#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1joq n THR 2 N 0.00 0.00 -4.32 0.00 5.66 -1.26 -5.11 114.28 109.25 1joq n THR 2 Ca 0.00 -0.14 -0.17 0.00 -3.05 0.00 0.00 64.05 60.70 1joq n THR 2 Cb 0.00 0.42 -0.10 0.00 -1.55 0.00 0.00 70.33 69.09 1joq n THR 2 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1joq s SER 3 N -0.83 1.79 -0.35 1.09 0.01 -1.26 -5.07 113.70 109.08 1joq s SER 3 Ca 0.05 -1.22 0.13 0.00 1.31 0.00 0.00 55.95 56.22 1joq s SER 3 Cb 0.05 0.02 0.41 0.00 0.21 0.00 0.00 66.02 66.71 1joq s SER 3 CO -0.02 -0.52 1.50 0.41 0.41 0.00 0.00 173.24 175.01 1joq n THR 4 N -0.41 0.07 -3.92 1.44 -1.04 -1.26 -4.97 114.28 104.19 1joq n THR 4 Ca -0.05 -1.18 -0.31 0.00 -2.04 0.00 0.00 64.05 60.46 1joq n THR 4 Cb 0.64 1.01 -0.03 0.00 -1.82 0.00 0.00 70.33 70.12 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 -1.36 -2.42 0.00 -2.82 5.02 -1.26 -4.85 118.16 110.48 1joq n LYS 5 Ca -0.14 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1joq n LYS 5 Cb 0.87 -4.93 0.00 0.00 -0.02 0.00 0.00 35.03 30.95 1joq n LYS 5 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1joq n LYS 6 N -3.90 0.00 0.00 1.97 5.02 -1.26 -4.90 118.16 115.09 1joq n LYS 6 Ca 0.06 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1joq n LYS 6 Cb 0.49 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.48 1joq n LYS 6 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1joq n LEU 7 N -1.60 0.00 -3.66 -0.35 4.77 -1.26 -5.08 117.00 109.83 1joq n LEU 7 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 1joq n LEU 7 Cb 0.00 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 40.93 1joq n LEU 7 CO 0.00 -0.33 -0.28 -2.28 -1.33 0.00 0.00 177.39 173.17 1joq s HIS 8 N -0.40 -0.08 -0.18 -1.77 2.46 -1.26 -5.11 115.29 108.95 1joq s HIS 8 Ca 0.00 0.41 -0.22 0.00 0.47 0.00 0.00 55.06 55.72 1joq s HIS 8 Cb 0.00 -0.37 -0.02 0.00 -0.13 0.00 0.00 32.58 32.06 1joq s HIS 8 CO 0.00 -0.28 0.70 0.15 -2.47 0.00 0.00 174.74 172.85 1joq s LYS 9 N 2.24 4.26 0.21 2.88 1.02 -1.26 -4.10 119.74 124.99 1joq s LYS 9 Ca 0.04 0.77 0.10 0.00 0.02 0.00 0.00 55.97 56.90 1joq s LYS 9 Cb -0.12 -3.56 -0.05 0.00 -0.52 0.00 0.00 37.83 33.58 1joq s LYS 9 CO -0.05 -0.24 -0.20 -1.21 -0.92 0.00 0.00 175.35 172.73 1joq s GLU 10 N 1.88 1.48 0.77 1.68 8.01 -0.79 -4.97 118.70 126.76 1joq s GLU 10 Ca 0.33 -1.58 -0.11 0.00 0.01 0.00 0.00 54.97 53.62 1joq s GLU 10 Cb -0.16 -1.61 0.05 0.00 -4.31 0.00 0.00 34.13 28.10 1joq s GLU 10 CO 0.12 0.32 1.09 -1.25 0.01 0.00 0.00 175.26 175.54 1joq s PRO 11 N -3.07 2.35 0.30 0.39 0.04 -1.26 -0.73 135.00 133.03 1joq s PRO 11 Ca 0.22 0.75 -0.09 0.00 0.04 0.00 0.00 61.00 61.92 1joq s PRO 11 Cb -0.06 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.58 1joq s PRO 11 CO 0.10 -1.46 0.57 0.00 0.04 0.00 0.00 177.00 176.25 1joq n ALA 12 N -3.34 -1.16 -2.72 8.56 0.00 -0.21 -4.62 120.51 117.02 1joq n ALA 12 Ca 0.07 -1.06 -0.18 0.00 0.00 0.00 0.00 53.44 52.28 1joq n ALA 12 Cb 0.55 0.85 -0.12 0.00 0.00 0.00 0.00 19.45 20.73 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 -2.39 1.02 -0.62 0.00 2.01 -0.56 -4.45 115.64 110.66 1joq s THR 13 Ca 0.15 -1.21 -0.24 0.00 0.31 0.00 0.00 61.69 60.70 1joq s THR 13 Cb -0.03 -0.99 0.05 0.00 0.01 0.00 0.00 72.50 71.55 1joq s THR 13 CO 0.11 -0.21 0.98 -0.22 -0.69 0.00 0.00 174.62 174.59 1joq s LEU 14 N -1.60 4.17 -0.15 4.42 2.96 -1.26 -1.25 118.68 125.96 1joq s LEU 14 Ca -0.03 -0.67 -0.15 0.00 -0.22 0.00 0.00 54.13 53.07 1joq s LEU 14 Cb -0.10 -2.61 -0.12 0.00 0.50 0.00 0.00 46.19 43.87 1joq s LEU 14 CO 0.02 -1.38 0.19 0.40 -1.32 0.00 0.00 176.35 174.26 1joq h ILE 15 N 6.00 0.65 -0.00 6.68 2.04 -1.44 -3.48 117.51 127.95 1joq h ILE 15 Ca -0.28 -1.61 0.30 0.00 1.00 0.00 0.00 64.86 64.27 1joq h ILE 15 Cb 1.07 1.35 -0.23 0.00 -0.74 0.00 0.00 36.82 38.27 1joq h ILE 15 CO 1.15 0.22 0.40 -0.75 0.00 0.00 0.00 178.15 179.17 1joq s LYS 16 N -2.08 0.00 0.23 2.37 2.20 -0.98 -5.00 119.74 116.48 1joq s LYS 16 Ca -0.15 0.00 -0.30 0.00 -0.36 0.00 0.00 55.97 55.16 1joq s LYS 16 Cb 0.01 0.00 -0.10 0.00 -1.51 0.00 0.00 37.83 36.24 1joq s LYS 16 CO 0.36 -0.00 1.42 0.00 -0.36 0.00 0.00 175.35 176.77 1joq s ALA 17 N 2.72 3.61 -0.22 3.13 0.00 -1.26 -2.25 121.76 127.49 1joq s ALA 17 Ca -0.08 1.28 -0.07 0.00 0.00 0.00 0.00 51.96 53.08 1joq s ALA 17 Cb -0.06 -3.54 -0.19 0.00 0.00 0.00 0.00 23.12 19.33 1joq s ALA 17 CO -0.09 -0.70 -0.04 -0.89 0.00 0.00 0.00 175.76 174.05 1joq n ILE 18 N 2.52 1.58 -2.37 0.00 5.41 -0.55 -4.90 119.36 121.06 1joq n ILE 18 Ca 0.07 -0.47 0.00 0.00 1.00 0.00 0.00 62.75 63.35 1joq n ILE 18 Cb 0.41 -1.69 0.00 0.00 -0.71 0.00 0.00 39.64 37.64 1joq n ILE 18 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1joq n ASP 19 N -3.71 0.00 0.07 4.38 2.03 -0.77 -4.96 116.55 113.59 1joq n ASP 19 Ca -0.42 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.01 1joq n ASP 19 Cb 0.94 0.00 0.22 0.00 -0.72 0.00 0.00 41.12 41.56 1joq n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1joq n GLY 20 N 0.00 -1.47 0.00 0.27 