#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnk s ASP 2 N 0.00 5.09 0.00 6.12 1.11 -1.26 -2.85 116.67 124.88 2jnk s ASP 2 Ca 0.00 2.12 0.00 0.00 0.18 0.00 0.00 52.55 54.85 2jnk s ASP 2 Cb 0.00 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.42 2jnk s ASP 2 CO 0.00 -1.64 0.00 0.29 1.18 0.00 0.00 175.17 175.00 2jnk n LYS 3 N -2.17 -1.13 -0.03 8.23 5.02 -1.26 -4.82 118.16 122.01 2jnk n LYS 3 Ca 0.11 0.28 -0.21 0.00 -2.02 0.00 0.00 58.31 56.48 2jnk n LYS 3 Cb 0.51 -4.24 -0.13 0.00 -0.02 0.00 0.00 35.03 31.15 2jnk n LYS 3 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2jnk n THR 4 N -2.29 1.71 -0.52 -0.18 -1.04 -1.13 -4.12 114.28 106.70 2jnk n THR 4 Ca 0.00 -0.62 0.43 0.00 -2.04 0.00 0.00 64.05 61.82 2jnk n THR 4 Cb 0.28 -1.68 0.74 0.00 -1.82 0.00 0.00 70.33 67.85 2jnk n THR 4 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 2jnk h ASN 5 N 0.01 0.09 0.02 8.00 -0.00 -1.88 0.51 115.58 122.33 2jnk h ASN 5 Ca -0.46 0.04 -0.00 0.00 -0.00 0.00 0.00 56.30 55.88 2jnk h ASN 5 Cb 1.98 0.04 0.00 0.00 -0.00 0.00 0.00 38.32 40.34 2jnk h ASN 5 CO 0.04 -0.05 -0.01 -0.07 -0.00 0.00 0.00 177.43 177.34 2jnk h LEU 6 N 0.04 -0.03 -2.01 0.34 -0.00 -1.96 -1.15 115.31 110.55 2jnk h LEU 6 Ca 0.80 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 58.69 2jnk h LEU 6 Cb 2.96 0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 43.62 2jnk h LEU 6 CO -0.14 0.04 0.34 1.23 -0.00 0.00 0.00 178.44 179.91 2jnk h GLY 7 N -0.14 0.00 0.50 0.83 0.00 -1.49 1.16 103.07 103.93 2jnk h GLY 7 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 2jnk h GLY 7 CO 0.00 0.00 -1.54 -1.84 0.00 0.00 0.00 176.54 173.17 2jnk n GLU 8 N -2.97 0.63 -0.05 4.80 -0.00 0.17 -2.90 120.64 120.33 2jnk n GLU 8 Ca -0.01 -0.02 0.02 0.00 -0.00 0.00 0.00 57.16 57.14 2jnk n GLU 8 Cb 0.40 -1.67 -0.16 0.00 -0.00 0.00 0.00 31.44 30.00 2jnk n GLU 8 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2jnk n LEU 9 N -2.50 0.01 0.00 -1.84 4.77 0.11 -4.42 117.00 113.12 2jnk n LEU 9 Ca -0.04 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.80 2jnk n LEU 9 Cb 0.60 0.21 -0.14 0.00 -2.33 0.00 0.00 43.42 41.76 2jnk n LEU 9 CO 0.43 0.21 -0.59 0.16 -1.33 0.00 0.00 177.39 176.27 2jnk h ILE 10 N 0.00 0.82 -1.23 -0.08 3.07 0.96 -2.96 117.51 118.10 2jnk h ILE 10 Ca -0.23 -2.59 0.35 0.00 1.55 0.00 0.00 64.86 63.94 2jnk h ILE 10 Cb 1.53 2.51 -0.06 0.00 -0.27 0.00 0.00 36.82 40.53 2jnk h ILE 10 CO 0.01 0.69 0.87 0.78 -1.05 0.00 0.00 178.15 179.45 2jnk h ASN 11 N 0.04 0.09 0.17 2.16 -0.26 -1.68 0.38 115.58 116.47 2jnk h ASN 11 Ca -0.33 0.02 -0.35 0.00 -0.56 0.00 0.00 56.30 55.09 2jnk h ASN 11 Cb 2.02 0.01 -0.06 0.00 -1.06 0.00 0.00 38.32 39.23 2jnk h ASN 11 CO 0.10 0.00 -2.15 0.00 -1.06 0.00 0.00 177.43 174.32 2jnk n GLN 12 N -4.27 0.67 0.13 0.81 10.64 -1.25 -3.92 117.38 120.19 2jnk n GLN 12 Ca 0.28 0.14 -0.07 0.00 -1.83 0.00 0.00 57.00 55.51 2jnk n GLN 12 Cb 1.26 -1.62 -0.04 0.00 -0.86 0.00 0.00 30.24 28.97 2jnk n GLN 12 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 2jnk h GLY 13 N 3.26 -0.85 2.00 2.61 0.00 -0.09 1.08 103.07 111.08 2jnk h GLY 13 Ca -0.46 0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2jnk h GLY 13 CO 0.03 -0.29 0.00 0.07 0.00 0.00 0.00 176.54 176.36 2jnk h LYS 14 N -0.40 0.00 0.04 4.80 -0.00 -1.58 -0.21 116.57 119.21 2jnk h LYS 14 Ca -0.03 0.00 -0.24 0.00 -0.00 0.00 0.00 60.65 60.39 2jnk h LYS 14 Cb 0.34 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.55 2jnk h LYS 14 CO -0.01 0.00 -1.14 0.77 -0.00 0.00 0.00 179.45 179.08 2jnk h SER 15 N 0.00 0.13 0.03 7.07 0.02 -1.52 -2.84 113.55 116.43 2jnk h SER 15 Ca 0.00 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2jnk h SER 15 Cb 0.16 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2jnk h SER 15 CO 0.00 1.11 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.72 2jnk h LEU 16 N 0.02 -0.03 -1.80 5.07 3.38 0.29 -1.81 115.31 120.43 2jnk h LEU 16 Ca -0.07 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.16 2jnk h LEU 16 Cb 1.85 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 42.57 2jnk h LEU 16 CO 0.15 0.01 0.80 0.25 0.09 0.00 0.00 178.44 179.74 2jnk h LEU 17 N -0.11 0.00 -1.38 1.67 5.85 -1.44 1.23 115.31 121.12 2jnk h LEU 17 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jnk h LEU 17 Cb 0.