#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 5.06 -2.41 0.00 -1.04 -1.26 -4.92 114.28 109.72 1joq n THR 2 Ca 0.00 -4.39 -0.38 0.00 -2.04 0.00 0.00 64.05 57.25 1joq n THR 2 Cb 0.00 -2.13 -0.03 0.00 -1.82 0.00 0.00 70.33 66.35 1joq n THR 2 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1joq s SER 3 N 0.42 6.05 0.00 8.00 0.01 -1.26 -4.41 113.70 122.50 1joq s SER 3 Ca 0.50 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.80 1joq s SER 3 Cb 0.16 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1joq s SER 3 CO -0.07 -1.91 0.00 0.35 0.41 0.00 0.00 173.24 172.02 1joq n THR 4 N 7.04 0.00 -2.47 1.44 -2.24 -1.26 -5.12 114.28 111.67 1joq n THR 4 Ca 0.28 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 62.03 1joq n THR 4 Cb 0.50 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 1joq n THR 4 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1joq n LYS 5 N -1.50 -3.58 -1.60 -0.78 4.76 -1.26 -4.82 118.16 109.39 1joq n LYS 5 Ca 0.00 2.82 -0.45 0.00 -2.87 0.00 0.00 58.31 57.80 1joq n LYS 5 Cb 0.00 -4.59 -0.02 0.00 -1.84 0.00 0.00 35.03 28.58 1joq n LYS 5 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1joq n LYS 6 N 1.12 1.39 -0.86 1.97 2.85 -1.26 -4.92 118.16 118.45 1joq n LYS 6 Ca -0.22 0.49 -0.29 0.00 -1.05 0.00 0.00 58.31 57.23 1joq n LYS 6 Cb 0.35 -1.91 0.23 0.00 -0.65 0.00 0.00 35.03 33.05 1joq n LYS 6 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1joq s LEU 7 N 0.42 0.71 0.06 -5.58 1.43 -1.26 -5.05 118.68 109.41 1joq s LEU 7 Ca 0.62 1.07 0.08 0.00 -1.03 0.00 0.00 54.13 54.87 1joq s LEU 7 Cb -0.72 -2.94 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 1joq s LEU 7 CO 0.58 -4.04 -0.22 -1.38 0.23 0.00 0.00 176.35 171.52 1joq s HIS 8 N -2.73 1.88 -0.12 0.29 -3.43 -1.26 -5.13 115.29 104.79 1joq s HIS 8 Ca 0.68 -0.39 -0.05 0.00 -0.80 0.00 0.00 55.06 54.50 1joq s HIS 8 Cb -0.18 -1.09 -0.04 0.00 -1.43 0.00 0.00 32.58 29.84 1joq s HIS 8 CO 0.59 0.14 0.06 0.15 -2.00 0.00 0.00 174.74 173.68 1joq s LYS 9 N -1.41 3.36 0.42 -0.38 1.02 -1.26 -4.64 119.74 116.85 1joq s LYS 9 Ca 0.08 -0.30 0.06 0.00 0.02 0.00 0.00 55.97 55.84 1joq s LYS 9 Cb -0.09 -3.02 -0.07 0.00 -0.52 0.00 0.00 37.83 34.13 1joq s LYS 9 CO 0.03 0.64 0.05 -1.21 -0.92 0.00 0.00 175.35 173.93 1joq s GLU 10 N -0.66 2.04 0.74 1.68 8.01 -0.79 -4.94 118.70 124.77 1joq s GLU 10 Ca 0.12 -2.09 -0.08 0.00 0.01 0.00 0.00 54.97 52.92 1joq s GLU 10 Cb -0.12 -1.70 0.08 0.00 -4.31 0.00 0.00 34.13 28.08 1joq s GLU 10 CO 0.02 -0.11 1.06 -1.25 0.01 0.00 0.00 175.26 175.00 1joq s PRO 11 N -3.78 2.04 0.20 0.39 0.04 -1.26 -0.68 135.00 131.95 1joq s PRO 11 Ca 0.33 -0.22 -0.24 0.00 0.04 0.00 0.00 61.00 60.91 1joq s PRO 11 Cb 0.08 -2.11 0.05 0.00 0.04 0.00 0.00 34.50 32.55 1joq s PRO 11 CO 0.17 -1.39 0.88 0.00 0.04 0.00 0.00 177.00 176.71 1joq s ALA 12 N -3.35 -1.51 0.00 8.56 0.00 0.17 -4.23 121.76 121.41 1joq s ALA 12 Ca 0.62 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.57 1joq s ALA 12 Cb -0.10 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.72 1joq s ALA 12 CO 0.46 -1.04 -0.09 0.99 0.00 0.00 0.00 175.76 176.07 1joq s THR 13 N -3.47 0.74 -0.14 0.00 2.01 -0.80 -4.42 115.64 109.55 1joq s THR 13 Ca 0.12 -0.50 -0.27 0.00 0.31 0.00 0.00 61.69 61.35 1joq s THR 13 Cb -0.03 -0.64 -0.01 0.00 0.01 0.00 0.00 72.50 71.83 1joq s THR 13 CO 0.04 0.14 0.89 -0.22 -0.69 0.00 0.00 174.62 174.78 1joq s LEU 14 N -0.41 4.20 -0.14 4.42 2.96 -1.26 -0.15 118.68 128.30 1joq s LEU 14 Ca 0.02 1.30 -0.07 0.00 -0.22 0.00 0.00 54.13 55.16 1joq s LEU 14 Cb -0.04 -3.35 -0.06 0.00 0.50 0.00 0.00 46.19 43.24 1joq s LEU 14 CO -0.00 -0.41 -0.18 -0.38 -1.32 0.00 0.00 176.35 174.05 1joq n ILE 15 N 4.65 0.81 -3.15 6.68 5.41 -0.48 -4.93 119.36 128.35 1joq n ILE 15 Ca 0.06 -0.18 0.05 0.00 1.00 0.00 0.00 62.75 63.68 1joq n ILE 15 Cb 0.49 -1.71 -0.01 0.00 -0.71 0.00 0.00 39.64 37.70 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 -2.27 0.32 0.51 0.38 2.47 -0.93 -5.02 119.74 115.20 1joq s LYS 16 Ca -0.20 0.56 -0.20 0.00 -1.56 0.00 0.00 55.97 54.56 1joq s LYS 16 Cb 0.07 0.31 -0.07 0.00 -1.46 0.00 0.00 37.83 36.69 1joq s LYS 16 CO 0.25 -0.36 1.12 0.00 0.16 0.00 0.00 175.35 176.52 1joq s ALA 17 N 2.92 2.80 -0.13 3.13 0.00 -1.26 -2.01 121.76 127.21 1joq s ALA 17 Ca 0.07 0.81 -0.08 0.00 0.00 0.00 0.00 51.96 52.77 1joq s ALA 17 Cb -0.12 -3.35 -0.06 0.00 0.00 0.00 0.00 23.12 19.60 1joq s ALA 17 CO -0.15 -0.66 -0.19 -0.89 0.00 0.00 0.00 175.76 173.88 1joq n ILE 18 N -1.03 0.91 -2.41 0.00 5.41 -0.81 -4.88 119.36 116.55 1joq n ILE 18 Ca 0.10 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1joq n ILE 18 Cb 0.50 -1.75 0.00 0.00 -0.71 0.00 0.00 39.64 37.68 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 -3.72 0.00 -0.53 4.38 2.03 -1.04 -5.00 116.55 112.67 1joq n ASP 19 Ca -0.25 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.18 1joq n ASP 19 Cb 0.62 0.00 0.42 0.00 -0.72 0.00 0.00 41.12 41.44 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 