#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bjd s LEU 13 N 0.00 4.47 0.22 -0.89 1.43 -1.26 -1.51 118.68 121.14 2bjd s LEU 13 Ca 0.00 1.83 -0.07 0.00 -1.03 0.00 0.00 54.13 54.86 2bjd s LEU 13 Cb 0.00 -3.78 -0.02 0.00 0.03 0.00 0.00 46.19 42.42 2bjd s LEU 13 CO 0.00 0.04 0.30 -0.54 0.23 0.00 0.00 176.35 176.38 2bjd s LYS 14 N -1.67 1.37 0.07 1.70 -0.14 -0.22 -4.32 119.74 116.53 2bjd s LYS 14 Ca 0.45 -1.45 0.09 0.00 -1.36 0.00 0.00 55.97 53.71 2bjd s LYS 14 Cb -0.21 0.37 -0.03 0.00 -1.68 0.00 0.00 37.83 36.27 2bjd s LYS 14 CO 0.27 -0.51 -0.26 0.50 -0.76 0.00 0.00 175.35 174.59 2bjd s ARG 15 N -4.09 1.61 -0.02 1.68 3.52 -0.60 -1.86 118.95 119.19 2bjd s ARG 15 Ca 0.31 -1.16 0.04 0.00 -0.13 0.00 0.00 55.73 54.79 2bjd s ARG 15 Cb 0.03 -1.87 -0.01 0.00 -1.56 0.00 0.00 34.95 31.55 2bjd s ARG 15 CO 0.11 0.47 -0.13 1.41 -0.81 0.00 0.00 175.30 176.35 2bjd s MET 16 N -1.48 1.11 -0.15 5.12 -2.45 0.13 -0.78 119.30 120.79 2bjd s MET 16 Ca 0.12 -0.45 0.00 0.00 -1.25 0.00 0.00 55.69 54.10 2bjd s MET 16 Cb -0.10 -1.05 -0.00 0.00 1.25 0.00 0.00 34.83 34.92 2bjd s MET 16 CO 0.03 0.25 -0.15 -0.47 1.05 0.00 0.00 175.02 175.73 2bjd s TYR 17 N -0.19 2.77 0.01 4.11 5.04 -0.15 -1.03 117.35 127.91 2bjd s TYR 17 Ca 0.03 -0.97 0.02 0.00 -2.44 0.00 0.00 57.07 53.70 2bjd s TYR 17 Cb -0.06 -1.87 -0.01 0.00 0.35 0.00 0.00 41.96 40.37 2bjd s TYR 17 CO -0.00 -0.43 -0.05 0.00 -1.34 0.00 0.00 175.55 173.73 2bjd s ALA 18 N 0.72 0.42 -0.09 3.97 0.00 0.31 -0.79 121.76 126.29 2bjd s ALA 18 Ca -0.07 -0.35 0.04 0.00 0.00 0.00 0.00 51.96 51.58 2bjd s ALA 18 Cb -0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 2bjd s ALA 18 CO 0.01 0.06 -0.20 1.03 0.00 0.00 0.00 175.76 176.66 2bjd s ARG 19 N -0.51 2.90 -0.12 0.00 1.81 0.49 -0.64 118.95 122.90 2bjd s ARG 19 Ca -0.02 -0.82 0.02 0.00 -1.72 0.00 0.00 55.73 53.20 2bjd s ARG 19 Cb -0.04 -2.35 -0.01 0.00 -0.45 0.00 0.00 34.95 32.10 2bjd s ARG 19 CO -0.00 0.31 -0.19 0.08 -0.68 0.00 0.00 175.30 174.82 2bjd s VAL 20 N 0.04 2.49 0.08 3.52 1.01 0.05 -1.03 120.40 126.56 2bjd s VAL 20 Ca -0.08 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.12 2bjd s VAL 20 Cb -0.15 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 2bjd s VAL 20 CO 0.05 0.54 -0.20 -0.31 0.00 0.00 0.00 175.10 175.19 2bjd s TYR 21 N 0.38 1.72 -2.37 5.22 1.51 0.05 -1.47 117.35 122.39 2bjd s TYR 21 Ca -0.15 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.51 2bjd s TYR 21 Cb -0.17 -0.97 0.00 0.00 -0.11 0.00 0.00 41.96 40.71 2bjd s TYR 21 CO 0.07 0.16 0.00 0.41 -1.11 0.00 0.00 175.55 175.08 2bjd n GLY 22 N 1.33 0.57 3.46 0.71 0.00 -1.26 -0.37 105.19 109.63 2bjd n GLY 22 Ca -0.19 -1.50 -0.44 0.00 0.00 0.00 0.00 46.02 43.90 2bjd n GLY 22 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bjd s LEU 23 N 0.00 4.96 0.00 0.99 2.96 0.88 -4.71 118.68 123.76 2bjd s LEU 23 Ca 0.00 -2.28 0.00 0.00 -0.22 0.00 0.00 54.13 51.63 2bjd s LEU 23 Cb 0.00 -2.41 0.00 0.00 0.50 0.00 0.00 46.19 44.28 2bjd s LEU 23 CO 0.00 -1.00 0.27 1.33 -1.32 0.00 0.00 176.35 175.63 