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2jnk h LEU 17 CO 0.01 0.00 -0.16 -0.67 -0.34 0.00 0.00 178.44 177.27 2jnk n ASP 18 N -3.81 2.31 -0.08 1.25 2.03 -1.07 -4.22 116.55 112.95 2jnk n ASP 18 Ca 0.19 -1.68 -0.11 0.00 0.52 0.00 0.00 54.79 53.71 2jnk n ASP 18 Cb 1.10 0.15 -0.08 0.00 -0.72 0.00 0.00 41.12 41.58 2jnk n ASP 18 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2jnk n GLU 19 N 0.59 0.51 -1.17 -0.67 2.13 0.36 -5.00 120.64 117.38 2jnk n GLU 19 Ca 0.13 0.09 -0.30 0.00 0.66 0.00 0.00 57.16 57.74 2jnk n GLU 19 Cb 0.50 -1.34 0.23 0.00 0.27 0.00 0.00 31.44 31.11 2jnk n GLU 19 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2jnk s SER 20 N -5.56 1.16 -0.24 4.31 1.04 0.22 -5.07 113.70 109.56 2jnk s SER 20 Ca -0.22 0.60 -0.14 0.00 0.48 0.00 0.00 55.95 56.67 2jnk s SER 20 Cb 0.06 -0.82 0.07 0.00 0.10 0.00 0.00 66.02 65.43 2jnk s SER 20 CO 0.40 -3.97 0.60 0.54 0.98 0.00 0.00 173.24 171.78 2jnk s VAL 21 N -3.10 -0.01 -0.47 5.02 0.11 -1.26 -4.93 120.40 115.76 2jnk s VAL 21 Ca 0.71 0.03 -0.29 0.00 -2.93 0.00 0.00 61.98 59.50 2jnk s VAL 21 Cb -0.09 -0.86 0.02 0.00 -1.53 0.00 0.00 36.38 33.91 2jnk s VAL 21 CO 0.56 0.01 1.28 -1.83 -3.33 0.00 0.00 175.10 171.79 2jnk s GLU 22 N 1.45 3.60 0.00 1.54 4.04 -1.25 -1.05 118.70 127.03 2jnk s GLU 22 Ca -0.09 0.68 0.00 0.00 0.04 0.00 0.00 54.97 55.60 2jnk s GLU 22 Cb -0.06 -3.99 0.00 0.00 0.02 0.00 0.00 34.13 30.10 2jnk s GLU 22 CO -0.16 -1.54 0.00 0.41 -1.84 0.00 0.00 175.26 172.13 2jnk n GLY 23 N 5.01 0.85 0.00 -3.83 0.00 1.16 -4.76 105.19 103.62 2jnk n GLY 23 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.63 1.61 1.16 -1.24 -4.61 117.46 110.75 2jnk n PHE 24 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.59 2jnk n PHE 24 Cb 0.00 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 37.86 2jnk n PHE 24 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 2jnk s ASN 25 N 0.00 -0.08 -0.33 5.98 2.20 -1.10 -4.53 114.94 117.08 2jnk s ASN 25 Ca 0.00 -0.16 -0.39 0.00 -0.94 0.00 0.00 52.86 51.37 2jnk s ASN 25 Cb 0.00 0.20 -0.14 0.00 -2.00 0.00 0.00 41.25 39.31 2jnk s ASN 25 CO 0.00 -0.37 1.96 0.55 -2.94 0.00 0.00 177.10 176.30 2jnk n VAL 26 N -0.47 0.23 0.00 3.54 3.14 -1.26 0.41 118.33 123.92 2jnk n VAL 26 Ca -0.08 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 2jnk n VAL 26 Cb 0.62 -1.29 0.00 0.00 -1.06 0.00 0.00 33.84 32.12 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 5.50 1.97 3.02 7.55 0.00 -0.42 -5.01 105.19 117.79 2jnk n GLY 27 Ca 0.36 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.16 2jnk n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jnk s GLU 28 N -0.17 1.23 0.63 1.61 8.01 0.17 -4.22 118.70 125.96 2jnk s GLU 28 Ca 0.00 -0.35 0.04 0.00 0.01 0.00 0.00 54.97 54.66 2jnk s GLU 28 Cb 0.00 -1.10 0.10 0.00 -4.31 0.00 0.00 34.13 28.81 2jnk s GLU 28 CO 0.00 0.10 0.87 1.52 0.01 0.00 0.00 175.26 177.76 2jnk s TYR 29 N 0.34 1.71 -0.69 1.61 1.13 -0.22 -2.70 117.35 118.55 2jnk s TYR 29 Ca -0.07 -0.43 0.05 0.00 -1.41 0.00 0.00 57.07 55.22 2jnk s TYR 29 Cb -0.11 -2.64 0.19 0.00 -1.10 0.00 0.00 41.96 38.30 2jnk s TYR 29 CO 0.01 -1.35 0.57 1.58 -2.51 0.00 0.00 175.55 173.86 2jnk n HIS 30 N -2.51 3.34 -1.42 -3.49 -0.00 -1.26 0.37 115.22 110.25 2jnk n HIS 30 Ca 0.14 -4.26 0.17 0.00 0.46 0.00 0.00 57.72 54.23 2jnk n HIS 30 Cb 0.61 -0.60 -0.08 0.00 -0.12 0.00 0.00 29.99 29.79 2jnk n HIS 30 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2jnk n LYS 31 N 1.63 -3.16 0.00 1.57 4.01 -1.26 -4.39 118.16 116.56 2jnk n LYS 31 Ca 0.23 2.53 0.00 0.00 -0.51 0.00 0.00 58.31 60.56 2jnk n LYS 31 Cb 0.37 -3.74 0.00 0.00 -0.51 0.00 0.00 35.03 31.15 2jnk n LYS 31 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2jnk n GLY 32 N -4.29 2.85 0.06 0.72 0.00 -1.26 -4.83 105.19 98.44 2jnk n GLY 32 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 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 0.01 0.00 4.61 0.00 -1.93 -3.27 119.26 118.67 2jnk h ALA 33 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2jnk h ALA 33 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jnk h ALA 33 CO 0.00 0.04 0.70 -0.22 0.00 0.00 0.00 179.25 179.77 2jnk h LYS 34 N -1.00 0.00 0.00 0.00 1.63 -1.93 -2.91 116.57 112.36 2jnk h LYS 34 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2jnk h LYS 34 Cb 0.39 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 2jnk h LYS 34 CO -0.01 0.00 0.00 -3.47 -3.45 0.00 0.00 179.45 172.52 2jnk n ASP 35 N -2.29 0.00 0.00 4.20 2.03 -1.25 -4.18 116.55 115.07 2jnk n ASP 35 Ca -0.01 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2jnk n ASP 35 Cb 0.71 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 2jnk n ASP 35 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jnk n GLY 36 N 1.68 -3.19 0.43 0.27 0.00 -1.11 0.35 105.19 103.61 2jnk n GLY 36 Ca 0.00 0.52 0.19 0.00 0.00 0.00 0.00 46.02 46.73 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 0.04 0.99 5.85 -1.68 0.84 115.31 121.35 2jnk h LEU 37 Ca 0.00 