#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jtz s LEU 3 N 0.00 4.27 0.17 1.04 1.43 -1.26 -4.91 118.68 119.42 3jtz s LEU 3 Ca 0.00 0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 3jtz s LEU 3 Cb 0.00 -2.81 -0.05 0.00 0.03 0.00 0.00 46.19 43.36 3jtz s LEU 3 CO 0.00 -0.06 -0.06 0.42 0.23 0.00 0.00 176.35 176.88 3jtz s THR 4 N -1.98 1.05 0.27 5.49 -4.23 -1.26 -5.03 115.64 109.95 3jtz s THR 4 Ca 0.34 -2.04 -0.04 0.00 -1.18 0.00 0.00 61.69 58.77 3jtz s THR 4 Cb -0.09 -1.99 0.23 0.00 1.34 0.00 0.00 72.50 71.99 3jtz s THR 4 CO 0.29 -0.62 1.91 -0.78 -0.54 0.00 0.00 174.62 174.88 3jtz h ASP 5 N 2.71 1.02 -0.54 3.99 3.58 -2.00 -0.98 116.42 124.20 3jtz h ASP 5 Ca -0.37 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 56.99 3jtz h ASP 5 Cb 1.20 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.97 3jtz h ASP 5 CO 0.64 0.79 0.21 0.00 -2.88 0.00 0.00 179.24 178.00 3jtz h ALA 6 N 1.39 0.71 -0.70 -0.78 0.00 -1.98 0.22 119.26 118.11 3jtz h ALA 6 Ca 0.30 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3jtz h ALA 6 Cb -0.04 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 3jtz h ALA 6 CO -0.06 0.32 0.47 0.87 0.00 0.00 0.00 179.25 180.85 3jtz h LYS 7 N 0.74 0.92 -0.03 0.00 1.57 -1.86 -1.46 116.57 116.45 3jtz h LYS 7 Ca 0.18 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3jtz h LYS 7 Cb 0.21 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3jtz h LYS 7 CO -0.01 0.61 0.02 0.82 -0.57 0.00 0.00 179.45 180.32 3jtz h ILE 8 N 0.95 1.04 0.00 1.86 2.04 -0.66 -2.68 117.51 120.06 3jtz h ILE 8 Ca 0.26 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 3jtz h ILE 8 Cb -0.11 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3jtz h ILE 8 CO -0.06 0.04 -0.08 0.03 0.00 0.00 0.00 178.15 178.07 3jtz h ARG 9 N 0.00 0.00 0.00 2.37 3.08 -0.74 -1.47 114.38 117.62 3jtz h ARG 9 Ca 0.01 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.94 3jtz h ARG 9 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3jtz h ARG 9 CO -0.00 0.08 -0.58 1.15 -1.07 0.00 0.00 179.97 179.55 3jtz h THR 10 N 0.00 1.09 -3.61 2.04 2.02 -1.02 -3.45 112.91 109.98 3jtz h THR 10 Ca -0.00 -2.27 -0.57 0.00 0.77 0.00 0.00 66.41 64.34 3jtz h THR 10 Cb 0.39 2.35 0.14 0.00 -1.74 0.00 0.00 68.15 69.29 3jtz h THR 10 CO 0.01 0.57 0.37 0.18 0.37 0.00 0.00 175.52 177.02 3jtz n LEU 11 N -3.38 4.13 -4.09 2.58 4.77 -0.56 -5.03 117.00 115.43 3jtz n LEU 11 Ca 0.01 0.98 -0.19 0.00 -0.03 0.00 0.00 56.01 56.77 3jtz n LEU 11 Cb 0.71 -1.47 -0.14 0.00 -2.33 0.00 0.00 43.42 40.19 3jtz n LEU 11 CO 0.41 -1.10 -0.45 -1.59 -1.33 0.00 0.00 177.39 