2bjd n VAL 24 N 5.34 0.05 -4.27 1.68 0.24 -1.26 -1.04 118.33 119.07 2bjd n VAL 24 Ca 0.28 -0.24 -0.29 0.00 -2.04 0.00 0.00 64.34 62.06 2bjd n VAL 24 Cb 0.47 1.48 -0.10 0.00 -1.47 0.00 0.00 33.84 34.22 2bjd n VAL 24 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2bjd s GLN 25 N -0.05 1.96 -1.14 7.34 -0.21 -1.26 -4.49 119.66 121.81 2bjd s GLN 25 Ca 0.00 -1.15 0.00 0.00 0.02 0.00 0.00 55.36 54.23 2bjd s GLN 25 Cb 0.00 -2.19 0.00 0.00 1.00 0.00 0.00 33.01 31.82 2bjd s GLN 25 CO 0.00 0.48 0.00 0.41 -2.12 0.00 0.00 175.29 174.06 2bjd n GLY 26 N 0.59 1.16 0.19 3.09 0.00 -1.26 -4.88 105.19 104.08 2bjd n GLY 26 Ca -0.14 -0.53 0.03 0.00 0.00 0.00 0.00 46.02 45.38 2bjd n GLY 26 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2bjd n VAL 27 N -2.74 0.67 -1.01 1.61 0.24 -1.26 -4.99 118.33 110.85 2bjd n VAL 27 Ca -0.11 -0.77 -0.00 0.00 -2.04 0.00 0.00 64.34 61.42 2bjd n VAL 27 Cb 0.36 0.42 -0.00 0.00 -1.47 0.00 0.00 33.84 33.15 2bjd n VAL 27 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bjd n GLY 28 N -0.46 0.44 0.09 7.63 0.00 -1.26 -4.48 105.19 107.15 2bjd n GLY 28 Ca 0.04 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 2bjd n GLY 28 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2bjd h PHE 29 N 0.00 0.20 -0.46 1.61 3.04 -1.95 -1.67 116.94 117.72 2bjd h PHE 29 Ca -0.01 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 2bjd h PHE 29 Cb 0.02 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.46 2bjd h PHE 29 CO 0.01 0.38 0.24 0.00 -2.02 0.00 0.00 178.31 176.92 2bjd h ARG 30 N -0.04 0.64 -0.96 1.11 3.08 -1.93 -0.78 114.38 115.51 2bjd h ARG 30 Ca 0.03 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 2bjd h ARG 30 Cb 0.29 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 2bjd h ARG 30 CO 0.00 0.52 0.59 -0.22 -1.07 0.00 0.00 179.97 179.79 2bjd h LYS 31 N 0.60 1.29 -0.37 0.04 1.63 -1.95 -0.04 116.57 117.76 2bjd h LYS 31 Ca 0.16 -0.11 0.04 0.00 -0.85 0.00 0.00 60.65 59.89 2bjd h LYS 31 Cb 0.08 -0.27 -0.04 0.00 -0.60 0.00 0.00 32.23 31.40 2bjd h LYS 31 CO -0.02 0.89 0.16 0.35 -3.45 0.00 0.00 179.45 177.38 2bjd h PHE 32 N 1.32 0.28 -0.52 1.91 3.57 -0.86 -0.22 116.94 122.41 2bjd h PHE 32 Ca 0.34 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.81 2bjd h PHE 32 Cb -0.07 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 2bjd h PHE 32 CO 0.00 0.13 0.13 0.28 -2.23 0.00 0.00 178.31 176.63 2bjd h VAL 33 N 0.33 1.24 -0.30 1.41 2.07 -0.58 -2.50 116.25 117.92 2bjd h VAL 33 Ca 0.17 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 2bjd h VAL 33 Cb 0.12 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2bjd h VAL 33 CO -0.15 0.31 0.16 -0.61 0.02 0.00 0.00 177.57 177.30 2bjd h GLN 34 N 0.73 0.42 -0.49 1.57 4.15 -0.70 0.17 115.11 120.96 2bjd h GLN 34 Ca 0.17 -0.05 0.04 0.00 0.77 0.00 0.00 58.65 59.57 2bjd h GLN 34 Cb 0.33 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.90 2bjd h GLN 34 CO 0.00 0.37 0.26 0.82 -1.93 0.00 0.00 178.83 178.36 2bjd h ILE 35 N 0.36 0.99 -0.02 2.39 1.08 -0.97 -0.43 117.51 