#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 1.90 0.00 0.00 2.01 -1.26 -5.14 115.64 113.15 1joq s THR 2 Ca 0.00 -1.68 0.00 0.00 0.31 0.00 0.00 61.69 60.32 1joq s THR 2 Cb 0.00 -1.74 0.00 0.00 0.01 0.00 0.00 72.50 70.77 1joq s THR 2 CO 0.00 -0.06 0.00 -1.20 -0.69 0.00 0.00 174.62 172.67 1joq n SER 3 N 0.89 0.00 -2.79 3.53 7.64 -1.26 -5.01 113.62 116.62 1joq n SER 3 Ca -0.18 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.69 1joq n SER 3 Cb 0.54 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.73 1joq n SER 3 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1joq n THR 4 N 0.00-10.19 -2.62 0.44 -1.04 -1.26 -4.97 114.28 94.65 1joq n THR 4 Ca 0.00 1.75 -0.11 0.00 -2.04 0.00 0.00 64.05 63.65 1joq n THR 4 Cb 0.00 -6.06 0.03 0.00 -1.82 0.00 0.00 70.33 62.48 1joq n THR 4 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1joq n LYS 5 N 1.08 1.90 0.00 -2.82 4.01 -1.26 -4.83 118.16 116.23 1joq n LYS 5 Ca -0.08 -3.61 0.00 0.00 -0.51 0.00 0.00 58.31 54.11 1joq n LYS 5 Cb 0.20 -1.60 0.00 0.00 -0.51 0.00 0.00 35.03 33.12 1joq n LYS 5 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1joq n LYS 6 N -0.34 0.00 -1.33 1.97 3.00 -1.26 -5.15 118.16 115.05 1joq n LYS 6 Ca 0.16 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.55 1joq n LYS 6 Cb 0.80 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.79 1joq n LYS 6 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1joq n LEU 7 N 0.00 -1.21 -3.95 3.14 4.77 -1.26 -4.99 117.00 113.50 1joq n LEU 7 Ca 0.00 2.34 -0.13 0.00 -0.03 0.00 0.00 56.01 58.19 1joq n LEU 7 Cb 0.00 -2.67 -0.13 0.00 -2.33 0.00 0.00 43.42 38.28 1joq n LEU 7 CO 0.00 -1.29 -0.38 -2.28 -1.33 0.00 0.00 177.39 172.10 1joq s HIS 8 N -4.73 0.33 -0.13 -1.77 5.65 -1.26 -5.14 115.29 108.25 1joq s HIS 8 Ca 0.00 -0.21 -0.10 0.00 0.25 0.00 0.00 55.06 55.01 1joq s HIS 8 Cb 0.00 -0.21 -0.05 0.00 -1.18 0.00 0.00 32.58 31.14 1joq s HIS 8 CO 0.00 -0.05 0.20 0.15 -0.65 0.00 0.00 174.74 174.39 1joq s LYS 9 N -0.57 3.79 0.25 2.88 1.02 -1.26 -4.51 119.74 121.35 1joq s LYS 9 Ca -0.04 -0.04 0.11 0.00 0.02 0.00 0.00 55.97 56.03 1joq s LYS 9 Cb -0.04 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 33.94 1joq s LYS 9 CO -0.00 0.58 -0.18 -1.21 -0.92 0.00 0.00 175.35 173.62 1joq s GLU 10 N -0.51 1.74 0.62 1.68 8.01 -1.01 -4.92 118.70 124.31 1joq s GLU 10 Ca 0.15 -1.65 -0.13 0.00 0.01 0.00 0.00 54.97 53.36 1joq s GLU 10 Cb -0.13 -1.85 -0.03 0.00 -4.31 0.00 0.00 34.13 27.81 1joq s GLU 10 CO 0.04 0.36 1.04 -1.25 0.01 0.00 0.00 175.26 175.45 1joq s PRO 11 N -3.31 3.40 0.00 0.39 0.04 -1.26 -1.34 135.00 132.92 1joq s PRO 11 Ca 0.28 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1joq s PRO 11 Cb -0.06 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1joq s PRO 11 CO 0.14 -0.73 0.00 0.00 0.04 0.00 0.00 177.00 176.46 1joq n ALA 12 N -2.57 0.00 -3.63 8.56 0.00 -0.57 -4.80 120.51 117.51 1joq n ALA 12 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.22 1joq n ALA 12 Cb 0.54 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.87 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 -2.28 1.14 -0.71 0.00 2.01 -0.75 -4.78 115.64 110.26 1joq s THR 13 Ca 0.00 -2.62 -0.29 0.00 0.31 0.00 0.00 61.69 59.09 1joq s THR 13 Cb 0.00 -1.79 -0.14 0.00 0.01 0.00 0.00 72.50 70.58 1joq s THR 13 CO 0.00 -0.99 2.53 -0.11 -0.69 0.00 0.00 174.62 175.36 1joq n LEU 14 N 3.31 1.39 -0.00 4.42 7.94 -1.26 -1.38 117.00 131.43 1joq n LEU 14 Ca 0.15 -0.16 -0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1joq n LEU 14 Cb 0.38 -1.27 -0.00 0.00 0.53 0.00 0.00 43.42 43.06 1joq n LEU 14 CO 0.20 -1.15 -0.00 0.40 -1.11 0.00 0.00 177.39 175.72 1joq h ILE 15 N 7.81 0.00 -2.13 1.96 2.04 -1.34 -3.48 117.51 122.37 1joq h ILE 15 Ca -0.16 -0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.64 1joq h ILE 15 Cb 1.29 0.00 -0.26 0.00 -0.74 0.00 0.00 36.82 37.11 1joq h ILE 15 CO 1.26 0.00 -0.35 -0.75 0.00 0.00 0.00 178.15 178.30 1joq s LYS 16 N -1.00 0.39 0.90 2.37 2.20 -0.81 -5.02 119.74 118.77 1joq s LYS 16 Ca -0.00 0.97 -0.10 0.00 -0.36 0.00 0.00 55.97 56.47 1joq s LYS 16 Cb 0.00 0.23 0.13 0.00 -1.51 0.00 0.00 37.83 36.69 1joq s LYS 16 CO 0.00 -0.38 1.12 0.00 -0.36 0.00 0.00 175.35 175.73 1joq s ALA 17 N 2.66 1.53 0.02 3.13 0.00 -1.26 -2.20 121.76 125.64 1joq s ALA 17 Ca 0.04 0.41 -0.01 0.00 0.00 0.00 0.00 51.96 52.39 1joq s ALA 17 Cb -0.13 -3.37 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 1joq s ALA 17 CO -0.15 -2.56 -0.01 -0.89 0.00 0.00 0.00 175.76 172.14 1joq n ILE 18 N -4.08 0.44 -3.51 0.00 5.41 -0.65 -4.77 119.36 112.20 1joq n ILE 18 Ca 0.10 0.17 0.00 0.00 1.00 0.00 0.00 62.75 64.02 1joq n ILE 18 Cb 0.53 -1.27 0.00 0.00 -0.71 0.00 0.00 39.64 38.18 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 -2.88 1.91 -0.11 4.38 9.92 -0.86 -4.98 116.55 123.93 1joq n ASP 19 Ca -0.01 -0.56 0.15 0.00 -0.53 0.00 0.00 54.79 53.85 1joq n ASP 19 Cb 0.02 0.00 0.80 0.00 -0.64 0.00 0.00 41.12 41.30 1joq