#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 0.27 -0.08 1.61 1.04 0.34 -4.97 113.70 111.91 2jkj s SER 1 Ca 0.00 -0.58 -0.13 0.00 0.48 0.00 0.00 55.95 55.72 2jkj s SER 1 Cb 0.00 0.14 -0.05 0.00 0.10 0.00 0.00 66.02 66.21 2jkj s SER 1 CO 0.00 -0.39 0.32 0.12 0.98 0.00 0.00 173.24 174.27 2jkj s PHE 2 N -2.07 3.60 -0.22 5.02 2.19 -1.26 -1.46 117.98 123.77 2jkj s PHE 2 Ca -0.10 0.76 -0.01 0.00 0.33 0.00 0.00 56.93 57.91 2jkj s PHE 2 Cb -0.05 -2.25 0.01 0.00 -1.31 0.00 0.00 43.02 39.42 2jkj s PHE 2 CO -0.03 0.50 -0.10 0.99 1.83 0.00 0.00 175.22 178.41 2jkj s THR 3 N -0.46 2.75 -0.11 0.12 2.01 -0.10 -4.98 115.64 114.87 2jkj s THR 3 Ca 0.20 -0.85 -0.29 0.00 0.31 0.00 0.00 61.69 61.05 2jkj s THR 3 Cb -0.14 -2.28 -0.05 0.00 0.01 0.00 0.00 72.50 70.03 2jkj s THR 3 CO 0.08 0.37 1.72 -2.84 -0.69 0.00 0.00 174.62 173.27 2jkj s PRO 4 N 1.36 3.96 -0.50 4.92 0.02 -1.26 -1.64 135.00 141.85 2jkj s PRO 4 Ca 0.03 2.05 0.06 0.00 0.02 0.00 0.00 61.00 63.17 2jkj s PRO 4 Cb -0.15 -4.05 0.21 0.00 0.02 0.00 0.00 34.50 30.53 2jkj s PRO 4 CO -0.07 -1.11 0.80 0.45 -0.33 0.00 0.00 177.00 176.74 2jkj n SER 5 N 7.98 -3.21 0.00 2.53 2.88 -0.56 -4.95 113.62 118.29 2jkj n SER 5 Ca 0.19 -2.99 0.00 0.00 -1.33 0.00 0.00 58.87 54.74 2jkj n SER 5 Cb 0.44 1.75 0.00 0.00 -0.75 0.00 0.00 64.21 65.65 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 2.49 -2.01 3.96 0.46 0.00 -1.05 -3.57 105.19 105.46 2jkj n GLY 6 Ca 0.15 -1.21 -0.23 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.46 2.44 -0.13 2.61 -4.23 -1.26 -4.50 115.64 108.12 2jkj s THR 7 Ca 0.00 -0.48 -0.03 0.00 -1.18 0.00 0.00 61.69 60.00 2jkj s THR 7 Cb 0.00 -2.96 -0.03 0.00 1.34 0.00 0.00 72.50 70.85 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 4.20 -0.12 3.99 2.01 -1.26 -1.58 115.64 119.86 2jkj s THR 8 Ca 0.60 -0.27 -0.00 0.00 0.31 0.00 0.00 61.69 62.33 2jkj s THR 8 Cb -0.10 -2.81 -0.02 0.00 0.01 0.00 0.00 72.50 69.58 2jkj s THR 8 CO 0.42 0.54 -0.10 -0.83 -0.69 0.00 0.00 174.62 173.95 2jkj s GLY 9 N -0.17 1.60 -0.16 4.40 0.00 0.35 -4.97 107.32 108.36 2jkj s GLY 9 Ca 0.04 -0.89 -0.00 0.00 0.00 0.00 0.00 44.72 43.88 2jkj s GLY 9 CO 0.02 -0.31 -0.14 -1.59 0.00 0.00 0.00 173.10 171.08 2jkj s THR 10 N 0.04 2.76 -0.37 0.90 2.01 -1.26 -1.12 115.64 118.59 2jkj s THR 10 Ca -0.03 -0.73 -0.13 0.00 0.31 0.00 0.00 61.69 61.11 2jkj s THR 10 Cb -0.14 -2.18 0.01 0.00 0.01 0.00 0.00 72.50 70.21 2jkj s THR 10 CO 0.04 0.51 0.24 -0.89 -0.69 0.00 0.00 174.62 173.82 2jkj s THR 11 N 0.88 4.94 -0.07 -0.82 2.01 -0.28 -4.96 115.64 117.34 2jkj s THR 11 Ca -0.04 -0.64 -0.01 0.00 0.31 0.00 0.00 61.69 61.32 2jkj s THR 11 Cb -0.15 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 2jkj s THR 11 CO -0.01 -0.19 -0.01 -0.54 -0.69 0.00 0.00 174.62 173.18 2jkj s LYS 12 N 1.63 2.91 -0.13 4.92 1.02 -1.26 -1.38 119.74 127.45 2jkj s LYS 12 Ca 0.04 -0.47 -0.08 0.00 0.02 0.00 0.00 55.97 55.48 2jkj s LYS 12 Cb -0.19 -2.74 0.05 0.00 -0.52 0.00 0.00 37.83 34.43 2jkj s LYS 12 CO 0.08 0.68 0.33 -1.17 -0.92 0.00 0.00 175.35 174.35 2jkj s LEU 13 N -1.00 0.28 -0.25 3.17 2.96 0.05 -4.62 118.68 119.27 2jkj s LEU 13 Ca 0.14 0.70 -0.07 0.00 -0.22 0.00 0.00 54.13 54.68 2jkj s LEU 13 Cb -0.11 1.06 -0.03 0.00 0.50 0.00 0.00 46.19 47.60 2jkj s LEU 13 CO 0.04 -0.17 0.08 -0.89 -1.32 0.00 0.00 176.35 174.09 2jkj s THR 14 N 1.09 4.38 -0.13 3.68 2.01 -0.63 0.72 115.64 126.76 2jkj s THR 14 Ca -0.08 -0.15 -0.11 0.00 0.31 0.00 0.00 61.69 61.67 2jkj s THR 14 Cb -0.08 -3.05 -0.05 0.00 0.01 0.00 0.00 72.50 69.34 2jkj s THR 14 CO -0.08 0.34 0.23 -0.69 -0.69 0.00 0.00 174.62 173.72 2jkj s VAL 15 N 1.57 5.35 0.35 3.82 1.01 0.90 -1.10 120.40 132.30 2jkj s VAL 15 Ca 0.06 0.41 0.04 0.00 0.00 0.00 0.00 61.98 62.50 2jkj s VAL 15 Cb -0.15 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 2jkj s VAL 15 CO 0.04 0.50 0.18 0.42 0.00 0.00 0.00 175.10 176.24 2jkj s THR 16 N -0.27 0.35 0.00 3.92 -4.23 0.16 -0.82 115.64 114.75 2jkj s THR 16 Ca 0.15 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 2jkj s THR 16 Cb -0.13 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.26 2jkj s THR 16 CO 0.04 0.00 0.00 -0.62 -0.54 0.00 0.00 174.62 173.50 2jkj n GLU 17 N -0.72 1.27 -0.03 3.99 1.02 -1.26 -1.32 120.64 123.59 2jkj n GLU 17 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.02 2jkj n GLU 17 Cb 0.64 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.98 