120.92 2bjd h ILE 35 Ca 0.10 -0.18 -0.16 0.00 -0.39 0.00 0.00 64.86 64.23 2bjd h ILE 35 Cb 0.08 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.24 2bjd h ILE 35 CO -0.02 0.09 -0.74 0.45 -0.69 0.00 0.00 178.15 177.25 2bjd h HIS 36 N 0.52 0.17 -0.28 1.37 3.86 -1.15 -2.22 115.15 117.43 2bjd h HIS 36 Ca 0.21 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 2bjd h HIS 36 Cb 0.09 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 2bjd h HIS 36 CO -0.09 0.82 0.04 0.00 0.86 0.00 0.00 177.93 179.56 2bjd h ALA 37 N 1.16 0.37 -0.78 2.45 0.00 -0.35 -2.32 119.26 119.80 2bjd h ALA 37 Ca -0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2bjd h ALA 37 Cb 1.30 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2bjd h ALA 37 CO 0.11 0.06 0.37 0.82 0.00 0.00 0.00 179.25 180.61 2bjd h ILE 38 N 0.28 1.25 0.00 0.00 2.04 -1.00 0.94 117.51 121.02 2bjd h ILE 38 Ca 0.08 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 2bjd h ILE 38 Cb 0.34 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2bjd h ILE 38 CO 0.01 0.29 -0.11 0.03 0.00 0.00 0.00 178.15 178.37 2bjd h ARG 39 N 1.10 0.00 -0.26 2.37 3.08 -1.26 -2.04 114.38 117.36 2bjd h ARG 39 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2bjd h ARG 39 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2bjd h ARG 39 CO -0.03 0.11 0.00 1.28 -1.07 0.00 0.00 179.97 180.26 2bjd n LEU 40 N -3.71 2.83 -0.25 3.04 4.77 -0.52 -4.96 117.00 118.20 2bjd n LEU 40 Ca -0.02 -1.16 -0.03 0.00 -0.03 0.00 0.00 56.01 54.77 2bjd n LEU 40 Cb 0.23 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2bjd n LEU 40 CO 0.30 0.58 -0.03 0.61 -1.33 0.00 0.00 177.39 177.52 2bjd n GLY 41 N 1.37 0.63 3.84 -0.72 0.00 -0.52 -4.89 105.19 104.90 2bjd n GLY 41 Ca 0.18 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 2bjd n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bjd s ILE 42 N -2.10 4.97 0.25 -0.61 1.01 0.21 -4.85 121.20 120.09 2bjd s ILE 42 Ca 0.00 0.82 0.11 0.00 0.00 0.00 0.00 60.65 61.58 2bjd s ILE 42 Cb 0.00 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 2bjd s ILE 42 CO 0.00 0.47 -0.17 -0.54 0.00 0.00 0.00 174.94 174.70 2bjd s LYS 43 N -1.39 1.79 0.00 2.79 1.02 -0.59 -4.23 119.74 119.13 2bjd s LYS 43 Ca 0.29 -1.63 0.00 0.00 0.02 0.00 0.00 55.97 54.65 2bjd s LYS 43 Cb -0.16 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 2bjd s LYS 43 CO 0.16 0.36 0.00 0.41 -0.92 0.00 0.00 175.35 175.36 2bjd n GLY 44 N -0.46 0.54 3.42 -3.33 0.00 -0.16 -0.09 105.19 105.11 2bjd n GLY 44 Ca -0.07 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.34 2bjd n GLY 44 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2bjd s TYR 45 N -3.61 -0.49 -0.10 1.61 -0.85 0.31 -1.35 117.35 112.87 2bjd s TYR 45 Ca 0.00 0.43 0.02 0.00 -0.52 0.00 0.00 57.07 57.00 2bjd s TYR 45 Cb 0.00 0.46 0.01 0.00 0.38 0.00 0.00 41.96 42.81 2bjd s TYR 45 CO 0.00 -0.75 -0.16 0.00 -1.52 0.00 0.00 175.55 173.11 2bjd s ALA 46 N -3.09 1.73 -0.03 9.51 0.00 -0.43 -1.60 121.76 127.84 2bjd s ALA 46 Ca -0.02 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.21 