n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1joq n GLY 20 N 5.00 -0.83 0.00 0.44 0.00 -1.26 -3.62 105.19 104.91 1joq n GLY 20 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.80 0.27 -3.94 1.61 9.92 -1.26 -4.77 116.55 117.57 1joq n ASP 21 Ca 0.21 -1.10 -0.15 0.00 -0.53 0.00 0.00 54.79 53.22 1joq n ASP 21 Cb 0.20 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.53 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 -0.10 0.33 0.01 -3.53 2.01 -1.24 -1.82 115.64 111.30 1joq s THR 22 Ca 0.00 -0.22 -0.11 0.00 0.31 0.00 0.00 61.69 61.67 1joq s THR 22 Cb 0.00 -0.29 0.01 0.00 0.01 0.00 0.00 72.50 72.23 1joq s THR 22 CO 0.00 0.07 0.23 0.68 -0.69 0.00 0.00 174.62 174.91 1joq s VAL 23 N -0.16 0.08 -0.33 3.82 -7.23 -0.96 -1.64 120.40 113.99 1joq s VAL 23 Ca 0.01 -0.64 -0.10 0.00 -1.81 0.00 0.00 61.98 59.44 1joq s VAL 23 Cb -0.02 -0.64 0.00 0.00 0.56 0.00 0.00 36.38 36.29 1joq s VAL 23 CO -0.00 -0.35 0.16 -0.54 -0.31 0.00 0.00 175.10 174.05 1joq s LYS 24 N -1.68 3.16 0.24 4.82 1.02 -0.93 -1.72 119.74 124.65 1joq s LYS 24 Ca -0.12 -0.84 0.04 0.00 0.02 0.00 0.00 55.97 55.08 1joq s LYS 24 Cb -0.05 -3.59 -0.05 0.00 -0.52 0.00 0.00 37.83 33.62 1joq s LYS 24 CO 0.01 -0.50 -0.02 -0.51 -0.92 0.00 0.00 175.35 173.41 1joq s LEU 25 N 1.58 2.28 0.11 3.17 1.02 -0.86 -0.88 118.68 125.10 1joq s LEU 25 Ca 0.04 -1.20 -0.05 0.00 0.02 0.00 0.00 54.13 52.94 1joq s LEU 25 Cb -0.18 -0.37 -0.05 0.00 0.02 0.00 0.00 46.19 45.61 1joq s LEU 25 CO 0.06 -0.46 0.34 -0.32 0.02 0.00 0.00 176.35 175.99 1joq s MET 26 N -3.82 3.60 -0.12 1.70 1.75 -0.48 -1.22 119.30 120.71 1joq s MET 26 Ca 0.28 -0.12 -0.04 0.00 -1.25 0.00 0.00 55.69 54.56 1joq s MET 26 Cb 0.05 -2.91 0.06 0.00 2.84 0.00 0.00 34.83 34.87 1joq s MET 26 CO 0.09 0.51 0.22 -0.47 -0.65 0.00 0.00 175.02 174.72 1joq s TYR 27 N -1.58 -0.31 -1.61 4.11 5.04 0.23 -1.81 117.35 121.43 1joq s TYR 27 Ca 0.38 0.76 -0.17 0.00 -2.44 0.00 0.00 57.07 55.59 1joq s TYR 27 Cb -0.12 -0.16 0.15 0.00 0.35 0.00 0.00 41.96 42.17 1joq s TYR 27 CO 0.24 -0.34 0.73 1.63 -1.34 0.00 0.00 175.55 176.46 1joq n LYS 28 N 5.34 -3.11 -2.75 4.97 4.01 -1.26 0.50 118.16 125.86 1joq n LYS 28 Ca -0.05 0.37 -0.07 0.00 -0.51 0.00 0.00 58.31 58.05 1joq n LYS 28 Cb 0.50 -5.09 0.02 0.00 -0.51 0.00 0.00 35.03 29.94 1joq n LYS 28 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1joq n GLY 29 N -1.32 0.48 2.78 0.72 0.00 -1.26 -5.02 105.19 101.58 1joq n GLY 29 Ca 0.07 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 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 -5.27 0.32 -0.54 1.61 0.74 0.18 -5.10 119.66 111.60 1joq s GLN 30 Ca 0.15 -0.04 -0.28 0.00 0.05 0.00 0.00 55.36 55.25 1joq s GLN 30 Cb -0.07 -0.65 0.00 0.00 1.10 0.00 0.00 33.01 33.39 1joq s GLN 30 CO 0.19 -0.98 1.58 -1.25 -0.55 0.00 0.00 175.29 174.29 1joq s PRO 31 N 2.39 3.13 0.37 1.67 0.04 -1.26 -0.60 135.00 140.75 1joq s PRO 31 Ca 0.09 0.63 0.06 0.00 0.04 0.00 0.00 61.00 61.82 1joq s PRO 31 Cb -0.14 -4.20 -0.07 0.00 0.04 0.00 0.00 34.50 30.13 1joq s PRO 31 CO -0.30 -2.13 0.01 -1.64 0.04 0.00 0.00 177.00 172.98 1joq s MET 32 N 5.92 1.82 -0.25 4.56 -1.94 -0.36 -4.92 119.30 124.12 1joq s MET 32 Ca 0.60 -2.01 -0.08 0.00 -1.71 0.00 0.00 55.69 52.49 1joq s MET 32 Cb -0.13 -1.35 -0.03 0.00 2.01 0.00 0.00 34.83 35.32 1joq s MET 32 CO 0.25 -0.07 0.09 0.95 -0.01 0.00 0.00 175.02 176.22 1joq s THR 33 N -2.92 4.48 -0.01 2.05 -4.23 -1.26 -2.04 115.64 111.72 1joq s THR 33 Ca 0.35 -0.11 -0.02 0.00 -1.18 0.00 0.00 61.69 60.73 1joq s THR 33 Cb 0.09 -3.10 -0.04 0.00 1.34 0.00 0.00 72.50 70.78 1joq s THR 33 CO 0.17 0.33 0.14 -0.36 -0.54 0.00 0.00 174.62 174.36 1joq s PHE 34 N 1.60 3.45 0.13 3.99 0.40 -0.70 -0.72 117.98 126.13 1joq s PHE 34 Ca 0.06 0.31 0.11 0.00 -0.60 0.00 0.00 56.93 56.81 1joq s PHE 34 Cb -0.15 -1.80 -0.04 0.00 0.51 0.00 0.00 43.02 41.54 1joq s PHE 34 CO 0.05 0.61 -0.27 1.03 0.70 0.00 0.00 175.22 177.35 1joq s ARG 35 N -1.84 1.43 0.18 0.44 1.81 -0.95 -2.26 118.95 117.77 1joq s ARG 35 Ca 0.25 -1.33 -0.31 0.00 -1.72 0.00 0.00 55.73 52.62 1joq s ARG 35 Cb -0.12 -1.91 -0.10 0.00 -0.45 0.00 0.00 34.95 32.36 1joq s ARG 35 CO 0.16 0.45 1.57 -0.51 -0.68 0.00 0.00 175.30 176.30 1joq s LEU 36 N -2.02 4.37 0.18 2.53 1.43 -0.76 -4.24 118.68 120.17 1joq s LEU 36 Ca 0.14 2.67 -0.13 0.00 -1.03 0.00 0.00 54.13 55.78 1joq s LEU 36 Cb -0.10 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.45 1joq s LEU 36 CO 0.06 -0.83 0.55 -0.76 0.23 0.00 0.00 176.35 175.59 1joq s LEU 37 N 0.92 4.28 0.00 1.79 1.43 -1.26 -3.93 118.68 121.91 1joq s LEU 37 Ca 0.69 1.02 0.00 0.00 -1.03 0.00 0.00 54.13 54.81 1joq s LEU 37 Cb -0.44 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 42.36 1joq s LEU 37 CO 0.33 0.04 0.00 0.18 0.23 0.00 0.00 176.35 177.13 1joq n LEU 38 N 0.47 0.68 -4.04 1.79 4.77 -1.25 -4.93 117.00 114.49 1joq n LEU 38 Ca -0.03 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.85 1joq n LEU 38 Cb 0.52 -1.79 -0.08 0.00 -2.33 0.00 0.00 43.42 39.74 1joq n LEU 38 CO 0.43 -0.65 -0.05 0.54 -1.33 