#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 -0.38 0.47 6.12 1.01 -1.26 -5.02 116.67 117.61 2jnk s ASP 2 Ca 0.00 -0.38 0.21 0.00 0.71 0.00 0.00 52.55 53.09 2jnk s ASP 2 Cb 0.00 0.67 1.17 0.00 1.01 0.00 0.00 42.92 45.78 2jnk s ASP 2 CO 0.00 -1.19 2.00 0.07 0.21 0.00 0.00 175.17 176.26 2jnk h LYS 3 N 2.01 0.00 -1.17 8.23 2.10 -1.90 -2.64 116.57 123.21 2jnk h LYS 3 Ca -0.25 0.00 0.33 0.00 -2.00 0.00 0.00 60.65 58.73 2jnk h LYS 3 Cb 1.27 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.54 2jnk h LYS 3 CO 0.29 0.18 0.81 1.15 -2.00 0.00 0.00 179.45 179.89 2jnk h THR 4 N 0.00 0.42 -0.10 0.07 2.02 -1.94 0.82 112.91 114.19 2jnk h THR 4 Ca -0.00 -0.04 0.03 0.00 0.77 0.00 0.00 66.41 67.17 2jnk h THR 4 Cb 0.39 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 2jnk h THR 4 CO 0.02 0.02 0.14 0.78 0.37 0.00 0.00 175.52 176.85 2jnk h ASN 5 N 0.11 0.00 0.00 4.18 -0.26 -1.89 -1.11 115.58 116.61 2jnk h ASN 5 Ca 0.59 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.33 2jnk h ASN 5 Cb 2.11 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.37 2jnk h ASN 5 CO -0.11 0.00 -0.19 -0.07 -1.06 0.00 0.00 177.43 176.00 2jnk h LEU 6 N 0.00 0.00 -1.65 1.61 4.07 0.45 -2.42 115.31 117.37 2jnk h LEU 6 Ca 0.05 0.00 0.10 0.00 0.08 0.00 0.00 57.88 58.11 2jnk h LEU 6 Cb 0.33 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 2jnk h LEU 6 CO -0.00 0.54 0.58 1.23 -1.08 0.00 0.00 178.44 179.71 2jnk h GLY 7 N -0.89 0.00 0.48 0.83 0.00 -1.46 2.12 103.07 104.14 2jnk h GLY 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jnk h GLY 7 CO 0.00 0.00 -1.41 -1.84 0.00 0.00 0.00 176.54 173.29 2jnk n GLU 8 N -3.26 0.54 -0.09 4.80 -0.00 -0.44 -2.72 120.64 119.48 2jnk n GLU 8 Ca 0.06 -0.04 -0.07 0.00 -0.00 0.00 0.00 57.16 57.11 2jnk n GLU 8 Cb 0.72 -1.64 -0.16 0.00 -0.00 0.00 0.00 31.44 30.36 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 -2.32 0.00 0.07 -1.84 4.77 0.33 -4.36 117.00 113.64 2jnk n LEU 9 Ca -0.01 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.79 2jnk n LEU 9 Cb 0.53 0.42 -0.14 0.00 -2.33 0.00 0.00 43.42 41.90 2jnk n LEU 9 CO 0.43 0.42 -0.35 0.16 -1.33 0.00 0.00 177.39 176.72 2jnk h ILE 10 N 0.00 1.13 -0.67 -0.08 3.07 0.27 -2.78 117.51 118.46 2jnk h ILE 10 Ca -0.47 -2.76 0.14 0.00 1.55 0.00 0.00 64.86 63.33 2jnk h ILE 10 Cb 2.06 2.77 -0.12 0.00 -0.27 0.00 0.00 36.82 41.26 2jnk h ILE 10 CO 0.03 0.82 -0.05 0.78 -1.05 0.00 0.00 178.15 178.68 2jnk h ASN 11 N 0.08 -0.39 0.49 2.16 2.35 -1.64 1.48 115.58 120.10 2jnk h ASN 11 Ca -0.25 0.18 -0.16 0.00 -0.55 0.00 0.00 56.30 55.51 2jnk h ASN 11 Cb 2.03 0.33 -0.01 0.00 0.05 0.00 0.00 38.32 40.72 2jnk h ASN 11 CO 0.17 -0.16 -0.71 0.06 -1.65 0.00 0.00 177.43 175.13 2jnk h GLN 12 N 0.08 0.19 0.13 0.81 3.07 -1.76 -3.11 115.11 114.51 2jnk h GLN 12 Ca 0.35 -0.16 -0.01 0.00 0.09 0.00 0.00 58.65 58.92 2jnk h GLN 12 Cb 0.57 0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.17 2jnk h GLN 12 CO -0.61 0.82 -0.06 0.78 0.09 0.00 0.00 178.83 179.85 2jnk h GLY 13 N 1.69 -0.18 0.33 0.06 0.00 0.17 0.93 103.07 106.07 2jnk h GLY 13 Ca -0.02 0.07 0.23 0.00 0.00 0.00 0.00 47.33 47.61 2jnk h GLY 13 CO 0.11 -0.06 0.60 0.50 0.00 0.00 0.00 176.54 177.68 2jnk h LYS 14 N -0.51 0.10 0.00 4.80 6.56 0.17 0.46 116.57 128.15 2jnk h LYS 14 Ca -0.02 -0.01 -0.18 0.00 -1.06 0.00 0.00 60.65 59.39 2jnk h LYS 14 Cb 0.41 -0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 32.01 2jnk h LYS 14 CO 0.03 0.07 -1.45 0.43 -2.06 0.00 0.00 179.45 176.46 2jnk n SER 15 N -4.35 0.84 0.18 0.86 7.64 -1.06 -3.22 113.62 114.51 2jnk n SER 15 Ca 0.18 0.37 -0.07 0.00 1.01 0.00 0.00 58.87 60.36 2jnk n SER 15 Cb 0.85 0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 64.19 2jnk n SER 15 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2jnk h LEU 16 N 0.00 -0.39 -0.63 -3.43 6.46 0.56 0.40 115.31 118.28 2jnk h LEU 16 Ca -0.18 0.01 0.11 0.00 -0.12 0.00 0.00 57.88 57.71 2jnk h LEU 16 Cb 1.62 0.10 -0.09 0.00 -0.73 0.00 0.00 40.66 41.56 2jnk h LEU 16 CO 0.05 -0.25 0.17 -0.07 -0.62 0.00 0.00 178.44 177.72 2jnk h LEU 17 N -0.53 0.08 -1.26 2.25 3.38 -1.35 1.44 115.31 119.33 2jnk h LEU 17 Ca -0.05 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2jnk h LEU 17 Cb 0.35 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2jnk h LEU 17 CO 0.08 0.04 0.18 0.44 0.09 0.00 0.00 178.44 179.27 2jnk h ASP 18 N 0.31 0.63 0.97 -0.43 3.32 -1.54 -2.19 116.42 117.49 2jnk h ASP 18 Ca 0.33 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.30 2jnk h ASP 18 Cb 0.48 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2jnk h ASP 18 CO -0.39 0.58 -0.72 -0.33 -1.72 