#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 4.29 0.22 3.17 1.43 -1.26 -1.77 118.68 124.75 2bjd s LEU 13 Ca 0.00 2.17 -0.09 0.00 -1.03 0.00 0.00 54.13 55.18 2bjd s LEU 13 Cb 0.00 -3.96 -0.01 0.00 0.03 0.00 0.00 46.19 42.24 2bjd s LEU 13 CO 0.00 -0.41 0.36 -0.54 0.23 0.00 0.00 176.35 175.99 2bjd s LYS 14 N -2.10 1.39 -0.10 1.70 1.02 -0.36 -4.35 119.74 116.93 2bjd s LYS 14 Ca 0.53 -1.31 -0.01 0.00 0.02 0.00 0.00 55.97 55.20 2bjd s LYS 14 Cb -0.27 0.41 -0.03 0.00 -0.52 0.00 0.00 37.83 37.42 2bjd s LYS 14 CO 0.34 -0.54 -0.06 0.50 -0.92 0.00 0.00 175.35 174.67 2bjd s ARG 15 N -4.04 3.05 -0.08 1.68 3.52 0.56 -2.41 118.95 121.24 2bjd s ARG 15 Ca 0.25 -0.54 0.04 0.00 -0.13 0.00 0.00 55.73 55.34 2bjd s ARG 15 Cb 0.02 -2.69 -0.01 0.00 -1.56 0.00 0.00 34.95 30.70 2bjd s ARG 15 CO 0.08 0.52 -0.20 1.41 -0.81 0.00 0.00 175.30 176.30 2bjd s MET 16 N -0.43 2.87 -0.07 5.12 -2.45 0.16 -0.28 119.30 124.22 2bjd s MET 16 Ca 0.06 -0.80 0.02 0.00 -1.25 0.00 0.00 55.69 53.72 2bjd s MET 16 Cb -0.12 -2.36 -0.02 0.00 1.25 0.00 0.00 34.83 33.58 2bjd s MET 16 CO 0.02 0.34 -0.12 -0.47 1.05 0.00 0.00 175.02 175.84 2bjd s TYR 17 N -0.02 2.80 -0.01 4.11 5.04 -0.41 -0.84 117.35 128.02 2bjd s TYR 17 Ca -0.06 -0.21 0.01 0.00 -2.44 0.00 0.00 57.07 54.37 2bjd s TYR 17 Cb -0.15 -1.70 0.01 0.00 0.35 0.00 0.00 41.96 40.47 2bjd s TYR 17 CO 0.05 0.14 -0.02 0.00 -1.34 0.00 0.00 175.55 174.38 2bjd s ALA 18 N -0.50 0.23 -0.17 3.97 0.00 0.44 -0.82 121.76 124.91 2bjd s ALA 18 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.98 2bjd s ALA 18 Cb -0.12 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 2bjd s ALA 18 CO 0.02 0.02 -0.11 0.50 0.00 0.00 0.00 175.76 176.19 2bjd s ARG 19 N 0.21 3.29 -0.16 0.00 6.06 0.68 0.04 118.95 129.06 2bjd s ARG 19 Ca -0.02 -0.70 0.01 0.00 -2.50 0.00 0.00 55.73 52.52 2bjd s ARG 19 Cb -0.04 -2.75 0.01 0.00 0.06 0.00 0.00 34.95 32.22 2bjd s ARG 19 CO -0.01 -0.03 -0.18 0.08 -2.50 0.00 0.00 175.30 172.66 2bjd s VAL 20 N 0.98 2.35 0.10 7.11 1.01 0.89 -1.09 120.40 131.74 2bjd s VAL 20 Ca -0.02 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.17 2bjd s VAL 20 Cb -0.15 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2bjd s VAL 20 CO -0.01 0.53 -0.13 -0.31 0.00 0.00 0.00 175.10 175.17 2bjd s TYR 21 N 0.99 2.66 -3.42 5.22 1.51 0.20 -1.20 117.35 123.30 2bjd s TYR 21 Ca -0.02 -0.20 0.00 0.00 -1.01 0.00 0.00 57.07 55.84 2bjd s TYR 21 Cb -0.15 -1.41 0.00 0.00 -0.11 0.00 0.00 41.96 40.29 2bjd s TYR 21 CO -0.04 0.39 0.00 0.41 -1.11 0.00 0.00 175.55 175.20 2bjd n GLY 22 N 0.85 0.71 3.47 0.71 0.00 -1.26 0.13 105.19 109.80 2bjd n GLY 22 Ca -0.15 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 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 4.61 0.00 0.99 2.96 0.42 -4.63 118.68 123.03 2bjd s LEU 23 Ca 0.00 -1.64 0.00 0.00 -0.22 0.00 0.00 54.13 52.27 2bjd s LEU 23 Cb 0.00 -2.43 0.00 0.00 0.50 0.00 0.00 46.19 44.26 2bjd s LEU 23 CO 0.00 -1.25 0.30 1.33 -1.32 0.00 0.00 176.35 175.41 2bjd n VAL 24 N 5.84 0.08 -4.33 1.68 0.24 -1.26 -0.70 118.33 119.88 2bjd n VAL 24 Ca 0.17 -0.22 -0.31 0.00 -2.04 0.00 0.00 64.34 61.95 2bjd n VAL 24 Cb 0.48 1.45 -0.10 0.00 -1.47 0.00 0.00 33.84 34.20 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 -0.08 2.32 -0.80 7.34 -0.21 -1.26 -4.40 119.66 122.57 2bjd s GLN 25 Ca 0.00 -0.89 0.00 0.00 0.02 0.00 0.00 55.36 54.49 2bjd s GLN 25 Cb 0.00 -2.39 0.00 0.00 1.00 0.00 0.00 33.01 31.62 2bjd s GLN 25 CO 0.00 0.55 0.00 0.41 -2.12 0.00 0.00 175.29 174.13 2bjd n GLY 26 N 1.04 0.95 0.23 3.09 0.00 -1.26 -4.88 105.19 104.36 2bjd n GLY 26 Ca -0.14 -0.58 0.02 0.00 0.00 0.00 0.00 46.02 45.32 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 0.47 -0.97 1.61 0.24 -1.26 -5.00 118.33 110.67 2bjd n VAL 27 Ca -0.08 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 2bjd n VAL 27 Cb 0.27 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.14 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 -0.32 0.43 0.13 7.63 0.00 -1.26 -4.44 105.19 107.36 2bjd n GLY 28 Ca 0.03 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 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 0.38 -0.57 1.61 3.04 -1.95 -1.64 116.94 117.81 2bjd h PHE 29 Ca 0.00 -0.10 -0.00 0.00 3.98 0.00 0.00 57.97 61.85 2bjd h PHE 29 Cb 0.00 -0.09 -0.03 0.00 2.56 0.00 0.00 35.95 38.40 2bjd h PHE 29 CO 0.00 0.67 0.36 0.00 -2.02 0.00 0.00 178.31 177.32 2bjd h ARG 30 N -0.01 0.77 -0.63 1.11 3.08 -1.93 -0.68 114.38 116.08 2bjd h ARG 30 Ca 0.03 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2bjd h ARG 30 Cb 0.58 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 2bjd h ARG 30 CO 0.03 0.54 0.31 0.87 -1.07 0.00 0.00 179.97 180.65 2bjd h LYS 31 N 0.77 0.90 -0.14 0.04 1.57 -1.96 -1.19 116.57 116.56 2bjd h LYS 31 Ca 0.21 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2bjd h LYS 31 Cb -0.04 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 2bjd h LYS 31 CO -0.04 0.71 0.02 0.35 -0.57 0.00 0.00 179.45 179.92 2bjd h PHE 32 N 0.86 0.03 -0.72 -1.35 3.57 -0.99 -0.31 116.94 118.03 2bjd h PHE 32 Ca 0.22 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 2bjd h PHE 32 Cb 0.10 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 2bjd h PHE 32 CO -0.00 0.01 0.41 0.28 -2.23 0.00 0.00 178.31 176.78 2bjd h VAL 33 N 0.08 1.22 -0.54 1.41 2.07 -0.90 -2.04 116.25 117.55 2bjd h VAL 33 Ca 0.06 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 2bjd h VAL 33 Cb 0.06 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 2bjd h VAL 33 CO -0.09 0.23 0.23 -0.61 0.02 0.00 0.00 177.57 177.35 2bjd h GLN 34 N 0.99 0.79 -0.36 1.57 4.15 -1.03 0.13 115.11 121.36 2bjd h GLN 34 Ca 0.26 -0.13 0.03 0.00 0.77 0.00 0.00 58.65 59.57 2bjd h GLN 34 Cb 0.01 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.54 2bjd h GLN 34 CO -0.04 0.68 0.16 0.82 -1.93 0.00 0.00 178.83 178.52 2bjd h ILE 35 N 0.72 0.95 -0.40 2.39 2.04 -0.83 -1.05 117.51 121.34 