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.37 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 -2.10 0.41 -0.34 0.00 0.00 178.44 176.41 2jnk n THR 38 N -3.20 1.60 -0.17 1.05 -1.04 0.22 -3.49 114.28 109.25 2jnk n THR 38 Ca 0.11 -0.71 0.12 0.00 -2.04 0.00 0.00 64.05 61.53 2jnk n THR 38 Cb 1.00 -1.26 0.46 0.00 -1.82 0.00 0.00 70.33 68.70 2jnk n THR 38 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2jnk h VAL 39 N 0.02 0.86 -0.06 12.58 2.07 1.29 1.47 116.25 134.49 2jnk h VAL 39 Ca -0.45 -0.18 -0.15 0.00 0.82 0.00 0.00 66.70 66.75 2jnk h VAL 39 Cb 2.04 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 2jnk h VAL 39 CO 0.04 0.09 -0.61 1.05 0.02 0.00 0.00 177.57 178.16 2jnk h GLU 40 N 0.52 0.23 0.33 1.57 4.11 -1.26 -2.26 114.58 117.82 2jnk h GLU 40 Ca 0.35 -0.16 -0.02 0.00 0.07 0.00 0.00 59.36 59.60 2jnk h GLU 40 Cb 0.65 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2jnk h GLU 40 CO -0.12 0.77 -0.16 0.82 0.07 0.00 0.00 179.01 180.39 2jnk h ILE 41 N 0.17 0.00 -1.16 -1.06 1.08 0.94 1.90 117.51 119.38 2jnk h ILE 41 Ca -0.01 -0.55 0.34 0.00 -0.39 0.00 0.00 64.86 64.25 2jnk h ILE 41 Cb 1.12 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.77 2jnk h ILE 41 CO 0.09 0.00 0.75 0.78 -0.69 0.00 0.00 178.15 179.09 2jnk h ASN 42 N -1.00 0.34 0.71 1.72 2.35 0.14 1.19 115.58 121.03 2jnk h ASN 42 Ca -0.05 0.10 -0.25 0.00 -0.55 0.00 0.00 56.30 55.56 2jnk h ASN 42 Cb 0.34 0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 2jnk h ASN 42 CO 0.07 -0.03 -1.41 0.50 -1.65 0.00 0.00 177.43 174.92 2jnk h LYS 43 N 0.25 0.00 0.00 0.81 1.63 -1.39 -3.30 116.57 114.57 2jnk h LYS 43 Ca 0.68 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.48 2jnk h LYS 43 Cb 1.98 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.61 2jnk h LYS 43 CO -0.33 0.63 -0.03 0.00 -3.45 0.00 0.00 179.45 176.27 2jnk h ALA 44 N 1.06 0.00 -1.03 5.00 0.00 1.05 -3.26 119.26 122.08 2jnk h ALA 44 Ca -0.18 -0.03 0.28 0.00 0.00 0.00 0.00 54.91 54.98 2jnk h ALA 44 Cb 1.87 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 19.57 2jnk h ALA 44 CO 0.09 0.03 0.62 0.93 0.00 0.00 0.00 179.25 180.93 2jnk h GLU 45 N -0.96 0.43 0.00 0.00 4.39 0.76 2.45 114.58 121.65 2jnk h GLU 45 Ca 0.00 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2jnk h GLU 45 Cb 0.03 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2jnk h GLU 45 CO 0.00 0.28 -0.05 0.93 -1.16 0.00 0.00 179.01 179.01 2jnk h GLU 46 N 0.44 0.00 0.04 2.33 4.39 -1.69 -2.08 114.58 118.02 2jnk h GLU 46 Ca 0.67 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.99 2jnk h GLU 46 Cb 1.50 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.10 2jnk h GLU 46 CO -0.47 0.05 -2.27 0.28 -1.16 0.00 0.00 179.01 175.44 2jnk n VAL 47 N -3.52 1.59 -0.19 3.13 0.31 0.74 -3.56 118.33 116.84 2jnk n VAL 47 Ca -0.02 -0.56 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 2jnk n VAL 47 Cb 0.16 -1.59 0.09 0.00 -0.91 0.00 0.00 33.84 31.59 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 -0.10 0.01 -0.40 3.52 3.57 0.13 0.49 116.94 124.16 2jnk h PHE 48 Ca -0.53 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.01 2jnk h PHE 48 Cb 1.89 0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.72 2jnk h PHE 48 CO 0.04 -0.13 0.00 0.09 -2.23 0.00 0.00 178.31 176.08 2jnk n ASN 49 N -5.24 2.50 -4.94 0.41 3.02 -0.81 -4.92 115.26 105.29 2jnk n ASN 49 Ca 0.08 -2.10 -0.25 0.00 -0.03 0.00 0.00 54.58 52.29 2jnk n ASN 49 Cb 0.33 -0.34 0.01 0.00 -0.61 0.00 0.00 39.78 39.17 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 -1.54 3.13 -0.07 3.52 2.20 0.17 -5.02 119.74 122.13 2jnk s LYS 50 Ca 0.28 -0.26 0.18 0.00 -0.36 0.00 0.00 55.97 55.82 2jnk s LYS 50 Cb 0.16 -2.47 -0.23 0.00 -1.51 0.00 0.00 37.83 33.78 2jnk s LYS 50 CO 0.17 -0.33 0.44 -1.91 -0.36 0.00 0.00 175.35 173.35 2jnk n GLU 51 N -2.21 0.66 -0.20 4.03 2.13 -1.26 -3.91 120.64 119.87 2jnk n GLU 51 Ca 0.01 0.05 0.02 0.00 0.66 0.00 0.00 57.16 57.91 2jnk n GLU 51 Cb 0.57 -1.63 0.11 0.00 0.27 0.00 0.00 31.44 30.76 2jnk n GLU 51 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2jnk n ASP 52 N -2.72 1.91 -2.06 4.31 8.00 -1.26 -4.30 116.55 120.42 2jnk n ASP 52 Ca -0.19 -2.17 -0.09 0.00 0.71 0.00 0.00 54.79 53.05 2jnk n ASP 52 Cb 0.93 -0.41 -0.13 0.00 -0.02 0.00 0.00 41.12 41.50 2jnk n ASP 52 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jnk n ALA 53 N 0.15 5.23 -1.59 2.24 0.00 -1.25 -3.27 120.51 122.02 2jnk n ALA 53 Ca 0.08 -1.38 0.00 0.00 0.00 0.00 0.00 53.44 52.13 2jnk n ALA 53 Cb 0.40 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.61 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 2.53 0.00 