0.00 -1.26 -3.96 105.19 98.78 1joq n GLY 20 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1joq n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1joq n ASP 21 N -2.13 0.76 -4.20 1.61 2.03 -1.26 -4.66 116.55 108.71 1joq n ASP 21 Ca 0.04 -1.02 -0.28 0.00 0.52 0.00 0.00 54.79 54.04 1joq n ASP 21 Cb 0.44 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.67 1joq n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1joq s THR 22 N -0.02 1.68 -0.26 5.18 2.01 -1.25 -1.53 115.64 121.44 1joq s THR 22 Ca 0.00 -0.87 -0.09 0.00 0.31 0.00 0.00 61.69 61.04 1joq s THR 22 Cb 0.00 -1.42 0.11 0.00 0.01 0.00 0.00 72.50 71.20 1joq s THR 22 CO 0.00 0.48 0.56 0.68 -0.69 0.00 0.00 174.62 175.65 1joq s VAL 23 N -0.16 -0.82 0.00 3.82 -7.23 -0.87 -1.48 120.40 113.66 1joq s VAL 23 Ca -0.01 0.06 -0.30 0.00 -1.81 0.00 0.00 61.98 59.93 1joq s VAL 23 Cb -0.11 -0.87 -0.04 0.00 0.56 0.00 0.00 36.38 35.91 1joq s VAL 23 CO 0.02 0.03 1.14 -0.54 -0.31 0.00 0.00 175.10 175.43 1joq s LYS 24 N 2.72 4.44 0.08 4.82 1.02 -0.96 -2.04 119.74 129.82 1joq s LYS 24 Ca -0.05 1.64 0.02 0.00 0.02 0.00 0.00 55.97 57.60 1joq s LYS 24 Cb -0.12 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.71 1joq s LYS 24 CO -0.17 -0.27 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.42 1joq s LEU 25 N 1.44 2.41 -0.11 3.17 1.43 -0.99 -1.09 118.68 124.95 1joq s LEU 25 Ca 0.56 -0.83 -0.22 0.00 -1.03 0.00 0.00 54.13 52.61 1joq s LEU 25 Cb -0.25 -0.09 -0.03 0.00 0.03 0.00 0.00 46.19 45.84 1joq s LEU 25 CO 0.26 -0.37 0.64 -0.32 0.23 0.00 0.00 176.35 176.79 1joq s MET 26 N -2.99 4.36 -0.15 1.70 1.75 -0.38 -2.27 119.30 121.31 1joq s MET 26 Ca 0.03 0.72 -0.01 0.00 -1.25 0.00 0.00 55.69 55.19 1joq s MET 26 Cb -0.00 -3.48 0.04 0.00 2.84 0.00 0.00 34.83 34.23 1joq s MET 26 CO -0.03 -0.00 -0.03 -0.47 -0.65 0.00 0.00 175.02 173.83 1joq s TYR 27 N 1.08 1.44 -1.57 4.11 5.04 -0.76 -1.49 117.35 125.20 1joq s TYR 27 Ca 0.33 -0.89 -0.13 0.00 -2.44 0.00 0.00 57.07 53.94 1joq s TYR 27 Cb -0.17 -1.19 0.10 0.00 0.35 0.00 0.00 41.96 41.05 1joq s TYR 27 CO 0.14 -0.56 0.79 1.63 -1.34 0.00 0.00 175.55 176.21 1joq n LYS 28 N 4.94 -4.14 -2.52 4.97 5.02 -1.26 0.28 118.16 125.46 1joq n LYS 28 Ca -0.11 0.47 -0.12 0.00 -2.02 0.00 0.00 58.31 56.53 1joq n LYS 28 Cb 0.48 -5.15 0.01 0.00 -0.02 0.00 0.00 35.03 30.35 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 -1.61 -0.04 2.67 0.72 0.00 -1.26 -4.98 105.19 100.69 1joq n GLY 29 Ca -0.02 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 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 -4.97 0.44 -0.11 1.61 0.74 0.14 -5.11 119.66 112.41 1joq s GLN 30 Ca 0.11 -0.64 -0.30 0.00 0.05 0.00 0.00 55.36 54.58 1joq s GLN 30 Cb -0.05 -0.86 -0.03 0.00 1.10 0.00 0.00 33.01 33.17 1joq s GLN 30 CO 0.14 -1.11 1.32 -1.25 -0.55 0.00 0.00 175.29 173.83 1joq s PRO 31 N 1.79 4.26 0.17 1.67 0.04 -1.26 -1.82 135.00 139.85 1joq s PRO 31 Ca 0.13 1.77 -0.01 0.00 0.04 0.00 0.00 61.00 62.94 1joq s PRO 31 Cb -0.16 -3.72 -0.04 0.00 0.04 0.00 0.00 34.50 30.61 1joq s PRO 31 CO -0.18 -0.65 0.08 -1.64 0.04 0.00 0.00 177.00 174.65 1joq s MET 32 N 3.15 1.07 -0.42 4.56 -1.94 -0.96 -4.93 119.30 119.83 1joq s MET 32 Ca 0.59 -1.54 -0.24 0.00 -1.71 0.00 0.00 55.69 52.79 1joq s MET 32 Cb -0.25 0.19 0.02 0.00 2.01 0.00 0.00 34.83 36.80 1joq s MET 32 CO 0.20 -0.30 0.81 0.99 -0.01 0.00 0.00 175.02 176.71 1joq s THR 33 N -4.05 4.64 -0.12 2.05 2.01 -1.26 -2.34 115.64 116.57 1joq s THR 33 Ca 0.31 0.66 -0.18 0.00 0.31 0.00 0.00 61.69 62.78 1joq s THR 33 Cb 0.07 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 1joq s THR 33 CO 0.07 -0.64 0.48 -0.36 -0.69 0.00 0.00 174.62 173.47 1joq s PHE 34 N 3.32 3.51 -0.11 4.92 0.08 -0.86 -0.92 117.98 127.90 1joq s PHE 34 Ca 0.32 0.88 -0.01 0.00 0.12 0.00 0.00 56.93 58.24 1joq s PHE 34 Cb -0.12 -2.55 -0.02 0.00 -0.57 0.00 0.00 43.02 39.75 1joq s PHE 34 CO 0.21 0.16 -0.09 0.50 -0.10 0.00 0.00 175.22 175.90 1joq s ARG 35 N 0.66 3.24 0.23 0.44 6.06 -0.73 -2.06 118.95 126.79 1joq s ARG 35 Ca 0.26 -0.60 -0.32 0.00 -2.50 0.00 0.00 55.73 52.57 1joq s ARG 35 Cb -0.15 -2.68 -0.13 0.00 0.06 0.00 0.00 34.95 32.05 1joq s ARG 35 CO 0.10 0.37 1.56 1.28 -2.50 0.00 0.00 175.30 176.11 1joq n LEU 36 N 3.09 3.64 -4.85 -0.88 4.77 -0.58 -3.62 117.00 118.58 1joq n LEU 36 Ca -0.18 1.12 -0.35 0.00 -0.03 0.00 0.00 56.01 56.57 1joq n LEU 36 Cb 0.53 -1.