2bjd h ILE 35 Ca 0.18 -0.12 -0.15 0.00 1.00 0.00 0.00 64.86 65.78 2bjd h ILE 35 Cb 0.17 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2bjd h ILE 35 CO -0.02 0.06 -0.34 0.45 0.00 0.00 0.00 178.15 178.31 2bjd h HIS 36 N 0.34 1.10 -0.27 1.37 3.86 -1.08 -2.12 115.15 118.36 2bjd h HIS 36 Ca 0.16 -0.32 0.04 0.00 -1.16 0.00 0.00 60.37 59.09 2bjd h HIS 36 Cb 0.09 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.28 2bjd h HIS 36 CO -0.11 1.14 0.05 0.00 0.86 0.00 0.00 177.93 179.86 2bjd h ALA 37 N 0.78 0.27 -0.51 2.45 0.00 -0.51 -1.47 119.26 120.27 2bjd h ALA 37 Ca 0.07 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2bjd h ALA 37 Cb 0.93 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2bjd h ALA 37 CO 0.09 -0.37 0.26 0.82 0.00 0.00 0.00 179.25 180.05 2bjd h ILE 38 N 0.14 1.19 -0.35 0.00 2.04 -1.11 0.62 117.51 120.04 2bjd h ILE 38 Ca 0.12 -0.50 0.05 0.00 1.00 0.00 0.00 64.86 65.54 2bjd h ILE 38 Cb 0.13 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 2bjd h ILE 38 CO -0.17 0.20 0.24 0.03 0.00 0.00 0.00 178.15 178.45 2bjd h ARG 39 N 0.68 0.23 -0.01 2.37 3.08 -1.13 -2.11 114.38 117.49 2bjd h ARG 39 Ca 0.18 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2bjd h ARG 39 Cb 0.08 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2bjd h ARG 39 CO -0.03 0.15 -0.18 1.28 -1.07 0.00 0.00 179.97 180.12 2bjd n LEU 40 N -4.48 1.24 -0.86 3.04 4.77 -0.58 -4.95 117.00 115.19 2bjd n LEU 40 Ca 0.04 -0.36 -0.05 0.00 -0.03 0.00 0.00 56.01 55.60 2bjd n LEU 40 Cb 0.25 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 2bjd n LEU 40 CO 0.35 0.22 -0.01 0.61 -1.33 0.00 0.00 177.39 177.23 2bjd n GLY 41 N 1.29 0.35 3.61 -0.72 0.00 -0.51 -4.87 105.19 104.33 2bjd n GLY 41 Ca 0.14 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.61 3.83 0.31 -0.61 1.01 0.10 -4.80 121.20 118.43 2bjd s ILE 42 Ca 0.06 -0.46 0.10 0.00 0.00 0.00 0.00 60.65 60.35 2bjd s ILE 42 Cb -0.03 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.81 2bjd s ILE 42 CO 0.07 0.58 -0.06 -0.54 0.00 0.00 0.00 174.94 174.99 2bjd s LYS 43 N -0.89 1.99 0.00 2.79 1.02 -0.73 -4.25 119.74 119.66 2bjd s LYS 43 Ca 0.13 -1.70 0.00 0.00 0.02 0.00 0.00 55.97 54.42 2bjd s LYS 43 Cb -0.11 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 2bjd s LYS 43 CO 0.02 0.24 0.00 0.41 -0.92 0.00 0.00 175.35 175.10 2bjd n GLY 44 N -0.83 0.59 3.42 -3.33 0.00 -0.36 -0.21 105.19 104.47 2bjd n GLY 44 Ca -0.05 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.33 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 -3.63 -0.52 -0.11 1.61 -0.85 0.10 -0.89 117.35 113.06 2bjd s TYR 45 Ca 0.00 0.30 0.02 0.00 -0.52 0.00 0.00 57.07 56.87 2bjd s TYR 45 Cb 0.00 0.54 0.01 0.00 0.38 0.00 0.00 41.96 42.90 2bjd s TYR 45 CO 0.00 -0.84 -0.17 0.00 -1.52 0.00 0.00 175.55 173.01 2bjd s ALA 46 N -3.75 1.86 -0.04 9.51 0.00 -0.59 -0.98 121.76 127.77 2bjd s ALA 46 Ca 0.01 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.19 