0.00 0.00 179.24 176.66 2jnk h GLU 19 N 0.68 0.00 -4.18 3.56 4.39 0.17 -3.42 114.58 115.78 2jnk h GLU 19 Ca 0.16 0.00 -0.73 0.00 0.34 0.00 0.00 59.36 59.13 2jnk h GLU 19 Cb 0.16 0.00 -0.29 0.00 -0.10 0.00 0.00 28.75 28.52 2jnk h GLU 19 CO -0.01 0.00 -0.33 -1.54 -1.16 0.00 0.00 179.01 175.97 2jnk s SER 20 N -4.72 5.82 0.02 1.42 1.04 0.48 -4.96 113.70 112.79 2jnk s SER 20 Ca 0.04 -2.04 -0.12 0.00 0.48 0.00 0.00 55.95 54.31 2jnk s SER 20 Cb 0.12 -2.04 -0.06 0.00 0.10 0.00 0.00 66.02 64.14 2jnk s SER 20 CO 0.74 -0.68 0.38 0.54 0.98 0.00 0.00 173.24 175.21 2jnk s VAL 21 N 1.18 5.09 -0.47 5.02 0.11 -1.25 -4.70 120.40 125.38 2jnk s VAL 21 Ca 0.07 0.65 -0.29 0.00 -2.93 0.00 0.00 61.98 59.49 2jnk s VAL 21 Cb -0.25 -3.66 0.02 0.00 -1.53 0.00 0.00 36.38 30.96 2jnk s VAL 21 CO -0.01 0.48 1.32 -1.83 -3.33 0.00 0.00 175.10 171.73 2jnk s GLU 22 N -1.37 3.57 0.00 1.54 4.04 -1.26 -2.01 118.70 123.22 2jnk s GLU 22 Ca 0.26 0.71 0.00 0.00 0.04 0.00 0.00 54.97 55.98 2jnk s GLU 22 Cb -0.15 -4.01 0.00 0.00 0.02 0.00 0.00 34.13 29.99 2jnk s GLU 22 CO 0.14 -1.58 0.00 0.41 -1.84 0.00 0.00 175.26 172.39 2jnk n GLY 23 N 5.05 0.48 0.00 -3.83 0.00 1.05 -4.78 105.19 103.15 2jnk n GLY 23 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.02 0.00 -3.67 1.61 1.16 -1.23 -4.48 117.46 110.83 2jnk n PHE 24 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.57 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 -0.80 -1.87 0.00 0.00 176.76 174.09 2jnk s ASN 25 N 0.00 -0.13 -0.44 5.98 -0.87 -0.96 -4.37 114.94 114.15 2jnk s ASN 25 Ca 0.00 -0.24 -0.33 0.00 -1.57 0.00 0.00 52.86 50.72 2jnk s ASN 25 Cb 0.00 0.32 -0.12 0.00 -0.02 0.00 0.00 41.25 41.43 2jnk s ASN 25 CO 0.00 -0.58 2.29 0.55 -2.57 0.00 0.00 177.10 176.79 2jnk n VAL 26 N -0.45 0.13 0.00 1.60 3.14 -1.26 0.63 118.33 122.12 2jnk n VAL 26 Ca -0.07 -0.33 0.00 0.00 -2.96 0.00 0.00 64.34 60.98 2jnk n VAL 26 Cb 0.62 -1.74 0.00 0.00 -1.06 0.00 0.00 33.84 31.65 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 6.42 1.34 3.06 7.55 0.00 -0.41 -5.03 105.19 118.13 2jnk n GLY 27 Ca 0.43 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.00 1.62 0.57 1.61 8.01 0.20 -3.97 118.70 126.74 2jnk s GLU 28 Ca 0.00 -0.46 0.01 0.00 0.01 0.00 0.00 54.97 54.53 2jnk s GLU 28 Cb 0.00 -1.38 0.04 0.00 -4.31 0.00 0.00 34.13 28.48 2jnk s GLU 28 CO 0.00 0.11 0.80 1.52 0.01 0.00 0.00 175.26 177.70 2jnk s TYR 29 N 0.38 2.75 -0.00 1.61 1.13 -0.85 -2.27 117.35 120.10 2jnk s TYR 29 Ca -0.09 -0.03 -0.01 0.00 -1.41 0.00 0.00 57.07 55.53 2jnk s TYR 29 Cb -0.13 -2.78 -0.00 0.00 -1.10 0.00 0.00 41.96 37.95 2jnk s TYR 29 CO 0.03 -0.95 0.41 1.25 -2.51 0.00 0.00 175.55 173.78 2jnk h HIS 30 N 0.01 -0.03 -1.19 -3.49 -0.00 -1.79 3.15 115.15 111.81 2jnk h HIS 30 Ca -0.42 -0.00 0.18 0.00 -0.00 0.00 0.00 60.37 60.14 2jnk h HIS 30 Cb 1.30 0.01 -0.29 0.00 -0.00 0.00 0.00 27.41 28.43 2jnk h HIS 30 CO 0.33 -0.02 0.82 0.21 -0.00 0.00 0.00 177.93 179.27 2jnk s LYS 31 N -1.89 0.18 0.00 5.26 2.20 -1.26 -4.32 119.74 119.92 2jnk s LYS 31 Ca -0.00 0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.72 2jnk s LYS 31 Cb 0.00 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.41 2jnk s LYS 31 CO 0.01 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.37 2jnk n GLY 32 N 1.13 2.94 0.45 5.54 0.00 -1.26 -4.95 105.19 109.04 2jnk n GLY 32 Ca -0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.00 -0.33 4.61 0.00 -1.94 -3.26 119.26 117.33 2jnk h ALA 33 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2jnk h ALA 33 Cb 0.00 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2jnk h ALA 33 CO 0.00 -1.10 0.00 1.63 0.00 0.00 0.00 179.25 179.78 2jnk n LYS 34 N -5.54 0.00 -0.02 0.00 4.76 -1.26 -2.19 118.16 113.92 2jnk n LYS 34 Ca -0.12 0.69 -0.00 0.00 -2.87 0.00 0.00 58.31 56.01 2jnk n LYS 34 Cb 0.43 -1.07 -0.00 0.00 -1.84 0.00 0.00 35.03 32.55 2jnk n LYS 34 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2jnk n ASP 35 N -2.47 -0.04 0.00 4.39 2.03 -1.23 0.18 116.55 119.40 2jnk n ASP 35 Ca 0.00 0.61 0.00 0.00 0.52 0.00 0.00 54.79 55.92 2jnk n ASP 35 Cb 0.00 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 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 -1.01 -2.50 0.21 0.27 0.00 -0.93 0.48 105.19 101.71 2jnk n GLY 36 Ca 0.00 0.48 0.15 0.00 0.00 0.00 0.00 46.02 46.65 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 0.00 0.99 5.85 -1.21 -2.50 115.31 118.44 2jnk h LEU 37 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2jnk h LEU 37 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 2jnk h LEU 37 CO 0.00 0.00 -0.42 0.74 -0.34 0.00 0.00 178.44 178.42 2jnk