0.32 0.00 -2.24 -1.26 -4.40 114.28 109.23 2jnk n THR 54 Ca 0.32 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.22 2jnk n THR 54 Cb 0.72 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 69.04 2jnk n THR 54 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2jnk h GLU 55 N 0.00 0.00 0.00 -0.78 4.11 -1.98 -3.32 114.58 112.61 2jnk h GLU 55 Ca 0.00 0.00 -0.40 0.00 0.07 0.00 0.00 59.36 59.03 2jnk h GLU 55 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 2jnk h GLU 55 CO 0.00 0.00 -2.18 -0.85 0.07 0.00 0.00 179.01 176.05 2jnk n GLU 56 N -2.47 0.58 -0.03 1.06 0.28 -1.26 -4.51 120.64 114.28 2jnk n GLU 56 Ca 0.02 0.35 -0.15 0.00 -0.16 0.00 0.00 57.16 57.22 2jnk n GLU 56 Cb 0.50 -1.56 -0.09 0.00 1.43 0.00 0.00 31.44 31.72 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 0.44 0.15 3.44 4.57 -1.77 -3.20 114.58 117.21 2jnk h GLU 57 Ca -0.60 -0.34 0.01 0.00 -1.18 0.00 0.00 59.36 57.24 2jnk h GLU 57 Cb 1.53 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 30.15 2jnk h GLU 57 CO -0.37 0.97 -0.42 0.82 -1.18 0.00 0.00 179.01 178.84 2jnk h ILE 58 N 0.01 0.00 -1.04 2.32 2.04 -1.76 0.30 117.51 119.39 2jnk h ILE 58 Ca -0.02 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.11 2jnk h ILE 58 Cb 1.03 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.00 2jnk h ILE 58 CO 0.08 0.00 0.64 -0.55 0.00 0.00 0.00 178.15 178.32 2jnk h ASN 59 N -0.63 0.55 0.10 1.72 -1.07 -1.79 1.33 115.58 115.79 2jnk h ASN 59 Ca -0.01 0.12 -0.10 0.00 0.07 0.00 0.00 56.30 56.38 2jnk h ASN 59 Cb 0.61 0.04 -0.01 0.00 -2.07 0.00 0.00 38.32 36.89 2jnk h ASN 59 CO -0.20 0.06 -0.34 -0.07 0.07 0.00 0.00 177.43 176.95 2jnk h LEU 60 N 0.46 0.35 0.00 6.14 3.38 -1.19 -2.40 115.31 122.05 2jnk h LEU 60 Ca 0.64 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.48 2jnk h LEU 60 Cb 1.45 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2jnk h LEU 60 CO -0.42 0.67 -0.80 0.00 0.09 0.00 0.00 178.44 177.98 2jnk h ALA 61 N 1.35 0.59 0.00 1.53 0.00 0.49 -3.33 119.26 119.89 2jnk h ALA 61 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2jnk h ALA 61 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2jnk h ALA 61 CO 0.06 0.00 -0.43 1.57 0.00 0.00 0.00 179.25 180.45 2jnk h LYS 62 N 0.00 0.00 -0.30 0.00 5.09 0.14 -3.25 116.57 118.24 2jnk h LYS 62 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 60.65 60.81 2jnk h LYS 62 Cb 0.96 0.00 -0.07 0.00 0.10 0.00 0.00 32.23 33.22 2jnk h LYS 62 CO 0.00 0.00 -0.18 0.93 -2.09 0.00 0.00 179.45 178.11 2jnk h GLU 63 N 0.00 -0.14 0.00 0.07 5.08 -1.55 -1.70 114.58 116.35 2jnk h GLU 63 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2jnk h GLU 63 Cb 0.94 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2jnk h GLU 63 CO 0.00 -0.09 -0.77 0.43 -1.00 0.00 0.00 179.01 177.58 2jnk n SER 64 N -5.35 0.62 -0.10 1.42 7.64 -1.26 -3.09 113.62 113.51 2jnk n SER 64 Ca 0.00 -0.19 -0.14 0.00 1.01 0.00 0.00 58.87 59.55 2jnk n SER 64 Cb 0.26 0.49 -0.03 0.00 -1.01 0.00 0.00 64.21 63.91 2jnk n SER 64 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2jnk h LEU 65 N 0.00 0.96 -0.25 -3.43 3.38 -1.46 0.57 115.31 115.07 2jnk h LEU 65 Ca 0.00 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2jnk h LEU 65 Cb 0.65 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2jnk h LEU 65 CO 0.00 1.27 -0.57 -1.84 0.09 0.00 0.00 178.44 177.39 2jnk n GLU 66 N -4.07 0.36 -0.00 1.13 0.28 -0.69 -3.77 120.64 113.88 2jnk n GLU 66 Ca -0.03 -0.25 0.04 0.00 -0.16 0.00 0.00 57.16 56.75 2jnk n GLU 66 Cb 0.57 -1.49 -0.06 0.00 1.43 0.00 0.00 31.44 31.89 2jnk n GLU 66 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jnk n GLY 67 N 1.45 -0.20 0.13 -1.84 0.00 -1.17 -4.36 105.19 99.20 2jnk n GLY 67 Ca 0.07 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 2jnk n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jnk n ALA 68 N -1.61 1.00 -0.24 4.61 0.00 0.20 -3.62 120.51 120.84 2jnk n ALA 68 Ca -0.01 -0.71 -0.06 0.00 0.00 0.00 0.00 53.44 52.66 2jnk n ALA 68 Cb 0.19 -0.49 0.05 0.00 0.00 0.00 0.00 19.45 19.20 2jnk n ALA 68 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2jnk h ILE 69 N -0.21 1.23 -0.10 0.00 3.07 -1.69 0.16 117.51 119.96 2jnk h ILE 69 Ca -0.46 -0.63 0.03 0.00 1.55 0.00 0.00 64.86 65.35 2jnk h ILE 69 Cb 1.85 0.39 -0.00 0.00 -0.27 0.00 0.00 36.82 38.78 2jnk h ILE 69 CO -0.04 0.26 0.14 0.00 -1.05 0.00 0.00 178.15 177.46 2jnk h ALA 70 N 1.16 1.62 0.00 0.16 0.00 -1.76 -0.02 119.26 120.42 2jnk h ALA 70 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2jnk h ALA 70 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2jnk h ALA 70 CO -0.03 -0.19 -0.12 0.00 0.00 0.00 0.00 179.25 