#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnk n ASP 2 N 0.00 -0.39 -0.19 6.12 -0.08 -1.26 -4.98 116.55 115.77 2jnk n ASP 2 Ca 0.00 -1.10 0.10 0.00 -1.51 0.00 0.00 54.79 52.28 2jnk n ASP 2 Cb 0.00 0.17 -0.07 0.00 2.34 0.00 0.00 41.12 43.55 2jnk n ASP 2 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2jnk n LYS 3 N -0.30 0.74 -0.13 -0.67 2.85 -1.26 -4.33 118.16 115.05 2jnk n LYS 3 Ca -0.06 -0.39 0.02 0.00 -1.05 0.00 0.00 58.31 56.83 2jnk n LYS 3 Cb 0.53 -1.44 0.32 0.00 -0.65 0.00 0.00 35.03 33.79 2jnk n LYS 3 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 2jnk h THR 4 N 0.93 1.15 -1.24 0.58 2.02 -1.94 -1.70 112.91 112.72 2jnk h THR 4 Ca 0.00 -0.28 0.36 0.00 0.77 0.00 0.00 66.41 67.26 2jnk h THR 4 Cb 0.57 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 2jnk h THR 4 CO 0.00 0.15 0.93 -1.13 0.37 0.00 0.00 175.52 175.84 2jnk h ASN 5 N 0.82 0.00 0.00 4.18 -0.00 -1.97 0.87 115.58 119.47 2jnk h ASN 5 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.53 2jnk h ASN 5 Cb -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.25 2jnk h ASN 5 CO -0.05 0.00 -0.02 -0.07 -0.00 0.00 0.00 177.43 177.29 2jnk h LEU 6 N 0.00 0.00 -1.84 0.34 4.07 -1.62 -1.84 115.31 114.42 2jnk h LEU 6 Ca 0.59 0.00 0.12 0.00 0.08 0.00 0.00 57.88 58.67 2jnk h LEU 6 Cb 2.45 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 44.17 2jnk h LEU 6 CO -0.01 0.48 0.53 1.23 -1.08 0.00 0.00 178.44 179.59 2jnk h GLY 7 N -0.93 0.00 1.55 0.83 0.00 -1.16 1.80 103.07 105.16 2jnk h GLY 7 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 2jnk h GLY 7 CO 0.00 0.00 -0.94 -2.09 0.00 0.00 0.00 176.54 173.51 2jnk h GLU 8 N 0.00 0.00 0.00 4.80 4.81 0.64 -2.81 114.58 122.02 2jnk h GLU 8 Ca 0.20 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.27 2jnk h GLU 8 Cb 1.27 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.62 2jnk h GLU 8 CO -0.00 0.43 -2.14 1.28 -0.73 0.00 0.00 179.01 177.85 2jnk n LEU 9 N -3.08 0.00 -0.01 1.64 4.77 0.31 -4.54 117.00 116.09 2jnk n LEU 9 Ca -0.03 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.74 2jnk n LEU 9 Cb 0.79 0.22 -0.13 0.00 -2.33 0.00 0.00 43.42 41.96 2jnk n LEU 9 CO 0.42 0.22 -0.34 0.16 -1.33 0.00 0.00 177.39 176.51 2jnk h ILE 10 N 0.00 1.10 -0.98 -0.08 3.07 0.21 -2.72 117.51 118.11 2jnk h ILE 10 Ca -0.24 -2.37 0.34 0.00 1.55 0.00 0.00 64.86 64.14 2jnk h ILE 10 Cb 1.53 2.73 -0.17 0.00 -0.27 0.00 0.00 36.82 40.64 2jnk h ILE 10 CO 0.01 0.64 0.37 0.78 -1.05 0.00 0.00 178.15 178.91 2jnk h ASN 11 N -0.46 0.10 0.69 2.16 2.35 -1.66 1.16 115.58 119.93 2jnk h ASN 11 Ca -0.28 0.25 -0.26 0.00 -0.55 0.00 0.00 56.30 55.46 2jnk h ASN 11 Cb 1.63 0.30 -0.03 0.00 0.05 0.00 0.00 38.32 40.28 2jnk h ASN 11 CO 0.02 -0.33 -1.35 0.06 -1.65 0.00 0.00 177.43 174.18 2jnk h GLN 12 N 0.08 0.09 0.40 0.81 3.07 -1.80 -3.24 115.11 114.52 2jnk h GLN 12 Ca 0.73 -0.15 -0.02 0.00 0.09 0.00 0.00 58.65 59.30 2jnk h GLN 12 Cb 1.74 0.05 0.00 0.00 0.08 0.00 0.00 27.48 29.36 2jnk h GLN 12 CO -0.77 0.91 -0.22 0.78 0.09 0.00 0.00 178.83 179.63 2jnk h GLY 13 N 2.67 -0.70 1.43 0.06 0.00 0.16 1.76 103.07 108.46 2jnk h GLY 13 Ca -0.16 0.28 0.08 0.00 0.00 0.00 0.00 47.33 47.53 2jnk h GLY 13 CO 0.13 -0.25 0.20 0.07 0.00 0.00 0.00 176.54 176.70 2jnk h LYS 14 N -0.57 0.00 0.00 4.80 -0.00 -1.28 0.43 116.57 119.94 2jnk h LYS 14 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.60 2jnk h LYS 14 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.68 2jnk h LYS 14 CO 0.07 0.00 -0.36 0.77 -0.00 0.00 0.00 179.45 179.93 2jnk h SER 15 N 0.00 0.00 0.06 7.07 0.02 -1.53 -2.91 113.55 116.26 2jnk h SER 15 Ca 0.13 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2jnk h SER 15 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2jnk h SER 15 CO -0.00 0.01 -0.03 0.25 -1.14 0.00 0.00 176.83 175.93 2jnk h LEU 16 N 0.00 -0.06 -1.40 5.07 5.85 0.71 -1.60 115.31 123.88 2jnk h LEU 16 Ca 0.00 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.69 2jnk h LEU 16 Cb 0.93 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 2jnk h LEU 16 CO 0.00 0.48 0.48 -0.07 -0.34 0.00 0.00 178.44 178.99 2jnk h LEU 17 N -1.01 0.63 -0.13 2.25 3.38 -1.29 0.72 115.31 119.86 2jnk h LEU 17 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jnk h LEU 17 Cb 0.17 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2jnk h LEU 17 CO 0.01 0.39 -0.01 -0.67 0.09 0.00 0.00 178.44 178.25 2jnk n ASP 18 N -4.49 0.21 -0.09 -0.43 2.03 -1.10 -3.40 116.55 109.28 2jnk n ASP 18 Ca 0.12 -0.89 -0.13 0.00 0.52 0.00 0.00 54.79 54.40 2jnk n ASP 18 Cb 0.28 -0.05 -0.08 0.00 -0.72 0.00 0.00 41.12 40.55 2jnk n ASP 18 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jnk n GLU 19 N -0.91 0.45 -1.33 -0.67 1.02 0.13 -4.99 120.64 114.34 2jnk