h THR 38 N 0.00 0.14 -1.47 1.05 2.02 1.27 -2.60 112.91 113.32 2jnk h THR 38 Ca 0.00 -1.15 0.45 0.00 0.77 0.00 0.00 66.41 66.48 2jnk h THR 38 Cb 0.20 0.31 -0.10 0.00 -1.74 0.00 0.00 68.15 66.82 2jnk h THR 38 CO 0.00 0.05 1.01 0.58 0.37 0.00 0.00 175.52 177.52 2jnk h VAL 39 N -1.00 0.17 0.20 3.16 2.07 1.08 3.61 116.25 125.54 2jnk h VAL 39 Ca -0.03 -0.02 -0.31 0.00 0.82 0.00 0.00 66.70 67.15 2jnk h VAL 39 Cb 0.46 0.10 0.03 0.00 -1.52 0.00 0.00 31.29 30.35 2jnk h VAL 39 CO -0.02 0.01 -1.37 1.05 0.02 0.00 0.00 177.57 177.27 2jnk h GLU 40 N 0.07 0.48 0.61 1.57 -0.00 -1.58 -1.72 114.58 114.00 2jnk h GLU 40 Ca 0.79 -0.78 -0.03 0.00 -0.00 0.00 0.00 59.36 59.34 2jnk h GLU 40 Cb 2.79 0.28 0.01 0.00 -0.00 0.00 0.00 28.75 31.82 2jnk h GLU 40 CO -0.21 1.37 -0.29 0.82 -0.00 0.00 0.00 179.01 180.69 2jnk h ILE 41 N 0.15 0.00 -0.99 -1.06 2.04 0.66 5.92 117.51 124.22 2jnk h ILE 41 Ca -0.21 -0.15 0.25 0.00 1.00 0.00 0.00 64.86 65.75 2jnk h ILE 41 Cb 2.07 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 38.02 2jnk h ILE 41 CO 0.25 0.00 0.57 0.78 0.00 0.00 0.00 178.15 179.75 2jnk h ASN 42 N -0.97 0.61 1.59 1.72 2.35 0.13 0.89 115.58 121.91 2jnk h ASN 42 Ca -0.08 0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 2jnk h ASN 42 Cb 0.62 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 2jnk h ASN 42 CO 0.14 0.06 -0.42 0.50 -1.65 0.00 0.00 177.43 176.06 2jnk h LYS 43 N 0.53 0.00 0.00 0.81 1.63 -1.00 -3.28 116.57 115.26 2jnk h LYS 43 Ca 0.64 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.44 2jnk h LYS 43 Cb 1.25 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 2jnk h LYS 43 CO -0.50 0.21 -0.11 0.00 -3.45 0.00 0.00 179.45 175.60 2jnk h ALA 44 N 1.77 0.00 -0.95 5.00 0.00 1.89 -3.34 119.26 123.63 2jnk h ALA 44 Ca -0.02 -0.12 0.29 0.00 0.00 0.00 0.00 54.91 55.06 2jnk h ALA 44 Cb 1.19 0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.94 2jnk h ALA 44 CO 0.03 0.11 0.40 0.93 0.00 0.00 0.00 179.25 180.72 2jnk h GLU 45 N -0.81 0.23 -0.21 0.00 5.08 -0.40 2.15 114.58 120.62 2jnk h GLU 45 Ca 0.00 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2jnk h GLU 45 Cb 0.11 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2jnk h GLU 45 CO 0.00 0.15 0.28 1.05 -1.00 0.00 0.00 179.01 179.49 2jnk h GLU 46 N 0.24 0.00 0.05 2.33 4.11 -1.72 -0.61 114.58 118.98 2jnk h GLU 46 Ca 0.66 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.76 2jnk h GLU 46 Cb 1.45 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.66 2jnk h GLU 46 CO -0.66 0.00 -1.81 0.28 0.07 0.00 0.00 179.01 176.90 2jnk n VAL 47 N -3.62 1.63 -0.24 -1.06 0.31 0.71 -2.67 118.33 113.37 2jnk n VAL 47 Ca 0.02 -0.36 0.04 0.00 -0.01 0.00 0.00 64.34 64.03 2jnk n VAL 47 Cb 0.40 -1.85 0.16 0.00 -0.91 0.00 0.00 33.84 31.64 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 -0.50 0.49 -0.02 3.52 3.57 -0.02 0.66 116.94 124.64 2jnk h PHE 48 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 2jnk h PHE 48 Cb 1.68 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.31 2jnk h PHE 48 CO 0.06 0.08 -0.00 0.09 -2.23 0.00 0.00 178.31 176.31 2jnk n ASN 49 N -4.99 2.06 -4.85 0.41 3.02 -0.33 -4.93 115.26 105.66 2jnk n ASN 49 Ca 0.13 -1.68 -0.30 0.00 -0.03 0.00 0.00 54.58 52.69 2jnk n ASN 49 Cb 0.37 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.60 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 -2.01 2.63 -0.10 3.52 2.20 0.22 -4.99 119.74 121.22 2jnk s LYS 50 Ca 0.34 0.60 0.18 0.00 -0.36 0.00 0.00 55.97 56.73 2jnk s LYS 50 Cb 0.21 -1.98 -0.25 0.00 -1.51 0.00 0.00 37.83 34.30 2jnk s LYS 50 CO 0.32 -1.22 0.36 0.39 -0.36 0.00 0.00 175.35 174.84 2jnk n GLU 51 N -3.16 0.66 -0.26 4.03 1.02 -1.26 -3.96 120.64 117.72 2jnk n GLU 51 Ca 0.07 0.02 0.04 0.00 -0.02 0.00 0.00 57.16 57.26 2jnk n GLU 51 Cb 0.56 -1.60 0.15 0.00 -0.02 0.00 0.00 31.44 30.54 2jnk n GLU 51 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2jnk n ASP 52 N -2.69 2.29 -2.26 1.62 9.92 -1.26 -4.36 116.55 119.81 2jnk n ASP 52 Ca -0.21 -2.19 -0.13 0.00 -0.53 0.00 0.00 54.79 51.73 2jnk n ASP 52 Cb 0.95 -0.39 -0.12 0.00 -0.64 0.00 0.00 41.12 40.92 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 0.32 5.45 -1.93 2.24 0.00 -1.25 -3.23 120.51 122.11 2jnk n ALA 53 Ca 0.11 -1.66 0.00 0.00 0.00 0.00 0.00 53.44 51.89 2jnk n ALA 53 Cb 0.45 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.47 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 2.78 0.00 0.76 0.00 -2.24 -1.26 -4.21 114.28 110.11 2jnk n THR 54 Ca 0.39 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.30 2jnk n THR 54 Cb 0.66 0.00 0.50 0.00 -2.10 0.00 0.00 70.33 69.39 