#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 -0.20 0.00 3.17 1.01 -1.26 -4.93 116.67 114.47 2jnk s ASP 2 Ca 0.00 0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.46 2jnk s ASP 2 Cb 0.00 0.39 0.00 0.00 1.01 0.00 0.00 42.92 44.32 2jnk s ASP 2 CO 0.00 -0.34 0.00 0.29 0.21 0.00 0.00 175.17 175.33 2jnk n LYS 3 N 1.78 0.00 -0.57 8.23 4.76 -1.26 -4.41 118.16 126.69 2jnk n LYS 3 Ca -0.19 0.00 0.47 0.00 -2.87 0.00 0.00 58.31 55.71 2jnk n LYS 3 Cb 0.56 0.00 0.80 0.00 -1.84 0.00 0.00 35.03 34.55 2jnk n LYS 3 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2jnk h THR 4 N 0.00 0.15 -0.25 -0.18 2.02 -1.94 0.54 112.91 113.26 2jnk h THR 4 Ca 0.00 -0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 2jnk h THR 4 Cb 0.00 0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 66.51 2jnk h THR 4 CO 0.00 0.00 -0.09 -1.13 0.37 0.00 0.00 175.52 174.67 2jnk h ASN 5 N 0.00 -0.33 0.20 4.18 -0.00 -1.92 1.03 115.58 118.75 2jnk h ASN 5 Ca 0.80 0.09 -0.35 0.00 -0.00 0.00 0.00 56.30 56.84 2jnk h ASN 5 Cb 3.21 0.19 0.01 0.00 -0.00 0.00 0.00 38.32 41.73 2jnk h ASN 5 CO -0.02 -0.12 -1.73 0.17 -0.00 0.00 0.00 177.43 175.73 2jnk h LEU 6 N -0.05 0.64 -2.08 0.34 -0.00 -1.29 -3.15 115.31 109.71 2jnk h LEU 6 Ca 0.13 -0.92 0.07 0.00 -0.00 0.00 0.00 57.88 57.15 2jnk h LEU 6 Cb 0.24 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.69 2jnk h LEU 6 CO -0.28 1.78 0.34 1.23 -0.00 0.00 0.00 178.44 181.50 2jnk h GLY 7 N 0.65 0.00 1.00 0.17 0.00 -0.79 1.50 103.07 105.59 2jnk h GLY 7 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2jnk h GLY 7 CO 0.19 0.00 -0.93 -1.84 0.00 0.00 0.00 176.54 173.96 2jnk n GLU 8 N -3.48 0.51 -0.05 4.80 0.28 0.35 -2.95 120.64 120.11 2jnk n GLU 8 Ca 0.03 0.10 0.02 0.00 -0.16 0.00 0.00 57.16 57.15 2jnk n GLU 8 Cb 0.46 -1.78 -0.16 0.00 1.43 0.00 0.00 31.44 31.39 2jnk n GLU 8 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2jnk n LEU 9 N -2.50 0.03 -0.02 -1.84 4.77 0.28 -4.43 117.00 113.30 2jnk n LEU 9 Ca 0.01 0.01 -0.18 0.00 -0.03 0.00 0.00 56.01 55.82 2jnk n LEU 9 Cb 0.52 0.21 -0.14 0.00 -2.33 0.00 0.00 43.42 41.69 2jnk n LEU 9 CO 0.39 0.22 0.08 0.16 -1.33 0.00 0.00 177.39 176.91 2jnk h ILE 10 N 0.00 1.52 -0.90 -0.08 3.07 0.15 0.70 117.51 121.97 2jnk h ILE 10 Ca -0.24 -2.41 0.27 0.00 1.55 0.00 0.00 64.86 64.03 2jnk h ILE 10 Cb 1.55 3.14 -0.17 0.00 -0.27 0.00 0.00 36.82 41.07 2jnk h ILE 10 CO 0.01 0.63 0.10 -0.46 -1.05 0.00 0.00 178.15 177.38 2jnk n ASN 11 N -4.34 -0.03 -0.01 2.16 0.23 -1.15 0.11 115.26 112.22 2jnk n ASN 11 Ca -0.15 1.52 -0.03 0.00 -0.53 0.00 0.00 54.58 55.38 2jnk n ASN 11 Cb 0.67 -0.59 -0.12 0.00 -2.08 0.00 0.00 39.78 37.66 2jnk n ASN 11 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jnk n GLN 12 N -5.27 0.64 0.19 -3.83 10.64 -1.25 -4.09 117.38 114.41 2jnk n GLN 12 Ca 0.23 0.15 -0.08 0.00 -1.83 0.00 0.00 57.00 55.48 2jnk n GLN 12 Cb 0.77 -1.72 -0.04 0.00 -0.86 0.00 0.00 30.24 28.40 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 3.75 -0.62 1.68 2.61 0.00 0.32 -0.14 103.07 110.67 2jnk h GLY 13 Ca -0.27 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2jnk h GLY 13 CO 0.05 -0.22 0.13 0.07 0.00 0.00 0.00 176.54 176.57 2jnk h LYS 14 N -0.50 0.00 0.23 4.80 2.10 -1.28 0.12 116.57 122.04 2jnk h LYS 14 Ca -0.05 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.27 2jnk h LYS 14 Cb 0.39 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.75 2jnk h LYS 14 CO 0.07 0.00 -1.51 0.77 -2.00 0.00 0.00 179.45 176.77 2jnk h SER 15 N 0.00 0.76 0.15 7.07 0.02 -1.57 -3.12 113.55 116.87 2jnk h SER 15 Ca 0.00 -0.87 -0.25 