#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1joq s THR 2 N 0.00 3.84 -0.34 0.00 2.01 -1.26 -5.02 115.64 114.87 1joq s THR 2 Ca 0.00 -1.01 0.04 0.00 0.31 0.00 0.00 61.69 61.03 1joq s THR 2 Cb 0.00 -3.12 0.16 0.00 0.01 0.00 0.00 72.50 69.56 1joq s THR 2 CO 0.00 -0.10 0.44 -0.44 -0.69 0.00 0.00 174.62 173.83 1joq s SER 3 N 1.43 0.26 0.32 3.53 0.01 -1.26 -4.98 113.70 113.00 1joq s SER 3 Ca -0.00 -0.84 0.24 0.00 1.31 0.00 0.00 55.95 56.66 1joq s SER 3 Cb -0.19 1.10 0.42 0.00 0.21 0.00 0.00 66.02 67.56 1joq s SER 3 CO 0.03 -0.29 1.55 0.00 0.41 0.00 0.00 173.24 174.94 1joq h THR 4 N 5.59 0.00 -2.34 1.44 1.03 -2.07 -3.40 112.91 113.17 1joq h THR 4 Ca -0.02 -0.81 -0.70 0.00 -0.01 0.00 0.00 66.41 64.88 1joq h THR 4 Cb 1.11 1.71 -0.17 0.00 -1.07 0.00 0.00 68.15 69.72 1joq h THR 4 CO 0.21 0.00 0.93 -0.75 -0.01 0.00 0.00 175.52 175.91 1joq s LYS 5 N -3.20 3.68 0.39 0.00 2.20 -1.26 -5.01 119.74 116.54 1joq s LYS 5 Ca 0.07 -1.89 -0.08 0.00 -0.36 0.00 0.00 55.97 53.71 1joq s LYS 5 Cb 0.08 -4.95 -0.06 0.00 -1.51 0.00 0.00 37.83 31.40 1joq s LYS 5 CO 0.67 -1.78 0.72 0.21 -0.36 0.00 0.00 175.35 174.81 1joq s LYS 6 N 2.55 3.70 0.26 4.03 2.20 -1.26 -4.81 119.74 126.41 1joq s LYS 6 Ca 0.35 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 56.26 1joq s LYS 6 Cb -0.04 -2.45 0.00 0.00 -1.51 0.00 0.00 37.83 33.82 1joq s LYS 6 CO -0.08 0.00 0.00 1.28 -0.36 0.00 0.00 175.35 176.19 1joq n LEU 7 N -1.37 0.00 -3.17 5.43 4.77 -1.26 -4.12 117.00 117.27 1joq n LEU 7 Ca 0.01 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.04 1joq n LEU 7 Cb 0.54 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1joq n LEU 7 CO 0.49 0.00 0.50 -2.28 -1.33 0.00 0.00 177.39 174.76 1joq s HIS 8 N 0.00 -0.78 -0.23 -1.77 2.46 -1.26 -5.13 115.29 108.58 1joq s HIS 8 Ca 0.00 0.87 -0.19 0.00 0.47 0.00 0.00 55.06 56.20 1joq s HIS 8 Cb 0.00 0.29 -0.02 0.00 -0.13 0.00 0.00 32.58 32.71 1joq s HIS 8 CO 0.00 -0.42 0.58 0.15 -2.47 0.00 0.00 174.74 172.57 1joq s LYS 9 N 2.89 4.13 0.35 2.88 1.02 -1.26 -4.20 119.74 125.56 1joq s LYS 9 Ca 0.04 0.47 0.09 0.00 0.02 0.00 0.00 55.97 56.59 1joq s LYS 9 Cb -0.11 -3.62 -0.06 0.00 -0.52 0.00 0.00 37.83 33.52 1joq s LYS 9 CO -0.14 -0.31 -0.00 -1.21 -0.92 0.00 0.00 175.35 172.77 1joq s GLU 10 N 2.17 2.02 0.78 1.68 8.01 -0.74 -4.95 118.70 127.67 1joq s GLU 10 Ca 0.25 -1.83 -0.11 0.00 0.01 0.00 0.00 54.97 53.29 1joq s GLU 10 Cb -0.16 -1.86 0.07 0.00 -4.31 0.00 0.00 34.13 27.88 1joq s GLU 10 CO 0.09 0.10 1.14 -1.25 0.01 0.00 0.00 175.26 175.36 1joq s PRO 11 N -3.70 2.12 0.23 0.39 0.04 -1.26 0.05 135.00 132.86 1joq s PRO 11 Ca 0.35 0.11 -0.05 0.00 0.04 0.00 0.00 61.00 61.44 1joq s PRO 11 Cb 0.02 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.59 1joq s PRO 11 CO 0.19 -1.47 0.39 0.00 0.04 0.00 0.00 177.00 176.15 1joq n ALA 12 N -3.22 -0.65 -3.85 8.56 0.00 0.03 -4.42 120.51 116.96 1joq n ALA 12 Ca 0.08 -0.88 -0.26 0.00 0.00 0.00 0.00 53.44 52.39 1joq n ALA 12 Cb 0.60 0.70 -0.17 0.00 0.00 0.00 0.00 19.45 20.59 1joq n ALA 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1joq s THR 13 N -2.56 0.79 -0.68 0.00 2.01 -0.18 -4.74 115.64 110.28 1joq s THR 13 Ca 0.14 -0.18 -0.26 0.00 0.31 0.00 0.00 61.69 61.69 1joq s THR 13 Cb -0.02 -0.89 -0.09 0.00 0.01 0.00 0.00 72.50 71.51 1joq s THR 13 CO 0.10 0.29 2.32 -0.22 -0.69 0.00 0.00 174.62 176.41 1joq s LEU 14 N 1.80 3.12 -0.07 4.42 2.96 -1.26 -0.87 118.68 128.78 1joq s LEU 14 Ca 0.04 0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 54.32 1joq s LEU 14 Cb -0.13 -2.53 -0.00 0.00 0.50 0.00 0.00 46.19 44.03 1joq s LEU 14 CO -0.07 -3.29 -0.00 0.40 -1.32 0.00 0.00 176.35 172.07 1joq h ILE 15 N 7.58 0.00 -0.58 6.68 2.04 -1.51 -3.48 117.51 128.25 1joq h ILE 15 Ca -0.10 -0.75 0.16 0.00 1.00 0.00 0.00 64.86 65.18 1joq h ILE 15 Cb 1.11 0.00 -0.20 0.00 -0.74 0.00 0.00 36.82 36.99 1joq h ILE 15 CO 1.10 0.00 -0.08 -0.75 0.00 0.00 0.00 178.15 178.42 1joq s LYS 16 N -1.41 0.33 -0.02 2.37 2.20 -0.66 -5.01 119.74 117.53 1joq s LYS 16 Ca -0.00 0.47 -0.30 0.00 -0.36 0.00 0.00 55.97 55.78 1joq s LYS 16 Cb 0.00 0.25 -0.05 0.00 -1.51 0.00 0.00 37.83 36.52 1joq s LYS 16 CO 0.00 -0.46 1.30 0.00 -0.36 0.00 0.00 175.35 175.83 1joq s ALA 17 N 2.91 3.54 0.00 3.13 0.00 -1.26 -1.86 121.76 128.22 1joq s ALA 17 Ca 0.13 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.86 1joq s ALA 17 Cb -0.09 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1joq s ALA 17 CO -0.19 -0.82 0.00 -0.89 0.00 0.00 0.00 175.76 173.86 1joq n ILE 18 N 4.59 0.00 -4.07 0.00 5.41 -0.09 -4.91 119.36 120.30 1joq n ILE 18 Ca 0.12 0.36 -0.20 0.00 1.00 0.00 0.00 62.75 64.03 1joq n ILE 18 Cb 0.45 -1.21 -0.02 0.00 -0.71 0.00 0.00 39.64 38.15 1joq n ILE 18 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1joq n ASP 19 N -1.87 2.52 0.00 4.38 8.00 -0.21 -4.89 116.55 124.48 1joq n ASP 19 Ca 0.00 -2.39 0.09 0.00 0.71 0.00 0.00 54.79 53.20 1joq n ASP 19 Cb 0.00 0.08 0.44 0.00 -0.02 0.00 0.00 41.12 41.63 1joq n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1joq n GLY 20 N 0.61 -1.10 0.00 0.44 0.00 -1.19 -2.90 