2bjd s ALA 46 Cb -0.01 -0.86 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 2bjd s ALA 46 CO -0.13 -0.03 -0.18 0.21 0.00 0.00 0.00 175.76 175.63 2bjd s LYS 47 N 0.88 1.79 0.08 0.00 2.20 0.12 -0.95 119.74 123.86 2bjd s LYS 47 Ca -0.08 -0.64 -0.30 0.00 -0.36 0.00 0.00 55.97 54.59 2bjd s LYS 47 Cb -0.15 -1.58 -0.05 0.00 -1.51 0.00 0.00 37.83 34.54 2bjd s LYS 47 CO -0.01 0.28 1.03 -0.80 -0.36 0.00 0.00 175.35 175.50 2bjd s ASN 48 N -0.06 7.34 0.20 1.43 0.02 0.18 -0.80 114.94 123.25 2bjd s ASN 48 Ca -0.02 1.84 0.06 0.00 -1.02 0.00 0.00 52.86 53.72 2bjd s ASN 48 Cb -0.11 -2.58 -0.04 0.00 0.02 0.00 0.00 41.25 38.54 2bjd s ASN 48 CO 0.02 -0.23 0.12 -0.76 0.02 0.00 0.00 177.10 176.26 2bjd s LEU 49 N 0.47 3.67 0.12 0.60 1.43 -0.09 -4.95 118.68 119.93 2bjd s LEU 49 Ca 0.51 -0.26 0.19 0.00 -1.03 0.00 0.00 54.13 53.54 2bjd s LEU 49 Cb -0.25 -2.25 0.80 0.00 0.03 0.00 0.00 46.19 44.52 2bjd s LEU 49 CO 0.30 0.03 1.59 -0.81 0.23 0.00 0.00 176.35 177.69 2bjd n PRO 50 N -0.62 0.09 -0.01 1.29 -0.04 -1.26 -1.54 135.00 132.92 2bjd n PRO 50 Ca -0.08 0.33 0.14 0.00 -0.04 0.00 0.00 63.50 63.85 2bjd n PRO 50 Cb 0.56 -1.68 0.68 0.00 -0.04 0.00 0.00 33.50 33.02 2bjd n PRO 50 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2bjd n ASP 51 N -1.85 0.85 0.00 3.54 5.75 -1.26 -4.92 116.55 118.66 2bjd n ASP 51 Ca 0.03 -1.32 0.00 0.00 -0.01 0.00 0.00 54.79 53.49 2bjd n ASP 51 Cb 0.20 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 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 1.08 0.59 4.00 6.12 0.00 -0.59 -5.07 105.19 111.33 2bjd n GLY 52 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.90 4.88 -0.01 1.61 1.04 -1.25 -4.35 113.70 112.71 2bjd s SER 53 Ca 0.00 -0.43 0.05 0.00 0.48 0.00 0.00 55.95 56.05 2bjd s SER 53 Cb 0.00 -0.18 -0.01 0.00 0.10 0.00 0.00 66.02 65.93 2bjd s SER 53 CO 0.00 -1.46 -0.15 -0.69 0.98 0.00 0.00 173.24 171.92 2bjd s VAL 54 N -2.85 1.20 -0.05 5.02 1.01 -0.34 -0.91 120.40 123.48 2bjd s VAL 54 Ca 0.62 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.97 2bjd s VAL 54 Cb -0.07 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 2bjd s VAL 54 CO 0.40 0.33 -0.14 -1.61 0.00 0.00 0.00 175.10 174.09 2bjd s GLU 55 N -0.39 2.52 -0.07 2.72 2.02 0.02 -0.07 118.70 125.44 2bjd s GLU 55 Ca 0.06 -0.69 0.05 0.00 0.02 0.00 0.00 54.97 54.41 2bjd s GLU 55 Cb -0.06 -2.39 -0.01 0.00 0.10 0.00 0.00 34.13 31.77 2bjd s GLU 55 CO -0.01 0.63 -0.24 0.08 0.02 0.00 0.00 175.26 175.74 2bjd s VAL 56 N -0.74 2.02 -0.11 2.63 1.01 0.11 0.12 120.40 125.45 2bjd s VAL 56 Ca 0.11 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2bjd s VAL 56 Cb -0.11 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.55 2bjd s VAL 56 CO 0.01 0.56 -0.21 -0.69 0.00 0.00 0.00 175.10 174.76 2bjd s VAL 57 N 0.04 1.88 -0.01 2.92 1.01 -0.15 -0.42 120.40 125.67 2bjd s VAL 57 Ca -0.09 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 60.99 2bjd s VAL 57 Cb -0.15 