#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkj s SER 1 N 0.00 4.08 -0.09 1.61 1.04 -1.21 -4.99 113.70 114.14 2jkj s SER 1 Ca 0.00 -0.25 -0.01 0.00 0.48 0.00 0.00 55.95 56.17 2jkj s SER 1 Cb 0.00 -0.83 -0.03 0.00 0.10 0.00 0.00 66.02 65.26 2jkj s SER 1 CO 0.00 0.31 -0.03 0.12 0.98 0.00 0.00 173.24 174.61 2jkj s PHE 2 N -0.84 3.05 -0.23 5.02 2.19 -1.26 -2.42 117.98 123.48 2jkj s PHE 2 Ca 0.14 0.04 -0.01 0.00 0.33 0.00 0.00 56.93 57.42 2jkj s PHE 2 Cb -0.11 -1.78 0.02 0.00 -1.31 0.00 0.00 43.02 39.84 2jkj s PHE 2 CO 0.03 0.33 -0.09 0.99 1.83 0.00 0.00 175.22 178.31 2jkj s THR 3 N -0.64 2.80 -0.03 0.12 2.01 -0.13 -4.98 115.64 114.78 2jkj s THR 3 Ca 0.10 -0.89 -0.30 0.00 0.31 0.00 0.00 61.69 60.91 2jkj s THR 3 Cb -0.12 -2.34 -0.06 0.00 0.01 0.00 0.00 72.50 69.99 2jkj s THR 3 CO 0.02 0.32 1.70 -2.84 -0.69 0.00 0.00 174.62 173.13 2jkj s PRO 4 N 1.35 4.18 -0.48 4.92 0.02 -1.26 -1.68 135.00 142.04 2jkj s PRO 4 Ca 0.02 2.26 0.05 0.00 0.02 0.00 0.00 61.00 63.36 2jkj s PRO 4 Cb -0.15 -4.00 0.22 0.00 0.02 0.00 0.00 34.50 30.59 2jkj s PRO 4 CO -0.06 -0.86 0.86 0.45 -0.33 0.00 0.00 177.00 177.06 2jkj n SER 5 N 7.12 -2.95 0.00 2.53 2.88 -0.43 -4.94 113.62 117.82 2jkj n SER 5 Ca 0.18 -2.92 0.00 0.00 -1.33 0.00 0.00 58.87 54.79 2jkj n SER 5 Cb 0.42 1.67 0.00 0.00 -0.75 0.00 0.00 64.21 65.56 2jkj n SER 5 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jkj n GLY 6 N 2.22 -1.88 3.95 0.46 0.00 -1.03 -3.65 105.19 105.26 2jkj n GLY 6 Ca 0.12 -1.19 -0.23 0.00 0.00 0.00 0.00 46.02 44.72 2jkj n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jkj s THR 7 N -2.56 2.45 -0.12 2.61 -4.23 -1.26 -4.49 115.64 108.04 2jkj s THR 7 Ca 0.00 -0.47 -0.03 0.00 -1.18 0.00 0.00 61.69 60.01 2jkj s THR 7 Cb 0.00 -2.98 -0.03 0.00 1.34 0.00 0.00 72.50 70.83 2jkj s THR 7 CO 0.00 0.00 -0.01 -0.89 -0.54 0.00 0.00 174.62 173.18 2jkj s THR 8 N -3.02 4.15 -0.11 3.99 2.01 -1.26 -1.54 115.64 119.85 2jkj s THR 8 Ca 0.59 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.31 2jkj s THR 8 Cb -0.10 -2.78 -0.02 0.00 0.01 0.00 0.00 72.50 69.61 2jkj s THR 8 CO 0.42 0.55 -0.12 -0.83 -0.69 0.00 0.00 174.62 173.94 2jkj s GLY 9 N -0.30 1.56 -0.15 4.40 0.00 0.24 -4.98 107.32 108.09 2jkj s GLY 9 Ca 0.06 -0.90 -0.00 0.00 0.00 0.00 0.00 44.72 43.88 2jkj s GLY 9 CO 0.02 -0.32 -0.14 -1.59 0.00 0.00 0.00 173.10 171.08 2jkj s THR 10 N 0.09 2.84 -0.37 0.90 2.01 -1.26 -1.27 115.64 118.57 2jkj s THR 10 Ca -0.05 -0.71 -0.12 0.00 0.31 0.00 0.00 61.69 61.12 2jkj s THR 10 Cb -0.15 -2.21 0.02 0.00 0.01 0.00 0.00 72.50 70.18 2jkj s THR 10 CO 0.04 0.51 0.22 -0.89 -0.69 0.00 0.00 174.62 173.81 2jkj s THR 11 N 0.76 4.76 -0.08 -0.82 2.01 -0.28 -4.97 115.64 117.02 2jkj s THR 11 Ca -0.06 -0.72 -0.01 0.00 0.31 0.00 0.00 61.69 61.21 2jkj s THR 11 Cb -0.15 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 2jkj s THR 11 CO 0.01 -0.20 -0.01 -0.54 -0.69 0.00 0.00 174.62 173.20 2jkj s LYS 12 N 1.60 2.94 -0.14 4.92 1.02 -1.26 -1.52 119.74 127.29 2jkj s LYS 12 Ca 0.03 -0.44 -0.08 0.00 0.02 0.00 0.00 55.97 55.50 2jkj s LYS 12 Cb -0.19 -2.76 0.05 0.00 -0.52 0.00 0.00 37.83 34.42 2jkj s LYS 12 CO 0.07 0.69 0.34 -1.17 -0.92 0.00 0.00 175.35 174.36 2jkj s LEU 13 N -0.93 0.19 -0.25 3.17 2.96 0.04 -4.60 118.68 119.26 2jkj s LEU 13 Ca 0.14 0.72 -0.08 0.00 -0.22 0.00 0.00 54.13 54.69 2jkj s LEU 13 Cb -0.11 1.08 -0.03 0.00 0.50 0.00 0.00 46.19 47.63 2jkj s LEU 13 CO 0.03 -0.17 0.09 -0.89 -1.32 0.00 0.00 176.35 174.09 2jkj s THR 14 N 1.22 4.57 -0.14 3.68 2.01 -0.62 0.59 115.64 126.96 2jkj s THR 14 Ca -0.08 -0.09 -0.11 0.00 0.31 0.00 0.00 61.69 61.72 2jkj s THR 14 Cb -0.09 -3.13 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 2jkj s THR 14 CO -0.10 0.34 0.21 -0.69 -0.69 0.00 0.00 174.62 173.69 2jkj s VAL 15 N 1.46 5.37 0.29 3.82 1.01 0.94 -0.98 120.40 132.31 2jkj s VAL 15 Ca 0.06 0.37 0.05 0.00 0.00 0.00 0.00 61.98 62.46 2jkj s VAL 15 Cb -0.15 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 2jkj s VAL 15 CO 0.05 0.50 0.18 0.35 0.00 0.00 0.00 175.10 176.18 2jkj n THR 16 N 2.81 0.00 -1.34 3.92 -2.24 0.23 -0.85 114.28 116.82 2jkj n THR 16 Ca -0.16 -1.92 0.00 0.00 -2.27 0.00 0.00 64.05 59.70 2jkj n THR 16 Cb 0.53 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 2jkj n THR 16 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jkj n GLU 17 N -0.61 1.70 -0.11 -0.78 1.02 -1.26 -1.37 120.64 119.23 2jkj n GLU 17 Ca 0.01 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.04 2jkj n GLU 17 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.88 2jkj n GLU 17 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2jkj