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.05 1joq n LEU 36 CO 0.30 -0.13 0.23 -0.76 -1.33 0.00 0.00 177.39 175.70 1joq s LEU 37 N 0.28 4.33 0.00 2.23 1.43 -1.24 -3.92 118.68 121.79 1joq s LEU 37 Ca 0.70 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.87 1joq s LEU 37 Cb -0.58 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.36 1joq s LEU 37 CO 0.44 0.10 0.00 0.18 0.23 0.00 0.00 176.35 177.30 1joq n LEU 38 N 0.77 0.49 -4.03 1.79 4.77 -1.23 -4.96 117.00 114.60 1joq n LEU 38 Ca -0.05 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.85 1joq n LEU 38 Cb 0.52 -1.07 -0.10 0.00 -2.33 0.00 0.00 43.42 40.43 1joq n LEU 38 CO 0.43 -0.36 -0.33 0.68 -1.33 0.00 0.00 177.39 176.48 1joq s VAL 39 N -2.07 0.18 -0.23 4.08 -7.23 -1.14 -1.59 120.40 112.40 1joq s VAL 39 Ca 0.00 -1.45 -0.03 0.00 -1.81 0.00 0.00 61.98 58.69 1joq s VAL 39 Cb 0.00 -1.10 0.12 0.00 0.56 0.00 0.00 36.38 35.96 1joq s VAL 39 CO 0.00 -0.80 0.32 -0.62 -0.31 0.00 0.00 175.10 173.69 1joq s ASP 40 N -2.42 0.74 0.66 4.85 2.15 -0.40 -4.51 116.67 117.74 1joq s ASP 40 Ca -0.01 -0.01 -0.14 0.00 0.43 0.00 0.00 52.55 52.82 1joq s ASP 40 Cb 0.02 0.81 -0.00 0.00 -0.30 0.00 0.00 42.92 43.45 1joq s ASP 40 CO -0.07 -0.32 1.09 0.42 -0.17 0.00 0.00 175.17 176.13 1joq s THR 41 N 2.45 3.46 0.33 1.71 -4.23 -1.26 -2.52 115.64 115.58 1joq s THR 41 Ca 0.10 0.64 -0.27 0.00 -1.18 0.00 0.00 61.69 60.98 1joq s THR 41 Cb -0.15 -3.17 -0.09 0.00 1.34 0.00 0.00 72.50 70.42 1joq s THR 41 CO -0.16 -0.46 1.01 -2.16 -0.54 0.00 0.00 174.62 172.32 1joq s PRO 42 N -4.26 4.49 1.17 3.99 0.04 -1.26 -4.92 135.00 134.25 1joq s PRO 42 Ca 0.65 1.52 -0.13 0.00 0.04 0.00 0.00 61.00 63.07 1joq s PRO 42 Cb -0.18 -2.86 0.28 0.00 0.04 0.00 0.00 34.50 31.78 1joq s PRO 42 CO 0.43 0.15 1.03 -1.83 0.04 0.00 0.00 177.00 176.82 1joq s GLU 43 N -1.96 -0.93 -0.47 4.56 1.03 -1.26 -4.71 118.70 114.97 1joq s GLU 43 Ca 0.50 0.69 -0.15 0.00 0.03 0.00 0.00 54.97 56.04 1joq s GLU 43 Cb -0.24 -1.56 0.07 0.00 -0.80 0.00 0.00 34.13 31.60 1joq s GLU 43 CO 0.30 -3.69 0.39 0.95 -1.33 0.00 0.00 175.26 171.87 1joq s THR 44 N -2.55 5.14 -0.77 1.83 -4.23 -1.26 -4.95 115.64 108.86 1joq s THR 44 Ca 0.68 -1.11 0.03 0.00 -1.18 0.00 0.00 61.69 60.11 1joq s THR 44 Cb -0.23 -4.08 0.30 0.00 1.34 0.00 0.00 72.50 69.82 1joq s THR 44 CO 0.63 -0.58 1.11 1.17 -0.54 0.00 0.00 174.62 176.41 1joq n LYS 45 N 5.18 3.55 -3.53 3.99 4.81 -1.26 -5.03 118.16 125.87 1joq n LYS 45 Ca -0.12 -4.71 -0.37 0.00 -0.87 0.00 0.00 58.31 52.24 1joq n LYS 45 Cb 0.43 -2.33 -0.07 0.00 0.02 0.00 0.00 35.03 33.08 1joq n LYS 45 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1joq s HIS 46 N -3.10 3.52 0.00 5.64 3.76 -1.26 -4.91 115.29 118.94 1joq s HIS 46 Ca 0.41 0.69 0.00 0.00 -0.15 0.00 0.00 55.06 56.01 1joq s HIS 46 Cb 0.17 -2.33 0.00 0.00 1.11 0.00 0.00 32.58 31.53 1joq s HIS 46 CO -0.04 0.32 0.10 -0.35 -0.85 0.00 0.00 174.74 173.93 1joq n PRO 47 N 3.21 0.00 0.00 8.40 -0.04 -1.26 -5.00 135.00 140.31 1joq n PRO 47 Ca -0.12 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1joq n PRO 47 Cb 0.52 -0.73 0.00 0.00 -0.04 0.00 0.00 33.50 33.25 1joq n PRO 47 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1joq n LYS 48 N -0.96 0.00 -3.19 0.54 4.81 -1.26 -4.99 118.16 113.12 1joq n LYS 48 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.19 1joq n LYS 48 Cb 0.00 -0.10 -0.06 0.00 0.02 0.00 0.00 35.03 34.90 1joq n LYS 48 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1joq n LYS 49 N -1.58 2.29 -0.08 1.64 0.00 -1.26 -5.08 118.16 114.08 1joq n LYS 49 Ca 0.00 -4.34 0.01 0.00 0.00 0.00 0.00 58.31 53.98 1joq n LYS 49 Cb 0.00 -2.02 -0.00 0.00 0.00 0.00 0.00 35.03 33.01 1joq n LYS 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1joq n GLY 50 N 0.47 -1.50 0.00 3.14 0.00 -1.26 -5.02 105.19 101.02 1joq n GLY 50 Ca 0.28 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.59 0.00 0.05 1.61 0.31 -1.26 -4.24 118.33 113.21 1joq n VAL 51 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1joq n VAL 51 Cb 0.04 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 1joq n VAL 51 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1joq n GLU 52 N 0.00 0.00 -0.29 5.55 0.28 -1.26 -4.95 120.64 119.98 1joq n GLU 52 Ca 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.03 1joq n GLU 52 Cb 0.00 0.00 0.11 0.00 1.43 0.00 0.00 31.44 32.98 1joq n GLU 52 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 177.13 178.54 1joq h LYS 53 N 0.00 0.01 0.00 3.44 2.10 -2.00 -3.41 116.57 116.70 1joq h LYS 53 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1joq h LYS 53 Cb 0.00 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1joq h LYS 53 CO 0.00 0.00 0.00 2.48 -2.00 0.00 0.00 179.45 179.93 1joq n TYR 54 N -5.52 0.00 -1.38 0.07 0.18 -1.26 -4.92 117.16 104.33 1joq n TYR 54 Ca 0.12 0.00 -0.51 0.00 1.88 0.00 0.00 57.90 59.40 1joq n TYR 54 Cb 0.43 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.26 1joq n TYR 54 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1joq n GLY 55 N 0.00 -0.21 3.57 -7.48 0.00 -1.26 -4.80 105.19 95.01 1joq n GLY 55 Ca 0.00 1.10 -0.41 0.00 0.00 0.00 0.00 46.02 46.70 1joq n GLY 55 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1joq s PRO 56 N 7.30 3.27 -0.35 1.61 0.04 -1.26 -4.87 135.00 140.74 1joq s PRO 56 Ca 1.24 0.34 0.07 0.00 0.04 0.00 0.00 61.00 62.69 1joq s PRO 56 Cb -1.29 -4.14 0.49 0.00 0.04 0.00 0.00 34.50 29.61 1joq s PRO 56 CO 0.56 -1.99 1.49 0.39 0.04 0.00 0.00 177.00 177.50 1joq n GLU 57 N 8.78 2.35 0.12 4.56 4.71 -1.26 -4.73 120.64 135.15 1joq n GLU 57 Ca 0.11 -3.42 -0.13 0.00 -0.01 0.00 0.00 57.16 53.70 1joq n GLU 57 Cb 0.49 -1.99 -0.07 0.00 -1.01 0.00 0.00 31.44 28.86 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 1.39 -0.22 0.02 0.62 0.00 -1.89 0.58 119.26 119.76 1joq h ALA 58 Ca 0.32 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.22 1joq h ALA 58 Cb 1.55 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 1joq h ALA 58 CO 0.65 -0.62 -0.30 0.66 0.00 0.00 0.00 179.25 179.64 1joq h SER 59 N -0.22 -0.88 -0.05 0.00 4.64 -1.84 0.17 113.55 115.36 1joq h SER 59 Ca -0.02 0.11 0.02 0.00 -0.47 0.00 0.00 61.79 61.43 1joq h SER 59 Cb 0.18 0.35 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1joq h SER 59 CO 0.03 -0.37 0.07 0.00 -0.87 0.00 0.00 176.83 175.69 1joq h ALA 60 N 0.29 1.52 0.15 5.18 0.00 -1.86 -1.34 119.26 123.20 1joq h ALA 60 Ca 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1joq h ALA 60 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1joq h ALA 60 CO -0.24 -0.10 -0.07 0.35 0.00 0.00 0.00 179.25 179.19 1joq h PHE 61 N 0.00 -0.19 0.00 0.00 3.57 0.17 -1.95 116.94 118.54 1joq h PHE 61 Ca 0.03 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1joq h PHE 61 Cb 0.17 0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.97 1joq h PHE 61 CO 0.00 -0.12 0.05 1.15 -2.23 0.00 0.00 178.31 177.16 1joq h THR 62 N -0.25 0.00 0.46 4.41 2.02 -1.30 -1.27 112.91 116.98 1joq h THR 62 Ca -0.02 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1joq h THR 62 Cb 0.15 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1joq h THR 62 CO 0.03 0.00 -0.22 0.50 0.37 0.00 0.00 175.52 176.21 1joq h LYS 63 N 0.00 -0.59 0.00 6.66 3.64 -1.03 -2.43 116.57 122.82 1joq h LYS 63 Ca 0.00 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1joq h LYS 63 Cb 0.10 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1joq h LYS 63 CO 0.00 -0.29 -0.20 -0.22 -2.27 0.00 0.00 179.45 176.47 1joq h LYS 64 N -1.01 0.00 0.00 1.90 1.63 -0.86 -1.05 116.57 117.17 1joq h LYS 64 Ca -0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1joq h LYS 64 Cb 0.57 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 1joq h LYS 64 CO 0.10 0.20 0.00 -1.33 -3.45 0.00 0.00 179.45 174.98 1joq n MET 65 N -3.57 0.00 -0.18 1.90 2.81 -0.52 -1.42 117.12 116.13 1joq n MET 65 Ca -0.01 0.34 0.04 0.00 -1.81 0.00 0.00 57.70 56.26 1joq n MET 65 Cb 0.34 -1.22 0.32 0.00 -0.71 0.00 0.00 33.22 31.96 1joq n MET 65 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 1joq h VAL 66 N 0.00 1.08 -0.59 2.03 -1.51 -1.51 0.19 116.25 115.94 1joq h VAL 66 Ca 0.00 -0.28 0.02 0.00 -1.23 0.00 0.00 66.70 65.21 1joq h VAL 66 Cb 0.00 0.19 -0.03 0.00 -2.13 0.00 0.00 31.29 29.32 1joq h VAL 66 CO 0.00 0.15 0.39 -0.33 -1.23 0.00 0.00 177.57 176.55 1joq h GLU 67 N 0.82 0.71 -0.02 5.19 5.08 -1.24 -1.00 114.58 124.13 1joq h GLU 67 Ca 0.29 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1joq h GLU 67 Cb 0.11 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1joq h GLU 67 CO -0.08 0.47 -0.24 0.09 -1.00 0.00 0.00 179.01 178.25 1joq n ASN 68 N -4.46 2.12 -4.56 1.42 3.02 -0.43 -4.83 115.26 107.54 1joq n ASN 68 Ca 0.06 -1.57 -0.42 0.00 -0.03 0.00 0.00 54.58 52.62 1joq n ASN 68 Cb 0.10 0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 39.45 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 -2.27 3.03 0.24 5.41 0.00 0.54 -4.87 121.76 123.84 1joq s ALA 69 Ca 0.25 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 1joq s ALA 69 Cb 0.19 -3.96 0.28 0.00 0.00 0.00 0.00 23.12 19.63 1joq s ALA 69 CO 0.45 -2.63 1.67 1.57 0.00 0.00 0.00 175.76 176.82 1joq h LYS 70 N 9.51 0.64 -5.28 0.00 -0.00 -1.88 -3.42 116.57 116.15 1joq h LYS 70 Ca -0.26 -0.25 -0.67 0.00 -0.00 0.00 0.00 60.65 59.47 1joq h LYS 70 Cb 1.06 -0.03 -0.32 0.00 -0.00 0.00 0.00 32.23 32.94 1joq h LYS 70 CO 1.17 0.83 -0.84 0.15 -0.00 0.00 0.00 179.45 180.75 1joq s LYS 71 N -4.55 3.13 -0.13 0.07 1.02 -1.26 -5.04 119.74 112.99 1joq s LYS 71 Ca -0.08 -0.82 0.02 0.00 0.02 0.00 0.00 55.97 55.11 1joq s LYS 71 Cb 0.13 -2.44 -0.00 0.00 -0.52 0.00 0.00 37.83 35.00 1joq s LYS 71 CO 0.82 0.12 -0.20 0.42 -0.92 0.00 0.00 175.35 175.59 1joq s ILE 72 N 0.52 2.35 -0.10 2.17 1.09 -1.26 -3.57 121.20 122.41 1joq s ILE 72 Ca -0.13 -0.90 0.02 0.00 -1.10 0.00 0.00 60.65 58.54 1joq s ILE 72 Cb -0.17 -1.95 0.02 0.00 -1.06 0.00 0.00 42.46 39.30 1joq s ILE 72 CO 0.05 0.54 -0.13 -1.61 -0.10 0.00 0.00 174.94 173.69 1joq s GLU 73 N 0.56 1.94 0.10 2.79 8.01 -0.90 -1.05 118.70 130.16 1joq s GLU 73 Ca -0.12 -0.46 -0.12 0.00 0.01 0.00 0.00 54.97 54.28 1joq s GLU 73 Cb -0.16 -1.68 -0.06 0.00 -4.31 0.00 0.00 34.13 27.91 1joq s GLU 73 CO 0.04 -0.07 0.47 0.14 0.01 0.00 0.00 175.26 175.85 1joq s VAL 74 N 1.00 4.98 -0.63 2.63 -7.23 0.09 -1.16 120.40 120.09 1joq s VAL 74 Ca -0.07 0.66 0.05 0.00 -1.81 0.00 0.00 61.98 60.80 1joq s VAL 74 Cb -0.15 -3.69 0.16 0.00 0.56 0.00 0.00 36.38 33.25 1joq s VAL 74 CO -0.01 0.29 0.41 -0.70 -0.31 0.00 0.00 175.10 174.78 1joq s GLU 75 N -1.86 2.20 0.25 4.82 2.12 0.13 -1.89 118.70 124.47 1joq s GLU 75 Ca 0.34 -3.02 -0.30 0.00 0.36 0.00 0.00 