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.58 2bjd s VAL 57 CO 0.06 0.52 -0.01 0.00 0.00 0.00 0.00 175.10 175.67 2bjd s ALA 58 N 0.56 0.20 -0.03 5.51 0.00 -0.02 0.03 121.76 128.01 2bjd s ALA 58 Ca -0.14 0.02 0.05 0.00 0.00 0.00 0.00 51.96 51.89 2bjd s ALA 58 Cb -0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 2bjd s ALA 58 CO 0.05 -0.00 -0.18 -1.21 0.00 0.00 0.00 175.76 174.41 2bjd s GLU 59 N 0.36 1.72 0.00 0.00 2.02 0.71 0.37 118.70 123.89 2bjd s GLU 59 Ca -0.03 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.32 2bjd s GLU 59 Cb -0.06 -1.54 0.00 0.00 0.10 0.00 0.00 34.13 32.63 2bjd s GLU 59 CO -0.01 0.30 0.00 0.41 0.02 0.00 0.00 175.26 175.98 2bjd n GLY 60 N 2.96 -1.23 3.80 -1.39 0.00 -1.01 -1.78 105.19 106.55 2bjd n GLY 60 Ca -0.17 -1.15 -0.34 0.00 0.00 0.00 0.00 46.02 44.36 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 3.14 0.21 1.61 1.51 -1.26 -1.23 117.35 118.34 2bjd s TYR 61 Ca 0.00 1.60 -0.09 0.00 -1.01 0.00 0.00 57.07 57.57 2bjd s TYR 61 Cb 0.00 -3.01 0.28 0.00 -0.11 0.00 0.00 41.96 39.12 2bjd s TYR 61 CO 0.00 -0.56 1.76 0.93 -1.11 0.00 0.00 175.55 176.57 2bjd h GLU 62 N 1.84 0.48 -0.87 -0.62 5.08 -1.71 -1.26 114.58 117.52 2bjd h GLU 62 Ca -0.49 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 57.82 2bjd h GLU 62 Cb 1.21 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 2bjd h GLU 62 CO 0.60 0.32 0.45 1.49 -1.00 0.00 0.00 179.01 180.87 2bjd h GLU 63 N 0.50 1.24 -0.47 2.33 4.81 -1.92 -0.43 114.58 120.64 2bjd h GLU 63 Ca 0.31 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 2bjd h GLU 63 Cb 0.34 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2bjd h GLU 63 CO -0.27 0.93 0.07 0.00 -0.73 0.00 0.00 179.01 179.01 2bjd h ALA 64 N 1.26 0.62 -0.73 2.92 0.00 -1.75 -1.79 119.26 119.80 2bjd h ALA 64 Ca 0.30 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2bjd h ALA 64 Cb 0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2bjd h ALA 64 CO -0.04 0.35 0.32 -0.07 0.00 0.00 0.00 179.25 179.80 2bjd h LEU 65 N 0.65 0.98 -0.85 0.00 3.38 -0.78 -0.31 115.31 118.37 2bjd h LEU 65 Ca 0.14 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2bjd h LEU 65 Cb 0.39 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 2bjd h LEU 65 CO 0.01 0.87 0.55 0.77 0.09 0.00 0.00 178.44 180.72 2bjd h SER 66 N 1.03 0.90 -0.59 -0.43 4.64 -0.82 0.33 113.55 118.62 2bjd h SER 66 Ca 0.25 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.47 2bjd h SER 66 Cb 0.17 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 2bjd h SER 66 CO -0.02 0.62 0.02 0.11 -0.87 0.00 0.00 176.83 176.69 2bjd h LYS 67 N 1.06 1.02 -0.78 4.77 1.57 -0.66 -1.72 116.57 121.82 2bjd h LYS 67 Ca 0.34 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2bjd h LYS 67 Cb 0.02 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 2bjd h LYS 67 CO -0.12 1.00 0.33 1.25 -0.57 0.00 0.00 179.45 181.34 2bjd h LEU 68 N 0.91 1.06 -0.86 2.94 5.85 -0.64 -2.19 115.31 122.39 2bjd h LEU 68 Ca 0.17 