#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 4.44 -4.74 0.00 -2.24 -1.26 -4.96 114.28 105.52 1joq n THR 2 Ca 0.00 -4.83 -0.24 0.00 -2.27 0.00 0.00 64.05 56.71 1joq n THR 2 Cb 0.00 -2.41 -0.15 0.00 -2.10 0.00 0.00 70.33 65.67 1joq n THR 2 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1joq s SER 3 N 1.54 1.87 -0.24 3.42 0.01 -1.26 -5.03 113.70 114.01 1joq s SER 3 Ca 0.39 -0.29 0.22 0.00 1.31 0.00 0.00 55.95 57.58 1joq s SER 3 Cb 0.01 -0.21 0.49 0.00 0.21 0.00 0.00 66.02 66.52 1joq s SER 3 CO 0.00 0.19 1.16 0.35 0.41 0.00 0.00 173.24 175.36 1joq n THR 4 N 2.66 1.00 -4.15 1.44 -2.24 -1.26 -5.10 114.28 106.63 1joq n THR 4 Ca -0.15 -2.50 -0.07 0.00 -2.27 0.00 0.00 64.05 59.07 1joq n THR 4 Cb 0.54 1.24 -0.01 0.00 -2.10 0.00 0.00 70.33 70.00 1joq n THR 4 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1joq n LYS 5 N -0.59 1.57 -1.23 -0.78 4.81 -1.26 -5.05 118.16 115.63 1joq n LYS 5 Ca 0.04 -0.79 0.00 0.00 -0.87 0.00 0.00 58.31 56.68 1joq n LYS 5 Cb 0.84 0.25 0.00 0.00 0.02 0.00 0.00 35.03 36.14 1joq n LYS 5 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1joq n LYS 6 N -0.26 -2.29 -0.08 1.64 3.00 -1.26 -5.02 118.16 113.89 1joq n LYS 6 Ca -0.04 1.92 -0.01 0.00 -0.00 0.00 0.00 58.31 60.18 1joq n LYS 6 Cb 0.14 -1.86 0.01 0.00 0.00 0.00 0.00 35.03 33.32 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 0.78 0.00 -4.02 3.14 4.77 -1.26 -5.05 117.00 115.36 1joq n LEU 7 Ca 0.00 -0.06 -0.31 0.00 -0.03 0.00 0.00 56.01 55.61 1joq n LEU 7 Cb 0.00 -0.05 -0.16 0.00 -2.33 0.00 0.00 43.42 40.89 1joq n LEU 7 CO 0.00 -0.61 -0.47 -2.28 -1.33 0.00 0.00 177.39 172.70 1joq s HIS 8 N -1.13 2.58 -0.14 -1.77 2.46 -1.26 -5.10 115.29 110.93 1joq s HIS 8 Ca 0.03 -1.70 -0.17 0.00 0.47 0.00 0.00 55.06 53.70 1joq s HIS 8 Cb -0.00 -1.71 -0.04 0.00 -0.13 0.00 0.00 32.58 30.69 1joq s HIS 8 CO 0.02 -0.77 0.41 0.15 -2.47 0.00 0.00 174.74 172.09 1joq s LYS 9 N 1.34 4.31 0.24 2.88 1.02 -1.26 -4.15 119.74 124.12 1joq s LYS 9 Ca -0.02 0.33 0.05 0.00 0.02 0.00 0.00 55.97 56.35 1joq s LYS 9 Cb -0.16 -3.44 -0.05 0.00 -0.52 0.00 0.00 37.83 33.66 1joq s LYS 9 CO -0.08 0.17 -0.04 -1.21 -0.92 0.00 0.00 175.35 173.27 1joq s GLU 10 N 0.61 1.40 0.71 1.68 0.41 -0.70 -4.97 118.70 117.85 1joq s GLU 10 Ca 0.23 -1.70 -0.10 0.00 -0.41 0.00 0.00 54.97 52.99 1joq s GLU 10 Cb -0.14 -0.87 0.04 0.00 -1.78 0.00 0.00 34.13 31.38 1joq s GLU 10 CO 0.08 -0.01 1.07 -1.25 -0.49 0.00 0.00 175.26 174.66 1joq s PRO 11 N -3.78 2.54 0.36 0.39 0.04 -1.26 0.09 135.00 133.38 1joq s PRO 11 Ca 0.27 0.19 -0.03 0.00 0.04 0.00 0.00 61.00 61.48 1joq s PRO 11 Cb 0.04 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1joq s PRO 11 CO 0.09 -1.16 0.51 0.00 0.04 0.00 0.00 177.00 176.49 1joq n ALA 12 N -3.01 -0.42 -3.46 8.56 0.00 -0.65 -4.59 120.51 116.94 1joq n ALA 12 Ca 0.07 -1.64 -0.28 0.00 0.00 0.00 0.00 53.44 51.59 1joq n ALA 12 Cb 0.59 1.32 -0.17 0.00 0.00 0.00 0.00 19.45 21.19 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 -2.79 1.53 -0.58 0.00 2.01 -0.40 -4.77 115.64 110.65 1joq s THR 13 Ca 0.29 -0.70 -0.28 0.00 0.31 0.00 0.00 61.69 61.32 1joq s THR 13 Cb -0.01 -1.37 0.03 0.00 0.01 0.00 0.00 72.50 71.16 1joq s THR 13 CO 0.21 0.45 1.18 -0.22 -0.69 0.00 0.00 174.62 175.54 1joq s LEU 14 N 0.69 3.49 -0.06 4.42 1.98 -1.26 -0.73 118.68 127.20 1joq s LEU 14 Ca -0.13 0.06 -0.05 0.00 -2.89 0.00 0.00 54.13 51.13 1joq s LEU 14 Cb -0.16 -3.13 -0.02 0.00 0.66 0.00 0.00 46.19 43.54 1joq s LEU 14 CO 0.03 -1.47 -0.09 -0.38 -1.89 0.00 0.00 176.35 172.55 1joq n ILE 15 N 6.63 0.59 -3.32 6.68 5.41 -0.50 -4.99 119.36 129.85 1joq n ILE 15 Ca 0.08 0.38 0.00 0.00 1.00 0.00 0.00 62.75 64.21 1joq n ILE 15 Cb 0.49 -1.86 -0.03 0.00 -0.71 0.00 0.00 39.64 37.53 1joq n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1joq s LYS 16 N -1.58 0.52 0.09 0.38 2.47 -0.89 -5.02 119.74 115.71 1joq s LYS 16 Ca -0.08 1.04 -0.31 0.00 -1.56 0.00 0.00 55.97 55.07 1joq s LYS 16 Cb 0.01 0.45 -0.07 0.00 -1.46 0.00 0.00 37.83 36.77 1joq s LYS 16 CO 0.11 -0.51 1.25 0.00 0.16 0.00 0.00 175.35 176.37 1joq s ALA 17 N 2.80 3.45 -0.04 3.13 0.00 -1.26 -1.71 121.76 128.13 1joq s ALA 17 Ca 0.12 0.94 -0.02 0.00 0.00 0.00 0.00 51.96 53.00 1joq s ALA 17 Cb -0.14 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.50 1joq s ALA 17 CO -0.19 -0.48 -0.04 0.82 0.00 0.00 0.00 175.76 175.87 1joq h ILE 18 N 4.35 0.00 -2.56 0.00 2.04 -1.56 -3.47 117.51 116.31 1joq h ILE 18 Ca -0.42 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1joq h ILE 18 Cb 1.21 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1joq h ILE 18 CO 0.82 0.00 0.00 0.47 0.00 0.00 0.00 178.15 179.44 1joq n ASP 19 N -2.88 1.57 -0.18 1.72 8.00 -0.56 -4.98 116.55 119.24 1joq n ASP 19 Ca -0.02 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.62 1joq n ASP 19 Cb 0.06 0.00 0.50 0.00 -0.02 0.00 0.00 41.12 41.67 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 