2bjd s ALA 46 Cb -0.00 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.33 2bjd s ALA 46 CO -0.07 0.01 -0.05 0.21 0.00 0.00 0.00 175.76 175.86 2bjd s LYS 47 N 0.83 0.77 0.08 0.00 2.20 0.66 -1.73 119.74 122.55 2bjd s LYS 47 Ca -0.10 -0.14 -0.30 0.00 -0.36 0.00 0.00 55.97 55.07 2bjd s LYS 47 Cb -0.16 -0.77 -0.06 0.00 -1.51 0.00 0.00 37.83 35.34 2bjd s LYS 47 CO 0.01 -0.03 1.17 -0.80 -0.36 0.00 0.00 175.35 175.34 2bjd s ASN 48 N 0.66 7.13 0.25 1.43 0.02 -0.60 -0.84 114.94 122.98 2bjd s ASN 48 Ca -0.09 2.02 0.07 0.00 -1.02 0.00 0.00 52.86 53.84 2bjd s ASN 48 Cb -0.12 -2.58 -0.04 0.00 0.02 0.00 0.00 41.25 38.53 2bjd s ASN 48 CO 0.00 -0.41 0.15 -0.76 0.02 0.00 0.00 177.10 176.10 2bjd s LEU 49 N 0.76 3.68 0.41 0.60 1.43 -0.36 -4.95 118.68 120.25 2bjd s LEU 49 Ca 0.56 -0.32 0.29 0.00 -1.03 0.00 0.00 54.13 53.63 2bjd s LEU 49 Cb -0.29 -2.22 1.38 0.00 0.03 0.00 0.00 46.19 45.09 2bjd s LEU 49 CO 0.30 -0.02 1.87 -0.65 0.23 0.00 0.00 176.35 178.08 2bjd h PRO 50 N 1.65 0.00 -0.06 1.29 0.11 -1.96 -2.07 132.00 130.95 2bjd h PRO 50 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2bjd h PRO 50 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2bjd h PRO 50 CO 0.61 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 2bjd n ASP 51 N -2.55 0.70 0.00 -2.05 5.75 -1.26 -4.89 116.55 112.26 2bjd n ASP 51 Ca -0.00 -1.49 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 2bjd n ASP 51 Cb 0.15 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 2bjd n ASP 51 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bjd n GLY 52 N 0.96 0.73 4.00 6.12 0.00 -0.78 -5.05 105.19 111.17 2bjd n GLY 52 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 2bjd n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bjd s SER 53 N -2.40 5.79 -0.10 1.61 1.04 -1.25 -4.41 113.70 113.97 2bjd s SER 53 Ca 0.00 -0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.14 2bjd s SER 53 Cb 0.00 -0.92 -0.02 0.00 0.10 0.00 0.00 66.02 65.18 2bjd s SER 53 CO 0.00 -0.63 -0.14 -0.69 0.98 0.00 0.00 173.24 172.76 2bjd s VAL 54 N -2.29 3.03 -0.18 5.02 1.01 -0.54 -1.22 120.40 125.23 2bjd s VAL 54 Ca 0.51 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.74 2bjd s VAL 54 Cb -0.10 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 2bjd s VAL 54 CO 0.32 0.55 0.02 -0.70 0.00 0.00 0.00 175.10 175.29 2bjd s GLU 55 N -0.04 3.80 -0.11 2.72 2.12 -0.02 -0.77 118.70 126.39 2bjd s GLU 55 Ca -0.03 -0.44 0.03 0.00 0.36 0.00 0.00 54.97 54.90 2bjd s GLU 55 Cb -0.14 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.15 2bjd s GLU 55 CO 0.04 0.19 -0.22 0.08 -0.54 0.00 0.00 175.26 174.81 2bjd s VAL 56 N 0.54 1.98 -0.12 3.70 1.01 0.19 -0.24 120.40 127.46 2bjd s VAL 56 Ca 0.00 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.05 2bjd s VAL 56 Cb -0.13 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.51 2bjd s VAL 56 CO 0.02 0.54 -0.20 -0.69 0.00 0.00 0.00 175.10 174.76 2bjd s VAL 57 N 0.54 2.33 -0.00 2.92 1.01 -0.63 -0.53 120.40 126.04 2bjd s VAL 57 