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2bjd h LEU 68 Cb 0.52 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2bjd h LEU 68 CO 0.03 0.92 0.47 0.25 -0.34 0.00 0.00 178.44 179.76 2bjd h LEU 69 N 1.13 1.07 -1.07 2.25 5.85 -0.52 0.97 115.31 125.00 2bjd h LEU 69 Ca 0.26 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2bjd h LEU 69 Cb 0.18 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 2bjd h LEU 69 CO -0.03 0.87 0.50 -0.33 -0.34 0.00 0.00 178.44 179.11 2bjd h GLU 70 N 1.19 1.14 -0.48 1.25 5.08 -0.91 -1.53 114.58 120.33 2bjd h GLU 70 Ca 0.30 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.42 2bjd h GLU 70 Cb 0.03 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 2bjd h GLU 70 CO -0.05 0.80 -0.21 0.00 -1.00 0.00 0.00 179.01 178.55 2bjd h ARG 71 N 1.16 0.99 -0.78 2.33 2.47 -0.70 -2.95 114.38 116.89 2bjd h ARG 71 Ca 0.30 -0.42 0.01 0.00 -1.26 0.00 0.00 59.98 58.61 2bjd h ARG 71 Cb -0.04 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.21 2bjd h ARG 71 CO -0.06 1.10 0.52 0.82 0.56 0.00 0.00 179.97 182.91 2bjd h ILE 72 N 0.84 1.20 0.00 2.04 2.04 -0.37 0.64 117.51 123.90 2bjd h ILE 72 Ca 0.11 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 2bjd h ILE 72 Cb 0.79 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2bjd h ILE 72 CO 0.07 0.19 -0.13 0.11 0.00 0.00 0.00 178.15 178.39 2bjd h LYS 73 N 1.06 0.00 0.00 2.37 1.57 -1.13 -3.29 116.57 117.14 2bjd h LYS 73 Ca 0.29 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.89 2bjd h LYS 73 Cb -0.12 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2bjd h LYS 73 CO -0.06 0.13 -1.14 0.94 -0.57 0.00 0.00 179.45 178.75 2bjd n GLN 74 N -3.50 0.53 -0.29 3.15 7.27 -0.40 -4.78 117.38 119.37 2bjd n GLN 74 Ca -0.01 0.54 0.04 0.00 0.07 0.00 0.00 57.00 57.63 2bjd n GLN 74 Cb 0.28 -1.71 -0.01 0.00 2.41 0.00 0.00 30.24 31.21 2bjd n GLN 74 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2bjd n GLY 75 N 1.47 -2.02 3.76 1.69 0.00 0.08 -4.68 105.19 105.50 2bjd n GLY 75 Ca -0.26 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.16 1.59 0.36 1.61 0.04 -1.26 -4.90 135.00 130.28 2bjd s PRO 76 Ca 0.00 0.70 0.11 0.00 0.04 0.00 0.00 61.00 61.85 2bjd s PRO 76 Cb 0.00 -1.86 0.89 0.00 0.04 0.00 0.00 34.50 33.58 2bjd s PRO 76 CO 0.00 -1.98 1.81 -1.35 0.04 0.00 0.00 177.00 175.52 2bjd h PRO 77 N -1.35 0.59 0.00 0.56 0.11 -1.90 -1.42 132.00 128.59 2bjd h PRO 77 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2bjd h PRO 77 Cb 1.28 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2bjd h PRO 77 CO 0.57 0.39 0.00 0.00 -0.21 0.00 0.00 178.00 178.75 2bjd h ALA 78 N 1.62 1.00 -2.27 -0.75 0.00 -1.92 -3.44 119.26 113.50 2bjd h ALA 78 Ca 0.53 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.96 2bjd h ALA 78 Cb 1.03 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.83 2bjd h ALA 78 CO -0.28 0.00 0.22 0.00 0.00 0.00 0.00 179.25 179.19 2bjd s ALA 79 N -3.62 3.23 -0.42 0.00 0.00 -0.53 -4.94 121.76 115.48 2bjd s ALA 79 Ca 0.02 -0.04 0.02 0.00 0.00 0.00 0.00 51.96 51.95 2bjd s ALA 79 Cb 0.09 -2.88 0.13 0.00 0.00 0.00 0.00 23.12 20.47 2bjd s ALA 79 CO 0.53 -0.10 0.22 -2.00 0.00 0.00 0.00 175.76 174.41 2bjd s GLU 80 N -3.93 1.20 -0.20 0.00 2.12 0.13 -4.87 118.70 113.14 2bjd s GLU 80 Ca 0.54 -1.89 -0.29 0.00 0.36 0.00 0.00 54.97 53.69 2bjd s GLU 80 Cb -0.10 -2.26 0.00 0.00 0.26 0.00 0.00 34.13 32.03 2bjd s GLU 80 CO 0.31 -1.15 1.04 0.08 -0.54 0.00 0.00 175.26 175.00 2bjd s VAL 81 N 0.51 4.70 -0.17 3.70 1.01 -1.26 -0.44 120.40 128.44 2bjd s VAL 81 Ca 0.17 2.02 0.18 0.00 0.00 0.00 0.00 61.98 64.35 2bjd s VAL 81 Cb -0.24 -4.30 -0.26 0.00 0.00 0.00 0.00 36.38 31.58 2bjd s VAL 81 CO -0.01 -0.13 0.12 -0.62 0.00 0.00 0.00 175.10 174.46 2bjd n GLU 82 N 6.01 0.75 -3.64 2.72 -0.58 0.12 -4.97 120.64 121.04 2bjd n GLU 82 Ca 0.11 -0.04 -0.09 0.00 -0.42 0.00 0.00 57.16 56.72 2bjd n GLU 82 Cb 0.47 -1.51 -0.07 0.00 -0.57 0.00 0.00 31.44 29.76 2bjd n GLU 82 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2bjd s LYS 83 N -2.62 0.67 -0.09 3.49 2.20 -1.10 -5.00 119.74 117.29 2bjd s LYS 83 Ca -0.10 0.95 0.01 0.00 -0.36 0.00 0.00 55.97 56.48 2bjd s LYS 83 Cb 0.07 0.25 0.02 0.00 -1.51 0.00 0.00 37.83 36.66 2bjd s LYS 83 CO 0.82 -0.11 -0.09 0.08 -0.36 0.00 0.00 175.35 175.69 2bjd s VAL 84 N 0.89 1.05 -0.13 4.02 1.01 -1.26 -0.63 120.40 125.35 2bjd s VAL 84 Ca -0.04 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 2bjd s VAL 84 Cb -0.05 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 2bjd s VAL 84 CO -0.09 0.35 0.05 -1.81 0.00 0.00 0.00 175.10 173.60 2bjd s ASP 85 N 1.22 5.60 0.04 3.32 1.01 -0.25 -4.96 116.67 122.65 2bjd s ASP 85 Ca -0.04 0.18 -0.00 0.00 0.71 0.00 0.00 52.55 53.40 2bjd s ASP 85 Cb -0.14 -1.79 -0.03 0.00 1.01 0.00 0.00 42.92 41.97 2bjd s ASP 85 CO -0.03 0.30 -0.04 -0.72 0.21 0.00 0.00 175.17 174.90 2bjd s TYR 86 N -0.41 0.43 0.15 4.23 -0.85 -1.26 -0.23 117.35 119.41 2bjd s TYR 86 Ca 0.09 -0.76 -0.02 0.00 -0.52 0.00 0.00 57.07 55.86 2bjd s TYR 86 Cb -0.12 -0.30 -0.04 0.00 0.38 0.00 0.00 41.96 41.88 2bjd s TYR 86 CO 0.02 -0.25 0.10 0.45 -1.52 0.00 0.00 175.55 174.34 2bjd s SER 87 N -2.13 0.25 0.04 -0.18 0.15 -0.00 -4.98 113.70 106.85 2bjd s SER 87 Ca -0.05 -1.19 0.06 0.00 0.70 0.00 0.00 55.95 55.47 2bjd s SER 87 Cb -0.02 0.33 -0.02 0.00 -1.71 0.00 0.00 66.02 64.59 2bjd s SER 87 CO -0.05 -0.77 -0.17 -0.36 1.20 0.00 0.00 173.24 173.10 2bjd s PHE 88 N -4.05 1.47 0.18 3.44 0.08 -1.26 -1.28 117.98 116.56 2bjd s PHE 88 Ca 0.25 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.94 2bjd s PHE 88 Cb 0.07 -0.87 0.00 0.00 -0.57 0.00 0.00 43.02 41.64 2bjd s PHE 88 CO 0.03 0.06 0.24 -1.13 -0.10 0.00 0.00 175.22 174.32 2bjd n SER 89 N 1.87 -0.65 -4.77 1.36 3.41 0.62 -4.99 113.62 110.47 2bjd n SER 89 Ca -0.18 -2.04 -0.40 0.00 -0.26 0.00 0.00 58.87 56.00 2bjd n SER 89 Cb 0.54 1.25 -0.03 0.00 -0.26 0.00 0.00 64.21 65.71 