105.19 101.06 1joq n GLY 20 Ca -0.07 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 45.88 1joq n GLY 20 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1joq n ASP 21 N -1.43 2.07 -4.07 1.61 9.92 -1.26 -4.87 116.55 118.52 1joq n ASP 21 Ca 0.06 -0.30 -0.32 0.00 -0.53 0.00 0.00 54.79 53.70 1joq n ASP 21 Cb 0.21 1.03 -0.16 0.00 -0.64 0.00 0.00 41.12 41.56 1joq n ASP 21 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1joq s THR 22 N -1.56 2.00 -0.05 -3.53 2.01 -1.14 -1.96 115.64 111.40 1joq s THR 22 Ca 0.00 -1.20 0.00 0.00 0.31 0.00 0.00 61.69 60.81 1joq s THR 22 Cb 0.01 -1.97 0.02 0.00 0.01 0.00 0.00 72.50 70.58 1joq s THR 22 CO 0.06 0.26 -0.03 0.68 -0.69 0.00 0.00 174.62 174.90 1joq s VAL 23 N 1.25 0.46 -0.14 3.82 -7.23 -1.00 -0.91 120.40 116.65 1joq s VAL 23 Ca -0.01 -0.02 -0.27 0.00 -1.81 0.00 0.00 61.98 59.87 1joq s VAL 23 Cb -0.16 -0.54 -0.01 0.00 0.56 0.00 0.00 36.38 36.22 1joq s VAL 23 CO -0.09 0.23 0.89 -0.54 -0.31 0.00 0.00 175.10 175.29 1joq s LYS 24 N 1.32 4.35 0.26 4.82 1.02 -0.78 -1.80 119.74 128.93 1joq s LYS 24 Ca -0.05 1.15 0.01 0.00 0.02 0.00 0.00 55.97 57.11 1joq s LYS 24 Cb -0.13 -3.56 -0.05 0.00 -0.52 0.00 0.00 37.83 33.56 1joq s LYS 24 CO -0.02 -0.32 0.09 -0.51 -0.92 0.00 0.00 175.35 173.67 1joq s LEU 25 N 2.08 1.69 -0.07 3.17 1.43 -1.00 -1.29 118.68 124.69 1joq s LEU 25 Ca 0.42 -1.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.16 1joq s LEU 25 Cb -0.17 -0.01 -0.03 0.00 0.03 0.00 0.00 46.19 46.01 1joq s LEU 25 CO 0.14 -0.71 -0.09 -0.32 0.23 0.00 0.00 176.35 175.60 1joq s MET 26 N -4.02 2.75 -0.18 1.70 1.75 -0.05 -1.90 119.30 119.35 1joq s MET 26 Ca 0.37 -0.59 -0.01 0.00 -1.25 0.00 0.00 55.69 54.22 1joq s MET 26 Cb 0.08 -2.55 0.05 0.00 2.84 0.00 0.00 34.83 35.25 1joq s MET 26 CO 0.13 0.62 -0.04 -0.47 -0.65 0.00 0.00 175.02 174.61 1joq s TYR 27 N -0.69 1.76 -1.21 4.11 5.04 -0.43 -1.01 117.35 124.92 1joq s TYR 27 Ca 0.11 -1.19 -0.06 0.00 -2.44 0.00 0.00 57.07 53.49 1joq s TYR 27 Cb -0.11 -1.33 0.04 0.00 0.35 0.00 0.00 41.96 40.91 1joq s TYR 27 CO 0.01 -0.65 0.34 1.63 -1.34 0.00 0.00 175.55 175.54 1joq n LYS 28 N 4.86 -3.16 -1.94 4.97 5.02 -1.26 -0.32 118.16 126.32 1joq n LYS 28 Ca -0.12 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 1joq n LYS 28 Cb 0.47 -5.22 0.00 0.00 -0.02 0.00 0.00 35.03 30.26 1joq n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1joq n GLY 29 N -1.08 0.82 2.67 0.72 0.00 -1.26 -5.04 105.19 102.02 1joq n GLY 29 Ca -0.06 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 1joq n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1joq s GLN 30 N -3.94 0.74 -0.33 1.61 2.00 0.56 -5.09 119.66 115.21 1joq s GLN 30 Ca 0.00 -1.22 -0.29 0.00 -2.00 0.00 0.00 55.36 51.85 1joq s GLN 30 Cb 0.00 -1.87 -0.00 0.00 0.80 0.00 0.00 33.01 31.94 1joq s GLN 30 CO 0.00 -1.05 1.39 -1.25 -0.50 0.00 0.00 175.29 173.88 1joq s PRO 31 N 1.36 3.77 0.03 1.67 0.04 -1.26 -1.32 135.00 139.29 1joq s PRO 31 Ca 0.12 1.21 -0.08 0.00 0.04 0.00 0.00 61.00 62.28 1joq s PRO 31 Cb -0.19 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.39 1joq s PRO 31 CO -0.18 -1.31 0.17 1.41 0.04 0.00 0.00 177.00 177.12 1joq s MET 32 N 4.53 0.64 -0.29 4.56 1.75 -0.80 -4.98 119.30 124.71 1joq s MET 32 Ca 0.61 -0.62 -0.25 0.00 -1.25 0.00 0.00 55.69 54.17 1joq s MET 32 Cb -0.17 0.26 0.00 0.00 2.84 0.00 0.00 34.83 37.77 1joq s MET 32 CO 0.27 -0.18 0.88 -0.08 -0.65 0.00 0.00 175.02 175.27 1joq s THR 33 N -2.38 4.73 -0.18 10.11 -1.32 -1.26 -2.37 115.64 122.96 1joq s THR 33 Ca -0.07 1.47 -0.12 0.00 -1.21 0.00 0.00 61.69 61.77 1joq s THR 33 Cb -0.02 -4.22 -0.05 0.00 -1.51 0.00 0.00 72.50 66.70 1joq s THR 33 CO -0.03 -0.26 0.20 -0.36 -2.21 0.00 0.00 174.62 171.97 1joq s PHE 34 N 3.11 3.44 -0.05 9.09 0.08 -0.74 -1.54 117.98 131.37 1joq s PHE 34 Ca 0.37 0.46 -0.01 0.00 0.12 0.00 0.00 56.93 57.87 1joq s PHE 34 Cb -0.14 -2.23 -0.03 0.00 -0.57 0.00 0.00 43.02 40.04 1joq s PHE 34 CO 0.11 0.29 0.02 0.50 -0.10 0.00 0.00 175.22 176.04 1joq s ARG 35 N 0.34 2.94 0.24 0.44 6.06 -0.90 -2.38 118.95 125.69 1joq s ARG 35 Ca 0.12 -0.47 -0.30 0.00 -2.50 0.00 0.00 55.73 52.58 1joq s ARG 35 Cb -0.12 -2.77 -0.10 0.00 0.06 0.00 0.00 34.95 32.01 1joq s ARG 35 CO 0.01 0.67 1.48 -0.51 -2.50 0.00 0.00 175.30 174.46 1joq s LEU 36 N -1.21 4.38 0.37 -0.88 1.43 -0.83 -3.97 118.68 117.97 1joq s LEU 36 Ca 0.16 2.69 -0.05 0.00 -1.03 0.00 0.00 54.13 55.91 1joq s LEU 36 Cb -0.11 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.44 1joq s LEU 36 CO 0.06 -0.75 0.65 -0.76 0.23 0.00 0.00 176.35 175.78 1joq s LEU 37 N -0.10 3.90 -0.13 1.79 1.43 -1.26 -3.96 118.68 120.34 1joq s LEU 37 Ca 0.62 0.78 0.00 0.00 -1.03 0.00 0.00 54.13 54.50 1joq s LEU 37 Cb -0.43 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.14 1joq s LEU 37 CO 0.42 -0.35 0.00 0.18 0.23 0.00 0.00 176.35 176.82 1joq n LEU 38 N -1.53 0.70 -3.78 1.79 4.77 -1.25 -4.93 117.00 112.77 1joq n LEU 38 Ca -0.01 0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 1joq n LEU 38 Cb 0.55 -2.22 -0.12 0.00 -2.33 0.00 0.00 43.42 39.30 1joq n LEU 38 CO 0.49 -0.86 -0.11 0.68 -1.33 0.00 0.00 177.39 176.26 1joq s VAL 39 N -1.26 -0.01 -0.05 4.08 -7.23 -1.24 -2.29 120.40 112.40 1joq s VAL 39 Ca 0.00 0.03 0.02 0.00 -1.81 0.00 0.00 61.98 60.22 1joq s VAL 39 Cb 0.00 -0.33 0.01 0.00 0.56 0.00 0.00 36.38 36.62 1joq s VAL 39 CO 0.00 0.01 -0.11 -0.62 -0.31 0.00 0.00 175.10 174.07 1joq s ASP 40 N 0.34 1.57 0.63 4.85 -1.08 -0.60 -4.72 116.67 117.66 1joq s ASP 40 Ca -0.02 -0.26 -0.18 0.00 -0.52 0.00 0.00 52.55 51.57 1joq s ASP 40 Cb -0.03 -0.65 -0.02 0.00 -1.46 0.00 0.00 42.92 40.76 1joq s ASP 40 CO -0.01 0.04 1.26 0.28 0.52 0.00 0.00 175.17 177.25 1joq s THR 41 N 0.54 2.29 0.22 1.71 -1.32 -1.26 -2.56 115.64 115.27 1joq s THR 41 Ca -0.11 0.18 0.05 0.00 -1.21 0.00 0.00 61.69 60.60 1joq s THR 41 Cb -0.14 -3.07 -0.07 0.00 -1.51 0.00 0.00 72.50 67.72 1joq s THR 41 CO 0.02 -0.04 1.52 1.55 -2.21 0.00 0.00 174.62 175.47 1joq h PRO 42 N 0.68 0.20 0.00 7.08 0.13 -1.97 -3.47 132.00 134.64 1joq h PRO 42 Ca -0.51 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1joq h PRO 42 Cb 1.32 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1joq h PRO 42 CO 0.54 0.80 0.00 -1.91 -0.23 0.00 0.00 178.00 177.19 1joq n GLU 43 N -3.81 0.00 -2.66 0.86 2.13 -1.26 -5.09 120.64 110.81 1joq n GLU 43 Ca -0.02 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.77 1joq n GLU 43 Cb 0.66 0.00 0.09 0.00 0.27 0.00 0.00 31.44 32.47 1joq n GLU 43 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1joq n THR 44 N -0.00 0.00 0.00 6.31 -2.24 -1.26 -4.77 114.28 112.31 1joq n THR 44 Ca 0.00 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1joq n THR 44 Cb 0.00 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 1joq n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1joq n LYS 45 N 0.33 0.00 -2.17 -0.78 4.76 -1.26 -4.99 118.16 114.06 1joq n LYS 45 Ca -0.10 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 54.95 1joq n LYS 45 Cb 0.74 -0.23 -0.01 0.00 -1.84 0.00 0.00 35.03 33.69 1joq n LYS 45 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1joq s HIS 46 N -0.56 2.91 -1.46 2.13 3.76 -1.26 -4.91 115.29 115.91 1joq s HIS 46 Ca 0.00 1.49 -0.11 0.00 -0.15 0.00 0.00 55.06 56.28 1joq s HIS 46 Cb 0.00 -3.53 0.03 0.00 1.11 0.00 0.00 32.58 30.20 1joq s HIS 46 CO 0.00 -1.73 2.40 -0.35 -0.85 0.00 0.00 174.74 174.21 1joq n PRO 47 N 0.00 3.43 -2.03 8.40 -0.04 -1.26 -4.44 135.00 139.06 1joq n PRO 47 Ca 0.05 -2.75 -0.18 0.00 -0.04 0.00 0.00 63.50 60.58 1joq n PRO 47 Cb 0.45 -3.01 0.04 0.00 -0.04 0.00 0.00 33.50 30.94 1joq n PRO 47 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1joq n LYS 48 N 4.48 3.11 -1.46 0.54 4.76 -1.26 -4.89 118.16 123.44 1joq n LYS 48 Ca 0.59 -3.97 -0.07 0.00 -2.87 0.00 0.00 58.31 51.99 1joq n LYS 48 Cb 0.32 -2.09 -0.02 0.00 -1.84 0.00 0.00 35.03 31.40 1joq n LYS 48 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1joq n LYS 49 N -0.71 -0.52 -0.51 1.97 4.81 -1.26 -4.79 118.16 117.14 1joq n LYS 49 Ca 0.36 0.65 0.07 0.00 -0.87 0.00 0.00 58.31 58.51 1joq n LYS 49 Cb 0.92 -4.48 -0.02 0.00 0.02 0.00 0.00 35.03 31.48 1joq n LYS 49 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1joq n GLY 50 N -1.81 -1.45 3.76 3.14 0.00 -1.26 -4.02 105.19 103.55 1joq n GLY 50 Ca -0.08 -1.12 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 1joq n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1joq s VAL 51 N -0.84 4.51 0.52 1.61 1.01 -1.26 -4.69 120.40 121.25 1joq s VAL 51 Ca 0.00 1.71 0.38 0.00 0.00 0.00 0.00 61.98 64.07 1joq s VAL 51 Cb 0.00 -4.14 0.59 0.00 0.00 0.00 0.00 36.38 32.82 1joq s VAL 51 CO 0.00 0.45 1.70 -0.33 0.00 0.00 0.00 175.10 176.92 1joq h GLU 52 N 4.92 0.05 0.24 2.72 5.08 -1.93 0.20 114.58 125.85 1joq h GLU 52 Ca -0.46 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1joq h GLU 52 Cb 1.21 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1joq h GLU 52 CO 0.68 0.03 -0.26 0.87 -1.00 0.00 0.00 179.01 179.34 1joq h LYS 53 N 0.05 -0.48 -0.74 2.33 6.56 -1.96 -3.40 116.57 118.92 1joq h LYS 53 Ca 0.73 0.03 -0.33 0.00 -1.06 0.00 0.00 60.65 60.02 1joq h LYS 53 Cb 2.73 0.11 -0.24 0.00 -0.57 0.00 0.00 32.23 34.26 1joq h LYS 53 CO -0.10 -0.32 -0.72 0.66 -2.06 0.00 0.00 179.45 176.90 1joq n TYR 54 N -3.90 -1.81 0.05 -1.35 4.01 -0.35 -5.00 117.16 108.81 1joq n TYR 54 Ca -0.06 -2.72 -0.03 0.00 -0.16 0.00 0.00 57.90 54.93 1joq n TYR 54 Cb 0.23 0.88 -0.02 0.00 -0.31 0.00 0.00 39.34 40.12 1joq n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1joq h GLY 55 N 3.12 -0.22 -3.93 2.72 0.00 -0.89 -3.34 103.07 100.53 1joq h GLY 55 Ca -0.03 0.08 -0.22 0.00 0.00 0.00 0.00 47.33 47.16 1joq h GLY 55 CO 0.28 -0.08 -0.20 -1.55 0.00 0.00 0.00 176.54 174.99 1joq n PRO 56 N -4.23 1.92 0.00 4.80 -0.04 -1.26 -4.24 135.00 131.97 1joq n PRO 56 Ca -0.03 -1.09 -0.01 0.00 -0.04 0.00 0.00 63.50 62.34 1joq n PRO 56 Cb 0.08 -1.88 -0.00 0.00 -0.04 0.00 0.00 33.50 31.66 1joq n PRO 56 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1joq n GLU 57 N 2.06 0.04 0.08 0.54 -0.58 -1.25 -4.50 120.64 117.04 1joq n GLU 57 Ca 0.38 0.02 -0.14 0.00 -0.42 0.00 0.00 57.16 57.00 1joq n GLU 57 