2jnk n THR 54 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2jnk n GLU 55 N 0.00 0.13 -0.13 -0.78 2.13 -1.26 -3.10 120.64 117.63 2jnk n GLU 55 Ca 0.00 0.14 -0.26 0.00 0.66 0.00 0.00 57.16 57.70 2jnk n GLU 55 Cb 0.00 -1.66 -0.10 0.00 0.27 0.00 0.00 31.44 29.95 2jnk n GLU 55 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2jnk n GLU 56 N -1.89 0.58 -0.05 5.31 0.28 -1.26 -4.58 120.64 119.03 2jnk n GLU 56 Ca 0.06 0.33 -0.14 0.00 -0.16 0.00 0.00 57.16 57.25 2jnk n GLU 56 Cb 0.36 -1.55 -0.12 0.00 1.43 0.00 0.00 31.44 31.56 2jnk n GLU 56 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2jnk h GLU 57 N -1.00 0.03 -0.17 3.44 4.39 -1.69 -3.13 114.58 116.45 2jnk h GLU 57 Ca -0.57 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.12 2jnk h GLU 57 Cb 1.49 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 30.10 2jnk h GLU 57 CO -0.35 0.93 -0.43 0.82 -1.16 0.00 0.00 179.01 178.82 2jnk h ILE 58 N -0.85 0.00 -0.12 3.13 2.04 -1.75 2.07 117.51 122.04 2jnk h ILE 58 Ca -0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.88 2jnk h ILE 58 Cb 0.95 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2jnk h ILE 58 CO 0.01 0.00 0.15 0.78 0.00 0.00 0.00 178.15 179.10 2jnk h ASN 59 N -0.42 0.00 0.81 1.72 2.35 -1.77 1.72 115.58 119.99 2jnk h ASN 59 Ca 0.03 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.55 2jnk h ASN 59 Cb 0.52 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 2jnk h ASN 59 CO -0.38 0.00 -1.10 -0.07 -1.65 0.00 0.00 177.43 174.23 2jnk h LEU 60 N 0.00 0.21 0.00 1.61 3.38 0.11 -3.30 115.31 117.32 2jnk h LEU 60 Ca 0.06 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2jnk h LEU 60 Cb 0.36 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2jnk h LEU 60 CO -0.00 1.16 -1.47 0.00 0.09 0.00 0.00 178.44 178.23 2jnk n ALA 61 N -2.44 3.10 0.08 1.53 0.00 0.65 -4.28 120.51 119.14 2jnk n ALA 61 Ca -0.04 -0.44 -0.04 0.00 0.00 0.00 0.00 53.44 52.92 2jnk n ALA 61 Cb 0.97 -0.88 -0.02 0.00 0.00 0.00 0.00 19.45 19.53 2jnk n ALA 61 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2jnk h LYS 62 N 0.00 -0.22 -0.15 0.00 1.57 0.23 -2.04 116.57 115.95 2jnk h LYS 62 Ca 0.00 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2jnk h LYS 62 Cb 0.88 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 2jnk h LYS 62 CO 0.00 -0.15 0.38 1.49 -0.57 0.00 0.00 179.45 180.61 2jnk h GLU 63 N -0.36 0.00 0.00 3.15 4.57 -1.80 0.98 114.58 121.12 2jnk h GLU 63 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2jnk h GLU 63 Cb 0.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2jnk h GLU 63 CO 0.04 0.00 -0.56 0.43 -1.18 0.00 0.00 179.01 177.74 2jnk n SER 64 N -3.19 0.55 -0.14 1.04 7.64 -1.21 -4.03 113.62 114.28 2jnk n SER 64 Ca 0.01 -0.13 -0.28 0.00 1.01 0.00 0.00 58.87 59.49 2jnk n SER 64 Cb 0.48 0.25 -0.09 0.00 -1.01 0.00 0.00 64.21 63.83 2jnk n SER 64 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2jnk n LEU 65 N -1.70 1.96 0.01 -3.43 7.94 0.32 -3.92 117.00 118.18 2jnk n LEU 65 Ca 0.05 0.34 -0.02 0.00 -1.11 0.00 0.00 56.01 55.26 2jnk n LEU 65 Cb 0.37 -0.81 -0.01 0.00 0.53 0.00 0.00 43.42 43.50 2jnk n LEU 65 CO 0.36 0.50 0.50 -0.33 -1.11 0.00 0.00 177.39 177.30 2jnk h GLU 66 N -1.00 -0.10 0.00 1.96 5.08 -1.28 0.11 114.58 119.36 2jnk h GLU 66 Ca -0.64 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 2jnk h GLU 66 Cb 1.56 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.83 2jnk h GLU 66 CO -0.39 -0.06 0.00 0.41 -1.00 0.00 0.00 179.01 177.97 2jnk n GLY 67 N -1.07 -0.45 0.15 -3.84 0.00 -1.26 -1.85 105.19 96.88 2jnk n GLY 67 Ca -0.01 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 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 2.70 -0.11 0.15 4.61 0.00 -0.95 -3.12 119.26 122.54 2jnk h ALA 68 Ca 0.00 -0.91 -0.26 0.00 0.00 0.00 0.00 54.91 53.73 2jnk h ALA 68 Cb 0.03 0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2jnk h ALA 68 CO 0.00 0.75 -1.28 -0.84 0.00 0.00 0.00 179.25 177.88 2jnk h ILE 69 N 0.14 1.19 -0.27 0.00 3.07 -0.66 -3.20 117.51 117.78 2jnk h ILE 69 Ca -0.27 -2.48 0.08 0.00 1.55 0.00 0.00 64.86 63.73 2jnk h ILE 69 Cb 2.17 2.90 -0.01 0.00 -0.27 0.00 0.00 36.82 41.60 2jnk h ILE 69 CO 0.26 0.73 0.51 0.00 -1.05 0.00 0.00 178.15 178.60 2jnk h ALA 70 N 0.03 1.87 0.03 0.16 0.00 -1.50 0.19 119.26 120.03 2jnk h ALA 70 Ca -0.26 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.44 2jnk h ALA 70 Cb 1.80 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 2jnk h ALA 70 CO 0.12 -0.65 -1.09 0.07 0.00 0.00 0.00 179.25 177.70 2jnk h ARG 71 N 0.00 0.06 -0.58 0.00 -0.00 -1.60 -3.37 114.38 108.89 2jnk h ARG 71 Ca 