4.11 -0.78 0.00 0.44 0.00 -1.26 -3.86 105.19 103.84 1joq n GLY 20 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.80 0.62 -4.05 1.61 2.03 -1.26 -4.83 116.55 109.87 1joq n ASP 21 Ca 0.13 -0.33 -0.29 0.00 0.52 0.00 0.00 54.79 54.82 1joq n ASP 21 Cb 0.31 0.78 -0.17 0.00 -0.72 0.00 0.00 41.12 41.33 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 -0.90 1.56 -0.05 5.18 2.01 -1.25 -1.90 115.64 120.29 1joq s THR 22 Ca 0.00 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.35 1joq s THR 22 Cb 0.00 -1.44 0.02 0.00 0.01 0.00 0.00 72.50 71.09 1joq s THR 22 CO 0.00 0.46 -0.04 0.68 -0.69 0.00 0.00 174.62 175.03 1joq s VAL 23 N 1.17 0.52 -0.28 3.82 -7.23 -0.96 -1.33 120.40 116.11 1joq s VAL 23 Ca -0.02 -0.09 -0.28 0.00 -1.81 0.00 0.00 61.98 59.79 1joq s VAL 23 Cb -0.14 -0.56 0.01 0.00 0.56 0.00 0.00 36.38 36.24 1joq s VAL 23 CO -0.05 0.23 0.99 -0.54 -0.31 0.00 0.00 175.10 175.42 1joq s LYS 24 N 1.08 4.12 0.32 4.82 1.02 -0.70 -1.73 119.74 128.67 1joq s LYS 24 Ca -0.08 1.06 0.03 0.00 0.02 0.00 0.00 55.97 57.00 1joq s LYS 24 Cb -0.14 -3.69 -0.01 0.00 -0.52 0.00 0.00 37.83 33.46 1joq s LYS 24 CO -0.01 -0.73 0.12 1.28 -0.92 0.00 0.00 175.35 175.09 1joq n LEU 25 N 6.48 0.00 -4.03 3.17 4.77 -0.96 -1.41 117.00 125.01 1joq n LEU 25 Ca 0.10 -2.44 -0.30 0.00 -0.03 0.00 0.00 56.01 53.33 1joq n LEU 25 Cb 0.47 0.82 -0.16 0.00 -2.33 0.00 0.00 43.42 42.22 1joq n LEU 25 CO 0.54 -0.38 -0.49 -0.32 -1.33 0.00 0.00 177.39 175.41 1joq s MET 26 N -3.21 2.35 -0.23 3.23 1.75 0.09 -2.59 119.30 120.70 1joq s MET 26 Ca 0.17 -0.58 -0.03 0.00 -1.25 0.00 0.00 55.69 53.99 1joq s MET 26 Cb 0.01 -2.14 0.00 0.00 2.84 0.00 0.00 34.83 35.54 1joq s MET 26 CO 0.12 -0.23 -0.05 -0.47 -0.65 0.00 0.00 175.02 173.74 1joq s TYR 27 N 1.46 2.97 -2.04 4.11 5.04 -0.62 -1.28 117.35 126.99 1joq s TYR 27 Ca 0.05 -1.09 0.00 0.00 -2.44 0.00 0.00 57.07 53.58 1joq s TYR 27 Cb -0.13 -2.09 0.00 0.00 0.35 0.00 0.00 41.96 40.09 1joq s TYR 27 CO -0.11 -0.60 0.00 1.63 -1.34 0.00 0.00 175.55 175.13 1joq n LYS 28 N 4.77 -1.41 -1.21 4.97 4.76 -1.26 -1.38 118.16 127.39 1joq n LYS 28 Ca -0.18 1.18 0.00 0.00 -2.87 0.00 0.00 58.31 56.44 1joq n LYS 28 Cb 0.50 -5.53 0.00 0.00 -1.84 0.00 0.00 35.03 28.16 1joq n LYS 28 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1joq n GLY 29 N -0.46 1.01 2.97 0.72 0.00 -1.26 -5.07 105.19 103.10 1joq n GLY 29 Ca -0.19 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.82 1.74 -0.23 1.61 -0.44 -0.48 -5.10 119.66 113.94 1joq s GLN 30 Ca 0.00 -0.37 -0.29 0.00 -2.50 0.00 0.00 55.36 52.20 1joq s GLN 30 Cb 0.00 -1.61 -0.01 0.00 -1.64 0.00 0.00 33.01 29.75 1joq s GLN 30 CO 0.00 -0.14 1.36 -1.25 0.50 0.00 0.00 175.29 175.76 1joq s PRO 31 N 1.25 4.01 0.01 1.67 0.04 -1.26 -1.59 135.00 139.12 1joq s PRO 31 Ca -0.03 1.49 -0.17 0.00 0.04 0.00 0.00 61.00 62.33 1joq s PRO 31 Cb -0.14 -3.87 0.03 0.00 0.04 0.00 0.00 34.50 30.56 1joq s PRO 31 CO -0.04 -1.01 0.38 -1.64 0.04 0.00 0.00 177.00 174.73 1joq s MET 32 N 4.04 0.80 -0.29 4.56 -1.94 -1.07 -5.02 119.30 120.38 1joq s MET 32 Ca 0.59 -0.24 -0.16 0.00 -1.71 0.00 0.00 55.69 54.17 1joq s MET 32 Cb -0.20 0.36 -0.03 0.00 2.01 0.00 0.00 34.83 36.97 1joq s MET 32 CO 0.22 -0.25 0.44 0.99 -0.01 0.00 0.00 175.02 176.42 1joq s THR 33 N -1.81 5.11 0.09 2.05 2.01 -1.26 -2.28 115.64 119.54 1joq s THR 33 Ca -0.10 0.58 -0.20 0.00 0.31 0.00 0.00 61.69 62.29 1joq s THR 33 Cb -0.03 -3.80 -0.07 0.00 0.01 0.00 0.00 72.50 68.61 1joq s THR 33 CO 0.02 0.04 0.59 -0.36 -0.69 0.00 0.00 174.62 174.22 1joq s PHE 34 N 2.21 3.80 -0.15 4.92 0.40 -0.71 -1.04 117.98 127.42 1joq s PHE 34 Ca 0.17 1.30 0.02 0.00 -0.60 0.00 0.00 56.93 57.82 1joq s PHE 34 Cb -0.16 -2.52 0.01 0.00 0.51 0.00 0.00 43.02 40.86 1joq s PHE 34 CO 0.11 0.57 -0.20 0.50 0.70 0.00 0.00 175.22 176.89 1joq s ARG 35 N -1.17 3.07 0.15 0.44 6.06 -0.95 -2.26 118.95 124.28 1joq s ARG 35 Ca 0.30 -0.83 -0.34 0.00 -2.50 0.00 0.00 55.73 52.37 1joq s ARG 35 Cb -0.20 -2.49 -0.16 0.00 0.06 0.00 0.00 34.95 32.17 1joq s ARG 35 CO 0.20 -0.02 1.28 1.28 -2.50 0.00 0.00 175.30 175.53 1joq n LEU 36 N 4.11 1.86 -4.90 -0.88 4.77 -0.80 -4.15 117.00 117.00 1joq n LEU 36 Ca -0.20 1.13 -0.29 0.00 -0.03 0.00 0.00 56.01 56.63 1joq n LEU 36 Cb 0.51 -1.25 -0.03 0.00 -2.33 0.00 0.00 43.42 40.33 1joq n LEU 36 CO 0.27 -1.05 0.28 -0.76 -1.33 0.00 0.00 177.39 174.80 1joq s LEU 37 N 0.56 3.96 0.00 2.23 1.43 -1.24 -4.62 118.68 121.00 1joq s LEU 37 Ca 0.77 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 54.69 1joq s LEU 37 Cb -0.85 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 41.70 1joq s LEU 37 CO 0.49 -0.29 0.00 0.18 0.23 0.00 0.00 176.35 176.96 1joq n LEU 38 N -1.20 0.00 -4.83 1.79 4.77 -1.26 -4.84 117.00 111.43 1joq n LEU 38 Ca -0.01 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.67 1joq n LEU 38 Cb 0.54 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.70 1joq n LEU 38 CO 0.48 0.00 0.72 0.68 -1.33 0.00 0.00 177.39 177.94 1joq s VAL 39 N 0.00 3.40 -0.30 4.08 -7.23 -1.26 -1.57 120.40 117.53 1joq s VAL 39 Ca 0.00 0.46 -0.13 0.00 -1.81 0.00 0.00 61.98 60.50 1joq s VAL 39 Cb 0.00 -3.27 0.13 0.00 0.56 0.00 0.00 36.38 33.80 1joq s VAL 39 CO 0.00 -0.60 0.75 -0.62 -0.31 0.00 0.00 175.10 174.32 1joq s ASP 40 N -4.00 -0.95 0.96 4.85 2.15 -0.70 -4.80 116.67 114.18 1joq s ASP 40 Ca 0.59 1.36 -0.16 0.00 0.43 0.00 0.00 52.55 54.77 1joq s ASP 40 Cb -0.13 1.93 -0.12 0.00 -0.30 0.00 0.00 42.92 44.29 1joq s ASP 40 CO 0.54 -0.20 -0.59 0.35 -0.17 0.00 0.00 175.17 175.10 1joq n THR 41 N 5.01 0.03 -0.01 1.71 -2.24 -1.26 -2.13 114.28 115.38 1joq n THR 41 Ca -0.13 -0.46 -0.17 0.00 -2.27 0.00 0.00 64.05 61.02 1joq n THR 41 Cb 0.52 -0.10 -0.09 0.00 -2.10 0.00 0.00 70.33 68.56 1joq n THR 41 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1joq h PRO 42 N -1.02 0.52 -3.56 -0.78 0.13 -1.94 -3.43 132.00 121.92 1joq h PRO 42 Ca -0.44 -0.47 -0.13 0.00 -0.87 0.00 0.00 66.00 64.09 1joq h PRO 42 Cb 1.31 0.11 -0.19 0.00 0.13 0.00 0.00 31.00 32.36 1joq h PRO 42 CO 0.26 1.11 -0.46 -2.00 -0.23 0.00 0.00 178.00 176.68 1joq s GLU 43 N -3.50 0.58 -0.40 0.86 -6.30 -1.26 -5.07 118.70 103.61 1joq s GLU 43 Ca -0.12 -0.53 0.07 0.00 -2.50 0.00 0.00 54.97 51.88 1joq s GLU 43 Cb 0.05 0.24 0.32 0.00 0.00 0.00 0.00 34.13 34.74 1joq s GLU 43 CO 0.84 -0.15 1.27 0.25 0.02 0.00 0.00 175.26 177.49 1joq n THR 44 N 1.07 0.00 -1.92 -1.70 -2.24 -1.26 -4.98 114.28 103.24 1joq n THR 44 Ca -0.21 -1.34 -0.16 0.00 -2.27 0.00 0.00 64.05 60.07 1joq n THR 44 Cb 0.57 1.04 0.07 0.00 -2.10 0.00 0.00 70.33 69.91 1joq n THR 44 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1joq n LYS 45 N -0.34 3.10 -1.65 -0.78 4.81 -1.26 -5.04 118.16 117.00 1joq n LYS 45 Ca -0.05 -3.95 -0.43 0.00 -0.87 0.00 0.00 58.31 53.02 1joq n LYS 45 Cb 0.79 -2.11 -0.03 0.00 0.02 0.00 0.00 35.03 33.70 1joq n LYS 45 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1joq n HIS 46 N -0.81 2.44 -0.03 5.64 8.25 -1.26 -4.87 115.22 124.59 1joq n HIS 46 Ca 0.38 -0.33 -0.13 0.00 -0.26 0.00 0.00 57.72 57.38 1joq n HIS 46 Cb 0.90 -2.79 -0.11 0.00 1.12 0.00 0.00 29.99 29.11 1joq n HIS 46 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1joq h PRO 47 N 10.99 -0.03 0.00 -0.41 0.13 -1.97 -3.47 132.00 137.24 1joq h PRO 47 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1joq h PRO 47 Cb 1.24 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1joq h PRO 47 CO 0.94 0.65 0.00 1.17 -0.23 0.00 0.00 178.00 180.54 1joq n LYS 48 N -4.76 0.00 -1.06 0.86 3.00 -1.26 -4.93 118.16 110.00 1joq n LYS 48 Ca -0.09 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.07 1joq n LYS 48 Cb 0.34 0.00 0.20 0.00 0.00 0.00 0.00 35.03 35.57 1joq n LYS 48 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1joq n LYS 49 N -1.62 2.28 0.00 1.64 2.85 -1.26 -5.06 118.16 116.99 1joq n LYS 49 Ca 0.00 -3.07 0.00 0.00 -1.05 0.00 0.00 58.31 54.19 1joq n LYS 49 Cb 0.00 -2.06 0.00 0.00 -0.65 0.00 0.00 35.03 32.32 1joq n LYS 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1joq n GLY 50 N -1.03 -1.28 0.00 2.58 0.00 -1.26 -4.99 105.19 99.21 1joq n GLY 50 Ca 0.49 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.23 0.00 -3.61 1.61 0.31 -1.26 -4.39 118.33 110.76 1joq n VAL 51 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1joq n VAL 51 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 1joq n VAL 51 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1joq s GLU 52 N 0.21 0.22 -0.35 5.55 -1.05 -1.26 -4.94 118.70 117.09 1joq s GLU 52 Ca 0.00 -0.10 -0.08 0.00 -0.15 0.00 0.00 54.97 54.64 1joq s GLU 52 Cb 0.00 0.09 0.01 0.00 -0.44 0.00 0.00 34.13 33.79 1joq s GLU 52 CO 0.00 -0.10 0.31 1.17 0.95 0.00 0.00 175.26 177.59 1joq n LYS 53 N -0.23 -2.65 -2.20 -4.83 0.00 -1.26 -2.92 118.16 104.07 1joq n LYS 53 Ca -0.02 2.27 -0.07 0.00 0.00 0.00 0.00 58.31 60.49 1joq n LYS 53 Cb 0.60 -5.22 -0.01 0.00 0.00 0.00 0.00 35.03 30.40 1joq n LYS 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1joq n TYR 54 N 0.11 -1.45 0.00 5.64 4.01 -1.26 -4.85 117.16 119.36 1joq n TYR 54 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1joq n TYR 54 Cb 0.24 -1.98 0.00 0.00 -0.31 0.00 0.00 39.34 37.29 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 -0.56 -0.76 3.56 2.72 0.00 -1.15 -3.94 105.19 105.05 1joq n GLY 55 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 3.24 0.00 1.61 0.04 -1.26 -4.50 135.00 134.13 1joq s PRO 56 Ca 0.00 -0.76 0.00 0.00 0.04 0.00 0.00 61.00 60.28 1joq s PRO 56 Cb 0.00 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.39 1joq s PRO 56 CO 0.00 -2.54 0.00 -1.91 0.04 0.00 0.00 177.00 172.59 1joq n GLU 57 N 8.93 0.00 -0.29 4.56 2.13 -1.25 -4.91 120.64 129.81 1joq n GLU 57 Ca 0.32 0.00 0.11 0.00 0.66 0.00 0.00 57.16 58.25 1joq n GLU 57 Cb 0.50 0.00 0.27 0.00 0.27 0.00 0.00 31.44 32.48 1joq n GLU 57 