0.00 0.00 177.39 176.33 1joq s VAL 39 N -1.37 0.04 -0.19 4.08 0.11 -1.25 -2.25 120.40 119.57 1joq s VAL 39 Ca 0.00 -1.58 -0.29 0.00 -2.93 0.00 0.00 61.98 57.18 1joq s VAL 39 Cb 0.00 -2.09 0.13 0.00 -1.53 0.00 0.00 36.38 32.89 1joq s VAL 39 CO 0.00 -0.18 1.03 -0.62 -3.33 0.00 0.00 175.10 172.00 1joq s ASP 40 N -3.03 -0.37 0.61 3.54 -1.08 -0.53 -4.66 116.67 111.15 1joq s ASP 40 Ca 0.24 0.49 -0.08 0.00 -0.52 0.00 0.00 52.55 52.67 1joq s ASP 40 Cb 0.04 0.41 -0.01 0.00 -1.46 0.00 0.00 42.92 41.90 1joq s ASP 40 CO 0.05 -0.28 0.96 0.42 0.52 0.00 0.00 175.17 176.83 1joq s THR 41 N -0.79 4.05 1.00 1.71 -4.23 -1.26 -2.29 115.64 113.82 1joq s THR 41 Ca -0.00 0.33 -0.17 0.00 -1.18 0.00 0.00 61.69 60.67 1joq s THR 41 Cb -0.02 -3.62 0.22 0.00 1.34 0.00 0.00 72.50 70.42 1joq s THR 41 CO -0.01 -0.71 1.31 -2.16 -0.54 0.00 0.00 174.62 172.51 1joq s PRO 42 N -5.08 0.35 -0.68 3.99 0.04 -1.26 -4.83 135.00 127.53 1joq s PRO 42 Ca 0.54 -0.40 -0.36 0.00 0.04 0.00 0.00 61.00 60.82 1joq s PRO 42 Cb -0.11 -1.81 -0.18 0.00 0.04 0.00 0.00 34.50 32.44 1joq s PRO 42 CO 0.48 -2.61 2.41 0.39 0.04 0.00 0.00 177.00 177.71 1joq n GLU 43 N -3.91 0.26 -1.44 4.56 1.02 -1.26 -4.65 120.64 115.22 1joq n GLU 43 Ca 0.15 0.05 -0.01 0.00 -0.02 0.00 0.00 57.16 57.33 1joq n GLU 43 Cb 0.59 -1.83 -0.01 0.00 -0.02 0.00 0.00 31.44 30.18 1joq n GLU 43 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1joq n THR 44 N 7.16 0.08 -2.23 2.62 5.66 -1.26 -4.84 114.28 121.47 1joq n THR 44 Ca 0.56 -0.71 -0.27 0.00 -3.05 0.00 0.00 64.05 60.57 1joq n THR 44 Cb 0.08 0.82 0.01 0.00 -1.55 0.00 0.00 70.33 69.69 1joq n THR 44 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1joq n LYS 45 N 0.13 3.41 -3.22 1.09 5.02 -1.26 -5.04 118.16 118.28 1joq n LYS 45 Ca -0.09 -4.26 -0.35 0.00 -2.02 0.00 0.00 58.31 51.59 1joq n LYS 45 Cb 0.93 -2.26 -0.06 0.00 -0.02 0.00 0.00 35.03 33.62 1joq n LYS 45 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1joq s HIS 46 N -3.62 3.58 0.00 2.13 3.76 -1.26 -5.05 115.29 114.84 1joq s HIS 46 Ca 0.50 1.21 0.00 0.00 -0.15 0.00 0.00 55.06 56.63 1joq s HIS 46 Cb 0.41 -2.49 0.00 0.00 1.11 0.00 0.00 32.58 31.61 1joq s HIS 46 CO -0.12 0.33 0.00 -0.35 -0.85 0.00 0.00 174.74 173.75 1joq n PRO 47 N 0.55 0.00 -2.63 8.40 -0.04 -1.26 -4.78 135.00 135.25 1joq n PRO 47 Ca -0.02 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.16 1joq n PRO 47 Cb 0.52 -0.04 -0.01 0.00 -0.04 0.00 0.00 33.50 33.93 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 -0.04 3.38 0.00 0.54 4.76 -1.26 -4.71 118.16 120.82 1joq n LYS 48 Ca 0.00 -4.62 0.00 0.00 -2.87 0.00 0.00 58.31 50.82 1joq n LYS 48 Cb 0.00 -2.25 0.00 0.00 -1.84 0.00 0.00 35.03 30.94 1joq n LYS 48 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1joq n LYS 49 N -0.40 0.00 0.00 1.97 5.02 -1.26 -5.16 118.16 118.33 1joq n LYS 49 Ca 0.37 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1joq n LYS 49 Cb 0.56 -0.61 0.00 0.00 -0.02 0.00 0.00 35.03 34.96 1joq n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1joq n GLY 50 N 2.66 -0.48 0.00 0.72 0.00 -1.26 -4.98 105.19 101.85 1joq n GLY 50 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1joq n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1joq n VAL 51 N -0.51 0.00 -2.73 1.61 0.31 -1.26 -4.99 118.33 110.76 1joq n VAL 51 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 1joq n VAL 51 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 1joq n VAL 51 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1joq n GLU 52 N -1.43 -1.18 0.00 5.55 1.02 -1.26 -4.83 120.64 118.50 1joq n GLU 52 Ca 0.00 1.11 0.00 0.00 -0.02 0.00 0.00 57.16 58.25 1joq n GLU 52 Cb 0.00 -4.77 0.00 0.00 -0.02 0.00 0.00 31.44 26.65 1joq n GLU 52 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1joq n LYS 53 N -1.89 0.00 -1.51 3.49 2.85 -1.26 -4.96 118.16 114.88 1joq n LYS 53 Ca -0.01 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.28 1joq n LYS 53 Cb 0.52 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.94 1joq n LYS 53 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1joq n TYR 54 N 0.00 0.10 0.00 5.58 4.01 -1.26 -4.96 117.16 120.63 1joq n TYR 54 Ca 0.00 -0.71 0.00 0.00 -0.16 0.00 0.00 57.90 57.03 1joq n TYR 54 Cb 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 1joq n TYR 54 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1joq n GLY 55 N 0.27 0.56 2.27 2.72 0.00 -1.26 -4.34 105.19 105.42 1joq n GLY 55 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1joq n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1joq n PRO 56 N -0.21 3.45 0.00 1.61 -0.04 -1.26 -4.05 135.00 134.51 1joq n PRO 56 Ca 0.00 -2.10 0.00 0.00 -0.04 0.00 0.00 63.50 61.36 1joq n PRO 56 Cb 0.00 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 30.83 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 3.17 0.00 0.11 0.54 4.71 -1.26 -4.70 120.64 123.21 1joq n GLU 57 Ca 0.70 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.79 1joq n GLU 57 Cb 0.36 -0.16 -0.04 0.00 -1.01 0.00 0.00 31.44 30.60 1joq n GLU 57 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1joq h ALA 58 N 0.00 -0.36 -0.96 0.62 0.00 -1.78 -1.03 119.26 115.74 1joq h ALA 58 Ca 0.00 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 54.97 1joq h ALA 58 Cb 0.29 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.12 1joq h ALA 58 CO 0.00 -0.35 0.56 0.66 0.00 0.00 0.00 179.25 180.12 1joq h SER 59 N -1.07 0.71 0.20 0.00 4.64 -1.82 0.25 113.55 116.46 1joq h SER 59 Ca -0.04 0.10 -0.12 0.00 -0.47 0.00 0.00 61.79 61.25 1joq h SER 59 Cb 0.35 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1joq h SER 59 CO 0.06 0.26 -0.46 0.00 -0.87 0.00 0.00 176.83 175.82 1joq h ALA 60 N 1.62 0.97 0.62 5.18 0.00 -1.84 -0.91 119.26 124.90 1joq h ALA 60 Ca 0.54 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1joq h ALA 60 Cb 0.82 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1joq h ALA 60 CO -0.38 0.64 -0.51 0.35 0.00 0.00 0.00 179.25 179.35 1joq h PHE 61 N 0.26 -1.39 0.00 0.00 3.57 0.89 -2.04 116.94 118.23 1joq h PHE 61 Ca 0.02 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.43 1joq h PHE 61 Cb 0.92 0.53 -0.01 0.00 2.79 0.00 0.00 35.95 40.17 1joq h PHE 61 CO 0.02 -0.71 -0.43 1.15 -2.23 0.00 0.00 178.31 176.11 1joq h THR 62 N -1.10 1.30 0.09 4.41 2.02 -1.49 -2.25 112.91 115.89 1joq h THR 62 Ca -0.08 -1.50 -0.00 0.00 0.77 0.00 0.00 66.41 65.60 1joq h THR 62 Cb 0.92 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 69.14 1joq h THR 62 CO -0.00 0.43 -0.11 0.50 0.37 0.00 0.00 175.52 176.70 1joq h LYS 63 N 0.00 -0.20 0.00 6.66 3.64 -0.69 -0.75 116.57 125.23 1joq h LYS 63 Ca -0.00 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1joq h LYS 63 Cb 0.78 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1joq h LYS 63 CO 0.06 -0.13 -0.04 0.87 -2.27 0.00 0.00 179.45 177.93 1joq h LYS 64 N -0.21 0.00 0.00 1.90 1.57 -1.44 -0.62 116.57 117.77 1joq h LYS 64 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1joq h LYS 64 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1joq h LYS 64 CO -0.02 0.04 0.00 -0.12 -0.57 0.00 0.00 179.45 178.78 1joq n MET 65 N -3.92 0.00 0.33 3.15 1.56 -0.74 -1.91 117.12 115.60 1joq n MET 65 Ca -0.03 0.06 0.21 0.00 -0.27 0.00 0.00 57.70 57.68 1joq n MET 65 Cb 0.13 -0.98 1.13 0.00 2.15 0.00 0.00 33.22 35.65 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 0.05 -0.37 1.12 -1.51 -1.21 -0.20 116.25 114.13 1joq h VAL 66 Ca 0.00 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 65.34 1joq h VAL 66 Cb 0.00 0.94 -0.01 0.00 -2.13 0.00 0.00 31.29 30.09 1joq h VAL 66 CO 0.00 0.00 -0.28 -0.33 -1.23 0.00 0.00 177.57 175.73 1joq h GLU 67 N 0.00 0.77 -0.00 5.19 4.39 -1.08 -2.97 114.58 120.89 1joq h GLU 67 Ca 0.00 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1joq h GLU 67 Cb 0.12 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1joq h GLU 67 CO -0.00 0.96 -0.80 0.09 -1.16 0.00 0.00 179.01 178.10 1joq n ASN 68 N -4.09 0.87 -4.62 1.42 3.02 -0.48 -4.88 115.26 106.50 1joq n ASN 68 Ca -0.01 -0.77 -0.43 0.00 -0.03 0.00 0.00 54.58 53.35 1joq n ASN 68 Cb 0.47 0.71 -0.03 0.00 -0.61 0.00 0.00 39.78 40.32 1joq n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1joq s ALA 69 N -2.97 3.03 -1.18 5.41 0.00 -0.21 -4.79 121.76 121.05 1joq s ALA 69 Ca 0.10 0.93 0.12 0.00 0.00 0.00 0.00 51.96 53.12 1joq s ALA 69 Cb 0.17 -3.99 0.57 0.00 0.00 0.00 0.00 23.12 19.87 1joq s ALA 69 CO 0.79 -2.36 1.36 1.63 0.00 0.00 0.00 175.76 177.19 1joq n LYS 70 N 8.31 0.07 -3.70 0.00 5.02 -1.26 -4.55 118.16 122.06 1joq n LYS 70 Ca 0.26 0.24 -0.13 0.00 -2.02 0.00 0.00 58.31 56.66 1joq n LYS 70 Cb 0.44 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.82 1joq n LYS 70 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1joq s LYS 71 N -2.82 0.20 -0.22 1.97 1.02 -1.26 -5.00 119.74 113.62 1joq s LYS 71 Ca 0.08 0.64 0.02 0.00 0.02 0.00 0.00 55.97 56.73 1joq s LYS 71 Cb 0.08 -0.07 0.04 0.00 -0.52 0.00 0.00 37.83 37.36 1joq s LYS 71 CO 0.21 -0.21 -0.14 0.42 -0.92 0.00 0.00 175.35 174.71 1joq s ILE 72 N 1.74 2.21 0.37 2.17 1.09 -1.26 -2.82 121.20 124.71 1joq s ILE 72 Ca -0.05 -1.25 0.06 0.00 -1.10 0.00 0.00 60.65 58.31 1joq s ILE 72 Cb -0.11 -2.12 -0.07 0.00 -1.06 0.00 0.00 42.46 39.10 1joq s ILE 72 CO -0.09 0.25 0.03 -1.61 -0.10 0.00 0.00 174.94 173.42 1joq s GLU 73 N 1.21 1.81 0.00 2.79 8.01 -1.06 -1.51 118.70 129.95 1joq s GLU 73 Ca -0.02 -2.01 0.01 0.00 0.01 0.00 0.00 54.97 52.96 1joq s GLU 73 Cb -0.16 -1.29 -0.00 0.00 -4.31 0.00 0.00 34.13 28.36 1joq s GLU 73 CO -0.08 -0.10 -0.04 0.14 0.01 0.00 0.00 175.26 175.19 1joq s VAL 74 N -2.97 0.27 -0.39 2.63 -7.23 -0.45 -2.14 120.40 110.13 1joq s VAL 74 Ca 0.35 -0.23 0.02 0.00 -1.81 0.00 0.00 61.98 60.31 1joq s VAL 74 Cb 0.09 -0.25 0.11 0.00 0.56 0.00 0.00 36.38 36.89 1joq s VAL 74 CO 0.17 0.02 0.13 -0.70 -0.31 0.00 0.00 175.10 174.41 1joq s GLU 75 N -0.23 1.73 0.14 4.82 2.12 -0.80 -2.40 118.70 124.07 1joq s GLU 75 Ca -0.00 -1.96 -0.31 0.00 0.36 0.00 0.00 54.97 53.06 