.88 119.26 119.37 2nto h ALA 158 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2nto h ALA 158 Cb 0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2nto h ALA 158 CO -0.00 0.05 0.49 0.77 0.00 0.00 0.00 179.25 180.56 2nto h SER 159 N 0.67 0.90 -0.45 0.00 0.02 -1.02 -0.87 113.55 112.81 2nto h SER 159 Ca 0.27 -0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 61.04 2nto h SER 159 Cb 0.12 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2nto h SER 159 CO -0.15 0.67 -0.29 0.58 -1.14 0.00 0.00 176.83 176.50 2nto h VAL 160 N 1.05 1.27 -0.28 2.27 2.07 -0.85 -1.20 116.25 120.58 2nto h VAL 160 Ca 0.28 -1.46 -0.04 0.00 0.82 0.00 0.00 66.70 66.31 2nto h VAL 160 Cb -0.09 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2nto h VAL 160 CO -0.06 0.50 0.03 0.40 0.02 0.00 0.00 177.57 178.46 2nto h ILE 161 N 0.83 1.24 -0.74 4.57 2.04 -0.94 -2.08 117.51 122.43 2nto h ILE 161 Ca 0.09 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 2nto h ILE 161 Cb 0.87 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 2nto h ILE 161 CO 0.08 0.27 0.35 0.40 0.00 0.00 0.00 178.15 179.25 2nto h ILE 162 N 0.28 1.23 -0.99 -0.67 2.04 -1.14 -1.71 117.51 116.55 2nto h ILE 162 Ca 0.08 -0.67 0.17 0.00 1.00 0.00 0.00 64.86 65.45 2nto h ILE 162 Cb 0.37 0.30 -0.10 0.00 -0.74 0.00 0.00 36.82 36.65 2nto h ILE 162 CO 0.01 0.28 0.62 1.23 0.00 0.00 0.00 178.15 180.29 2nto h GLY 163 N 1.10 1.63 1.48 5.37 0.00 -0.77 -0.21 103.07 111.67 2nto h GLY 163 Ca 0.25 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 2nto h GLY 163 CO -0.03 0.00 0.18 1.49 0.00 0.00 0.00 176.54 178.18 2nto h TRP 164 N 0.78 0.67 0.30 5.60 6.55 -0.63 -1.25 115.95 127.96 2nto h TRP 164 Ca 0.54 -0.03 -0.01 0.00 0.95 0.00 0.00 58.89 60.34 2nto h TRP 164 Cb 0.83 -0.21 0.00 0.00 -0.86 0.00 0.00 29.16 28.92 2nto h TRP 164 CO -0.00 0.53 -0.14 0.78 -1.05 0.00 0.00 178.44 178.55 2nto h GLY 165 N 0.82 -0.42 0.14 1.49 0.00 -0.97 -1.66 103.07 102.47 2nto h GLY 165 Ca 0.16 0.15 0.08 0.00 0.00 0.00 0.00 47.33 47.73 2nto h GLY 165 CO -0.01 -0.15 -0.14 -2.08 0.00 0.00 0.00 176.54 174.16 2nto h VAL 166 N -0.42 0.53 0.00 4.60 2.07 -1.22 -1.14 116.25 120.67 2nto h VAL 166 Ca -0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2nto h VAL 166 Cb 0.32 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2nto h VAL 166 CO 0.07 0.00 -0.10 1.23 0.02 0.00 0.00 177.57 178.78 2nto h GLY 167 N -0.06 0.00 -1.35 2.17 0.00 -1.14 0.11 103.07 102.81 2nto h GLY 167 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2nto h GLY 167 CO -0.43 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.05 2nto n GLN 168 N -4.30 1.89 -2.82 4.80 1.13 -0.63 -4.92 117.38 112.52 2nto n GLN 168 Ca -0.03 -1.25 -0.20 0.00 -1.94 0.00 0.00 57.00 53.58 2nto n GLN 168 Cb 0.18 -1.32 0.01 0.00 0.11 0.00 0.00 30.24 29.22 2nto n GLN 168 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2nto n LYS 169 N 0.48 -3.27 -2.83 -1.09 5.02 0.39 -4.97 118.16 111.89 2nto n LYS 169 Ca 0.12 0.78 -0.37 0.00 -2.02 0.00 0.00 58.31 