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1joq h ALA 58 N 0.13 1.31 -0.56 4.31 0.00 -1.81 -0.65 119.26 122.00 1joq h ALA 58 Ca 0.00 0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1joq h ALA 58 Cb 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 17.85 1joq h ALA 58 CO 0.00 -0.32 -0.46 0.66 0.00 0.00 0.00 179.25 179.13 1joq h SER 59 N 0.38 -1.57 -0.36 0.00 4.64 -1.87 0.50 113.55 115.28 1joq h SER 59 Ca 0.52 0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 62.07 1joq h SER 59 Cb 0.95 0.70 -0.02 0.00 -0.31 0.00 0.00 62.40 63.72 1joq h SER 59 CO -0.52 -0.35 0.18 0.00 -0.87 0.00 0.00 176.83 175.28 1joq h ALA 60 N 0.50 1.58 0.01 5.18 0.00 -1.50 -1.55 119.26 123.48 1joq h ALA 60 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1joq h ALA 60 Cb 0.57 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1joq h ALA 60 CO -0.68 0.34 -0.08 0.35 0.00 0.00 0.00 179.25 179.19 1joq h PHE 61 N 0.55 -0.23 0.00 0.00 3.04 0.79 0.10 116.94 121.19 1joq h PHE 61 Ca 0.14 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.10 1joq h PHE 61 Cb 0.07 0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.68 1joq h PHE 61 CO 0.00 -0.09 0.00 1.15 -2.02 0.00 0.00 178.31 177.36 1joq h THR 62 N -0.10 0.00 0.00 4.41 2.02 -1.34 -2.31 112.91 115.58 1joq h THR 62 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1joq h THR 62 Cb 0.11 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1joq h THR 62 CO -0.05 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.01 1joq n LYS 63 N -2.32 0.00 0.18 6.66 4.81 0.22 -2.33 118.16 125.38 1joq n LYS 63 Ca -0.00 0.26 0.16 0.00 -0.87 0.00 0.00 58.31 57.85 1joq n LYS 63 Cb 0.12 -1.05 0.77 0.00 0.02 0.00 0.00 35.03 34.89 1joq n LYS 63 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1joq h LYS 64 N 0.00 0.00 0.00 1.64 1.57 -1.24 -0.78 116.57 117.76 1joq h LYS 64 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1joq h LYS 64 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1joq h LYS 64 CO 0.00 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.55 1joq n MET 65 N -4.08 0.00 0.24 3.15 2.81 -0.87 -1.23 117.12 117.14 1joq n MET 65 Ca 0.02 0.38 0.16 0.00 -1.81 0.00 0.00 57.70 56.46 1joq n MET 65 Cb 0.31 -1.38 0.86 0.00 -0.71 0.00 0.00 33.22 32.30 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 0.00 -0.00 2.03 -1.51 -1.36 0.12 116.25 115.53 1joq h VAL 66 Ca 0.00 -0.03 -0.16 0.00 -1.23 0.00 0.00 66.70 65.27 1joq h VAL 66 Cb 0.00 0.77 -0.02 0.00 -2.13 0.00 0.00 31.29 29.91 1joq h VAL 66 CO 0.00 0.00 -0.76 -0.33 -1.23 0.00 0.00 177.57 175.25 1joq h GLU 67 N 0.00 0.05 -0.01 5.19 5.08 -0.80 -3.21 114.58 120.87 1joq h GLU 67 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1joq h GLU 67 Cb 0.04 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1joq h GLU 67 CO 0.00 0.78 -0.23 0.09 -1.00 0.00 0.00 179.01 178.65 1joq n ASN 68 N -3.67 1.71 -4.66 1.42 3.02 -0.36 -4.96 115.26 107.76 1joq n ASN 68 Ca -0.01 -1.35 -0.42 0.00 -0.03 0.00 0.00 54.58 52.76 1joq n ASN 68 Cb 0.73 0.35 -0.03 0.00 -0.61 0.00 0.00 39.78 40.23 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 -1.65 3.59 0.26 5.41 0.00 -0.11 -4.85 121.76 124.43 1joq s ALA 69 Ca 0.13 1.22 0.15 0.00 0.00 0.00 0.00 51.96 53.47 1joq s ALA 69 Cb 0.12 -3.82 0.64 0.00 0.00 0.00 0.00 23.12 20.06 1joq s ALA 69 CO 0.32 -1.52 1.74 0.87 0.00 0.00 0.00 175.76 177.18 1joq h LYS 70 N 10.26 0.00 -3.31 0.00 1.57 -1.91 -3.43 116.57 119.75 1joq h LYS 70 Ca -0.47 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.07 1joq h LYS 70 Cb 1.22 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.22 1joq h LYS 70 CO 0.94 0.43 -0.61 0.15 -0.57 0.00 0.00 179.45 179.80 1joq s LYS 71 N -3.78 0.08 -0.13 3.15 1.02 -1.26 -5.04 119.74 113.78 1joq s LYS 71 Ca -0.01 0.32 0.02 0.00 0.02 0.00 0.00 55.97 56.32 1joq s LYS 71 Cb 0.12 -0.16 0.01 0.00 -0.52 0.00 0.00 37.83 37.29 1joq s LYS 71 CO 0.71 -0.15 -0.19 0.42 -0.92 0.00 0.00 175.35 175.23 1joq s ILE 72 N 1.02 1.82 -0.08 2.17 1.01 -1.26 -2.66 121.20 123.23 1joq s ILE 72 Ca -0.08 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.75 1joq s ILE 72 Cb -0.10 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 40.75 1joq s ILE 72 CO -0.05 0.50 -0.11 -1.61 0.00 0.00 0.00 174.94 173.68 1joq s GLU 73 N 0.96 1.61 0.45 2.79 8.01 -1.00 -1.64 118.70 129.88 1joq s GLU 73 Ca -0.05 -0.35 -0.06 0.00 0.01 0.00 0.00 54.97 54.51 1joq s GLU 73 Cb -0.15 -1.43 -0.04 0.00 -4.31 0.00 0.00 34.13 28.20 1joq s GLU 73 CO -0.03 -0.06 0.76 0.14 0.01 0.00 0.00 175.26 176.07 1joq s VAL 74 N 0.97 4.89 -0.45 2.63 -7.23 0.11 -1.34 120.40 119.99 1joq s VAL 74 Ca -0.09 0.28 0.03 0.00 -1.81 0.00 0.00 61.98 60.39 1joq s VAL 74 Cb -0.15 -3.82 0.16 0.00 0.56 0.00 0.00 36.38 33.12 1joq s VAL 74 CO 0.00 -0.73 0.32 -0.70 -0.31 0.00 0.00 175.10 173.68 1joq s GLU 75 N -4.43 1.17 0.43 4.82 2.12 0.45 -1.71 118.70 121.55 1joq s GLU 75 Ca 0.48 -2.13 -0.24 0.00 0.36 0.00 