h LYS 18 N 0.00 0.63 -6.35 3.49 1.57 -1.98 -3.38 116.57 110.56 2jkj h LYS 18 Ca 0.00 -0.23 -0.54 0.00 -1.87 0.00 0.00 60.65 58.01 2jkj h LYS 18 Cb 0.00 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.20 2jkj h LYS 18 CO 0.00 0.79 1.10 0.00 -0.57 0.00 0.00 179.45 180.78 2jkj s GLN 20 N 5.76 3.67 -0.46 0.00 0.74 -1.26 -5.04 119.66 123.06 2jkj s GLN 20 Ca 0.45 -0.47 -0.03 0.00 0.05 0.00 0.00 55.36 55.36 2jkj s GLN 20 Cb -0.09 -3.31 0.12 0.00 1.10 0.00 0.00 33.01 30.83 2jkj s GLN 20 CO 0.20 -0.16 0.26 0.08 -0.55 0.00 0.00 175.29 175.12 2jkj s VAL 21 N 1.53 3.36 -0.34 1.34 1.01 -1.26 -5.07 120.40 120.97 2jkj s VAL 21 Ca 0.06 -2.28 -0.26 0.00 0.00 0.00 0.00 61.98 59.50 2jkj s VAL 21 Cb -0.15 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 32.96 2jkj s VAL 21 CO 0.03 -0.73 0.94 -0.13 0.00 0.00 0.00 175.10 175.21 2jkj s ARG 22 N 0.85 3.94 -0.14 2.72 0.52 -1.26 -5.03 118.95 120.54 2jkj s ARG 22 Ca 0.10 0.73 -0.04 0.00 -0.52 0.00 0.00 55.73 56.01 2jkj s ARG 22 Cb -0.22 -3.76 -0.03 0.00 0.52 0.00 0.00 34.95 31.45 2jkj s ARG 22 CO -0.04 -0.87 -0.01 0.08 0.02 0.00 0.00 175.30 174.48 2jkj s VAL 23 N 3.40 4.12 0.00 3.52 1.01 -1.26 -5.02 120.40 126.17 2jkj s VAL 23 Ca 0.39 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2jkj s VAL 23 Cb -0.13 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.46 2jkj s VAL 23 CO 0.16 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.38 2jkj n GLY 24 N 3.22 -0.94 3.73 4.51 0.00 -1.26 -4.90 105.19 109.55 2jkj n GLY 24 Ca -0.17 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 2jkj n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jkj s ASP 25 N -4.00 4.55 0.31 1.61 -0.00 -1.26 -4.94 116.67 112.94 2jkj s ASP 25 Ca 0.00 2.40 -0.30 0.00 -0.00 0.00 0.00 52.55 54.65 2jkj s ASP 25 Cb 0.00 -2.60 -0.11 0.00 -0.00 0.00 0.00 42.92 40.21 2jkj s ASP 25 CO 0.00 -2.03 1.56 -0.22 -0.00 0.00 0.00 175.17 174.49 2jkj s LEU 26 N -4.73 4.34 0.15 1.23 2.96 -1.26 -5.02 118.68 116.35 2jkj s LEU 26 Ca 0.76 2.96 -0.07 0.00 -0.22 0.00 0.00 54.13 57.56 2jkj s LEU 26 Cb -0.31 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 42.73 2jkj s LEU 26 CO 0.41 -0.90 0.22 0.42 -1.32 0.00 0.00 176.35 175.18 2jkj s THR 27 N -0.24 0.08 -0.30 3.68 -4.23 -1.26 -5.11 115.64 108.26 2jkj s THR 27 Ca 0.61 -1.51 -0.29 0.00 -1.18 0.00 0.00 61.69 59.32 2jkj s THR 27 Cb -0.47 -1.86 -0.02 0.00 1.34 0.00 0.00 72.50 71.49 2jkj s THR 27 CO 0.51 -0.37 1.74 -0.69 -0.54 0.00 0.00 174.62 175.28 2jkj s VAL 28 N -3.98 3.54 0.02 2.29 1.01 -1.26 -4.97 120.40 117.04 2jkj s VAL 28 Ca 0.18 0.57 0.02 0.00 0.00 0.00 0.00 61.98 62.75 2jkj s VAL 28 Cb 0.04 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 2jkj s VAL 28 CO -0.00 -0.39 -0.07 0.00 0.00 0.00 0.00 175.10 174.64 2jkj s ALA 29 N 6.34 0.58 0.07 5.51 0.00 -1.26 -1.59 121.76 131.42 2jkj s ALA 29 Ca 0.77 -0.50 -0.09 0.00 0.00 0.00 0.00 51.96 52.14 2jkj s ALA 29 Cb -0.23 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.83 2jkj s ALA 29 CO 0.33 0.08 0.20 0.15 0.00 0.00 0.00 175.76 176.51 2jkj s LYS 30 N -0.79 0.79 0.23 0.00 1.02 -0.15 -4.95 119.74 115.89 2jkj s LYS 30 Ca -0.02 -0.81 -0.11 0.00 0.02 0.00 0.00 55.97 55.05 2jkj s LYS 30 Cb -0.06 0.32 -0.07 0.00 -0.52 0.00 0.00 37.83 37.50 2jkj s LYS 30 CO 0.00 -0.24 0.57 0.95 -0.92 0.00 0.00 175.35 175.71 2jkj s THR 31 N -3.29 4.89 0.42 2.17 -4.23 -1.26 -0.60 115.64 113.74 2jkj s THR 31 Ca 0.01 0.57 0.18 0.00 -1.18 0.00 0.00 61.69 61.26 2jkj s THR 31 Cb 0.02 -3.63 0.38 0.00 1.34 0.00 0.00 72.50 70.62 2jkj s THR 31 CO -0.08 -0.06 1.84 0.08 -0.54 0.00 0.00 174.62 175.86 2jkj h ARG 32 N 2.59 0.39 -0.00 3.99 0.11 -1.50 0.37 114.38 120.34 2jkj h ARG 32 Ca -0.47 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.59 2jkj h ARG 32 Cb 1.17 -0.09 -0.00 0.00 1.11 0.00 0.00 29.97 32.16 2jkj h ARG 32 CO 0.68 0.26 0.00 0.78 0.10 0.00 0.00 179.97 181.79 2jkj h GLY 33 N 0.40 0.00 1.49 0.08 0.00 -1.86 0.41 103.07 103.61 2jkj h GLY 33 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 2jkj h GLY 33 CO -0.19 0.00 -0.29 -1.06 0.00 0.00 0.00 176.54 174.99 2jkj n GLN 34 N -3.40 0.10 -1.03 4.80 6.02 0.13 -4.35 117.38 119.64 2jkj n GLN 34 Ca -0.03 0.05 -0.26 0.00 -0.01 0.00 0.00 57.00 56.75 2jkj n GLN 34 Cb 0.08 -1.58 -0.06 0.00 1.02 0.00 0.00 30.24 29.69 2jkj n GLN 34 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2jkj n LEU 35 N -1.73 6.51 -4.90 1.08 4.77 0.14 -4.85 117.00 118.00 2jkj n LEU 35 Ca 0.06 -3.52 -0.28 0.00 -0.03 0.00 0.00 56.01 52.24 2jkj n LEU 35 Cb 0.37 -1.34 -0.00 0.00 -2.33 0.00 0.00 43.42 40.12 