n GLU 19 Ca 0.21 0.11 -0.30 0.00 -0.02 0.00 0.00 57.16 57.16 2jnk n GLU 19 Cb 0.17 -1.36 0.23 0.00 -0.02 0.00 0.00 31.44 30.46 2jnk n GLU 19 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2jnk s SER 20 N -5.79 1.52 -0.23 1.62 1.04 0.21 -5.06 113.70 107.01 2jnk s SER 20 Ca -0.24 0.51 -0.15 0.00 0.48 0.00 0.00 55.95 56.54 2jnk s SER 20 Cb 0.06 -0.68 0.07 0.00 0.10 0.00 0.00 66.02 65.58 2jnk s SER 20 CO 0.42 -3.74 0.58 0.54 0.98 0.00 0.00 173.24 172.02 2jnk s VAL 21 N -3.27 -0.01 -0.48 5.02 0.11 -1.26 -4.91 120.40 115.60 2jnk s VAL 21 Ca 0.72 0.03 -0.29 0.00 -2.93 0.00 0.00 61.98 59.51 2jnk s VAL 21 Cb -0.08 -0.84 0.02 0.00 -1.53 0.00 0.00 36.38 33.96 2jnk s VAL 21 CO 0.55 0.01 1.23 -1.83 -3.33 0.00 0.00 175.10 171.73 2jnk s GLU 22 N 1.30 3.64 0.00 1.54 -1.05 -1.25 -0.70 118.70 122.18 2jnk s GLU 22 Ca -0.08 0.62 0.00 0.00 -0.15 0.00 0.00 54.97 55.36 2jnk s GLU 22 Cb -0.06 -3.96 0.00 0.00 -0.44 0.00 0.00 34.13 29.67 2jnk s GLU 22 CO -0.13 -1.49 0.00 0.41 0.95 0.00 0.00 175.26 174.99 2jnk n GLY 23 N 4.96 0.71 0.00 -3.83 0.00 1.40 -4.79 105.19 103.64 2jnk n GLY 23 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2jnk n GLY 23 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2jnk n PHE 24 N 0.00 0.00 -3.69 1.61 1.16 -1.24 -4.60 117.46 110.70 2jnk n PHE 24 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 57.45 55.60 2jnk n PHE 24 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 2jnk n PHE 24 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 2jnk s ASN 25 N 0.00 -0.04 -0.19 5.98 2.47 -1.09 -3.83 114.94 118.24 2jnk s ASN 25 Ca 0.00 -0.14 -0.38 0.00 0.42 0.00 0.00 52.86 52.77 2jnk s ASN 25 Cb 0.00 0.14 -0.14 0.00 -1.45 0.00 0.00 41.25 39.80 2jnk s ASN 25 CO 0.00 -0.26 1.79 0.55 -3.72 0.00 0.00 177.10 175.46 2jnk n VAL 26 N -0.59 0.40 0.00 -5.21 3.14 -1.26 -0.24 118.33 114.58 2jnk n VAL 26 Ca -0.06 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 2jnk n VAL 26 Cb 0.62 -1.47 0.00 0.00 -1.06 0.00 0.00 33.84 31.93 2jnk n VAL 26 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2jnk n GLY 27 N 4.24 2.85 2.83 7.55 0.00 -0.64 -5.01 105.19 117.00 2jnk n GLY 27 Ca 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 2jnk n GLY 27 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jnk s GLU 28 N -0.57 -0.01 0.69 1.61 1.03 0.67 -4.18 118.70 117.95 2jnk s GLU 28 Ca 0.00 0.13 -0.00 0.00 0.03 0.00 0.00 54.97 55.13 2jnk s GLU 28 Cb 0.00 -0.14 0.11 0.00 -0.80 0.00 0.00 34.13 33.31 2jnk s GLU 28 CO 0.00 -0.10 0.96 1.52 -1.33 0.00 0.00 175.26 176.31 2jnk s TYR 29 N 0.63 1.74 -0.00 4.83 1.13 0.12 -2.66 117.35 123.14 2jnk s TYR 29 Ca -0.05 -0.26 -0.00 0.00 -1.41 0.00 0.00 57.07 55.35 2jnk s TYR 29 Cb -0.07 -2.93 -0.00 0.00 -1.10 0.00 0.00 41.96 37.86 2jnk s TYR 29 CO -0.02 -1.58 -0.00 1.25 -2.51 0.00 0.00 175.55 172.69 2jnk h HIS 30 N -0.42 0.00 -1.54 -3.49 -0.00 -1.81 4.27 115.15 112.15 2jnk h HIS 30 Ca -0.37 0.00 0.12 0.00 -0.00 0.00 0.00 60.37 60.13 2jnk h HIS 30 Cb 1.27 0.00 -0.23 0.00 -0.00 0.00 0.00 27.41 28.46 2jnk h HIS 30 CO -0.09 0.00 0.63 0.21 -0.00 0.00 0.00 177.93 178.68 2jnk s LYS 31 N -1.03 0.51 0.00 5.26 2.47 -1.26 -4.41 119.74 121.28 2jnk s LYS 31 Ca -0.00 0.06 0.00 0.00 -1.56 0.00 0.00 55.97 54.47 2jnk s LYS 31 Cb 0.00 0.24 0.00 0.00 -1.46 0.00 0.00 37.83 36.61 2jnk s LYS 31 CO 0.00 -0.17 0.00 0.41 0.16 0.00 0.00 175.35 175.75 2jnk n GLY 32 N 0.54 3.12 0.09 5.54 0.00 -1.26 -4.93 105.19 108.29 2jnk n GLY 32 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 2jnk n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jnk h ALA 33 N 0.00 -0.11 -1.43 4.61 0.00 -1.97 -2.94 119.26 117.43 2jnk h ALA 33 Ca 0.00 -0.23 0.41 0.00 0.00 0.00 0.00 54.91 55.09 2jnk h ALA 33 Cb 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 2jnk h ALA 33 CO 0.00 -0.31 1.20 0.87 0.00 0.00 0.00 179.25 181.01 2jnk h LYS 34 N -0.60 0.00 0.00 0.00 1.79 -1.92 -2.95 116.57 112.88 2jnk h LYS 34 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2jnk h LYS 34 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 2jnk h LYS 34 CO 0.02 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 178.14 2jnk n ASP 35 N -3.71 0.00 0.00 0.86 8.00 -1.19 -4.10 116.55 116.41 2jnk n ASP 35 Ca 0.32 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.99 2jnk n ASP 35 Cb 1.64 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 42.28 2jnk n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jnk n GLY 36 N 1.75 -1.83 0.33 0.44 0.00 -1.12 0.36 105.19 105.12 2jnk n GLY 36 Ca 0.00 0.38 0.11 0.00 0.00 0.00 0.00 46.02 46.51 2jnk n GLY 36 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jnk h LEU 37 N 0.00 0.00 0.05 0.99 5.85 -1.71 0.19 115.31 120.67 2jnk h LEU 37 Ca 0.00 