0.13 -0.11 -0.02 0.00 -0.00 0.00 0.00 59.98 59.98 2jnk h ARG 71 Cb 1.14 0.04 -0.03 0.00 -0.00 0.00 0.00 29.97 31.12 2jnk h ARG 71 CO -0.00 1.05 0.30 0.35 -0.00 0.00 0.00 179.97 181.66 2jnk h PHE 72 N -0.81 0.81 -1.17 4.08 3.04 -1.17 -2.24 116.94 119.49 2jnk h PHE 72 Ca -0.28 -0.03 0.34 0.00 3.98 0.00 0.00 57.97 61.98 2jnk h PHE 72 Cb 1.38 -0.26 -0.05 0.00 2.56 0.00 0.00 35.95 39.58 2jnk h PHE 72 CO 0.14 0.61 0.96 -0.91 -2.02 0.00 0.00 178.31 177.08 2jnk h ASN 73 N 0.78 0.00 -1.23 0.41 2.35 -0.88 0.48 115.58 117.49 2jnk h ASN 73 Ca 0.20 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 55.29 2jnk h ASN 73 Cb 0.09 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 38.12 2jnk h ASN 73 CO -0.03 0.00 0.30 -1.20 -1.65 0.00 0.00 177.43 174.85 2jnk n SER 74 N -3.88 6.61 0.00 5.81 7.64 -0.84 -4.46 113.62 124.49 2jnk n SER 74 Ca 0.26 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.35 2jnk n SER 74 Cb 1.34 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 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 -0.73 0.13 -2.11 -3.43 4.77 0.17 -3.50 117.00 112.30 2jnk n LEU 75 Ca 0.53 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.40 2jnk n LEU 75 Cb 0.64 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.59 2jnk n LEU 75 CO 0.58 0.02 1.52 0.00 -1.33 0.00 0.00 177.39 178.17 2jnk n LEU 76 N -1.46 4.60 -3.50 2.23 -0.00 -1.25 -4.05 117.00 113.57 2jnk n LEU 76 Ca 0.00 -2.84 -0.22 0.00 -0.00 0.00 0.00 56.01 52.95 2jnk n LEU 76 Cb 0.30 -1.23 0.05 0.00 -0.00 0.00 0.00 43.42 42.55 2jnk n LEU 76 CO 0.00 1.40 -0.02 -0.38 -0.00 0.00 0.00 177.39 178.39 2jnk n ILE 77 N 2.61 -6.92 0.00 1.47 2.08 -1.24 -1.28 119.36 116.08 2jnk n ILE 77 Ca 0.38 -1.00 0.00 0.00 0.56 0.00 0.00 62.75 62.69 2jnk n ILE 77 Cb 0.77 -5.14 0.00 0.00 -0.75 0.00 0.00 39.64 34.52 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 -3.82 0.00 -0.03 0.38 -0.58 -1.25 -4.35 120.64 110.99 2jnk n GLU 78 Ca -0.14 0.00 0.18 0.00 -0.42 0.00 0.00 57.16 56.78 2jnk n GLU 78 Cb 0.63 0.00 0.27 0.00 -0.57 0.00 0.00 31.44 31.76 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 -1.50 3.49 1.02 -1.26 0.16 120.64 122.56 2jnk n GLU 79 Ca 0.00 0.93 0.01 0.00 -0.02 0.00 0.00 57.16 58.08 2jnk n GLU 79 Cb 0.00 -2.38 0.08 0.00 -0.02 0.00 0.00 31.44 29.12 2jnk n GLU 79 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2jnk n SER 80 N -2.86 1.76 0.24 1.62 3.41 -1.26 -4.81 113.62 111.71 2jnk n SER 80 Ca 0.15 -2.78 0.14 0.00 -0.26 0.00 0.00 58.87 56.11 2jnk n SER 80 Cb 1.27 -0.40 0.47 0.00 -0.26 0.00 0.00 64.21 65.28 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 4.41 0.16 -1.35 6.66 1.03 0.13 -3.23 112.91 120.71 2jnk h THR 81 Ca -0.08 -0.86 0.40 0.00 -0.01 0.00 0.00 66.41 65.86 2jnk h THR 81 Cb 1.49 1.75 -0.07 0.00 -1.07 0.00 0.00 68.15 70.24 2jnk h THR 81 CO 0.16 0.07 0.95 1.23 -0.01 0.00 0.00 175.52 177.92 2jnk h GLY 82 N 2.66 0.37 -7.34 2.99 0.00 -1.88 -3.21 103.07 96.66 2jnk h GLY 82 Ca -0.00 -0.05 -0.64 0.00 0.00 0.00 0.00 47.33 46.64 2jnk h GLY 82 CO 0.01 -0.08 2.27 1.22 0.00 0.00 0.00 176.54 179.96 2jnk n ASP 83 N -4.27 4.35 0.14 0.19 9.92 -1.22 -4.51 116.55 121.16 2jnk n ASP 83 Ca 0.31 -2.86 -0.06 0.00 -0.53 0.00 0.00 54.79 51.65 2jnk n ASP 83 Cb 1.39 -1.70 -0.03 0.00 -0.64 0.00 0.00 41.12 40.14 2jnk n ASP 83 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2jnk h PHE 84 N 7.52 -0.34 0.00 1.24 0.04 -1.78 -2.88 116.94 120.75 2jnk h PHE 84 Ca 0.44 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.21 2jnk h PHE 84 Cb 0.82 0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.08 2jnk h PHE 84 CO 1.40 -0.21 0.00 -0.91 -0.60 0.00 0.00 178.31 177.98 2jnk h ASN 85 N -0.40 0.00 0.00 2.17 2.35 -1.86 -3.46 115.58 114.38 2jnk h ASN 85 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2jnk h ASN 85 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 2jnk h ASN 85 CO 0.06 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.45 2jnk n GLY 86 N -0.93 0.49 0.09 2.83 0.00 -1.09 -4.84 105.19 101.74 2jnk n GLY 86 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2jnk n GLY 86 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jnk n ASN 87 N -0.17 0.75 0.00 1.61 6.94 -1.26 -4.98 115.26 118.15 2jnk n ASN 87 Ca 0.00 0.33 0.00 0.00 -0.02 0.00 0.00 54.58 54.89 2jnk n ASN 87 Cb 0.09 0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 2jnk n ASN 87 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jnk n GLY 88 N 1.40 0.96 2.98 4.83 0.00 -1.26 -5.14 105.19 108.97 2jnk n GLY 88 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 2jnk n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jnk