2jkj n LEU 35 CO 0.32 1.52 0.44 0.42 -1.33 0.00 0.00 177.39 178.76 2jkj s THR 36 N 2.16 4.90 0.16 -5.08 -4.23 -1.26 -1.69 115.64 110.60 2jkj s THR 36 Ca 0.59 0.23 -0.34 0.00 -1.18 0.00 0.00 61.69 60.99 2jkj s THR 36 Cb 0.19 -3.85 -0.14 0.00 1.34 0.00 0.00 72.50 70.04 2jkj s THR 36 CO -0.03 -0.82 1.58 -0.67 -0.54 0.00 0.00 174.62 174.14 2jkj n ASP 37 N -2.16 3.09 0.00 3.99 2.03 -1.26 -1.43 116.55 120.81 2jkj n ASP 37 Ca 0.01 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.40 2jkj n ASP 37 Cb 0.55 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 2jkj n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jkj n ALA 38 N 3.48 0.00 -1.73 -1.67 0.00 0.10 -4.94 120.51 115.75 2jkj n ALA 38 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.19 2jkj n ALA 38 Cb 0.29 -0.14 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 2jkj n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jkj s ALA 39 N -3.48 3.93 0.24 0.00 0.00 -0.52 -4.49 121.76 117.44 2jkj s ALA 39 Ca 0.00 1.58 -0.30 0.00 0.00 0.00 0.00 51.96 53.24 2jkj s ALA 39 Cb 0.00 -3.70 -0.09 0.00 0.00 0.00 0.00 23.12 19.33 2jkj s ALA 39 CO 0.00 -0.93 1.24 -1.25 0.00 0.00 0.00 175.76 174.82 2jkj s PRO 40 N 1.25 4.46 -0.21 0.00 0.04 -1.26 -0.30 135.00 138.97 2jkj s PRO 40 Ca 0.75 2.00 -0.02 0.00 0.04 0.00 0.00 61.00 63.77 2jkj s PRO 40 Cb -0.49 -3.18 -0.13 0.00 0.04 0.00 0.00 34.50 30.74 2jkj s PRO 40 CO 0.32 -0.11 -0.21 -0.89 0.04 0.00 0.00 177.00 176.16 2jkj n ILE 41 N 1.90 1.20 0.00 0.56 5.41 0.19 -4.91 119.36 123.71 2jkj n ILE 41 Ca 0.03 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.36 2jkj n ILE 41 Cb 0.43 -1.38 0.00 0.00 -0.71 0.00 0.00 39.64 37.99 2jkj n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jkj n GLY 42 N 2.28 2.12 3.92 7.39 0.00 -1.20 -5.01 105.19 114.69 2jkj n GLY 42 Ca -0.39 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 44.63 2jkj n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jkj s PRO 43 N -2.00 3.58 -0.24 1.61 0.04 -1.26 -1.48 135.00 135.24 2jkj s PRO 43 Ca 0.00 -0.13 -0.01 0.00 0.04 0.00 0.00 61.00 60.90 2jkj s PRO 43 Cb 0.00 -2.69 0.07 0.00 0.04 0.00 0.00 34.50 31.93 2jkj s PRO 43 CO 0.00 0.23 0.03 0.08 0.04 0.00 0.00 177.00 177.39 2jkj s VAL 44 N -2.09 0.95 0.33 -0.36 1.01 0.85 -4.95 120.40 116.13 2jkj s VAL 44 Ca 0.42 -1.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.08 2jkj s VAL 44 Cb -0.11 -1.48 -0.10 0.00 0.00 0.00 0.00 36.38 34.70 2jkj s VAL 44 CO 0.31 -0.33 1.20 0.42 0.00 0.00 0.00 175.10 176.70 2jkj s THR 45 N 1.63 3.08 -0.05 3.92 -4.23 -1.26 -0.74 115.64 118.00 2jkj s THR 45 Ca 0.01 1.05 0.00 0.00 -1.18 0.00 0.00 61.69 61.57 2jkj s THR 45 Cb -0.18 -3.65 0.02 0.00 1.34 0.00 0.00 72.50 70.04 2jkj s THR 45 CO -0.13 0.21 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.44 2jkj s VAL 46 N -1.22 0.49 -0.21 2.29 1.01 0.30 -4.93 120.40 118.13 2jkj s VAL 46 Ca 0.49 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.39 2jkj s VAL 46 Cb -0.35 -0.56 0.07 0.00 0.00 0.00 0.00 36.38 35.54 2jkj s VAL 46 CO 0.45 0.23 0.05 -1.10 0.00 0.00 0.00 175.10 174.74 2jkj s GLN 47 N 1.21 0.57 0.09 2.72 -1.52 -1.26 -0.83 119.66 120.64 2jkj s GLN 47 Ca -0.07 -0.48 -0.01 0.00 -1.95 0.00 0.00 55.36 52.86 2jkj s GLN 47 Cb -0.14 -2.00 -0.04 0.00 -0.22 0.00 0.00 33.01 30.61 2jkj s GLN 47 CO -0.02 -0.71 0.25 0.00 -0.25 0.00 0.00 175.29 174.56 2jkj s ALA 48 N 1.87 3.96 -0.05 6.09 0.00 -0.56 -5.02 121.76 128.05 2jkj s ALA 48 Ca 0.01 -0.80 -0.03 0.00 0.00 0.00 0.00 51.96 51.14 2jkj s ALA 48 Cb -0.17 -1.89 0.02 0.00 0.00 0.00 0.00 23.12 21.08 2jkj s ALA 48 CO -0.12 0.76 0.12 -0.51 0.00 0.00 0.00 175.76 176.01 2jkj s LEU 49 N -2.63 1.30 -1.01 0.00 1.02 -1.26 -4.58 118.68 111.52 2jkj s LEU 49 Ca 0.36 0.24 -0.00 0.00 0.02 0.00 0.00 54.13 54.75 2jkj s LEU 49 Cb -0.13 0.36 0.00 0.00 0.02 0.00 0.00 46.19 46.44 2jkj s LEU 49 CO 0.27 -0.08 0.02 0.61 0.02 0.00 0.00 176.35 177.20 2jkj n GLY 50 N 3.42 -0.11 1.29 -3.19 0.00 -1.26 -4.93 105.19 100.41 2jkj n GLY 50 Ca -0.17 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 2jkj n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jkj h ASP 52 N 1.38 0.00 -0.08 0.00 3.04 -1.92 -0.79 116.42 118.05 2jkj h ASP 52 Ca 0.21 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.98 2jkj h ASP 52 Cb 1.36 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.64 2jkj h ASP 52 CO 0.44 0.05 -0.15 0.00 -2.04 0.00 0.00 179.24 177.54 2jkj n ALA 53 N -2.36 3.01 -2.18 4.15 0.00 -1.26 -3.25 120.51 118.62 2jkj n ALA 53 Ca -0.03 -2.84 -0.11 0.00 0.00 0.00 0.00 53.44 50.47 2jkj n ALA 53 Cb 0.14 -0.47 -0.10 