173.33 3jtz s LYS 12 N -2.52 0.83 0.35 3.23 0.00 -1.26 -5.04 119.74 115.32 3jtz s LYS 12 Ca 0.68 -0.62 -0.27 0.00 0.00 0.00 0.00 55.97 55.77 3jtz s LYS 12 Cb -0.46 -0.79 -0.12 0.00 0.00 0.00 0.00 37.83 36.45 3jtz s LYS 12 CO 0.52 0.20 1.08 -2.30 0.00 0.00 0.00 175.35 174.85 3jtz n PRO 13 N 2.17 1.56 0.00 1.78 -0.02 -1.26 -4.99 135.00 134.24 3jtz n PRO 13 Ca -0.17 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3jtz n PRO 13 Cb 0.55 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3jtz n PRO 13 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3jtz n SER 14 N 0.88 1.64 -0.66 2.55 3.41 -1.26 -4.97 113.62 115.21 3jtz n SER 14 Ca 0.08 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.81 3jtz n SER 14 Cb 0.35 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.67 3jtz n SER 14 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3jtz n ASP 15 N 0.00 2.00 -3.84 4.04 3.85 -1.26 -4.13 116.55 117.22 3jtz n ASP 15 Ca 0.00 -1.73 -0.12 0.00 -0.71 0.00 0.00 54.79 52.23 3jtz n ASP 15 Cb 0.00 -0.09 -0.11 0.00 -1.35 0.00 0.00 41.12 39.57 3jtz n ASP 15 CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 3jtz s LYS 16 N -1.81 0.36 0.55 0.11 2.20 -1.26 -4.92 119.74 114.97 3jtz s LYS 16 Ca 0.34 -0.07 -0.21 0.00 -0.36 0.00 0.00 55.97 55.67 3jtz s LYS 16 Cb 0.19 0.16 -0.05 0.00 -1.51 0.00 0.00 37.83 36.62 3jtz s LYS 16 CO 0.29 -0.07 1.33 -2.14 -0.36 0.00 0.00 175.35 174.40 3jtz s PRO 17 N -0.66 3.13 0.11 4.03 0.02 -1.26 -4.62 135.00 135.75 3jtz s PRO 17 Ca -0.07 2.17 -0.10 0.00 0.02 0.00 0.00 61.00 63.01 3jtz s PRO 17 Cb -0.04 -2.22 0.00 0.00 0.02 0.00 0.00 34.50 32.26 3jtz s PRO 17 CO 0.01 -1.18 0.24 -0.59 -0.33 0.00 0.00 177.00 175.15 3jtz s PHE 18 N -1.34 0.15 -0.00 6.54 -0.71 -0.56 -5.00 117.98 117.06 3jtz s PHE 18 Ca 0.72 -0.56 0.07 0.00 -1.04 0.00 0.00 56.93 56.13 3jtz s PHE 18 Cb -0.39 -0.02 -0.02 0.00 -1.21 0.00 0.00 43.02 41.38 3jtz s PHE 18 CO 0.45 -0.60 -0.23 0.15 -1.34 0.00 0.00 175.22 173.65 3jtz s LYS 19 N -3.88 2.09 -0.10 1.99 1.02 -1.26 -0.51 119.74 119.09 3jtz s LYS 19 Ca 0.07 -0.94 0.03 0.00 0.02 0.00 0.00 55.97 55.15 3jtz s LYS 19 Cb 0.04 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 3jtz s LYS 19 CO -0.09 0.56 -0.21 0.14 -0.92 0.00 0.00 175.35 174.82 3jtz s VAL 20 N -0.72 1.90 0.07 3.17 -7.23 -0.40 -4.96 120.40 112.22 3jtz s VAL 20 Ca 0.11 -0.92 -0.17 0.00 -1.81 0.00 0.00 61.98 59.20 3jtz s VAL 20 Cb -0.10 -1.66 -0.06 0.00 0.56 0.00 0.00 36.38 35.11 3jtz s VAL 20 CO 0.01 0.52 0.52 -0.55 -0.31 0.00 0.00 175.10 175.29 3jtz s SER 21 N 0.52 6.93 0.00 4.85 0.15 -1.26 -0.94 113.70 