0.00 54.97 53.44 1joq s GLU 75 Cb -0.10 -1.92 -0.10 0.00 0.26 0.00 0.00 34.13 32.26 1joq s GLU 75 CO 0.40 -1.28 1.04 1.19 -0.54 0.00 0.00 175.26 176.06 1joq n PHE 76 N 3.10 1.26 -1.62 5.30 3.72 -1.26 -1.62 117.46 126.35 1joq n PHE 76 Ca 0.20 0.54 0.00 0.00 -0.05 0.00 0.00 57.45 58.14 1joq n PHE 76 Cb 0.41 -2.24 0.00 0.00 -0.94 0.00 0.00 39.48 36.71 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 0.39 0.00 0.13 4.37 2.03 -1.26 -4.54 116.55 117.67 1joq n ASP 77 Ca 0.09 -0.98 0.11 0.00 0.52 0.00 0.00 54.79 54.54 1joq n ASP 77 Cb 0.40 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.84 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 -0.00 -1.94 -3.46 116.57 110.50 1joq h LYS 78 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1joq h LYS 78 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1joq h LYS 78 CO 0.00 0.01 0.00 0.41 -0.00 0.00 0.00 179.45 179.87 1joq n GLY 79 N 1.16 -0.93 3.75 0.07 0.00 -1.26 -4.93 105.19 103.05 1joq n GLY 79 Ca 0.01 -1.17 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 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 4.80 0.00 1.61 -1.52 -1.26 -4.92 119.66 118.37 1joq s GLN 80 Ca 0.00 1.54 0.14 0.00 -1.95 0.00 0.00 55.36 55.09 1joq s GLN 80 Cb 0.00 -3.28 0.60 0.00 -0.22 0.00 0.00 33.01 30.11 1joq s GLN 80 CO 0.00 0.42 1.42 0.54 -0.25 0.00 0.00 175.29 177.42 1joq n ARG 81 N 1.68 1.44 -3.86 2.91 1.74 -1.26 -4.70 116.66 114.60 1joq n ARG 81 Ca -0.01 -0.67 -0.09 0.00 -0.77 0.00 0.00 57.85 56.31 1joq n ARG 81 Cb 0.47 -1.27 -0.07 0.00 -1.02 0.00 0.00 32.46 30.57 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 -1.82 0.14 0.00 0.55 -4.23 -1.26 -1.63 115.64 107.40 1joq s THR 82 Ca 0.23 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 1joq s THR 82 Cb 0.12 -1.35 0.00 0.00 1.34 0.00 0.00 72.50 72.61 1joq s THR 82 CO 0.18 -0.65 0.00 -0.67 -0.54 0.00 0.00 174.62 172.94 1joq n ASP 83 N -0.06 0.79 0.05 3.99 -0.08 -0.69 -4.80 116.55 115.76 1joq n ASP 83 Ca -0.15 -0.03 -0.08 0.00 -1.51 0.00 0.00 54.79 53.02 1joq n ASP 83 Cb 0.62 0.00 0.07 0.00 2.34 0.00 0.00 41.12 44.15 1joq n ASP 83 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1joq h LYS 84 N 0.00 0.39 -0.04 -0.67 1.57 -2.03 -2.57 116.57 113.22 1joq h LYS 84 Ca 0.00 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 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 0.89 0.00 0.66 -0.57 0.00 0.00 179.45 180.43 1joq n TYR 85 N -3.89 0.06 -0.95 -1.35 4.02 -1.26 -4.83 117.16 108.96 1joq n TYR 85 Ca -0.03 -0.03 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 1joq n TYR 85 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.96 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 0.74 0.55 3.77 2.72 0.00 -0.97 -4.98 105.19 107.02 1joq n GLY 86 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.36 3.84 -0.29 1.61 0.52 -1.26 -4.60 118.95 118.41 1joq s ARG 87 Ca 0.00 2.21 -0.29 0.00 -0.52 0.00 0.00 55.73 57.13 1joq s ARG 87 Cb 0.00 -2.69 -0.00 0.00 0.52 0.00 0.00 34.95 32.78 1joq s ARG 87 CO 0.00 -0.62 1.30 0.20 0.02 0.00 0.00 175.30 176.20 1joq s GLY 88 N -0.72 1.41 -0.23 -3.53 0.00 -0.21 -1.70 107.32 102.34 1joq s GLY 88 Ca 0.59 0.14 -0.18 0.00 0.00 0.00 0.00 44.72 45.27 1joq s GLY 88 CO 0.50 2.58 0.49 1.08 0.00 0.00 0.00 173.10 177.76 1joq s LEU 89 N 4.31 4.10 0.00 0.66 1.43 -0.64 -2.24 118.68 126.29 1joq s LEU 89 Ca 0.56 0.57 -0.16 0.00 -1.03 0.00 0.00 54.13 54.07 1joq s LEU 89 Cb -0.17 -2.65 0.06 0.00 0.03 0.00 0.00 46.19 43.46 1joq s LEU 89 CO 0.22 -0.21 0.75 0.00 0.23 0.00 0.00 176.35 177.34 1joq n ALA 90 N 5.11 -2.01 -3.29 4.21 0.00 -1.26 -4.22 120.51 119.04 1joq n ALA 90 Ca -0.05 -0.66 -0.37 0.00 0.00 0.00 0.00 53.44 52.36 1joq n ALA 90 Cb 0.50 0.32 -0.13 0.00 0.00 0.00 0.00 19.45 20.14 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 -3.07 3.16 0.34 0.00 2.02 -0.64 -3.73 117.35 115.42 1joq s TYR 91 Ca 0.17 -1.20 -0.26 0.00 -0.37 0.00 0.00 57.07 55.41 1joq s TYR 91 Cb -0.02 -2.22 -0.10 0.00 -0.40 0.00 0.00 41.96 39.22 1joq s TYR 91 CO 0.03 -0.64 0.96 0.42 -1.57 0.00 0.00 175.55 174.74 1joq s ILE 92 N 1.44 4.16 -0.10 2.71 1.01 -1.26 -0.41 121.20 128.75 1joq s ILE 92 Ca 0.01 1.75 -0.00 0.00 0.00 0.00 0.00 60.65 62.40 1joq s ILE 92 Cb -0.18 -3.95 0.02 0.00 0.01 0.00 0.00 42.46 38.37 1joq s ILE 92 CO 0.01 0.10 -0.06 -0.31 0.00 0.00 0.00 174.94 174.68 1joq s TYR 93 N -1.65 1.27 -0.21 3.97 1.51 -0.45 -1.90 117.35 119.89 1joq s TYR 93 Ca 0.52 -0.58 -0.05 0.00 -1.01 0.00 0.00 57.07 55.94 1joq s TYR 93 Cb -0.18 -1.11 -0.02 0.00 -0.11 0.00 0.00 41.96 40.53 1joq s TYR 93 CO 0.24 -0.45 0.01 0.00 -1.11 0.00 0.00 175.55 174.23 1joq s ALA 94 N 1.69 3.04 -1.12 3.71 0.00 0.10 -2.37 121.76 126.81 1joq s ALA 94 Ca 0.03 -1.02 -0.06 0.00 0.00 0.00 0.00 51.96 50.91 1joq s ALA 94 Cb -0.13 -1.81 0.01 0.00 0.00 0.00 0.00 23.12 21.19 1joq s ALA 94 CO -0.07 -0.22 0.82 -0.25 0.00 0.00 0.00 175.76 176.05 1joq n ASP 95 N 4.38 -5.41 -0.43 0.00 9.92 -1.09 -1.57 116.55 122.35 1joq n ASP 95 Ca -0.17 -0.38 -0.06 0.00 -0.53 0.00 0.00 54.79 53.66 1joq n ASP 95 Cb 0.52 -4.07 -0.02 0.00 -0.64 0.00 0.00 41.12 36.90 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 -1.62 0.72 3.51 0.44 0.00 -1.26 -4.98 105.19 102.00 1joq n GLY 96 Ca -0.02 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.02 1.78 -0.23 1.61 2.20 -0.61 -5.10 119.74 117.38 1joq s LYS 97 Ca 0.00 -1.76 -0.23 0.00 -0.36 0.00 0.00 55.97 53.62 1joq s LYS 97 Cb 0.00 -1.81 -0.01 0.00 -1.51 0.00 0.00 37.83 34.50 1joq s LYS 97 CO 0.00 0.30 0.75 1.41 -0.36 0.00 0.00 175.35 177.45 1joq s MET 98 N -3.55 4.19 0.14 4.03 -2.45 -1.26 0.02 119.30 120.41 1joq s MET 98 Ca 0.31 0.81 -0.13 0.00 -1.25 0.00 0.00 55.69 55.42 1joq s MET 98 Cb -0.04 -3.63 0.00 0.00 1.25 0.00 0.00 34.83 32.42 1joq s MET 98 CO 0.16 -0.42 1.59 0.28 1.05 0.00 0.00 175.02 177.68 1joq h VAL 99 N 5.35 1.26 -0.84 10.11 2.07 -1.72 -2.04 116.25 130.45 1joq h VAL 99 Ca -0.26 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.19 1joq h VAL 99 Cb 1.11 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 1joq h VAL 99 CO 0.83 0.37 0.52 0.78 0.02 0.00 0.00 177.57 180.08 1joq h ASN 100 N 0.66 1.00 -0.34 0.57 4.21 -1.92 -1.17 115.58 118.58 1joq h ASN 100 Ca 0.13 -0.06 -0.03 0.00 1.21 0.00 0.00 56.30 57.55 1joq h ASN 100 Cb 0.51 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.44 1joq h ASN 100 CO 0.02 0.76 0.12 -0.08 -1.29 0.00 0.00 177.43 176.96 1joq h GLU 101 N 1.15 0.60 -0.40 0.81 4.81 -1.87 -1.86 114.58 117.82 1joq h GLU 101 Ca 0.30 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1joq h GLU 101 Cb -0.07 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 1joq h GLU 101 CO -0.06 0.54 0.14 0.00 -0.73 0.00 0.00 179.01 178.90 1joq h ALA 102 N 1.54 0.52 -0.58 2.92 0.00 -0.51 0.08 119.26 123.22 1joq h ALA 102 Ca 0.14 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1joq h ALA 102 Cb 0.20 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1joq h ALA 102 CO -0.01 0.14 0.37 -0.07 0.00 0.00 0.00 179.25 179.68 1joq h LEU 103 N 0.50 0.61 -1.60 0.00 3.38 -0.77 -0.23 115.31 117.19 1joq h LEU 103 Ca 0.13 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1joq h LEU 103 Cb 0.23 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1joq h LEU 103 CO -0.01 0.43 -0.22 0.58 0.09 0.00 0.00 178.44 179.32 1joq h VAL 104 N 0.73 0.95 -0.01 1.22 2.07 -0.99 -1.30 116.25 118.91 1joq h VAL 104 Ca 0.23 -0.80 -0.09 0.00 0.82 0.00 0.00 66.70 66.85 1joq h VAL 104 Cb -0.02 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1joq h VAL 104 CO -0.08 0.21 -0.42 -0.09 0.02 0.00 0.00 177.57 177.21 1joq h ARG 105 N 0.00 0.03 -0.57 1.57 2.43 0.81 -2.40 114.38 116.25 1joq h ARG 105 Ca -0.00 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1joq h ARG 105 Cb 0.44 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1joq h ARG 105 CO 0.03 0.44 0.06 0.94 -1.51 0.00 0.00 179.97 179.93 1joq n GLN 106 N -4.04 4.34 -4.01 0.20 -0.06 -0.65 -4.88 117.38 108.29 1joq n GLN 106 Ca -0.02 -3.11 -0.36 0.00 -2.00 0.00 0.00 57.00 51.51 1joq n GLN 106 Cb 0.45 -2.20 -0.01 0.00 -4.06 0.00 0.00 30.24 24.43 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 0.26 -0.60 0.00 1.69 0.00 -0.90 -4.50 105.19 101.13 1joq n GLY 107 Ca 0.30 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -4.63 1.01 -3.77 0.99 4.77 -0.59 -3.25 117.00 111.54 1joq n LEU 108 Ca -0.19 -1.01 -0.13 0.00 -0.03 0.00 0.00 56.01 54.65 1joq n LEU 108 Cb 0.62 -0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.58 1joq n LEU 108 CO 0.75 0.25 -0.18 0.00 -1.33 0.00 0.00 177.39 176.88 1joq s ALA 109 N -0.01 -0.39 0.02 -1.18 0.00 -1.26 -3.91 121.76 115.03 1joq s ALA 109 Ca 0.00 0.66 -0.03 0.00 0.00 0.00 0.00 51.96 52.59 1joq s ALA 109 Cb 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1joq s ALA 109 CO 0.00 -0.13 0.22 0.15 0.00 0.00 0.00 175.76 176.00 1joq s LYS 110 N 0.72 3.49 0.08 0.00 1.02 -0.91 -4.70 119.74 119.44 1joq s LYS 110 Ca -0.05 -0.26 -0.31 0.00 0.02 0.00 0.00 55.97 55.37 1joq s LYS 110 Cb -0.07 -3.06 -0.07 0.00 -0.52 0.00 0.00 37.83 34.11 1joq s LYS 110 CO -0.04 0.64 1.36 0.08 -0.92 0.00 0.00 175.35 176.47 1joq s VAL 111 N -1.37 3.53 0.08 3.17 1.01 -1.26 -1.72 120.40 123.83 1joq s VAL 111 Ca 0.30 1.07 -0.04 0.00 0.00 0.00 0.00 61.98 63.30 1joq s VAL 111 Cb -0.13 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.58 1joq s VAL 111 CO 0.20 0.06 0.22 0.00 0.00 0.00 0.00 175.10 175.58 1joq n ALA 112 N 4.30 -0.53 -3.23 5.51 0.00 -0.61 -4.95 120.51 121.00 1joq n ALA 112 Ca 0.11 -0.29 -0.23 0.00 0.00 0.00 0.00 53.44 53.03 1joq n ALA 112 Cb 0.43 0.21 0.02 0.00 0.00 0.00 0.00 19.45 20.12 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 -0.15 -3.00 -3.83 0.00 4.01 -1.26 -4.37 117.16 108.56 1joq n TYR 113 Ca -0.02 1.22 -0.34 0.00 -0.16 0.00 0.00 57.90 58.61 1joq n TYR 113 Cb 0.15 -2.97 -0.12 