0.00 -0.84 0.00 0.00 61.79 59.83 2jnk h SER 15 Cb 0.26 -0.25 0.03 0.00 0.14 0.00 0.00 62.40 62.58 2jnk h SER 15 CO 0.00 1.69 -1.09 0.17 -1.14 0.00 0.00 176.83 176.46 2jnk h LEU 16 N 0.13 0.69 -1.16 5.07 8.10 0.10 -2.39 115.31 125.86 2jnk h LEU 16 Ca -0.26 -0.89 0.18 0.00 0.11 0.00 0.00 57.88 57.02 2jnk h LEU 16 Cb 2.14 -0.22 -0.09 0.00 -0.44 0.00 0.00 40.66 42.05 2jnk h LEU 16 CO 0.25 1.52 0.61 0.25 -4.11 0.00 0.00 178.44 176.97 2jnk h LEU 17 N -0.03 0.70 -0.39 0.17 5.85 -1.06 2.00 115.31 122.55 2jnk h LEU 17 Ca -0.18 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 2jnk h LEU 17 Cb 1.83 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.79 2jnk h LEU 17 CO 0.21 0.28 -0.37 0.44 -0.34 0.00 0.00 178.44 178.66 2jnk h ASP 18 N 0.70 0.00 0.00 1.25 3.32 -1.55 -3.39 116.42 116.75 2jnk h ASP 18 Ca 0.53 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.58 2jnk h ASP 18 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 2jnk h ASP 18 CO -0.30 0.37 -0.31 1.21 -1.72 0.00 0.00 179.24 178.49 2jnk n GLU 19 N -3.28 0.20 -1.54 3.56 2.13 0.21 -4.80 120.64 117.12 2jnk n GLU 19 Ca 0.01 0.22 -0.24 0.00 0.66 0.00 0.00 57.16 57.81 2jnk n GLU 19 Cb 0.61 -1.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.23 2jnk n GLU 19 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2jnk n SER 20 N -3.25 1.28 -4.87 4.31 3.41 0.62 -4.89 113.62 110.23 2jnk n SER 20 Ca -0.04 -0.87 -0.34 0.00 -0.26 0.00 0.00 58.87 57.36 2jnk n SER 20 Cb 0.16 -1.38 -0.05 0.00 -0.26 0.00 0.00 64.21 62.67 2jnk n SER 20 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jnk s VAL 21 N 11.13 5.01 -0.48 -3.33 0.11 -1.26 -4.73 120.40 126.86 2jnk s VAL 21 Ca 1.05 0.49 -0.29 0.00 -2.93 0.00 0.00 61.98 60.30 2jnk s VAL 21 Cb -0.38 -3.66 0.02 0.00 -1.53 0.00 0.00 36.38 30.84 2jnk s VAL 21 CO 0.26 0.16 1.26 -1.83 -3.33 0.00 0.00 175.10 171.61 2jnk s GLU 22 N -2.24 3.61 0.00 1.54 4.04 -1.25 -0.85 118.70 123.54 2jnk s GLU 22 Ca 0.39 0.63 0.00 0.00 0.04 0.00 0.00 54.97 56.03 2jnk s GLU 22 Cb -0.13 -3.98 0.00 0.00 0.02 0.00 0.00 34.13 30.04 2jnk s GLU 22 CO 0.20 -1.53 0.00 0.41 -1.84 0.00 0.00 175.26 172.50 2jnk n GLY 23 N 4.99 0.95 0.00 -3.83 0.00 1.08 -4.73 105.19 103.65 2jnk n GLY 23 Ca 0.13 -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 0.33 0.00 0.00 0.00 173.32 173.65 2jnk n PHE 24 N 0.00 0.00 -3.82 1.61 7.35 -1.25 -4.65 117.46 116.69 2jnk n PHE 24 Ca 0.00 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.73 2jnk n PHE 24 Cb 0.00 0.00 0.01 0.00 0.35 0.00 0.00 39.48 39.84 2jnk n PHE 24 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2jnk s ASN 25 N 0.00 -0.01 -0.18 -2.13 4.22 -1.16 -4.40 114.94 111.28 2jnk s ASN 25 Ca 0.00 -0.06 -0.38 0.00 -2.14 0.00 0.00 52.86 50.28 2jnk s ASN 25 Cb 0.00 0.05 -0.15 0.00 1.28 0.00 0.00 41.25 42.43 2jnk s ASN 25 CO 0.00 -0.10 1.71 0.55 -2.04 0.00 0.00 177.10 177.22 2jnk n VAL 26 N -0.76 0.31 0.00 3.54 3.14 -1.26 -0.15 118.33 123.15 2jnk n VAL 26 Ca -0.01 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.31 2jnk n VAL 26 Cb 0.61 -1.30 0.00 0.00 -1.06 0.00 0.00 33.84 32.09 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 3.99 2.23 3.01 7.55 0.00 -0.59 -5.01 105.19 116.37 2jnk n GLY 27 Ca 0.24 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.21 0.75 0.58 1.61 2.02 0.79 -4.13 118.70 120.11 2jnk s GLU 28 Ca 0.00 -0.31 0.08 0.00 0.02 0.00 0.00 54.97 54.76 2jnk s GLU 28 Cb 0.00 -0.72 0.09 0.00 0.10 0.00 0.00 34.13 33.60 2jnk s GLU 28 CO 0.00 0.17 0.80 1.52 0.02 0.00 0.00 175.26 177.77 2jnk s TYR 29 N -0.13 1.56 -0.03 1.61 1.13 -0.03 -2.99 117.35 118.48 2jnk s TYR 29 Ca 0.02 -0.63 -0.01 0.00 -1.41 0.00 0.00 57.07 55.05 2jnk s TYR 29 Cb -0.04 -2.34 -0.00 0.00 -1.10 0.00 0.00 41.96 38.47 2jnk s TYR 29 CO -0.00 -1.17 -0.01 1.25 -2.51 0.00 0.00 175.55 173.10 2jnk h HIS 30 N 0.12 0.00 -1.37 -3.49 -0.00 -1.83 3.24 115.15 111.82 2jnk h HIS 30 Ca -0.32 0.00 0.13 0.00 -0.00 0.00 0.00 60.37 60.18 2jnk h HIS 30 Cb 1.28 0.00 -0.27 0.00 -0.00 0.00 0.00 27.41 28.43 2jnk h HIS 30 CO 0.34 0.00 0.67 0.15 -0.00 0.00 0.00 177.93 179.09 2jnk s LYS 31 N -1.20 0.36 0.00 5.26 1.02 -1.26 -4.57 119.74 119.35 2jnk s LYS 31 Ca -0.01 0.22 0.00 0.00 0.02 0.00 0.00 55.97 56.20 2jnk s LYS 31 Cb 0.00 0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.48 2jnk s LYS 31 CO 0.02 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.77 2jnk n GLY 32 N 1.25 1.62 0.17 -3.33 0.00 -1.26 -4.99 105.19 98.64 2jnk n GLY 32 Ca -0.09 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.71 -1.48 4.61 0.00 -1.96 -1.45 119.26 118.27 2jnk h ALA 33 Ca 0.00 -0.09 0.43 0.00 0.00 0.00 0.00 54.91 55.25 2jnk h ALA 33 Cb 0.00 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 2jnk h ALA 33 CO 0.00 -0.69 1.32 1.17 0.00 0.00 0.00 179.25 181.05 2jnk n LYS 34 N -3.60 0.01 -0.00 0.00 4.81 -1.26 -2.51 118.16 115.60 2jnk n LYS 34 Ca -0.05 1.05 -0.00 0.00 -0.87 0.00 0.00 58.31 58.44 2jnk n LYS 34 Cb 0.16 -2.51 -0.00 0.00 0.02 0.00 0.00 35.03 32.70 2jnk n LYS 34 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2jnk n ASP 35 N -3.55 0.02 0.00 3.14 5.75 -1.21 -4.06 116.55 116.63 2jnk n ASP 35 Ca 0.33 0.13 0.00 0.00 -0.01 0.00 0.00 54.79 55.24 2jnk n ASP 35 Cb 1.76 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 41.35 2jnk n ASP 35 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jnk n GLY 36 N 1.62 -2.11 0.29 6.12 0.00 -0.55 0.34 105.19 110.90 2jnk n GLY 36 Ca -0.00 0.44 0.06 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.42 -1.33 0.99 5.85 -1.59 0.69 115.31 119.50 2jnk h LEU 37 Ca 0.00 0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 2jnk h LEU 37 Cb 0.00 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2jnk h LEU 37 CO 0.00 -0.21 -0.21 0.00 -0.34 0.00 0.00 178.44 177.68 2jnk h THR 38 N 0.08 0.58 0.00 1.05 1.03 -0.61 0.10 112.91 115.14 2jnk h THR 38 Ca 0.43 -0.99 -0.09 0.00 -0.01 0.00 0.00 66.41 65.75 2jnk h THR 38 Cb 0.76 1.66 -0.01 0.00 -1.07 0.00 0.00 68.15 69.49 2jnk h THR 38 CO -0.72 0.20 -0.43 0.58 -0.01 0.00 0.00 175.52 175.14 2jnk h VAL 39 N 0.00 1.22 0.00 0.00 2.07 1.18 2.09 116.25 122.81 2jnk h VAL 39 Ca -0.00 -1.51 -0.04 0.00 0.82 0.00 0.00 66.70 65.96 2jnk h VAL 39 Cb 0.64 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 2jnk h VAL 39 CO 0.03 0.42 -1.28 -0.62 0.02 0.00 0.00 177.57 176.14 2jnk n GLU 40 N -3.90 0.62 -0.06 1.57 -0.58 -0.78 -3.39 120.64 114.12 2jnk n GLU 40 Ca -0.01 0.09 -0.14 0.00 -0.42 0.00 0.00 57.16 56.68 2jnk n GLU 40 Cb 0.47 -1.77 -0.13 0.00 -0.57 0.00 0.00 31.44 29.45 2jnk n GLU 40 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 2jnk h ILE 41 N 0.00 1.76 -0.61 -3.67 2.10 0.01 0.92 117.51 118.02 2jnk h ILE 41 Ca -0.05 -2.26 0.11 0.00 1.08 0.00 0.00 64.86 63.75 2jnk h ILE 41 Cb 1.15 3.30 -0.09 0.00 -1.09 0.00 0.00 36.82 40.09 2jnk h ILE 41 CO 0.01 0.59 0.13 0.78 -1.08 0.00 0.00 178.15 178.58 2jnk h ASN 42 N -0.94 0.00 0.81 2.19 2.35 0.32 1.64 115.58 121.96 2jnk h ASN 42 Ca -0.00 0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 2jnk h ASN 42 Cb 0.98 0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 2jnk h ASN 42 CO 0.01 0.01 -0.31 0.50 -1.65 0.00 0.00 177.43 