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.35 2jnk h LEU 37 Cb 0.00 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 2jnk h LEU 37 CO 0.00 0.00 -2.26 1.07 -0.34 0.00 0.00 178.44 176.91 2jnk n THR 38 N -2.78 1.59 -0.31 1.05 5.66 0.64 -3.83 114.28 116.31 2jnk n THR 38 Ca -0.01 -0.64 0.17 0.00 -3.05 0.00 0.00 64.05 60.52 2jnk n THR 38 Cb 0.56 -1.44 0.42 0.00 -1.55 0.00 0.00 70.33 68.32 2jnk n THR 38 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2jnk h VAL 39 N 0.03 0.67 -0.50 1.08 2.07 0.94 2.10 116.25 122.64 2jnk h VAL 39 Ca -0.51 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 2jnk h VAL 39 Cb 1.98 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2jnk h VAL 39 CO -0.01 0.11 0.03 1.05 0.02 0.00 0.00 177.57 178.77 2jnk h GLU 40 N 0.58 0.81 0.40 1.57 4.11 -1.51 -0.96 114.58 119.59 2jnk h GLU 40 Ca 0.54 -0.21 -0.02 0.00 0.07 0.00 0.00 59.36 59.74 2jnk h GLU 40 Cb 1.09 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2jnk h GLU 40 CO -0.29 0.80 -0.19 0.82 0.07 0.00 0.00 179.01 180.22 2jnk h ILE 41 N 0.77 0.39 -1.17 -1.06 2.04 0.28 3.13 117.51 121.89 2jnk h ILE 41 Ca 0.15 -0.62 0.33 0.00 1.00 0.00 0.00 64.86 65.72 2jnk h ILE 41 Cb 0.42 0.60 -0.09 0.00 -0.74 0.00 0.00 36.82 37.01 2jnk h ILE 41 CO 0.01 0.08 0.78 0.78 0.00 0.00 0.00 178.15 179.80 2jnk h ASN 42 N -0.99 0.27 0.65 1.72 2.35 0.11 1.26 115.58 120.95 2jnk h ASN 42 Ca -0.05 0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 2jnk h ASN 42 Cb 0.54 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 2jnk h ASN 42 CO 0.09 0.00 -1.40 1.17 -1.65 0.00 0.00 177.43 175.64 2jnk n LYS 43 N -4.50 0.63 -0.07 0.81 4.81 -0.37 -3.99 118.16 115.47 2jnk n LYS 43 Ca 0.28 0.07 -0.07 0.00 -0.87 0.00 0.00 58.31 57.72 2jnk n LYS 43 Cb 1.13 -1.74 -0.04 0.00 0.02 0.00 0.00 35.03 34.40 2jnk n LYS 43 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jnk h ALA 44 N 1.81 0.05 -0.98 3.14 0.00 1.34 -3.34 119.26 121.28 2jnk h ALA 44 Ca -0.07 -0.50 0.24 0.00 0.00 0.00 0.00 54.91 54.59 2jnk h ALA 44 Cb 1.20 0.37 -0.13 0.00 0.00 0.00 0.00 17.79 19.24 2jnk h ALA 44 CO 0.01 0.37 0.55 0.93 0.00 0.00 0.00 179.25 181.11 2jnk h GLU 45 N -1.00 0.51 -0.06 0.00 4.39 0.90 1.68 114.58 121.00 2jnk h GLU 45 Ca -0.06 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.63 2jnk h GLU 45 Cb 0.56 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2jnk h GLU 45 CO -0.04 0.34 0.08 1.05 -1.16 0.00 0.00 179.01 179.28 2jnk h GLU 46 N 0.52 0.00 0.03 2.33 4.11 -1.69 -1.60 114.58 118.28 2jnk h GLU 46 Ca 0.63 0.00 -0.39 0.00 0.07 0.00 0.00 59.36 59.68 2jnk h GLU 46 Cb 1.22 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 2jnk h GLU 46 CO -0.50 0.00 -2.25 0.28 0.07 0.00 0.00 179.01 176.61 2jnk n VAL 47 N -3.70 1.57 -0.24 -1.06 0.31 0.51 -3.50 118.33 112.23 2jnk n VAL 47 Ca -0.01 -0.48 0.04 0.00 -0.01 0.00 0.00 64.34 63.88 2jnk n VAL 47 Cb 0.18 -1.67 0.16 0.00 -0.91 0.00 0.00 33.84 31.60 2jnk n VAL 47 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2jnk h PHE 48 N -0.34 0.20 -0.48 3.52 3.57 0.71 0.45 116.94 124.57 2jnk h PHE 48 Ca -0.55 0.04 0.00 0.00 3.53 0.00 0.00 57.97 60.99 2jnk h PHE 48 Cb 1.79 0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.56 2jnk h PHE 48 CO 0.02 -0.11 0.00 0.09 -2.23 0.00 0.00 178.31 176.08 2jnk n ASN 49 N -5.19 2.64 -4.94 0.41 3.02 -0.64 -4.94 115.26 105.62 2jnk n ASN 49 Ca 0.13 -1.98 -0.24 0.00 -0.03 0.00 0.00 54.58 52.45 2jnk n ASN 49 Cb 0.43 -0.32 0.03 0.00 -0.61 0.00 0.00 39.78 39.32 2jnk n ASN 49 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2jnk s LYS 50 N -1.37 2.77 -0.13 3.52 2.20 0.16 -5.02 119.74 121.87 2jnk s LYS 50 Ca 0.34 -0.34 0.16 0.00 -0.36 0.00 0.00 55.97 55.77 2jnk s LYS 50 Cb 0.18 -2.38 -0.24 0.00 -1.51 0.00 0.00 37.83 33.87 2jnk s LYS 50 CO 0.23 -0.67 0.31 -1.91 -0.36 0.00 0.00 175.35 172.96 2jnk n GLU 51 N -2.44 0.67 -0.14 4.03 0.00 -1.26 -3.90 120.64 117.59 2jnk n GLU 51 Ca 0.05 0.09 0.02 0.00 0.00 0.00 0.00 57.16 57.31 2jnk n GLU 51 Cb 0.58 -1.62 0.07 0.00 0.00 0.00 0.00 31.44 30.48 2jnk n GLU 51 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2jnk n ASP 52 N -2.83 1.54 -2.37 4.31 9.92 -1.26 -4.29 116.55 121.58 2jnk n ASP 52 Ca -0.25 -2.12 -0.16 0.00 -0.53 0.00 0.00 54.79 51.73 2jnk n ASP 52 Cb 1.08 -0.39 -0.11 0.00 -0.64 0.00 0.00 41.12 41.06 2jnk n ASP 52 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jnk n ALA 53 N 0.06 5.80 -1.74 2.24 0.00 -1.25 -3.30 120.51 122.33 2jnk n ALA 53 Ca 0.05 -1.90 0.00 0.00 0.00 0.00 0.00 53.44 51.59 2jnk n ALA 53 Cb 0.33 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.24 2jnk n ALA 53 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jnk n THR 54 N 2.88 0.00 0.17 0.00 -2.24 -1.26 -4.42 114.28 109.41 