0.19 1.29 0.27 0.00 -1.26 -3.97 105.19 101.71 1joq n GLY 20 Ca 0.00 -0.43 0.02 0.00 0.00 0.00 0.00 46.02 45.61 1joq n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1joq n ASP 21 N 0.27 0.60 -3.64 1.61 5.75 -1.26 -4.77 116.55 115.12 1joq n ASP 21 Ca 0.17 -1.98 -0.09 0.00 -0.01 0.00 0.00 54.79 52.89 1joq n ASP 21 Cb 0.34 -0.21 -0.07 0.00 -1.03 0.00 0.00 41.12 40.15 1joq n ASP 21 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1joq s THR 22 N 0.00 0.00 -0.22 2.12 2.01 -1.25 -3.62 115.64 114.67 1joq s THR 22 Ca 0.25 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 62.10 1joq s THR 22 Cb 0.28 -1.00 0.07 0.00 0.01 0.00 0.00 72.50 71.86 1joq s THR 22 CO -0.12 0.00 0.56 0.68 -0.69 0.00 0.00 174.62 175.05 1joq s VAL 23 N 0.80 -0.01 -0.38 3.82 -7.23 -0.77 -1.92 120.40 114.71 1joq s VAL 23 Ca -0.03 0.03 -0.25 0.00 -1.81 0.00 0.00 61.98 59.92 1joq s VAL 23 Cb -0.05 -0.81 0.02 0.00 0.56 0.00 0.00 36.38 36.10 1joq s VAL 23 CO -0.09 0.01 0.90 -0.54 -0.31 0.00 0.00 175.10 175.08 1joq s LYS 24 N 1.23 3.78 0.00 4.82 1.02 -0.85 -1.49 119.74 128.25 1joq s LYS 24 Ca -0.07 0.48 0.00 0.00 0.02 0.00 0.00 55.97 56.40 1joq s LYS 24 Cb -0.06 -3.82 0.00 0.00 -0.52 0.00 0.00 37.83 33.43 1joq s LYS 24 CO -0.12 -0.97 0.00 1.28 -0.92 0.00 0.00 175.35 174.62 1joq n LEU 25 N 6.78 0.00 -4.16 3.17 4.77 -0.78 -1.38 117.00 125.40 1joq n LEU 25 Ca 0.06 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.77 1joq n LEU 25 Cb 0.48 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.41 1joq n LEU 25 CO 0.58 -0.03 -0.51 -0.32 -1.33 0.00 0.00 177.39 175.77 1joq s MET 26 N -0.71 1.98 -0.07 3.23 -2.45 0.78 -1.90 119.30 120.16 1joq s MET 26 Ca 0.00 -0.66 0.01 0.00 -1.25 0.00 0.00 55.69 53.78 1joq s MET 26 Cb 0.00 -1.69 0.02 0.00 1.25 0.00 0.00 34.83 34.41 1joq s MET 26 CO 0.00 0.25 -0.06 -0.47 1.05 0.00 0.00 175.02 175.79 1joq s TYR 27 N 0.06 1.09 -0.83 4.11 5.04 -0.52 -1.91 117.35 124.39 1joq s TYR 27 Ca -0.05 -0.42 -0.07 0.00 -2.44 0.00 0.00 57.07 54.09 1joq s TYR 27 Cb -0.12 -0.93 0.06 0.00 0.35 0.00 0.00 41.96 41.32 1joq s TYR 27 CO 0.03 -0.32 0.24 1.63 -1.34 0.00 0.00 175.55 175.79 1joq n LYS 28 N 4.41 -2.55 -2.30 4.97 5.02 -1.26 0.18 118.16 126.62 1joq n LYS 28 Ca -0.18 0.23 -0.02 0.00 -2.02 0.00 0.00 58.31 56.32 1joq n LYS 28 Cb 0.51 -4.81 0.01 0.00 -0.02 0.00 0.00 35.03 30.71 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 -0.82 0.56 2.82 0.72 0.00 -1.26 -5.05 105.19 102.16 1joq n GLY 29 Ca -0.00 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 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 -4.50 0.32 -0.57 1.61 0.74 0.13 -5.10 119.66 112.29 1joq s GLN 30 Ca 0.02 0.16 -0.27 0.00 0.05 0.00 0.00 55.36 55.32 1joq s GLN 30 Cb -0.01 -0.67 -0.02 0.00 1.10 0.00 0.00 33.01 33.42 1joq s GLN 30 CO 0.06 -0.85 1.81 -1.25 -0.55 0.00 0.00 175.29 174.51 1joq s PRO 31 N 2.43 2.78 0.09 1.67 0.04 -1.26 -1.43 135.00 139.33 1joq s PRO 31 Ca 0.10 0.72 0.05 0.00 0.04 0.00 0.00 61.00 61.91 1joq s PRO 31 Cb -0.14 -4.34 -0.03 0.00 0.04 0.00 0.00 34.50 30.02 1joq s PRO 31 CO -0.24 -2.54 -0.14 1.41 0.04 0.00 0.00 177.00 175.53 1joq s MET 32 N 6.71 0.91 0.59 4.56 1.75 -0.80 -4.94 119.30 128.09 1joq s MET 32 Ca 0.68 -1.09 -0.15 0.00 -1.25 0.00 0.00 55.69 53.88 1joq s MET 32 Cb -0.14 -0.84 -0.04 0.00 2.84 0.00 0.00 34.83 36.65 1joq s MET 32 CO 0.23 0.17 1.03 0.99 -0.65 0.00 0.00 175.02 176.80 1joq s THR 33 N -1.72 4.14 0.03 10.11 2.01 -1.26 -1.87 115.64 127.08 1joq s THR 33 Ca 0.03 0.93 0.01 0.00 0.31 0.00 0.00 61.69 62.97 1joq s THR 33 Cb -0.07 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 1joq s THR 33 CO 0.02 -0.68 -0.05 -0.36 -0.69 0.00 0.00 174.62 172.86 1joq s PHE 34 N -2.68 0.45 0.34 4.92 0.40 -0.56 -1.28 117.98 119.58 1joq s PHE 34 Ca 0.60 -0.43 0.05 0.00 -0.60 0.00 0.00 56.93 56.55 1joq s PHE 34 Cb -0.13 -0.28 -0.07 0.00 0.51 0.00 0.00 43.02 43.04 1joq s PHE 34 CO 0.40 -0.11 0.04 1.03 0.70 0.00 0.00 175.22 177.28 1joq s ARG 35 N -1.28 1.72 -0.09 0.44 1.81 -0.43 -1.86 118.95 119.26 1joq s ARG 35 Ca -0.10 -1.95 -0.20 0.00 -1.72 0.00 0.00 55.73 51.75 1joq s ARG 35 Cb -0.08 -1.07 -0.04 0.00 -0.45 0.00 0.00 34.95 33.30 1joq s ARG 35 CO -0.00 -0.14 0.57 -0.51 -0.68 0.00 0.00 175.30 174.54 1joq s LEU 36 N -3.54 4.30 0.08 2.53 1.43 -1.24 -4.01 118.68 118.23 1joq s LEU 36 Ca 0.36 0.97 -0.17 0.00 -1.03 0.00 0.00 54.13 54.26 1joq s LEU 36 Cb 0.09 -2.85 -0.07 0.00 0.03 0.00 0.00 46.19 43.39 1joq s LEU 36 CO 0.16 -0.04 0.53 -0.76 0.23 0.00 0.00 176.35 176.47 1joq s LEU 37 N 0.65 4.47 0.00 1.79 1.43 -1.26 -3.82 118.68 121.93 1joq s LEU 37 Ca 0.31 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.56 1joq s LEU 37 Cb -0.16 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.12 1joq s LEU 37 CO 0.14 0.24 0.00 0.18 0.23 0.00 0.00 176.35 177.13 1joq n LEU 38 N 1.48 0.46 -4.04 1.79 4.77 -1.25 -4.93 117.00 115.27 1joq n LEU 38 Ca -0.10 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.78 