Cb 0.80 -0.33 -0.07 0.00 -0.57 0.00 0.00 31.44 31.27 1joq n GLU 57 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1joq h ALA 58 N -0.57 0.29 0.57 0.62 0.00 -1.81 -1.59 119.26 116.77 1joq h ALA 58 Ca 0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 54.91 54.11 1joq h ALA 58 Cb 0.08 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1joq h ALA 58 CO 0.00 0.89 -0.27 0.66 0.00 0.00 0.00 179.25 180.52 1joq h SER 59 N 0.16 -0.65 0.58 0.00 4.64 -1.87 -2.13 113.55 114.28 1joq h SER 59 Ca -0.09 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.18 1joq h SER 59 Cb 1.71 0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.96 1joq h SER 59 CO 0.17 -0.46 -0.29 0.00 -0.87 0.00 0.00 176.83 175.38 1joq h ALA 60 N -0.33 1.19 0.03 5.18 0.00 -1.79 -1.15 119.26 122.38 1joq h ALA 60 Ca -0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1joq h ALA 60 Cb 0.59 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1joq h ALA 60 CO 0.13 0.37 -0.01 0.35 0.00 0.00 0.00 179.25 180.08 1joq h PHE 61 N 0.00 -0.04 0.00 0.00 3.57 -0.77 -2.32 116.94 117.38 1joq h PHE 61 Ca -0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1joq h PHE 61 Cb 0.66 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 1joq h PHE 61 CO 0.00 -0.02 -0.13 1.15 -2.23 0.00 0.00 178.31 177.08 1joq h THR 62 N -0.04 0.72 0.10 4.41 2.02 -1.46 -1.93 112.91 116.72 1joq h THR 62 Ca -0.00 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 1joq h THR 62 Cb 0.03 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1joq h THR 62 CO 0.00 0.13 -0.13 0.50 0.37 0.00 0.00 175.52 176.40 1joq h LYS 63 N 0.00 -0.22 0.00 6.66 3.64 -0.98 -0.46 116.57 125.21 1joq h LYS 63 Ca -0.00 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1joq h LYS 63 Cb 0.31 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1joq h LYS 63 CO 0.02 -0.15 -0.13 -0.22 -2.27 0.00 0.00 179.45 176.70 1joq h LYS 64 N -0.23 0.00 0.00 1.90 1.63 -1.40 -1.86 116.57 116.61 1joq h LYS 64 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1joq h LYS 64 Cb 0.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1joq h LYS 64 CO -0.03 0.13 0.00 -0.12 -3.45 0.00 0.00 179.45 175.98 1joq n MET 65 N -3.44 0.00 0.08 1.90 1.56 -0.73 -0.91 117.12 115.57 1joq n MET 65 Ca -0.01 0.16 0.18 0.00 -0.27 0.00 0.00 57.70 57.76 1joq n MET 65 Cb 0.30 -1.04 0.71 0.00 2.15 0.00 0.00 33.22 35.33 1joq n MET 65 CO 0.00 0.00 0.00 -0.39 -0.73 0.00 0.00 175.97 174.85 1joq h VAL 66 N 0.00 0.72 -0.23 1.12 -1.51 -1.19 0.23 116.25 115.39 1joq h VAL 66 Ca 0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 66.70 65.37 1joq h VAL 66 Cb 0.00 0.79 -0.01 0.00 -2.13 0.00 0.00 31.29 29.93 1joq h VAL 66 CO 0.00 0.00 -0.29 -0.33 -1.23 0.00 0.00 177.57 175.72 1joq h GLU 67 N 0.00 0.45 -0.42 5.19 4.39 -1.34 -2.71 114.58 120.14 1joq h GLU 67 Ca 0.19 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1joq h GLU 67 Cb 0.78 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1joq h GLU 67 CO -0.00 0.70 0.00 0.09 -1.16 0.00 0.00 179.01 178.64 1joq n ASN 68 N -4.10 3.42 -4.79 1.42 4.13 0.27 -4.97 115.26 110.65 1joq n ASN 68 Ca -0.01 -1.96 -0.34 0.00 1.68 0.00 0.00 54.58 53.95 1joq n ASN 68 Cb 0.43 -0.27 -0.01 0.00 -1.54 0.00 0.00 39.78 38.39 1joq n ASN 68 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1joq s ALA 69 N -1.33 2.76 -0.20 5.41 0.00 0.57 -4.97 121.76 124.00 1joq s ALA 69 Ca 0.38 0.58 0.18 0.00 0.00 0.00 0.00 51.96 53.09 1joq s ALA 69 Cb 0.21 -3.28 -0.25 0.00 0.00 0.00 0.00 23.12 19.81 1joq s ALA 69 CO 0.29 -0.66 0.07 1.63 0.00 0.00 0.00 175.76 177.10 1joq n LYS 70 N -1.51 0.69 -3.78 0.00 4.76 -1.26 -4.91 118.16 112.15 1joq n LYS 70 Ca 0.10 -0.01 -0.22 0.00 -2.87 0.00 0.00 58.31 55.31 1joq n LYS 70 Cb 0.52 -1.52 -0.17 0.00 -1.84 0.00 0.00 35.03 32.02 1joq n LYS 70 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1joq s LYS 71 N -2.49 0.48 -0.22 1.97 -0.14 -1.26 -5.02 119.74 113.05 1joq s LYS 71 Ca -0.10 0.14 -0.04 0.00 -1.36 0.00 0.00 55.97 54.61 1joq s LYS 71 Cb 0.06 -0.85 -0.01 0.00 -1.68 0.00 0.00 37.83 35.35 1joq s LYS 71 CO 0.83 -0.29 -0.03 0.42 -0.76 0.00 0.00 175.35 175.52 1joq s ILE 72 N 1.89 3.49 -0.06 2.17 1.09 -1.26 -3.31 121.20 125.20 1joq s ILE 72 Ca 0.03 -0.45 0.03 0.00 -1.10 0.00 0.00 60.65 59.16 1joq s ILE 72 Cb -0.12 -2.59 0.01 0.00 -1.06 0.00 0.00 42.46 38.69 1joq s ILE 72 CO -0.04 0.42 -0.15 -1.61 -0.10 0.00 0.00 174.94 173.46 1joq s GLU 73 N 1.46 1.87 0.21 2.79 2.02 -0.97 -0.79 118.70 125.29 1joq s GLU 73 Ca 0.05 -0.51 -0.11 0.00 0.02 0.00 0.00 54.97 54.43 1joq s GLU 73 Cb -0.14 -1.53 -0.07 0.00 0.10 0.00 0.00 34.13 32.48 1joq s GLU 73 CO -0.02 0.09 0.55 0.14 0.02 0.00 0.00 175.26 176.03 1joq s VAL 74 N 0.50 4.92 -0.50 2.63 -7.23 0.11 -1.25 120.40 119.56 1joq s VAL 74 Ca -0.13 0.55 0.04 0.00 -1.81 0.00 0.00 61.98 60.63 1joq s VAL 74 Cb -0.15 -3.64 0.13 0.00 0.56 0.00 0.00 36.38 33.28 1joq s VAL 74 CO 0.04 0.00 0.26 -0.70 -0.31 0.00 0.00 175.10 174.40 1joq s GLU 75 N -2.62 1.81 0.38 4.82 2.12 0.22 -1.79 118.70 123.65 1joq s GLU 75 Ca 0.45 -2.49 -0.27 0.00 0.36 0.00 0.00 54.97 