175.99 2jnk h LYS 43 N 0.26 0.00 0.00 0.81 3.11 -1.62 -3.03 116.57 116.09 2jnk h LYS 43 Ca 0.32 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.15 2jnk h LYS 43 Cb 0.48 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.71 2jnk h LYS 43 CO -0.41 0.31 -0.14 0.00 -2.81 0.00 0.00 179.45 176.40 2jnk h ALA 44 N 1.69 0.02 -0.78 5.00 0.00 0.27 -3.20 119.26 122.26 2jnk h ALA 44 Ca -0.00 -0.28 0.18 0.00 0.00 0.00 0.00 54.91 54.81 2jnk h ALA 44 Cb 0.79 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.56 2jnk h ALA 44 CO 0.04 0.11 0.01 0.93 0.00 0.00 0.00 179.25 180.34 2jnk h GLU 45 N -1.00 0.09 -0.80 0.00 5.08 0.20 2.11 114.58 120.27 2jnk h GLU 45 Ca -0.02 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.45 2jnk h GLU 45 Cb 0.43 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 2jnk h GLU 45 CO -0.01 0.06 0.52 0.93 -1.00 0.00 0.00 179.01 179.51 2jnk h GLU 46 N 0.10 0.59 -0.01 2.33 5.08 -1.68 -0.28 114.58 120.71 2jnk h GLU 46 Ca 0.43 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.71 2jnk h GLU 46 Cb 0.78 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2jnk h GLU 46 CO -0.69 0.39 -0.18 0.28 -1.00 0.00 0.00 179.01 177.81 2jnk h VAL 47 N 0.61 1.53 -0.88 3.13 2.07 0.29 1.57 116.25 124.57 2jnk h VAL 47 Ca 0.38 -1.82 0.25 0.00 0.82 0.00 0.00 66.70 66.33 2jnk h VAL 47 Cb 0.64 2.67 -0.04 0.00 -1.52 0.00 0.00 31.29 33.04 2jnk h VAL 47 CO -0.15 0.49 0.63 0.15 0.02 0.00 0.00 177.57 178.71 2jnk h PHE 48 N -0.52 0.08 -0.01 1.57 3.57 0.19 0.25 116.94 122.08 2jnk h PHE 48 Ca -0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2jnk h PHE 48 Cb 0.90 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.61 2jnk h PHE 48 CO 0.17 0.02 -0.21 0.09 -2.23 0.00 0.00 178.31 176.15 2jnk n ASN 49 N -4.31 1.35 -4.73 0.41 3.02 -0.22 -5.01 115.26 105.77 2jnk n ASN 49 Ca 0.18 -1.17 -0.30 0.00 -0.03 0.00 0.00 54.58 53.25 2jnk n ASN 49 Cb 0.91 0.42 0.12 0.00 -0.61 0.00 0.00 39.78 40.62 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 -1.40 1.71 -0.15 3.52 2.20 0.54 -4.99 119.74 121.16 2jnk s LYS 50 Ca 0.10 1.07 -0.08 0.00 -0.36 0.00 0.00 55.97 56.70 2jnk s LYS 50 Cb 0.09 -1.84 -0.24 0.00 -1.51 0.00 0.00 37.83 34.33 2jnk s LYS 50 CO 0.26 -2.00 0.25 0.39 -0.36 0.00 0.00 175.35 173.90 2jnk n GLU 51 N -3.75 0.72 -0.12 4.03 -0.58 -1.26 -3.80 120.64 115.88 2jnk n GLU 51 Ca 0.08 0.29 0.01 0.00 -0.42 0.00 0.00 57.16 57.13 2jnk n GLU 51 Cb 0.54 -1.69 0.06 0.00 -0.57 0.00 0.00 31.44 29.78 2jnk n GLU 51 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2jnk n ASP 52 N -3.60 1.37 -1.88 1.62 8.00 -1.26 -4.25 116.55 116.55 2jnk n ASP 52 Ca -0.34 -2.10 -0.05 0.00 0.71 0.00 0.00 54.79 53.01 2jnk n ASP 52 Cb 0.99 -0.37 -0.07 0.00 -0.02 0.00 0.00 41.12 41.66 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 0.01 4.24 -1.56 2.24 0.00 -1.25 -3.20 120.51 120.99 2jnk n ALA 53 Ca 0.04 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2jnk n ALA 53 Cb 0.30 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 17.96 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 2.14 0.00 0.75 0.00 -2.24 -1.26 -4.29 114.28 109.38 2jnk n THR 54 Ca 0.17 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.07 2jnk n THR 54 Cb 0.54 0.00 0.49 0.00 -2.10 0.00 0.00 70.33 69.26 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 0.08 -0.08 -0.78 2.13 -1.26 -3.02 120.64 117.70 2jnk n GLU 55 Ca 0.00 0.14 -0.08 0.00 0.66 0.00 0.00 57.16 57.88 2jnk n GLU 55 Cb 0.00 -1.60 -0.03 0.00 0.27 0.00 0.00 31.44 30.08 2jnk n GLU 55 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2jnk n GLU 