#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1stf s MET 7 N 0.00 2.13 -0.12 2.12 -2.45 -1.26 -4.99 119.30 114.74 1stf s MET 7 Ca 0.00 1.11 -0.11 0.00 -1.25 0.00 0.00 55.69 55.44 1stf s MET 7 Cb 0.00 -4.59 -0.05 0.00 1.25 0.00 0.00 34.83 31.44 1stf s MET 7 CO 0.00 -3.35 0.24 -1.12 1.05 0.00 0.00 175.02 171.84 1stf s SER 8 N 11.26 6.46 0.00 1.11 0.01 -1.26 -4.55 113.70 126.73 1stf s SER 8 Ca 0.91 0.55 0.00 0.00 1.31 0.00 0.00 55.95 58.72 1stf s SER 8 Cb -0.15 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1stf s SER 8 CO 0.22 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.75 1stf n GLY 9 N 2.58 0.92 3.84 3.44 0.00 -1.26 -5.08 105.19 109.62 1stf n GLY 9 Ca -0.16 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1stf n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1stf s ALA 10 N -2.00 3.51 0.82 4.61 0.00 -1.26 -4.86 121.76 122.57 1stf s ALA 10 Ca 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 51.96 51.78 1stf s ALA 10 Cb 0.00 -2.62 0.05 0.00 0.00 0.00 0.00 23.12 20.55 1stf s ALA 10 CO 0.00 0.41 0.88 -2.30 0.00 0.00 0.00 175.76 174.75 1stf n PRO 11 N 0.57 0.07 -0.94 0.00 -0.02 -1.26 -4.77 135.00 128.66 1stf n PRO 11 Ca -0.03 0.09 -0.28 0.00 -2.02 0.00 0.00 63.50 61.25 1stf n PRO 11 Cb 0.52 -2.18 0.20 0.00 -0.02 0.00 0.00 33.50 32.03 1stf n PRO 11 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1stf s SER 12 N -1.98 2.00 0.69 2.55 1.04 0.26 -4.92 113.70 113.33 1stf s SER 12 Ca 0.68 1.31 -0.13 0.00 0.48 0.00 0.00 55.95 58.29 1stf s SER 12 Cb -0.28 -2.02 0.01 0.00 0.10 0.00 0.00 66.02 63.83 1stf s SER 12 CO 0.56 -3.54 1.09 0.00 0.98 0.00 0.00 173.24 172.34 1stf s ALA 13 N -2.78 2.46 -0.07 5.32 0.00 -1.26 -4.47 121.76 120.96 1stf s ALA 13 Ca 0.66 0.40 -0.30 0.00 0.00 0.00 0.00 51.96 52.73 1stf s ALA 13 Cb -0.21 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1stf s ALA 13 CO 0.60 -1.36 1.56 0.99 0.00 0.00 0.00 175.76 177.54 1stf s THR 14 N -2.59 3.71 0.13 0.00 2.01 -1.26 -4.59 115.64 113.04 1stf s THR 14 Ca 0.64 0.89 0.07 0.00 0.31 0.00 0.00 61.69 63.60 1stf s THR 14 Cb -0.18 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 1stf s THR 14 CO 0.47 -0.07 -0.06 -1.10 -0.69 0.00 0.00 174.62 173.17 1stf s GLN 15 N 3.75 2.26 0.09 4.92 -0.21 0.18 -4.94 119.66 125.71 1stf s GLN 15 Ca 0.69 -1.04 -0.12 0.00 0.02 0.00 0.00 55.36 54.91 1stf s GLN 15 Cb -0.31 -2.34 -0.06 0.00 1.00 0.00 0.00 33.01 31.30 1stf s GLN 15 CO 0.26 0.49 0.45 -2.14 -2.12 0.00 0.00 175.29 172.24 1stf s PRO 16 N -2.49 3.85 0.43 2.91 0.02 -1.26 0.42 135.00 138.88 1stf s PRO 16 Ca 0.24 0.31 -0.25 0.00 0.02 0.00 0.00 61.00 61.32 1stf s PRO 16 Cb -0.10 -3.00 -0.09 0.00 0.02 0.00 0.00 34.50 31.32 1stf s PRO 16 CO 0.16 0.55 1.31 0.00 -0.33 0.00 0.00 177.00 178.69 1stf n ALA 17 N 0.98 1.46 -2.70 -1.55 0.00 -0.10 -4.76 120.51 113.85 1stf n ALA 17 Ca -0.08 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1stf n ALA 17 Cb 0.52 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1stf n ALA 17 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1stf n THR 18 N -0.25 0.00 0.13 0.00 -2.24 -1.26 -4.94 114.28 105.72 1stf n THR 18 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1stf n THR 18 Cb 0.40 -0.68 0.11 0.00 -2.10 0.00 0.00 70.33 68.06 1stf n THR 18 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1stf h ALA 19 N 0.03 0.75 -0.47 6.98 0.00 -1.99 -2.20 119.26 122.36 1stf h ALA 19 Ca 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 1stf h ALA 19 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1stf h ALA 19 CO 0.00 0.78 -0.12 1.49 0.00 0.00 0.00 179.25 181.40 1stf h GLU 20 N 0.00 0.91 -0.44 0.00 4.81 -1.99 0.45 114.58 118.33 1stf h GLU 20 Ca -0.01 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 58.86 1stf h GLU 20 Cb 1.28 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 1stf h GLU 20 CO 0.08 1.01 0.24 1.15 -0.73 0.00 0.00 179.01 180.76 1stf h THR 21 N 0.76 1.16 -0.01 0.32 2.02 -1.87 -0.63 112.91 114.66 1stf h THR 21 Ca 0.12 -0.40 -0.13 0.00 0.77 0.00 0.00 66.41 66.77 1stf h THR 21 Cb 0.67 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1stf h THR 21 CO 0.05 0.16 -0.60 -0.61 0.37 0.00 0.00 175.52 174.89 1stf h GLN 22 N 0.58 0.02 -0.07 6.66 5.75 -1.15 -1.46 115.11 125.44 1stf h GLN 22 Ca 0.16 -0.02 -0.18 0.00 -0.15 0.00 0.00 58.65 58.46 1stf h GLN 22 Cb 0.05 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1stf h GLN 22 CO -0.03 0.62 -0.75 1.25 -2.65 0.00 0.00 178.83 177.28 1stf h HIS 23 N 0.02 0.52 -0.26 3.99 2.76 0.07 -0.93 115.15 121.31 1stf h HIS 23 Ca -0.01 -0.23 -0.02 0.00 -2.20 0.00 0.00 60.37 57.91 1stf h HIS 23 Cb 1.07 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.94 1stf h HIS 23 CO 0.00 0.99 0.07 0.82 -1.30 0.00 0.00 177.93 178.51 1stf h ILE 24 N 0.25 1.21 -0.27 6.26 2.04 -0.88 -1.09 117.51 125.04 1stf h ILE 24 Ca -0.03 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.19 1stf h ILE 24 Cb 1.32 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.53 1stf h ILE 24 CO 0.13 0.22 0.00 0.00 0.00 0.00 0.00 178.15 178.50 1stf h ALA 25 N 0.89 0.24 0.00 1.87 0.00 -1.10 -2.66 119.26 118.50 1stf h ALA 25 Ca 0.08 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1stf h ALA 25 Cb 0.27 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1stf h ALA 25 CO 0.00 -0.41 -0.26 -0.44 0.00 0.00 0.00 179.25 178.13 1stf h ASP 26 N 0.09 0.00 0.07 0.00 3.32 -0.80 -0.30 116.42 118.79 1stf h ASP 26 Ca 0.13 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1stf h ASP 26 Cb 0.16 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 1stf h ASP 26 CO -0.21 0.26 -0.02 1.56 -1.72 0.00 0.00 179.24 179.12 1stf h GLN 27 N 0.00 0.00 -0.00 3.56 1.08 -0.84 -3.10 115.11 115.82 1stf h GLN 27 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1stf h GLN 27 Cb 0.58 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 1stf h GLN 27 CO 0.03 0.02 -0.07 0.28 -0.95 0.00 0.00 178.83 178.14 1stf n VAL 28 N -3.63 0.00 -0.31 -0.54 0.31 -0.26 -4.73 118.33 109.17 1stf n VAL 28 Ca -0.03 -0.47 0.10 0.00 -0.01 0.00 0.00 64.34 63.94 1stf n VAL 28 Cb 0.10 1.01 0.23 0.00 -0.91 0.00 0.00 33.84 34.27 1stf n VAL 28 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1stf h ARG 29 N 0.07 0.05 -0.02 5.55 2.43 -1.12 -1.34 114.38 120.01 1stf h ARG 29 Ca 0.00 -0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.93 1stf h ARG 29 Cb 0.05 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1stf h ARG 29 CO 0.00 0.03 -0.95 0.77 -1.51 0.00 0.00 179.97 178.31 1stf h SER 30 N 0.05 0.74 -0.90 -3.80 0.02 -1.85 -1.97 113.55 105.85 1stf h SER 30 Ca 0.52 -0.57 0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1stf h SER 30 Cb 0.99 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 