54.97 52.35 1joq s GLU 75 Cb -0.15 -3.25 -0.14 0.00 0.26 0.00 0.00 34.13 30.85 1joq s GLU 75 CO 0.18 -1.23 1.25 1.19 -0.54 0.00 0.00 175.26 176.11 1joq n PHE 76 N 2.41 1.81 -1.42 5.30 3.72 -1.26 -2.25 117.46 125.77 1joq n PHE 76 Ca 0.15 0.56 -0.11 0.00 -0.05 0.00 0.00 57.45 58.00 1joq n PHE 76 Cb 0.35 -2.37 0.08 0.00 -0.94 0.00 0.00 39.48 36.59 1joq n PHE 76 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1joq n ASP 77 N 1.71 0.07 0.13 4.37 2.03 -1.26 -4.44 116.55 119.16 1joq n ASP 77 Ca 0.11 -1.20 0.12 0.00 0.52 0.00 0.00 54.79 54.33 1joq n ASP 77 Cb 0.31 -0.38 0.06 0.00 -0.72 0.00 0.00 41.12 40.38 1joq n ASP 77 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1joq h LYS 78 N 0.00 0.00 0.00 -0.67 2.10 -1.93 -3.46 116.57 112.60 1joq h LYS 78 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 1joq h LYS 78 Cb 0.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 1joq h LYS 78 CO 0.12 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.98 1joq n GLY 79 N 1.18 -0.43 3.69 0.07 0.00 -1.26 -4.97 105.19 103.48 1joq n GLY 79 Ca 0.01 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 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 0.00 1.56 0.00 1.61 1.11 -1.26 -4.93 119.66 117.75 1joq s GLN 80 Ca 0.00 1.75 0.10 0.00 0.01 0.00 0.00 55.36 57.22 1joq s GLN 80 Cb 0.00 -1.77 -0.06 0.00 -1.01 0.00 0.00 33.01 30.17 1joq s GLN 80 CO 0.00 -2.27 0.51 0.54 0.01 0.00 0.00 175.29 174.08 1joq n ARG 81 N -3.39 3.09 -3.79 2.91 1.74 -1.26 -4.74 116.66 111.21 1joq n ARG 81 Ca 0.13 -0.25 -0.13 0.00 -0.77 0.00 0.00 57.85 56.84 1joq n ARG 81 Cb 0.51 -1.01 -0.14 0.00 -1.02 0.00 0.00 32.46 30.79 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 -1.71 -0.02 0.11 0.55 -4.23 -1.26 -2.11 115.64 106.97 1joq s THR 82 Ca 0.06 0.09 -0.00 0.00 -1.18 0.00 0.00 61.69 60.65 1joq s THR 82 Cb 0.08 -0.18 0.02 0.00 1.34 0.00 0.00 72.50 73.76 1joq s THR 82 CO 0.34 0.04 0.15 -0.90 -0.54 0.00 0.00 174.62 173.71 1joq n ASP 83 N 3.59 0.18 0.14 3.99 5.68 -0.92 -4.90 116.55 124.31 1joq n ASP 83 Ca -0.19 -1.16 0.00 0.00 -0.50 0.00 0.00 54.79 52.95 1joq n ASP 83 Cb 0.55 -0.10 0.30 0.00 -1.14 0.00 0.00 41.12 40.73 1joq n ASP 83 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1joq h LYS 84 N 0.00 0.12 0.00 0.11 2.10 -2.02 -1.90 116.57 114.98 1joq h LYS 84 Ca -0.05 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.55 1joq h LYS 84 Cb 0.18 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1joq h LYS 84 CO 0.05 0.48 0.00 0.66 -2.00 0.00 0.00 179.45 178.65 1joq n TYR 85 N -4.07 0.00 -2.14 0.07 4.02 -1.26 -4.82 117.16 108.96 1joq n TYR 85 Ca -0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.85 1joq n TYR 85 Cb 0.44 -0.31 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 1joq n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1joq n GLY 86 N 0.00 0.33 3.79 2.72 0.00 -0.71 -5.04 105.19 106.28 1joq n GLY 86 Ca 0.07 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 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 -4.29 2.91 -0.25 1.61 0.52 -1.26 -4.59 118.95 113.61 1joq s ARG 87 Ca 0.01 -0.76 -0.20 0.00 -0.52 0.00 0.00 55.73 54.26 1joq s ARG 87 Cb -0.00 -2.70 -0.02 0.00 0.52 0.00 0.00 34.95 32.74 1joq s ARG 87 CO 0.01 0.53 0.62 0.20 0.02 0.00 0.00 175.30 176.68 1joq s GLY 88 N -2.71 1.84 -0.26 -3.53 0.00 -0.10 -2.17 107.32 100.38 1joq s GLY 88 Ca 0.30 -0.43 -0.12 0.00 0.00 0.00 0.00 44.72 44.47 1joq s GLY 88 CO 0.23 1.41 0.24 1.08 0.00 0.00 0.00 173.10 176.06 1joq s LEU 89 N 2.41 4.05 0.00 0.66 1.43 -0.90 -1.77 118.68 124.57 1joq s LEU 89 Ca 0.26 0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 53.28 1joq s LEU 89 Cb -0.16 -2.22 0.07 0.00 0.03 0.00 0.00 46.19 43.92 1joq s LEU 89 CO 0.09 -0.06 0.98 0.00 0.23 0.00 0.00 176.35 177.59 1joq n ALA 90 N 4.92 -2.61 -2.58 4.21 0.00 -1.24 -4.17 120.51 119.03 1joq n ALA 90 Ca -0.12 -0.89 -0.38 0.00 0.00 0.00 0.00 53.44 52.04 1joq n ALA 90 Cb 0.52 0.45 -0.11 0.00 0.00 0.00 0.00 19.45 20.30 1joq n ALA 90 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1joq s TYR 91 N -2.39 3.22 0.34 0.00 2.02 -0.96 -3.61 117.35 115.97 1joq s TYR 91 Ca 0.22 0.10 -0.17 0.00 -0.37 0.00 0.00 57.07 56.86 1joq s TYR 91 Cb -0.02 -2.42 -0.09 0.00 -0.40 0.00 0.00 41.96 39.03 1joq s TYR 91 CO 0.04 -0.20 0.78 0.42 -1.57 0.00 0.00 175.55 175.02 1joq s ILE 92 N 1.79 4.61 -0.07 2.71 1.01 -1.26 -0.69 121.20 129.29 1joq s ILE 92 Ca 0.08 1.09 0.00 0.00 0.00 0.00 0.00 60.65 61.82 1joq s ILE 92 Cb -0.16 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 38.70 1joq s ILE 92 CO 0.11 -0.18 -0.05 -0.31 0.00 0.00 0.00 174.94 174.51 1joq s TYR 93 N -1.99 0.98 -0.08 3.97 1.51 -0.31 -1.60 117.35 119.84 1joq s TYR 93 Ca 0.55 -0.36 0.04 0.00 -1.01 0.00 0.00 57.07 56.29 1joq s TYR 93 Cb -0.11 -0.88 -0.00 0.00 -0.11 0.00 0.00 41.96 40.86 1joq s TYR 93 CO 0.17 -0.31 -0.23 0.00 -1.11 0.00 0.00 175.55 174.07 1joq s ALA 94 N 1.35 2.05 -0.39 3.71 0.00 0.02 -2.11 121.76 126.37 1joq s ALA 94 Ca -0.04 