123.95 3jtz s SER 21 Ca -0.15 1.13 0.00 0.00 0.70 0.00 0.00 55.95 57.63 3jtz s SER 21 Cb -0.17 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 3jtz s SER 21 CO 0.06 0.25 0.00 -0.67 1.20 0.00 0.00 173.24 174.08 3jtz n ASP 22 N 1.53 0.00 -3.61 5.45 4.64 -0.09 -4.11 116.55 120.35 3jtz n ASP 22 Ca -0.10 0.00 -0.04 0.00 -1.38 0.00 0.00 54.79 53.27 3jtz n ASP 22 Cb 0.51 -0.00 -0.01 0.00 -1.04 0.00 0.00 41.12 40.58 3jtz n ASP 22 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 3jtz s SER 23 N -1.02 -0.19 -1.44 1.67 1.04 -1.25 -3.38 113.70 109.13 3jtz s SER 23 Ca 0.00 -0.13 -0.08 0.00 0.48 0.00 0.00 55.95 56.22 3jtz s SER 23 Cb 0.00 0.29 0.05 0.00 0.10 0.00 0.00 66.02 66.46 3jtz s SER 23 CO 0.00 -0.51 0.89 1.41 0.98 0.00 0.00 173.24 176.02 3jtz n HIS 24 N -0.32 -2.20 0.00 5.02 8.25 -1.26 -2.15 115.22 122.56 3jtz n HIS 24 Ca -0.06 0.89 0.00 0.00 -0.26 0.00 0.00 57.72 58.29 3jtz n HIS 24 Cb 0.61 -4.20 0.00 0.00 1.12 0.00 0.00 29.99 27.52 3jtz n HIS 24 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3jtz n GLY 25 N -1.67 1.62 3.73 -1.41 0.00 -1.26 -4.90 105.19 101.30 3jtz n GLY 25 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 3jtz n GLY 25 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jtz s LEU 26 N 0.00 4.35 0.10 0.99 2.96 -0.91 -0.97 118.68 125.20 3jtz s LEU 26 Ca 0.00 1.19 -0.09 0.00 -0.22 0.00 0.00 54.13 55.02 3jtz s LEU 26 Cb 0.00 -3.05 -0.00 0.00 0.50 0.00 0.00 46.19 43.64 3jtz s LEU 26 CO 0.00 -0.05 0.21 -0.72 -1.32 0.00 0.00 176.35 174.47 3jtz s TYR 27 N 0.48 0.19 -0.19 5.38 1.13 -0.25 -0.91 117.35 123.16 3jtz s TYR 27 Ca 0.36 -0.61 -0.05 0.00 -1.41 0.00 0.00 57.07 55.36 3jtz s TYR 27 Cb -0.18 -0.06 -0.03 0.00 -1.10 0.00 0.00 41.96 40.60 3jtz s TYR 27 CO 0.18 -0.57 0.00 -1.17 -2.51 0.00 0.00 175.55 171.48 3jtz s LEU 28 N -2.88 3.30 -0.25 -3.49 2.96 -0.11 -0.94 118.68 117.26 3jtz s LEU 28 Ca 0.07 -0.17 -0.14 0.00 -0.22 0.00 0.00 54.13 53.67 3jtz s LEU 28 Cb 0.05 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 3jtz s LEU 28 CO -0.09 0.08 0.31 -0.22 -1.32 0.00 0.00 176.35 175.11 3jtz s LEU 29 N 0.89 4.07 -0.23 -0.68 2.96 0.39 -1.28 118.68 124.80 3jtz s LEU 29 Ca 0.01 0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 54.14 3jtz s LEU 29 Cb -0.14 -2.33 0.00 0.00 0.50 0.00 0.00 46.19 44.22 3jtz s LEU 29 CO 0.02 -0.10 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.20 3jtz s VAL 30 N 1.72 3.10 0.18 1.68 1.01 0.33 -1.30 120.40 127.12 3jtz s VAL 30 Ca 0.13 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.47 3jtz s VAL 30 Cb -0.15 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 