1joq n LEU 38 Cb 0.51 -0.93 -0.07 0.00 -2.33 0.00 0.00 43.42 40.60 1joq n LEU 38 CO 0.41 -0.31 -0.03 0.54 -1.33 0.00 0.00 177.39 176.67 1joq s VAL 39 N -2.26 0.03 -0.05 4.08 0.11 -1.25 -1.95 120.40 119.11 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 -2.13 0.11 0.00 -1.53 0.00 0.00 36.38 32.83 1joq s VAL 39 CO 0.00 -0.14 0.89 -0.62 -3.33 0.00 0.00 175.10 171.89 1joq s ASP 40 N -3.04 -0.41 0.18 3.54 2.15 -0.60 -4.63 116.67 113.86 1joq s ASP 40 Ca 0.25 0.21 0.07 0.00 0.43 0.00 0.00 52.55 53.51 1joq s ASP 40 Cb 0.03 0.39 -0.04 0.00 -0.30 0.00 0.00 42.92 42.99 1joq s ASP 40 CO 0.06 -0.54 -0.14 0.42 -0.17 0.00 0.00 175.17 174.79 1joq s THR 41 N -2.27 1.58 -0.22 1.71 -4.23 -1.26 -2.17 115.64 108.78 1joq s THR 41 Ca 0.01 -2.09 -0.29 0.00 -1.18 0.00 0.00 61.69 58.14 1joq s THR 41 Cb -0.01 -1.92 -0.01 0.00 1.34 0.00 0.00 72.50 71.91 1joq s THR 41 CO -0.04 -0.58 1.27 -2.16 -0.54 0.00 0.00 174.62 172.58 1joq s PRO 42 N -3.46 4.10 0.07 3.99 0.04 -1.26 -4.89 135.00 133.59 1joq s PRO 42 Ca 0.19 1.48 -0.01 0.00 0.04 0.00 0.00 61.00 62.69 1joq s PRO 42 Cb -0.01 -3.81 0.02 0.00 0.04 0.00 0.00 34.50 30.74 1joq s PRO 42 CO 0.05 -0.88 0.07 -0.85 0.04 0.00 0.00 177.00 175.43 1joq n GLU 43 N 6.90 -0.92 -2.73 4.56 -0.00 -1.26 -4.89 120.64 122.30 1joq n GLU 43 Ca 0.14 -0.10 -0.06 0.00 -0.00 0.00 0.00 57.16 57.14 1joq n GLU 43 Cb 0.46 -0.09 0.05 0.00 -0.00 0.00 0.00 31.44 31.85 1joq n GLU 43 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1joq n THR 44 N -2.53 0.00 -1.79 3.84 5.66 -1.26 -4.91 114.28 113.29 1joq n THR 44 Ca 0.01 -1.10 -0.37 0.00 -3.05 0.00 0.00 64.05 59.54 1joq n THR 44 Cb 0.03 1.23 -0.02 0.00 -1.55 0.00 0.00 70.33 70.02 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 1.95 4.02 -3.78 1.09 5.02 -1.26 -4.80 118.16 120.40 1joq n LYS 45 Ca 0.09 -3.03 -0.30 0.00 -2.02 0.00 0.00 58.31 53.05 1joq n LYS 45 Cb 0.63 -2.54 -0.15 0.00 -0.02 0.00 0.00 35.03 32.96 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 -0.79 2.11 -0.04 2.13 3.76 -1.26 -4.99 115.29 116.20 1joq s HIS 46 Ca 0.57 -2.07 -0.02 0.00 -0.15 0.00 0.00 55.06 53.40 1joq s HIS 46 Cb 0.22 -1.95 -0.05 0.00 1.11 0.00 0.00 32.58 31.90 1joq s HIS 46 CO -0.11 -0.87 2.48 -0.35 -0.85 0.00 0.00 174.74 175.04 1joq n PRO 47 N 4.53 1.39 0.06 8.40 -0.04 -1.26 -3.23 135.00 144.85 1joq n PRO 47 Ca 0.01 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.98 1joq n PRO 47 Cb 0.41 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 1.66 0.00 0.00 0.54 5.02 -1.26 -4.99 118.16 119.13 1joq n LYS 48 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1joq n LYS 48 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.63 1joq n LYS 48 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1joq n LYS 49 N -2.84 2.65 0.00 1.97 4.76 -1.26 -5.14 118.16 118.31 1joq n LYS 49 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1joq n LYS 49 Cb 0.00 -1.00 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 1joq n LYS 49 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1joq n GLY 50 N 2.81 -2.31 0.13 0.72 0.00 -1.20 -4.44 105.19 100.90 1joq n GLY 50 Ca 0.00 -1.59 0.08 0.00 0.00 0.00 0.00 46.02 44.52 1joq n GLY 50 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1joq h VAL 51 N 0.00 0.17 -3.61 1.61 2.07 -1.91 -3.49 116.25 111.09 1joq h VAL 51 Ca 0.00 -1.30 0.24 0.00 0.82 0.00 0.00 66.70 66.46 1joq h VAL 51 Cb 0.00 1.76 -0.14 0.00 -1.52 0.00 0.00 31.29 31.40 1joq h VAL 51 CO 0.00 0.10 -1.19 -0.62 0.02 0.00 0.00 177.57 175.88 1joq n GLU 52 N -2.83 -3.56 0.00 1.57 1.02 -1.26 -4.66 120.64 110.91 1joq n GLU 52 Ca -0.01 2.87 0.00 0.00 -0.02 0.00 0.00 57.16 60.00 1joq n GLU 52 Cb 0.62 -3.94 0.00 0.00 -0.02 0.00 0.00 31.44 28.10 1joq n GLU 52 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1joq n LYS 53 N -3.85 0.00 -1.29 3.49 3.00 -1.26 -3.51 118.16 114.74 1joq n LYS 53 Ca -0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.19 1joq n LYS 53 Cb 0.63 0.00 0.12 0.00 0.00 0.00 0.00 35.03 35.77 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 0.00 1.03 0.00 5.64 4.01 -1.26 -4.88 117.16 121.70 1joq n TYR 54 Ca 0.00 -1.71 0.00 0.00 -0.16 0.00 0.00 57.90 56.03 1joq n TYR 54 Cb 0.00 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 38.76 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 -0.82 0.66 3.30 2.72 0.00 -1.23 -4.64 105.19 105.17 1joq n GLY 55 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.73 2.47 0.00 1.61 -0.04 -1.26 -3.78 135.00 133.28 1joq n PRO 56 Ca 0.00 -2.70 0.00 0.00 -0.04 0.00 0.00 63.50 60.76 1joq n PRO 56 Cb 0.00 -3.41 0.00 0.00 -0.04 0.00 0.00 33.50 30.05 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 7.60 0.00 0.08 0.54 1.02 -1.26 -4.89 120.64 123.72 1joq n GLU 57 Ca 0.49 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.50 1joq n GLU 57 Cb 0.44 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.77 1joq n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1joq