2jkj n GLU 17 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2jkj h LYS 18 N 0.00 0.14 -6.14 3.49 3.64 -1.98 -3.39 116.57 112.33 2jkj h LYS 18 Ca 0.00 -0.06 -0.53 0.00 -1.27 0.00 0.00 60.65 58.80 2jkj h LYS 18 Cb 0.00 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 2jkj h LYS 18 CO 0.00 0.48 1.29 0.00 -2.27 0.00 0.00 179.45 178.95 2jkj s GLN 20 N 6.38 3.58 -0.48 0.00 0.74 -1.26 -5.04 119.66 123.58 2jkj s GLN 20 Ca 0.68 -0.53 -0.04 0.00 0.05 0.00 0.00 55.36 55.51 2jkj s GLN 20 Cb -0.15 -3.32 0.13 0.00 1.10 0.00 0.00 33.01 30.76 2jkj s GLN 20 CO 0.25 -0.22 0.30 0.08 -0.55 0.00 0.00 175.29 175.15 2jkj s VAL 21 N 1.60 3.62 -0.37 1.34 1.01 -1.26 -5.06 120.40 121.27 2jkj s VAL 21 Ca 0.06 -2.23 -0.26 0.00 0.00 0.00 0.00 61.98 59.55 2jkj s VAL 21 Cb -0.15 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.82 2jkj s VAL 21 CO 0.03 -0.76 0.94 -0.13 0.00 0.00 0.00 175.10 175.19 2jkj s ARG 22 N 0.88 3.86 -0.15 2.72 0.52 -1.26 -5.03 118.95 120.48 2jkj s ARG 22 Ca 0.10 0.62 -0.05 0.00 -0.52 0.00 0.00 55.73 55.88 2jkj s ARG 22 Cb -0.23 -3.80 -0.03 0.00 0.52 0.00 0.00 34.95 31.41 2jkj s ARG 22 CO -0.03 -0.95 0.00 0.08 0.02 0.00 0.00 175.30 174.41 2jkj s VAL 23 N 3.51 4.27 0.00 3.52 1.01 -1.26 -5.01 120.40 126.45 2jkj s VAL 23 Ca 0.39 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.14 2jkj s VAL 23 Cb -0.12 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.38 2jkj s VAL 23 CO 0.19 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.40 2jkj n GLY 24 N 3.29 -0.92 3.73 4.51 0.00 -1.26 -4.90 105.19 109.64 2jkj n GLY 24 Ca -0.17 -1.20 -0.36 0.00 0.00 0.00 0.00 46.02 44.30 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 4.52 0.30 1.61 -0.00 -1.26 -4.93 116.67 112.91 2jkj s ASP 25 Ca 0.00 2.47 -0.30 0.00 -0.00 0.00 0.00 52.55 54.72 2jkj s ASP 25 Cb 0.00 -2.60 -0.11 0.00 -0.00 0.00 0.00 42.92 40.20 2jkj s ASP 25 CO 0.00 -2.05 1.59 -0.22 -0.00 0.00 0.00 175.17 174.48 2jkj s LEU 26 N -4.66 4.34 0.16 1.23 2.96 -1.26 -5.02 118.68 116.43 2jkj s LEU 26 Ca 0.78 2.96 -0.05 0.00 -0.22 0.00 0.00 54.13 57.60 2jkj s LEU 26 Cb -0.33 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 42.70 2jkj s LEU 26 CO 0.41 -0.91 0.19 0.42 -1.32 0.00 0.00 176.35 175.14 2jkj s THR 27 N -0.10 0.07 -0.32 3.68 -4.23 -1.26 -5.11 115.64 108.38 2jkj s THR 27 Ca 0.62 -1.65 -0.29 0.00 -1.18 0.00 0.00 61.69 59.20 2jkj s THR 27 Cb -0.48 -2.00 -0.02 0.00 1.34 0.00 0.00 72.50 71.35 2jkj s THR 27 CO 0.49 -0.33 1.71 -0.69 -0.54 0.00 0.00 174.62 175.27 2jkj s VAL 28 N -4.02 3.57 0.03 2.29 1.01 -1.26 -4.97 120.40 117.05 2jkj s VAL 28 Ca 0.22 0.60 0.03 0.00 0.00 0.00 0.00 61.98 62.83 2jkj s VAL 28 Cb 0.05 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 2jkj s VAL 28 CO 0.02 -0.43 -0.10 0.00 0.00 0.00 0.00 175.10 174.59 2jkj s ALA 29 N 6.33 0.79 0.07 5.51 0.00 -1.26 -1.61 121.76 131.60 2jkj s ALA 29 Ca 0.76 -0.66 -0.11 0.00 0.00 0.00 0.00 51.96 51.95 2jkj s ALA 29 Cb -0.22 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.82 2jkj s ALA 29 CO 0.33 0.11 0.25 0.15 0.00 0.00 0.00 175.76 176.60 2jkj s LYS 30 N -1.04 0.83 0.22 0.00 1.02 -0.26 -4.95 119.74 115.56 2jkj s LYS 30 Ca -0.02 -0.75 -0.11 0.00 0.02 0.00 0.00 55.97 55.11 2jkj s LYS 30 Cb -0.07 0.35 -0.07 0.00 -0.52 0.00 0.00 37.83 37.52 2jkj s LYS 30 CO 0.01 -0.27 0.56 0.95 -0.92 0.00 0.00 175.35 175.68 2jkj s THR 31 N -3.27 4.90 0.45 2.17 -4.23 -1.26 -0.66 115.64 113.74 2jkj s THR 31 Ca 0.00 0.56 0.22 0.00 -1.18 0.00 0.00 61.69 61.29 2jkj s THR 31 Cb 0.02 -3.63 0.41 0.00 1.34 0.00 0.00 72.50 70.63 2jkj s THR 31 CO -0.08 -0.03 1.87 0.08 -0.54 0.00 0.00 174.62 175.92 2jkj h ARG 32 N 2.68 0.27 0.00 3.99 0.11 -1.47 0.38 114.38 120.35 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 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 32.19 2jkj h ARG 32 CO 0.68 0.18 -0.00 0.78 0.10 0.00 0.00 179.97 181.71 2jkj h GLY 33 N 0.28 0.00 1.31 0.08 0.00 -1.85 -0.04 103.07 102.85 2jkj h GLY 33 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 2jkj h GLY 33 CO -0.13 0.00 -0.42 -1.06 0.00 0.00 0.00 176.54 174.93 2jkj n GLN 34 N -3.09 0.13 -0.95 4.80 6.02 0.13 -4.41 117.38 120.01 2jkj n GLN 34 Ca -0.02 0.05 -0.22 0.00 -0.01 0.00 0.00 57.00 56.79 2jkj n GLN 34 Cb 0.11 -1.60 -0.07 0.00 1.02 0.00 0.00 30.24 29.70 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 -1.80 5.91 -4.90 1.08 4.77 -0.03 -4.85 117.00 117.17 2jkj n LEU 35 Ca 0.05 -3.28 -0.28 0.00 -0.03 0.00 0.00 56.01 52.47 2jkj n LEU 35 Cb 0.38 -1.27 -0.00 0.00 -2.33 0.00 0.00 43.42 40.20 2jkj n LEU 35 CO 0.34 1.38 0.49 0.42 -1.33 0.00 0.00 177.39 178.68 2jkj s THR 36 N 2.15 4.88 0.15 -5.08 -4.23 -1.26 -0.93 115.64 111.32 2jkj s THR 36 Ca 0.56 0.32 -0.34 0.00 -1.18 0.00 0.00 61.69 61.05 2jkj s THR 36 Cb 0.19 -3.86 -0.14 0.00 1.34 0.00 0.00 72.50 70.03 2jkj s THR 36 CO -0.03 -0.89 1.58 -0.67 -0.54 0.00 0.00 174.62 174.08 2jkj n ASP 37 N -2.30 3.08 0.00 3.99 2.03 -1.26 -1.40 116.55 120.68 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 3.50 0.00 -1.78 -1.67 0.00 0.14 -4.94 120.51 115.76 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 -0.16 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 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 -3.31 3.90 0.22 0.00 0.00 -0.50 -4.50 121.76 117.57 2jkj s ALA 39 Ca 0.00 1.53 -0.30 0.00 0.00 0.00 0.00 51.96 53.19 2jkj s ALA 39 Cb 0.00 -3.68 -0.09 0.00 0.00 0.00 0.00 23.12 19.35 2jkj s ALA 39 CO 0.00 -0.90 1.27 -1.25 0.00 0.00 0.00 175.76 174.88 2jkj s PRO 40 N 1.22 4.43 -0.24 0.00 0.04 -1.26 -0.40 135.00 138.79 2jkj s PRO 40 Ca 0.74 2.01 -0.03 0.00 0.04 0.00 0.00 61.00 63.76 2jkj s PRO 40 Cb -0.48 -3.19 -0.14 0.00 0.04 0.00 0.00 34.50 30.73 2jkj s PRO 40 CO 0.32 -0.17 -0.24 -0.89 0.04 0.00 0.00 177.00 176.05 2jkj n ILE 41 N 2.29 1.36 0.00 0.56 5.41 0.19 -4.91 119.36 124.25 2jkj n ILE 41 Ca 0.04 -0.46 0.00 0.00 1.00 0.00 0.00 62.75 63.33 2jkj n ILE 41 Cb 0.43 -1.49 0.00 0.00 -0.71 0.00 0.00 39.64 37.87 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 2.08 1.86 3.92 7.39 0.00 -1.20 -5.01 105.19 114.23 2jkj n GLY 42 Ca -0.44 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.55 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 3.56 -0.25 1.61 0.04 -1.26 -1.38 135.00 135.31 2jkj s PRO 43 Ca 0.00 -0.20 -0.01 0.00 0.04 0.00 0.00 61.00 60.83 2jkj s PRO 43 Cb 0.00 -2.74 0.08 0.00 0.04 0.00 0.00 34.50 31.87 2jkj s PRO 43 CO 0.00 0.30 0.03 0.08 0.04 0.00 0.00 177.00 177.45 2jkj s VAL 44 N -2.01 1.00 0.33 -0.36 1.01 0.85 -4.95 120.40 116.27 2jkj s VAL 44 Ca 0.41 -1.11 -0.28 0.00 0.00 0.00 0.00 61.98 60.99 2jkj s VAL 44 Cb -0.11 -1.54 -0.10 0.00 0.00 0.00 0.00 36.38 34.64 2jkj s VAL 44 CO 0.30 -0.36 1.23 0.42 0.00 0.00 0.00 175.10 176.69 2jkj s THR 45 N 1.61 2.97 -0.05 3.92 -4.23 -1.26 -0.80 115.64 117.79 2jkj s THR 45 Ca 0.02 0.95 0.00 0.00 -1.18 0.00 0.00 61.69 61.48 2jkj s THR 45 Cb -0.18 -3.59 0.02 0.00 1.34 0.00 0.00 72.50 70.10 2jkj s THR 45 CO -0.14 0.20 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.42 2jkj s VAL 46 N -1.20 0.52 -0.19 2.29 1.01 0.21 -4.93 120.40 118.11 2jkj s VAL 46 Ca 0.49 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.37 2jkj s VAL 46 Cb -0.36 -0.57 0.06 0.00 0.00 0.00 0.00 36.38 35.51 2jkj s VAL 46 CO 0.47 0.24 0.05 -1.10 0.00 0.00 0.00 175.10 174.76 2jkj s GLN 47 N 1.17 0.55 0.06 2.72 -1.52 -1.26 -0.71 119.66 120.67 2jkj s GLN 47 Ca -0.07 -0.38 0.00 0.00 -1.95 0.00 0.00 55.36 52.96 2jkj s GLN 47 Cb -0.14 -2.05 -0.04 0.00 -0.22 0.00 0.00 33.01 30.56 2jkj s GLN 47 CO -0.01 -0.66 0.19 0.00 -0.25 0.00 0.00 175.29 174.56 2jkj s ALA 48 N 1.90 3.95 -0.04 6.09 0.00 -0.58 -5.02 121.76 128.07 2jkj s ALA 48 Ca -0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 51.96 51.06 2jkj s ALA 48 Cb -0.17 -1.78 0.02 0.00 0.00 0.00 0.00 23.12 21.19 2jkj s ALA 48 CO -0.09 0.82 0.10 -0.51 0.00 0.00 0.00 175.76 176.08 2jkj s LEU 49 N -2.50 1.40 -0.95 0.00 1.02 -1.26 -4.57 118.68 111.81 2jkj s LEU 49 Ca 0.34 0.21 0.00 0.00 0.02 0.00 0.00 54.13 54.70 2jkj s LEU 49 Cb -0.13 0.31 0.00 0.00 0.02 0.00 0.00 46.19 46.39 2jkj s LEU 49 CO 0.27 -0.06 0.00 0.61 0.02 0.00 0.00 176.35 177.19 2jkj n GLY 50 N 3.36 -0.06 1.35 -3.19 0.00 -1.26 -4.93 105.19 100.46 2jkj n GLY 50 Ca -0.16 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 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 1.37 0.00 -0.08 0.00 3.04 -1.92 -1.74 116.42 117.10 2jkj h ASP 52 Ca 0.24 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 54.01 2jkj h ASP 52 Cb 1.42 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.70 2jkj h ASP 52 CO 0.49 0.09 -0.11 0.00 -2.04 0.00 0.00 179.24 177.67 2jkj n ALA 53 N -2.39 2.87 -2.65 4.15 0.00 -1.26 -3.79 120.51 117.44 2jkj n ALA 53 