s LYS 89 N 0.08 0.24 -0.54 1.61 -0.14 -1.26 -5.09 119.74 114.62 2jnk s LYS 89 Ca 0.00 0.65 0.04 0.00 -1.36 0.00 0.00 55.97 55.30 2jnk s LYS 89 Cb 0.00 -0.29 0.14 0.00 -1.68 0.00 0.00 37.83 36.00 2jnk s LYS 89 CO 0.00 -0.44 0.32 0.42 -0.76 0.00 0.00 175.35 174.90 2jnk s ILE 90 N 2.47 2.23 0.27 2.17 -1.09 -1.26 -4.48 121.20 121.50 2jnk s ILE 90 Ca 0.05 -3.35 0.00 0.00 -2.23 0.00 0.00 60.65 55.11 2jnk s ILE 90 Cb -0.14 -2.52 0.00 0.00 -1.58 0.00 0.00 42.46 38.22 2jnk s ILE 90 CO -0.12 -0.91 0.00 0.47 -1.23 0.00 0.00 174.94 173.15 2jnk n ASP 91 N 2.88 -2.41 0.06 3.58 8.00 -1.26 -4.94 116.55 122.46 2jnk n ASP 91 Ca 0.12 0.72 0.05 0.00 0.71 0.00 0.00 54.79 56.38 2jnk n ASP 91 Cb 0.34 2.44 -0.06 0.00 -0.02 0.00 0.00 41.12 43.83 2jnk n ASP 91 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jnk n ILE 92 N -3.21 0.94 0.12 0.53 0.13 -1.26 -3.87 119.36 112.73 2jnk n ILE 92 Ca 0.00 -0.63 0.04 0.00 -1.10 0.00 0.00 62.75 61.05 2jnk n ILE 92 Cb 0.00 -0.56 0.19 0.00 -0.84 0.00 0.00 39.64 38.43 2jnk n ILE 92 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2jnk n GLY 93 N 1.31 -0.68 0.07 4.50 0.00 -1.26 -1.87 105.19 107.27 2jnk n GLY 93 Ca -0.06 0.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 2jnk n GLY 93 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2jnk h ASP 94 N 0.00 -0.03 -0.80 1.61 3.58 -1.92 -0.43 116.42 118.42 2jnk h ASP 94 Ca 0.00 -0.51 -0.40 0.00 0.42 0.00 0.00 57.03 56.54 2jnk h ASP 94 Cb 0.05 0.01 -0.24 0.00 1.72 0.00 0.00 39.33 40.87 2jnk h ASP 94 CO 0.00 0.70 0.51 -0.11 -2.88 0.00 0.00 179.24 177.46 2jnk n LEU 95 N -4.73 6.01 0.00 2.28 7.94 -1.01 -2.86 117.00 124.63 2jnk n LEU 95 Ca -0.06 -3.19 0.00 0.00 -1.11 0.00 0.00 56.01 51.66 2jnk n LEU 95 Cb 0.26 -0.77 0.00 0.00 0.53 0.00 0.00 43.42 43.44 2jnk n LEU 95 CO 0.19 0.93 0.00 0.00 -1.11 0.00 0.00 177.39 177.40 2jnk n ALA 96 N -0.77 0.54 -0.40 1.96 0.00 -0.78 -4.92 120.51 116.14 2jnk n ALA 96 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2jnk n ALA 96 Cb 1.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.89 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 -1.25 0.00 0.18 0.00 1.56 -0.29 -4.17 117.12 113.15 2jnk n MET 97 Ca 0.00 0.16 -0.14 0.00 -0.27 0.00 0.00 57.70 57.46 2jnk n MET 97 Cb 0.00 -0.57 -0.08 0.00 2.15 0.00 0.00 33.22 34.72 2jnk n MET 97 CO 0.00 0.00 0.00 -0.24 -0.73 0.00 0.00 175.97 175.00 2jnk h VAL 98 N 0.00 0.67 0.00 1.12 3.04 -1.40 -2.91 116.25 116.77 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 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 30.18 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 0.03 -0.07 3.17 7.64 -1.13 -1.91 113.62 116.17 2jnk n SER 99 Ca -0.10 0.51 -0.15 0.00 1.01 0.00 0.00 58.87 60.14 2jnk n SER 99 Cb 0.26 -0.52 -0.05 0.00 -1.01 0.00 0.00 64.21 62.89 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 0.83 0.00 1.43 3.11 -1.67 -3.34 116.57 116.93 2jnk h LYS 100 Ca 0.00 -0.56 -0.03 0.00 -2.81 0.00 0.00 60.65 57.26 2jnk h LYS 100 Cb 0.01 0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 31.31 2jnk h LYS 100 CO 0.00 1.19 -0.20 -0.91 -2.81 0.00 0.00 179.45 176.72 2jnk h ASN 101 N 0.59 0.00 -5.90 4.20 2.35 -1.49 -3.50 115.58 111.83 2jnk h ASN 101 Ca 0.00 -0.44 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 2jnk h ASN 101 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 2jnk h ASN 101 CO 0.13 0.83 -0.02 -0.38 -1.65 0.00 0.00 177.43 176.34 2jnk n ILE 102 N -4.66 -0.98 -3.13 2.81 2.08 -1.10 -3.83 119.36 110.55 2jnk n ILE 102 Ca -0.08 0.01 -0.14 0.00 0.56 0.00 0.00 62.75 63.10 2jnk n ILE 102 Cb 0.29 -2.40 0.05 0.00 -0.75 0.00 0.00 39.64 36.83 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 2.45 0.01 0.19 7.39 0.00 0.17 -4.67 105.19 110.72 2jnk n GLY 103 Ca 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 2jnk n GLY 103 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2jnk h SER 104 N -1.61 0.37 -1.66 1.61 0.87 -1.83 -3.45 113.55 107.86 2jnk h SER 104 Ca -0.36 -0.20 -0.32 0.00 -1.23 0.00 0.00 61.79 59.69 2jnk h SER 104 Cb 1.23 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 63.02 2jnk h SER 104 CO 0.34 0.85 -0.36 0.35 -0.53 0.00 0.00 176.83 177.48 2jnk n THR 105 N -3.93 -0.45 0.00 2.23 -2.24 -1.19 -4.78 114.28 103.92 2jnk n THR 105 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2jnk n THR 105 Cb 0.59 -2.08 0.00 0.00 -2.10 0.00 0.00 70.33 66.74 2jnk n THR 105 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2jnk n THR 106 N -3.44 0.00 -2.21 4.28 -1.04 -1.26 -4.97 114.28 105.65 2jnk n THR 106 Ca -0.18 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.43 