Ca -0.14 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 60.93 2bjd s VAL 57 Cb -0.17 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.29 2bjd s VAL 57 CO 0.05 0.54 0.00 0.00 0.00 0.00 0.00 175.10 175.69 2bjd s ALA 58 N 0.50 0.03 -0.04 5.51 0.00 -0.20 -0.53 121.76 127.04 2bjd s ALA 58 Ca -0.13 0.04 0.05 0.00 0.00 0.00 0.00 51.96 51.92 2bjd s ALA 58 Cb -0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 2bjd s ALA 58 CO 0.05 -0.02 -0.17 -1.21 0.00 0.00 0.00 175.76 174.41 2bjd s GLU 59 N 0.18 1.70 0.00 0.00 2.02 0.87 0.19 118.70 123.66 2bjd s GLU 59 Ca -0.01 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.36 2bjd s GLU 59 Cb -0.02 -1.51 0.00 0.00 0.10 0.00 0.00 34.13 32.69 2bjd s GLU 59 CO -0.00 0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.96 2bjd n GLY 60 N 3.03 -1.25 3.79 -1.39 0.00 -0.78 -1.54 105.19 107.05 2bjd n GLY 60 Ca -0.17 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.51 2bjd n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bjd s TYR 61 N -3.00 2.87 0.20 1.61 1.51 -1.26 -1.05 117.35 118.22 2bjd s TYR 61 Ca 0.00 1.55 -0.12 0.00 -1.01 0.00 0.00 57.07 57.49 2bjd s TYR 61 Cb 0.00 -3.13 0.24 0.00 -0.11 0.00 0.00 41.96 38.96 2bjd s TYR 61 CO 0.00 -1.17 1.68 0.93 -1.11 0.00 0.00 175.55 175.88 2bjd h GLU 62 N 1.14 0.13 -0.70 -0.62 5.08 -1.62 0.20 114.58 118.19 2bjd h GLU 62 Ca -0.49 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 2bjd h GLU 62 Cb 1.23 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 2bjd h GLU 62 CO 0.58 0.09 0.39 1.49 -1.00 0.00 0.00 179.01 180.55 2bjd h GLU 63 N 0.14 0.98 -0.59 2.33 4.81 -1.92 -0.74 114.58 119.59 2bjd h GLU 63 Ca 0.29 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 2bjd h GLU 63 Cb 0.44 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 2bjd h GLU 63 CO -0.45 0.73 0.30 0.00 -0.73 0.00 0.00 179.01 178.85 2bjd h ALA 64 N 1.19 0.76 -0.78 2.92 0.00 -1.63 -1.09 119.26 120.64 2bjd h ALA 64 Ca 0.25 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2bjd h ALA 64 Cb 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2bjd h ALA 64 CO -0.04 0.31 0.29 -0.07 0.00 0.00 0.00 179.25 179.74 2bjd h LEU 65 N 0.80 1.09 -0.95 0.00 3.38 -0.60 -0.01 115.31 119.02 2bjd h LEU 65 Ca 0.20 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2bjd h LEU 65 Cb 0.10 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 2bjd h LEU 65 CO -0.03 0.98 0.59 0.28 0.09 0.00 0.00 178.44 180.35 2bjd h SER 66 N 1.14 1.13 -0.51 -0.43 0.02 -0.68 0.37 113.55 114.58 2bjd h SER 66 Ca 0.26 -0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 61.06 2bjd h SER 66 Cb 0.24 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 2bjd h SER 66 CO -0.02 0.85 -0.04 0.11 -1.14 0.00 0.00 176.83 176.59 2bjd h LYS 67 N 1.30 0.93 -0.69 3.45 1.57 -0.68 -2.15 116.57 120.31 2bjd h LYS 67 Ca 0.34 -0.32 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2bjd h LYS 67 Cb -0.08 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 2bjd h LYS 67 CO -0.07 0.97 0.15 1.25 -0.57 0.00 0.00 179.45 