2jnk n THR 54 Ca 0.44 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.34 2jnk n THR 54 Cb 0.63 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.94 2jnk n THR 54 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2jnk h GLU 55 N 0.00 0.00 0.00 -0.78 4.81 -1.98 -3.30 114.58 113.34 2jnk h GLU 55 Ca 0.00 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.86 2jnk h GLU 55 Cb 0.00 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 2jnk h GLU 55 CO 0.00 0.00 -2.05 -0.85 -0.73 0.00 0.00 179.01 175.38 2jnk n GLU 56 N -2.80 0.58 -0.01 1.92 0.28 -1.26 -4.49 120.64 114.85 2jnk n GLU 56 Ca 0.02 0.36 -0.15 0.00 -0.16 0.00 0.00 57.16 57.22 2jnk n GLU 56 Cb 0.54 -1.57 -0.04 0.00 1.43 0.00 0.00 31.44 31.79 2jnk n GLU 56 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2jnk h GLU 57 N -1.00 0.71 0.25 3.44 4.57 -1.76 -3.16 114.58 117.64 2jnk h GLU 57 Ca -0.55 -0.57 -0.01 0.00 -1.18 0.00 0.00 59.36 57.05 2jnk h GLU 57 Cb 1.47 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 30.17 2jnk h GLU 57 CO -0.34 1.19 -0.22 0.82 -1.18 0.00 0.00 179.01 179.28 2jnk h ILE 58 N 0.49 0.00 -1.01 2.32 2.04 -1.76 0.16 117.51 119.76 2jnk h ILE 58 Ca -0.04 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.07 2jnk h ILE 58 Cb 1.37 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.32 2jnk h ILE 58 CO 0.15 0.00 0.60 -0.55 0.00 0.00 0.00 178.15 178.35 2jnk h ASN 59 N -0.47 0.65 0.18 1.72 -1.07 -1.79 1.89 115.58 116.70 2jnk h ASN 59 Ca -0.03 0.14 -0.05 0.00 0.07 0.00 0.00 56.30 56.42 2jnk h ASN 59 Cb 0.39 0.04 -0.01 0.00 -2.07 0.00 0.00 38.32 36.68 2jnk h ASN 59 CO -0.01 0.07 -0.22 -0.07 0.07 0.00 0.00 177.43 177.28 2jnk h LEU 60 N 0.54 0.08 0.00 6.14 3.38 -1.40 0.42 115.31 124.47 2jnk h LEU 60 Ca 0.65 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.61 2jnk h LEU 60 Cb 1.30 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2jnk h LEU 60 CO -0.48 0.30 -1.50 0.00 0.09 0.00 0.00 178.44 176.85 2jnk n ALA 61 N -2.49 2.69 0.03 1.53 0.00 0.40 -4.22 120.51 118.46 2jnk n ALA 61 Ca -0.02 -0.38 0.02 0.00 0.00 0.00 0.00 53.44 53.06 2jnk n ALA 61 Cb 0.30 -0.93 -0.08 0.00 0.00 0.00 0.00 19.45 18.74 2jnk n ALA 61 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2jnk n LYS 62 N -2.45 0.63 -0.33 0.00 -0.00 0.54 -3.79 118.16 112.76 2jnk n LYS 62 Ca -0.02 0.15 -0.09 0.00 -0.00 0.00 0.00 58.31 58.35 2jnk n LYS 62 Cb 0.56 -1.76 -0.06 0.00 -0.00 0.00 0.00 35.03 33.76 2jnk n LYS 62 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2jnk h GLU 63 N 0.00 -0.10 0.00 -1.58 4.81 -0.33 -1.46 114.58 115.92 2jnk h GLU 63 Ca -0.15 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2jnk h GLU 63 Cb 1.49 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.90 2jnk h GLU 63 CO 0.03 -0.06 -0.97 -1.13 -0.73 0.00 0.00 179.01 176.15 2jnk n SER 64 N -5.33 0.67 0.13 1.04 3.41 -1.26 -3.91 113.62 108.37 2jnk n SER 64 Ca 0.03 -0.44 -0.00 0.00 -0.26 0.00 0.00 58.87 58.20 2jnk n SER 64 Cb 0.31 0.82 0.27 0.00 -0.26 0.00 0.00 64.21 65.35 2jnk n SER 64 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2jnk h LEU 65 N 0.00 0.13 0.00 1.04 5.85 -1.43 1.72 115.31 122.61 2jnk h LEU 65 Ca 0.00 -0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.56 2jnk h LEU 65 Cb 0.63 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 2jnk h LEU 65 CO 0.00 0.53 -1.00 1.05 -0.34 0.00 0.00 178.44 178.68 2jnk h GLU 66 N 0.10 0.00 -0.01 1.25 4.11 -1.46 -3.28 114.58 115.30 2jnk h GLU 66 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2jnk h GLU 66 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2jnk h GLU 66 CO 0.06 0.29 -0.50 0.41 0.07 0.00 0.00 179.01 179.33 2jnk n GLY 67 N 1.29 -0.22 0.12 1.06 0.00 -1.04 -4.05 105.19 102.35 2jnk n GLY 67 Ca -0.04 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 2jnk n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jnk h ALA 68 N 2.60 0.23 -0.81 4.61 0.00 0.25 -3.04 119.26 123.10 2jnk h ALA 68 Ca 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 54.91 53.74 2jnk h ALA 68 Cb 0.48 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2jnk h ALA 68 CO 0.00 0.79 0.35 -0.84 0.00 0.00 0.00 179.25 179.54 2jnk h ILE 69 N -0.55 1.26 0.00 0.00 3.07 -1.74 0.19 117.51 119.75 2jnk h ILE 69 Ca -0.31 -0.79 -0.00 0.00 1.55 0.00 0.00 64.86 65.31 2jnk h ILE 69 Cb 1.58 0.27 -0.00 0.00 -0.27 0.00 0.00 36.82 38.40 2jnk h ILE 69 CO -0.04 0.33 -0.00 0.00 -1.05 0.00 0.00 178.15 177.39 2jnk h ALA 70 N 1.18 1.82 0.07 0.16 0.00 -1.70 -0.18 119.26 120.61 2jnk h ALA 70 Ca 0.27 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2jnk h ALA 70 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jnk h ALA 70 CO -0.03 0.00 -0.03 -0.09 0.00 0.00 0.00 179.25 179.10 2jnk h ARG 71 N 0.00 -0.09 -0.71 0.00 1.12 -0.91 -3.34 114.38 110.44 2jnk h ARG 71 Ca -0.00 0.01 0.13 0.00 -1.11 0.00 0.00 59.98 59.01 2jnk h ARG 71 Cb 0.00 0.02 -0.09 0.00 -0.01 0.00 0.00 29.97 29.89 2jnk h ARG 71 CO 0.00 0.14 0.25 0.35 -3.11 0.00 0.00 179.97 177.59 2jnk h PHE 72 N -1.01 0.42 -1.28 2.20 3.04 -0.85 0.10 116.94 119.55 2jnk h PHE 72 Ca -0.01 0.04 0.38 0.00 3.98 0.00 0.00 57.97 62.35 2jnk h PHE 72 Cb 0.27 -0.08 -0.08 0.00 2.56 0.00 0.00 35.95 38.62 2jnk h PHE 72 CO 0.05 0.03 0.88 -0.91 -2.02 0.00 0.00 178.31 176.34 2jnk h ASN 73 N 0.39 0.18 -0.79 0.41 2.35 -1.16 0.80 115.58 117.75 2jnk h ASN 73 Ca 0.38 0.06 -0.51 0.00 -0.55 0.00 0.00 56.30 55.68 2jnk h ASN 73 Cb 0.58 0.03 -0.28 0.00 0.05 0.00 0.00 38.32 38.70 2jnk h ASN 73 CO -0.40 -0.02 0.23 -1.20 -1.65 0.00 0.00 177.43 174.38 2jnk n SER 74 N -4.40 5.22 -0.04 5.81 7.64 0.02 -4.44 113.62 123.43 2jnk n SER 74 Ca 0.31 -3.75 -0.04 0.00 1.01 0.00 0.00 58.87 56.40 2jnk n SER 74 Cb 1.29 -0.73 -0.08 0.00 -1.01 0.00 0.00 64.21 63.69 2jnk n SER 74 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jnk n LEU 75 N -0.96 0.00 -2.13 -3.43 4.77 0.28 -3.99 117.00 111.54 2jnk n LEU 75 Ca 0.51 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.39 2jnk n LEU 75 Cb 0.98 0.21 -0.13 0.00 -2.33 0.00 0.00 43.42 42.15 2jnk n LEU 75 CO 0.54 0.21 1.44 0.00 -1.33 0.00 0.00 177.39 178.25 2jnk n LEU 76 N -2.30 4.26 -3.56 2.23 -0.00 -1.25 -4.05 117.00 112.33 2jnk n LEU 76 Ca -0.14 -2.67 -0.26 0.00 -0.00 0.00 0.00 56.01 52.94 2jnk n LEU 76 Cb 0.76 -1.14 0.05 0.00 -0.00 0.00 0.00 43.42 43.08 2jnk n LEU 76 CO 0.20 1.26 -0.03 -0.38 -0.00 0.00 0.00 177.39 178.44 2jnk n ILE 77 N 2.64 -6.72 0.00 1.47 2.08 -1.09 -1.62 119.36 116.11 2jnk n ILE 77 Ca 0.35 -0.97 0.00 0.00 0.56 0.00 0.00 62.75 62.69 2jnk n ILE 77 Cb 0.72 -4.90 0.00 0.00 -0.75 0.00 0.00 39.64 34.71 2jnk n ILE 77 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2jnk n GLU 78 N -3.79 0.00 -0.05 0.38 -0.58 -1.13 -4.19 120.64 111.29 2jnk n GLU 78 Ca -0.09 0.00 0.16 0.00 -0.42 0.00 0.00 57.16 56.81 2jnk n GLU 78 Cb 0.59 0.00 0.25 0.00 -0.57 0.00 0.00 31.44 31.72 2jnk n GLU 78 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2jnk n GLU 79 N 0.00 0.02 -2.40 3.49 1.02 -1.26 0.37 120.64 121.87 2jnk n GLU 79 Ca 0.00 0.83 0.01 0.00 -0.02 0.00 0.00 57.16 57.98 2jnk n GLU 79 Cb 0.00 -2.11 0.04 0.00 -0.02 0.00 0.00 31.44 29.35 2jnk n GLU 79 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2jnk n SER 80 N -2.68 1.29 -0.09 1.62 2.88 -1.26 -4.86 113.62 110.51 2jnk n SER 80 Ca 0.14 -2.02 0.15 0.00 -1.33 0.00 0.00 58.87 55.81 2jnk n SER 80 Cb 1.14 -0.39 0.73 0.00 -0.75 0.00 0.00 64.21 64.94 2jnk n SER 80 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2jnk n THR 81 N -0.27 0.00 0.05 2.46 5.66 0.16 -3.83 114.28 118.50 2jnk n THR 81 Ca 0.06 -0.05 0.22 0.00 -3.05 0.00 0.00 64.05 61.22 2jnk n THR 81 Cb 0.91 -0.24 0.73 0.00 -1.55 0.00 0.00 70.33 70.18 2jnk n THR 81 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2jnk h GLY 82 N 4.97 0.00 -7.81 1.09 0.00 -1.89 -3.27 103.07 96.16 2jnk h GLY 82 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 2jnk h GLY 82 CO 0.00 0.00 2.06 0.99 0.00 0.00 0.00 176.54 179.59 2jnk s ASP 83 N -5.26 6.86 -0.01 0.19 1.11 -1.25 -4.61 116.67 113.69 2jnk s ASP 83 Ca -0.04 -2.49 -0.24 0.00 0.18 0.00 0.00 52.55 49.96 2jnk s ASP 83 Cb 0.16 -2.55 -0.19 0.00 1.07 0.00 0.00 42.92 41.40 2jnk s ASP 83 CO 0.57 -1.12 1.22 -0.26 1.18 0.00 0.00 175.17 176.76 2jnk h PHE 84 N 7.60 0.19 -0.06 4.23 -1.00 -1.79 -3.13 116.94 122.98 2jnk h PHE 84 Ca 0.42 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 61.13 2jnk h PHE 84 Cb 0.88 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.40 2jnk h PHE 84 CO 1.38 0.69 0.00 0.27 -1.61 0.00 0.00 178.31 179.04 2jnk n ASN 85 N -4.67 0.85 -1.43 2.17 0.23 -1.26 -4.32 115.26 106.83 2jnk n ASN 85 Ca -0.08 -1.47 -0.15 0.00 -0.53 0.00 0.00 54.58 52.35 2jnk n ASN 85 Cb 0.35 -0.04 -0.06 0.00 -2.08 0.00 0.00 39.78 37.95 2jnk n ASN 85 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jnk n GLY 86 N 1.01 1.43 0.08 4.83 0.00 -1.19 -4.77 105.19 106.58 2jnk n GLY 86 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 2jnk n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jnk n ASN 87 N -0.71 0.51 0.00 1.61 5.15 -1.26 -5.00 115.26 115.56 2jnk n ASN 87 Ca -0.15 0.22 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 2jnk n ASN 87 Cb 0.49 0.74 0.00 0.00 -0.53 0.00 0.00 39.78 40.49 2jnk n ASN 87 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jnk n GLY 88 N 1.41 1.18 3.08 8.20 0.00 -1.26 -5.11 105.19 112.69 2jnk n GLY 88 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 2jnk n GLY 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jnk