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1joq s ALA 94 Cb -0.14 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.25 1joq s ALA 94 CO -0.03 0.31 0.00 -0.25 0.00 0.00 0.00 175.76 175.79 1joq n ASP 95 N 3.36 -4.78 0.00 0.00 9.92 -1.23 -1.57 116.55 122.25 1joq n ASP 95 Ca -0.19 0.09 0.00 0.00 -0.53 0.00 0.00 54.79 54.16 1joq n ASP 95 Cb 0.53 -2.61 0.00 0.00 -0.64 0.00 0.00 41.12 38.40 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 -0.76 0.99 3.97 0.44 0.00 -1.26 -5.04 105.19 103.52 1joq n GLY 96 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.66 3.44 -0.26 1.61 2.36 -0.61 -5.06 119.74 120.57 1joq s LYS 97 Ca 0.00 -0.74 -0.26 0.00 -2.55 0.00 0.00 55.97 52.43 1joq s LYS 97 Cb 0.00 -2.89 0.00 0.00 -1.05 0.00 0.00 37.83 33.90 1joq s LYS 97 CO 0.00 0.43 0.89 1.41 1.55 0.00 0.00 175.35 179.63 1joq s MET 98 N -3.95 4.14 0.25 4.03 -2.45 -1.26 -0.80 119.30 119.25 1joq s MET 98 Ca 0.34 0.97 -0.05 0.00 -1.25 0.00 0.00 55.69 55.71 1joq s MET 98 Cb -0.09 -3.67 0.32 0.00 1.25 0.00 0.00 34.83 32.64 1joq s MET 98 CO 0.29 -0.62 1.89 0.28 1.05 0.00 0.00 175.02 177.91 1joq h VAL 99 N 5.50 1.14 -0.69 10.11 2.07 -1.63 -1.50 116.25 131.26 1joq h VAL 99 Ca -0.22 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1joq h VAL 99 Cb 1.08 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1joq h VAL 99 CO 0.92 0.22 0.39 0.78 0.02 0.00 0.00 177.57 179.89 1joq h ASN 100 N 1.18 0.84 -0.67 0.57 4.21 -1.92 -2.10 115.58 117.69 1joq h ASN 100 Ca 0.38 -0.08 -0.04 0.00 1.21 0.00 0.00 56.30 57.78 1joq h ASN 100 Cb 0.03 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 36.99 1joq h ASN 100 CO -0.13 0.68 0.29 -0.08 -1.29 0.00 0.00 177.43 176.90 1joq h GLU 101 N 0.94 1.02 -0.82 0.81 4.81 -1.69 -2.15 114.58 117.49 1joq h GLU 101 Ca 0.24 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1joq h GLU 101 Cb 0.01 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.17 1joq h GLU 101 CO -0.04 0.82 0.45 0.00 -0.73 0.00 0.00 179.01 179.50 1joq h ALA 102 N 1.32 1.24 -0.24 2.92 0.00 -0.67 -0.26 119.26 123.57 1joq h ALA 102 Ca 0.24 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1joq h ALA 102 Cb 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1joq h ALA 102 CO -0.02 0.61 0.08 -0.07 0.00 0.00 0.00 179.25 179.85 1joq h LEU 103 N 1.15 0.35 -1.83 0.00 3.38 -0.84 -1.91 115.31 115.61 1joq h LEU 103 Ca 0.29 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1joq h LEU 103 Cb 0.03 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1joq h LEU 103 CO -0.05 0.45 -0.13 0.58 0.09 0.00 0.00 178.44 179.39 1joq h VAL 104 N 0.22 0.56 -0.09 1.22 2.07 -1.01 -1.90 116.25 117.32 1joq h VAL 104 Ca 0.08 -0.59 -0.18 0.00 0.82 0.00 0.00 66.70 66.83 1joq h VAL 104 Cb 0.23 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1joq h VAL 104 CO -0.00 0.13 -0.69 -0.09 0.02 0.00 0.00 177.57 176.93 1joq h ARG 105 N 0.00 0.41 -0.68 1.57 1.12 -0.33 -2.89 114.38 113.58 1joq h ARG 105 Ca -0.00 -0.32 0.00 0.00 -1.11 0.00 0.00 59.98 58.55 1joq h ARG 105 Cb 0.38 0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.40 1joq h ARG 105 CO 0.02 0.95 0.00 0.94 -3.11 0.00 0.00 179.97 178.76 1joq n GLN 106 N -3.86 3.75 -4.24 0.20 -0.06 -0.79 -4.86 117.38 107.53 1joq n GLN 106 Ca -0.04 -2.29 -0.37 0.00 -2.00 0.00 0.00 57.00 52.30 1joq n GLN 106 Cb 0.68 -2.02 -0.05 0.00 -4.06 0.00 0.00 30.24 24.80 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 0.53 -0.43 0.07 1.69 0.00 -0.98 -4.16 105.19 101.92 1joq n GLY 107 Ca 0.20 0.10 -0.07 0.00 0.00 0.00 0.00 46.02 46.25 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 -4.11 0.00 -4.78 0.99 4.77 -0.78 -2.28 117.00 110.81 1joq n LEU 108 Ca 0.09 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.72 1joq n LEU 108 Cb 0.47 0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 41.84 1joq n LEU 108 CO 0.85 0.35 -0.24 0.00 -1.33 0.00 0.00 177.39 177.01 1joq s ALA 109 N -2.38 3.58 -0.23 -1.18 0.00 -1.19 -4.20 121.76 116.15 1joq s ALA 109 Ca -0.07 -0.78 -0.06 0.00 0.00 0.00 0.00 51.96 51.05 1joq s ALA 109 Cb 0.05 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 1joq s ALA 109 CO 0.60 0.64 0.02 0.15 0.00 0.00 0.00 175.76 177.17 1joq s LYS 110 N -1.26 3.55 -0.30 0.00 1.02 -1.05 -4.59 119.74 117.11 1joq s LYS 110 Ca 0.18 -0.54 -0.37 0.00 0.02 0.00 0.00 55.97 55.26 1joq s LYS 110 Cb -0.12 -3.18 -0.13 0.00 -0.52 0.00 0.00 37.83 33.88 1joq s LYS 110 CO 0.07 -0.17 1.99 0.28 -0.92 0.00 0.00 175.35 176.61 1joq n VAL 111 N 4.79 0.28 -4.15 3.17 0.31 -1.26 -1.27 118.33 120.19 1joq n VAL 111 Ca -0.17 -0.15 -0.11 0.00 -0.01 0.00 0.00 64.34 63.89 1joq n VAL 111 Cb 0.51 -1.47 -0.09 0.00 -0.91 0.00 0.00 33.84 31.88 1joq n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1joq s ALA 112 N 5.50 0.83 -0.54 3.52 0.00 -0.62 -4.84 121.76 125.60 1joq s ALA 112 Ca 1.04 -1.50 -0.09 0.00 0.00 0.00 0.00 51.96 51.42 1joq s ALA 112 Cb -0.94 1.29 0.01 0.00 0.00 0.00 0.00 23.12 23.48 1joq s ALA 112 CO 0.56 -0.65 0.61 0.66 0.00 0.00 0.00 175.76 176.95 1joq n TYR 113 N -0.29 -3.13 -3.76 0.00 4.01 -1.26 -2.87 117.16 109.87 1joq n TYR 113 Ca 0.01 1.23 -0.36 0.00 -0.16 0.00 0.00 57.90 58.62 1joq n TYR 113 Cb 0.65 -3.98 -0.11 0.00 -0.31 0.00 0.00 39.34 35.59 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 -2.73 3.46 0.01 -0.72 1.01 -1.26 -3.76 120.40 116.40 1joq s VAL 114 Ca 0.14 -2.66 0.05 0.00 0.00 0.00 0.00 61.98 59.51 1joq s VAL 114 Cb -0.04 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 1joq s VAL 114 CO 0.73 -0.80 -0.16 -0.31 0.00 0.00 0.00 175.10 174.55 1joq s TYR 115 N 0.36 1.46 0.56 5.22 2.02 -1.26 -5.08 117.35 120.63 1joq s TYR 115 Ca 0.14 -0.31 -0.10 0.00 -0.37 0.00 0.00 57.07 56.43 1joq s TYR 115 Cb -0.21 -0.91 -0.04 0.00 -0.40 0.00 0.00 41.96 40.39 1joq s TYR 115 CO -0.04 0.01 0.94 0.15 -1.57 0.00 0.00 175.55 175.05 1joq s LYS 116 N -0.68 3.62 -0.21 -0.62 1.02 -1.26 -1.09 119.74 120.53 1joq s LYS 116 Ca 0.05 0.60 0.01 0.00 0.02 0.00 0.00 55.97 56.65 1joq s LYS 116 Cb -0.07 -2.18 0.27 0.00 -0.52 0.00 0.00 37.83 35.32 1joq s LYS 116 CO 0.00 -0.41 1.50 -0.35 -0.92 0.00 0.00 175.35 175.17 1joq n PRO 117 N -2.44 1.56 -2.18 -1.68 -0.04 -1.26 -4.99 135.00 123.97 1joq n PRO 117 Ca 0.04 -1.29 -0.41 0.00 -0.04 0.00 0.00 63.50 61.80 1joq n PRO 117 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.07 6.35 -0.54 3.54 3.02 -0.25 -4.23 115.26 123.07 1joq n ASN 118 Ca 0.25 -3.12 0.05 0.00 -0.03 0.00 0.00 54.58 51.74 1joq n ASN 118 Cb 0.92 -1.43 0.08 0.00 -0.61 0.00 0.00 39.78 38.74 1joq n ASN 118 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1joq n ASN 119 N 2.98 1.22 0.00 6.41 3.02 -1.26 -4.49 115.26 123.14 1joq n ASN 119 Ca 0.49 -2.67 -0.02 0.00 -0.03 0.00 0.00 54.58 52.36 1joq n ASN 119 Cb 0.31 -0.35 -0.01 0.00 -0.61 0.00 0.00 39.78 39.12 1joq n ASN 119 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1joq h THR 120 N 3.73 0.00 -0.60 3.41 2.02 -1.97 -1.73 112.91 117.77 1joq h THR 120 Ca -0.04 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 66.82 1joq h THR 120 Cb 1.29 0.00 -0.19 0.00 -1.74 0.00 0.00 68.15 67.51 1joq h THR 120 CO 0.02 0.00 0.41 1.41 0.37 0.00 0.00 175.52 177.72 1joq n HIS 121 N -2.93 1.85 -0.04 3.16 8.25 -1.26 -4.33 115.22 119.93 1joq n HIS 121 Ca -0.01 -1.38 -0.16 0.00 -0.26 0.00 0.00 57.72 55.91 1joq n HIS 121 Cb 0.05 -0.70 -0.07 0.00 1.12 0.00 0.00 29.99 30.39 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 0.67 0.68 -0.56 -0.41 4.57 -1.64 -2.03 114.58 115.86 1joq h GLU 122 Ca 0.38 -0.52 -0.04 0.00 -1.18 0.00 0.00 59.36 58.00 1joq h GLU 122 Cb 2.04 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 30.70 1joq h GLU 122 CO 0.69 1.14 0.18 0.37 -1.18 0.00 0.00 179.01 180.21 1joq h GLN 123 N 0.36 0.86 0.44 1.92 4.15 -1.75 -1.34 115.11 119.76 1joq h GLN 123 Ca -0.03 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.19 1joq h GLN 123 Cb 1.23 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.79 1joq h GLN 123 CO 0.13 0.78 -0.21 1.25 -1.93 0.00 0.00 178.83 178.84 1joq h LEU 124 N 0.78 -0.51 -1.76 -2.39 5.85 -1.85 -2.08 115.31 113.35 1joq h LEU 124 Ca 0.18 0.02 0.36 0.00 0.84 0.00 0.00 57.88 59.28 1joq h LEU 124 Cb 0.27 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 1joq h LEU 124 CO -0.01 -0.30 0.87 -0.07 -0.34 0.00 0.00 178.44 178.59 1joq h LEU 125 N -0.72 0.14 0.03 2.25 3.38 -1.40 0.24 115.31 119.23 1joq h LEU 125 Ca -0.06 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1joq h LEU 125 Cb 0.46 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1joq h LEU 125 CO 0.10 -0.00 -0.02 -0.09 0.09 0.00 0.00 178.44 178.52 1joq h ARG 126 N 0.11 -0.04 0.62 1.13 2.43 -0.96 -1.45 114.38 116.22 1joq h ARG 126 Ca 0.64 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.79 1joq h ARG 126 Cb 2.27 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 31.84 1joq h ARG 126 CO -0.13 0.22 -0.30 -0.22 -1.51 0.00 0.00 179.97 178.03 1joq h LYS 127 N -0.30 -0.81 -0.95 0.20 1.63 0.14 -2.18 116.57 114.30 1joq h LYS 127 Ca -0.00 0.06 0.29 0.00 -0.85 0.00 0.00 60.65 60.14 1joq h LYS 127 Cb 0.28 0.18 -0.16 0.00 -0.60 0.00 0.00 32.23 31.93 1joq h LYS 127 CO 0.01 -0.54 0.26 0.77 -3.45 0.00 0.00 179.45 176.50 1joq h SER 128 N -0.92 -0.04 0.11 4.20 0.02 -1.39 0.39 113.55 115.92 1joq h SER 128 Ca -0.09 0.23 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1joq h SER 128 Cb 0.64 0.32 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 1joq h SER 128 CO 0.14 -0.27 -0.19 -0.08 -1.14 0.00 0.00 176.83 175.29 1joq h GLU 129 N 0.12 -0.36 -0.58 3.45 4.22 -1.04 0.74 114.58 121.13 1joq h GLU 129 Ca 0.64 0.02 0.17 0.00 0.08 0.00 0.00 59.36 60.27 1joq h GLU 129 Cb 1.42 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.72 1joq h GLU 129 CO -0.76 -0.24 0.58 0.00 -2.18 0.00 0.00 179.01 176.42 1joq h ALA 130 N 0.45 2.36 0.02 2.92 0.00 0.40 0.10 119.26 125.51 1joq h ALA 130 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1joq h ALA 130 Cb 0.39 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1joq h ALA 130 CO -0.10 -0.88 -0.01 0.37 0.00 0.00 0.00 