53.02 1joq s GLU 75 Cb -0.12 -3.07 -0.10 0.00 0.26 0.00 0.00 34.13 31.11 1joq s GLU 75 CO 0.21 -1.13 1.39 -0.06 -0.54 0.00 0.00 175.26 175.12 1joq s PHE 76 N -0.16 2.74 0.00 5.30 0.08 -1.26 -1.53 117.98 123.14 1joq s PHE 76 Ca 0.17 1.31 0.00 0.00 0.12 0.00 0.00 56.93 58.53 1joq s PHE 76 Cb -0.25 -3.83 0.00 0.00 -0.57 0.00 0.00 43.02 38.37 1joq s PHE 76 CO -0.00 -2.48 0.00 -3.47 -0.10 0.00 0.00 175.22 169.17 1joq n ASP 77 N 0.35 -0.19 0.03 1.36 -0.08 -1.26 -4.60 116.55 112.16 1joq n ASP 77 Ca 0.02 -0.67 0.11 0.00 -1.51 0.00 0.00 54.79 52.75 1joq n ASP 77 Cb 0.41 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.83 1joq n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1joq n LYS 78 N -0.85 0.46 0.00 -0.67 0.00 -1.26 -4.89 118.16 110.94 1joq n LYS 78 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 1joq n LYS 78 Cb 0.00 -1.63 0.00 0.00 -0.00 0.00 0.00 35.03 33.40 1joq n LYS 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1joq n GLY 79 N 1.30 1.00 3.61 2.58 0.00 -1.26 -5.02 105.19 107.40 1joq n GLY 79 Ca -0.00 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 1joq n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1joq s GLN 80 N 0.66 -0.35 0.00 1.61 -0.21 -1.26 -4.98 119.66 115.13 1joq s GLN 80 Ca 0.00 0.39 0.00 0.00 0.02 0.00 0.00 55.36 55.77 1joq s GLN 80 Cb 0.00 -1.66 0.00 0.00 1.00 0.00 0.00 33.01 32.35 1joq s GLN 80 CO 0.00 -3.23 0.48 0.54 -2.12 0.00 0.00 175.29 170.96 1joq n ARG 81 N -4.50 -0.11 -3.70 2.91 1.74 -1.26 -4.61 116.66 107.13 1joq n ARG 81 Ca 0.07 -0.57 -0.13 0.00 -0.77 0.00 0.00 57.85 56.45 1joq n ARG 81 Cb 0.58 -0.88 -0.07 0.00 -1.02 0.00 0.00 32.46 31.06 1joq n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1joq s THR 82 N -0.16 0.05 0.00 0.55 -4.23 -1.26 -1.80 115.64 108.79 1joq s THR 82 Ca 0.00 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.07 1joq s THR 82 Cb 0.00 -0.83 0.00 0.00 1.34 0.00 0.00 72.50 73.01 1joq s THR 82 CO 0.00 -0.24 0.00 -0.90 -0.54 0.00 0.00 174.62 172.94 1joq n ASP 83 N 0.86 0.00 0.22 3.99 5.75 -0.93 -4.90 116.55 121.54 1joq n ASP 83 Ca -0.20 -0.11 0.15 0.00 -0.01 0.00 0.00 54.79 54.62 1joq n ASP 83 Cb 0.58 0.00 0.48 0.00 -1.03 0.00 0.00 41.12 41.15 1joq n ASP 83 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 1joq h LYS 84 N 0.00 0.00 -0.16 0.11 2.10 -2.02 -2.71 116.57 113.88 1joq h LYS 84 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1joq h LYS 84 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1joq h LYS 84 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 1joq n TYR 85 N -2.90 0.19 -0.48 0.07 4.01 -1.26 -4.90 117.16 111.90 1joq n TYR 85 Ca 0.02 -0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1joq n TYR 85 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 1joq n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1joq n GLY 86 N 1.23 1.83 3.76 2.72 0.00 -1.02 -4.99 105.19 108.72 1joq n GLY 86 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1joq n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1joq n ARG 87 N -2.00 2.32 -2.98 1.61 1.74 -1.26 -4.66 116.66 111.42 1joq n ARG 87 Ca 0.00 0.82 -0.40 0.00 -0.77 0.00 0.00 57.85 57.50 1joq n ARG 87 Cb 0.00 -2.63 -0.04 0.00 -1.02 0.00 0.00 32.46 28.77 1joq n ARG 87 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1joq s GLY 88 N -0.41 2.62 -0.26 -0.13 0.00 -0.59 -2.19 107.32 106.36 1joq s GLY 88 Ca 0.60 0.18 -0.08 0.00 0.00 0.00 0.00 44.72 45.42 1joq s GLY 88 CO 0.59 1.30 0.11 1.08 0.00 0.00 0.00 173.10 176.18 1joq s LEU 89 N 0.96 3.63 -0.11 0.66 1.43 -0.75 -2.11 118.68 122.39 1joq s LEU 89 Ca 0.40 -0.14 -0.31 0.00 -1.03 0.00 0.00 54.13 53.05 1joq s LEU 89 Cb -0.18 -1.99 0.12 0.00 0.03 0.00 0.00 46.19 44.18 1joq s LEU 89 CO 0.19 -0.03 1.02 0.00 0.23 0.00 0.00 176.35 177.76 1joq s ALA 90 N 1.62 -1.93 -0.22 4.21 0.00 -1.25 -4.28 121.76 119.90 1joq s ALA 90 Ca 0.06 1.36 -0.28 0.00 0.00 0.00 0.00 51.96 53.10 1joq s ALA 90 Cb -0.15 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.87 1joq s ALA 90 CO 0.06 -0.54 0.99 0.71 0.00 0.00 0.00 175.76 176.98 1joq s TYR 91 N -2.32 3.35 0.17 0.00 2.02 -0.58 -4.44 117.35 115.55 1joq s TYR 91 Ca 0.05 1.41 -0.25 0.00 -0.37 0.00 0.00 57.07 57.90 1joq s TYR 91 Cb -0.01 -3.22 -0.08 0.00 -0.40 0.00 0.00 41.96 38.26 1joq s TYR 91 CO -0.05 -0.44 0.77 0.42 -1.57 0.00 0.00 175.55 174.68 1joq s ILE 92 N 3.04 4.38 -0.10 2.71 1.01 -1.26 -0.61 121.20 130.37 1joq s ILE 92 Ca 0.42 1.67 0.03 0.00 0.00 0.00 0.00 60.65 62.77 1joq s ILE 92 Cb -0.15 -4.11 0.01 0.00 0.01 0.00 0.00 42.46 38.21 1joq s ILE 92 CO 0.07 0.49 -0.19 -0.31 0.00 0.00 0.00 174.94 175.00 1joq s TYR 93 N -1.19 2.20 -0.08 3.97 1.51 -0.38 -1.17 117.35 122.20 1joq s TYR 93 Ca 0.36 -0.95 0.02 0.00 -1.01 0.00 0.00 57.07 55.50 1joq s TYR 93 Cb -0.22 -1.52 0.01 0.00 -0.11 0.00 0.00 41.96 40.12 1joq s TYR 93 CO 0.26 -0.43 -0.15 0.00 -1.11 0.00 0.00 175.55 174.12 1joq s ALA 94 N 0.62 1.50 -1.25 3.71 0.00 -0.73 -2.30 121.76 123.31 1joq s ALA 94 Ca -0.14 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1joq s ALA 94 Cb -0.16 