56 N -1.74 0.50 -0.10 5.31 1.02 -1.26 -4.48 120.64 119.89 2jnk n GLU 56 Ca 0.05 0.34 -0.13 0.00 -0.02 0.00 0.00 57.16 57.41 2jnk n GLU 56 Cb 0.31 -1.54 -0.04 0.00 -0.02 0.00 0.00 31.44 30.15 2jnk n GLU 56 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2jnk h GLU 57 N -1.00 0.74 0.01 3.49 3.07 -1.70 -3.11 114.58 116.08 2jnk h GLU 57 Ca -0.03 -0.38 0.01 0.00 -0.50 0.00 0.00 59.36 58.46 2jnk h GLU 57 Cb 0.83 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.72 2jnk h GLU 57 CO -0.02 1.00 -0.32 0.82 -1.40 0.00 0.00 179.01 179.09 2jnk h ILE 58 N 0.49 0.00 -0.64 3.13 1.08 -1.72 0.87 117.51 120.72 2jnk h ILE 58 Ca 0.05 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.65 2jnk h ILE 58 Cb 0.85 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.48 2jnk h ILE 58 CO 0.07 0.00 -0.17 -0.55 -0.69 0.00 0.00 178.15 176.82 2jnk h ASN 59 N -0.41 -0.61 0.07 1.72 -1.07 -1.79 1.92 115.58 115.41 2jnk h ASN 59 Ca 0.01 0.19 -0.02 0.00 0.07 0.00 0.00 56.30 56.55 2jnk h ASN 59 Cb 0.44 0.40 -0.00 0.00 -2.07 0.00 0.00 38.32 37.09 2jnk h ASN 59 CO -0.21 -0.21 -0.09 -0.07 0.07 0.00 0.00 177.43 176.92 2jnk h LEU 60 N -0.01 0.04 0.00 6.14 3.38 -1.32 0.68 115.31 124.22 2jnk h LEU 60 Ca 0.31 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 2jnk h LEU 60 Cb 0.47 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2jnk h LEU 60 CO -0.66 0.14 -0.91 0.00 0.09 0.00 0.00 178.44 177.09 2jnk h ALA 61 N 1.87 0.57 0.02 1.53 0.00 0.74 -3.37 119.26 120.63 2jnk h ALA 61 Ca 0.01 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 2jnk h ALA 61 Cb 0.19 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2jnk h ALA 61 CO 0.01 0.08 -1.03 1.57 0.00 0.00 0.00 179.25 179.88 2jnk h LYS 62 N 0.00 0.05 0.00 0.00 2.10 0.33 -3.17 116.57 115.88 2jnk h LYS 62 Ca -0.01 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.55 2jnk h LYS 62 Cb 1.05 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 2jnk h LYS 62 CO 0.00 1.04 0.19 0.93 -2.00 0.00 0.00 179.45 179.61 2jnk h GLU 63 N -0.85 0.00 0.05 0.07 5.08 -1.08 -0.82 114.58 117.04 2jnk h GLU 63 Ca -0.27 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.72 2jnk h GLU 63 Cb 1.34 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.54 2jnk h GLU 63 CO -0.11 0.00 -2.27 -1.13 -1.00 0.00 0.00 179.01 174.50 2jnk n SER 64 N -2.93 2.04 0.09 1.42 3.41 -1.26 -4.10 113.62 112.29 2jnk n SER 64 Ca -0.02 0.01 -0.01 0.00 -0.26 0.00 0.00 58.87 58.59 2jnk n SER 64 Cb 0.24 -0.60 0.27 0.00 -0.26 0.00 0.00 64.21 63.86 2jnk n SER 64 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2jnk h LEU 65 N 0.03 0.26 -1.41 1.04 3.38 -1.37 0.82 115.31 118.07 2jnk h LEU 65 Ca -0.51 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.36 2jnk h LEU 65 Cb 1.96 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.61 2jnk h LEU 65 CO -0.01 0.57 0.33 1.05 0.09 0.00 0.00 178.44 180.47 2jnk h GLU 66 N 0.23 0.73 -0.35 1.13 4.11 -1.36 -1.45 114.58 117.63 2jnk h GLU 66 Ca 0.03 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.41 2jnk h GLU 66 Cb 0.67 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2jnk h GLU 66 CO 0.05 0.51 0.00 0.41 0.07 0.00 0.00 179.01 180.05 2jnk n GLY 67 N -1.38 3.25 0.08 1.06 0.00 -0.81 -4.09 105.19 103.29 2jnk n GLY 67 Ca 0.05 -0.68 -0.07 0.00 0.00 0.00 0.00 46.02 45.32 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 0.19 0.69 -0.19 4.61 0.00 0.28 -4.16 120.51 121.94 2jnk n ALA 68 Ca 0.17 -0.65 -0.09 0.00 0.00 0.00 0.00 53.44 52.87 2jnk n ALA 68 Cb 0.65 0.02 0.01 0.00 0.00 0.00 0.00 19.45 20.14 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 -0.97 1.24 -1.21 0.00 3.07 -1.70 -2.06 117.51 115.88 2jnk h ILE 69 Ca 0.00 -0.83 0.35 0.00 1.55 0.00 0.00 64.86 65.93 2jnk h ILE 69 Cb 0.79 0.78 -0.05 0.00 -0.27 0.00 0.00 36.82 38.07 2jnk h ILE 69 CO 0.00 0.31 0.99 0.00 -1.05 0.00 0.00 178.15 178.39 2jnk h ALA 70 N 1.01 3.10 0.06 0.16 0.00 -1.75 0.17 119.26 122.01 2jnk h ALA 70 Ca 0.17 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2jnk h ALA 70 Cb 0.31 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2jnk h ALA 70 CO -0.00 -1.61 -0.03 0.00 0.00 0.00 0.00 179.25 177.61 2jnk h ARG 71 N 0.00 -0.08 -0.78 0.00 2.47 -1.53 -3.30 114.38 111.16 2jnk h ARG 71 Ca 0.57 0.01 0.18 0.00 -1.26 0.00 0.00 59.98 59.48 2jnk h ARG 71 Cb 2.54 0.02 -0.14 0.00 -1.65 0.00 0.00 29.97 30.75 2jnk h ARG 71 CO -0.01 -0.05 0.00 0.35 0.56 0.00 0.00 179.97 180.82 2jnk h PHE 72 N -0.32 -0.06 -0.91 3.04 3.04 -1.22 -0.03 116.94 120.49 2jnk h PHE 72 Ca -0.01 0.06 0.26 0.00 3.98 0.00 0.00 57.97 62.25 2jnk h PHE 72 Cb 0.06 0.15 -0.15 0.00 2.56 0.00 0.00 35.95 38.57 2jnk h PHE 72 CO 0.03 -0.26 0.26 -0.91 -2.02 0.00 0.00 178.31 175.42 2jnk h ASN 73 N 0.10 0.01 -1.12 0.41 2.35 -0.87 0.17 115.58 116.64 2jnk h ASN 73 Ca 0.43 0.21 -0.65 0.00 -0.55 0.00 0.00 56.30 55.74 2jnk h ASN 73 Cb 0.76 0.28 -0.34 0.00 0.05 0.00 0.00 38.32 39.07 2jnk h ASN 73 CO -0.69 -0.19 0.26 -1.20 -1.65 0.00 0.00 177.43 173.96 2jnk n SER 74 N -5.24 6.59 -0.02 5.81 7.64 -0.05 -4.48 113.62 123.87 2jnk n SER 74 Ca 0.23 -3.78 -0.02 0.00 1.01 0.00 0.00 58.87 56.32 2jnk n SER 74 Cb 0.75 -0.76 -0.03 0.00 -1.01 0.00 0.00 64.21 63.16 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 -0.76 0.10 -2.21 -3.43 4.32 0.60 -3.77 117.00 111.85 2jnk n LEU 75 Ca 0.54 -0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 56.44 2jnk n LEU 75 Cb 0.69 0.08 -0.11 0.00 -1.62 0.00 0.00 43.42 42.47 2jnk n LEU 75 CO 0.60 0.11 1.29 0.00 -1.22 0.00 0.00 177.39 178.16 2jnk n LEU 76 N -2.15 3.53 -3.55 2.23 -0.00 -1.24 -4.06 117.00 111.76 2jnk n LEU 76 Ca -0.06 -2.30 -0.26 0.00 -0.00 0.00 0.00 56.01 53.39 2jnk n LEU 76 Cb 0.62 -0.94 0.05 0.00 -0.00 0.00 0.00 43.42 43.14 2jnk n LEU 76 CO 0.08 0.95 -0.03 -0.38 -0.00 0.00 0.00 177.39 178.00 2jnk n ILE 77 N 2.72 -6.82 0.00 1.47 2.08 -1.19 -1.55 119.36 116.07 2jnk n ILE 77 Ca 0.29 -1.02 0.00 0.00 0.56 0.00 0.00 62.75 62.59 2jnk n ILE 77 Cb 0.59 -4.97 0.00 0.00 -0.75 0.00 0.00 39.64 34.51 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 -3.81 0.00 -0.13 0.38 -0.58 -1.16 -4.28 120.64 111.06 2jnk n GLU 78 Ca -0.09 0.00 0.18 0.00 -0.42 0.00 0.00 57.16 56.83 2jnk n GLU 78 Cb 0.60 0.00 0.28 0.00 -0.57 0.00 0.00 31.44 31.74 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 0.01 -2.82 3.49 1.02 -1.26 0.68 120.64 121.76 2jnk n GLU 79 Ca 0.00 0.68 -0.01 0.00 -0.02 0.00 0.00 57.16 57.82 2jnk n GLU 79 Cb 0.00 -1.71 0.05 0.00 -0.02 0.00 0.00 31.44 29.76 2jnk n GLU 79 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2jnk n SER 80 N -2.57 1.43 -0.15 1.62 7.64 -1.26 -4.87 113.62 115.47 2jnk n SER 80 Ca 0.15 -2.08 0.13 0.00 1.01 0.00 0.00 58.87 58.08 2jnk n SER 80 Cb 1.02 -0.43 0.36 0.00 -1.01 0.00 0.00 64.21 64.14 2jnk n SER 80 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2jnk n THR 81 N -0.60 0.00 -0.24 0.44 5.66 0.21 -4.10 114.28 115.66 2jnk n THR 81 Ca 0.06 -0.08 0.29 0.00 -3.05 0.00 0.00 64.05 61.27 2jnk n THR 81 Cb 0.80 0.29 0.69 0.00 -1.55 0.00 0.00 70.33 70.56 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 4.96 0.22 -7.46 1.09 0.00 -1.89 -3.26 103.07 96.72 2jnk h GLY 82 Ca 0.00 -0.04 -0.66 0.00 0.00 