h ALA 58 N 0.00 -0.21 0.00 0.62 0.00 -1.83 -2.02 119.26 115.82 1joq h ALA 58 Ca 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1joq h ALA 58 Cb 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1joq h ALA 58 CO 0.00 -0.42 -0.01 1.03 0.00 0.00 0.00 179.25 179.85 1joq h SER 59 N -0.61 0.00 0.68 0.00 0.87 -1.81 -0.87 113.55 111.81 1joq h SER 59 Ca -0.02 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.32 1joq h SER 59 Cb 0.46 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1joq h SER 59 CO 0.04 0.01 -1.00 0.00 -0.53 0.00 0.00 176.83 175.34 1joq h ALA 60 N 1.99 0.37 -0.34 6.23 0.00 -1.81 -1.23 119.26 124.47 1joq h ALA 60 Ca -0.00 -0.81 -0.14 0.00 0.00 0.00 0.00 54.91 53.97 1joq h ALA 60 Cb 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1joq h ALA 60 CO 0.00 1.00 -0.32 0.35 0.00 0.00 0.00 179.25 180.28 1joq h PHE 61 N 0.08 0.98 0.00 0.00 3.04 -0.43 -1.96 116.94 118.64 1joq h PHE 61 Ca -0.06 -0.29 -0.19 0.00 3.98 0.00 0.00 57.97 61.41 1joq h PHE 61 Cb 1.69 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 39.96 1joq h PHE 61 CO 0.03 1.07 -0.90 1.15 -2.02 0.00 0.00 178.31 177.64 1joq h THR 62 N 0.60 1.65 -0.18 4.41 2.02 -1.54 -1.96 112.91 117.91 1joq h THR 62 Ca 0.06 -3.08 -0.05 0.00 0.77 0.00 0.00 66.41 64.11 1joq h THR 62 Cb 0.90 2.66 -0.00 0.00 -1.74 0.00 0.00 68.15 69.97 1joq h THR 62 CO 0.08 0.88 -0.08 0.50 0.37 0.00 0.00 175.52 177.27 1joq h LYS 63 N 0.00 0.37 -0.01 6.66 3.64 -1.14 -2.40 116.57 123.69 1joq h LYS 63 Ca -0.01 -0.16 -0.19 0.00 -1.27 0.00 0.00 60.65 59.02 1joq h LYS 63 Cb 1.59 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.39 1joq h LYS 63 CO 0.12 0.67 -0.84 -0.22 -2.27 0.00 0.00 179.45 176.91 1joq h LYS 64 N 0.05 0.24 0.32 1.90 1.63 -1.43 -2.26 116.57 117.03 1joq h LYS 64 Ca 0.04 -0.24 -0.02 0.00 -0.85 0.00 0.00 60.65 59.58 1joq h LYS 64 Cb 0.55 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.25 1joq h LYS 64 CO 0.02 0.95 -0.15 0.52 -3.45 0.00 0.00 179.45 177.34 1joq h MET 65 N 0.14 -0.42 -0.55 1.90 2.86 -1.33 -2.02 114.93 115.52 1joq h MET 65 Ca -0.04 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1joq h MET 65 Cb 1.45 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 33.17 1joq h MET 65 CO 0.13 -0.28 0.36 -0.39 1.06 0.00 0.00 176.91 177.80 1joq h VAL 66 N -0.50 1.06 -0.62 -2.22 -1.51 -1.56 0.33 116.25 111.22 1joq h VAL 66 Ca -0.04 -0.21 0.01 0.00 -1.23 0.00 0.00 66.70 65.22 1joq h VAL 66 Cb 0.33 0.38 -0.03 0.00 -2.13 0.00 0.00 31.29 29.84 1joq h VAL 66 CO 0.07 0.11 0.41 -0.33 -1.23 0.00 0.00 177.57 176.60 1joq h GLU 67 N 0.62 0.82 -0.34 5.19 5.08 -1.35 -1.69 114.58 122.91 1joq h GLU 67 Ca 0.22 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1joq h GLU 67 Cb 0.12 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1joq h GLU 67 CO -0.06 0.55 0.00 0.09 -1.00 0.00 0.00 179.01 178.59 1joq n ASN 68 N -4.44 3.18 -4.65 1.42 3.02 -0.50 -4.95 115.26 108.34 1joq n ASN 68 Ca 0.06 -1.92 -0.42 0.00 -0.03 0.00 0.00 54.58 52.27 1joq n ASN 68 Cb 0.04 -0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 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 -1.30 3.48 -0.52 5.41 0.00 0.11 -4.84 121.76 124.09 1joq s ALA 69 Ca 0.33 1.04 0.24 0.00 0.00 0.00 0.00 51.96 53.57 1joq s ALA 69 Cb 0.19 -3.83 0.53 0.00 0.00 0.00 0.00 23.12 20.01 1joq s ALA 69 CO 0.26 -1.67 1.68 0.87 0.00 0.00 0.00 175.76 176.90 1joq h LYS 70 N 10.66 0.00 -2.88 0.00 1.57 -1.88 -3.44 116.57 120.60 1joq h LYS 70 Ca -0.43 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.16 1joq h LYS 70 Cb 1.21 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.21 1joq h LYS 70 CO 0.95 0.00 -0.49 0.15 -0.57 0.00 0.00 179.45 179.50 1joq s LYS 71 N -3.19 0.20 -0.17 3.15 1.02 -1.26 -5.01 119.74 114.48 1joq s LYS 71 Ca 0.08 0.70 0.01 0.00 0.02 0.00 0.00 55.97 56.78 1joq s LYS 71 Cb 0.08 -0.04 0.02 0.00 -0.52 0.00 0.00 37.83 37.36 1joq s LYS 71 CO 0.64 -0.23 -0.19 0.42 -0.92 0.00 0.00 175.35 175.07 1joq s ILE 72 N 1.95 1.95 0.08 2.17 1.01 -1.26 -2.72 121.20 124.37 1joq s ILE 72 Ca -0.04 -0.88 0.09 0.00 0.00 0.00 0.00 60.65 59.83 1joq s ILE 72 Cb -0.11 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 1joq s ILE 72 CO -0.09 0.52 -0.24 -1.61 0.00 0.00 0.00 174.94 173.53 1joq s GLU 73 N 1.25 1.42 -0.06 2.79 2.02 -1.02 0.43 118.70 125.54 1joq s GLU 73 Ca 0.03 -1.13 0.06 0.00 0.02 0.00 0.00 54.97 53.95 1joq s GLU 73 Cb -0.13 -1.67 -0.01 0.00 0.10 0.00 0.00 34.13 32.41 1joq s GLU 73 CO -0.11 0.41 -0.25 0.14 0.02 0.00 0.00 175.26 175.48 1joq s VAL 74 N -0.95 2.03 -0.39 2.63 -7.23 0.14 -1.48 120.40 115.15 1joq s VAL 74 Ca 0.10 -1.05 0.01 0.00 -1.81 0.00 0.00 61.98 59.23 1joq s VAL 74 Cb -0.10 -1.71 0.12 0.00 0.56 0.00 0.00 36.38 35.25 1joq s VAL 74 CO 0.03 0.56 0.18 -0.70 -0.31 0.00 0.00 175.10 174.86 1joq s GLU 75 N -0.17 1.13 0.59 4.82 -6.30 -0.89 -1.89 118.70 115.99 1joq s GLU 75 Ca -0.03 -1.70 -0.20 0.00 -2.50 0.00 0.00 54.97 50.54 1joq s GLU 75 Cb -0.13 -2.32 -0.03 0.00 0.00 0.00 0.00 34.13 31.64 1joq s GLU 75 CO 0.03 -1.08 1.32 -0.06 0.02 0.00 0.00 175.26 175.49 1joq s PHE 76 N 0.80 2.21 0.00 5.30 0.08 -1.26 -2.34 117.98 122.77 1joq s PHE 76 Ca 0.14 1.43 0.00 0.00 0.12 0.00 0.00 56.93 58.63 1joq s PHE 76 Cb -0.22 -3.73 0.00 0.00 -0.57 0.00 0.00 43.02 38.51 1joq s PHE 76 CO -0.09 -2.84 0.00 -3.47 -0.10 0.00 0.00 175.22 168.72 1joq n ASP 77 N -1.44 0.00 0.01 1.36 -0.08 -1.26 -4.88 116.55 110.25 1joq n ASP 77 Ca 0.13 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.52 1joq n ASP 77 Cb 0.47 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.87 1joq n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1joq n LYS 78 N 0.00 0.23 0.00 -0.67 0.00 -1.26 -4.91 118.16 111.55 1joq n LYS 78 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1joq n LYS 78 Cb 0.00 -1.54 0.00 0.00 -0.00 0.00 0.00 35.03 33.49 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 1.41 -0.23 3.92 2.58 0.00 -1.26 -4.96 105.19 106.64 1joq n GLY 79 Ca 0.02 -1.28 -0.28 0.00 0.00 0.00 0.00 46.02 44.48 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 1.77 0.00 1.61 -1.52 -1.26 -4.99 119.66 115.27 1joq s GLN 80 Ca 0.00 -0.14 0.10 0.00 -1.95 0.00 0.00 55.36 53.37 1joq s GLN 80 Cb 0.00 -2.01 0.11 0.00 -0.22 0.00 0.00 33.01 30.89 1joq s GLN 80 CO 0.00 -1.64 0.89 0.54 -0.25 0.00 0.00 175.29 174.83 1joq n ARG 81 N -3.27 0.81 -3.70 2.91 1.74 -1.26 -4.71 116.66 109.18 1joq n ARG 81 Ca 0.10 -1.25 -0.13 0.00 -0.77 0.00 0.00 57.85 55.80 1joq n ARG 81 Cb 0.61 -1.20 -0.09 0.00 -1.02 0.00 0.00 32.46 30.75 1joq n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1joq s THR 82 N -0.87 -0.00 0.00 0.55 -4.23 -1.26 -2.09 115.64 107.74 1joq s THR 82 Ca 0.13 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 1joq s THR 82 Cb 0.09 -0.70 0.00 0.00 1.34 0.00 0.00 72.50 73.23 1joq s THR 82 CO 0.13 0.00 0.00 0.47 -0.54 0.00 0.00 174.62 174.68 1joq n ASP 83 N 2.93 0.00 0.18 3.99 8.00 -0.91 -4.91 116.55 125.83 1joq n ASP 83 Ca -0.14 -0.34 0.14 0.00 0.71 0.00 0.00 54.79 55.16 1joq n ASP 83 Cb 0.57 0.00 0.50 0.00 -0.02 0.00 0.00 41.12 42.17 1joq n ASP 83 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1joq h LYS 84 N 0.00 0.00 -0.00 -1.24 2.10 -2.02 -2.43 116.57 112.98 1joq h LYS 84 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1joq h LYS 84 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1joq h LYS 84 CO 0.00 0.00 -0.11 0.66 -2.00 0.00 0.00 179.45 178.00 1joq n TYR 85 N -2.57 0.00 -0.48 0.07 4.02 -1.26 -4.88 117.16 112.06 1joq n TYR 85 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 1joq n TYR 85 Cb 0.32 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 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 1.27 1.75 3.80 2.72 0.00 -0.91 -5.01 105.19 108.81 1joq n GLY 86 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.10 3.31 0.19 1.61 0.52 -1.26 -4.75 118.95 118.45 1joq s ARG 87 Ca 0.00 1.26 -0.13 0.00 -0.52 0.00 0.00 55.73 56.34 1joq s ARG 87 Cb 0.00 -2.03 -0.07 0.00 0.52 0.00 0.00 34.95 33.37 1joq s ARG 87 CO 0.00 -0.83 0.56 0.20 0.02 0.00 0.00 175.30 175.25 1joq s GLY 88 N -2.65 2.39 -0.21 -3.53 0.00 -0.40 -2.15 107.32 100.77 1joq s GLY 88 Ca 0.65 -0.17 -0.01 0.00 0.00 0.00 0.00 44.72 45.18 1joq s GLY 88 CO 0.35 0.05 -0.11 1.08 0.00 0.00 0.00 173.10 174.48 1joq s LEU 89 N -2.32 2.67 -0.11 0.66 1.43 -0.89 -1.31 118.68 118.81 1joq s LEU 89 Ca 0.42 -0.60 -0.31 0.00 -1.03 0.00 0.00 54.13 52.61 1joq s LEU 89 Cb -0.13 -1.62 0.12 0.00 0.03 0.00 0.00 46.19 44.59 1joq s LEU 89 CO 0.20 -0.04 1.03 0.00 0.23 0.00 0.00 176.35 177.77 1joq s ALA 90 N 1.37 -1.94 -0.26 4.21 0.00 -1.26 -4.32 121.76 119.57 1joq s ALA 90 Ca 0.04 1.35 -0.29 0.00 0.00 0.00 0.00 51.96 53.06 1joq s ALA 90 Cb -0.14 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1joq s ALA 90 CO -0.07 -0.57 1.05 0.71 0.00 0.00 0.00 175.76 176.87 1joq s TYR 91 N -2.44 3.27 0.10 0.00 2.02 -0.99 -4.41 117.35 114.90 1joq s TYR 91 Ca 0.05 1.36 -0.15 0.00 -0.37 0.00 0.00 57.07 57.96 1joq s TYR 91 Cb -0.01 -3.42 -0.07 0.00 -0.40 0.00 0.00 41.96 38.06 1joq s TYR 91 CO -0.06 -0.59 0.51 0.42 -1.57 0.00 0.00 175.55 174.27 1joq s ILE 92 N 3.36 4.89 -0.09 2.71 1.01 -1.26 -2.10 121.20 129.72 1joq s ILE 92 Ca 0.44 0.87 0.03 0.00 0.00 0.00 0.00 60.65 61.99 1joq s ILE 92 Cb -0.14 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.58 1joq s ILE 92 CO 0.10 0.37 -0.17 -0.31 0.00 0.00 0.00 174.94 174.92 1joq s TYR 93 N -1.32 1.99 -0.07 3.97 1.51 -0.55 -1.54 117.35 121.34 1joq s TYR 93 Ca 0.33 -0.81 0.05 0.00 -1.01 0.00 0.00 57.07 55.63 1joq s TYR 93 Cb -0.16 -1.39 -0.01 0.00 -0.11 0.00 0.00 41.96 40.30 1joq s TYR 93 CO 0.18 -0.37 -0.24 0.00 -1.11 0.00 0.00 175.55 174.01 1joq s ALA 94 N 0.59 2.11 -0.97 3.71 0.00 -0.00 -2.42 121.76 124.78 1joq s ALA 94 Ca -0.15 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1joq s ALA 94 Cb -0.17 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.25 1joq s ALA 94 CO 