63.24 1stf h SER 30 CO -0.83 1.37 0.57 1.56 -1.14 0.00 0.00 176.83 178.36 1stf h GLN 31 N 0.34 1.01 0.15 3.45 4.20 -1.59 -0.13 115.11 122.53 1stf h GLN 31 Ca -0.09 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 1stf h GLN 31 Cb 1.59 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 29.14 1stf h GLN 31 CO 0.18 0.67 -0.11 1.25 -0.67 0.00 0.00 178.83 180.15 1stf h LEU 32 N 1.04 -0.27 -1.28 1.46 6.46 -1.23 -1.29 115.31 120.18 1stf h LEU 32 Ca 0.39 0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 58.11 1stf h LEU 32 Cb 0.15 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 1stf h LEU 32 CO -0.17 -0.17 -0.14 -0.33 -0.62 0.00 0.00 178.44 177.01 1stf h GLU 33 N -0.26 0.31 0.03 1.25 5.08 -0.69 0.63 114.58 120.94 1stf h GLU 33 Ca -0.01 -0.08 -0.22 0.00 -1.00 0.00 0.00 59.36 58.05 1stf h GLU 33 Cb 0.23 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1stf h GLU 33 CO -0.00 0.46 -0.99 1.49 -1.00 0.00 0.00 179.01 178.97 1stf h GLU 34 N 0.29 0.21 0.14 2.33 4.81 -0.95 -1.67 114.58 119.74 1stf h GLU 34 Ca 0.06 -0.27 -0.28 0.00 -0.13 0.00 0.00 59.36 58.73 1stf h GLU 34 Cb 0.43 0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.91 1stf h GLU 34 CO 0.03 1.04 -1.25 0.87 -0.73 0.00 0.00 179.01 178.96 1stf h LYS 35 N 0.10 0.38 0.00 1.92 1.57 -0.64 -3.24 116.57 116.66 1stf h LYS 35 Ca -0.07 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.13 1stf h LYS 35 Cb 1.66 0.21 0.00 0.00 0.08 0.00 0.00 32.23 34.18 1stf h LYS 35 CO 0.15 1.26 -0.19 0.98 -0.57 0.00 0.00 179.45 181.09 1stf n TYR 36 N -3.62 0.45 -3.63 -1.35 9.36 0.22 -4.94 117.16 113.65 1stf n TYR 36 Ca -0.10 0.13 -0.26 0.00 3.32 0.00 0.00 57.90 60.99 1stf n TYR 36 Cb 1.01 -0.66 0.06 0.00 -0.63 0.00 0.00 39.34 39.12 1stf n TYR 36 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1stf n ASN 37 N -1.90 -5.87 -3.79 2.98 5.15 -0.68 -5.00 115.26 106.16 1stf n ASN 37 Ca 0.06 -0.58 -0.13 0.00 -0.60 0.00 0.00 54.58 53.33 1stf n ASN 37 Cb 0.39 -4.65 -0.14 0.00 -0.53 0.00 0.00 39.78 34.86 1stf n ASN 37 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1stf s LYS 38 N -6.34 0.11 -0.22 1.20 2.20 -0.91 -5.07 119.74 110.72 1stf s LYS 38 Ca 0.58 0.26 -0.12 0.00 -0.36 0.00 0.00 55.97 56.33 1stf s LYS 38 Cb -0.27 -0.06 -0.05 0.00 -1.51 0.00 0.00 37.83 35.95 1stf s LYS 38 CO 0.72 -0.09 0.22 0.15 -0.36 0.00 0.00 175.35 175.99 1stf s LYS 39 N 0.60 4.13 -0.44 4.03 1.02 -1.26 -4.39 119.74 123.43 1stf s LYS 39 Ca -0.04 -0.12 -0.16 0.00 0.02 0.00 0.00 55.97 55.66 1stf s LYS 39 Cb -0.06 -3.51 0.04 0.00 -0.52 0.00 0.00 37.83 33.78 1stf s LYS 39 CO -0.03 0.10 0.40 -0.06 -0.92 0.00 0.00 175.35 174.84 1stf s PHE 40 N 0.93 3.20 0.18 3.18 0.08 -1.26 -4.96 117.98 119.33 1stf s PHE 40 Ca 0.11 -0.60 -0.14 0.00 0.12 0.00 0.00 56.93 56.42 1stf s PHE 40 Cb -0.13 -2.93 0.14 0.00 -0.57 0.00 0.00 43.02 39.52 1stf s PHE 40 CO 0.04 -0.72 1.76 -1.35 -0.10 0.00 0.00 175.22 174.84 1stf h PRO 43 N 8.73 0.36 -5.66 0.24 0.11 -1.96 -3.42 132.00 130.40 1stf h PRO 43 Ca -0.27 -0.02 -0.66 0.00 0.11 0.00 0.00 66.00 65.16 1stf h PRO 43 Cb 1.11 -0.08 -0.12 0.00 0.11 0.00 0.00 31.00 32.02 1stf h PRO 43 CO 0.81 0.24 -0.55 0.08 -0.21 0.00 0.00 178.00 178.37 1stf s VAL 44 N -6.14 4.92 -0.43 3.15 1.01 -1.26 -5.07 120.40 116.59 1stf s VAL 44 Ca -0.13 -0.01 0.08 0.00 0.00 0.00 0.00 61.98 61.92 1stf s VAL 44 Cb 