3jtz s VAL 30 CO 0.09 0.37 0.18 -0.54 0.00 0.00 0.00 175.10 175.19 3jtz s LYS 31 N 1.42 3.00 0.41 2.72 1.02 -0.46 -1.50 119.74 126.35 3jtz s LYS 31 Ca 0.04 -0.86 0.12 0.00 0.02 0.00 0.00 55.97 55.29 3jtz s LYS 31 Cb -0.15 -2.68 0.96 0.00 -0.52 0.00 0.00 37.83 35.44 3jtz s LYS 31 CO -0.05 0.47 1.95 -1.35 -0.92 0.00 0.00 175.35 175.46 3jtz h PRO 32 N 2.15 0.49 0.00 -1.68 0.11 -1.82 -0.16 132.00 131.09 3jtz h PRO 32 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3jtz h PRO 32 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3jtz h PRO 32 CO 0.63 0.32 0.00 0.41 -0.21 0.00 0.00 178.00 179.16 3jtz n GLY 33 N -1.50 -0.92 0.00 -0.55 0.00 -1.26 -4.70 105.19 96.26 3jtz n GLY 33 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3jtz n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jtz n GLY 34 N 0.51 1.36 3.73 -0.02 0.00 -0.07 -5.08 105.19 105.61 3jtz n GLY 34 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3jtz n GLY 34 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3jtz n SER 35 N 0.00 3.54 -3.90 1.61 2.88 -1.25 -4.80 113.62 111.70 3jtz n SER 35 Ca 0.00 1.15 -0.29 0.00 -1.33 0.00 0.00 58.87 58.40 3jtz n SER 35 Cb 0.00 -1.55 -0.16 0.00 -0.75 0.00 0.00 64.21 61.75 3jtz n SER 35 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3jtz s ARG 36 N -0.59 1.45 -0.01 -1.46 0.52 -1.26 -1.35 118.95 116.26 3jtz s ARG 36 Ca 0.64 -0.68 0.02 0.00 -0.52 0.00 0.00 55.73 55.20 3jtz s ARG 36 Cb -0.54 -2.24 -0.01 0.00 0.52 0.00 0.00 34.95 32.69 3jtz s ARG 36 CO 0.50 -0.51 -0.08 -1.58 0.02 0.00 0.00 175.30 173.65 3jtz s HIS 37 N 1.57 0.74 0.13 -0.53 2.46 -0.42 -1.01 115.29 118.21 3jtz s HIS 37 Ca -0.02 -0.14 -0.24 0.00 0.47 0.00 0.00 55.06 55.13 3jtz s HIS 37 Cb -0.17 -0.48 -0.07 0.00 -0.13 0.00 0.00 32.58 31.73 3jtz s HIS 37 CO -0.07 -0.02 0.74 -1.58 -2.47 0.00 0.00 174.74 171.34 3jtz s TRP 38 N -0.16 3.86 0.05 3.88 0.52 -0.04 -0.46 118.94 126.58 3jtz s TRP 38 Ca 0.03 1.55 0.02 0.00 0.02 0.00 0.00 56.10 57.72 3jtz s TRP 38 Cb -0.03 -2.74 -0.03 0.00 -1.15 0.00 0.00 33.47 29.52 3jtz s TRP 38 CO -0.00 0.48 -0.07 0.71 0.02 0.00 0.00 176.95 178.08 3jtz s TYR 39 N -0.92 0.68 -0.15 -1.98 1.51 -0.12 -0.46 117.35 115.92 3jtz s TYR 39 Ca 0.35 -0.57 0.02 0.00 -1.01 0.00 0.00 57.07 55.86 3jtz s TYR 39 Cb -0.22 -0.41 0.01 0.00 -0.11 0.00 0.00 41.96 41.23 3jtz s TYR 39 CO 0.25 -0.10 -0.21 -1.17 -1.11 0.00 0.00 175.55 173.21 3jtz s LEU 40 N -1.81 2.09 0.15 -1.29 2.96 0.04 -1.09 118.68 119.73 3jtz s LEU 40 Ca -0.07 -0.61 -0.08 0.00 -0.22 0.00 0.00 54.13 53.16 3jtz s LEU 40 Cb -0.08 -1.43 -0.06 