181.19 2bjd h LEU 68 N 0.79 1.04 -0.81 2.94 5.85 -0.68 -2.69 115.31 121.75 2bjd h LEU 68 Ca 0.14 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.64 2bjd h LEU 68 Cb 0.58 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 2bjd h LEU 68 CO 0.04 1.01 0.53 0.25 -0.34 0.00 0.00 178.44 179.92 2bjd h LEU 69 N 1.04 0.93 -0.38 2.25 5.85 -0.71 0.12 115.31 124.42 2bjd h LEU 69 Ca 0.22 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.97 2bjd h LEU 69 Cb 0.38 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 2bjd h LEU 69 CO 0.00 0.68 0.06 -0.08 -0.34 0.00 0.00 178.44 178.77 2bjd h GLU 70 N 1.10 0.17 -0.60 1.25 4.81 -1.17 -0.75 114.58 119.39 2bjd h GLU 70 Ca 0.30 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.43 2bjd h GLU 70 Cb -0.12 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 2bjd h GLU 70 CO -0.06 0.11 0.02 0.00 -0.73 0.00 0.00 179.01 178.36 2bjd h ARG 71 N 0.18 1.05 -0.31 1.92 2.47 -1.03 -2.50 114.38 116.15 2bjd h ARG 71 Ca 0.18 -0.32 -0.04 0.00 -1.26 0.00 0.00 59.98 58.54 2bjd h ARG 71 Cb 0.22 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.42 2bjd h ARG 71 CO -0.25 1.01 0.04 0.82 0.56 0.00 0.00 179.97 182.15 2bjd h ILE 72 N 0.94 1.17 0.00 2.04 2.04 -0.51 0.31 117.51 123.50 2bjd h ILE 72 Ca 0.17 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.40 2bjd h ILE 72 Cb 0.53 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2bjd h ILE 72 CO 0.03 0.22 0.00 0.11 0.00 0.00 0.00 178.15 178.51 2bjd h LYS 73 N 0.45 0.00 0.00 2.37 1.57 -0.68 -3.31 116.57 116.98 2bjd h LYS 73 Ca 0.10 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.54 2bjd h LYS 73 Cb 0.24 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 2bjd h LYS 73 CO 0.00 0.00 -2.18 0.94 -0.57 0.00 0.00 179.45 177.64 2bjd n GLN 74 N -2.67 0.47 -0.32 3.15 -0.06 -0.87 -4.70 117.38 112.37 2bjd n GLN 74 Ca 0.00 0.18 0.04 0.00 -2.00 0.00 0.00 57.00 55.22 2bjd n GLN 74 Cb 0.19 -1.30 -0.01 0.00 -4.06 0.00 0.00 30.24 25.06 2bjd n GLN 74 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2bjd n GLY 75 N 1.90 -1.67 3.74 1.69 0.00 0.04 -4.48 105.19 106.41 2bjd n GLY 75 Ca -0.40 -1.44 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 2bjd n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bjd s PRO 76 N -1.66 1.50 0.30 1.61 0.04 -1.26 -4.88 135.00 130.65 2bjd s PRO 76 Ca 0.00 0.83 0.06 0.00 0.04 0.00 0.00 61.00 61.93 2bjd s PRO 76 Cb 0.00 -1.84 0.78 0.00 0.04 0.00 0.00 34.50 33.49 2bjd s PRO 76 CO 0.00 -2.07 1.72 -1.35 0.04 0.00 0.00 177.00 175.34 2bjd h PRO 77 N -1.43 0.51 0.00 0.56 0.11 -1.90 -0.56 132.00 129.30 2bjd h PRO 77 Ca -0.48 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 2bjd h PRO 77 Cb 1.28 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2bjd h PRO 77 CO 0.55 0.34 -0.18 0.00 -0.21 0.00 0.00 178.00 178.50 2bjd h ALA 78 N 1.70 1.17 -2.28 -0.75 0.00 -1.91 -3.44 119.26 113.75 2bjd h ALA 78 Ca 0.59 -0.16 -0.48 0.00 0.00 0.00 0.00 54.91 54.86 2bjd h ALA 78 Cb 1.09 -0.03 0.04 0.00 0.00 0.00 0.00 17.79 18.89 2bjd h ALA 78 CO -0.48 0.22 0.38 0.00 0.00 0.00 0.00 179.25 179.37 2bjd s ALA 79 N -3.97 2.88 -0.28 0.00 0.00 -0.22 -4.98 121.76 115.19 2bjd s ALA 79 Ca -0.01 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.32 2bjd s ALA 79 Cb 0.12 -3.19 0.08 0.00 0.00 0.00 0.00 23.12 20.13 2bjd s ALA 79 CO 0.61 -0.49 -0.01 -2.00 0.00 0.00 0.00 175.76 173.88 2bjd s GLU 80 N -3.89 1.53 -0.32 0.00 2.12 -0.20 -4.87 118.70 113.07 2bjd s GLU 80 Ca 0.63 -1.34 -0.19 0.00 0.36 0.00 0.00 54.97 54.42 2bjd s GLU 80 Cb -0.14 -2.73 -0.01 0.00 0.26 0.00 0.00 34.13 31.51 2bjd s GLU 80 CO 0.31 -0.76 0.59 0.08 -0.54 0.00 0.00 175.26 174.94 2bjd s VAL 81 N 1.23 4.96 -0.13 3.70 1.01 -1.26 -0.08 120.40 129.83 2bjd s VAL 81 Ca 0.01 0.70 0.01 0.00 0.00 0.00 0.00 61.98 62.70 2bjd s VAL 81 Cb -0.19 -3.98 -0.24 0.00 0.00 0.00 0.00 36.38 31.97 2bjd s VAL 81 CO -0.10 -0.16 0.33 -0.62 0.00 0.00 0.00 175.10 174.55 2bjd n GLU 82 N 5.84 0.71 -3.71 2.72 1.02 0.50 -4.97 120.64 122.74 2bjd n GLU 82 Ca -0.02 0.24 -0.12 0.00 -0.02 0.00 0.00 57.16 57.23 2bjd n GLU 82 Cb 0.49 -1.69 -0.10 0.00 -0.02 0.00 0.00 31.44 30.12 2bjd n GLU 82 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2bjd s LYS 83 N -2.56 0.48 -0.16 3.49 2.20 -1.02 -5.01 119.74 117.16 2bjd s LYS 83 Ca -0.19 0.70 0.02 0.00 -0.36 0.00 0.00 55.97 56.14 2bjd s LYS 83 Cb 0.07 0.15 0.01 0.00 -1.51 0.00 0.00 37.83 36.55 2bjd s LYS 83 CO 0.76 -0.10 -0.21 0.08 -0.36 0.00 0.00 175.35 175.52 2bjd s VAL 84 N 0.71 2.06 -0.18 4.02 1.01 -1.26 -0.77 120.40 125.98 2bjd s VAL 84 Ca -0.04 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 2bjd s VAL 84 Cb -0.05 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 2bjd s VAL 84 CO -0.05 0.54 -0.08 -0.62 0.00 0.00 0.00 175.10 174.89 2bjd s ASP 85 N 1.03 4.16 0.12 3.32 2.15 -0.20 -4.96 116.67 122.29 2bjd s ASP 85 Ca -0.02 -0.37 -0.05 0.00 0.43 0.00 0.00 52.55 52.54 2bjd s ASP 85 Cb -0.14 -1.68 -0.02 0.00 -0.30 0.00 0.00 42.92 40.77 2bjd s ASP 85 CO -0.07 0.05 0.14 -0.72 -0.17 0.00 0.00 175.17 174.40 2bjd s TYR 86 N 1.04 0.52 0.01 -5.34 -0.85 -1.26 -0.38 117.35 111.09 2bjd s TYR 86 Ca -0.00 -0.93 -0.12 0.00 -0.52 0.00 0.00 57.07 55.50 2bjd s TYR 86 Cb -0.15 -0.25 0.01 0.00 0.38 0.00 0.00 41.96 41.96 2bjd s TYR 86 CO -0.01 -0.57 0.25 -1.54 -1.52 0.00 0.00 175.55 172.16 2bjd s SER 87 N -2.97 -0.09 0.04 -0.18 1.04 0.03 -5.00 113.70 106.58 2bjd s SER 87 Ca 0.15 -0.12 -0.00 0.00 0.48 0.00 0.00 55.95 56.46 2bjd s SER 87 Cb 0.06 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 2bjd s SER 87 CO -0.03 -0.48 0.19 -0.36 0.98 0.00 0.00 173.24 173.53 2bjd s PHE 88 N -1.80 3.49 0.21 5.02 0.08 -1.26 -0.97 117.98 122.73 2bjd s PHE 88 Ca -0.11 0.26 0.04 0.00 0.12 0.00 0.00 56.93 57.24 2bjd s PHE 88 Cb -0.04 -1.76 -0.01 0.00 -0.57 0.00 0.00 43.02 40.63 2bjd s PHE 88 CO 0.01 0.60 0.20 -1.13 -0.10 0.00 0.00 175.22 174.79 2bjd n SER 89 N 0.52 -0.51 -4.73 1.36 3.41 0.04 -4.98 113.62 108.72 2bjd n SER 89 Ca -0.07 -2.31 -0.41 0.00 -0.26 0.00 0.00 58.87 55.81 2bjd n SER 89 Cb 0.52 1.13 -0.04 0.00 -0.26 0.00 0.00 