179.25 178.62 1joq h GLN 131 N 0.00 -0.03 0.00 0.00 4.15 -0.26 -2.67 115.11 116.31 1joq h GLN 131 Ca 0.28 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.70 1joq h GLN 131 Cb 1.44 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.14 1joq h GLN 131 CO -0.00 0.49 0.00 0.00 -1.93 0.00 0.00 178.83 177.39 1joq n ALA 132 N -2.38 1.46 0.02 3.38 0.00 0.21 -1.46 120.51 121.75 1joq n ALA 132 Ca -0.09 0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 1joq n ALA 132 Cb 0.27 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.28 1joq n ALA 132 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1joq h LYS 133 N 0.00 -0.16 0.00 0.00 3.64 -0.87 -2.78 116.57 116.39 1joq h LYS 133 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1joq h LYS 133 Cb 0.25 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1joq h LYS 133 CO 0.00 0.25 0.00 1.57 -2.27 0.00 0.00 179.45 179.00 1joq h LYS 134 N -0.95 0.00 -0.03 1.90 2.10 -1.34 -2.51 116.57 115.74 1joq h LYS 134 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1joq h LYS 134 Cb 0.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1joq h LYS 134 CO 0.03 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.87 1joq n GLU 135 N -2.54 1.64 -3.85 0.07 1.02 -0.53 -4.95 120.64 111.49 1joq n GLU 135 Ca 0.03 -0.94 -0.33 0.00 -0.02 0.00 0.00 57.16 55.90 1joq n GLU 135 Cb 0.33 -1.47 0.01 0.00 -0.02 0.00 0.00 31.44 30.29 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 0.14 -0.97 -3.78 3.49 5.02 -0.95 -4.82 118.16 116.29 1joq n LYS 136 Ca 0.19 0.49 -0.35 0.00 -2.02 0.00 0.00 58.31 56.62 1joq n LYS 136 Cb 0.34 -2.81 -0.09 0.00 -0.02 0.00 0.00 35.03 32.46 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 -6.09 4.11 0.00 -0.35 2.01 -1.10 -2.87 118.68 114.39 1joq s LEU 137 Ca 0.26 0.18 0.00 0.00 0.01 0.00 0.00 54.13 54.58 1joq s LEU 137 Cb -0.13 -2.06 0.00 0.00 0.01 0.00 0.00 46.19 44.01 1joq s LEU 137 CO 0.91 0.16 0.00 0.59 1.01 0.00 0.00 176.35 179.03 1joq n ASN 138 N 3.62 0.00 0.44 2.29 3.02 -1.26 -1.69 115.26 121.69 1joq n ASN 138 Ca -0.16 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.20 1joq n ASN 138 Cb 0.52 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.60 1joq n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1joq h ILE 139 N 0.00 0.16 0.00 2.41 2.04 -1.75 -1.79 117.51 118.58 1joq h ILE 139 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1joq h ILE 139 Cb 0.00 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1joq h ILE 139 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 178.15 178.94 1joq n TRP 140 N -5.55 0.00 0.22 1.37 7.02 -0.68 -2.28 117.44 117.55 1joq n TRP 140 Ca -0.15 0.00 0.18 0.00 -1.02 0.00 0.00 57.50 56.51 1joq n TRP 140 Cb 0.44 -0.47 0.85 0.00 -2.42 0.00 0.00 31.31 29.72 1joq n TRP 140 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1joq h SER 141 N 0.00 0.00 -1.14 -0.99 0.87 -1.17 -3.37 113.55 107.75 1joq h SER 141 Ca 0.00 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 59.95 1joq h SER 141 Cb 0.11 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 61.97 1joq h SER 141 CO 0.00 0.00 -0.48 -1.83 -0.53 0.00 0.00 176.83 173.99 1joq s GLU 142 N -4.51 2.18 0.49 2.24 -1.05 -0.96 -4.90 118.70 112.19 1joq s GLU 142 Ca -0.04 -2.05 0.09 0.00 -0.15 0.00 0.00 54.97 52.82 1joq s GLU 142 Cb 0.14 -1.85 0.04 0.00 -0.44 0.00 0.00 34.13 32.03 1joq s GLU 142 CO 0.50 -0.25 0.66 0.34 0.95 0.00 0.00 175.26 177.45 1joq s ASP 143 N -3.94 5.34 0.41 0.83 2.15 -1.26 -5.05 116.67 115.15 1joq s ASP 143 Ca 0.31 -0.66 -0.27 0.00 0.43 0.00 0.00 52.55 52.36 1joq s ASP 143 Cb 0.03 -0.18 -0.09 0.00 -0.30 0.00 0.00 42.92 42.38 1joq s ASP 143 CO 0.17 -1.03 1.40 0.54 -0.17 0.00 0.00 175.17 176.08 1joq s ASN 144 N -4.48 6.20 -0.23 -0.34 2.20 -1.26 -5.01 114.94 112.02 1joq s ASN 144 Ca 0.57 2.87 -0.26 0.00 -0.94 0.00 0.00 52.86 55.10 1joq s ASN 144 Cb -0.07 -2.65 0.08 0.00 -2.00 0.00 0.00 41.25 36.61 1joq s ASN 144 CO 0.35 -0.95 0.80 0.00 -2.94 0.00 0.00 177.10 174.36 1joq s ALA 145 N -1.19 -1.83 -0.32 3.54 0.00 -1.26 -5.13 121.76 115.57 1joq s ALA 145 Ca 0.56 1.85 -0.01 0.00 0.00 0.00 0.00 51.96 54.37 1joq s ALA 145 Cb -0.43 -1.01 0.07 0.00 0.00 0.00 0.00 23.12 21.75 1joq s ALA 145 CO 0.56 -0.32 0.03 -0.51 0.00 0.00 0.00 175.76 175.52 1joq s ASP 146 N -0.01 4.88 -0.04 0.00 1.01 -1.26 -4.91 116.67 116.34 1joq s ASP 146 Ca -0.01 -1.53 -0.03 0.00 0.71 0.00 0.00 52.55 51.68 1joq s ASP 146 Cb -0.04 -1.70 0.01 0.00 1.01 0.00 0.00 42.92 42.20 1joq s ASP 146 CO 0.01 -0.32 0.06 -1.20 0.21 0.00 0.00 175.17 173.94 1joq n SER 147 N 4.55 -3.71 0.00 0.27 7.64 -1.26 -4.97 113.62 116.13 1joq n SER 147 Ca -0.09 0.86 0.00 0.00 1.01 0.00 0.00 58.87 60.65 1joq n SER 147 Cb 0.43 -3.25 0.00 0.00 -1.01 0.00 0.00 64.21 60.38 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 0.94 -1.41 0.03 0.23 0.00 -1.26 -5.30 105.19 98.42 1joq n GLY 148 Ca -0.11 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.83 1joq n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93