1joq s GLU 75 Cb -0.02 -3.35 -0.09 0.00 0.26 0.00 0.00 34.13 30.93 1joq s GLU 75 CO -0.00 -1.01 1.44 -0.06 -0.54 0.00 0.00 175.26 175.09 1joq s PHE 76 N 0.82 3.18 0.00 5.30 0.08 -1.26 -2.05 117.98 124.04 1joq s PHE 76 Ca 0.11 0.88 0.00 0.00 0.12 0.00 0.00 56.93 58.04 1joq s PHE 76 Cb -0.21 -3.76 0.00 0.00 -0.57 0.00 0.00 43.02 38.48 1joq s PHE 76 CO -0.06 -2.68 0.00 -3.47 -0.10 0.00 0.00 175.22 168.91 1joq n ASP 77 N 3.78 -0.71 -1.39 1.36 2.03 -1.26 -4.83 116.55 115.52 1joq n ASP 77 Ca 0.12 -0.33 0.12 0.00 0.52 0.00 0.00 54.79 55.22 1joq n ASP 77 Cb 0.41 0.00 0.33 0.00 -0.72 0.00 0.00 41.12 41.14 1joq n ASP 77 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1joq n LYS 78 N -1.04 2.76 0.00 -0.67 0.00 -1.26 -4.92 118.16 113.03 1joq n LYS 78 Ca 0.00 -2.69 0.00 0.00 -0.00 0.00 0.00 58.31 55.62 1joq n LYS 78 Cb 0.00 -1.59 0.00 0.00 -0.00 0.00 0.00 35.03 33.44 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 1.67 3.15 3.34 2.58 0.00 -1.26 -4.93 105.19 109.74 1joq n GLY 79 Ca 0.25 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.02 1joq n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1joq n GLN 80 N 0.00 0.10 -0.00 1.61 6.02 -1.26 -4.90 117.38 118.95 1joq n GLN 80 Ca 0.00 0.06 0.07 0.00 -0.01 0.00 0.00 57.00 57.13 1joq n GLN 80 Cb 0.00 -1.56 -0.10 0.00 1.02 0.00 0.00 30.24 29.61 1joq n GLN 80 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1joq n ARG 81 N 0.04 1.46 -4.04 -1.09 0.63 -1.26 -4.75 116.66 107.66 1joq n ARG 81 Ca 0.07 -0.05 -0.10 0.00 -0.92 0.00 0.00 57.85 56.86 1joq n ARG 81 Cb 0.51 -1.27 -0.08 0.00 0.45 0.00 0.00 32.46 32.07 1joq n ARG 81 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1joq s THR 82 N -2.66 0.08 0.00 5.15 -4.23 -1.26 -2.17 115.64 110.55 1joq s THR 82 Ca 0.02 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 1joq s THR 82 Cb 0.11 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 72.00 1joq s THR 82 CO 0.64 -0.34 0.00 0.47 -0.54 0.00 0.00 174.62 174.85 1joq n ASP 83 N -0.17 0.00 0.01 3.99 8.00 -0.32 -4.87 116.55 123.19 1joq n ASP 83 Ca -0.06 -0.20 -0.09 0.00 0.71 0.00 0.00 54.79 55.15 1joq n ASP 83 Cb 0.63 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.79 1joq n ASP 83 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1joq h LYS 84 N 0.00 0.54 0.00 -1.24 1.57 -2.03 -2.52 116.57 112.89 1joq h LYS 84 Ca 0.00 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1joq h LYS 84 Cb 0.00 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1joq h LYS 84 CO 0.00 0.95 0.00 0.66 -0.57 0.00 0.00 179.45 180.49 1joq n TYR 85 N -3.95 0.00 -0.85 -1.35 4.01 -1.26 -4.85 117.16 108.91 1joq n TYR 85 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1joq n TYR 85 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 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 0.98 0.49 3.72 2.72 0.00 -0.95 -5.02 105.19 107.13 1joq n GLY 86 Ca 0.23 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 1joq n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1joq s ARG 87 N -1.47 4.65 0.28 1.61 0.52 -1.26 -4.66 118.95 118.63 1joq s ARG 87 Ca 0.00 1.44 -0.29 0.00 -0.52 0.00 0.00 55.73 56.36 1joq s ARG 87 Cb 0.00 -3.40 -0.10 0.00 0.52 0.00 0.00 34.95 31.97 1joq s ARG 87 CO 0.00 0.13 1.38 0.20 0.02 0.00 0.00 175.30 177.02 1joq s GLY 88 N 0.33 2.62 -0.21 -3.53 0.00 0.10 -1.17 107.32 105.46 1joq s GLY 88 Ca 0.49 1.29 -0.03 0.00 0.00 0.00 0.00 44.72 46.47 1joq s GLY 88 CO 0.29 2.12 -0.06 1.08 0.00 0.00 0.00 173.10 176.53 1joq s LEU 89 N -0.96 2.79 -0.20 0.66 1.43 -0.92 -2.24 118.68 119.24 1joq s LEU 89 Ca 0.55 -0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 52.93 1joq s LEU 89 Cb -0.41 -1.70 0.14 0.00 0.03 0.00 0.00 46.19 44.25 1joq s LEU 89 CO 0.47 -0.02 1.06 0.00 0.23 0.00 0.00 176.35 178.10 1joq s ALA 90 N 1.45 -1.97 -0.31 4.21 0.00 -1.26 -4.28 121.76 119.60 1joq s ALA 90 Ca 0.06 1.67 -0.29 0.00 0.00 0.00 0.00 51.96 53.40 1joq s ALA 90 Cb -0.14 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 1joq s ALA 90 CO -0.05 -0.28 1.53 0.71 0.00 0.00 0.00 175.76 177.67 1joq s TYR 91 N -0.84 2.25 0.32 0.00 2.02 -0.87 -4.58 117.35 115.66 1joq s TYR 91 Ca 0.01 0.66 -0.27 0.00 -0.37 0.00 0.00 57.07 57.10 1joq s TYR 91 Cb -0.01 -4.09 -0.09 0.00 -0.40 0.00 0.00 41.96 37.36 1joq s TYR 91 CO -0.01 -2.42 1.00 0.42 -1.57 0.00 0.00 175.55 172.97 1joq s ILE 92 N 5.41 3.90 -0.08 2.71 1.01 -1.26 -1.91 121.20 130.98 1joq s ILE 92 Ca 0.67 1.65 0.01 0.00 0.00 0.00 0.00 60.65 62.99 1joq s ILE 92 Cb -0.20 -3.95 0.02 0.00 0.01 0.00 0.00 42.46 38.34 1joq s ILE 92 CO 0.30 0.20 -0.11 -0.31 0.00 0.00 0.00 174.94 175.01 1joq s TYR 93 N -1.47 1.54 -0.15 3.97 1.51 -0.91 -2.07 117.35 119.77 1joq s TYR 93 Ca 0.50 -0.65 0.00 0.00 -1.01 0.00 0.00 57.07 55.91 1joq s TYR 93 Cb -0.23 -1.16 -0.01 0.00 -0.11 0.00 0.00 41.96 40.45 1joq s TYR 93 CO 0.29 -0.37 -0.15 0.00 -1.11 0.00 0.00 175.55 174.22 1joq s ALA 94 N 0.98 2.52 -1.30 3.71 0.00 0.02 -2.57 121.76 125.12 1joq s ALA 94 Ca -0.08 