2jnk n THR 106 Cb 0.59 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.09 2jnk n THR 106 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2jnk n ASN 107 N -2.43 4.28 -0.45 8.00 5.15 -1.26 -4.65 115.26 123.89 2jnk n ASN 107 Ca 0.00 -2.86 0.13 0.00 -0.60 0.00 0.00 54.58 51.26 2jnk n ASN 107 Cb 0.00 -1.69 0.44 0.00 -0.53 0.00 0.00 39.78 38.00 2jnk n ASN 107 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 2jnk n THR 108 N 6.23 0.00 1.56 -0.44 -1.04 -1.26 -3.93 114.28 115.40 2jnk n THR 108 Ca 0.49 -0.23 0.11 0.00 -2.04 0.00 0.00 64.05 62.38 2jnk n THR 108 Cb 0.44 0.56 0.65 0.00 -1.82 0.00 0.00 70.33 70.16 2jnk n THR 108 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2jnk n SER 109 N 0.01 0.00 -0.39 8.00 2.88 -1.26 -2.70 113.62 120.16 2jnk n SER 109 Ca 0.16 -0.88 0.07 0.00 -1.33 0.00 0.00 58.87 56.90 2jnk n SER 109 Cb 0.37 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 63.97 2jnk n SER 109 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2jnk n LEU 110 N -0.94 2.09 -4.28 2.46 0.00 -1.25 -4.99 117.00 110.09 2jnk n LEU 110 Ca 0.16 -3.02 -0.35 0.00 0.00 0.00 0.00 56.01 52.80 2jnk n LEU 110 Cb 0.08 -0.38 -0.14 0.00 0.00 0.00 0.00 43.42 42.98 2jnk n LEU 110 CO 0.12 0.86 -0.36 -1.81 0.00 0.00 0.00 177.39 176.20 2jnk s ASP 111 N -2.71 4.53 0.26 1.96 1.11 -1.10 -4.90 116.67 115.82 2jnk s ASP 111 Ca 0.30 -0.63 0.13 0.00 0.18 0.00 0.00 52.55 52.53 2jnk s ASP 111 Cb 0.28 -1.75 0.72 0.00 1.07 0.00 0.00 42.92 43.24 2jnk s ASP 111 CO -0.02 -0.10 1.33 0.00 1.18 0.00 0.00 175.17 177.56 2jnk n LEU 112 N 4.77 0.34 -0.00 1.23 -0.00 -1.26 0.26 117.00 122.34 2jnk n LEU 112 Ca -0.17 0.59 0.05 0.00 -0.00 0.00 0.00 56.01 56.49 2jnk n LEU 112 Cb 0.49 -0.58 -0.08 0.00 -0.00 0.00 0.00 43.42 43.24 2jnk n LEU 112 CO 0.29 -0.70 -0.57 0.59 -0.00 0.00 0.00 177.39 176.99 2jnk n ASN 113 N -1.98 2.30 -3.64 1.45 4.13 -1.23 -2.83 115.26 113.46 2jnk n ASN 113 Ca -0.01 -0.07 -0.26 0.00 1.68 0.00 0.00 54.58 55.92 2jnk n ASN 113 Cb 0.19 1.45 -0.03 0.00 -1.54 0.00 0.00 39.78 39.86 2jnk n ASN 113 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 2jnk n LYS 114 N -1.82 -2.64 0.00 3.52 2.85 0.14 -4.59 118.16 115.61 2jnk n LYS 114 Ca -0.02 0.30 0.16 0.00 -1.05 0.00 0.00 58.31 57.70 2jnk n LYS 114 Cb 0.27 -4.95 0.85 0.00 -0.65 0.00 0.00 35.03 30.56 2jnk n LYS 114 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2jnk n ASP 115 N -2.25 0.32 -0.10 -5.58 2.03 -1.26 -4.88 116.55 104.82 2jnk n ASP 115 Ca 0.03 -1.09 0.00 0.00 0.52 0.00 0.00 54.79 54.26 2jnk n ASP 115 Cb 0.50 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 2jnk n ASP 115 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jnk n GLY 116 N 1.04 0.70 3.16 0.27 0.00 -1.26 -5.03 105.19 104.07 2jnk n GLY 116 Ca 0.23 -0.71 0.06 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.84 -0.16 -0.41 1.61 0.01 -1.26 -3.17 113.70 107.47 2jnk s SER 117 Ca 0.00 0.12 -0.27 0.00 1.31 0.00 0.00 55.95 57.10 2jnk s SER 117 Cb 0.00 1.14 -0.03 0.00 0.21 0.00 0.00 66.02 67.34 2jnk s SER 117 CO 0.00 -0.03 1.99 -0.63 0.41 0.00 0.00 173.24 174.98 2jnk s ILE 118 N 2.89 3.28 0.00 1.44 -1.09 -1.26 -4.36 121.20 122.10 2jnk s ILE 118 Ca -0.07 0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.60 2jnk s ILE 118 Cb -0.08 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 2jnk s ILE 118 CO -0.09 -0.40 0.00 -0.67 -1.23 0.00 0.00 174.94 172.55 2jnk n ASP 119 N 12.17 0.00 0.25 3.58 2.03 -1.26 0.43 116.55 133.75 2jnk n ASP 119 Ca 0.26 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.68 2jnk n ASP 119 Cb 0.49 0.00 0.65 0.00 -0.72 0.00 0.00 41.12 41.54 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 0.00 0.00 -0.67 5.08 -2.01 -2.08 114.58 114.91 2jnk h GLU 120 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jnk h GLU 120 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2jnk h GLU 120 CO 0.00 0.16 0.00 0.66 -1.00 0.00 0.00 179.01 178.83 2jnk n TYR 121 N -3.68 0.78 0.02 4.33 4.01 -1.26 -1.81 117.16 119.54 2jnk n TYR 121 Ca -0.02 0.32 0.03 0.00 -0.16 0.00 0.00 57.90 58.07 2jnk n TYR 121 Cb 0.28 -1.01 -0.10 0.00 -0.31 0.00 0.00 39.34 38.20 2jnk n TYR 121 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2jnk n GLU 122 N -2.22 0.64 0.01 -0.72 -0.58 -0.78 -4.19 120.64 112.79 2jnk n GLU 122 Ca 0.02 0.08 -0.01 0.00 -0.42 0.00 0.00 57.16 56.82 2jnk n GLU 122 Cb 0.20 -1.71 -0.10 0.00 -0.57 0.00 0.00 31.44 29.26 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 -2.69 1.18 -0.66 -3.67 2.08 -1.03 -4.25 119.36 110.32 2jnk n ILE 123 Ca -0.10 -0.71 0.50 0.00 0.56 0.00 0.00 62.75 63.00 2jnk n ILE 123 Cb 