0.00 0.00 0.00 0.00 19.45 19.02 2jkj n ALA 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jkj s ARG 54 N -3.02 0.90 -0.42 0.00 0.52 -0.98 -4.93 118.95 111.02 2jkj s ARG 54 Ca 0.37 -1.39 -0.16 0.00 -0.52 0.00 0.00 55.73 54.03 2jkj s ARG 54 Cb 0.33 -0.13 0.02 0.00 0.52 0.00 0.00 34.95 35.70 2jkj s ARG 54 CO 0.01 -0.09 0.36 -0.65 0.02 0.00 0.00 175.30 174.95 2jkj s GLN 55 N -3.89 3.02 0.37 3.54 -0.21 -1.25 -1.81 119.66 119.43 2jkj s GLN 55 Ca 0.16 -0.95 -0.26 0.00 0.02 0.00 0.00 55.36 54.34 2jkj s GLN 55 Cb 0.06 -3.99 -0.11 0.00 1.00 0.00 0.00 33.01 29.97 2jkj s GLN 55 CO -0.02 -0.81 1.14 0.28 -2.12 0.00 0.00 175.29 173.76 2jkj n VAL 56 N 5.27 2.26 -3.73 1.09 0.31 -1.26 -0.25 118.33 122.01 2jkj n VAL 56 Ca -0.10 -0.50 -0.12 0.00 -0.01 0.00 0.00 64.34 63.61 2jkj n VAL 56 Cb 0.47 -1.32 -0.07 0.00 -0.91 0.00 0.00 33.84 32.00 2jkj n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jkj s ALA 57 N -1.17 -0.76 -0.07 3.52 0.00 0.42 -0.84 121.76 122.85 2jkj s ALA 57 Ca 0.60 0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.67 2jkj s ALA 57 Cb -0.58 0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.87 2jkj s ALA 57 CO 0.59 -0.42 -0.14 -0.51 0.00 0.00 0.00 175.76 175.28 2jkj s LEU 58 N -2.02 1.70 -0.11 0.00 2.01 -0.43 -1.45 118.68 118.38 2jkj s LEU 58 Ca -0.05 -0.35 -0.00 0.00 0.01 0.00 0.00 54.13 53.74 2jkj s LEU 58 Cb -0.01 -0.93 -0.02 0.00 0.01 0.00 0.00 46.19 45.24 2jkj s LEU 58 CO -0.03 0.05 -0.11 -0.75 1.01 0.00 0.00 176.35 176.52 2jkj s LYS 59 N 0.67 3.23 0.31 1.70 2.20 0.03 -0.56 119.74 127.32 2jkj s LYS 59 Ca -0.14 -0.64 -0.13 0.00 -0.36 0.00 0.00 55.97 54.69 2jkj s LYS 59 Cb -0.16 -2.63 -0.08 0.00 -1.51 0.00 0.00 37.83 33.44 2jkj s LYS 59 CO 0.04 0.33 0.69 0.00 -0.36 0.00 0.00 175.35 176.05 2jkj s ALA 60 N 0.06 3.39 0.59 3.13 0.00 -0.52 -0.14 121.76 128.26 2jkj s ALA 60 Ca -0.04 -0.07 -0.20 0.00 0.00 0.00 0.00 51.96 51.65 2jkj s ALA 60 Cb -0.14 -2.67 -0.03 0.00 0.00 0.00 0.00 23.12 20.27 2jkj s ALA 60 CO 0.04 0.34 1.31 -0.51 0.00 0.00 0.00 175.76 176.94 2jkj s ASP 61 N -2.41 5.04 0.44 0.00 1.11 -0.67 -4.83 116.67 115.34 2jkj s ASP 61 Ca 0.52 2.66 0.26 0.00 0.18 0.00 0.00 52.55 56.17 2jkj s ASP 61 Cb -0.10 -2.62 1.29 0.00 1.07 0.00 0.00 42.92 42.56 2jkj s ASP 61 CO 0.20 -1.71 1.72 0.74 1.18 0.00 0.00 175.17 177.30 2jkj h THR 62 N 1.07 0.36 -0.02 -1.27 2.02 -1.93 0.61 112.91 113.74 2jkj h THR 62 Ca -0.51 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 66.60 2jkj h THR 62 Cb 1.31 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2jkj h THR 62 CO 0.56 0.04 0.00 0.47 0.37 0.00 0.00 175.52 176.96 2jkj n ASP 63 N -4.56 0.23 -0.40 4.18 8.00 -1.26 -3.65 116.55 119.09 2jkj n ASP 63 Ca 0.30 -1.49 0.04 0.00 0.71 0.00 0.00 54.79 54.35 2jkj n ASP 63 Cb 1.15 -0.02 0.07 0.00 -0.02 0.00 0.00 41.12 42.30 2jkj n ASP 63 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2jkj n ASN 64 N -0.62 2.14 -3.93 -2.24 3.02 0.21 -4.71 115.26 109.13 2jkj n ASN 64 Ca 0.14 -1.64 -0.09 0.00 -0.03 0.00 0.00 54.58 52.96 2jkj n ASN 64 Cb 0.10 -0.08 -0.08 0.00 -0.61 0.00 0.00 39.78 39.12 2jkj n ASN 64 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2jkj s PHE 65 N -0.83 0.33 0.00 3.10 -0.12 -1.24 -1.42 117.98 117.79 2jkj s PHE 65 Ca 0.13 -0.73 0.00 0.00 -0.05 0.00 0.00 56.93 56.28 2jkj s PHE 65 Cb 0.08 -0.11 0.00 0.00 -0.63 0.00 0.00 43.02 42.36 2jkj s PHE 65 CO 0.11 -0.60 0.00 -1.91 -0.05 0.00 0.00 175.22 172.77 2jkj n GLU 66 N -0.12 0.00 -0.22 1.99 2.13 -0.35 -4.98 120.64 119.09 2jkj n GLU 66 Ca -0.11 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.74 2jkj n GLU 66 Cb 0.63 0.00 0.14 0.00 0.27 0.00 0.00 31.44 32.47 2jkj n GLU 66 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2jkj h GLN 67 N 0.00 0.18 0.00 5.31 4.20 -2.00 -0.03 115.11 122.77 2jkj h GLN 67 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2jkj h GLN 67 Cb 0.00 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.74 2jkj h GLN 67 CO 0.00 0.12 0.00 0.41 -0.67 0.00 0.00 178.83 178.69 2jkj n GLY 68 N -1.36 0.16 3.83 3.46 0.00 -1.26 -4.06 105.19 105.96 2jkj n GLY 68 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2jkj n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jkj s LYS 69 N -0.21 3.90 0.22 1.61 1.02 -0.03 -4.94 119.74 121.32 2jkj s LYS 69 Ca 0.00 0.37 0.06 0.00 0.02 0.00 0.00 55.97 56.42 2jkj s LYS 69 Cb 0.00 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 2jkj s LYS 69 CO 0.00 0.68 0.19 -0.06 -0.92 0.00 0.00 175.35 175.24 2jkj s PHE 70 N -1.00 3.16 -0.22 3.18 0.40 -1.26 -1.21 117.98 121.04 2jkj s PHE 70 Ca 0.23 -0.07 -0.29 