0.05 0.36 0.00 -0.25 0.00 0.00 0.00 175.76 175.92 1joq n ASP 95 N 3.18 -5.07 0.00 0.00 8.00 -1.10 -1.38 116.55 120.18 1joq n ASP 95 Ca -0.18 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1joq n ASP 95 Cb 0.52 -3.37 0.00 0.00 -0.02 0.00 0.00 41.12 38.25 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 -0.58 0.54 3.33 0.44 0.00 -1.26 -5.02 105.19 102.65 1joq n GLY 96 Ca -0.09 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.51 1.30 -0.45 1.61 2.20 -0.48 -5.09 119.74 117.32 1joq s LYS 97 Ca 0.00 -1.61 -0.29 0.00 -0.36 0.00 0.00 55.97 53.71 1joq s LYS 97 Cb 0.00 -0.83 0.01 0.00 -1.51 0.00 0.00 37.83 35.50 1joq s LYS 97 CO 0.00 0.04 1.40 1.41 -0.36 0.00 0.00 175.35 177.84 1joq s MET 98 N -3.76 3.52 0.21 4.03 -2.45 -1.26 -0.82 119.30 118.76 1joq s MET 98 Ca 0.24 0.81 -0.10 0.00 -1.25 0.00 0.00 55.69 55.39 1joq s MET 98 Cb 0.03 -4.04 0.28 0.00 1.25 0.00 0.00 34.83 32.35 1joq s MET 98 CO 0.07 -1.64 1.74 0.28 1.05 0.00 0.00 175.02 176.51 1joq h VAL 99 N 6.44 0.76 -0.79 10.11 2.07 -1.59 -0.25 116.25 132.99 1joq h VAL 99 Ca -0.27 -0.13 0.10 0.00 0.82 0.00 0.00 66.70 67.22 1joq h VAL 99 Cb 1.10 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 31.13 1joq h VAL 99 CO 1.11 0.07 0.44 0.78 0.02 0.00 0.00 177.57 179.99 1joq h ASN 100 N 0.39 0.60 -0.10 0.57 4.21 -1.90 0.64 115.58 119.99 1joq h ASN 100 Ca 0.31 0.06 -0.05 0.00 1.21 0.00 0.00 56.30 57.82 1joq h ASN 100 Cb 0.39 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.52 1joq h ASN 100 CO -0.32 0.34 -0.08 -0.08 -1.29 0.00 0.00 177.43 176.00 1joq h GLU 101 N 0.72 0.40 -0.02 0.81 4.81 -1.46 -2.74 114.58 117.11 1joq h GLU 101 Ca 0.39 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1joq h GLU 101 Cb 0.39 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1joq h GLU 101 CO -0.26 0.50 -0.03 0.00 -0.73 0.00 0.00 179.01 178.48 1joq h ALA 102 N 1.54 -0.02 0.07 2.92 0.00 0.11 -0.35 119.26 123.55 1joq h ALA 102 Ca 0.08 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1joq h ALA 102 Cb 0.39 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1joq h ALA 102 CO 0.02 -0.52 -0.14 -0.07 0.00 0.00 0.00 179.25 178.53 1joq h LEU 103 N -0.05 -0.39 -2.57 0.00 3.38 -1.22 0.59 115.31 115.04 1joq h LEU 103 Ca 0.02 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1joq h LEU 103 Cb 0.08 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1joq h LEU 103 CO -0.05 -0.21 0.11 0.58 0.09 0.00 0.00 178.44 178.97 1joq h VAL 104 N -0.28 0.15 -0.17 1.22 2.07 -1.23 -0.66 116.25 117.35 1joq h VAL 104 Ca 0.03 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.39 1joq h VAL 104 Cb 0.30 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1joq h VAL 104 CO -0.09 0.00 -0.49 -0.09 0.02 0.00 0.00 177.57 176.93 1joq h ARG 105 N 0.00 0.64 -0.72 1.57 9.65 0.89 -3.00 114.38 123.41 1joq h ARG 105 Ca 0.02 -0.45 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 1joq h ARG 105 Cb 0.25 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 1joq h ARG 105 CO -0.00 1.07 0.00 0.94 2.80 0.00 0.00 179.97 184.78 1joq n GLN 106 N -4.18 3.33 -3.89 0.20 7.27 -0.32 -4.85 117.38 114.94 1joq n GLN 106 Ca -0.07 -1.93 -0.30 0.00 0.07 0.00 0.00 57.00 54.78 1joq n GLN 106 Cb 0.59 -1.94 0.00 0.00 2.41 0.00 0.00 30.24 31.30 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 0.44 -0.56 0.01 1.69 0.00 -0.82 -4.56 105.19 101.39 1joq n GLY 107 Ca 0.17 0.28 0.01 0.00 0.00 0.00 0.00 46.02 46.48 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 -4.41 0.00 -4.67 0.99 4.77 -0.88 -3.09 117.00 109.71 1joq n LEU 108 Ca -0.21 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.46 1joq n LEU 108 Cb 0.64 0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.71 1joq n LEU 108 CO 0.73 0.05 -0.22 0.00 -1.33 0.00 0.00 177.39 176.62 1joq s ALA 109 N -2.32 3.71 0.03 -1.18 0.00 -1.26 -4.73 121.76 116.01 1joq s ALA 109 Ca -0.02 -0.56 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 1joq s ALA 109 Cb 0.03 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 1joq s ALA 109 CO 0.25 -0.16 -0.03 0.15 0.00 0.00 0.00 175.76 175.97 1joq s LYS 110 N -3.79 0.45 0.16 0.00 1.02 -0.92 -4.71 119.74 111.95 1joq s LYS 110 Ca 0.11 -0.89 -0.28 0.00 0.02 0.00 0.00 55.97 54.93 1joq s LYS 110 Cb 0.01 0.16 -0.07 0.00 -0.52 0.00 0.00 37.83 37.40 1joq s LYS 110 CO 0.07 -0.08 0.86 0.08 -0.92 0.00 0.00 175.35 175.36 1joq s VAL 111 N -2.62 4.36 0.03 3.17 1.01 -1.26 -1.56 120.40 123.54 1joq s VAL 111 Ca -0.05 1.89 -0.26 0.00 0.00 0.00 0.00 61.98 63.55 1joq s VAL 111 Cb -0.02 -4.23 0.09 0.00 0.00 0.00 0.00 36.38 32.22 1joq s VAL 111 CO -0.05 0.45 1.21 0.00 0.00 0.00 0.00 175.10 176.71 1joq n ALA 112 N 1.98 -3.36 -3.07 5.51 0.00 -0.82 -4.91 120.51 115.84 1joq n ALA 112 Ca -0.02 -0.86 -0.03 0.00 0.00 0.00 0.00 53.44 52.53 1joq n ALA 112 Cb 0.48 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.20 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 -0.87 -3.01 -3.40 0.00 4.01 -1.26 -3.80 