0.14 -3.14 0.26 0.00 0.00 0.00 0.00 36.38 33.63 1stf s VAL 44 CO 0.73 0.57 0.69 0.33 0.00 0.00 0.00 175.10 177.42 1stf n PHE 45 N 2.46 -1.47 -3.72 5.22 7.35 -1.24 -4.45 117.46 121.60 1stf n PHE 45 Ca -0.19 -2.89 -0.38 0.00 -0.76 0.00 0.00 57.45 53.24 1stf n PHE 45 Cb 0.54 0.40 -0.12 0.00 0.35 0.00 0.00 39.48 40.65 1stf n PHE 45 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1stf s LYS 46 N -0.57 3.09 0.09 -4.13 2.20 0.24 -4.90 119.74 115.76 1stf s LYS 46 Ca 0.34 -0.87 -0.35 0.00 -0.36 0.00 0.00 55.97 54.73 1stf s LYS 46 Cb 0.21 -3.45 -0.14 0.00 -1.51 0.00 0.00 37.83 32.94 1stf s LYS 46 CO -0.15 -0.48 1.61 0.00 -0.36 0.00 0.00 175.35 175.97 1stf n ALA 47 N 4.90 0.89 -0.05 3.13 0.00 -1.26 0.10 120.51 128.22 1stf n ALA 47 Ca -0.14 0.42 -0.11 0.00 0.00 0.00 0.00 53.44 53.61 1stf n ALA 47 Cb 0.48 -2.34 -0.04 0.00 0.00 0.00 0.00 19.45 17.55 1stf n ALA 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1stf n VAL 48 N 3.68 0.64 -4.28 0.00 0.31 0.10 -4.76 118.33 114.02 1stf n VAL 48 Ca 0.19 -0.13 -0.15 0.00 -0.01 0.00 0.00 64.34 64.24 1stf n VAL 48 Cb 0.27 -1.66 -0.10 0.00 -0.91 0.00 0.00 33.84 31.44 1stf n VAL 48 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1stf s SER 49 N -5.98 0.92 0.11 4.52 0.01 -1.08 -0.92 113.70 111.28 1stf s SER 49 Ca -0.15 -1.37 -0.17 0.00 1.31 0.00 0.00 55.95 55.57 1stf s SER 49 Cb 0.06 0.22 0.04 0.00 0.21 0.00 0.00 66.02 66.54 1stf s SER 49 CO 0.19 -0.75 0.42 0.72 0.41 0.00 0.00 173.24 174.24 1stf s PHE 50 N -3.85 -0.25 0.07 2.43 -0.71 0.17 -1.31 117.98 114.53 1stf s PHE 50 Ca 0.37 -0.01 0.04 0.00 -1.04 0.00 0.00 56.93 56.29 1stf s PHE 50 Cb 0.08 0.28 -0.03 0.00 -1.21 0.00 0.00 43.02 42.14 1stf s PHE 50 CO 0.12 -0.69 -0.11 0.15 -1.34 0.00 0.00 175.22 173.35 1stf s LYS 51 N -3.56 0.75 0.20 1.99 1.02 -0.67 0.52 119.74 119.99 1stf s LYS 51 Ca 0.01 -0.99 0.11 0.00 0.02 0.00 0.00 55.97 55.13 1stf s LYS 51 Cb 0.01 -0.56 -0.04 0.00 -0.52 0.00 0.00 37.83 36.72 1stf s LYS 51 CO -0.10 0.10 -0.21 -1.12 -0.92 0.00 0.00 175.35 173.10 1stf s SER 52 N -1.99 3.59 -0.03 2.83 0.01 -1.26 -0.82 113.70 116.02 1stf s SER 52 Ca -0.01 -0.85 -0.03 0.00 1.31 0.00 0.00 55.95 56.37 1stf s SER 52 Cb -0.07 -0.33 0.01 0.00 0.21 0.00 0.00 66.02 65.83 1stf s SER 52 CO 0.01 0.11 0.09 0.00 0.41 0.00 0.00 173.24 173.85 1stf s GLN 53 N -2.82 0.14 -0.41 12.44 -2.07 -0.55 0.89 119.66 127.28 1stf s GLN 53 Ca 0.23 0.07 -0.24 0.00 -1.82 0.00 0.00 55.36 53.60 1stf s GLN 53 Cb -0.08 0.06 0.02 0.00 -1.09 0.00 0.00 33.01 31.93 1stf s GLN 53 CO 0.11 -0.02 0.81 0.08 -1.32 0.00 0.00 175.29 174.95 1stf s VAL 54 N -0.10 4.66 0.00 3.63 1.01 -1.26 -1.22 120.40 127.12 1stf s VAL 54 Ca -0.02 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1stf s VAL 54 Cb -0.01 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.08 1stf s VAL 54 CO 0.00 -0.61 0.00 1.33 0.00 0.00 0.00 175.10 175.83 1stf n VAL 55 N 6.03 0.00 -1.08 2.92 0.24 -1.26 -4.83 118.33 120.34 1stf n VAL 55 Ca 0.03 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.17 1stf n VAL 55 Cb 0.48 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.71 1stf n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1stf n ALA 56 N -3.00 6.53 0.00 2.33 0.00 -1.26 -4.70 120.51 120.40 1stf n ALA 56 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 53.44 51.30 1stf n ALA 56 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.02 1stf n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1stf n GLY 57 N 2.49 0.16 2.80 0.00 0.00 -1.26 -4.22 105.19 105.16 1stf n GLY 57 Ca 0.48 -1.