0.00 -0.60 0.00 0.00 56.93 56.20 2jkj s PHE 70 Cb -0.16 -1.46 0.15 0.00 0.51 0.00 0.00 43.02 42.07 2jkj s PHE 70 CO 0.12 0.51 1.15 -0.59 0.70 0.00 0.00 175.22 177.12 2jkj s PHE 71 N -1.99 -0.24 0.51 0.36 -0.12 -0.51 -2.48 117.98 113.50 2jkj s PHE 71 Ca 0.32 0.42 -0.18 0.00 -0.05 0.00 0.00 56.93 57.44 2jkj s PHE 71 Cb -0.09 0.47 -0.08 0.00 -0.63 0.00 0.00 43.02 42.69 2jkj s PHE 71 CO 0.25 -0.21 1.00 -0.51 -0.05 0.00 0.00 175.22 175.70 2jkj s LEU 72 N -1.00 3.71 -0.04 -1.99 1.02 -0.15 -4.56 118.68 115.68 2jkj s LEU 72 Ca 0.03 1.71 0.04 0.00 0.02 0.00 0.00 54.13 55.93 2jkj s LEU 72 Cb -0.01 -4.53 0.00 0.00 0.02 0.00 0.00 46.19 41.67 2jkj s LEU 72 CO -0.03 -0.69 -0.14 -0.51 0.02 0.00 0.00 176.35 175.00 2jkj s ILE 73 N -2.37 1.23 0.91 -0.59 1.10 -0.25 -1.18 121.20 120.04 2jkj s ILE 73 Ca 0.62 -0.59 -0.10 0.00 -0.51 0.00 0.00 60.65 60.06 2jkj s ILE 73 Cb -0.12 -1.07 0.14 0.00 0.15 0.00 0.00 42.46 41.56 2jkj s ILE 73 CO 0.26 0.36 1.13 -0.94 -2.11 0.00 0.00 174.94 173.64 2jkj s SER 74 N 0.17 3.04 0.55 4.50 1.04 -0.55 -1.48 113.70 120.97 2jkj s SER 74 Ca -0.05 2.08 0.25 0.00 0.48 0.00 0.00 55.95 58.71 2jkj s SER 74 Cb -0.11 -2.54 1.46 0.00 0.10 0.00 0.00 66.02 64.93 2jkj s SER 74 CO 0.02 -3.01 2.03 0.44 0.98 0.00 0.00 173.24 173.70 2jkj h ASP 75 N -1.80 0.00 -0.09 7.02 3.32 -1.62 0.70 116.42 123.94 2jkj h ASP 75 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2jkj h ASP 75 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2jkj h ASP 75 CO 0.44 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.50 2jkj n ASN 76 N -4.19 1.29 -0.56 6.45 2.04 -1.26 -4.91 115.26 114.12 2jkj n ASN 76 Ca 0.06 -1.57 -0.07 0.00 -0.44 0.00 0.00 54.58 52.56 2jkj n ASN 76 Cb 0.48 -0.06 -0.03 0.00 -2.53 0.00 0.00 39.78 37.64 2jkj n ASN 76 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 2jkj n ASN 77 N 0.05 -5.08 -0.13 0.53 4.05 0.24 -4.86 115.26 110.07 2jkj n ASN 77 Ca 0.17 0.18 -0.26 0.00 0.45 0.00 0.00 54.58 55.12 2jkj n ASN 77 Cb 0.29 -3.22 -0.11 0.00 1.23 0.00 0.00 39.78 37.97 2jkj n ASN 77 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 2jkj n ARG 78 N -1.20 0.61 -3.48 1.20 0.63 -1.26 -4.92 116.66 108.24 2jkj n ARG 78 Ca -0.07 0.26 -0.38 0.00 -0.92 0.00 0.00 57.85 56.74 2jkj n ARG 78 Cb 0.44 -1.53 -0.06 0.00 0.45 0.00 0.00 32.46 31.76 2jkj n ARG 78 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2jkj s ASP 79 N -7.18 6.71 0.04 6.15 1.01 -1.26 -4.96 116.67 117.18 2jkj s ASP 79 Ca -0.36 0.85 0.04 0.00 0.71 0.00 0.00 52.55 53.79 2jkj s ASP 79 Cb 0.12 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.77 2jkj s ASP 79 CO 0.54 0.23 -0.06 -0.54 0.21 0.00 0.00 175.17 175.55 2jkj s LYS 80 N -0.49 2.47 -0.44 8.23 1.02 -1.26 -1.48 119.74 127.78 2jkj s LYS 80 Ca 0.23 -0.81 0.02 0.00 0.02 0.00 0.00 55.97 55.43 2jkj s LYS 80 Cb -0.16 -2.47 0.13 0.00 -0.52 0.00 0.00 37.83 34.81 2jkj s LYS 80 CO 0.11 0.57 0.23 -1.17 -0.92 0.00 0.00 175.35 174.17 2jkj s LEU 81 N -1.79 2.91 0.22 3.17 2.96 -0.32 -4.94 118.68 120.89 2jkj s LEU 81 Ca 0.20 -2.63 -0.32 0.00 -0.22 0.00 0.00 54.13 51.16 2jkj s LEU 81 Cb -0.11 -1.12 -0.13 0.00 0.50 0.00 0.00 46.19 45.34 2jkj s LEU 81 CO 0.11 -0.27 1.60 -1.22 -1.32 0.00 0.00 176.35 175.25 2jkj n TYR 82 N 3.55 2.55 -4.24 5.38 4.02 -1.26 -0.97 117.16 126.19 2jkj n TYR 82 Ca 0.08 0.23 -0.13 0.00 -0.01 0.00 0.00 57.90 58.06 2jkj n TYR 82 Cb 0.34 -2.58 -0.10 0.00 -0.02 0.00 0.00 39.34 36.98 2jkj n TYR 82 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2jkj s VAL 83 N 0.57 0.45 -0.06 -0.72 -7.23 -1.04 -0.82 120.40 111.55 2jkj s VAL 83 Ca 0.72 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.95 2jkj s VAL 83 Cb -0.57 -2.28 -0.02 0.00 0.56 0.00 0.00 36.38 34.07 2jkj s VAL 83 CO 0.41 -0.30 -0.17 0.20 -0.31 0.00 0.00 175.10 174.93 2jkj s ASN 84 N -3.18 3.80 -0.23 4.85 0.01 0.16 -4.33 114.94 116.02 2jkj s ASN 84 Ca 0.29 -0.29 -0.07 0.00 -0.71 0.00 0.00 52.86 52.09 2jkj s ASN 84 Cb 0.07 -0.93 -0.03 0.00 0.41 0.00 0.00 41.25 40.77 2jkj s ASN 84 CO 0.07 0.30 0.05 -0.63 -1.51 0.00 0.00 177.10 175.38 2jkj s ILE 85 N -0.45 4.22 -0.16 0.60 1.01 -1.26 -1.62 121.20 123.54 2jkj s ILE 85 Ca 0.05 -0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.42 2jkj s ILE 85 Cb -0.12 -2.95 0.06 0.00 0.01 0.00 0.00 42.46 39.46 2jkj s ILE 85 CO 0.02 0.37 0.35 -0.60 0.00 0.00 0.00 174.94 175.08 2jkj s ARG 86 N 1.40 0.29 0.74 2.79 3.52 -0.86 -4.99 118.95 121.84 2jkj s ARG 86 Ca 0.05 0.79 -0.15 0.00 -0.13 0.00 0.00 55.73 56.29 2jkj s ARG 86 Cb -0.15 0.04 0.04 0.00 -1.56 0.00 0.00 34.95 33.32 2jkj s ARG 86 CO 0.03 -0.21 1.22 -1.25 -0.81 0.00 