178.91 2jnk h ARG 71 N 0.00 0.00 -1.18 0.00 -0.00 -0.89 -3.35 114.38 108.95 2jnk h ARG 71 Ca 0.05 0.00 0.35 0.00 -0.50 0.00 0.00 59.98 59.88 2jnk h ARG 71 Cb 0.32 0.00 -0.10 0.00 0.00 0.00 0.00 29.97 30.19 2jnk h ARG 71 CO -0.00 0.00 0.77 0.35 0.00 0.00 0.00 179.97 181.09 2jnk h PHE 72 N -0.58 0.53 -0.90 3.04 3.04 -0.64 0.42 116.94 121.86 2jnk h PHE 72 Ca 0.00 0.02 0.11 0.00 3.98 0.00 0.00 57.97 62.08 2jnk h PHE 72 Cb 0.12 -0.15 -0.07 0.00 2.56 0.00 0.00 35.95 38.42 2jnk h PHE 72 CO -0.05 -0.05 0.58 -0.91 -2.02 0.00 0.00 178.31 175.86 2jnk h ASN 73 N 0.23 0.79 -1.10 0.41 2.35 -1.15 -1.54 115.58 115.57 2jnk h ASN 73 Ca 0.69 0.03 -0.65 0.00 -0.55 0.00 0.00 56.30 55.82 2jnk h ASN 73 Cb 2.04 -0.13 -0.34 0.00 0.05 0.00 0.00 38.32 39.94 2jnk h ASN 73 CO -0.32 0.45 0.28 -1.54 -1.65 0.00 0.00 177.43 174.65 2jnk n SER 74 N -4.55 6.65 -0.01 5.81 3.41 0.15 -4.41 113.62 120.67 2jnk n SER 74 Ca 0.16 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 54.99 2jnk n SER 74 Cb 0.34 -0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 63.50 2jnk n SER 74 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jnk n LEU 75 N -0.78 0.00 -2.31 1.04 4.77 -0.58 -4.04 117.00 115.11 2jnk n LEU 75 Ca 0.54 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.39 2jnk n LEU 75 Cb 0.70 0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.72 2jnk n LEU 75 CO 0.61 0.04 1.63 0.00 -1.33 0.00 0.00 177.39 178.34 2jnk n LEU 76 N -1.87 4.54 -3.39 2.23 -0.00 -1.25 -3.98 117.00 113.27 2jnk n LEU 76 Ca -0.03 -2.76 -0.16 0.00 -0.00 0.00 0.00 56.01 53.06 2jnk n LEU 76 Cb 0.35 -1.14 0.03 0.00 -0.00 0.00 0.00 43.42 42.66 2jnk n LEU 76 CO 0.08 1.22 0.07 -0.38 -0.00 0.00 0.00 177.39 178.39 2jnk n ILE 77 N 2.84 -7.76 0.00 1.47 2.08 -1.22 -1.30 119.36 115.47 2jnk n ILE 77 Ca 0.38 -0.66 0.00 0.00 0.56 0.00 0.00 62.75 63.03 2jnk n ILE 77 Cb 0.62 -5.54 0.00 0.00 -0.75 0.00 0.00 39.64 33.97 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 -2.91 0.00 0.19 0.38 -0.58 -1.26 -4.00 120.64 112.47 2jnk n GLU 78 Ca -0.09 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.77 2jnk n GLU 78 Cb 0.58 0.00 0.36 0.00 -0.57 0.00 0.00 31.44 31.81 2jnk n GLU 78 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2jnk h GLU 79 N 0.00 0.00 0.00 3.49 5.08 -1.93 1.12 114.58 122.34 2jnk h GLU 79 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2jnk h GLU 79 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2jnk h GLU 79 CO 0.00 0.00 -0.26 -1.13 -1.00 0.00 0.00 179.01 176.62 2jnk n SER 80 N -2.88 1.66 -0.08 1.42 3.41 -1.26 -4.81 113.62 111.07 2jnk n SER 80 Ca 0.05 -2.93 0.26 0.00 -0.26 0.00 0.00 58.87 55.99 2jnk n SER 80 Cb 0.94 -0.39 0.66 0.00 -0.26 0.00 0.00 64.21 65.16 2jnk n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jnk h THR 81 N 2.10 0.26 -1.54 6.66 1.03 0.11 -1.65 112.91 119.89 2jnk h THR 81 Ca -0.02 0.00 0.47 0.00 -0.01 0.00 0.00 66.41 66.85 2jnk h THR 81 Cb 1.14 0.41 -0.10 0.00 -1.07 0.00 0.00 68.15 68.54 2jnk h THR 81 CO 0.01 0.00 1.06 1.23 -0.01 0.00 0.00 175.52 177.81 2jnk h GLY 82 N 0.00 0.60 -7.60 2.99 0.00 -1.87 -3.18 103.07 94.00 2jnk h GLY 82 Ca 0.36 -0.05 -0.68 0.00 0.00 0.00 0.00 47.33 46.95 2jnk h GLY 82 CO -0.00 -0.18 1.62 0.99 0.00 0.00 0.00 176.54 178.97 2jnk s ASP 83 N -4.40 6.80 0.11 0.19 1.01 -0.62 -4.51 116.67 115.25 2jnk s ASP 83 Ca -0.06 -2.33 -0.15 0.00 0.71 0.00 0.00 52.55 50.72 2jnk s ASP 83 Cb 0.27 -2.50 -0.06 0.00 1.01 0.00 0.00 42.92 41.64 2jnk s ASP 83 CO 0.85 -1.11 1.49 -0.26 0.21 0.00 0.00 175.17 176.34 2jnk h PHE 84 N 8.11 0.78 0.00 4.23 0.04 -1.86 -3.30 116.94 124.95 2jnk h PHE 84 Ca 0.32 -0.19 -0.15 0.00 2.80 0.00 0.00 57.97 60.75 2jnk h PHE 84 Cb 0.92 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.86 2jnk h PHE 84 CO 1.27 0.88 -2.07 0.27 -0.60 0.00 0.00 178.31 178.07 2jnk n ASN 85 N -4.37 0.47 0.00 2.17 0.23 -1.26 -3.46 115.26 109.04 2jnk n ASN 85 Ca -0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.02 2jnk n ASN 85 Cb 0.38 1.48 0.00 0.00 -2.08 0.00 0.00 39.78 39.56 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 1.60 0.51 0.29 4.83 0.00 -1.25 -4.92 105.19 106.25 2jnk n GLY 86 Ca -0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.01 2jnk n GLY 86 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2jnk h ASN 87 N 0.00 0.00 0.00 1.61 2.35 -1.94 -3.46 115.58 114.14 2jnk h ASN 87 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jnk h ASN 87 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2jnk h ASN 87 CO 0.00 0.04 0.00 0.61 -1.65 0.00 0.00 177.43 176.43 2jnk n GLY 88 N -1.11 1.10 3.03 2.83 0.00 -1.26 -5.09 105.19 104.69 2jnk n GLY 88 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.07 2.23 -0.47 1.61 -2.85 -1.26 -5.08 119.74 113.84 2jnk s LYS 89 Ca 0.00 -0.87 -0.04 0.00 -1.00 0.00 0.00 55.97 54.05 2jnk s LYS 89 Cb 0.00 -2.46 0.12 0.00 -2.06 0.00 0.00 37.83 33.43 2jnk s LYS 89 CO 0.00 -0.39 0.29 0.42 0.10 0.00 0.00 175.35 175.77 2jnk s ILE 90 N 1.35 3.60 0.18 3.79 -1.09 -1.26 -4.59 121.20 123.18 2jnk s ILE 90 Ca -0.01 -2.17 0.00 0.00 -2.23 0.00 0.00 60.65 56.24 2jnk s ILE 90 Cb -0.16 -3.