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1joq s ALA 94 CO 0.04 0.10 0.00 -0.25 0.00 0.00 0.00 175.76 175.65 1joq n ASP 95 N 3.86 -5.25 0.00 0.00 9.92 -1.21 -1.14 116.55 122.73 1joq n ASP 95 Ca -0.21 0.29 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 1joq n ASP 95 Cb 0.52 -3.79 0.00 0.00 -0.64 0.00 0.00 41.12 37.21 1joq n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1joq n GLY 96 N -0.43 0.52 2.98 0.44 0.00 -1.26 -5.05 105.19 102.39 1joq n GLY 96 Ca -0.12 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 1joq n GLY 96 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1joq s LYS 97 N -2.74 1.56 -0.51 1.61 2.20 -0.29 -5.06 119.74 116.51 1joq s LYS 97 Ca 0.00 -0.33 -0.27 0.00 -0.36 0.00 0.00 55.97 55.00 1joq s LYS 97 Cb 0.00 -1.40 -0.09 0.00 -1.51 0.00 0.00 37.83 34.84 1joq s LYS 97 CO 0.00 -0.07 2.41 -0.12 -0.36 0.00 0.00 175.35 177.21 1joq n MET 98 N 4.16 1.04 -0.32 4.03 0.00 -1.26 -1.77 117.12 123.00 1joq n MET 98 Ca -0.20 0.08 0.18 0.00 -0.00 0.00 0.00 57.70 57.77 1joq n MET 98 Cb 0.51 -3.13 0.38 0.00 0.00 0.00 0.00 33.22 30.98 1joq n MET 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1joq h VAL 99 N 7.63 0.33 -0.51 1.12 2.07 -1.48 0.47 116.25 125.89 1joq h VAL 99 Ca -0.24 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.24 1joq h VAL 99 Cb 1.27 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1joq h VAL 99 CO 1.15 0.05 0.21 0.78 0.02 0.00 0.00 177.57 179.79 1joq h ASN 100 N 0.30 0.26 -0.09 0.57 4.21 -1.86 -0.69 115.58 118.27 1joq h ASN 100 Ca 0.64 0.05 -0.05 0.00 1.21 0.00 0.00 56.30 58.15 1joq h ASN 100 Cb 1.37 0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 38.57 1joq h ASN 100 CO -0.62 0.18 -0.07 -0.08 -1.29 0.00 0.00 177.43 175.55 1joq h GLU 101 N 0.42 0.36 -0.17 0.81 4.81 -0.46 -2.49 114.58 117.86 1joq h GLU 101 Ca 0.24 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1joq h GLU 101 Cb 0.22 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1joq h GLU 101 CO -0.21 0.45 0.08 0.00 -0.73 0.00 0.00 179.01 178.60 1joq h ALA 102 N 1.59 0.20 -0.53 2.92 0.00 -0.18 -0.86 119.26 122.40 1joq h ALA 102 Ca 0.07 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1joq h ALA 102 Cb 0.35 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1joq h ALA 102 CO 0.02 -0.35 0.25 -0.07 0.00 0.00 0.00 179.25 179.10 1joq h LEU 103 N 0.18 0.70 -1.73 0.00 3.38 -1.17 -1.95 115.31 114.73 1joq h LEU 103 Ca 0.07 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1joq h LEU 103 Cb 0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1joq h LEU 103 CO -0.05 0.64 0.23 0.58 0.09 0.00 0.00 178.44 179.93 1joq h VAL 104 N 0.71 1.03 -0.40 1.22 2.07 -1.04 -0.35 116.25 119.48 1joq h VAL 104 Ca 0.18 -0.12 -0.13 0.00 0.82 0.00 0.00 66.70 67.45 1joq h VAL 104 Cb 0.13 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1joq h VAL 104 CO -0.02 0.07 -0.27 -0.09 0.02 0.00 0.00 177.57 177.28 1joq h ARG 105 N 0.36 0.85 -0.58 1.57 1.12 -0.40 -2.38 114.38 114.91 1joq h ARG 105 Ca 0.14 -0.37 0.00 0.00 -1.11 0.00 0.00 59.98 58.63 1joq h ARG 105 Cb 0.10 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.03 1joq h ARG 105 CO -0.03 1.01 0.00 0.94 -3.11 0.00 0.00 179.97 178.78 1joq n GLN 106 N -4.09 2.55 -3.68 0.20 -0.06 -0.47 -4.87 117.38 106.95 1joq n GLN 106 Ca -0.00 -1.65 -0.30 0.00 -2.00 0.00 0.00 57.00 53.05 1joq n GLN 106 Cb 0.47 -1.61 0.04 0.00 -4.06 0.00 0.00 30.24 25.08 1joq n GLN 106 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1joq n GLY 107 N 0.80 -1.03 0.00 1.69 0.00 -0.27 -4.52 105.19 101.86 1joq n GLY 107 Ca 0.15 0.46 -0.00 0.00 0.00 0.00 0.00 46.02 46.63 1joq n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1joq n LEU 108 N -3.98 0.00 -4.46 0.99 4.77 -0.50 -3.75 117.00 110.07 1joq n LEU 108 Ca -0.11 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.56 1joq n LEU 108 Cb 0.59 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.55 1joq n LEU 108 CO 0.67 0.00 -0.48 0.00 -1.33 0.00 0.00 177.39 176.25 1joq s ALA 109 N -2.01 2.61 -0.21 -1.18 0.00 -1.26 -4.36 121.76 115.35 1joq s ALA 109 Ca -0.00 -1.08 -0.08 0.00 0.00 0.00 0.00 51.96 50.80 1joq s ALA 109 Cb 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 1joq s ALA 109 CO 0.01 0.56 0.09 0.15 0.00 0.00 0.00 175.76 176.57 1joq s LYS 110 N -1.04 3.94 0.20 0.00 1.02 -1.06 -4.69 119.74 118.12 1joq s LYS 110 Ca 0.13 -0.35 -0.32 0.00 0.02 0.00 0.00 55.97 55.45 1joq s LYS 110 Cb -0.11 -3.33 -0.13 0.00 -0.52 0.00 0.00 37.83 33.74 1joq s LYS 110 CO 0.03 0.12 1.50 0.28 -0.92 0.00 0.00 175.35 176.36 1joq n VAL 111 N 4.03 0.49 -3.93 3.17 0.31 -1.26 -1.56 118.33 119.58 1joq n VAL 111 Ca -0.16 -0.12 -0.01 0.00 -0.01 0.00 0.00 64.34 64.04 1joq n VAL 111 Cb 0.52 -1.54 0.02 0.00 -0.91 0.00 0.00 33.84 31.93 1joq n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1joq n ALA 112 N 2.66 -2.94 -2.74 3.52 0.00 -0.97 -4.85 120.51 115.19 1joq n ALA 112 Ca 0.14 -0.92 -0.07 0.00 0.00 0.00 0.00 53.44 52.59 1joq n ALA 112 Cb 0.30 0.40 0.01 0.00 0.00 0.00 0.00 19.45 20.17 1joq n ALA 112 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1joq