56.81 2nto n LYS 169 Cb 0.33 -5.51 -0.06 0.00 -0.02 0.00 0.00 35.03 29.77 2nto n LYS 169 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2nto s LEU 170 N -6.26 4.35 -0.45 -0.35 1.43 -0.49 -5.01 118.68 111.91 2nto s LEU 170 Ca 0.19 1.77 -0.28 0.00 -1.03 0.00 0.00 54.13 54.77 2nto s LEU 170 Cb -0.09 -3.93 0.03 0.00 0.03 0.00 0.00 46.19 42.23 2nto s LEU 170 CO 0.23 -0.04 1.09 -0.62 0.23 0.00 0.00 176.35 177.24 2nto s ASP 171 N -1.61 6.67 -0.00 2.29 2.15 -1.26 -4.55 116.67 120.36 2nto s ASP 171 Ca 0.49 0.53 0.13 0.00 0.43 0.00 0.00 52.55 54.12 2nto s ASP 171 Cb -0.18 -2.53 0.37 0.00 -0.30 0.00 0.00 42.92 40.28 2nto s ASP 171 CO 0.23 -1.15 1.31 0.18 -0.17 0.00 0.00 175.17 175.57 2nto n LEU 172 N 7.56 3.14 0.24 -1.34 4.32 -1.26 -4.67 117.00 125.00 2nto n LEU 172 Ca 0.11 -2.02 0.17 0.00 -0.02 0.00 0.00 56.01 54.25 2nto n LEU 172 Cb 0.49 -0.29 0.79 0.00 -1.62 0.00 0.00 43.42 42.79 2nto n LEU 172 CO 0.68 0.78 0.99 0.77 -1.22 0.00 0.00 177.39 179.39 2nto h SER 173 N 2.45 0.00 -0.00 -1.43 4.64 -2.02 -0.43 113.55 116.76 2nto h SER 173 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2nto h SER 173 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2nto h SER 173 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 2nto n ALA 174 N -1.96 2.68 -3.13 5.18 0.00 -1.26 -4.13 120.51 117.89 2nto n ALA 174 Ca -0.01 -0.20 -0.26 0.00 0.00 0.00 0.00 53.44 52.97 2nto n ALA 174 Cb 0.16 -1.50 -0.05 0.00 0.00 0.00 0.00 19.45 18.05 2nto n ALA 174 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2nto n TYR 175 N -0.98 3.48 -0.05 0.00 4.02 -0.17 -4.95 117.16 118.52 2nto n TYR 175 Ca 0.23 -4.02 -0.01 0.00 -0.01 0.00 0.00 57.90 54.09 2nto n TYR 175 Cb 0.11 -0.50 0.25 0.00 -0.02 0.00 0.00 39.34 39.18 2nto n TYR 175 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2nto h PRO 176 N 3.44 0.64 -0.45 -0.72 0.13 -1.77 -0.87 132.00 132.40 2nto h PRO 176 Ca 0.15 -0.14 -0.03 0.00 -0.87 0.00 0.00 66.00 65.11 2nto h PRO 176 Cb 0.60 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 2nto h PRO 176 CO 0.79 0.63 0.17 0.87 -0.23 0.00 0.00 178.00 180.24 2nto h LYS 177 N 0.61 0.68 -0.83 0.86 1.57 -1.92 0.06 116.57 117.61 2nto h LYS 177 Ca 0.13 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2nto h LYS 177 Cb 0.33 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 2nto h LYS 177 CO 0.01 0.63 0.38 0.00 -0.57 0.00 0.00 179.45 179.90 2nto h ALA 178 N 1.02 1.07 -0.37 3.86 0.00 -1.79 -0.33 119.26 122.72 2nto h ALA 178 Ca 0.15 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2nto h ALA 178 Cb 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2nto h ALA 178 CO -0.01 0.65 -0.22 -0.07 0.00 0.00 0.00 179.25 179.60 2nto h LEU 179 N 1.18 0.83 -0.80 0.00 3.38 -0.91 -2.04 115.31 116.95 2nto h LEU 179 Ca 0.28 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2nto h LEU 179 Cb 0.14 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2nto h LEU 179 CO -0.03 1.07 0.35 0.50 0.09 0.00 0.00 178.44 180.42 2nto h LYS 180 N 0.59 1.17 0.02 1.13 