Ca -0.02 -2.76 -0.14 0.00 0.00 0.00 0.00 53.44 50.51 2jkj n ALA 53 Cb 0.18 -0.47 -0.11 0.00 0.00 0.00 0.00 19.45 19.05 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 -2.98 0.69 -0.46 0.00 1.81 -0.97 -4.96 118.95 112.08 2jkj s ARG 54 Ca 0.36 -0.96 -0.21 0.00 -1.72 0.00 0.00 55.73 53.20 2jkj s ARG 54 Cb 0.32 -0.43 0.03 0.00 -0.45 0.00 0.00 34.95 34.43 2jkj s ARG 54 CO 0.02 0.07 0.66 -0.65 -0.68 0.00 0.00 175.30 174.71 2jkj s GLN 55 N -2.20 3.24 0.31 3.54 -0.21 -1.25 -2.12 119.66 120.97 2jkj s GLN 55 Ca -0.02 -0.49 -0.29 0.00 0.02 0.00 0.00 55.36 54.58 2jkj s GLN 55 Cb -0.06 -3.99 -0.13 0.00 1.00 0.00 0.00 33.01 29.83 2jkj s GLN 55 CO -0.00 -1.09 1.22 0.28 -2.12 0.00 0.00 175.29 173.58 2jkj n VAL 56 N 5.81 1.83 -3.81 1.09 0.31 -1.26 -0.24 118.33 122.07 2jkj n VAL 56 Ca -0.03 -0.46 -0.11 0.00 -0.01 0.00 0.00 64.34 63.74 2jkj n VAL 56 Cb 0.47 -1.37 -0.08 0.00 -0.91 0.00 0.00 33.84 31.95 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 -0.93 -0.49 -0.07 3.52 0.00 -0.02 -0.54 121.76 123.22 2jkj s ALA 57 Ca 0.58 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.39 2jkj s ALA 57 Cb -0.63 0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.82 2jkj s ALA 57 CO 0.60 -0.40 -0.14 -0.51 0.00 0.00 0.00 175.76 175.31 2jkj s LEU 58 N -2.13 1.69 -0.12 0.00 2.01 -0.30 -1.57 118.68 118.27 2jkj s LEU 58 Ca -0.04 -0.34 -0.00 0.00 0.01 0.00 0.00 54.13 53.76 2jkj s LEU 58 Cb -0.01 -0.91 -0.02 0.00 0.01 0.00 0.00 46.19 45.26 2jkj s LEU 58 CO -0.04 0.04 -0.11 -0.75 1.01 0.00 0.00 176.35 176.50 2jkj s LYS 59 N 0.67 3.27 0.32 1.70 2.20 -0.01 -0.69 119.74 127.20 2jkj s LYS 59 Ca -0.14 -0.65 -0.13 0.00 -0.36 0.00 0.00 55.97 54.69 2jkj s LYS 59 Cb -0.16 -2.64 -0.08 0.00 -1.51 0.00 0.00 37.83 33.44 2jkj s LYS 59 CO 0.04 0.31 0.71 0.00 -0.36 0.00 0.00 175.35 176.05 2jkj s ALA 60 N 0.11 3.37 0.57 3.13 0.00 -0.50 -0.17 121.76 128.27 2jkj s ALA 60 Ca -0.05 -0.05 -0.20 0.00 0.00 0.00 0.00 51.96 51.65 2jkj s ALA 60 Cb -0.15 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 2jkj s ALA 60 CO 0.04 0.30 1.31 -0.51 0.00 0.00 0.00 175.76 176.91 2jkj s ASP 61 N -2.45 5.12 0.40 0.00 1.11 -0.64 -4.84 116.67 115.38 2jkj s ASP 61 Ca 0.53 2.66 0.22 0.00 0.18 0.00 0.00 52.55 56.13 2jkj s ASP 61 Cb -0.10 -2.63 1.22 0.00 1.07 0.00 0.00 42.92 42.48 2jkj s ASP 61 CO 0.20 -1.66 1.69 0.74 1.18 0.00 0.00 175.17 177.32 2jkj h THR 62 N 1.16 0.31 0.00 -1.27 2.02 -1.93 0.60 112.91 113.80 2jkj h THR 62 Ca -0.51 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.58 2jkj h THR 62 Cb 1.31 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2jkj h THR 62 CO 0.56 0.05 0.00 0.47 0.37 0.00 0.00 175.52 176.97 2jkj n ASP 63 N -4.76 0.00 -0.47 4.18 8.00 -1.26 -3.60 116.55 118.64 2jkj n ASP 63 Ca 0.31 -1.40 0.05 0.00 0.71 0.00 0.00 54.79 54.47 2jkj n ASP 63 Cb 1.12 0.00 0.08 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 -0.80 2.25 -3.81 -2.24 3.02 0.21 -4.71 115.26 109.17 2jkj n ASN 64 Ca 0.14 -1.66 -0.10 0.00 -0.03 0.00 0.00 54.58 52.94 2jkj n ASN 64 Cb 0.07 -0.09 -0.06 0.00 -0.61 0.00 0.00 39.78 39.09 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 -0.90 0.09 0.00 3.10 -0.12 -1.24 -1.22 117.98 117.70 2jkj s PHE 65 Ca 0.15 -0.46 0.00 0.00 -0.05 0.00 0.00 56.93 56.58 2jkj s PHE 65 Cb 0.09 0.11 0.00 0.00 -0.63 0.00 0.00 43.02 42.60 2jkj s PHE 65 CO 0.13 -0.72 0.00 -1.91 -0.05 0.00 0.00 175.22 172.67 2jkj n GLU 66 N -0.21 0.00 -2.83 1.99 2.13 -0.71 -4.97 120.64 116.03 2jkj n GLU 66 Ca -0.12 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.59 2jkj n GLU 66 Cb 0.63 0.00 0.05 0.00 0.27 0.00 0.00 31.44 32.39 2jkj n GLU 66 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2jkj n GLN 67 N 0.00 -2.47 -0.67 5.31 1.13 -1.26 -3.29 117.38 116.13 2jkj n GLN 67 Ca 0.00 0.62 0.00 0.00 -1.94 0.00 0.00 57.00 55.68 2jkj n GLN 67 Cb 0.00 -4.69 0.00 0.00 0.11 0.00 0.00 30.24 25.66 2jkj n GLN 67 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jkj n GLY 68 N -1.25 0.17 3.53 1.08 0.00 -1.26 -4.96 105.19 102.50 2jkj n GLY 68 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.97 2.43 0.19 1.61 1.02 -1.21 -5.00 119.74 117.81 2jkj s LYS 69 Ca 0.00 -0.77 0.05 0.00 0.02 0.00 0.00 55.97 55.27 2jkj s LYS 69 Cb 0.00 -2.40 -0.04 0.00 -0.52 0.00 0.00 37.83 34.88 2jkj s LYS 69 CO 0.00 0.60 0.18 -0.06 -0.92 0.00 0.00 175.35 175.14 2jkj s PHE 70 N -0.90 3.19 -0.20 3.18 0.40 -1.26 -1.75 117.98 120.64 2jkj s PHE 70 Ca 0.15 -0.03 -0.30 0.00 -0.60 0.00 0.00 56.93 56.15 2jkj s PHE 70 Cb -0.11 -1.50 0.15 0.00 0.51 0.00 0.00 43.02 42.06 2jkj s PHE 70 CO 0.05 0.52 1.10 -0.59 0.70 0.00 0.00 175.22 177.00 2jkj s PHE 71 N -1.86 -0.27 0.51 0.36 -0.12 -0.35 -2.52 117.98 113.72 2jkj s PHE 71 Ca 0.32 0.48 -0.18 0.00 -0.05 0.00 0.00 56.93 57.50 2jkj s PHE 71 Cb -0.10 0.46 -0.08 0.00 -0.63 0.00 0.00 43.02 42.68 2jkj s PHE 71 CO 0.25 -0.25 1.01 -0.51 -0.05 0.00 0.00 175.22 175.66 2jkj s LEU 72 N -1.04 3.71 -0.04 -1.99 1.02 -0.31 -4.55 118.68 115.47 2jkj s LEU 72 Ca 0.01 1.72 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 -0.01 -0.71 -0.15 -0.51 0.02 0.00 0.00 176.35 174.98 2jkj s ILE 73 N -2.36 1.28 0.83 -0.59 1.10 -0.40 -1.29 121.20 119.78 2jkj s ILE 73 Ca 0.62 -0.63 -0.11 0.00 -0.51 0.00 0.00 60.65 60.02 2jkj s ILE 73 Cb -0.12 -1.11 0.10 0.00 0.15 0.00 0.00 42.46 41.48 2jkj s ILE 73 CO 0.26 0.37 1.14 -0.94 -2.11 0.00 0.00 174.94 173.67 2jkj s SER 74 N 0.09 3.67 0.55 4.50 1.04 -0.47 -1.32 113.70 121.75 2jkj s SER 74 Ca -0.04 2.11 0.27 0.00 0.48 0.00 0.00 55.95 58.77 2jkj s SER 74 Cb -0.11 -2.56 1.45 0.00 0.10 0.00 0.00 66.02 64.90 2jkj s SER 74 CO 0.02 -2.60 1.96 0.44 0.98 0.00 0.00 173.24 174.04 2jkj h ASP 75 N -1.31 0.00 -0.09 7.02 5.19 -1.61 0.13 116.42 125.75 2jkj h ASP 75 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 2jkj h ASP 75 Cb 1.26 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.77 2jkj h ASP 75 CO 0.46 0.00 0.00 -0.46 -3.12 0.00 0.00 179.24 176.12 2jkj n ASN 76 N -4.21 1.22 -0.91 6.45 2.04 -1.26 -4.91 115.26 113.69 2jkj n ASN 76 Ca 0.11 -1.55 -0.12 0.00 -0.44 0.00 0.00 54.58 52.58 2jkj n ASN 76 Cb 0.68 -0.05 -0.05 0.00 -2.53 0.00 0.00 39.78 37.82 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 0.00 -5.04 -0.12 0.53 4.05 0.46 -4.86 115.26 110.28 2jkj n ASN 77 Ca 0.17 0.29 -0.23 0.00 0.45 0.00 0.00 54.58 55.27 2jkj n ASN 77 Cb 0.28 -3.58 -0.10 0.00 1.23 0.00 0.00 39.78 37.60 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 -1.83 0.56 -3.57 1.20 0.63 -1.26 -4.93 116.66 107.47 2jkj n ARG 78 Ca -0.12 0.19 -0.37 0.00 -0.92 0.00 0.00 57.85 56.64 2jkj n ARG 78 Cb 0.49 -1.43 -0.07 0.00 0.45 0.00 0.00 32.46 31.90 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 -6.87 6.53 0.02 6.15 1.01 -1.26 -4.96 116.67 117.29 2jkj s ASP 79 Ca -0.34 0.62 0.02 0.00 0.71 0.00 0.00 52.55 53.57 2jkj s ASP 79 Cb 0.11 -2.19 -0.04 0.00 1.01 0.00 0.00 42.92 41.82 2jkj s ASP 79 CO 0.49 0.19 -0.00 -0.54 0.21 0.00 0.00 175.17 175.52 2jkj s LYS 80 N -0.10 2.71 -0.45 8.23 1.02 -1.26 -1.37 119.74 128.52 2jkj s LYS 80 Ca 0.18 -0.68 0.02 0.00 0.02 0.00 0.00 55.97 55.52 2jkj s LYS 80 Cb -0.14 -2.63 0.13 0.00 -0.52 0.00 0.00 37.83 34.68 2jkj s LYS 80 CO 0.06 0.60 0.24 -1.17 -0.92 0.00 0.00 175.35 174.17 2jkj s LEU 81 N -1.76 2.92 0.16 3.17 2.96 -0.41 -4.94 118.68 120.78 2jkj s LEU 81 Ca 0.21 -2.69 -0.33 0.00 -0.22 0.00 0.00 54.13 51.10 2jkj s LEU 81 Cb -0.12 -1.12 -0.13 0.00 0.50 0.00 0.00 46.19 45.33 2jkj s LEU 81 CO 0.12 -0.26 1.66 -1.22 -1.32 0.00 0.00 176.35 175.33 2jkj n TYR 82 N 3.47 2.46 -4.29 5.38 4.02 -1.26 -1.16 117.16 125.78 2jkj n TYR 82 Ca 0.08 0.15 -0.15 0.00 -0.01 0.00 0.00 57.90 57.97 2jkj n TYR 82 Cb 0.34 -2.61 -0.10 0.00 -0.02 0.00 0.00 39.34 36.95 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 1.28 0.72 -0.07 -0.72 -7.23 -1.05 -0.50 120.40 112.83 2jkj s VAL 83 Ca 0.78 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.99 2jkj s VAL 83 Cb -0.61 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 33.97 2jkj s VAL 83 CO 0.37 -0.29 -0.17 0.20 -0.31 0.00 0.00 175.10 174.90 2jkj s ASN 84 N -3.25 3.79 -0.24 4.85 0.01 0.19 -4.37 114.94 115.91 2jkj s ASN 84 Ca 0.29 -0.31 -0.07 0.00 -0.71 0.00 0.00 52.86 52.06 2jkj s ASN 84 Cb 0.07 -1.03 -0.03 0.00 0.41 0.00 0.00 41.25 40.66 2jkj s ASN 84 CO 0.08 0.27 0.07 -0.63 -1.51 0.00 0.00 177.10 175.39 2jkj s ILE 85 N -0.31 4.44 -0.15 0.60 1.01 -1.26 -1.63 121.20 123.89 2jkj s ILE 85 Ca 0.02 -0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.47 2jkj s ILE 85 Cb -0.13 -3.06 0.06 0.00 0.01 0.00 0.00 42.46 39.35 2jkj s ILE 85 CO 0.03 0.36 0.35 -0.60 0.00 0.00 0.00 174.94 175.07 2jkj s ARG 86 N 1.37 0.29 0.72 2.79 3.52 -0.84 -4.99 118.95 121.82 2jkj s ARG 86 Ca 0.05 0.77 -0.15 0.00 -0.13 0.00 0.00 55.73 56.27 2jkj