n TYR 113 N -0.77 -3.20 -3.68 0.00 4.01 -1.26 -3.71 117.16 108.55 1joq n TYR 113 Ca 0.00 1.29 -0.37 0.00 -0.16 0.00 0.00 57.90 58.66 1joq n TYR 113 Cb 0.56 -3.88 -0.09 0.00 -0.31 0.00 0.00 39.34 35.63 1joq n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1joq s VAL 114 N -2.48 3.96 -0.48 -0.72 1.01 -1.26 -4.22 120.40 116.20 1joq s VAL 114 Ca 0.23 -3.05 0.00 0.00 0.00 0.00 0.00 61.98 59.16 1joq s VAL 114 Cb -0.06 -3.55 0.13 0.00 0.00 0.00 0.00 36.38 32.90 1joq s VAL 114 CO 0.70 -0.92 0.25 -0.31 0.00 0.00 0.00 175.10 174.82 1joq s TYR 115 N -0.23 3.48 0.79 5.22 2.02 -1.26 -5.06 117.35 122.31 1joq s TYR 115 Ca 0.18 -2.82 -0.12 0.00 -0.37 0.00 0.00 57.07 53.94 1joq s TYR 115 Cb -0.18 -3.05 0.07 0.00 -0.40 0.00 0.00 41.96 38.41 1joq s TYR 115 CO -0.05 -0.87 1.14 -1.59 -1.57 0.00 0.00 175.55 172.61 1joq s LYS 116 N 0.39 1.88 -0.01 -0.62 0.00 -1.26 -0.57 119.74 119.55 1joq s LYS 116 Ca 0.13 1.48 0.01 0.00 0.00 0.00 0.00 55.97 57.59 1joq s LYS 116 Cb -0.22 -1.83 0.03 0.00 0.00 0.00 0.00 37.83 35.81 1joq s LYS 116 CO -0.04 -1.97 0.81 -0.35 0.00 0.00 0.00 175.35 173.80 1joq n PRO 117 N -3.41 1.13 -2.09 1.78 -0.04 -1.26 -4.97 135.00 126.13 1joq n PRO 117 Ca 0.11 -0.13 -0.42 0.00 -0.04 0.00 0.00 63.50 63.02 1joq n PRO 117 Cb 0.52 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 1joq n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1joq n ASN 118 N -0.20 4.38 -0.76 3.54 3.02 0.26 -4.03 115.26 121.47 1joq n ASN 118 Ca 0.01 -2.91 -0.04 0.00 -0.03 0.00 0.00 54.58 51.61 1joq n ASN 118 Cb 0.15 -1.65 -0.04 0.00 -0.61 0.00 0.00 39.78 37.64 1joq n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1joq n ASN 119 N 6.25 -0.56 -0.26 6.41 0.23 -1.26 -4.13 115.26 121.95 1joq n ASN 119 Ca 0.49 -1.42 0.01 0.00 -0.53 0.00 0.00 54.58 53.13 1joq n ASN 119 Cb 0.40 0.17 0.08 0.00 -2.08 0.00 0.00 39.78 38.36 1joq n ASN 119 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1joq h THR 120 N 4.28 0.26 -1.14 5.53 2.02 -1.98 0.10 112.91 121.98 1joq h THR 120 Ca -0.32 0.00 -0.52 0.00 0.77 0.00 0.00 66.41 66.33 1joq h THR 120 Cb 1.13 0.26 -0.18 0.00 -1.74 0.00 0.00 68.15 67.62 1joq h THR 120 CO -0.16 0.00 0.47 1.41 0.37 0.00 0.00 175.52 177.61 1joq n HIS 121 N -5.49 1.71 -0.07 3.16 8.25 -1.26 -4.46 115.22 117.05 1joq n HIS 121 Ca 0.10 -1.98 -0.20 0.00 -0.26 0.00 0.00 57.72 55.38 1joq n HIS 121 Cb 0.38 -1.37 -0.12 0.00 1.12 0.00 0.00 29.99 29.99 1joq n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1joq h GLU 122 N 3.03 0.05 -0.27 -0.41 4.22 -1.19 -3.08 114.58 116.92 1joq h GLU 122 Ca 0.41 -0.08 -0.06 0.00 0.08 0.00 0.00 59.36 59.71 1joq h GLU 122 Cb 0.66 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1joq h GLU 122 CO 0.93 1.04 -0.09 1.96 -2.18 0.00 0.00 179.01 180.67 1joq h GLN 123 N -0.85 0.44 0.69 1.92 4.20 -1.81 -0.48 115.11 119.20 1joq h GLN 123 Ca -0.26 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.30 1joq h GLN 123 Cb 1.33 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 29.06 1joq h GLN 123 CO -0.11 0.53 -0.33 1.25 -0.67 0.00 0.00 178.83 179.51 1joq h LEU 124 N 0.41 -0.78 -1.74 1.46 7.12 -1.87 -2.06 115.31 117.85 1joq h LEU 124 Ca 0.08 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.10 1joq h LEU 124 Cb 0.41 0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.74 1joq h LEU 124 CO 0.02 -0.41 0.00 -0.07 -0.13 0.00 0.00 178.44 177.85 1joq h LEU 125 N -1.19 0.00 0.14 2.25 3.38 -1.48 -2.64 115.31 115.77 1joq h LEU 125 Ca -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1joq h LEU 125 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1joq h LEU 125 CO 0.15 0.00 -0.07 0.03 0.09 0.00 0.00 178.44 178.65 1joq h ARG 126 N 0.00 -0.18 -0.57 1.13 3.08 -0.77 -2.32 114.38 114.75 1joq h ARG 126 Ca 0.00 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.08 1joq h ARG 126 Cb 0.16 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1joq h ARG 126 CO 0.00 0.27 0.36 -0.22 -1.07 0.00 0.00 179.97 179.30 1joq h LYS 127 N -0.89 0.70 -0.83 0.04 1.63 -1.17 -1.72 116.57 114.33 1joq h LYS 127 Ca -0.02 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1joq h LYS 127 Cb 0.52 -0.16 -0.04 0.00 -0.60 0.00 0.00 32.23 31.95 1joq h LYS 127 CO 0.03 0.46 0.55 0.77 -3.45 0.00 0.00 179.45 177.81 1joq h SER 128 N 0.72 0.91 -0.09 4.20 0.02 -1.56 -2.17 113.55 115.58 1joq h SER 128 Ca 0.22 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1joq h SER 128 Cb -0.03 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.29 1joq h SER 128 CO -0.07 0.64 0.01 -0.08 -1.14 0.00 0.00 176.83 176.19 1joq h GLU 129 N 1.07 0.15 -0.97 3.45 4.81 -0.75 -2.15 114.58 120.18 1joq h GLU 129 Ca 0.32 -0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.63 1joq h GLU 129 Cb -0.03 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.25 1joq h GLU 129 CO -0.08 0.36 0.62 0.00 -0.73 0.00 0.00 179.01 179.18 1joq h ALA 130 N 0.78 1.58 -0.66 2.92 0.00 -0.93 -0.16 119.26 122.78 1joq h ALA 130 Ca 0.03 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1joq h ALA 130 Cb 0.29 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1joq