0.00 0.00 47.33 46.63 2jnk h GLY 82 CO 0.00 -0.02 1.44 0.99 0.00 0.00 0.00 176.54 178.95 2jnk s ASP 83 N -5.47 6.70 -0.02 0.19 1.01 -1.26 -4.65 116.67 113.17 2jnk s ASP 83 Ca -0.06 -2.07 -0.10 0.00 0.71 0.00 0.00 52.55 51.03 2jnk s ASP 83 Cb 0.22 -2.50 -0.05 0.00 1.01 0.00 0.00 42.92 41.60 2jnk s ASP 83 CO 0.79 -1.19 0.58 -0.26 0.21 0.00 0.00 175.17 175.29 2jnk h PHE 84 N 8.64 -0.33 0.00 4.23 0.04 -1.80 -3.24 116.94 124.49 2jnk h PHE 84 Ca 0.26 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.02 2jnk h PHE 84 Cb 0.96 0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.22 2jnk h PHE 84 CO 1.25 -0.20 0.00 -2.95 -0.60 0.00 0.00 178.31 175.81 2jnk h ASN 85 N -0.69 0.00 0.00 2.17 7.08 -1.90 -3.41 115.58 118.83 2jnk h ASN 85 Ca -0.04 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.18 2jnk h ASN 85 Cb 0.27 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.51 2jnk h ASN 85 CO 0.06 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 176.02 2jnk n GLY 86 N -0.73 1.60 0.29 9.14 0.00 -1.22 -4.87 105.19 109.39 2jnk n GLY 86 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.89 -3.46 115.58 114.20 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 -1.09 1.07 2.65 2.83 0.00 -1.26 -5.08 105.19 104.31 2jnk n GLY 88 Ca -0.03 -0.08 -0.23 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 -0.29 0.04 -0.39 1.61 -2.85 -1.26 -5.08 119.74 111.51 2jnk s LYS 89 Ca 0.00 0.16 -0.14 0.00 -1.00 0.00 0.00 55.97 54.99 2jnk s LYS 89 Cb 0.00 -1.11 0.01 0.00 -2.06 0.00 0.00 37.83 34.68 2jnk s LYS 89 CO 0.00 -0.47 0.27 0.42 0.10 0.00 0.00 175.35 175.67 2jnk s ILE 90 N 2.14 5.13 0.00 3.79 -1.09 -1.26 -4.56 121.20 125.35 2jnk s ILE 90 Ca 0.04 -0.61 0.00 0.00 -2.23 0.00 0.00 60.65 57.85 2jnk s ILE 90 Cb -0.14 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 36.93 2jnk s ILE 90 CO -0.06 -0.23 0.00 -0.67 -1.23 0.00 0.00 174.94 172.75 2jnk n ASP 91 N 5.12 0.00 0.13 3.58 2.03 -1.26 -4.94 116.55 121.21 2jnk n ASP 91 Ca -0.12 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.32 2jnk n ASP 91 Cb 0.47 0.00 0.27 0.00 -0.72 0.00 0.00 41.12 41.14 2jnk n ASP 91 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2jnk h ILE 92 N 0.00 0.00 0.00 5.18 -0.00 -2.00 -3.23 117.51 117.46 2jnk h ILE 92 Ca 0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 64.86 64.20 2jnk h ILE 92 Cb 0.00 1.55 0.00 0.00 -0.00 0.00 0.00 36.82 38.37 2jnk h ILE 92 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.76 2jnk n GLY 93 N 1.25 -0.74 0.13 8.18 0.00 -1.26 -3.11 105.19 109.63 2jnk n GLY 93 Ca 0.04 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.75 1.93 -1.98 1.61 2.03 -1.22 -2.28 116.55 115.89 2jnk n ASP 94 Ca 0.09 0.36 -0.18 0.00 0.52 0.00 0.00 54.79 55.58 2jnk n ASP 94 Cb 0.04 -0.86 0.16 0.00 -0.72 0.00 0.00 41.12 39.74 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 -4.29 5.97 0.00 -2.67 4.77 -1.22 -3.31 117.00 116.25 2jnk n LEU 95 Ca -0.49 -3.17 0.00 0.00 -0.03 0.00 0.00 56.01 52.33 2jnk n LEU 95 Cb 0.83 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2jnk n LEU 95 CO 0.07 0.92 0.00 0.00 -1.33 0.00 0.00 177.39 177.06 2jnk n ALA 96 N -0.76 0.13 -0.45 -1.18 0.00 -1.18 -4.97 120.51 112.10 2jnk n ALA 96 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2jnk n ALA 96 Cb 1.