1.63 -0.82 0.11 116.57 120.40 2nto h LYS 180 Ca 0.08 -0.19 0.01 0.00 -0.85 0.00 0.00 60.65 59.70 2nto h LYS 180 Cb 0.78 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 2nto h LYS 180 CO 0.06 0.92 -0.09 1.25 -3.45 0.00 0.00 179.45 178.15 2nto h LEU 181 N 1.14 -0.25 -1.07 5.20 6.46 -0.86 -0.48 115.31 125.45 2nto h LEU 181 Ca 0.27 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 58.05 2nto h LEU 181 Cb 0.16 0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.17 2nto h LEU 181 CO -0.03 -0.13 0.36 -0.09 -0.62 0.00 0.00 178.44 177.93 2nto h ARG 182 N -0.16 1.02 -0.16 1.25 2.43 -1.11 -0.85 114.38 116.80 2nto h ARG 182 Ca 0.03 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2nto h ARG 182 Cb 0.20 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2nto h ARG 182 CO -0.08 0.77 0.10 1.49 -1.51 0.00 0.00 179.97 180.74 2nto h GLU 183 N 1.02 0.21 -0.87 0.20 4.81 -0.67 -0.41 114.58 118.88 2nto h GLU 183 Ca 0.25 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.50 2nto h GLU 183 Cb 0.08 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 2nto h GLU 183 CO -0.04 0.17 0.56 0.00 -0.73 0.00 0.00 179.01 178.97 2nto h ARG 184 N 0.20 1.06 -0.16 1.92 3.08 -0.69 -2.65 114.38 117.14 2nto h ARG 184 Ca 0.06 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2nto h ARG 184 Cb 0.01 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.81 2nto h ARG 184 CO -0.01 0.70 -0.07 0.28 -1.07 0.00 0.00 179.97 179.80 2nto h VAL 185 N 1.10 1.31 0.00 2.04 2.07 -0.76 -3.06 116.25 118.94 2nto h VAL 185 Ca 0.34 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 2nto h VAL 185 Cb -0.01 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2nto h VAL 185 CO -0.11 0.33 -0.05 -0.07 0.02 0.00 0.00 177.57 177.69 2nto h LEU 186 N 0.01 0.00 -0.29 2.57 4.07 -1.00 -2.02 115.31 118.64 2nto h LEU 186 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 2nto h LEU 186 Cb 0.54 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.28 2nto h LEU 186 CO 0.02 0.05 0.00 0.00 -1.08 0.00 0.00 178.44 177.43 2nto h ALA 187 N 1.95 1.00 -2.59 1.53 0.00 -1.37 -3.40 119.26 116.38 2nto h ALA 187 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 2nto h ALA 187 Cb 0.22 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.05 2nto h ALA 187 CO 0.01 0.00 0.98 1.03 0.00 0.00 0.00 179.25 181.27 2nto s ARG 188 N -3.29 4.17 0.25 0.00 0.52 -0.76 -4.92 118.95 114.92 2nto s ARG 188 Ca 0.06 2.49 -0.04 0.00 -0.52 0.00 0.00 55.73 57.72 2nto s ARG 188 Cb 0.06 -3.24 0.36 0.00 0.52 0.00 0.00 34.95 32.66 2nto s ARG 188 CO 0.63 -0.71 1.86 -1.35 0.02 0.00 0.00 175.30 175.75 2nto h PRO 189 N 7.25 1.01 0.00 3.54 0.11 -1.89 -0.77 132.00 141.25 2nto h PRO 189 Ca -0.43 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2nto h PRO 189 Cb 1.20 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2nto h PRO 189 CO 0.94 0.67 0.00 -0.91 -0.21 0.00 0.00 178.00 178.49 2nto h ASN 190 N 1.04 0.00 -0.04 -2.05 -0.26 -1.92 -1.03 115.58 111.32 2nto h ASN 190 Ca 0.40 