0.00 0.50 0.00 0.00 46.19 45.12 3jtz s LEU 40 CO -0.01 0.05 0.43 -1.59 -1.32 0.00 0.00 176.35 173.91 3jtz s LYS 41 N 1.00 3.72 0.01 1.98 -2.85 -0.15 -0.79 119.74 122.66 3jtz s LYS 41 Ca -0.03 0.10 -0.13 0.00 -1.00 0.00 0.00 55.97 54.91 3jtz s LYS 41 Cb -0.15 -2.84 0.02 0.00 -2.06 0.00 0.00 37.83 32.80 3jtz s LYS 41 CO -0.06 0.45 0.28 1.52 0.10 0.00 0.00 175.35 177.64 3jtz s TYR 42 N -1.62 -0.11 -0.08 1.78 1.13 -0.41 -4.65 117.35 113.38 3jtz s TYR 42 Ca 0.40 0.09 0.02 0.00 -1.41 0.00 0.00 57.07 56.17 3jtz s TYR 42 Cb -0.12 0.07 0.01 0.00 -1.10 0.00 0.00 41.96 40.81 3jtz s TYR 42 CO 0.22 -0.41 -0.14 0.50 -2.51 0.00 0.00 175.55 173.21 3jtz s ARG 43 N -1.78 1.95 -0.06 -3.49 3.52 -1.26 -1.16 118.95 116.67 3jtz s ARG 43 Ca -0.11 -0.48 0.01 0.00 -0.13 0.00 0.00 55.73 55.02 3jtz s ARG 43 Cb -0.04 -1.63 0.02 0.00 -1.56 0.00 0.00 34.95 31.74 3jtz s ARG 43 CO 0.01 -0.01 -0.05 0.42 -0.81 0.00 0.00 175.30 174.87 3jtz s ILE 44 N 0.80 0.62 -1.17 4.11 1.01 0.07 -4.88 121.20 121.76 3jtz s ILE 44 Ca -0.11 -0.14 -0.19 0.00 0.00 0.00 0.00 60.65 60.21 3jtz s ILE 44 Cb -0.16 -0.66 0.03 0.00 0.01 0.00 0.00 42.46 41.68 3jtz s ILE 44 CO 0.02 0.26 0.36 -1.54 0.00 0.00 0.00 174.94 174.04 3jtz n SER 45 N 4.30 -1.84 0.00 3.58 3.41 -1.26 -1.55 113.62 120.26 3jtz n SER 45 Ca -0.20 -1.13 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 3jtz n SER 45 Cb 0.51 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.08 3jtz n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jtz n GLY 46 N -2.13 1.10 3.42 5.00 0.00 -1.26 -5.01 105.19 106.31 3jtz n GLY 46 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 3jtz n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jtz s LYS 47 N -0.07 2.95 -0.12 1.61 1.02 -0.59 -5.12 119.74 119.42 3jtz s LYS 47 Ca 0.00 -0.70 -0.01 0.00 0.02 0.00 0.00 55.97 55.29 3jtz s LYS 47 Cb 0.00 -2.50 -0.02 0.00 -0.52 0.00 0.00 37.83 34.79 3jtz s LYS 47 CO 0.00 0.41 -0.09 -2.00 -0.92 0.00 0.00 175.35 172.75 3jtz s GLU 48 N -0.17 3.28 0.40 1.68 2.12 -1.26 -0.76 118.70 123.99 3jtz s GLU 48 Ca -0.00 -0.61 0.04 0.00 0.36 0.00 0.00 54.97 54.75 3jtz s GLU 48 Cb -0.13 -2.68 -0.01 0.00 0.26 0.00 0.00 34.13 31.56 3jtz s GLU 48 CO 0.03 0.34 0.14 0.43 -0.54 0.00 0.00 175.26 175.66 3jtz n SER 49 N 3.19 1.22 -3.96 -1.70 7.64 -0.31 -4.98 113.62 114.72 3jtz n SER 49 Ca -0.18 -3.11 -0.09 0.00 1.01 0.00 0.00 58.87 56.50 3jtz n SER 49 Cb 0.53 1.01 -0.10 0.00 -1.01 0.00 0.00 64.21 64.64 3jtz n SER 49 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3jtz s ARG 50 N -3.51 0.57 0.00 1.43 1.70 -1.26 -1.29 118.95 116.59 3jtz s ARG 