s ARG 86 Cb -0.15 0.02 0.04 0.00 -1.56 0.00 0.00 34.95 33.30 2jkj s ARG 86 CO 0.04 -0.20 1.21 -1.25 -0.81 0.00 0.00 175.30 174.29 2jkj s PRO 87 N 1.80 2.17 0.45 5.12 0.04 -1.26 -0.95 135.00 142.37 2jkj s PRO 87 Ca -0.06 1.77 0.24 0.00 0.04 0.00 0.00 61.00 62.99 2jkj s PRO 87 Cb -0.10 -1.84 0.46 0.00 0.04 0.00 0.00 34.50 33.07 2jkj s PRO 87 CO -0.11 -1.81 1.65 1.79 0.04 0.00 0.00 177.00 178.56 2jkj h THR 88 N -0.24 0.05 -0.90 1.26 1.35 -1.51 -3.45 112.91 109.47 2jkj h THR 88 Ca -0.48 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.38 2jkj h THR 88 Cb 1.30 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.67 2jkj h THR 88 CO 0.50 0.03 0.00 -0.90 -0.25 0.00 0.00 175.52 174.90 2jkj n ASP 89 N -3.11 0.00 -1.08 5.36 3.85 -1.26 -4.99 116.55 115.32 2jkj n ASP 89 Ca 0.03 0.00 0.08 0.00 -0.71 0.00 0.00 54.79 54.19 2jkj n ASP 89 Cb 0.51 0.00 0.28 0.00 -1.35 0.00 0.00 41.12 40.56 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 4.12 -4.77 -1.12 3.02 -1.26 -5.02 115.26 110.23 2jkj n ASN 90 Ca 0.00 -2.81 -0.39 0.00 -0.03 0.00 0.00 54.58 51.35 2jkj n ASN 90 Cb 0.00 -0.52 -0.02 0.00 -0.61 0.00 0.00 39.78 38.63 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 -1.53 6.54 -0.15 6.41 1.04 -1.26 -5.00 113.70 119.75 2jkj s SER 91 Ca 0.42 2.52 -0.18 0.00 0.48 0.00 0.00 55.95 59.18 2jkj s SER 91 Cb 0.32 -2.63 -0.04 0.00 0.10 0.00 0.00 66.02 63.77 2jkj s SER 91 CO 0.12 -0.68 0.51 0.00 0.98 0.00 0.00 173.24 174.17 2jkj s ALA 92 N -1.29 3.50 0.19 5.32 0.00 -1.26 -4.87 121.76 123.35 2jkj s ALA 92 Ca 0.55 -0.27 0.07 0.00 0.00 0.00 0.00 51.96 52.30 2jkj s ALA 92 Cb -0.35 -2.74 -0.05 0.00 0.00 0.00 0.00 23.12 19.99 2jkj s ALA 92 CO 0.45 -0.21 -0.14 -1.58 0.00 0.00 0.00 175.76 174.29 2jkj s TRP 93 N 1.10 1.62 0.05 0.00 0.52 -1.26 -1.01 118.94 119.96 2jkj s TRP 93 Ca 0.26 -0.60 0.06 0.00 0.02 0.00 0.00 56.10 55.84 2jkj s TRP 93 Cb -0.15 -0.77 -0.03 0.00 -1.15 0.00 0.00 33.47 31.37 2jkj s TRP 93 CO 0.10 0.29 -0.17 0.99 0.02 0.00 0.00 176.95 178.19 2jkj s THR 94 N -2.92 1.35 -0.19 2.01 2.01 0.85 -4.87 115.64 113.88 2jkj s THR 94 Ca 0.20 -1.16 -0.06 0.00 0.31 0.00 0.00 61.69 60.98 2jkj s THR 94 Cb -0.01 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 2jkj s THR 94 CO 0.05 0.03 0.03 -0.89 -0.69 0.00 0.00 174.62 173.15 2jkj s THR 95 N -0.92 4.34 -0.26 -0.82 2.01 -1.26 -1.37 115.64 117.35 2jkj s THR 95 Ca 0.03 -0.19 -0.03 0.00 0.31 0.00 0.00 61.69 61.82 2jkj s THR 95 Cb -0.09 -2.96 0.11 0.00 0.01 0.00 0.00 72.50 69.58 2jkj s THR 95 CO 0.02 0.44 0.20 -0.62 -0.69 0.00 0.00 174.62 173.97 2jkj s ASP 96 N 0.70 2.33 -1.21 3.53 3.68 0.12 -4.95 116.67 120.88 2jkj s ASP 96 Ca 0.01 -0.82 -0.27 0.00 2.13 0.00 0.00 52.55 53.60 2jkj s ASP 96 Cb -0.14 0.11 0.02 0.00 -1.45 0.00 0.00 42.92 41.47 2jkj s ASP 96 CO 0.02 -0.39 0.68 -3.20 0.13 0.00 0.00 175.17 172.41 2jkj n ASN 97 N 5.29 -4.19 0.00 -0.34 5.15 -1.26 -1.30 115.26 118.61 2jkj n ASN 97 Ca -0.05 -1.19 0.00 0.00 -0.60 0.00 0.00 54.58 52.74 2jkj n ASN 97 Cb 0.46 -2.31 0.00 0.00 -0.53 0.00 0.00 39.78 37.40 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 -1.97 0.78 3.41 8.20 0.00 -1.26 -5.01 105.19 109.34 2jkj n GLY 98 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.95 3.00 -0.40 1.61 1.01 -0.42 -1.41 120.40 120.84 2jkj s VAL 99 Ca 0.00 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.30 2jkj s VAL 99 Cb 0.00 -2.22 0.11 0.00 0.00 0.00 0.00 36.38 34.27 2jkj s VAL 99 CO 0.00 0.55 0.14 0.12 0.00 0.00 0.00 175.10 175.91 2jkj s PHE 100 N -0.10 3.60 0.18 5.22 5.36 0.13 0.16 117.98 132.53 2jkj s PHE 100 Ca -0.02 -2.94 0.08 0.00 -0.96 0.00 0.00 56.93 53.09 2jkj s PHE 100 Cb -0.14 -2.97 -0.04 0.00 -0.34 0.00 0.00 43.02 39.53 2jkj s PHE 100 CO 0.04 -0.90 -0.03 1.52 -1.46 0.00 0.00 175.22 174.38 2jkj s TYR 101 N 0.64 2.76 0.21 10.12 1.13 -0.47 -1.15 117.35 130.59 2jkj s TYR 101 Ca 0.12 -0.17 -0.30 0.00 -1.41 0.00 0.00 57.07 55.31 2jkj s TYR 101 Cb -0.21 -1.33 -0.08 0.00 -1.10 0.00 0.00 41.96 39.23 2jkj s TYR 101 CO -0.06 0.52 0.95 0.21 -2.51 0.00 0.00 175.55 174.67 2jkj s LYS 102 N -2.95 4.81 0.59 -3.49 2.20 0.29 -0.11 119.74 121.09 2jkj s LYS 102 Ca 0.27 1.50 0.38 0.00 -0.36 0.00 0.00 55.97 57.75 2jkj s LYS 102 Cb -0.09 -3.30 1.77 0.00 -1.51 0.00 0.00 37.83 34.70 2jkj s LYS 102 CO 0.17 0.43 2.13 -0.91 -0.36 0.00 0.00 175.35 176.82 2jkj h ASN 103 N 4.48 0.00 -3.74 1.43 -0.26 -1.41 -3.43 115.58 112.65 2jkj h ASN 103 Ca -0.45 0.00 -0.50 0.00 -0.56 0.00 0.00 56.30 54.80 2jkj h ASN 103 Cb 1.20 0.00 -0.18 0.00 -1.06 0.00 0.00 38.32 38.28 2jkj h ASN 103 CO 0.69 0.01 -0.78 -0.62 -1.06 0.00 0.00 177.43 175.67 2jkj s ASP 104 N -5.51 2.49 0.85 5.81 2.15 -1.26 -5.08 116.67 116.11 2jkj s ASP 104 Ca -0.01 -0.83 -0.12 0.00 0.43 0.00 0.00 52.55 52.02 2jkj s ASP 104 Cb 0.11 -0.13 0.10 0.00 -0.30 0.00 0.00 42.92 42.70 2jkj s ASP 104 CO 0.50 -0.06 1.11 0.68 -0.17 0.00 0.00 175.17 177.23 2jkj s VAL 105 N -1.99 2.62 0.00 1.11 -7.23 -1.26 -4.48 120.40 109.17 2jkj s VAL 105 Ca 0.13 0.20 0.00 0.00 -1.81 0.00 0.00 61.98 60.50 2jkj s VAL 105 Cb -0.06 -2.92 0.00 0.00 0.56 0.00 0.00 36.38 33.96 2jkj s VAL 105 CO 0.05 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.19 2jkj n GLY 106 N -2.02 4.44 3.55 2.32 0.00 -0.69 -4.94 105.19 107.85 2jkj n GLY 106 Ca 0.07 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 2jkj n GLY 106 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jkj n SER 107 N 0.00 3.59 -4.76 1.61 7.64 -1.17 -4.51 113.62 116.01 2jkj n SER 107 Ca 0.00 -2.76 -0.40 0.00 1.01 0.00 0.00 58.87 56.72 2jkj n SER 107 Cb 0.00 -1.72 -0.04 0.00 -1.01 0.00 0.00 64.21 61.44 2jkj n SER 107 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 2jkj s TRP 108 N 8.82 3.39 -0.06 1.43 -0.00 -1.26 -4.68 118.94 126.58 2jkj s TRP 108 Ca 0.64 1.62 0.02 0.00 -0.00 0.00 0.00 56.10 58.38 2jkj s TRP 108 Cb 0.01 -3.36 0.02 0.00 -0.00 0.00 0.00 33.47 30.14 2jkj s TRP 108 CO 0.12 -0.90 -0.10 0.20 -0.00 0.00 0.00 176.95 176.27 2jkj s GLY 109 N -0.88 0.69 -0.01 5.86 0.00 -1.26 -1.52 107.32 110.20 2jkj s GLY 109 Ca 0.48 -0.31 -0.06 0.00 0.00 0.00 0.00 44.72 44.83 2jkj s GLY 109 CO 0.42 0.22 0.25 0.61 0.00 0.00 0.00 173.10 174.60 2jkj n GLY 110 N 3.90 0.38 3.35 0.20 0.00 0.11 -5.01 105.19 108.12 2jkj n GLY 110 Ca -0.23 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.03 2.85 -0.30 -0.61 -1.09 -1.26 -0.62 121.20 118.15 2jkj s ILE 111 Ca 0.06 -0.74 -0.08 0.00 -2.23 0.00 0.00 60.65 57.66 2jkj s ILE 111 Cb -0.00 -2.17 0.00 0.00 -1.58 0.00 0.00 42.46 38.71 2jkj s ILE 111 CO -0.00 0.54 0.10 -0.63 -1.23 0.00 0.00 174.94 173.71 2jkj s ILE 112 N 0.28 4.18 0.12 2.92 -1.09 0.02 -1.13 121.20 126.49 2jkj s ILE 112 Ca -0.11 -0.57 -0.19 0.00 -2.23 0.00 0.00 60.65 57.55 2jkj s ILE 112 Cb -0.16 -3.13 -0.07 0.00 -1.58 0.00 0.00 42.46 37.52 2jkj s ILE 112 CO 0.06 0.10 0.61 -0.83 -1.23 0.00 0.00 174.94 173.65 2jkj s GLY 113 N 1.54 2.66 -0.23 6.18 0.00 -0.12 -0.10 107.32 117.25 2jkj s GLY 113 Ca 0.04 0.07 -0.05 0.00 0.00 0.00 0.00 44.72 44.77 2jkj s GLY 113 CO 0.04 0.47 0.00 -0.42 0.00 0.00 0.00 173.10 173.19 2jkj s ILE 114 N -1.23 3.77 0.15 0.90 -1.09 -0.48 -1.98 121.20 121.24 2jkj s ILE 114 Ca 0.33 -0.36 0.08 0.00 -2.23 0.00 0.00 60.65 58.47 2jkj s ILE 114 Cb -0.19 -2.73 -0.04 0.00 -1.58 0.00 0.00 42.46 37.92 2jkj s ILE 114 CO 0.20 0.39 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.82 2jkj s TYR 115 N 1.50 1.69 0.04 3.97 2.02 -0.65 0.52 117.35 126.45 2jkj s TYR 115 Ca 0.06 -0.50 -0.31 0.00 -0.37 0.00 0.00 57.07 55.95 2jkj s TYR 115 Cb -0.15 -0.85 -0.06 0.00 -0.40 0.00 0.00 41.96 40.50 2jkj s TYR 115 CO -0.00 0.27 1.38 0.08 -1.57 0.00 0.00 175.55 175.71 2jkj s VAL 116 N -2.08 3.62 -0.73 0.71 1.01 0.46 0.53 120.40 123.92 2jkj s VAL 116 Ca 0.14 1.08 -0.16 0.00 0.00 0.00 0.00 61.98 63.03 2jkj s VAL 116 Cb -0.05 -3.69 0.17 0.00 0.00 0.00 0.00 36.38 32.80 2jkj s VAL 116 CO 0.05 0.03 0.73 -0.62 0.00 0.00 0.00 175.10 175.29 2jkj s ASP 117 N 1.58 6.51 0.00 3.32 2.15 0.34 0.26 116.67 130.82 2jkj s ASP 117 Ca 0.64 -2.18 0.00 0.00 0.43 0.00 0.00 52.55 51.43 2jkj s ASP 117 Cb -0.33 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 2jkj s ASP 117 CO 0.28 -0.79 0.00 0.61 -0.17 0.00 0.00 175.17 175.10 2jkj n GLY 118 N 4.68 -1.27 3.68 2.66 0.00 -1.26 -4.73 105.19 108.95 2jkj n GLY 118 Ca 0.04 -1.32 -0.46 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.04 2.32 -2.66 1.61 7.27 -1.26 -4.38 117.38 120.23 2jkj n GLN 119 Ca 0.00 0.84 -0.11 0.00 0.07 0.00 0.00 57.00 57.80 2jkj n GLN 119 Cb 0.00 -2.66 0.02 0.00 2.41 0.00 0.00 30.24 30.02 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 4.57 1.39 0.00 3.69 6.02 -0.11 -4.89 117.38 128.05 2jkj n GLN 120 Ca 0.18 -3.40 0.08 0.00 -0.01 0.00 0.00 57.00 53.86 2jkj n GLN 120 Cb 0.31 -1.37 