0.00 175.30 174.28 2jkj s PRO 87 N 1.85 2.09 0.35 5.12 0.04 -1.26 -1.20 135.00 141.99 2jkj s PRO 87 Ca -0.06 1.79 0.24 0.00 0.04 0.00 0.00 61.00 63.01 2jkj s PRO 87 Cb -0.10 -1.82 0.52 0.00 0.04 0.00 0.00 34.50 33.13 2jkj s PRO 87 CO -0.11 -1.88 1.67 1.79 0.04 0.00 0.00 177.00 178.51 2jkj h THR 88 N -0.32 0.00 -1.20 1.26 1.35 -1.54 -3.45 112.91 109.01 2jkj h THR 88 Ca -0.48 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 2jkj h THR 88 Cb 1.30 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 2jkj h THR 88 CO 0.49 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.86 2jkj n ASP 89 N -2.77 0.00 -2.17 5.36 3.85 -1.26 -5.00 116.55 114.56 2jkj n ASP 89 Ca 0.05 0.00 -0.29 0.00 -0.71 0.00 0.00 54.79 53.84 2jkj n ASP 89 Cb 0.49 0.00 0.04 0.00 -1.35 0.00 0.00 41.12 40.31 2jkj n ASP 89 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2jkj n ASN 90 N 0.00 6.10 -4.86 -1.12 3.02 -1.26 -5.02 115.26 112.13 2jkj n ASN 90 Ca 0.00 -3.77 -0.36 0.00 -0.03 0.00 0.00 54.58 50.42 2jkj n ASN 90 Cb 0.00 -0.61 -0.06 0.00 -0.61 0.00 0.00 39.78 38.50 2jkj n ASN 90 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2jkj s SER 91 N -2.84 6.68 -0.15 6.41 1.04 -1.26 -5.07 113.70 118.52 2jkj s SER 91 Ca 0.57 0.82 -0.19 0.00 0.48 0.00 0.00 55.95 57.63 2jkj s SER 91 Cb 0.45 -2.19 -0.04 0.00 0.10 0.00 0.00 66.02 64.34 2jkj s SER 91 CO 0.01 0.25 0.52 0.00 0.98 0.00 0.00 173.24 175.00 2jkj s ALA 92 N -1.25 3.49 0.14 5.32 0.00 -1.26 -4.86 121.76 123.34 2jkj s ALA 92 Ca 0.28 -0.24 0.06 0.00 0.00 0.00 0.00 51.96 52.07 2jkj s ALA 92 Cb -0.15 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 2jkj s ALA 92 CO 0.15 -0.19 -0.14 -1.58 0.00 0.00 0.00 175.76 174.00 2jkj s TRP 93 N 1.05 1.49 0.08 0.00 0.52 -1.26 -0.82 118.94 120.00 2jkj s TRP 93 Ca 0.26 -0.57 0.08 0.00 0.02 0.00 0.00 56.10 55.90 2jkj s TRP 93 Cb -0.15 -0.76 -0.03 0.00 -1.15 0.00 0.00 33.47 31.38 2jkj s TRP 93 CO 0.11 0.19 -0.20 0.99 0.02 0.00 0.00 176.95 178.06 2jkj s THR 94 N -2.36 1.64 -0.17 2.01 2.01 0.12 -4.88 115.64 114.01 2jkj s THR 94 Ca 0.13 -1.41 -0.06 0.00 0.31 0.00 0.00 61.69 60.66 2jkj s THR 94 Cb -0.04 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 2jkj s THR 94 CO 0.04 0.01 0.02 -0.89 -0.69 0.00 0.00 174.62 173.11 2jkj s THR 95 N -1.05 4.41 -0.27 -0.82 2.01 -1.26 -1.24 115.64 117.42 2jkj s THR 95 Ca 0.06 -0.17 -0.02 0.00 0.31 0.00 0.00 61.69 61.87 2jkj s THR 95 Cb -0.10 -2.97 0.12 0.00 0.01 0.00 0.00 72.50 69.57 2jkj s THR 95 CO 0.03 0.48 0.26 -0.62 -0.69 0.00 0.00 174.62 174.08 2jkj s ASP 96 N 0.36 1.78 -1.19 3.53 3.68 0.98 -4.96 116.67 120.86 2jkj s ASP 96 Ca 0.00 -0.67 -0.30 0.00 2.13 0.00 0.00 52.55 53.71 2jkj s ASP 96 Cb -0.13 0.40 0.03 0.00 -1.45 0.00 0.00 42.92 41.77 2jkj s ASP 96 CO 0.01 -0.38 0.71 -3.20 0.13 0.00 0.00 175.17 172.45 2jkj n ASN 97 N 5.31 -4.47 0.00 -0.34 5.15 -1.26 -1.21 115.26 118.45 2jkj n ASN 97 Ca -0.03 -1.20 0.00 0.00 -0.60 0.00 0.00 54.58 52.74 2jkj n ASN 97 Cb 0.47 -2.27 0.00 0.00 -0.53 0.00 0.00 39.78 37.45 2jkj n ASN 97 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jkj n GLY 98 N -1.96 0.82 3.41 8.20 0.00 -1.26 -5.00 105.19 109.40 2jkj n GLY 98 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 2jkj n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jkj s VAL 99 N -3.19 3.19 -0.45 1.61 1.01 -0.35 -1.44 120.40 120.79 2jkj s VAL 99 Ca 0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 2jkj s VAL 99 Cb 0.00 -2.34 0.12 0.00 0.00 0.00 0.00 36.38 34.16 2jkj s VAL 99 CO 0.00 0.53 0.22 0.12 0.00 0.00 0.00 175.10 175.97 2jkj s PHE 100 N 0.17 3.55 0.21 5.22 5.36 0.28 -0.01 117.98 132.75 2jkj s PHE 100 Ca -0.06 -2.71 0.08 0.00 -0.96 0.00 0.00 56.93 53.28 2jkj s PHE 100 Cb -0.15 -3.10 -0.04 0.00 -0.34 0.00 0.00 43.02 39.39 2jkj s PHE 100 CO 0.05 -0.92 0.00 1.52 -1.46 0.00 0.00 175.22 174.41 2jkj s TYR 101 N 0.68 2.80 0.21 10.12 1.13 -0.37 -1.31 117.35 130.61 2jkj s TYR 101 Ca 0.12 -0.17 -0.28 0.00 -1.41 0.00 0.00 57.07 55.32 2jkj s TYR 101 Cb -0.22 -1.31 -0.09 0.00 -1.10 0.00 0.00 41.96 39.24 2jkj s TYR 101 CO -0.04 0.55 0.89 0.21 -2.51 0.00 0.00 175.55 174.64 2jkj s LYS 102 N -3.22 4.76 0.32 -3.49 2.20 -0.02 0.15 119.74 120.44 2jkj s LYS 102 Ca 0.29 1.38 0.25 0.00 -0.36 0.00 0.00 55.97 57.52 2jkj s LYS 102 Cb -0.08 -3.28 1.14 0.00 -1.51 0.00 0.00 37.83 34.10 2jkj s LYS 102 CO 0.19 0.53 1.75 -0.91 -0.36 0.00 0.00 175.35 176.55 2jkj h ASN 103 N 4.23 0.00 -4.76 1.43 -0.26 -1.32 -3.43 115.58 111.47 2jkj h ASN 103 Ca -0.46 0.00 -0.23 0.00 -0.56 0.00 0.00 56.30 55.05 2jkj h ASN 103 Cb 1.20 0.00 -0.15 0.00 -1.06 0.00 0.00 