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 -2.49 4.40 0.23 4.33 2.02 -1.26 -0.32 118.70 125.62 2bjd s GLU 90 Ca 0.17 1.93 -0.30 0.00 0.02 0.00 0.00 54.97 56.79 2bjd s GLU 90 Cb -0.00 -3.01 -0.10 0.00 0.10 0.00 0.00 34.13 31.11 2bjd s GLU 90 CO 0.12 -0.05 1.50 -0.47 0.02 0.00 0.00 175.26 176.39 2bjd s TYR 91 N -1.23 2.98 -0.43 1.61 5.04 -1.26 -4.13 117.35 119.93 2bjd s TYR 91 Ca 0.49 0.87 0.05 0.00 -2.44 0.00 0.00 57.07 56.04 2bjd s TYR 91 Cb -0.34 -3.90 -0.00 0.00 0.35 0.00 0.00 41.96 38.07 2bjd s TYR 91 CO 0.44 -3.05 0.43 1.63 -1.34 0.00 0.00 175.55 173.66 2bjd n LYS 92 N 2.78 2.56 -3.28 4.97 4.76 -1.26 -4.96 118.16 123.74 2bjd n LYS 92 Ca 0.09 -0.41 -0.17 0.00 -2.87 0.00 0.00 58.31 54.95 2bjd n LYS 92 Cb 0.39 -0.91 0.06 0.00 -1.84 0.00 0.00 35.03 32.73 2bjd n LYS 92 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2bjd n GLY 93 N 0.69 -0.15 0.08 0.72 0.00 -1.26 -4.93 105.19 100.34 2bjd n GLY 93 Ca 0.02 0.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.94 0.00 -6.33 1.61 4.81 -2.00 -3.48 114.58 107.25 2bjd h GLU 94 Ca -0.42 0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 58.16 2bjd h GLU 94 Cb 1.27 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.53 2bjd h GLU 94 CO 0.41 0.66 -0.66 -0.06 -0.73 0.00 0.00 179.01 178.63 2bjd s PHE 95 N -2.73 3.00 0.00 0.92 0.40 -1.26 -5.00 117.98 113.31 2bjd s PHE 95 Ca -0.01 -0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.30 2bjd s PHE 95 Cb 0.09 -1.55 0.00 0.00 0.51 0.00 0.00 43.02 42.07 2bjd s PHE 95 CO 0.81 0.48 0.89 0.39 0.70 0.00 0.00 175.22 178.49 2bjd n GLU 96 N 0.63 2.20 -3.85 0.44 4.71 -1.26 -4.90 120.64 118.62 2bjd n GLU 96 Ca -0.11 -1.29 -0.04 0.00 -0.01 0.00 0.00 57.16 55.71 2bjd n GLU 96 Cb 0.52 -0.99 0.01 0.00 -1.01 0.00 0.00 31.44 29.98 2bjd n GLU 96 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2bjd s ASP 97 N -0.79 -0.03 -0.30 1.62 -1.08 -1.26 -5.07 116.67 109.76 2bjd s ASP 97 Ca 0.00 -0.69 -0.10 0.00 -0.52 0.00 0.00 52.55 51.24 2bjd s ASP 97 Cb 0.00 0.55 -0.02 0.00 -1.46 0.00 0.00 42.92 41.99 2bjd s ASP 97 CO 0.00 -1.07 0.15 0.12 0.52 0.00 0.00 175.17 174.88 2bjd s PHE 98 N -2.39 3.17 0.36 -5.34 2.19 -1.26 -1.23 117.98 113.49 2bjd s PHE 98 Ca 0.19 -0.43 0.08 0.00 0.33 0.00 0.00 56.93 57.11 2bjd s PHE 98 Cb -0.03 -2.34 -0.04 0.00 -1.31 0.00 0.00 43.02 39.30 2bjd s PHE 98 CO 0.06 -0.39 0.17 -1.21 1.83 0.00 0.00 175.22 175.68 2bjd s GLU 99 N 1.64 2.36 0.08 10.12 0.41 -0.07 -4.92 118.70 128.33 2bjd s GLU 99 Ca 0.05 -1.61 0.08 0.00 -0.41 0.00 0.00 54.97 53.08 2bjd s GLU 99 Cb -0.17 -2.16 -0.03 0.00 -1.78 0.00 0.00 34.13 30.00 2bjd s GLU 99 CO 0.07 0.03 -0.20 0.95 -0.49 0.00 0.00 175.26 175.62 2bjd s THR 100 N -2.46 1.63 0.00 3.63 -4.23 -1.26 -1.53 115.64 111.41 2bjd s THR 100 Ca 0.39 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 2bjd s THR 100 Cb -0.01 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.36 2bjd s THR 100 CO 0.23 0.00 0.02 -1.22 -0.54 0.00 0.00 174.62 173.11