0.48 0.00 1.02 0.00 0.00 30.24 30.68 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 -0.09 0.15 1.14 5.09 -2.24 -1.23 -1.99 114.28 115.11 2jkj n THR 121 Ca 0.13 0.04 0.12 0.00 -2.27 0.00 0.00 64.05 62.07 2jkj n THR 121 Cb 0.80 -0.77 0.21 0.00 -2.10 0.00 0.00 70.33 68.47 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 -1.08 2.32 -4.68 3.42 3.02 -1.26 -4.28 115.26 112.70 2jkj n ASN 122 Ca 0.11 -1.71 -0.53 0.00 -0.03 0.00 0.00 54.58 52.42 2jkj n ASN 122 Cb 0.08 0.09 -0.06 0.00 -0.61 0.00 0.00 39.78 39.28 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 0.68 0.33 -1.80 3.41 -1.04 -0.84 -4.88 114.28 110.14 2jkj n THR 123 Ca 0.14 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.68 2jkj n THR 123 Cb 0.50 -1.39 -0.00 0.00 -1.82 0.00 0.00 70.33 67.61 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 3.14 4.11 0.59 -2.82 0.02 -1.26 -4.78 135.00 134.01 2jkj s PRO 124 Ca 0.94 2.57 -0.19 0.00 0.02 0.00 0.00 61.00 64.33 2jkj s PRO 124 Cb -0.91 -2.98 -0.04 0.00 0.02 0.00 0.00 34.50 30.59 2jkj s PRO 124 CO 0.57 -0.55 1.19 -2.30 -0.33 0.00 0.00 177.00 175.58 2jkj n PRO 125 N 0.76 1.21 -3.29 5.54 -0.02 -1.26 -4.85 135.00 133.10 2jkj n PRO 125 Ca 0.02 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2jkj n PRO 125 Cb 0.39 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 1.02 -1.64 3.48 -1.23 0.00 -0.00 -4.94 105.19 101.88 2jkj n GLY 126 Ca 0.13 -1.40 -0.38 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.91 5.60 -0.07 1.61 0.01 -1.26 -0.07 114.94 118.85 2jkj s ASN 127 Ca 0.00 -0.31 -0.01 0.00 -0.71 0.00 0.00 52.86 51.83 2jkj s ASN 127 Cb 0.00 -2.02 -0.03 0.00 0.41 0.00 0.00 41.25 39.61 2jkj s ASN 127 CO 0.00 -0.12 -0.02 -0.31 -1.51 0.00 0.00 177.10 175.14 2jkj s TYR 128 N 1.66 3.08 0.03 2.20 2.02 0.22 -1.43 117.35 125.14 2jkj s TYR 128 Ca 0.06 0.13 0.03 0.00 -0.37 0.00 0.00 57.07 56.92 2jkj s TYR 128 Cb -0.16 -1.75 -0.02 0.00 -0.40 0.00 0.00 41.96 39.63 2jkj s TYR 128 CO 0.07 0.43 -0.09 0.99 -1.57 0.00 0.00 175.55 175.38 2jkj s THR 129 N -0.89 0.67 -0.14 -0.71 2.01 -0.44 -0.77 115.64 115.37 2jkj s THR 129 Ca 0.14 -0.85 -0.02 0.00 0.31 0.00 0.00 61.69 61.27 2jkj s THR 129 Cb -0.11 -0.66 0.05 0.00 0.01 0.00 0.00 72.50 71.78 2jkj s THR 129 CO 0.03 -0.15 0.02 -0.22 -0.69 0.00 0.00 174.62 173.61 2jkj s LEU 130 N -1.10 0.91 -0.20 4.42 2.96 -0.48 -1.27 118.68 123.93 2jkj s LEU 130 Ca -0.04 -0.52 -0.08 0.00 -0.22 0.00 0.00 54.13 53.27 2jkj s LEU 130 Cb -0.07 -0.53 -0.04 0.00 0.50 0.00 0.00 46.19 46.05 2jkj s LEU 130 CO 0.01 -0.26 0.08 -0.89 -1.32 0.00 0.00 176.35 173.97 2jkj s THR 131 N 1.91 4.87 -0.08 3.68 2.01 -1.26 -1.12 115.64 125.64 2jkj s THR 131 Ca 0.02 -0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.05 2jkj s THR 131 Cb -0.15 -3.22 0.01 0.00 0.01 0.00 0.00 72.50 69.15 2jkj s THR 131 CO -0.07 0.43 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.34 2jkj s LEU 132 N 0.62 1.89 -0.11 4.42 1.43 -0.28 -1.62 118.68 125.04 2jkj s LEU 132 Ca 0.04 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.69 2jkj s LEU 132 Cb -0.13 -1.14 -0.03 0.00 0.03 0.00 0.00 46.19 44.92 2jkj s LEU 132 CO 0.01 0.11 -0.04 -0.89 0.23 0.00 0.00 176.35 175.77 2jkj s THR 133 N 0.47 3.89 0.46 5.49 2.01 0.76 -0.50 115.64 128.22 2jkj s THR 133 Ca -0.16 -0.38 -0.21 0.00 0.31 0.00 0.00 61.69 61.25 2jkj s THR 133 Cb -0.17 -2.65 -0.10 0.00 0.01 0.00 0.00 72.50 69.59 2jkj s THR 133 CO 0.06 0.55 1.00 -0.83 -0.69 0.00 0.00 174.62 174.71 2jkj s GLY 134 N -0.30 2.46 0.00 4.40 0.00 -0.61 -0.83 107.32 112.43 2jkj s GLY 134 Ca 0.05 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.28 2jkj s GLY 134 CO 0.02 0.81 0.00 0.61 0.00 0.00 0.00 173.10 174.54 2jkj n GLY 135 N -0.43 -0.58 3.11 0.20 0.00 -0.61 -1.50 105.19 105.38 2jkj n GLY 135 Ca 0.08 -0.68 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.22 0.62 -0.22 1.61 1.13 -0.65 -0.84 117.35 115.78 2jkj s TYR 136 Ca 0.00 -1.06 -0.08 0.00 -1.41 0.00 0.00 57.07 54.53 2jkj s TYR 136 Cb 0.00 -0.42 -0.04 0.00 -1.10 0.00 0.00 41.96 40.40 2jkj s TYR 136 CO 0.00 -0.35 0.08 -0.46 -2.51 0.00 0.00 175.55 172.30 2jkj s TRP 137 N -3.88 3.18 0.00 -3.49 -0.11 0.66 -0.92 118.94 114.38 2jkj s TRP 137 Ca 0.10 -0.11 0.00 0.00 1.22 0.00 0.00 56.10 57.30 2jkj s TRP 137 Cb 0.07 -2.17 0.00 0.00 -1.50 0.00 0.00 33.47 29.88 2jkj s TRP 137 CO -0.08 -0.08 0.33 0.00 -4.62 0.00 0.00 176.95 172.50