s LYS 89 N -0.17 0.31 -0.38 1.61 -2.85 -1.26 -5.12 119.74 111.87 2jnk s LYS 89 Ca 0.00 0.78 -0.10 0.00 -1.00 0.00 0.00 55.97 55.65 2jnk s LYS 89 Cb 0.00 -0.07 0.04 0.00 -2.06 0.00 0.00 37.83 35.74 2jnk s LYS 89 CO 0.00 -0.42 0.20 0.42 0.10 0.00 0.00 175.35 175.65 2jnk s ILE 90 N 2.56 4.39 0.03 3.79 -1.09 -1.26 -4.72 121.20 124.90 2jnk s ILE 90 Ca 0.05 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.46 2jnk s ILE 90 Cb -0.13 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 37.24 2jnk s ILE 90 CO -0.13 -0.28 0.00 -0.67 -1.23 0.00 0.00 174.94 172.63 2jnk n ASP 91 N 4.96 -0.29 0.30 3.58 -0.08 -1.26 -4.88 116.55 118.87 2jnk n ASP 91 Ca -0.12 0.17 0.17 0.00 -1.51 0.00 0.00 54.79 53.51 2jnk n ASP 91 Cb 0.45 0.46 0.91 0.00 2.34 0.00 0.00 41.12 45.28 2jnk n ASP 91 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2jnk h ILE 92 N 0.00 0.27 0.00 5.18 2.10 -1.96 -2.52 117.51 120.58 2jnk h ILE 92 Ca 0.00 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.65 2jnk h ILE 92 Cb 0.00 1.22 0.00 0.00 -1.09 0.00 0.00 36.82 36.95 2jnk h ILE 92 CO 0.00 0.04 0.12 0.61 -1.08 0.00 0.00 178.15 177.85 2jnk n GLY 93 N -0.76 -0.75 0.10 8.18 0.00 -1.26 -1.23 105.19 109.46 2jnk n GLY 93 Ca -0.02 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 2jnk n GLY 93 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jnk n ASP 94 N -2.15 0.62 -1.53 1.61 2.03 -0.95 -2.31 116.55 113.88 2jnk n ASP 94 Ca -0.01 0.11 -0.10 0.00 0.52 0.00 0.00 54.79 55.31 2jnk n ASP 94 Cb 0.15 0.42 0.20 0.00 -0.72 0.00 0.00 41.12 41.17 2jnk n ASP 94 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2jnk n LEU 95 N -2.94 5.03 0.00 -2.67 4.32 -0.36 -4.62 117.00 115.76 2jnk n LEU 95 Ca -0.30 -3.67 0.00 0.00 -0.02 0.00 0.00 56.01 52.01 2jnk n LEU 95 Cb 1.10 -0.70 0.00 0.00 -1.62 0.00 0.00 43.42 42.20 2jnk n LEU 95 CO 0.41 1.16 0.00 0.00 -1.22 0.00 0.00 177.39 177.74 2jnk n ALA 96 N -1.06 0.00 -0.22 -1.18 0.00 -0.50 -5.01 120.51 112.54 2jnk n ALA 96 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2jnk n ALA 96 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.70 2jnk n ALA 96 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2jnk n MET 97 N -0.26 0.00 0.17 0.00 0.00 -1.19 0.51 117.12 116.36 2jnk n MET 97 Ca 0.00 0.36 -0.14 0.00 0.00 0.00 0.00 57.70 57.92 2jnk n MET 97 Cb 0.00 -0.59 -0.08 0.00 0.00 0.00 0.00 33.22 32.55 2jnk n MET 97 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.97 175.73 2jnk h VAL 98 N 0.00 0.69 0.00 1.12 3.04 -1.74 -2.94 116.25 116.41 2jnk h VAL 98 Ca 0.00 -0.45 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 2jnk h VAL 98 Cb 0.00 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 30.20 2jnk h VAL 98 CO 0.00 0.09 0.00 -1.20 -1.01 0.00 0.00 177.57 175.45 2jnk n SER 99 N -5.18 0.00 0.13 3.17 7.64 -0.95 -2.47 113.62 115.97 2jnk n SER 99 Ca -0.10 0.25 -0.24 0.00 1.01 0.00 0.00 58.87 59.79 2jnk n SER 99 Cb 0.26 -0.27 -0.16 0.00 -1.01 0.00 0.00 64.21 63.02 2jnk n SER 99 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2jnk h LYS 100 N 0.00 0.50 0.00 1.43 5.09 0.26 -3.39 116.57 120.46 2jnk h LYS 100 Ca 0.00 -0.86 -0.13 0.00 0.09 0.00 0.00 60.65 59.75 2jnk h LYS 100 Cb 0.01 0.32 -0.02 0.00 0.10 0.00 0.00 32.23 32.64 2jnk h LYS 100 CO 0.00 1.41 -0.88 -2.95 -2.09 0.00 0.00 179.45 174.94 2jnk h ASN 101 N 0.14 0.00 -4.69 7.07 7.08 -1.60 -3.50 115.58 120.07 2jnk h ASN 101 Ca -0.28 -0.35 0.00 0.00 -3.08 0.00 0.00 56.30 52.59 2jnk h ASN 101 Cb 2.16 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.40 2jnk h ASN 101 CO 0.25 1.18 0.00 -0.38 -2.08 0.00 0.00 177.43 176.40 2jnk n ILE 102 N -4.52 -0.73 0.00 6.14 2.08 -1.03 -4.17 119.36 117.13 2jnk n ILE 102 Ca -0.21 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.10 2jnk n ILE 102 Cb 0.50 -1.90 0.00 0.00 -0.75 0.00 0.00 39.64 37.49 2jnk n ILE 102 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2jnk n GLY 103 N 2.18 0.89 3.83 7.39 0.00 0.22 -4.70 105.19 115.00 2jnk n GLY 103 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2jnk n GLY 103 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jnk s SER 104 N -2.23 6.77 0.11 1.61 0.15 -1.26 -4.59 113.70 114.27 2jnk s SER 104 Ca 0.00 0.92 0.19 0.00 0.70 0.00 0.00 55.95 57.75 2jnk s SER 104 Cb 0.00 -2.24 -0.09 0.00 -1.71 0.00 0.00 66.02 61.98 2jnk s SER 104 CO 0.00 0.31 0.91 0.71 1.20 0.00 0.00 173.24 176.37 2jnk h THR 105 N 3.79 0.34 -0.75 6.45 1.35 -1.92 -2.09 112.91 120.08 2jnk h THR 105 Ca -0.51 -1.67 0.09 0.00 -0.55 0.00 0.00 66.41 63.77 2jnk h THR 105 Cb 1.22 1.87 -0.07 0.00 -1.73 0.00 0.00 68.15 69.44 2jnk h THR 105 CO 0.62 0.19 0.41 0.71 -0.25 0.00 0.00 175.52 177.20 2jnk h THR 106 N 0.00 0.89 -3.37 6.82 1.35 -1.94 -3.38 112.91 113.28 2jnk h