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 2jnk s ILE 90 CO -0.09 -0.75 0.00 -0.67 -1.23 0.00 0.00 174.94 172.20 2jnk n ASP 91 N 4.45 -1.63 -0.15 3.58 -0.08 -1.26 -4.91 116.55 116.55 2jnk n ASP 91 Ca -0.01 0.37 0.13 0.00 -1.51 0.00 0.00 54.79 53.77 2jnk n ASP 91 Cb 0.41 1.78 0.41 0.00 2.34 0.00 0.00 41.12 46.06 2jnk n ASP 91 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 2jnk n ILE 92 N -2.82 0.00 0.22 5.18 -5.35 -1.26 -3.79 119.36 111.53 2jnk n ILE 92 Ca 0.00 -0.08 0.10 0.00 -0.27 0.00 0.00 62.75 62.50 2jnk n ILE 92 Cb 0.00 0.20 0.52 0.00 -1.74 0.00 0.00 39.64 38.63 2jnk n ILE 92 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2jnk h GLY 93 N 4.96 0.00 0.10 3.28 0.00 -1.91 0.63 103.07 110.13 2jnk h GLY 93 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 2jnk h GLY 93 CO 0.00 0.00 -2.29 1.34 0.00 0.00 0.00 176.54 175.59 2jnk n ASP 94 N -2.33 0.09 -1.89 0.19 -0.08 -1.25 -3.16 116.55 108.13 2jnk n ASP 94 Ca -0.01 0.04 -0.16 0.00 -1.51 0.00 0.00 54.79 53.15 2jnk n ASP 94 Cb 0.30 0.97 0.20 0.00 2.34 0.00 0.00 41.12 44.93 2jnk n ASP 94 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2jnk n LEU 95 N -2.74 5.92 0.00 -2.67 0.00 0.20 -4.26 117.00 113.45 2jnk n LEU 95 Ca -0.29 -3.60 0.00 0.00 0.00 0.00 0.00 56.01 52.12 2jnk n LEU 95 Cb 1.10 -0.77 0.00 0.00 0.00 0.00 0.00 43.42 43.75 2jnk n LEU 95 CO 0.43 1.07 0.00 0.00 0.00 0.00 0.00 177.39 178.89 2jnk n ALA 96 N -1.01 0.00 -0.23 1.96 0.00 -0.15 -4.98 120.51 116.11 2jnk n ALA 96 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2jnk n ALA 96 Cb 1.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.91 2jnk n ALA 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jnk n MET 97 N 0.00 0.00 0.10 0.00 0.00 -1.26 -0.16 117.12 115.81 2jnk n MET 97 Ca 0.00 0.68 -0.10 0.00 0.00 0.00 0.00 57.70 58.28 2jnk n MET 97 Cb 0.00 -1.08 -0.06 0.00 0.00 0.00 0.00 33.22 32.08 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 0.00 0.00 3.17 3.04 -1.86 -0.62 116.25 119.98 2jnk h VAL 98 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2jnk h VAL 98 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.28 2jnk h VAL 98 CO 0.00 0.00 0.09 -1.20 -1.01 0.00 0.00 177.57 175.45 2jnk n SER 99 N -4.22 0.00 0.22 3.17 7.64 -1.09 -2.60 113.62 116.75 2jnk n SER 99 Ca -0.06 0.31 -0.10 0.00 1.01 0.00 0.00 58.87 60.04 2jnk n SER 99 Cb 0.25 -0.31 -0.05 0.00 -1.01 0.00 0.00 64.21 63.10 2jnk n SER 99 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2jnk h LYS 100 N 0.00 -0.60 0.04 1.43 3.11 0.11 -3.38 116.57 117.28 2jnk h LYS 100 Ca 0.00 0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 57.88 2jnk h LYS 100 Cb 0.17 0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.54 2jnk h LYS 100 CO 0.00 -0.40 -0.02 -0.91 -2.81 0.00 0.00 179.45 175.31 2jnk h ASN 101 N -1.13 -0.04 -6.07 4.20 2.35 -1.55 -3.49 115.58 109.85 2jnk h ASN 101 Ca -0.06 -0.65 0.00 0.00 -0.55 0.00 0.00 56.30 55.04 2jnk h ASN 101 Cb 0.48 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.86 2jnk h ASN 101 CO 0.11 0.69 -0.01 -0.38 -1.65 0.00 0.00 177.43 176.18 2jnk n ILE 102 N -4.76 -1.00 -0.26 2.81 2.08 -1.08 -4.14 119.36 113.02 2jnk n ILE 102 Ca -0.08 0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.23 2jnk n ILE 102 Cb 0.34 -2.47 0.00 0.00 -0.75 0.00 0.00 39.64 36.76 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 2.50 0.87 3.84 7.39 0.00 0.24 -4.68 105.19 115.34 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 -2.00 6.68 -0.11 1.61 0.15 -1.26 -4.59 113.70 114.18 2jnk s SER 104 Ca 0.00 0.81 0.14 0.00 0.70 0.00 0.00 55.95 57.60 2jnk s SER 104 Cb 0.00 -2.20 -0.24 0.00 -1.71 0.00 0.00 66.02 61.87 2jnk s SER 104 CO 0.00 0.33 0.40 0.35 1.20 0.00 0.00 173.24 175.53 2jnk n THR 105 N 1.97 1.53 0.00 6.45 -2.24 -1.16 -2.26 114.28 118.56 2jnk n THR 105 Ca -0.15 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 2jnk n THR 105 Cb 0.53 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 2jnk n THR 105 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2jnk n THR 106 N -2.94 0.00 -1.16 4.28 -2.24 -1.26 -3.72 114.28 107.23 2jnk n THR 106 Ca -0.24 0.99 -0.43 0.00 -2.27 0.00 0.00 64.05 62.10 2jnk