0.00 -0.31 0.00 0.00 39.34 36.09 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 -2.16 3.16 -0.12 -0.72 1.01 -1.26 -4.29 120.40 116.02 1joq s VAL 114 Ca 0.27 -2.83 0.03 0.00 0.00 0.00 0.00 61.98 59.45 1joq s VAL 114 Cb -0.05 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.20 1joq s VAL 114 CO 0.83 -0.79 -0.21 -0.31 0.00 0.00 0.00 175.10 174.61 1joq s TYR 115 N 0.19 2.45 0.57 5.22 2.02 -1.26 -5.08 117.35 121.48 1joq s TYR 115 Ca 0.15 -1.13 -0.12 0.00 -0.37 0.00 0.00 57.07 55.60 1joq s TYR 115 Cb -0.22 -1.68 -0.05 0.00 -0.40 0.00 0.00 41.96 39.61 1joq s TYR 115 CO -0.03 -0.50 0.99 0.15 -1.57 0.00 0.00 175.55 174.58 1joq s LYS 116 N 0.66 3.69 0.00 -0.62 1.02 -1.26 -0.86 119.74 122.37 1joq s LYS 116 Ca -0.12 0.74 0.27 0.00 0.02 0.00 0.00 55.97 56.88 1joq s LYS 116 Cb -0.16 -2.13 1.60 0.00 -0.52 0.00 0.00 37.83 36.61 1joq s LYS 116 CO 0.02 -0.44 1.95 -0.35 -0.92 0.00 0.00 175.35 175.61 1joq n PRO 117 N -2.37 0.84 -1.56 -1.68 -0.04 -1.26 -5.01 135.00 123.92 1joq n PRO 117 Ca 0.06 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.38 1joq n PRO 117 Cb 0.54 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.00 1.70 -0.59 3.54 3.02 -0.04 -4.16 115.26 117.73 1joq n ASN 118 Ca 0.20 -1.61 -0.02 0.00 -0.03 0.00 0.00 54.58 53.12 1joq n ASN 118 Cb 0.09 -1.66 -0.02 0.00 -0.61 0.00 0.00 39.78 37.58 1joq n ASN 118 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1joq n ASN 119 N 18.77 -0.30 -0.06 6.41 5.15 -1.26 -3.98 115.26 139.99 1joq n ASN 119 Ca 0.46 -1.12 -0.09 0.00 -0.60 0.00 0.00 54.58 53.23 1joq n ASN 119 Cb 0.43 0.09 -0.02 0.00 -0.53 0.00 0.00 39.78 39.75 1joq n ASN 119 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1joq h THR 120 N 4.08 1.02 -0.89 -0.44 2.02 -1.98 -2.20 112.91 114.53 1joq h THR 120 Ca -0.17 -0.10 -0.38 0.00 0.77 0.00 0.00 66.41 66.53 1joq h THR 120 Cb 0.97 0.72 -0.23 0.00 -1.74 0.00 0.00 68.15 67.87 1joq h THR 120 CO -0.09 0.05 0.49 1.41 0.37 0.00 0.00 175.52 177.75 1joq n HIS 121 N -4.96 2.83 -0.04 3.16 8.25 -1.26 -4.50 115.22 118.70 1joq n HIS 121 Ca -0.02 -1.56 -0.14 0.00 -0.26 0.00 0.00 57.72 55.74 1joq n HIS 121 Cb 0.04 -0.84 -0.09 0.00 1.12 0.00 0.00 29.99 30.23 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 1.79 0.24 -0.45 -0.41 4.22 -1.76 -2.48 114.58 115.73 1joq h GLU 122 Ca 0.47 -0.16 -0.14 0.00 0.08 0.00 0.00 59.36 59.61 1joq h GLU 122 Cb 2.65 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.91 1joq h GLU 122 CO 0.95 0.75 -0.27 1.96 -2.18 0.00 0.00 179.01 180.22 1joq h GLN 123 N -0.24 0.99 0.92 1.92 4.20 -1.79 -2.04 115.11 119.06 1joq h GLN 123 Ca 0.00 -0.45 -0.04 0.00 0.06 0.00 0.00 58.65 58.21 1joq h GLN 123 Cb 0.75 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.52 1joq h GLN 123 CO 0.04 1.13 -0.47 1.25 -0.67 0.00 0.00 178.83 180.10 1joq h LEU 124 N 0.83 -1.12 -2.08 1.46 7.12 -1.84 -1.54 115.31 118.15 1joq h LEU 124 Ca 0.09 0.04 0.09 0.00 0.13 0.00 0.00 57.88 58.24 1joq h LEU 124 Cb 0.86 0.30 -0.01 0.00 -0.53 0.00 0.00 40.66 41.28 1joq h LEU 124 CO 0.08 -0.77 0.27 -0.07 -0.13 0.00 0.00 178.44 177.81 1joq h LEU 125 N -1.26 0.00 -0.17 2.25 3.38 -1.50 -1.22 115.31 116.79 1joq h LEU 125 Ca -0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1joq h LEU 125 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1joq h LEU 125 CO 0.19 0.00 0.02 0.03 0.09 0.00 0.00 178.44 178.77 1joq h ARG 126 N 0.00 0.29 0.68 1.13 3.08 -0.66 -1.08 114.38 117.82 1joq h ARG 126 Ca 0.15 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1joq h ARG 126 Cb 0.69 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.72 1joq h ARG 126 CO -0.00 0.48 -0.33 -0.22 -1.07 0.00 0.00 179.97 178.83 1joq h LYS 127 N 0.06 -0.88 -0.54 0.04 3.64 -0.26 -1.88 116.57 116.75 1joq h LYS 127 Ca 0.05 0.06 0.16 0.00 -1.27 0.00 0.00 60.65 59.65 1joq h LYS 127 Cb 0.34 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1joq h LYS 127 CO 0.01 -0.59 0.60 0.66 -2.27 0.00 0.00 179.45 177.85 1joq h SER 128 N -0.97 0.00 0.21 4.20 4.64 -1.53 -0.64 113.55 119.45 1joq h SER 128 Ca -0.09 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 1joq h SER 128 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1joq h SER 128 CO 0.15 0.00 -0.10 -0.08 -0.87 0.00 0.00 176.83 175.93 1joq h GLU 129 N 0.00 -0.27 -0.24 4.77 4.57 -0.53 -2.74 114.58 120.14 1joq h GLU 129 Ca 0.26 0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.52 1joq h GLU 129 Cb 1.45 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 30.09 1joq h GLU 129 CO -0.00 0.12 0.25 0.00 -1.18 0.00 0.00 179.01 178.20 1joq h ALA 130 N -0.23 1.91 0.24 2.92 0.00 -0.36 -1.57 119.26 122.16 1joq h ALA 130 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1joq h ALA 130 Cb 0.51 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1joq h ALA 130 CO 0.05 -0.37 -0.12 0.37 0.00 0.00 0.00 179.25 179.18 1joq h GLN 131 N 0.00 -0.31 -0.19 0.00 4.15 -1.28 -2.50 115.11 114.98 