h ALA 130 CO 0.00 0.18 0.13 0.37 0.00 0.00 0.00 179.25 179.93 1joq h GLN 131 N 0.94 1.09 -0.10 0.00 5.75 -1.16 -2.06 115.11 119.57 1joq h GLN 131 Ca 0.47 -0.28 -0.02 0.00 -0.15 0.00 0.00 58.65 58.67 1joq h GLN 131 Cb 0.50 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 1joq h GLN 131 CO -0.24 0.99 -0.02 0.00 -2.65 0.00 0.00 178.83 176.91 1joq h ALA 132 N 1.05 1.78 -0.13 3.38 0.00 -0.39 -1.50 119.26 123.45 1joq h ALA 132 Ca 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1joq h ALA 132 Cb 0.42 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1joq h ALA 132 CO 0.01 0.17 -0.03 -0.22 0.00 0.00 0.00 179.25 179.18 1joq h LYS 133 N 0.14 0.25 0.00 0.00 3.64 -0.65 -0.20 116.57 119.76 1joq h LYS 133 Ca 0.03 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1joq h LYS 133 Cb 0.14 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1joq h LYS 133 CO 0.00 0.54 0.00 0.87 -2.27 0.00 0.00 179.45 178.59 1joq h LYS 134 N -0.05 0.00 -0.01 1.90 1.57 -1.12 -1.34 116.57 117.52 1joq h LYS 134 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1joq h LYS 134 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1joq h LYS 134 CO 0.01 0.00 -0.51 0.39 -0.57 0.00 0.00 179.45 178.77 1joq n GLU 135 N -2.86 0.72 -3.70 3.15 1.02 -0.61 -4.99 120.64 113.37 1joq n GLU 135 Ca -0.00 -0.53 -0.28 0.00 -0.02 0.00 0.00 57.16 56.32 1joq n GLU 135 Cb 0.21 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.16 1joq n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1joq n LYS 136 N -0.68 -1.13 -3.01 3.49 5.02 -0.13 -4.86 118.16 116.86 1joq n LYS 136 Ca 0.09 0.61 -0.44 0.00 -2.02 0.00 0.00 58.31 56.55 1joq n LYS 136 Cb 0.39 -3.50 -0.05 0.00 -0.02 0.00 0.00 35.03 31.86 1joq n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1joq s LEU 137 N -5.88 4.78 0.00 -0.35 2.01 -1.16 -4.49 118.68 113.59 1joq s LEU 137 Ca 0.28 -0.99 0.00 0.00 0.01 0.00 0.00 54.13 53.42 1joq s LEU 137 Cb -0.12 -2.46 0.00 0.00 0.01 0.00 0.00 46.19 43.63 1joq s LEU 137 CO 0.88 -1.17 0.00 0.59 1.01 0.00 0.00 176.35 177.66 1joq n ASN 138 N 6.87 0.00 -0.32 2.29 3.02 -1.26 -2.99 115.26 122.86 1joq n ASN 138 Ca -0.05 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.59 1joq n ASN 138 Cb 0.45 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.81 1joq n ASN 138 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1joq n ILE 139 N 0.00 -0.39 -0.95 2.41 5.41 -1.25 0.10 119.36 124.71 1joq n ILE 139 Ca 0.00 2.06 -0.13 0.00 1.00 0.00 0.00 62.75 65.68 1joq n ILE 139 Cb 0.00 -2.92 -0.05 0.00 -0.71 0.00 0.00 39.64 35.95 1joq n ILE 139 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 1joq n TRP 140 N -5.43 0.70 -3.94 1.39 7.02 -1.16 -4.87 117.44 111.16 1joq n TRP 140 Ca 0.18 -1.57 -0.35 0.00 -1.02 0.00 0.00 57.50 54.74 1joq n TRP 140 Cb 0.57 -1.11 -0.10 0.00 -2.42 0.00 0.00 31.31 28.26 1joq n TRP 140 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1joq s SER 141 N 1.22 5.69 1.03 -0.99 0.15 0.29 -3.96 113.70 117.12 1joq s SER 141 Ca 0.39 0.08 -0.02 0.00 0.70 0.00 0.00 55.95 57.09 1joq s SER 141 Cb 0.23 -1.98 0.04 0.00 -1.71 0.00 0.00 66.02 62.59 1joq s SER 141 CO -0.05 0.15 0.13 -1.84 1.20 0.00 0.00 173.24 172.83 1joq n GLU 142 N 3.68 -1.29 -0.00 5.44 0.28 -1.26 -4.97 120.64 122.52 1joq n GLU 142 Ca -0.16 -0.21 0.08 0.00 -0.16 0.00 0.00 57.16 56.71 1joq n GLU 142 Cb 0.52 -0.19 -0.10 0.00 1.43 0.00 0.00 31.44 33.10 1joq n GLU 142 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1joq n ASP 143 N -3.22 0.90 -2.92 -1.84 2.03 -1.26 -5.06 116.55 105.18 1joq n ASP 143 Ca 0.02 -0.62 -0.02 0.00 0.52 0.00 0.00 54.79 54.69 1joq n ASP 143 Cb 0.07 1.21 -0.01 0.00 -0.72 0.00 0.00 41.12 41.66 1joq n ASP 143 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1joq n ASN 144 N -1.56 -5.56 -4.12 1.67 2.85 -1.26 -4.93 115.26 102.35 1joq n ASN 144 Ca 0.01 1.02 -0.35 0.00 -0.11 0.00 0.00 54.58 55.16 1joq n ASN 144 Cb 0.29 -3.18 -0.13 0.00 1.24 0.00 0.00 39.78 38.00 1joq n ASN 144 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1joq s ALA 145 N -0.69 2.97 -0.04 5.20 0.00 -1.26 -4.88 121.76 123.06 1joq s ALA 145 Ca -0.08 -2.25 0.04 0.00 0.00 0.00 0.00 51.96 49.68 1joq s ALA 145 Cb 0.01 -2.14 -0.06 0.00 0.00 0.00 0.00 23.12 20.92 1joq s ALA 145 CO 0.34 -1.58 0.03 -0.25 0.00 0.00 0.00 175.76 174.31 1joq n ASP 146 N 4.53 3.86 0.00 0.00 8.00 -1.26 -4.94 116.55 126.74 1joq n ASP 146 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1joq n ASP 146 Cb 0.42 0.72 0.00 0.00 -0.02 0.00 0.00 41.12 42.24 1joq n ASP 146 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1joq n SER 147 N -2.09 0.00 0.00 -2.24 2.88 -1.26 -5.13 113.62 105.78 1joq n SER 147 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1joq n SER 147 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1joq n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1joq n GLY 148 N 0.00 -3.00 0.00 0.46 0.00 -1.26 -5.31 105.19 96.07 1joq n GLY 148 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1joq n GLY 148 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14