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.97 2nto h ASN 190 Cb 0.17 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.45 2nto h ASN 190 CO -0.17 0.00 -0.62 0.58 -1.06 0.00 0.00 177.43 176.15 2nto h VAL 191 N 0.00 1.38 -0.41 2.81 2.07 -1.61 -2.94 116.25 117.55 2nto h VAL 191 Ca 0.00 -2.00 -0.05 0.00 0.82 0.00 0.00 66.70 65.47 2nto h VAL 191 Cb 0.68 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 2nto h VAL 191 CO 0.00 0.60 0.06 1.56 0.02 0.00 0.00 177.57 179.81 2nto h GLN 192 N 0.06 0.63 -0.39 1.57 1.08 -0.85 -1.62 115.11 115.59 2nto h GLN 192 Ca -0.07 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 2nto h GLN 192 Cb 1.30 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.61 2nto h GLN 192 CO 0.12 0.60 0.25 -0.22 -0.95 0.00 0.00 178.83 178.64 2nto h LYS 193 N 0.61 0.51 -0.35 1.46 3.64 -1.24 -0.51 116.57 120.69 2nto h LYS 193 Ca 0.13 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2nto h LYS 193 Cb 0.29 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2nto h LYS 193 CO 0.00 0.35 0.11 0.00 -2.27 0.00 0.00 179.45 177.64 2nto h ALA 194 N 1.14 0.46 -0.33 5.00 0.00 -1.26 -1.18 119.26 123.08 2nto h ALA 194 Ca 0.14 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2nto h ALA 194 Cb -0.05 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 2nto h ALA 194 CO -0.03 0.10 0.02 0.74 0.00 0.00 0.00 179.25 180.07 2nto h PHE 195 N 0.41 0.02 -0.89 0.00 0.04 -1.12 -1.92 116.94 113.49 2nto h PHE 195 Ca 0.11 0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.97 2nto h PHE 195 Cb 0.25 0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.38 2nto h PHE 195 CO 0.01 -0.04 0.56 -0.22 -0.60 0.00 0.00 178.31 178.02 2nto h LYS 196 N 0.12 1.00 0.00 1.51 3.64 -0.84 -0.47 116.57 121.52 2nto h LYS 196 Ca 0.16 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2nto h LYS 196 Cb 0.21 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2nto h LYS 196 CO -0.25 0.66 -0.08 0.93 -2.27 0.00 0.00 179.45 178.43 2nto h GLU 197 N 1.03 0.00 -0.64 1.90 5.08 -0.44 -0.32 114.58 121.18 2nto h GLU 197 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 2nto h GLU 197 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2nto h GLU 197 CO -0.17 0.08 0.00 0.39 -1.00 0.00 0.00 179.01 178.32 2nto n GLU 198 N -3.71 2.91 -1.94 2.33 1.02 -0.40 -4.93 120.64 115.92 2nto n GLU 198 Ca -0.02 -2.40 -0.15 0.00 -0.02 0.00 0.00 57.16 54.57 2nto n GLU 198 Cb 0.19 -1.65 -0.03 0.00 -0.02 0.00 0.00 31.44 29.93 2nto n GLU 198 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2nto n GLY 199 N 1.29 0.48 3.90 0.62 0.00 -0.13 -4.91 105.19 106.44 2nto n GLY 199 Ca 0.22 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 2nto n GLY 199 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nto s LEU 200 N -3.92 4.35 0.00 0.99 1.43 -0.32 -5.00 118.68 116.21 2nto s LEU 200 Ca 0.00 0.33 0.26 0.00 -1.03 0.00 0.00 54.13 53.69 2nto s LEU 200 Cb 0.00 -2.63 0.54 0.00 0.03 0.00 0.00 46.19 44.12 2nto s LEU 200 CO 0.00 0.25 1.46 0.59 0.23 0.00 0.00 176.35 178.88