117.16 108.84 1joq n TYR 113 Ca 0.03 1.16 -0.45 0.00 -0.16 0.00 0.00 57.90 58.48 1joq n TYR 113 Cb 0.58 -4.03 -0.05 0.00 -0.31 0.00 0.00 39.34 35.53 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 -2.93 5.05 -0.15 -0.72 1.01 -1.26 -4.18 120.40 117.21 1joq s VAL 114 Ca 0.04 -2.08 -0.01 0.00 0.00 0.00 0.00 61.98 59.93 1joq s VAL 114 Cb -0.01 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1joq s VAL 114 CO 0.76 -0.92 -0.12 -0.31 0.00 0.00 0.00 175.10 174.52 1joq s TYR 115 N 0.83 2.84 0.39 5.22 1.51 -1.26 -5.05 117.35 121.83 1joq s TYR 115 Ca 0.11 -0.74 -0.12 0.00 -1.01 0.00 0.00 57.07 55.30 1joq s TYR 115 Cb -0.21 -1.90 -0.07 0.00 -0.11 0.00 0.00 41.96 39.67 1joq s TYR 115 CO -0.03 -0.30 0.77 0.15 -1.11 0.00 0.00 175.55 175.03 1joq s LYS 116 N 0.61 3.86 -0.09 -0.62 1.02 -1.26 0.55 119.74 123.81 1joq s LYS 116 Ca -0.07 0.56 0.03 0.00 0.02 0.00 0.00 55.97 56.52 1joq s LYS 116 Cb -0.15 -2.39 0.24 0.00 -0.52 0.00 0.00 37.83 35.00 1joq s LYS 116 CO 0.03 0.01 1.00 -0.35 -0.92 0.00 0.00 175.35 175.12 1joq n PRO 117 N -1.02 1.94 -2.12 -1.68 -0.04 -1.26 -5.00 135.00 125.82 1joq n PRO 117 Ca 0.03 -0.94 -0.42 0.00 -0.04 0.00 0.00 63.50 62.12 1joq n PRO 117 Cb 0.54 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 4.38 -0.77 3.54 3.02 0.19 -4.07 115.26 121.69 1joq n ASN 118 Ca 0.11 -2.89 -0.04 0.00 -0.03 0.00 0.00 54.58 51.73 1joq n ASN 118 Cb 0.64 -1.68 -0.04 0.00 -0.61 0.00 0.00 39.78 38.09 1joq n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1joq n ASN 119 N 6.78 -0.59 -0.16 6.41 0.23 -1.26 -4.02 115.26 122.66 1joq n ASN 119 Ca 0.50 -1.35 -0.02 0.00 -0.53 0.00 0.00 54.58 53.18 1joq n ASN 119 Cb 0.42 0.18 0.07 0.00 -2.08 0.00 0.00 39.78 38.36 1joq n ASN 119 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1joq h THR 120 N 3.82 0.64 -1.93 5.53 1.03 -1.96 -1.85 112.91 118.19 1joq h THR 120 Ca -0.33 -0.05 -0.74 0.00 -0.01 0.00 0.00 66.41 65.27 1joq h THR 120 Cb 1.09 0.47 -0.30 0.00 -1.07 0.00 0.00 68.15 68.35 1joq h THR 120 CO -0.17 0.03 0.76 1.41 -0.01 0.00 0.00 175.52 177.54 1joq n HIS 121 N -5.19 3.05 -0.10 0.00 8.25 -1.26 -4.64 115.22 115.34 1joq n HIS 121 Ca 0.06 -2.47 -0.19 0.00 -0.26 0.00 0.00 57.72 54.86 1joq n HIS 121 Cb 0.27 -1.00 -0.11 0.00 1.12 0.00 0.00 29.99 30.27 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 2.97 0.00 -0.35 -0.41 4.22 -1.72 -3.26 114.58 116.04 1joq h GLU 122 Ca 0.52 0.00 0.10 0.00 0.08 0.00 0.00 59.36 60.06 1joq h GLU 122 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1joq h GLU 122 CO 1.33 0.90 0.30 1.96 -2.18 0.00 0.00 179.01 181.32 1joq h GLN 123 N -1.00 0.00 0.31 1.92 7.50 -1.82 -0.37 115.11 121.65 1joq h GLN 123 Ca -0.26 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 58.87 1joq h GLN 123 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.70 1joq h GLN 123 CO -0.16 0.00 -0.15 1.25 -1.50 0.00 0.00 178.83 178.27 1joq h LEU 124 N 0.00 -0.35 -2.26 1.46 5.85 -1.90 -2.39 115.31 115.71 1joq h LEU 124 Ca 0.16 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1joq h LEU 124 Cb 0.76 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 1joq h LEU 124 CO -0.00 0.10 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.13 1joq h LEU 125 N -0.91 0.00 -0.05 2.25 3.38 -1.44 -2.41 115.31 116.14 1joq h LEU 125 Ca -0.04 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1joq h LEU 125 Cb 0.52 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.27 1joq h LEU 125 CO 0.07 0.00 -0.35 -0.09 0.09 0.00 0.00 178.44 178.16 1joq h ARG 126 N 0.00 0.33 0.75 1.13 9.65 -0.99 -1.64 114.38 123.60 1joq h ARG 126 Ca -0.00 -0.29 -0.04 0.00 -1.10 0.00 0.00 59.98 58.56 1joq h ARG 126 Cb 0.24 0.07 0.01 0.00 -1.39 0.00 0.00 29.97 28.90 1joq h ARG 126 CO 0.00 0.94 -0.36 -0.22 2.80 0.00 0.00 179.97 183.13 1joq h LYS 127 N -0.20 -0.97 -0.98 0.20 3.64 -1.02 -1.59 116.57 115.65 1joq h LYS 127 Ca -0.03 0.07 0.22 0.00 -1.27 0.00 0.00 60.65 59.63 1joq h LYS 127 Cb 1.03 0.22 -0.09 0.00 -0.41 0.00 0.00 32.23 32.98 1joq h LYS 127 CO 0.07 -0.63 0.62 0.77 -2.27 0.00 0.00 179.45 178.02 1joq h SER 128 N -1.19 0.55 -0.44 4.20 0.02 -1.56 0.20 113.55 115.34 1joq h SER 128 Ca -0.10 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1joq h SER 128 Cb 0.79 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 1joq h SER 128 CO 0.17 0.18 0.22 -0.08 -1.14 0.00 0.00 176.83 176.18 1joq h GLU 129 N 0.53 0.62 0.00 3.45 4.81 -0.97 -1.26 114.58 121.77 1joq h GLU 129 Ca 0.55 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.67 1joq h GLU 129 Cb 1.17 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1joq h GLU 129 CO -0.28 0.52 -0.08 0.00 -0.73 0.00 0.00 179.01 178.44 1joq h ALA 130 N 1.07 1.46 -0.22 2.92 0.00 0.36 -1.21 119.26 123.64 1joq h ALA 130 Ca 0.15 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1joq h ALA 130 Cb 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1joq h ALA 130 CO -0.02 0.10 -0.20 0.37 0.00 0.00 0.00 179.25 179.50 1joq h GLN 131 