0.78 -0.70 0.78 0.00 -0.75 0.00 0.00 39.64 39.75 2jnk n ILE 123 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 2jnk n SER 124 N -2.85 0.02 -0.02 4.38 3.41 -0.75 0.11 113.62 117.92 2jnk n SER 124 Ca -0.13 0.98 -0.01 0.00 -0.26 0.00 0.00 58.87 59.46 2jnk n SER 124 Cb 0.88 -0.49 -0.00 0.00 -0.26 0.00 0.00 64.21 64.34 2jnk n SER 124 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2jnk h PHE 125 N 0.00 0.00 0.28 7.33 3.57 -1.76 -3.37 116.94 122.99 2jnk h PHE 125 Ca 0.90 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 62.38 2jnk h PHE 125 Cb 3.54 0.00 0.00 0.00 2.79 0.00 0.00 35.95 42.29 2jnk h PHE 125 CO -0.00 0.00 -0.13 -0.84 -2.23 0.00 0.00 178.31 175.10 2jnk h ILE 126 N -0.42 0.69 -0.67 1.41 -2.65 -1.48 0.20 117.51 114.59 2jnk h ILE 126 Ca 0.00 -0.74 0.28 0.00 1.03 0.00 0.00 64.86 65.43 2jnk h ILE 126 Cb 0.06 1.05 -0.12 0.00 -2.05 0.00 0.00 36.82 35.75 2jnk h ILE 126 CO 0.00 0.14 0.35 -3.20 0.03 0.00 0.00 178.15 175.46 2jnk n ASN 127 N -5.08 0.22 -0.08 2.16 2.85 0.30 0.27 115.26 115.91 2jnk n ASN 127 Ca -0.09 1.11 -0.22 0.00 -0.11 0.00 0.00 54.58 55.27 2jnk n ASN 127 Cb 0.26 -0.54 -0.12 0.00 1.24 0.00 0.00 39.78 40.62 2jnk n ASN 127 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 2jnk n HIS 128 N -4.53 0.73 -0.22 1.20 -0.00 -1.22 -2.90 115.22 108.29 2jnk n HIS 128 Ca 0.25 0.22 0.31 0.00 0.46 0.00 0.00 57.72 58.96 2jnk n HIS 128 Cb 0.85 -1.09 0.73 0.00 -0.12 0.00 0.00 29.99 30.37 2jnk n HIS 128 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 2jnk h ARG 129 N -0.43 0.00 0.00 1.57 9.65 0.20 0.86 114.38 126.23 2jnk h ARG 129 Ca -0.48 0.00 -0.22 0.00 -1.10 0.00 0.00 59.98 58.18 2jnk h ARG 129 Cb 1.73 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 30.28 2jnk h ARG 129 CO -0.12 0.00 -1.38 -0.89 2.80 0.00 0.00 179.97 180.38 2jnk n ILE 130 N -4.14 1.51 0.23 1.20 -0.00 0.62 -4.29 119.36 114.49 2jnk n ILE 130 Ca 0.21 -0.04 0.14 0.00 -0.00 0.00 0.00 62.75 63.06 2jnk n ILE 130 Cb 1.09 -2.11 0.78 0.00 -0.00 0.00 0.00 39.64 39.40 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 -1.00 0.00 0.00 1.39 5.85 -1.29 -3.23 115.31 117.04 2jnk h LEU 131 Ca -0.33 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2jnk h LEU 131 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2jnk h LEU 131 CO -0.20 0.00 0.00 0.59 -0.34 0.00 0.00 178.44 178.49 2jnk n ASN 132 N -4.11 0.00 -3.24 1.25 3.02 0.29 -4.94 115.26 107.53 2jnk n ASN 132 Ca -0.01 0.56 -0.10 0.00 -0.03 0.00 0.00 54.58 55.00 2jnk n ASN 132 Cb 0.20 -0.06 0.03 0.00 -0.61 0.00 0.00 39.78 39.34 2jnk n ASN 132 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2jnk n LEU 133 N -0.77 -5.67 0.18 3.41 4.77 -1.22 -4.96 117.00 112.73 2jnk n LEU 133 Ca 0.00 -0.45 -0.07 0.00 -0.03 0.00 0.00 56.01 55.46 2jnk n LEU 133 Cb 0.00 -3.08 -0.03 0.00 -2.33 0.00 0.00 43.42 37.98 2jnk n LEU 133 CO 0.00 -0.43 0.51 -0.08 -1.33 0.00 0.00 177.39 176.06 2jnk h GLU 134 N -0.38 -0.44 0.00 3.23 4.22 -1.93 -3.49 114.58 115.79 2jnk h GLU 134 Ca -0.33 0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.16 2jnk h GLU 134 Cb 1.17 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 2jnk h GLU 134 CO 0.37 -0.29 0.06 1.58 -2.18 0.00 0.00 179.01 178.56 2jnk n HIS 135 N -3.23 -0.43 -2.91 0.92 -0.00 -1.26 -5.10 115.22 103.21 2jnk n HIS 135 Ca -0.06 -0.09 -0.43 0.00 0.46 0.00 0.00 57.72 57.60 2jnk n HIS 135 Cb 0.18 0.04 -0.04 0.00 -0.12 0.00 0.00 29.99 30.05 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 -4.47 2.76 -0.09 1.57 -3.43 -1.26 -5.00 115.29 105.38 2jnk s HIS 136 Ca 0.02 -0.68 0.00 0.00 -0.80 0.00 0.00 55.06 53.60 2jnk s HIS 136 Cb -0.00 -4.25 0.02 0.00 -1.43 0.00 0.00 32.58 26.92 2jnk s HIS 136 CO 0.00 -1.58 -0.07 -1.58 -2.00 0.00 0.00 174.74 169.51 2jnk s HIS 137 N 3.73 1.26 -0.09 0.38 5.04 -1.26 -5.05 115.29 119.30 2jnk s HIS 137 Ca 0.21 -0.53 -0.00 0.00 -1.54 0.00 0.00 55.06 53.19 2jnk s HIS 137 Cb -0.17 -1.05 -0.00 0.00 0.04 0.00 0.00 32.58 31.39 2jnk s HIS 137 CO 0.08 -0.38 -0.01 0.45 -2.34 0.00 0.00 174.74 172.54 2jnk h HIS 138 N 7.75 0.00 0.00 3.88 3.86 -2.09 -3.46 115.15 125.09 2jnk h HIS 138 Ca -0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.91 2jnk h HIS 138 Cb 1.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.62 2jnk h HIS 138 CO 0.48 0.00 0.00 1.58 0.86 0.00 0.00 177.93 180.85 2jnk n HIS 139 N -4.49 0.00 -0.60 2.45 -0.00 -1.26 -5.31 115.22 106.01 2jnk n HIS 139 Ca -0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2jnk n HIS 139 Cb 0.01 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.88 2jnk n HIS 139 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38