50 Ca 0.20 -0.82 0.05 0.00 -0.47 0.00 0.00 55.73 54.70 3jtz s ARG 50 Cb 0.01 0.22 -0.02 0.00 -0.57 0.00 0.00 34.95 34.59 3jtz s ARG 50 CO 0.14 -0.13 -0.16 0.96 -1.08 0.00 0.00 175.30 175.02 3jtz s ILE 51 N -2.73 1.30 0.21 4.99 -4.36 0.03 -4.94 121.20 115.70 3jtz s ILE 51 Ca -0.04 -0.79 -0.30 0.00 -0.26 0.00 0.00 60.65 59.26 3jtz s ILE 51 Cb -0.00 -1.10 -0.08 0.00 1.25 0.00 0.00 42.46 42.52 3jtz s ILE 51 CO -0.05 0.30 1.18 0.00 0.24 0.00 0.00 174.94 176.60 3jtz s ALA 52 N -0.49 3.43 -0.68 2.27 0.00 -1.26 -0.78 121.76 124.25 3jtz s ALA 52 Ca 0.06 0.95 0.08 0.00 0.00 0.00 0.00 51.96 53.05 3jtz s ALA 52 Cb -0.07 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 3jtz s ALA 52 CO -0.00 -0.33 0.52 1.28 0.00 0.00 0.00 175.76 177.23 3jtz n LEU 53 N 2.12 0.94 0.00 0.00 4.77 0.39 -4.93 117.00 120.30 3jtz n LEU 53 Ca 0.03 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 3jtz n LEU 53 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3jtz n LEU 53 CO 0.55 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 3jtz n GLY 54 N 0.90 3.19 3.76 -0.72 0.00 -1.24 -4.91 105.19 106.16 3jtz n GLY 54 Ca 0.03 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 43.75 3jtz n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jtz s ALA 55 N -2.26 3.31 0.03 4.61 0.00 -1.26 -0.86 121.76 125.33 3jtz s ALA 55 Ca 0.00 0.62 -0.17 0.00 0.00 0.00 0.00 51.96 52.41 3jtz s ALA 55 Cb 0.00 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 19.84 3jtz s ALA 55 CO 0.00 0.17 0.48 -0.47 0.00 0.00 0.00 175.76 175.94 3jtz s TYR 56 N -1.28 3.76 -2.47 0.00 5.04 -0.18 -0.23 117.35 121.98 3jtz s TYR 56 Ca 0.43 1.12 0.23 0.00 -2.44 0.00 0.00 57.07 56.42 3jtz s TYR 56 Cb -0.25 -2.38 0.66 0.00 0.35 0.00 0.00 41.96 40.34 3jtz s TYR 56 CO 0.31 0.62 1.51 -0.35 -1.34 0.00 0.00 175.55 176.30 3jtz n PRO 57 N 1.76 1.98 -0.31 4.97 -0.04 -1.26 -4.57 135.00 137.53 3jtz n PRO 57 Ca -0.12 -1.46 0.07 0.00 -0.04 0.00 0.00 63.50 61.94 3jtz n PRO 57 Cb 0.52 -1.45 0.22 0.00 -0.04 0.00 0.00 33.50 32.75 3jtz n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jtz h ALA 58 N 4.31 1.32 -2.70 0.55 0.00 -1.90 -3.25 119.26 117.59 3jtz h ALA 58 Ca 0.00 0.06 -0.69 0.00 0.00 0.00 0.00 54.91 54.28 3jtz h ALA 58 Cb 0.68 -0.08 -0.20 0.00 0.00 0.00 0.00 17.79 18.19 3jtz h ALA 58 CO 0.00 0.00 -0.48 0.42 0.00 0.00 0.00 179.25 179.19 3jtz s ILE 59 N -5.97 5.11 0.87 0.00 -1.09 0.67 -5.04 121.20 115.74 3jtz s ILE 59 Ca -0.12 -0.40 -0.12 0.00 -2.23 0.00 0.00 60.65 57.78 3jtz s ILE 59 Cb 0.21 -3.69 0.11 0.00 -1.58 0.00 0.00 42.46 37.52 3jtz s ILE 59 CO 0.79 -0.08 1.13 -0.94 -1.23 0.00 0.00 174.94 174.61 3jtz s SER 60 N 1.68 3.90 0.21 3.58 1.04 -1.23 -4.21 113.70 118.67 3jtz s SER 60 Ca 0.05 1.04 -0.10 0.00 0.48 0.00 0.00 55.95 57.42 3jtz s SER 60 Cb -0.18 -1.65 0.23 0.00 0.10 0.00 0.00 66.02 64.52 3jtz s SER 60 CO 0.09 -2.31 1.81 0.25 0.98 0.00 0.00 173.24 174.06 3jtz h LEU 61 N -1.33 0.55 -0.58 2.42 5.85 -1.98 -0.56 115.31 119.68 3jtz h LEU 61 Ca -0.49 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 3jtz h LEU 61 Cb 1.31 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 3jtz h LEU 61 CO 0.62 0.36 0.34 0.28 -0.34 0.00 0.00 178.44 179.69 3jtz h SER 62 N 0.68 0.71 -0.35 1.25 0.02 -1.99 -1.11 113.55 112.75 3jtz h SER 62 Ca 0.29 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3jtz h SER 62 Cb 0.18 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3jtz h SER 62 CO -0.18 0.57 0.21 0.44 -1.14 0.00 0.00 176.83 176.74 3jtz h ASP 63 N 0.78 0.42 -0.98 3.07 3.32 -1.82 -2.11 116.42 119.10 3jtz h ASP 63 Ca 0.21 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3jtz h ASP 63 Cb 0.01 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.40 3jtz h ASP 63 CO -0.04 0.34 0.63 0.00 -1.72 0.00 0.00 179.24 178.46 3jtz h ALA 64 N 1.09 1.26 -0.82 3.45 0.00 -0.79 -0.47 119.26 122.98 3jtz h ALA 64 Ca 0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3jtz h ALA 64 Cb 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 17.79 17.36 3jtz h ALA 64 CO -0.02 0.66 0.40 0.00 0.00 0.00 0.00 179.25 180.29 3jtz h ARG 65 N 1.34 1.17 -0.44 0.00 3.08 -0.98 0.03 114.38 118.58 3jtz h ARG 65 Ca 0.36 -0.17 -0.14 0.00 0.07 0.00 0.00 59.98 60.10 3jtz h ARG 65 Cb -0.12 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.70 3jtz h ARG 65 CO -0.07 0.90 -0.27 1.96 -1.07 0.00 0.00 179.97 181.42 3jtz h GLN 66 N 1.16 0.95 -0.59 0.04 1.08 -0.68 0.19 115.11 117.25 3jtz h GLN 66 Ca 0.28 -0.43 0.02 0.00 -1.45 0.00 0.00 58.65 57.06 3jtz h GLN 66 Cb 0.11 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 3jtz h GLN 66 CO -0.04 1.10 0.38 1.96 -0.95 0.00 0.00 178.83 181.28 3jtz h GLN 67 N 0.81 0.75 -0.42 1.46 4.20 -0.81 -0.98 115.11 120.11 3jtz h GLN 67 Ca 0.09 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.78 3jtz h GLN 67 Cb 0.85 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.43 3jtz h GLN 67 CO 0.07 0.49 0.24 -0.09 -0.67 0.00 0.00 178.83 178.87 3jtz h ARG 68 N 0.77 0.46 -0.80 1.46 2.43 -0.60 -0.85 114.38 117.25 3jtz h ARG 68 Ca 0.23 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 3jtz h ARG 68 Cb -0.04 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.36 3jtz h ARG 68 CO -0.07 0.31 0.43 0.93 -1.51 0.00 0.00 179.97 180.06 3jtz h GLU 69 N 0.48 1.12 0.02 0.20 4.39 -0.37 0.72 114.58 121.14 3jtz h GLU 69 Ca 0.17 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 3jtz h GLU 69 Cb 0.03 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 3jtz h GLU 69 CO -0.09 0.83 -0.01 0.78 -1.16 0.00 0.00 179.01 179.36 3jtz h GLY 70 N 1.15 -0.03 0.92 -3.84 0.00 -0.83 -2.81 103.07 97.64 3jtz h GLY 70 Ca 0.28 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.65 3jtz h GLY 70 CO -0.04 -0.01 0.65 -2.22 0.00 0.00 0.00 176.54 174.92 3jtz h ILE 71 N -0.19 1.20 -0.44 2.60 2.04 -0.70 -1.78 117.51 120.23 3jtz h ILE 71 Ca -0.00 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 3jtz h ILE 71 Cb 0.18 -0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.04 3jtz h ILE 71 CO 0.00 0.24 0.23 0.03 0.00 0.00 0.00 178.15 178.65 3jtz h ARG 72 N 1.29 0.61 -0.20 2.37 3.08 -0.77 0.17 114.38 120.93 3jtz h ARG 72 Ca 0.39 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.26 3jtz h ARG 72 Cb -0.05 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 3jtz h ARG 72 CO -0.11 0.46 -0.36 0.87 -1.07 0.00 0.00 179.97 179.76 3jtz h LYS 73 N 0.62 0.43 -0.08 0.04 1.57 -1.07 -1.48 116.57 116.60 3jtz h LYS 73 Ca 0.16 -0.20 -0.19 0.00 -1.87 0.00 0.00 60.65 58.55 3jtz h LYS 73 Cb 0.03 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.35 3jtz h LYS 73 CO -0.02 0.74 -0.71 1.98 -0.57 0.00 0.00 179.45 180.86 3jtz h MET 74 N 0.37 0.61 -0.19 3.15 4.05 -0.83 -3.17 114.93 118.92 3jtz h MET 74 Ca 0.04 -0.56 -0.02 0.00 -0.28 0.00 0.00 59.70 58.88 3jtz h MET 74 Cb 0.81 0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.73 3jtz h MET 74 CO 0.07 1.18 0.03 -0.07 0.23 0.00 0.00 176.91 178.34 3jtz h LEU 75 N 0.25 0.24 -1.81 3.39 3.38 -0.59 -2.08 115.31 118.08 3jtz h LEU 75 Ca -0.07 -0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.02 3jtz h LEU 75 Cb 1.36 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 3jtz h LEU 75 CO 0.14 0.27 0.58 0.00 0.09 0.00 0.00 178.44 179.52 3jtz h ALA 76 N 1.77 2.22 -2.30 1.53 0.00 -1.24 -2.49 119.26 118.75 3jtz h ALA 76 Ca 0.07 -0.02 -0.77 0.00 0.00 0.00 0.00 54.91 54.19 3jtz h ALA 76 Cb 0.14 0.04 -0.24 0.00 0.00 0.00 0.00 17.79 17.73 3jtz h ALA 76 CO -0.00 -0.83 0.68 -0.51 0.00 0.00 0.00 179.25 178.59 3jtz s LEU 77 N -7.15 5.92 0.00 0.00 1.43 -0.78 -5.12 118.68 112.97 3jtz s LEU 77 Ca -0.04 -3.09 0.00 0.00 -1.03 0.00 0.00 54.13 49.97 3jtz s LEU 77 Cb 0.15 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 44.08 3jtz s LEU 77 CO 0.52 -0.55 0.34 -3.20 0.23 0.00 0.00 176.35 173.69