N 0.00 0.53 0.00 0.00 4.15 -0.31 -2.71 115.11 116.77 1joq h GLN 131 Ca -0.00 -0.27 -0.09 0.00 0.77 0.00 0.00 58.65 59.06 1joq h GLN 131 Cb 0.20 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1joq h GLN 131 CO 0.01 0.85 -0.44 0.00 -1.93 0.00 0.00 178.83 177.32 1joq h ALA 132 N 0.66 1.17 0.21 3.38 0.00 -0.88 -1.85 119.26 121.96 1joq h ALA 132 Ca 0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1joq h ALA 132 Cb 0.75 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1joq h ALA 132 CO 0.05 0.55 -0.10 -0.22 0.00 0.00 0.00 179.25 179.53 1joq h LYS 133 N 0.00 -0.28 0.00 0.00 3.64 -1.05 -0.69 116.57 118.19 1joq h LYS 133 Ca -0.00 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1joq h LYS 133 Cb 0.83 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1joq h LYS 133 CO 0.06 -0.11 -0.13 0.87 -2.27 0.00 0.00 179.45 177.86 1joq h LYS 134 N -0.38 0.00 0.00 1.90 1.79 -1.42 -2.24 116.57 116.22 1joq h LYS 134 Ca -0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1joq h LYS 134 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1joq h LYS 134 CO 0.05 0.13 0.00 0.93 -1.08 0.00 0.00 179.45 179.48 1joq h GLU 135 N 0.00 0.00 -5.95 3.15 4.39 -0.71 -3.47 114.58 111.98 1joq h GLU 135 Ca -0.00 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.36 1joq h GLU 135 Cb 0.62 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 29.37 1joq h GLU 135 CO 0.02 0.00 -0.84 1.63 -1.16 0.00 0.00 179.01 178.66 1joq n LYS 136 N -2.82 -1.52 -3.77 2.33 4.76 -0.32 -4.88 118.16 111.94 1joq n LYS 136 Ca 0.03 0.69 -0.37 0.00 -2.87 0.00 0.00 58.31 55.80 1joq n LYS 136 Cb 0.43 -4.66 -0.13 0.00 -1.84 0.00 0.00 35.03 28.83 1joq n LYS 136 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1joq s LEU 137 N -5.85 3.47 0.00 -0.35 0.20 -1.24 -3.36 118.68 111.55 1joq s LEU 137 Ca 0.40 -0.34 0.00 0.00 0.69 0.00 0.00 54.13 54.88 1joq s LEU 137 Cb -0.11 -1.89 0.00 0.00 -0.43 0.00 0.00 46.19 43.75 1joq s LEU 137 CO 0.82 -0.07 0.00 0.59 -0.29 0.00 0.00 176.35 177.40 1joq n ASN 138 N 4.90 0.00 0.21 3.68 3.02 -1.26 -2.98 115.26 122.84 1joq n ASN 138 Ca -0.16 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.25 1joq n ASN 138 Cb 0.51 0.00 -0.07 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 0.00 0.00 2.41 2.04 -1.87 0.11 117.51 120.20 1joq h ILE 139 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1joq h ILE 139 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 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 -4.73 0.00 -2.69 1.37 7.02 -1.16 -4.37 117.44 112.88 1joq n TRP 140 Ca -0.09 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.97 1joq n TRP 140 Cb 0.35 -0.35 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 1joq n TRP 140 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1joq s SER 141 N -2.70 6.37 0.00 -0.99 0.15 0.03 -4.27 113.70 112.30 1joq s SER 141 Ca 0.08 -1.23 0.00 0.00 0.70 0.00 0.00 55.95 55.50 1joq s SER 141 Cb 0.07 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1joq s SER 141 CO 0.16 -1.49 0.00 -0.62 1.20 0.00 0.00 173.24 172.49 1joq n GLU 142 N 8.30 0.00 -1.45 5.44 1.02 -1.26 -4.68 120.64 128.01 1joq n GLU 142 Ca 0.16 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.48 1joq n GLU 142 Cb 0.49 -0.09 -0.08 0.00 -0.02 0.00 0.00 31.44 31.74 1joq n GLU 142 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1joq n ASP 143 N -2.37 -8.35 -3.85 1.62 2.03 -1.26 -4.49 116.55 99.88 1joq n ASP 143 Ca 0.00 1.21 -0.38 0.00 0.52 0.00 0.00 54.79 56.14 1joq n ASP 143 Cb 0.00 -4.80 -0.02 0.00 -0.72 0.00 0.00 41.12 35.58 1joq n ASP 143 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1joq n ASN 144 N -4.33 5.58 -0.03 1.67 5.15 -1.26 -4.66 115.26 117.38 1joq n ASN 144 Ca -0.06 -3.41 0.01 0.00 -0.60 0.00 0.00 54.58 50.52 1joq n ASN 144 Cb 0.68 -1.09 -0.10 0.00 -0.53 0.00 0.00 39.78 38.74 1joq n ASN 144 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1joq n ALA 145 N 1.24 2.17 -3.21 5.20 0.00 -1.26 -4.99 120.51 119.65 1joq n ALA 145 Ca 0.27 -0.52 0.04 0.00 0.00 0.00 0.00 53.44 53.23 1joq n ALA 145 Cb 0.36 -0.27 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 1joq n ALA 145 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1joq s ASP 146 N -3.92 -0.25 0.00 0.00 -1.08 -1.26 -5.17 116.67 104.99 1joq s ASP 146 Ca -0.05 0.26 0.00 0.00 -0.52 0.00 0.00 52.55 52.24 1joq s ASP 146 Cb 0.06 1.25 0.00 0.00 -1.46 0.00 0.00 42.92 42.78 1joq s ASP 146 CO 0.53 -0.05 0.00 -0.24 0.52 0.00 0.00 175.17 175.93 1joq n SER 147 N 5.02 0.00 0.00 -0.34 2.88 -1.26 -5.05 113.62 114.87 1joq n SER 147 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1joq n SER 147 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1joq n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1joq n GLY 148 N -0.08 2.03 0.00 0.46 0.00 -1.26 -5.17 105.19 101.17 1joq n GLY 148 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1joq n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93