1joq h GLN 131 Ca 0.11 0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.61 1joq h GLN 131 Cb 0.61 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.36 1joq h GLN 131 CO -0.00 0.04 0.17 0.00 -1.93 0.00 0.00 178.83 177.11 1joq h ALA 132 N -0.13 1.93 -0.36 3.38 0.00 -1.01 -0.31 119.26 122.75 1joq h ALA 132 Ca -0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1joq h ALA 132 Cb 0.49 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1joq h ALA 132 CO 0.05 -0.27 -0.12 -0.22 0.00 0.00 0.00 179.25 178.70 1joq h LYS 133 N 0.00 0.72 0.00 0.00 3.64 -1.07 -1.56 116.57 118.30 1joq h LYS 133 Ca 0.09 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1joq h LYS 133 Cb 0.43 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1joq h LYS 133 CO -0.00 0.89 0.00 0.87 -2.27 0.00 0.00 179.45 178.94 1joq h LYS 134 N 0.52 0.00 -0.16 1.90 1.79 -0.73 -3.02 116.57 116.87 1joq h LYS 134 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1joq h LYS 134 Cb 0.64 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1joq h LYS 134 CO 0.04 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 178.80 1joq n GLU 135 N -2.81 2.01 -3.81 3.15 1.02 -0.27 -4.97 120.64 114.97 1joq n GLU 135 Ca 0.04 -1.50 -0.31 0.00 -0.02 0.00 0.00 57.16 55.37 1joq n GLU 135 Cb 0.48 -1.46 0.01 0.00 -0.02 0.00 0.00 31.44 30.46 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 0.76 -1.04 -2.99 3.49 5.02 -0.61 -4.84 118.16 117.95 1joq n LYS 136 Ca 0.17 0.54 -0.44 0.00 -2.02 0.00 0.00 58.31 56.57 1joq n LYS 136 Cb 0.45 -2.93 -0.04 0.00 -0.02 0.00 0.00 35.03 32.49 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 -5.96 4.84 0.00 -0.35 2.01 -1.09 -4.40 118.68 113.74 1joq s LEU 137 Ca 0.24 -1.12 0.00 0.00 0.01 0.00 0.00 54.13 53.26 1joq s LEU 137 Cb -0.12 -2.40 0.00 0.00 0.01 0.00 0.00 46.19 43.68 1joq s LEU 137 CO 0.90 -1.23 0.00 0.59 1.01 0.00 0.00 176.35 177.62 1joq n ASN 138 N 6.95 0.00 -0.22 2.29 3.02 -1.26 -3.06 115.26 122.98 1joq n ASN 138 Ca -0.06 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.48 1joq n ASN 138 Cb 0.44 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.67 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 0.31 -0.15 2.41 2.04 -1.85 0.17 117.51 120.44 1joq h ILE 139 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.77 1joq h ILE 139 Cb 0.00 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.34 1joq h ILE 139 CO 0.00 0.00 0.12 0.79 0.00 0.00 0.00 178.15 179.06 1joq n TRP 140 N -5.45 0.48 -1.27 1.37 7.02 -1.17 -4.31 117.44 114.11 1joq n TRP 140 Ca 0.07 -1.11 -0.31 0.00 -1.02 0.00 0.00 57.50 55.14 1joq n TRP 140 Cb 0.34 -0.55 0.10 0.00 -2.42 0.00 0.00 31.31 28.79 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 0.85 6.59 0.00 -0.99 2.88 0.59 -3.99 113.62 119.54 1joq n SER 141 Ca 0.09 -3.70 0.00 0.00 -1.33 0.00 0.00 58.87 53.93 1joq n SER 141 Cb 0.57 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1joq n SER 141 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1joq n GLU 142 N -0.92 0.00 -1.67 -1.46 -0.58 -1.26 -4.74 120.64 110.00 1joq n GLU 142 Ca 0.61 0.00 -0.44 0.00 -0.42 0.00 0.00 57.16 56.91 1joq n GLU 142 Cb 0.93 -0.62 -0.02 0.00 -0.57 0.00 0.00 31.44 31.16 1joq n GLU 142 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1joq n ASP 143 N -0.37 2.67 -0.07 1.62 -0.08 -1.26 -4.88 116.55 114.19 1joq n ASP 143 Ca 0.00 1.17 0.02 0.00 -1.51 0.00 0.00 54.79 54.47 1joq n ASP 143 Cb 0.00 -1.44 0.03 0.00 2.34 0.00 0.00 41.12 42.05 1joq n ASP 143 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1joq n ASN 144 N 1.66 1.45 -4.79 1.67 6.94 -1.26 -5.04 115.26 115.88 1joq n ASN 144 Ca 0.09 -2.04 -0.39 0.00 -0.02 0.00 0.00 54.58 52.23 1joq n ASN 144 Cb 0.33 -0.12 -0.06 0.00 -2.36 0.00 0.00 39.78 37.57 1joq n ASN 144 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1joq s ALA 145 N -1.11 3.48 -0.03 -2.53 0.00 -1.26 -5.07 121.76 115.24 1joq s ALA 145 Ca 0.07 0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.32 1joq s ALA 145 Cb 0.06 -2.84 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 1joq s ALA 145 CO 0.01 0.33 -0.17 0.34 0.00 0.00 0.00 175.76 176.26 1joq s ASP 146 N -1.24 2.12 0.67 0.00 2.15 -1.26 -5.14 116.67 113.97 1joq s ASP 146 Ca 0.35 -0.34 0.05 0.00 0.43 0.00 0.00 52.55 53.04 1joq s ASP 146 Cb -0.21 -0.43 0.12 0.00 -0.30 0.00 0.00 42.92 42.10 1joq s ASP 146 CO 0.23 0.18 0.93 -0.94 -0.17 0.00 0.00 175.17 175.40 1joq s SER 147 N -0.17 4.59 0.00 -0.34 1.04 -1.26 -4.93 113.70 112.64 1joq s SER 147 Ca 0.01 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.75 1joq s SER 147 Cb -0.09 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1joq s SER 147 CO 0.01 -1.71 0.00 0.61 0.98 0.00 0.00 173.24 173.13 1joq n GLY 148 N -2.61 -0.03 0.82 7.32 0.00 -1.26 -5.33 105.19 104.10 1joq n GLY 148 Ca 0.17 -0.43 0.10 0.00 0.00 0.00 0.00 46.02 45.86 1joq n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93