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.08 1stf n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1stf s THR 58 N -3.79 -0.09 -0.09 2.61 2.01 0.24 -4.61 115.64 111.93 1stf s THR 58 Ca 0.00 0.26 -0.21 0.00 0.31 0.00 0.00 61.69 62.05 1stf s THR 58 Cb 0.00 -0.16 -0.04 0.00 0.01 0.00 0.00 72.50 72.31 1stf s THR 58 CO 0.00 0.11 0.61 0.20 -0.69 0.00 0.00 174.62 174.85 1stf s ASN 59 N 1.43 6.87 -0.12 3.53 0.01 -0.36 -0.55 114.94 125.75 1stf s ASN 59 Ca -0.05 1.05 -0.02 0.00 -0.71 0.00 0.00 52.86 53.12 1stf s ASN 59 Cb -0.12 -2.36 -0.03 0.00 0.41 0.00 0.00 41.25 39.15 1stf s ASN 59 CO -0.04 -0.07 -0.04 -0.31 -1.51 0.00 0.00 177.10 175.13 1stf s TYR 60 N 0.72 3.01 -0.33 2.20 2.02 0.34 -1.48 117.35 123.83 1stf s TYR 60 Ca 0.33 -0.15 -0.05 0.00 -0.37 0.00 0.00 57.07 56.84 1stf s TYR 60 Cb -0.17 -1.86 0.05 0.00 -0.40 0.00 0.00 41.96 39.58 1stf s TYR 60 CO 0.15 0.14 0.08 -0.06 -1.57 0.00 0.00 175.55 174.29 1stf s PHE 61 N -0.15 3.28 -0.13 2.71 0.08 0.00 -0.65 117.98 123.12 1stf s PHE 61 Ca 0.03 -1.62 0.03 0.00 0.12 0.00 0.00 56.93 55.48 1stf s PHE 61 Cb -0.13 -2.29 0.01 0.00 -0.57 0.00 0.00 43.02 40.04 1stf s PHE 61 CO 0.03 -0.77 -0.22 0.42 -0.10 0.00 0.00 175.22 174.58 1stf s ILE 62 N 1.34 2.14 -0.30 0.64 1.01 -0.22 -1.67 121.20 124.15 1stf s ILE 62 Ca -0.02 -0.96 -0.18 0.00 0.00 0.00 0.00 60.65 59.49 1stf s ILE 62 Cb -0.20 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 1stf s ILE 62 CO 0.01 0.55 0.49 -0.75 0.00 0.00 0.00 174.94 175.25 1stf s LYS 63 N 0.67 3.88 -0.17 2.79 2.20 -0.43 -0.71 119.74 127.98 1stf s LYS 63 Ca -0.10 0.09 -0.02 0.00 -0.36 0.00 0.00 55.97 55.58 1stf s LYS 63 Cb -0.16 -3.71 -0.01 0.00 -1.51 0.00 0.00 37.83 32.43 1stf s LYS 63 CO 0.01 -0.46 -0.10 0.08 -0.36 0.00 0.00 175.35 174.53 1stf s VAL 64 N 2.31 3.15 -0.33 4.02 1.01 -0.47 0.03 120.40 130.12 1stf s VAL 64 Ca 0.19 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 1stf s VAL 64 Cb -0.16 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 33.87 1stf s VAL 64 CO 0.11 0.49 1.11 -2.28 0.00 0.00 0.00 175.10 174.53 1stf s HIS 65 N 0.84 3.05 -0.45 5.22 2.46 0.29 -1.97 115.29 124.72 1stf s HIS 65 Ca -0.03 1.10 0.06 0.00 0.47 0.00 0.00 55.06 56.65 1stf s HIS 65 Cb -0.15 -3.81 -0.02 0.00 -0.13 0.00 0.00 32.58 28.48 1stf s HIS 65 CO 0.01 -0.95 0.41 1.55 -2.47 0.00 0.00 174.74 173.28 1stf n VAL 66 N 6.03 0.00 0.00 0.89 3.14 0.03 -0.60 118.33 127.82 1stf n VAL 66 Ca 0.12 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 61.08 1stf n VAL 66 Cb 0.47 1.05 0.00 0.00 -1.06 0.00 0.00 33.84 34.30 1stf n VAL 66 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1stf n GLY 67 N 0.82 3.01 0.78 7.55 0.00 -0.87 -4.31 105.19 112.17 1stf n GLY 67 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1stf n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1stf n ASP 68 N 0.00 0.00 -0.23 1.61 9.92 -1.26 -4.76 116.55 121.83 1stf n ASP 68 Ca 0.00 0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.35 1stf n ASP 68 Cb 0.00 0.00 0.16 0.00 -0.64 0.00 0.00 41.12 40.64 1stf n ASP 68 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1stf n GLU 92 N -1.97 1.35 -4.22 -1.24 4.07 -1.26 -5.02 120.64 112.36 1stf n GLU 92 Ca 0.00 -2.76 -0.34 0.00 -0.06 0.00 0.00 57.16 54.00 1stf n GLU 92 Cb 0.00 -1.52 -0.12 0.00 -0.06 0.00 0.00 31.44 29.74 1stf n GLU 92 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1stf s ASP 93 N -2.96 4.86 0.22 4.31 2.15 -1.26 -4.47 116.67 119.52 1stf s ASP 93 Ca 0.33 -0.15 0.09 0.00 0.43 0.00 0.00 52.55 53.25 1stf s ASP 93 Cb 0.30 -1.81 -0.05 0.00 -0.30 0.00 0.00 42.92 41.06 1stf s ASP 93 CO 0.00 0.12 -0.16 -0.36 -0.17 0.00 0.00 175.17 174.60 1stf s PHE 94 N 0.68 1.86 0.00 -5.34 0.40 -1.03 -0.79 117.98 113.76 1stf s PHE 94 Ca -0.01 -0.51 0.01 0.00 -0.60 0.00 0.00 56.93 55.83 1stf s PHE 94 Cb -0.14 -0.85 -0.01 0.00 0.51 0.00 0.00 43.02 42.53 1stf s PHE 94 CO 0.02 0.45 -0.05 0.08 0.70 0.00 0.00 175.22 176.42 1stf s VAL 95 N -2.80 0.37 -0.12 -0.44 1.01 -0.83 -1.81 120.40 115.78 1stf s VAL 95 Ca 0.24 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 1stf s VAL 95 Cb -0.02 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1stf s VAL 95 CO 0.09 0.04 0.06 -1.00 0.00 0.00 0.00 175.10 174.29 1stf s HIS 96 N -0.27 3.34 -0.00 5.22 3.76 -0.14 -1.37 115.29 125.84 1stf s HIS 96 Ca 0.00 0.29 0.05 0.00 -0.15 0.00 0.00 55.06 55.26 1stf s HIS 96 Cb -0.03 -1.90 -0.03 0.00 1.11 0.00 0.00 32.58 31.73 1stf s HIS 96 CO -0.00 0.51 -0.16 -0.51 -0.85 0.00 0.00 174.74 173.72 1stf s LEU 97 N -0.69 2.66 -0.29 0.89 1.02 0.11 -0.82 118.68 121.56 1stf s LEU 97 Ca 0.12 -0.31 0.02 0.00 0.02 0.00 0.00 54.13 53.97 1stf s LEU 97 Cb -0.12 -1.54 0.07 0.00 0.02 0.00 0.00 46.19 44.61 1stf s LEU 97 CO 0.02 0.30 -0.05 -0.60 0.02 0.00 0.00 176.35 176.04 1stf s ARG 98 N -1.08 2.17 -0.14 1.70 3.52 0.68 -1.06 118.95 124.74 1stf s ARG 98 Ca 0.13 -1.42 -0.01 0.00 -0.13 0.00 0.00 55.73 54.30 1stf s ARG 98 Cb -0.11 -3.03 -0.01 0.00 -1.56 0.00 0.00 34.95 30.24 1stf s ARG 98 CO 0.03 -0.65 -0.12 0.08 -0.81 0.00 0.00 175.30 173.83 1stf s VAL 99 N 1.11 3.09 -0.21 7.11 1.01 0.18 -0.99 120.40 131.70 1stf s VAL 99 Ca -0.05 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.13 1stf s VAL 99 Cb -0.20 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1stf s VAL 99 CO -0.04 0.52 0.41 0.12 0.00 0.00 0.00 175.10 176.10 1stf s PHE 100 N 0.46 3.36 -0.21 5.22 5.36 0.96 -0.51 117.98 132.62 1stf s PHE 100 Ca -0.09 0.60 -0.04 0.00 -0.96 0.00 0.00 56.93 56.45 1stf s PHE 100 Cb -0.16 -2.54 -0.01 0.00 -0.34 0.00 0.00 43.02 39.97 1stf s PHE 100 CO 0.04 -0.05 -0.04 -1.14 -1.46 0.00 0.00 175.22 172.57 1stf s GLN 101 N 1.44 3.41 1.01 10.12 0.74 0.28 -1.51 119.66 135.16 1stf s GLN 101 Ca 0.19 -0.61 -0.12 0.00 0.05 0.00 0.00 55.36 54.87 1stf s GLN 101 Cb -0.15 -2.99 0.20 0.00 1.10 0.00 0.00 33.01 31.17 1stf s GLN 101 CO 0.08 -0.13 1.08 -1.12 -0.55 0.00 0.00 175.29 174.65 1stf s SER 102 N 1.32 2.35 0.33 6.67 0.01 -1.26 0.82 113.70 123.94 1stf s SER 102 Ca 0.04 1.58 -0.29 0.00 1.31 0.00 0.00 55.95 58.60 1stf s SER 102 Cb -0.14 -2.25 -0.10 0.00 0.21 0.00 0.00 66.02 63.74 1stf s SER 102 CO -0.02 -3.36 1.29 -0.76 0.41 0.00 0.00 173.24 170.80 1stf s LEU 102 N -6.68 4.43 0.28 2.44 1.43 -1.26 -4.72 118.68 114.60 1stf s LEU 102 Ca 0.66 2.65 0.01 0.00 -1.03 0.00 0.00 54.13 56.42 1stf s LEU 102 Cb -0.21 -3.66 0.68 0.00 0.03 0.00 0.00 46.19 43.02 1stf s LEU 102 CO 0.60 -0.51 1.65 -0.65 0.23 0.00 0.00 176.35 177.67 1stf h PRO 103 N 3.38 0.22 0.00 1.29 0.11 -1.97 0.57 132.00 