n THR 106 Cb 1.09 -1.99 -0.06 0.00 -2.10 0.00 0.00 70.33 67.27 2jnk n THR 106 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2jnk n ASN 107 N -0.49 2.52 -0.44 3.42 5.15 -1.26 -4.52 115.26 119.64 2jnk n ASN 107 Ca 0.00 -2.68 0.14 0.00 -0.60 0.00 0.00 54.58 51.44 2jnk n ASN 107 Cb 0.00 -1.12 0.46 0.00 -0.53 0.00 0.00 39.78 38.59 2jnk n ASN 107 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 2jnk n THR 108 N 6.02 0.00 -0.01 -0.44 5.66 -1.24 -4.25 114.28 120.03 2jnk n THR 108 Ca 0.50 -0.23 0.23 0.00 -3.05 0.00 0.00 64.05 61.50 2jnk n THR 108 Cb 0.41 0.53 0.64 0.00 -1.55 0.00 0.00 70.33 70.35 2jnk n THR 108 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 2jnk h SER 109 N 2.16 0.00 0.09 1.09 4.64 -1.89 0.18 113.55 119.82 2jnk h SER 109 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 2jnk h SER 109 Cb 0.53 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2jnk h SER 109 CO 0.00 0.00 -1.01 -0.07 -0.87 0.00 0.00 176.83 174.88 2jnk h LEU 110 N 0.00 0.29 -8.11 5.97 3.38 -1.73 -3.44 115.31 111.66 2jnk h LEU 110 Ca 0.29 -0.86 -0.30 0.00 0.09 0.00 0.00 57.88 57.10 2jnk h LEU 110 Cb 1.72 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 42.30 2jnk h LEU 110 CO -0.00 1.44 1.51 0.47 0.09 0.00 0.00 178.44 181.95 2jnk n ASP 111 N -4.16 -0.25 0.06 -0.43 9.92 0.05 -4.64 116.55 117.11 2jnk n ASP 111 Ca -0.21 -0.66 0.04 0.00 -0.53 0.00 0.00 54.79 53.43 2jnk n ASP 111 Cb 0.78 -0.91 0.21 0.00 -0.64 0.00 0.00 41.12 40.56 2jnk n ASP 111 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jnk n LEU 112 N 9.89 0.20 -0.03 0.64 -0.00 -1.26 0.14 117.00 126.58 2jnk n LEU 112 Ca 0.61 0.56 0.06 0.00 -0.00 0.00 0.00 56.01 57.23 2jnk n LEU 112 Cb 0.21 -0.58 -0.15 0.00 -0.00 0.00 0.00 43.42 42.90 2jnk n LEU 112 CO 0.93 -0.62 -0.83 0.59 -0.00 0.00 0.00 177.39 177.45 2jnk n ASN 113 N -1.75 0.38 -4.12 1.45 5.03 -1.26 -4.02 115.26 110.98 2jnk n ASN 113 Ca -0.01 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.13 2jnk n ASN 113 Cb 0.06 1.69 -0.03 0.00 -1.02 0.00 0.00 39.78 40.49 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 -2.32 -3.13 0.17 3.52 0.00 0.36 -4.64 118.16 112.12 2jnk n LYS 114 Ca -0.10 0.37 0.12 0.00 -0.00 0.00 0.00 58.31 58.71 2jnk n LYS 114 Cb 0.67 -4.79 0.26 0.00 -0.00 0.00 0.00 35.03 31.17 2jnk n LYS 114 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2jnk h ASP 115 N -1.66 0.00 0.00 -5.58 3.58 -1.94 -3.47 116.42 107.35 2jnk h ASP 115 Ca -0.61 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.84 2jnk h ASP 115 Cb 1.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.43 2jnk h ASP 115 CO 0.71 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.69 2jnk n GLY 116 N 1.19 1.88 3.21 -0.78 0.00 -1.26 -5.08 105.19 104.35 2jnk n GLY 116 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.00 -0.16 -0.51 1.61 0.01 -0.96 -2.98 113.70 108.71 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 1.17 -0.03 0.00 0.21 0.00 0.00 66.02 67.37 2jnk s SER 117 CO 0.00 -0.03 2.01 -0.63 0.41 0.00 0.00 173.24 175.00 2jnk s ILE 118 N 2.24 3.27 0.00 1.44 -1.09 -1.20 -4.37 121.20 121.49 2jnk s ILE 118 Ca -0.01 0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.60 2jnk s ILE 118 Cb -0.03 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 37.26 2jnk s ILE 118 CO -0.15 -0.54 0.00 -0.67 -1.23 0.00 0.00 174.94 172.35 2jnk n ASP 119 N 13.13 0.00 0.06 3.58 2.03 -1.26 0.80 116.55 134.89 2jnk n ASP 119 Ca 0.26 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.53 2jnk n ASP 119 Cb 0.52 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 41.11 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 0.34 -0.73 -0.67 5.08 -1.94 -3.01 114.58 113.65 2jnk h GLU 120 Ca 0.00 -0.16 0.21 0.00 -1.00 0.00 0.00 59.36 58.41 2jnk h GLU 120 Cb 0.00 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2jnk h GLU 120 CO 0.00 0.68 0.60 1.88 -1.00 0.00 0.00 179.01 181.18 2jnk h TYR 121 N 0.29 0.00 0.00 4.33 0.05 -1.91 0.71 116.97 120.43 2jnk h TYR 121 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 2jnk h TYR 121 Cb 0.82 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.56 2jnk h TYR 121 CO 0.02 0.00 0.00 -0.85 -1.05 0.00 0.00 178.16 176.28 2jnk n GLU 122 N -4.03 0.00 -0.34 4.88 0.00 -1.14 -4.37 120.64 115.65 2jnk n GLU 122 Ca 0.15 0.04 0.36 0.00 0.00 0.00 0.00 57.16 57.71 2jnk n GLU 122 Cb 0.87 -0.30 0.67 0.00 0.00 0.00 0.00 31.44 32.68 2jnk n GLU 122 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.13 176.29 2jnk h ILE 123 N 0.00 0.15 -1.89 3.84 -2.65 -1.61 -1.35 117.51 114.00 2jnk h ILE 123 Ca 0.00 0.00 0.56 0.00 1.03 0.00 0.00 64.86 66.45 2jnk h ILE 123 Cb 0.00 0.19 -0.09 0.00 -2.05 0.00 0.00 36.82 34.88 2jnk h ILE 123 CO 0.00 0.00 1.35 0.28 0.03 0.00 0.00 178.15 179.81 2jnk h SER 124 N 0.00 0.03 0.03 2.16 0.02 -1.07 1.25 113.55 115.97 2jnk h SER 124 Ca 0.59 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.56 2jnk h SER 124 Cb 2.75 0.02 0.00 0.00 0.14 0.00 0.00 62.40 65.31 2jnk h SER 124 CO -0.01 -0.03 -0.02 0.15 -1.14 0.00 0.00 176.83 175.79 2jnk h PHE 125 N 0.00 -0.04 0.00 3.45 3.57 -1.48 -3.35 116.94 119.10 2jnk h PHE 125 Ca 0.93 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.43 2jnk h PHE 125 Cb 3.64 0.01 0.00 0.00 2.79 0.00 0.00 35.95 42.39 2jnk h PHE 125 CO -0.00 -0.02 0.00 -0.89 -2.23 0.00 0.00 178.31 175.16 2jnk n ILE 126 N -2.65 1.04 -0.15 1.41 5.41 -0.54 -2.63 119.36 121.26 2jnk n ILE 126 Ca -0.01 0.36 -0.03 0.00 1.00 0.00 0.00 62.75 64.07 2jnk n ILE 126 Cb 0.02 -1.26 0.06 0.00 -0.71 0.00 0.00 39.64 37.74 2jnk n ILE 126 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 2jnk h ASN 127 N 0.00 0.17 0.06 4.38 -0.00 0.14 -1.21 115.58 119.11 2jnk h ASN 127 Ca 0.00 0.06 -0.35 0.00 -0.00 0.00 0.00 56.30 56.01 2jnk h ASN 127 Cb 0.23 0.05 -0.04 0.00 -0.00 0.00 0.00 38.32 38.56 2jnk h ASN 127 CO 0.00 0.12 -1.96 0.00 -0.00 0.00 0.00 177.43 175.59 2jnk n HIS 128 N -5.01 0.85 -0.17 0.67 1.44 -1.16 -4.14 115.22 107.70 2jnk n HIS 128 Ca 0.05 0.23 0.29 0.00 -2.01 0.00 0.00 57.72 56.28 2jnk n HIS 128 Cb 0.19 -1.10 0.72 0.00 0.12 0.00 0.00 29.99 29.92 2jnk n HIS 128 CO 0.00 0.00 0.00 -0.09 -2.81 0.00 0.00 176.34 173.44 2jnk h ARG 129 N -0.31 0.00 0.00 -1.40 9.65 -1.51 0.57 114.38 121.38 2jnk h ARG 129 Ca -0.46 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 2jnk h ARG 129 Cb 1.79 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.37 2jnk h ARG 129 CO -0.07 0.00 0.00 -0.89 2.80 0.00 0.00 179.97 181.81 2jnk n ILE 130 N -4.02 0.00 0.19 1.20 5.41 -0.46 -3.00 119.36 118.68 2jnk n ILE 130 Ca 0.19 1.41 0.04 0.00 1.00 0.00 0.00 62.75 65.39 2jnk n ILE 130 Cb 1.03 -2.31 0.45 0.00 -0.71 0.00 0.00 39.64 38.10 2jnk n ILE 130 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2jnk h LEU 131 N 0.00 0.06 -5.49 1.39 4.07 -1.66 -3.29 115.31 110.40 2jnk h LEU 131 Ca 0.00 -0.01 -0.59 0.00 0.08 0.00 0.00 57.88 57.35 2jnk h LEU 131 Cb 0.00 -0.02 0.02 0.00 1.08 0.00 0.00 40.66 41.74 2jnk h LEU 131 CO 0.00 0.26 3.19 0.59 -1.08 0.00 0.00 178.44 181.40 2jnk n ASN 132 N -4.28 6.00 -0.87 -0.43 4.13 0.15 -4.12 115.26 115.84 2jnk n ASN 132 Ca -0.02 -2.56 0.04 0.00 1.68 0.00 0.00 54.58 53.71 2jnk n ASN 132 Cb 0.27 -1.40 0.06 0.00 -1.54 0.00 0.00 39.78 37.17 2jnk n ASN 132 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2jnk n LEU 133 N 4.71 1.10 -2.44 3.41 4.77 -1.24 -4.79 117.00 122.51 2jnk n LEU 133 Ca 0.61 -2.10 -0.02 0.00 -0.03 0.00 0.00 56.01 54.47 2jnk n LEU 133 Cb 0.25 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 2jnk n LEU 133 CO 0.84 0.58 -0.51 1.21 -1.33 0.00 0.00 177.39 178.19 2jnk n GLU 134 N -0.14 -4.64 -1.03 3.23 4.07 -1.26 -5.02 120.64 115.85 2jnk n GLU 134 Ca 0.07 3.41 -0.14 0.00 -0.06 0.00 0.00 57.16 60.44 2jnk n GLU 134 Cb 0.87 -4.51 0.10 0.00 -0.06 0.00 0.00 31.44 27.84 2jnk n GLU 134 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2jnk n HIS 135 N 1.85 -3.89 -3.88 4.31 8.25 -1.26 -5.11 115.22 115.49 2jnk n HIS 135 Ca -0.14 -0.62 -0.02 0.00 -0.26 0.00 0.00 57.72 56.68 2jnk n HIS 135 Cb 0.21 -0.49 0.01 0.00 1.12 0.00 0.00 29.99 30.85 2jnk n HIS 135 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jnk s HIS 136 N -2.31 0.04 0.00 4.41 2.46 -1.26 -5.04 115.29 113.59 2jnk s HIS 136 Ca 0.37 -0.36 0.00 0.00 0.47 0.00 0.00 55.06 55.54 2jnk s HIS 136 Cb -0.01 0.66 0.00 0.00 -0.13 0.00 0.00 32.58 33.10 2jnk s HIS 136 CO 0.26 -0.75 0.00 0.72 -2.47 0.00 0.00 174.74 172.49 2jnk n HIS 137 N -0.71 0.00 -2.65 3.88 8.25 -1.26 -4.83 115.22 117.90 2jnk n HIS 137 Ca -0.02 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.39 2jnk n HIS 137 Cb 0.60 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.66 2jnk n HIS 137 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jnk n HIS 138 N 0.00 -4.14 -0.05 4.41 -0.00 -1.26 -5.03 115.22 109.15 2jnk n HIS 138 Ca 0.00 2.37 -0.09 0.00 -0.00 0.00 0.00 57.72 59.99 2jnk n HIS 138 Cb 0.00 -3.72 -0.03 0.00 -0.00 0.00 0.00 29.99 26.24 2jnk n HIS 138 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jnk n HIS 139 N 1.70 0.00 0.03 1.57 -0.00 -1.26 -5.32 115.22 111.95 2jnk n HIS 139 Ca -0.36 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.82 2jnk n HIS 139 Cb 0.57 -0.40 0.02 0.00 -0.12 0.00 0.00 29.99 30.05 2jnk n HIS 139 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38