38.32 38.31 2jkj h ASN 103 CO 0.67 0.00 -0.67 1.51 -1.06 0.00 0.00 177.43 177.88 2jkj s ASP 104 N -4.34 0.98 1.06 5.81 -4.77 -1.26 -5.09 116.67 109.05 2jkj s ASP 104 Ca 0.01 -1.10 -0.15 0.00 -3.30 0.00 0.00 52.55 48.02 2jkj s ASP 104 Cb 0.08 0.15 0.22 0.00 -1.09 0.00 0.00 42.92 42.28 2jkj s ASP 104 CO 0.34 -0.56 1.11 0.68 0.70 0.00 0.00 175.17 177.44 2jkj s VAL 105 N -3.73 1.88 0.00 2.11 -7.23 -1.26 -4.46 120.40 107.71 2jkj s VAL 105 Ca 0.18 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.35 2jkj s VAL 105 Cb 0.06 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.46 2jkj s VAL 105 CO -0.01 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 2jkj n GLY 106 N -1.26 3.38 3.54 2.32 0.00 -0.34 -4.92 105.19 107.91 2jkj n GLY 106 Ca 0.08 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 2jkj n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jkj s SER 107 N 0.00 6.84 0.36 1.61 0.01 -1.18 -4.46 113.70 116.89 2jkj s SER 107 Ca 0.00 -2.42 -0.26 0.00 1.31 0.00 0.00 55.95 54.58 2jkj s SER 107 Cb 0.00 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.61 2jkj s SER 107 CO 0.00 -1.11 1.10 0.86 0.41 0.00 0.00 173.24 174.50 2jkj s TRP 108 N 3.62 3.30 -0.05 2.43 -0.00 -1.26 -4.69 118.94 122.28 2jkj s TRP 108 Ca 0.49 1.63 0.02 0.00 -0.00 0.00 0.00 56.10 58.24 2jkj s TRP 108 Cb 0.01 -3.26 0.02 0.00 -0.00 0.00 0.00 33.47 30.24 2jkj s TRP 108 CO 0.03 -0.83 -0.08 0.20 -0.00 0.00 0.00 176.95 176.27 2jkj s GLY 109 N -1.22 0.56 0.00 5.86 0.00 -1.26 -1.50 107.32 109.76 2jkj s GLY 109 Ca 0.54 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 45.04 2jkj s GLY 109 CO 0.35 0.22 0.00 0.61 0.00 0.00 0.00 173.10 174.28 2jkj n GLY 110 N 3.80 -1.23 3.30 0.20 0.00 -0.01 -5.01 105.19 106.24 2jkj n GLY 110 Ca -0.23 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 2jkj n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkj s ILE 111 N -2.87 2.61 -0.28 -0.61 -1.09 -1.26 -0.54 121.20 117.16 2jkj s ILE 111 Ca 0.00 -0.82 -0.08 0.00 -2.23 0.00 0.00 60.65 57.52 2jkj s ILE 111 Cb 0.00 -2.06 -0.01 0.00 -1.58 0.00 0.00 42.46 38.81 2jkj s ILE 111 CO 0.00 0.54 0.10 -0.63 -1.23 0.00 0.00 174.94 173.72 2jkj s ILE 112 N 0.36 4.27 0.09 2.92 -1.09 0.08 -1.20 121.20 126.62 2jkj s ILE 112 Ca -0.14 -0.43 -0.18 0.00 -2.23 0.00 0.00 60.65 57.67 2jkj s ILE 112 Cb -0.17 -3.12 -0.07 0.00 -1.58 0.00 0.00 42.46 37.53 2jkj s ILE 112 CO 0.07 0.17 0.55 -0.83 -1.23 0.00 0.00 174.94 173.67 2jkj s GLY 113 N 1.57 2.60 -0.24 6.18 0.00 -0.34 -0.11 107.32 116.99 2jkj s GLY 113 Ca 0.05 -0.03 -0.06 0.00 0.00 0.00 0.00 44.72 44.68 2jkj s GLY 113 CO 0.04 0.35 0.02 -0.42 0.00 0.00 0.00 173.10 173.09 2jkj s ILE 114 N -1.20 3.84 0.17 0.90 -1.09 -0.55 -2.03 121.20 121.25 2jkj s ILE 114 Ca 0.31 -0.35 0.08 0.00 -2.23 0.00 0.00 60.65 58.46 2jkj s ILE 114 Cb -0.18 -2.78 -0.04 0.00 -1.58 0.00 0.00 42.46 37.87 2jkj s ILE 114 CO 0.18 0.37 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.78 2jkj s TYR 115 N 1.54 1.82 0.05 3.97 2.02 -0.64 0.53 117.35 126.64 2jkj s TYR 115 Ca 0.06 -0.48 -0.31 0.00 -0.37 0.00 0.00 57.07 55.97 2jkj s TYR 115 Cb -0.15 -0.89 -0.06 0.00 -0.40 0.00 0.00 41.96 40.46 2jkj s TYR 115 CO 0.00 0.35 1.36 0.08 -1.57 0.00 0.00 175.55 175.76 2jkj s VAL 116 N -2.19 3.62 -0.70 0.71 1.01 0.59 0.39 120.40 123.83 2jkj s VAL 116 Ca 0.17 1.11 -0.15 0.00 0.00 0.00 0.00 61.98 63.10 2jkj s VAL 116 Cb -0.05 -3.71 0.17 0.00 0.00 0.00 0.00 36.38 32.79 2jkj s VAL 116 CO 0.07 0.05 0.67 -0.62 0.00 0.00 0.00 175.10 175.27 2jkj s ASP 117 N 1.43 6.50 0.00 3.32 2.15 -0.00 0.00 116.67 130.07 2jkj s ASP 117 Ca 0.63 -2.23 0.00 0.00 0.43 0.00 0.00 52.55 51.38 2jkj s ASP 117 Cb -0.33 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 2jkj s ASP 117 CO 0.28 -0.74 0.00 0.61 -0.17 0.00 0.00 175.17 175.15 2jkj n GLY 118 N 4.62 -1.10 3.67 2.66 0.00 -1.26 -4.72 105.19 109.06 2jkj n GLY 118 Ca 0.02 -1.47 -0.46 0.00 0.00 0.00 0.00 46.02 44.10 2jkj n GLY 118 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2jkj n GLN 119 N -0.38 2.15 -2.74 1.61 7.27 -1.26 -4.32 117.38 119.72 2jkj n GLN 119 Ca 0.00 0.78 -0.04 0.00 0.07 0.00 0.00 57.00 57.81 2jkj n GLN 119 Cb 0.00 -2.56 0.06 0.00 2.41 0.00 0.00 30.24 30.16 2jkj n GLN 119 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2jkj n GLN 120 N 3.82 1.41 0.00 3.69 6.02 -0.68 -4.91 117.38 126.73 2jkj n GLN 120 Ca 0.18 -2.86 0.09 0.00 -0.01 0.00 0.00 57.00 54.39 2jkj n GLN 120 Cb 0.29 -0.98 0.50 0.00 1.02 0.00 0.00 30.24 31.07 2jkj n GLN 120 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2jkj n THR 121 N -0.57 0.12 1.13 5.09 -2.24 -1.23 -1.95 114.28 114.63 2jkj n THR 121 Ca 0.03 0.03 0.12 0.00 -2.27 0.00 0.00 64.05 61.96 2jkj n THR 121 Cb 0.83 -0.75 0.21 0.00 -2.10 0.00 0.00 70.33 68.51 2jkj n THR 121 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2jkj n ASN 122 N -1.07 2.51 -4.67 3.42 3.02 -1.26 -4.28 115.26 112.93 2jkj n ASN 122 Ca 0.12 -1.82 -0.51 0.00 -0.03 0.00 0.00 54.58 52.34 2jkj n ASN 122 Cb 0.08 0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.23 2jkj n ASN 122 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2jkj n THR 123 N 0.92 0.29 -1.88 3.41 -1.04 -0.82 -4.89 114.28 110.26 2jkj n THR 123 Ca 0.15 -0.05 -0.41 0.00 -2.04 0.00 0.00 64.05 61.70 2jkj n THR 123 Cb 0.52 -1.42 -0.01 0.00 -1.82 0.00 0.00 70.33 67.60 2jkj n THR 123 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2jkj s PRO 124 N 2.71 4.18 0.54 -2.82 0.02 -1.26 -4.78 135.00 133.59 2jkj s PRO 124 Ca 0.91 2.47 -0.21 0.00 0.02 0.00 0.00 61.00 64.18 2jkj s PRO 124 Cb -0.86 -3.03 -0.06 0.00 0.02 0.00 0.00 34.50 30.58 2jkj s PRO 124 CO 0.53 -0.49 1.24 -2.30 -0.33 0.00 0.00 177.00 175.65 2jkj n PRO 125 N 1.36 1.49 -3.57 5.54 -0.02 -1.26 -4.84 135.00 133.69 2jkj n PRO 125 Ca 0.04 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2jkj n PRO 125 Cb 0.39 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2jkj n PRO 125 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jkj n GLY 126 N 0.91 -1.43 3.46 -1.23 0.00 -0.03 -4.94 105.19 101.93 2jkj n GLY 126 Ca 0.11 -1.32 -0.37 0.00 0.00 0.00 0.00 46.02 44.44 2jkj n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jkj s ASN 127 N -3.15 5.30 -0.04 1.61 0.01 -1.26 -0.04 114.94 117.37 2jkj s ASN 127 Ca 0.00 -0.24 0.01 0.00 -0.71 0.00 0.00 52.86 51.92 2jkj s ASN 127 Cb 0.00 -1.96 -0.03 0.00 0.41 0.00 0.00 41.25 39.67 2jkj s ASN 127 CO 0.00 -0.06 -0.05 -0.31 -1.51 0.00 0.00 177.10 175.17 2jkj s TYR 128 N 1.63 2.98 0.04 2.20 2.02 0.20 -1.46 117.35 124.96 2jkj s TYR 128 Ca 0.06 0.04 0.03 0.00 -0.37 0.00 0.00 57.07 56.83 2jkj s TYR 128 Cb -0.16 -1.69 -0.02 0.00 -0.40 0.00 0.00 41.96 39.69 2jkj s TYR 128 CO 0.05 0.38 -0.09 0.99 -1.57 0.00 0.00 175.55 175.31 2jkj s THR 129 N -0.92 0.66 -0.13 -0.71 2.01 -0.55 -0.78 115.64 115.22 2jkj s THR 129 Ca 0.15 -1.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.10 2jkj s THR 129 Cb -0.11 -0.68 0.05 0.00 0.01 0.00 0.00 72.50 71.77 2jkj s THR 129 CO 0.05 -0.27 0.05 -0.22 -0.69 0.00 0.00 174.62 173.54 2jkj s LEU 130 N -1.41 0.56 -0.19 4.42 2.96 -0.58 -1.10 118.68 123.35 2jkj s LEU 130 Ca -0.07 -0.44 -0.08 0.00 -0.22 0.00 0.00 54.13 53.32 2jkj s LEU 130 Cb -0.09 -0.35 -0.04 0.00 0.50 0.00 0.00 46.19 46.21 2jkj s LEU 130 CO 0.01 -0.29 0.07 -0.89 -1.32 0.00 0.00 176.35 173.92 2jkj s THR 131 N 2.04 4.76 -0.08 3.68 2.01 -1.26 -1.13 115.64 125.66 2jkj s THR 131 Ca 0.02 -0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.01 2jkj s THR 131 Cb -0.15 -3.16 0.01 0.00 0.01 0.00 0.00 72.50 69.21 2jkj s THR 131 CO -0.07 0.44 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.37 2jkj s LEU 132 N 0.55 1.83 -0.09 4.42 1.43 -0.39 -1.67 118.68 124.75 2jkj s LEU 132 Ca 0.03 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 2jkj s LEU 132 Cb -0.13 -1.08 -0.03 0.00 0.03 0.00 0.00 46.19 44.98 2jkj s LEU 132 CO 0.01 0.09 -0.02 -0.89 0.23 0.00 0.00 176.35 175.76 2jkj s THR 133 N 0.54 4.10 0.43 5.49 2.01 0.80 -0.59 115.64 128.42 2jkj s THR 133 Ca -0.16 -0.32 -0.20 0.00 0.31 0.00 0.00 61.69 61.32 2jkj s THR 133 Cb -0.17 -2.72 -0.10 0.00 0.01 0.00 0.00 72.50 69.52 2jkj s THR 133 CO 0.06 0.59 0.93 -0.83 -0.69 0.00 0.00 174.62 174.68 2jkj s GLY 134 N -0.69 2.35 0.00 4.40 0.00 -0.59 -0.79 107.32 111.99 2jkj s GLY 134 Ca 0.11 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.17 2jkj s GLY 134 CO 0.02 0.61 0.00 0.61 0.00 0.00 0.00 173.10 174.34 2jkj n GLY 135 N -0.72 -0.55 3.14 0.20 0.00 -0.53 -1.32 105.19 105.43 2jkj n GLY 135 Ca 0.07 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 2jkj n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jkj s TYR 136 N -3.05 0.99 0.05 1.61 1.13 -0.68 -0.44 117.35 116.96 2jkj s TYR 136 Ca 0.00 -0.58 0.06 0.00 -1.41 0.00 0.00 57.07 55.14 2jkj s TYR 136 Cb 0.00 -0.55 -0.04 0.00 -1.10 0.00 0.00 41.96 40.27 2jkj s TYR 136 CO 0.00 -0.01 -0.12 -0.46 -2.51 0.00 0.00 175.55 172.44 2jkj s TRP 137 N -1.92 2.71 0.00 -3.49 -0.00 0.66 -0.96 118.94 115.93 2jkj s TRP 137 Ca -0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 56.10 55.93 2jkj s TRP 137 Cb -0.06 -1.49 0.00 0.00 -0.00 0.00 0.00 33.47 31.92 2jkj s TRP 137 CO 0.00 0.35 0.09 0.00 -0.00 0.00 0.00 176.95 177.40