135.60 1stf h PRO 103 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1stf h PRO 103 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1stf h PRO 103 CO 0.65 0.15 0.00 -2.39 -0.21 0.00 0.00 178.00 176.20 1stf n HIS 104 N -5.21 0.00 -0.03 0.65 1.44 -1.26 -2.30 115.22 108.51 1stf n HIS 104 Ca 0.20 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.96 1stf n HIS 104 Cb 0.65 -0.13 -0.15 0.00 0.12 0.00 0.00 29.99 30.48 1stf n HIS 104 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1stf n GLU 105 N -1.13 0.71 -3.86 -1.40 1.02 0.19 -4.99 120.64 111.18 1stf n GLU 105 Ca 0.07 -0.13 -0.26 0.00 -0.02 0.00 0.00 57.16 56.82 1stf n GLU 105 Cb 0.06 -1.48 0.01 0.00 -0.02 0.00 0.00 31.44 30.02 1stf n GLU 105 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1stf n ASN 105 N -2.35 -2.17 -4.77 1.62 4.05 -0.97 -4.97 115.26 105.70 1stf n ASN 105 Ca -0.12 -0.86 -0.32 0.00 0.45 0.00 0.00 54.58 53.73 1stf n ASN 105 Cb 0.70 -3.69 -0.07 0.00 1.23 0.00 0.00 39.78 37.94 1stf n ASN 105 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1stf s LYS 106 N -6.36 2.98 0.78 1.20 1.02 -1.26 -5.10 119.74 112.99 1stf s LYS 106 Ca 0.25 -0.56 -0.11 0.00 0.02 0.00 0.00 55.97 55.57 1stf s LYS 106 Cb -0.13 -2.80 0.06 0.00 -0.52 0.00 0.00 37.83 34.45 1stf s LYS 106 CO 0.84 0.62 1.09 -1.25 -0.92 0.00 0.00 175.35 175.73 1stf s PRO 107 N -1.92 2.23 0.34 -1.68 0.04 -1.26 -4.69 135.00 128.06 1stf s PRO 107 Ca 0.25 1.11 -0.29 0.00 0.04 0.00 0.00 61.00 62.11 1stf s PRO 107 Cb -0.12 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.42 1stf s PRO 107 CO 0.16 -1.64 1.38 -0.51 0.04 0.00 0.00 177.00 176.43 1stf s LEU 108 N -5.91 4.39 -0.04 -3.56 1.02 -1.26 -4.81 118.68 108.51 1stf s LEU 108 Ca 0.61 2.81 0.06 0.00 0.02 0.00 0.00 54.13 57.63 1stf s LEU 108 Cb -0.17 -3.65 -0.01 0.00 0.02 0.00 0.00 46.19 42.38 1stf s LEU 108 CO 0.56 -0.67 -0.22 -0.89 0.02 0.00 0.00 176.35 175.16 1stf s THR 109 N -1.01 1.76 -0.92 5.49 2.01 -0.57 -4.94 115.64 117.47 1stf s THR 109 Ca 0.51 -0.92 -0.24 0.00 0.31 0.00 0.00 61.69 61.35 1stf s THR 109 Cb -0.42 -1.48 0.05 0.00 0.01 0.00 0.00 72.50 70.66 1stf s THR 109 CO 0.55 0.50 1.36 -0.22 -0.69 0.00 0.00 174.62 176.12 1stf s LEU 110 N -0.27 3.53 0.14 4.42 2.96 -1.26 -0.03 118.68 128.16 1stf s LEU 110 Ca 0.02 -1.17 -0.12 0.00 -0.22 0.00 0.00 54.13 52.64 1stf s LEU 110 Cb -0.11 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 1stf s LEU 110 CO 0.01 -1.58 1.50 0.28 -1.32 0.00 0.00 176.35 175.24 1stf h SER 111 N 9.80 0.94 -5.08 3.68 0.02 -1.42 -3.48 113.55 118.02 1stf h SER 111 Ca 0.03 -0.43 -0.01 0.00 -0.84 0.00 0.00 61.79 60.54 1stf h SER 111 Cb 1.03 -0.26 -0.10 0.00 0.14 0.00 0.00 62.40 63.21 1stf h SER 111 CO 1.35 1.17 0.06 0.21 -1.14 0.00 0.00 176.83 178.49 1stf s ASN 112 N -6.69 -0.28 0.07 3.07 3.84 -1.15 -5.02 114.94 108.78 1stf s ASN 112 Ca -0.12 -0.47 -0.09 0.00 0.21 0.00 0.00 52.86 52.40 1stf s ASN 112 Cb 0.11 0.60 -0.00 0.00 -0.55 0.00 0.00 41.25 41.41 1stf s ASN 112 CO 0.86 -1.08 0.19 -0.72 -2.79 0.00 0.00 177.10 173.56 1stf s TYR 113 N -3.87 0.12 -0.04 0.43 1.13 -1.26 -0.23 117.35 113.63 1stf s TYR 113 Ca 0.09 -0.49 0.05 0.00 -1.41 0.00 0.00 57.07 55.31 1stf s TYR 113 Cb -0.01 -0.05 -0.01 0.00 -1.10 0.00 0.00 41.96 40.79 1stf s TYR 113 CO -0.02 -0.51 -0.19 -0.65 -2.51 0.00 0.00 175.55 171.66 1stf s GLN 114 N -3.49 1.94 0.31 -3.49 -0.21 -0.00 -5.00 119.66 109.73 1stf s GLN 114 Ca 0.02 -0.68 0.09 0.00 0.02 0.00 0.00 55.36 54.81 1stf s GLN 114 Cb 0.03 -1.69 -0.05 0.00 1.00 0.00 0.00 33.01 32.31 1stf s GLN 114 CO -0.09 0.29 0.00 0.99 -2.12 0.00 0.00 175.29 174.37 1stf s THR 115 N -0.06 2.88 -1.10 -0.19 2.01 -1.26 -0.96 115.64 116.96 1stf s THR 115 Ca -0.03 -1.97 -0.04 0.00 0.31 0.00 0.00 61.69 59.97 1stf s THR 115 Cb -0.12 -2.78 0.00 0.00 0.01 0.00 0.00 72.50 69.62 1stf s THR 115 CO 0.02 -0.26 0.94 0.59 -0.69 0.00 0.00 174.62 175.22 1stf n ASN 115 N -0.93 -3.87 -4.89 3.53 3.02 -1.23 -4.97 115.26 105.92 1stf n ASN 115 Ca -0.05 -0.50 -0.23 0.00 -0.03 0.00 0.00 54.58 53.77 1stf n ASN 115 Cb 0.61 -4.45 -0.04 0.00 -0.61 0.00 0.00 39.78 35.30 1stf n ASN 115 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1stf s LYS 116 N -5.64 3.17 0.27 3.52 2.47 -0.75 -4.99 119.74 117.79 1stf s LYS 116 Ca 0.25 -0.85 0.09 0.00 -1.56 0.00 0.00 55.97 53.89 1stf s LYS 116 Cb -0.11 -2.75 -0.04 0.00 -1.46 0.00 0.00 37.83 33.47 1stf s LYS 116 CO 0.63 0.44 0.09 0.00 0.16 0.00 0.00 175.35 176.67 1stf s ALA 117 N -1.95 3.36 0.29 3.13 0.00 -1.26 -2.45 121.76 122.87 1stf s ALA 117 Ca 0.33 -1.59 0.05 0.00 0.00 0.00 0.00 51.96 50.74 1stf s ALA 117 Cb -0.09 -0.95 0.73 0.00 0.00 0.00 0.00 23.12 22.80 1stf s ALA 117 CO 0.27 0.23 1.74 -0.22 0.00 0.00 0.00 175.76 177.77 1stf h LYS 118 N 1.70 0.56 -0.32 0.00 3.11 -1.97 -2.22 116.57 117.43 1stf h LYS 118 Ca -0.46 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.35 1stf h LYS 118 Cb 1.25 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 32.35 1stf h LYS 118 CO 0.61 0.37 0.00 0.72 -2.81 0.00 0.00 179.45 178.34 1stf n HIS 119 N -4.90 0.41 -2.47 1.91 8.25 -1.26 -4.91 115.22 112.25 1stf n HIS 119 Ca 0.22 -0.20 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 1stf n HIS 119 Cb 0.61 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.68 1stf n HIS 119 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1stf s ASP 120 N -1.59 7.22 0.29 0.41 1.01 -0.84 -5.00 116.67 118.17 1stf s ASP 120 Ca 0.37 2.18 -0.29 0.00 0.71 0.00 0.00 52.55 55.52 1stf s ASP 120 Cb 0.22 -2.61 -0.10 0.00 1.01 0.00 0.00 42.92 41.45 1stf s ASP 120 CO 0.31 -0.24 1.12 -1.61 0.21 0.00 0.00 175.17 174.97 1stf s GLU 121 N -0.67 4.59 -0.56 8.23 8.01 -1.26 -4.85 118.70 132.19 1stf s GLU 121 Ca 0.49 1.85 -0.27 0.00 0.01 0.00 0.00 54.97 57.04 1stf s GLU 121 Cb -0.31 -3.15 -0.00 0.00 -4.31 0.00 0.00 34.13 26.35 1stf s GLU 121 CO 0.37 0.15 1.62 -0.51 0.01 0.00 0.00 175.26 176.90 1stf s LEU 122 N -1.53 3.36 0.48 1.80 1.43 -1.26 -4.98 118.68 117.98 1stf s LEU 122 Ca 0.45 0.40 0.05 0.00 -1.03 0.00 0.00 54.13 54.01 1stf s LEU 122 Cb -0.33 -2.90 -0.01 0.00 0.03 0.00 0.00 46.19 42.98 1stf s LEU 122 CO 0.42 -1.95 0.22 0.42 0.23 0.00 0.00 176.35 175.69 1stf s THR 123 N 7.22 1.85 0.27 5.49 -4.23 -1.26 -5.03 115.64 119.96 1stf s THR 123 Ca 0.60 -1.68 -0.29 0.00 -1.18 0.00 0.00 61.69 59.14 1stf s THR 123 Cb -0.13 -2.54 -0.09 0.00 1.34 0.00 0.00 72.50 71.08 1stf s THR 123 CO 0.24 0.00 1.10 -0.47 -0.54 0.00 0.00 174.62 174.95 1stf s TYR 124 N -2.71 3.58 0.00 3.99 6.14 -1.26 -5.07 117.35 122.02 1stf s TYR 124 Ca 0.31 1.69 0.00 0.00 0.64 0.00 0.00 57.07 59.71 1stf s TYR 124 Cb 0.01 -3.29 0.00 0.00 0.42 0.00 0.00 41.96 39.11 1stf s TYR 124 CO 0.18 -0.57 0.00 1.97 0.64 0.00 0.00 175.55 177.78