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1joq s ALA 94 Cb -0.15 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.77 1joq s ALA 94 CO -0.00 0.07 0.00 -0.25 0.00 0.00 0.00 175.76 175.57 1joq n ASP 95 N 3.88 -4.87 0.00 0.00 8.00 -1.13 -1.72 116.55 120.71 1joq n ASP 95 Ca -0.19 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1joq n ASP 95 Cb 0.52 -3.45 0.00 0.00 -0.02 0.00 0.00 41.12 38.17 1joq n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1joq n GLY 96 N -0.95 0.61 3.30 0.44 0.00 -1.26 -5.04 105.19 102.29 1joq n GLY 96 Ca -0.12 -0.74 -0.17 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.59 1.21 -0.40 1.61 2.47 -0.70 -5.10 119.74 117.24 1joq s LYS 97 Ca 0.00 -1.49 -0.28 0.00 -1.56 0.00 0.00 55.97 52.64 1joq s LYS 97 Cb 0.00 -0.97 0.02 0.00 -1.46 0.00 0.00 37.83 35.42 1joq s LYS 97 CO 0.00 0.16 1.07 1.41 0.16 0.00 0.00 175.35 178.15 1joq s MET 98 N -3.46 3.87 0.08 4.03 -2.45 -1.26 -0.80 119.30 119.31 1joq s MET 98 Ca 0.18 0.75 -0.23 0.00 -1.25 0.00 0.00 55.69 55.14 1joq s MET 98 Cb -0.01 -3.82 -0.16 0.00 1.25 0.00 0.00 34.83 32.09 1joq s MET 98 CO 0.05 -1.12 1.68 0.28 1.05 0.00 0.00 175.02 176.96 1joq h VAL 99 N 5.96 1.04 -0.77 10.11 2.07 -1.76 -1.56 116.25 131.35 1joq h VAL 99 Ca -0.22 -0.15 0.17 0.00 0.82 0.00 0.00 66.70 67.32 1joq h VAL 99 Cb 1.06 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 1joq h VAL 99 CO 1.06 0.04 0.52 0.78 0.02 0.00 0.00 177.57 179.99 1joq h ASN 100 N -0.07 0.32 0.10 0.57 4.21 -1.91 0.20 115.58 118.99 1joq h ASN 100 Ca -0.00 0.02 -0.17 0.00 1.21 0.00 0.00 56.30 57.36 1joq h ASN 100 Cb 0.07 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.22 1joq h ASN 100 CO 0.00 0.15 -0.60 -0.08 -1.29 0.00 0.00 177.43 175.61 1joq h GLU 101 N 0.33 0.51 -0.52 0.81 4.81 -1.72 -2.63 114.58 116.16 1joq h GLU 101 Ca 0.38 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1joq h GLU 101 Cb 1.01 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1joq h GLU 101 CO -0.11 0.96 0.29 0.00 -0.73 0.00 0.00 179.01 179.42 1joq h ALA 102 N 0.96 0.67 0.40 2.92 0.00 0.31 0.11 119.26 124.65 1joq h ALA 102 Ca -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1joq h ALA 102 Cb 1.15 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1joq h ALA 102 CO 0.11 0.19 -0.19 -0.07 0.00 0.00 0.00 179.25 179.28 1joq h LEU 103 N 0.70 -0.46 -2.74 0.00 3.38 -1.31 -1.31 115.31 113.57 1joq h LEU 103 Ca 0.18 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1joq h LEU 103 Cb 0.04 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1joq h LEU 103 CO -0.03 -0.29 -0.01 0.58 0.09 0.00 0.00 178.44 178.78 1joq h VAL 104 N -0.59 0.16 -0.13 1.22 2.07 -1.28 -0.81 116.25 116.89 1joq h VAL 104 Ca -0.06 -0.05 -0.18 0.00 0.82 0.00 0.00 66.70 67.24 1joq h VAL 104 Cb 0.44 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1joq h VAL 104 CO 0.09 0.01 -0.65 -0.09 0.02 0.00 0.00 177.57 176.94 1joq h ARG 105 N 0.00 0.49 -0.66 1.57 2.43 0.36 -2.97 114.38 115.60 1joq h ARG 105 Ca -0.00 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1joq h ARG 105 Cb 0.04 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1joq h ARG 105 CO 0.00 0.98 0.00 0.94 -1.51 0.00 0.00 179.97 180.38 1joq n GLN 106 N -3.90 3.67 -3.69 0.20 7.27 -0.40 -4.84 117.38 115.70 1joq n GLN 106 Ca -0.04 -2.79 -0.21 0.00 0.07 0.00 0.00 57.00 54.03 1joq n GLN 106 Cb 0.66 -1.88 0.04 0.00 2.41 0.00 0.00 30.24 31.47 1joq n GLN 106 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1joq n GLY 107 N 1.14 -0.29 0.00 1.69 0.00 -0.72 -4.62 105.19 102.39 1joq n GLY 107 Ca 0.25 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.47 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 -4.27 0.26 -3.95 0.99 4.77 -0.70 -3.55 117.00 110.56 1joq n LEU 108 Ca -0.30 -0.18 -0.08 0.00 -0.03 0.00 0.00 56.01 55.42 1joq n LEU 108 Cb 0.68 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.68 1joq n LEU 108 CO 0.68 0.07 -0.20 0.00 -1.33 0.00 0.00 177.39 176.61 1joq s ALA 109 N -2.89 0.06 0.18 -1.18 0.00 -1.26 -4.64 121.76 112.04 1joq s ALA 109 Ca -0.02 -0.85 0.09 0.00 0.00 0.00 0.00 51.96 51.18 1joq s ALA 109 Cb 0.11 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 1joq s ALA 109 CO 0.66 -0.46 -0.10 0.15 0.00 0.00 0.00 175.76 176.01 1joq s LYS 110 N -3.89 2.03 0.54 0.00 1.02 -0.97 -4.61 119.74 113.87 1joq s LYS 110 Ca 0.06 -1.29 -0.18 0.00 0.02 0.00 0.00 55.97 54.58 1joq s LYS 110 Cb 0.06 -2.14 -0.06 0.00 -0.52 0.00 0.00 37.83 35.17 1joq s LYS 110 CO -0.10 0.43 1.07 0.08 -0.92 0.00 0.00 175.35 175.90 1joq s VAL 111 N -1.72 3.64 -0.03 3.17 1.01 -1.26 -1.45 120.40 123.76 1joq s VAL 111 Ca 0.25 0.92 -0.25 0.00 0.00 0.00 0.00 61.98 62.90 1joq s VAL 111 Cb -0.09 -3.37 0.08 0.00 0.00 0.00 0.00 36.38 33.00 1joq s VAL 111 CO 0.15 -0.32 1.14 0.00 0.00 0.00 0.00 175.10 176.07 1joq n ALA 112 N -1.48 -3.24 -3.68 5.51 0.00 -0.95 -4.82 120.51 111.85 1joq n ALA 112 Ca 0.10 -0.70 -0.23 0.00 0.00 0.00 0.00 53.44 52.60 1joq n ALA 112 Cb 0.52 0.12 0.01 0.00 0.00 0.00 0.00 19.45 