64.21 65.56 2bjd n SER 89 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2bjd s GLU 90 N -2.77 4.57 0.24 4.33 2.02 -1.26 -1.56 118.70 124.27 2bjd s GLU 90 Ca 0.23 1.65 -0.31 0.00 0.02 0.00 0.00 54.97 56.56 2bjd s GLU 90 Cb 0.01 -3.33 -0.14 0.00 0.10 0.00 0.00 34.13 30.77 2bjd s GLU 90 CO 0.17 0.00 1.27 0.98 0.02 0.00 0.00 175.26 177.69 2bjd n TYR 91 N 3.00 1.80 -0.03 1.61 9.36 -1.26 -4.41 117.16 127.24 2bjd n TYR 91 Ca 0.05 0.55 0.00 0.00 3.32 0.00 0.00 57.90 61.82 2bjd n TYR 91 Cb 0.47 -2.37 0.00 0.00 -0.63 0.00 0.00 39.34 36.81 2bjd n TYR 91 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2bjd n LYS 92 N 1.60 2.09 -3.16 2.98 5.02 -1.26 -4.98 118.16 120.45 2bjd n LYS 92 Ca 0.11 -0.29 -0.23 0.00 -2.02 0.00 0.00 58.31 55.89 2bjd n LYS 92 Cb 0.30 -0.78 0.04 0.00 -0.02 0.00 0.00 35.03 34.57 2bjd n LYS 92 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bjd n GLY 93 N 0.38 -0.52 0.12 0.72 0.00 -1.26 -4.93 105.19 99.70 2bjd n GLY 93 Ca 0.00 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 2bjd n GLY 93 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bjd h GLU 94 N -1.56 0.37 -5.87 1.61 4.81 -2.00 -3.47 114.58 108.47 2bjd h GLU 94 Ca -0.53 -0.61 -0.64 0.00 -0.13 0.00 0.00 59.36 57.46 2bjd h GLU 94 Cb 1.36 0.22 -0.05 0.00 0.63 0.00 0.00 28.75 30.91 2bjd h GLU 94 CO 0.57 1.28 -0.51 -0.06 -0.73 0.00 0.00 179.01 179.57 2bjd s PHE 95 N -2.53 3.50 -0.64 0.92 0.40 -1.26 -4.99 117.98 113.38 2bjd s PHE 95 Ca -0.12 0.30 0.13 0.00 -0.60 0.00 0.00 56.93 56.64 2bjd s PHE 95 Cb 0.02 -1.79 -0.14 0.00 0.51 0.00 0.00 43.02 41.62 2bjd s PHE 95 CO 0.86 0.62 0.57 -0.85 0.70 0.00 0.00 175.22 177.11 2bjd n GLU 96 N 0.78 2.63 -3.23 0.44 0.28 -1.26 -4.84 120.64 115.44 2bjd n GLU 96 Ca -0.09 -0.03 -0.08 0.00 -0.16 0.00 0.00 57.16 56.80 2bjd n GLU 96 Cb 0.52 -1.12 0.01 0.00 1.43 0.00 0.00 31.44 32.28 2bjd n GLU 96 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2bjd n ASP 97 N -1.27 -1.67 -4.20 -1.84 5.68 -1.26 -5.03 116.55 106.97 2bjd n ASP 97 Ca 0.03 -2.30 -0.34 0.00 -0.50 0.00 0.00 54.79 51.68 2bjd n ASP 97 Cb 0.21 2.82 -0.15 0.00 -1.14 0.00 0.00 41.12 42.86 2bjd n ASP 97 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2bjd s PHE 98 N -3.59 2.87 0.30 2.11 2.19 -1.26 -0.99 117.98 119.61 2bjd s PHE 98 Ca 0.14 -1.38 0.11 0.00 0.33 0.00 0.00 56.93 56.13 2bjd s PHE 98 Cb -0.03 -2.00 -0.05 0.00 -1.31 0.00 0.00 43.02 39.62 2bjd s PHE 98 CO 0.11 -0.71 -0.12 -1.21 1.83 0.00 0.00 175.22 175.12 2bjd s GLU 99 N 1.36 1.85 0.01 10.12 0.41 -0.45 -4.94 118.70 127.06 2bjd s GLU 99 Ca 0.05 -1.75 0.07 0.00 -0.41 0.00 0.00 54.97 52.93 2bjd s GLU 99 Cb -0.14 -1.83 -0.02 0.00 -1.78 0.00 0.00 34.13 30.36 2bjd s GLU 99 CO -0.09 0.27 -0.22 0.95 -0.49 0.00 0.00 175.26 175.68 2bjd s THR 100 N -2.51 1.78 0.00 3.63 -4.23 -1.26 -1.31 115.64 111.74 2bjd s THR 100 Ca 0.31 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 2bjd s THR 100 Cb -0.03 -1.50 0.00 0.00 1.34 0.00 0.00 72.50 72.31 2bjd s THR 100 CO 0.17 0.38 0.00 0.00 -0.54 0.00 0.00 174.62 174.63