THR 106 Ca -0.11 -0.24 -0.56 0.00 -0.55 0.00 0.00 66.41 64.95 2jnk h THR 106 Cb 1.39 0.13 -0.06 0.00 -1.73 0.00 0.00 68.15 67.89 2jnk h THR 106 CO 0.03 0.13 1.04 0.20 -0.25 0.00 0.00 175.52 176.66 2jnk s ASN 107 N -5.56 6.40 -0.07 5.36 0.02 -1.26 -4.89 114.94 114.94 2jnk s ASN 107 Ca -0.13 0.69 -0.05 0.00 -1.02 0.00 0.00 52.86 52.36 2jnk s ASN 107 Cb 0.18 -2.54 -0.02 0.00 0.02 0.00 0.00 41.25 38.89 2jnk s ASN 107 CO 0.77 -1.41 -0.10 0.35 0.02 0.00 0.00 177.10 176.74 2jnk n THR 108 N 7.01 0.64 0.29 1.60 -2.24 -1.26 -4.35 114.28 115.97 2jnk n THR 108 Ca 0.15 0.37 0.19 0.00 -2.27 0.00 0.00 64.05 62.48 2jnk n THR 108 Cb 0.48 -1.89 0.95 0.00 -2.10 0.00 0.00 70.33 67.78 2jnk n THR 108 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2jnk h SER 109 N -0.44 0.00 0.40 3.42 0.87 -1.90 -0.93 113.55 114.97 2jnk h SER 109 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jnk h SER 109 Cb 0.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2jnk h SER 109 CO 0.00 0.00 0.00 -0.11 -0.53 0.00 0.00 176.83 176.19 2jnk n LEU 110 N -2.82 0.00 -4.18 2.23 7.94 -1.26 -4.48 117.00 114.42 2jnk n LEU 110 Ca -0.02 0.24 -0.36 0.00 -1.11 0.00 0.00 56.01 54.77 2jnk n LEU 110 Cb 0.10 -0.24 -0.13 0.00 0.53 0.00 0.00 43.42 43.68 2jnk n LEU 110 CO 0.18 -0.05 -0.27 -1.81 -1.11 0.00 0.00 177.39 174.34 2jnk s ASP 111 N -2.49 5.11 0.27 1.96 1.01 -0.35 -4.84 116.67 117.35 2jnk s ASP 111 Ca 0.25 -1.49 0.11 0.00 0.71 0.00 0.00 52.55 52.13 2jnk s ASP 111 Cb 0.17 -1.79 0.59 0.00 1.01 0.00 0.00 42.92 42.89 2jnk s ASP 111 CO 0.36 -0.37 1.21 0.18 0.21 0.00 0.00 175.17 176.76 2jnk n LEU 112 N 4.66 0.28 -0.00 1.23 4.77 -1.26 0.11 117.00 126.79 2jnk n LEU 112 Ca -0.09 0.51 0.04 0.00 -0.03 0.00 0.00 56.01 56.44 2jnk n LEU 112 Cb 0.43 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 2jnk n LEU 112 CO 0.30 -0.60 -0.35 0.59 -1.33 0.00 0.00 177.39 175.99 2jnk n ASN 113 N -1.92 1.92 -4.17 -1.43 5.03 -1.26 -2.68 115.26 110.75 2jnk n ASN 113 Ca -0.01 -0.30 -0.33 0.00 0.87 0.00 0.00 54.58 54.81 2jnk n ASN 113 Cb 0.31 1.22 -0.03 0.00 -1.02 0.00 0.00 39.78 40.26 2jnk n ASN 113 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 2jnk n LYS 114 N -1.54 -2.94 0.00 3.52 2.85 0.31 -4.40 118.16 115.97 2jnk n LYS 114 Ca -0.00 0.35 0.14 0.00 -1.05 0.00 0.00 58.31 57.75 2jnk n LYS 114 Cb 0.18 -4.82 0.56 0.00 -0.65 0.00 0.00 35.03 30.30 2jnk n LYS 114 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2jnk n ASP 115 N -2.75 0.88 -0.11 -5.58 5.75 -1.26 -4.92 116.55 108.56 2jnk n ASP 115 Ca -0.06 -0.98 0.00 0.00 -0.01 0.00 0.00 54.79 53.74 2jnk n ASP 115 Cb 0.56 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 2jnk n ASP 115 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jnk n GLY 116 N 1.23 1.05 3.20 6.12 0.00 -1.26 -5.05 105.19 110.49 2jnk n GLY 116 Ca 0.16 -0.45 0.04 0.00 0.00 0.00 0.00 46.02 45.77 2jnk n GLY 116 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jnk s SER 117 N -2.55 -0.17 -0.51 1.61 0.01 -0.80 -2.94 113.70 108.35 2jnk s SER 117 Ca 0.00 0.20 -0.27 0.00 1.31 0.00 0.00 55.95 57.19 2jnk s SER 117 Cb 0.00 1.18 -0.04 0.00 0.21 0.00 0.00 66.02 67.38 2jnk s SER 117 CO 0.00 -0.03 2.02 -0.63 0.41 0.00 0.00 173.24 175.01 2jnk s ILE 118 N 2.35 3.26 0.00 1.44 -1.09 -1.16 -4.40 121.20 121.61 2jnk s ILE 118 Ca -0.02 0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.59 2jnk s ILE 118 Cb -0.04 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.25 2jnk s ILE 118 CO -0.14 -0.53 0.00 -0.67 -1.23 0.00 0.00 174.94 172.36 2jnk n ASP 119 N 13.16 0.50 -0.25 3.58 2.03 -1.26 0.70 116.55 135.01 2jnk n ASP 119 Ca 0.26 -0.05 0.01 0.00 0.52 0.00 0.00 54.79 55.53 2jnk n ASP 119 Cb 0.52 0.00 0.14 0.00 -0.72 0.00 0.00 41.12 41.05 2jnk n ASP 119 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2jnk h GLU 120 N 0.00 0.61 -0.92 -0.67 5.08 -1.99 -0.42 114.58 116.28 2jnk h GLU 120 Ca 0.00 -0.04 0.27 0.00 -1.00 0.00 0.00 59.36 58.59 2jnk h GLU 120 Cb 0.00 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 2jnk h GLU 120 CO 0.00 0.41 0.79 1.88 -1.00 0.00 0.00 179.01 181.08 2jnk h TYR 121 N 0.63 0.00 0.00 4.33 0.05 -1.96 0.88 116.97 120.91 2jnk h TYR 121 Ca 0.35 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.13 2jnk h TYR 121 Cb 0.34 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.08 2jnk h TYR 121 CO -0.10 0.00 -1.04 0.39 -1.05 0.00 0.00 178.16 176.36 2jnk n GLU 122 N -3.88 0.38 0.04 4.88 -0.58 -0.19 -4.05 120.64 117.24 2jnk n GLU 122 Ca 0.19 0.02 0.10 0.00 -0.42 0.00 0.00 57.16 57.05 2jnk n GLU 122 Cb 1.10 -1.65 -0.09 0.00 -0.57 0.00 0.00 31.44 30.23 2jnk n GLU 122 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2jnk n ILE 123 N -2.14 0.36 -0.31 -3.67 2.08 0.27 -3.97 119.36 111.98 