20.10 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 -0.82 -2.13 -3.53 0.00 4.01 -1.26 -3.75 117.16 109.68 1joq n TYR 113 Ca 0.04 0.77 -0.41 0.00 -0.16 0.00 0.00 57.90 58.14 1joq n TYR 113 Cb 0.51 -3.08 -0.07 0.00 -0.31 0.00 0.00 39.34 36.39 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 -3.10 4.44 -0.09 -0.72 1.01 -1.26 -4.07 120.40 116.61 1joq s VAL 114 Ca 0.10 -2.12 0.04 0.00 0.00 0.00 0.00 61.98 60.00 1joq s VAL 114 Cb -0.05 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1joq s VAL 114 CO 0.88 -0.85 -0.23 -0.31 0.00 0.00 0.00 175.10 174.59 1joq s TYR 115 N 0.88 2.55 0.49 5.22 1.51 -1.26 -5.07 117.35 121.67 1joq s TYR 115 Ca 0.10 -0.86 -0.08 0.00 -1.01 0.00 0.00 57.07 55.21 1joq s TYR 115 Cb -0.22 -1.68 -0.05 0.00 -0.11 0.00 0.00 41.96 39.90 1joq s TYR 115 CO -0.03 -0.31 0.83 0.15 -1.11 0.00 0.00 175.55 175.09 1joq s LYS 116 N 0.13 3.64 -0.18 -0.62 1.02 -1.26 -0.76 119.74 121.71 1joq s LYS 116 Ca -0.12 0.41 0.01 0.00 0.02 0.00 0.00 55.97 56.30 1joq s LYS 116 Cb -0.16 -2.31 0.26 0.00 -0.52 0.00 0.00 37.83 35.10 1joq s LYS 116 CO 0.06 -0.23 1.39 -0.35 -0.92 0.00 0.00 175.35 175.31 1joq n PRO 117 N -2.03 1.50 -2.35 -1.68 -0.04 -1.26 -4.99 135.00 124.15 1joq n PRO 117 Ca 0.02 -1.20 -0.41 0.00 -0.04 0.00 0.00 63.50 61.88 1joq n PRO 117 Cb 0.55 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.13 7.02 -0.85 3.54 4.13 0.06 -4.20 115.26 124.84 1joq n ASN 118 Ca 0.24 -3.29 -0.05 0.00 1.68 0.00 0.00 54.58 53.16 1joq n ASN 118 Cb 0.95 -1.33 -0.05 0.00 -1.54 0.00 0.00 39.78 37.81 1joq n ASN 118 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1joq n ASN 119 N 1.75 -0.71 -0.15 6.41 0.23 -1.26 -4.39 115.26 117.15 1joq n ASN 119 Ca 0.49 -1.70 0.29 0.00 -0.53 0.00 0.00 54.58 53.13 1joq n ASN 119 Cb 0.29 0.21 0.67 0.00 -2.08 0.00 0.00 39.78 38.87 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 4.97 0.26 -1.89 5.53 2.02 -1.95 0.11 112.91 121.95 1joq h THR 120 Ca -0.40 0.00 -0.67 0.00 0.77 0.00 0.00 66.41 66.11 1joq h THR 120 Cb 1.29 0.37 -0.36 0.00 -1.74 0.00 0.00 68.15 67.71 1joq h THR 120 CO -0.20 0.00 -0.01 1.41 0.37 0.00 0.00 175.52 177.08 1joq n HIS 121 N -3.73 3.35 -0.01 3.16 8.25 -1.26 -4.69 115.22 120.29 1joq n HIS 121 Ca 0.19 -3.01 -0.14 0.00 -0.26 0.00 0.00 57.72 54.49 1joq n HIS 121 Cb 1.12 -0.60 -0.14 0.00 1.12 0.00 0.00 29.99 31.50 1joq n HIS 121 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1joq n GLU 122 N -0.40 0.69 -0.07 -0.41 2.13 0.37 -3.79 120.64 119.16 1joq n GLU 122 Ca 0.42 0.28 -0.11 0.00 0.66 0.00 0.00 57.16 58.42 1joq n GLU 122 Cb 0.44 -1.76 0.03 0.00 0.27 0.00 0.00 31.44 30.43 1joq n GLU 122 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 1joq h GLN 123 N 0.03 0.77 0.96 5.31 4.15 -1.83 -1.44 115.11 123.06 1joq h GLN 123 Ca -0.35 -0.40 -0.05 0.00 0.77 0.00 0.00 58.65 58.62 1joq h GLN 123 Cb 2.02 0.01 0.01 0.00 0.21 0.00 0.00 27.48 29.74 1joq h GLN 123 CO 0.08 1.03 -0.47 1.25 -1.93 0.00 0.00 178.83 178.79 1joq h LEU 124 N 0.63 -1.13 -2.11 -2.39 5.85 -1.92 -1.29 115.31 112.95 1joq h LEU 124 Ca 0.05 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1joq h LEU 124 Cb 0.95 0.30 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1joq h LEU 124 CO 0.09 -0.79 0.02 -0.07 -0.34 0.00 0.00 178.44 177.34 1joq h LEU 125 N -1.31 0.00 -0.64 2.25 3.38 -1.65 -1.23 115.31 116.11 1joq h LEU 125 Ca -0.13 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1joq h LEU 125 Cb 1.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 1joq h LEU 125 CO 0.21 0.00 0.19 0.03 0.09 0.00 0.00 178.44 178.96 1joq h ARG 126 N 0.00 1.00 0.16 1.13 2.47 -0.67 -0.75 114.38 117.71 1joq h ARG 126 Ca 0.01 -0.22 -0.01 0.00 -1.26 0.00 0.00 59.98 58.50 1joq h ARG 126 Cb 0.05 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.23 1joq h ARG 126 CO -0.00 0.88 -0.08 -0.22 0.56 0.00 0.00 179.97 181.11 1joq h LYS 127 N 0.92 -0.21 -1.41 0.04 3.64 -0.11 -2.19 116.57 117.25 1joq h LYS 127 Ca 0.20 0.01 0.44 0.00 -1.27 0.00 0.00 60.65 60.03 1joq h LYS 127 Cb 0.31 0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.07 1joq h LYS 127 CO -0.00 -0.14 0.95 0.77 -2.27 0.00 0.00 179.45 178.76 1joq h SER 128 N -0.51 0.18 0.17 4.20 0.02 -1.43 0.29 113.55 116.47 1joq h SER 128 Ca -0.02 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1joq h SER 128 Cb 0.16 0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1joq h SER 128 CO 0.04 -0.09 -0.08 -0.08 -1.14 0.00 0.00 176.83 175.47 1joq h GLU 129 N 0.09 -0.22 -1.00 3.45 4.57 -1.13 -2.18 114.58 118.16 1joq h GLU 129 Ca 0.79 0.01 0.22 0.00 -1.18 0.00 0.00 59.36 59.20 1joq h GLU 129 Cb 2.68 0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 31.22 1joq h GLU 129 CO -0.27 0.19 0.62 0.00 -1.18 0.00 0.00 179.01 178.37 1joq h ALA 130 N -0.04 1.83 -0.58 2.92 0.00 0.22 0.31 119.26 123.92 1joq h ALA 130 Ca -0.02 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1joq h ALA 130 Cb 0.50 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1joq h ALA 130 CO 0.04 -0.22 -0.05 0.37 0.00 0.00 0.00 179.25 179.39 1joq h GLN 131 N 0.64 1.06 0.00 0.00 5.75 -1.25 -2.01 115.11 119.30 1joq h GLN 131 Ca 0.59 -0.36 -0.01 0.00 -0.15 0.00 0.00 58.65 58.72 1joq h GLN 131 Cb 1.09 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.55 1joq h GLN 131 CO -0.37 1.06 -0.04 0.00 -2.65 0.00 0.00 178.83 176.83 1joq h ALA 132 N 0.97 1.33 0.12 3.38 0.00 0.26 -1.40 119.26 123.92 1joq h ALA 132 Ca 0.16 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.83 1joq h ALA 132 Cb 0.62 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.42 1joq h ALA 132 CO 0.04 0.05 -0.89 0.87 0.00 0.00 0.00 179.25 179.32 1joq h LYS 133 N 0.00 0.39 -0.07 0.00 1.57 -0.63 -2.23 116.57 115.59 1joq h LYS 133 Ca -0.00 -0.58 -0.06 0.00 -1.87 0.00 0.00 60.65 58.14 1joq h LYS 133 Cb 0.13 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1joq h LYS 133 CO 0.00 1.25 -0.23 0.87 -0.57 0.00 0.00 179.45 180.78 1joq h LYS 134 N -0.19 0.12 0.00 3.15 1.57 -1.00 -1.26 116.57 118.97 1joq h LYS 134 Ca -0.15 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1joq h LYS 134 Cb 1.66 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.96 1joq h LYS 134 CO 0.17 0.35 -0.23 0.39 -0.57 0.00 0.00 179.45 179.56 1joq n GLU 135 N -4.22 0.08 -3.79 3.15 1.02 -0.58 -4.96 120.64 111.35 1joq n GLU 135 Ca -0.01 0.05 -0.29 0.00 -0.02 0.00 0.00 57.16 56.88 1joq n GLU 135 Cb 0.32 -1.57 0.01 0.00 -0.02 0.00 0.00 31.44 30.18 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 -1.70 -1.12 -3.53 3.49 5.02 -0.48 -4.89 118.16 114.94 1joq n LYS 136 Ca 0.06 0.60 -0.41 0.00 -2.02 0.00 0.00 58.31 56.54 1joq n LYS 136 Cb 0.37 -2.91 -0.11 0.00 -0.02 0.00 0.00 35.03 32.36 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 -5.75 4.69 0.00 -0.35 1.43 -1.21 -4.40 118.68 113.08 1joq s LEU 137 Ca 0.20 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1joq s LEU 137 Cb -0.10 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 44.01 1joq s LEU 137 CO 0.90 -0.32 0.00 0.59 0.23 0.00 0.00 176.35 177.75 1joq n ASN 138 N 5.09 0.00 -0.46 2.29 3.02 -1.26 -2.88 115.26 121.06 1joq n ASN 138 Ca -0.12 0.00 0.40 0.00 -0.03 0.00 0.00 54.58 54.83 1joq n ASN 138 Cb 0.48 0.00 0.67 0.00 -0.61 0.00 0.00 39.78 40.32 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 -0.26 -0.75 2.41 5.41 -1.23 0.12 119.36 125.06 1joq n ILE 139 Ca 0.00 1.80 -0.11 0.00 1.00 0.00 0.00 62.75 65.44 1joq n ILE 139 Cb 0.00 -2.95 0.02 0.00 -0.71 0.00 0.00 39.64 36.00 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 -4.72 0.99 0.97 1.39 7.02 -1.14 -4.00 117.44 117.94 1joq n TRP 140 Ca 0.40 -1.62 0.10 0.00 -1.02 0.00 0.00 57.50 55.35 1joq n TRP 140 Cb 1.55 -0.79 -0.11 0.00 -2.42 0.00 0.00 31.31 29.53 1joq n TRP 140 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1joq n SER 141 N 0.76 1.01 -2.69 -0.99 2.88 0.33 -3.68 113.62 111.24 1joq n SER 141 Ca 0.19 -1.01 0.00 0.00 -1.33 0.00 0.00 58.87 56.73 1joq n SER 141 Cb 0.55 0.98 0.00 0.00 -0.75 0.00 0.00 64.21 64.99 1joq n SER 141 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1joq n GLU 142 N -1.42 -1.07 -0.62 -1.46 0.28 -1.26 -4.99 120.64 110.10 1joq n GLU 142 Ca 0.04 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.74 1joq n GLU 142 Cb 0.32 0.00 0.27 0.00 1.43 0.00 0.00 31.44 33.47 1joq n GLU 142 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1joq s ASP 143 N -1.62 -0.45 0.00 -1.84 -1.08 -1.26 -4.99 116.67 105.43 1joq s ASP 143 Ca 0.00 0.76 0.00 0.00 -0.52 0.00 0.00 52.55 52.79 1joq s ASP 143 Cb 0.00 -1.05 0.00 0.00 -1.46 0.00 0.00 42.92 40.41 1joq s ASP 143 CO 0.00 -4.98 0.00 -3.20 0.52 0.00 0.00 175.17 167.51 1joq n ASN 144 N -5.36 0.00 -4.46 -0.34 4.05 -1.26 -4.99 115.26 102.91 1joq n ASN 144 Ca 0.13 0.00 -0.44 0.00 0.45 0.00 0.00 54.58 54.72 1joq n ASN 144 Cb 0.60 0.23 0.00 0.00 1.23 0.00 0.00 39.78 41.83 1joq n ASN 144 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1joq n ALA 145 N -2.28 3.91 -0.98 5.20 0.00 -1.26 -4.96 120.51 120.15 1joq n ALA 145 Ca 0.00 -4.27 0.00 0.00 0.00 0.00 0.00 53.44 49.17 1joq n ALA 145 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 19.45 16.43 1joq n ALA 145 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1joq n ASP 146 N 5.45 -3.43 -3.57 0.00 9.92 -1.26 -4.91 116.55 118.76 1joq n ASP 146 Ca 0.36 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 54.35 1joq n ASP 146 Cb 0.42 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 40.95 1joq n ASP 146 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1joq n SER 147 N -2.92 -5.71 -1.04 -2.24 7.64 -1.26 -4.87 113.62 103.22 1joq n SER 147 Ca 0.00 -0.93 0.12 0.00 1.01 0.00 0.00 58.87 59.07 1joq n SER 147 Cb 0.00 -3.85 0.21 0.00 -1.01 0.00 0.00 64.21 59.56 1joq n SER 147 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1joq n GLY 148 N -1.57 1.37 0.00 0.23 0.00 -1.26 -4.77 105.19 99.19 1joq n GLY 148 Ca -0.09 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1joq n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26