2jnk n ILE 123 Ca 0.01 -0.54 -0.01 0.00 0.56 0.00 0.00 62.75 62.78 2jnk n ILE 123 Cb 0.47 -0.19 0.05 0.00 -0.75 0.00 0.00 39.64 39.22 2jnk n ILE 123 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2jnk h SER 124 N 0.00 -1.19 0.45 4.38 0.02 -0.73 0.88 113.55 117.37 2jnk h SER 124 Ca -0.02 0.28 -0.30 0.00 -0.84 0.00 0.00 61.79 60.91 2jnk h SER 124 Cb 1.05 0.65 -0.05 0.00 0.14 0.00 0.00 62.40 64.19 2jnk h SER 124 CO 0.00 -0.29 -1.75 0.33 -1.14 0.00 0.00 176.83 173.98 2jnk n PHE 125 N -5.49 0.98 0.72 3.45 7.35 -1.25 -3.89 117.46 119.33 2jnk n PHE 125 Ca 0.09 0.34 0.09 0.00 -0.76 0.00 0.00 57.45 57.22 2jnk n PHE 125 Cb 0.40 -1.18 0.42 0.00 0.35 0.00 0.00 39.48 39.47 2jnk n PHE 125 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 2jnk n ILE 126 N -3.06 0.63 -0.05 -2.13 2.08 -0.69 -0.49 119.36 115.65 2jnk n ILE 126 Ca -0.18 0.16 -0.13 0.00 0.56 0.00 0.00 62.75 63.16 2jnk n ILE 126 Cb 1.06 -0.84 -0.14 0.00 -0.75 0.00 0.00 39.64 38.96 2jnk n ILE 126 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2jnk n ASN 127 N -1.43 1.04 -0.09 4.38 3.02 0.30 -4.30 115.26 118.17 2jnk n ASN 127 Ca 0.06 0.19 -0.23 0.00 -0.03 0.00 0.00 54.58 54.57 2jnk n ASN 127 Cb 0.19 0.01 -0.12 0.00 -0.61 0.00 0.00 39.78 39.26 2jnk n ASN 127 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2jnk n HIS 128 N -3.08 0.76 -0.45 3.10 8.25 -1.12 -3.09 115.22 119.60 2jnk n HIS 128 Ca -0.28 0.27 0.40 0.00 -0.26 0.00 0.00 57.72 57.85 2jnk n HIS 128 Cb 1.07 -1.08 0.76 0.00 1.12 0.00 0.00 29.99 31.86 2jnk n HIS 128 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2jnk h ARG 129 N -0.69 0.02 0.01 -0.41 1.12 -1.03 0.72 114.38 114.12 2jnk h ARG 129 Ca -0.47 -0.00 -0.32 0.00 -1.11 0.00 0.00 59.98 58.08 2jnk h ARG 129 Cb 1.58 -0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 31.48 2jnk h ARG 129 CO -0.19 0.01 -1.96 -0.89 -3.11 0.00 0.00 179.97 173.83 2jnk n ILE 130 N -4.15 1.55 0.20 1.20 -0.00 -1.26 -4.13 119.36 112.77 2jnk n ILE 130 Ca 0.32 -0.80 0.04 0.00 -0.00 0.00 0.00 62.75 62.32 2jnk n ILE 130 Cb 1.48 -0.94 0.42 0.00 -0.00 0.00 0.00 39.64 40.60 2jnk n ILE 130 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.55 176.80 2jnk h LEU 131 N 0.01 0.00 -1.92 1.39 5.85 0.36 -2.63 115.31 118.37 2jnk h LEU 131 Ca -0.39 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.41 2jnk h LEU 131 Cb 2.08 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 43.10 2jnk h LEU 131 CO 0.06 0.33 0.24 0.78 -0.34 0.00 0.00 178.44 179.50 2jnk h ASN 132 N 0.00 0.08 0.00 1.25 2.35 -0.87 -3.31 115.58 115.08 2jnk h ASN 132 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jnk h ASN 132 Cb 0.62 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.97 2jnk h ASN 132 CO 0.04 0.05 0.00 0.18 -1.65 0.00 0.00 177.43 176.06 2jnk n LEU 133 N -4.46 0.60 -3.62 1.61 7.99 -1.01 -5.11 117.00 112.99 2jnk n LEU 133 Ca 0.05 0.10 -0.03 0.00 -0.01 0.00 0.00 56.01 56.11 2jnk n LEU 133 Cb 0.35 -0.25 -0.03 0.00 -0.11 0.00 0.00 43.42 43.38 2jnk n LEU 133 CO 0.35 -0.25 1.09 -0.70 -1.51 0.00 0.00 177.39 176.37 2jnk s GLU 134 N -0.49 0.17 -0.25 3.23 2.12 -1.07 -5.08 118.70 117.33 2jnk s GLU 134 Ca 0.00 -0.02 -0.14 0.00 0.36 0.00 0.00 54.97 55.17 2jnk s GLU 134 Cb 0.00 0.08 -0.15 0.00 0.26 0.00 0.00 34.13 34.32 2jnk s GLU 134 CO 0.00 -0.07 -0.17 1.58 -0.54 0.00 0.00 175.26 176.07 2jnk n HIS 135 N 0.25 0.32 -3.70 5.30 -0.00 -1.26 -4.73 115.22 111.41 2jnk n HIS 135 Ca 0.00 0.13 -0.12 0.00 0.46 0.00 0.00 57.72 58.18 2jnk n HIS 135 Cb 0.58 -1.03 -0.13 0.00 -0.12 0.00 0.00 29.99 29.29 2jnk n HIS 135 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2jnk s HIS 136 N -2.47 -0.41 0.38 1.57 0.00 -1.26 -4.98 115.29 108.11 2jnk s HIS 136 Ca -0.35 0.94 0.00 0.00 -3.00 0.00 0.00 55.06 52.64 2jnk s HIS 136 Cb 0.12 0.05 0.00 0.00 -4.00 0.00 0.00 32.58 28.74 2jnk s HIS 136 CO 0.54 -0.30 0.00 1.58 -1.00 0.00 0.00 174.74 175.56 2jnk n HIS 137 N 4.71 -4.27 -2.26 0.38 -0.00 -1.26 -5.01 115.22 107.50 2jnk n HIS 137 Ca -0.17 1.30 -0.04 0.00 -0.00 0.00 0.00 57.72 58.81 2jnk n HIS 137 Cb 0.52 3.34 0.02 0.00 -0.00 0.00 0.00 29.99 33.86 2jnk n HIS 137 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jnk n HIS 138 N -3.32 -0.83 0.09 1.57 -0.00 -1.26 -4.96 115.22 106.52 2jnk n HIS 138 Ca 0.00 -0.95 -0.06 0.00 -0.00 0.00 0.00 57.72 56.71 2jnk n HIS 138 Cb 0.00 0.92 0.04 0.00 -0.00 0.00 0.00 29.99 30.95 2jnk n HIS 138 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 2jnk h HIS 139 N 0.40 0.18 0.00 1.57 2.07 -1.95 -3.56 115.15 113.87 2jnk h HIS 139 Ca -0.48 -0.09 0.00 0.00 -2.85 0.00 0.00 60.37 56.95 2jnk h HIS 139 Cb 1.31 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 31.27 2jnk h HIS 139 CO -0.13 0.85 0.00 0.72 -3.07 0.00 0.00 177.93 176.30