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.88 2jnk n ALA 96 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2jnk n MET 97 N -1.11 0.00 0.21 0.00 2.81 -1.18 -4.19 117.12 113.66 2jnk n MET 97 Ca 0.00 0.17 -0.10 0.00 -1.81 0.00 0.00 57.70 55.97 2jnk n MET 97 Cb 0.00 -0.59 -0.05 0.00 -0.71 0.00 0.00 33.22 31.87 2jnk n MET 97 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 2jnk h VAL 98 N 0.00 0.00 0.00 2.03 3.04 -1.62 -2.52 116.25 117.18 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 0.35 -1.20 -1.01 0.00 0.00 177.57 175.71 2jnk n SER 99 N -3.81 0.19 0.28 3.17 7.64 -1.21 -2.38 113.62 117.51 2jnk n SER 99 Ca -0.07 0.42 -0.11 0.00 1.01 0.00 0.00 58.87 60.11 2jnk n SER 99 Cb 0.25 -0.35 -0.05 0.00 -1.01 0.00 0.00 64.21 63.04 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 -0.72 0.08 1.43 3.11 -1.61 -3.36 116.57 115.50 2jnk h LYS 100 Ca 0.00 0.05 -0.00 0.00 -2.81 0.00 0.00 60.65 57.89 2jnk h LYS 100 Cb 0.71 0.16 0.00 0.00 -1.00 0.00 0.00 32.23 32.10 2jnk h LYS 100 CO 0.00 -0.48 -0.04 -0.91 -2.81 0.00 0.00 179.45 175.21 2jnk h ASN 101 N -0.96 -0.09 -6.08 4.20 2.35 -1.59 -3.49 115.58 109.92 2jnk h ASN 101 Ca -0.08 -0.51 0.00 0.00 -0.55 0.00 0.00 56.30 55.16 2jnk h ASN 101 Cb 0.57 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.96 2jnk h ASN 101 CO 0.12 0.54 -0.08 -0.38 -1.65 0.00 0.00 177.43 175.99 2jnk n ILE 102 N -4.84 -1.06 0.00 2.81 2.08 -1.12 -4.12 119.36 113.11 2jnk n ILE 102 Ca -0.08 0.04 0.00 0.00 0.56 0.00 0.00 62.75 63.27 2jnk n ILE 102 Cb 0.30 -2.50 0.00 0.00 -0.75 0.00 0.00 39.64 36.69 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 2.42 0.44 3.77 7.39 0.00 0.37 -4.69 105.19 114.88 2jnk n GLY 103 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.63 7.42 0.08 1.61 0.15 -1.26 -4.51 113.70 114.56 2jnk s SER 104 Ca 0.00 1.68 0.17 0.00 0.70 0.00 0.00 55.95 58.50 2jnk s SER 104 Cb 0.00 -2.51 -0.12 0.00 -1.71 0.00 0.00 66.02 61.68 2jnk s SER 104 CO 0.00 0.19 0.85 0.35 1.20 0.00 0.00 173.24 175.84 2jnk n THR 105 N 1.66 1.13 -0.16 6.45 -2.24 -1.17 -2.19 114.28 117.75 2jnk n THR 105 Ca -0.05 -0.68 0.08 0.00 -2.27 0.00 0.00 64.05 61.14 2jnk n THR 105 Cb 0.49 -0.70 0.40 0.00 -2.10 0.00 0.00 70.33 68.41 2jnk n THR 105 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2jnk h THR 106 N 0.00 0.97 -3.16 4.28 1.35 -1.93 -3.37 112.91 111.05 2jnk h THR 106 Ca -0.14 -0.22 -0.59 0.00 -0.55 0.00 0.00 66.41 64.91 2jnk h THR 106 Cb 1.52 0.26 -0.10 0.00 -1.73 0.00 0.00 68.15 68.10 2jnk h THR 106 CO 0.04 0.12 0.73 0.20 -0.25 0.00 0.00 175.52 176.36 2jnk s ASN 107 N -6.19 6.37 -0.07 5.36 0.02 -1.26 -4.89 114.94 114.29 2jnk s ASN 107 Ca -0.09 -0.20 -0.05 0.00 -1.02 0.00 0.00 52.86 51.49 2jnk s ASN 107 Cb 0.20 -2.48 -0.02 0.00 0.02 0.00 0.00 41.25 38.97 2jnk s ASN 107 CO 0.77 -1.34 -0.10 0.35 0.02 0.00 0.00 177.10 176.79 2jnk n THR 108 N 6.37 0.63 0.29 1.60 -2.24 -1.26 -4.40 114.28 115.28 2jnk n THR 108 Ca 0.04 0.37 0.18 0.00 -2.27 0.00 0.00 64.05 62.37 2jnk n THR 108 Cb 0.48 -1.89 0.97 0.00 -2.10 0.00 0.00 70.33 67.79 2jnk n THR 108 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jnk h SER 109 N -0.44 0.00 0.24 3.42 0.02 -1.90 0.31 113.55 115.21 2jnk h SER 109 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jnk h SER 109 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2jnk h SER 109 CO 0.00 0.00 0.00 -0.11 -1.14 0.00 0.00 176.83 175.58 2jnk n LEU 110 N -2.82 0.00 -4.14 5.07 7.94 -1.26 -4.55 117.00 117.24 2jnk n LEU 110 Ca -0.02 0.14 -0.34 0.00 -1.11 0.00 0.00 56.01 54.68 2jnk n LEU 110 Cb 0.14 -0.14 -0.14 0.00 0.53 0.00 0.00 43.42 43.81 2jnk n LEU 110 CO 0.16 -0.02 -0.41 -1.81 -1.11 0.00 0.00 177.39 174.20 2jnk s ASP 111 N -2.28 4.54 0.22 1.96 1.11 0.10 -4.81 116.67 117.52 2jnk s ASP 111 Ca 0.34 -1.23 0.10 0.00 0.18 0.00 0.00 52.55 51.94 2jnk s ASP 111 Cb 0.18 -1.63 0.54 0.00 1.07 0.00 0.00 42.92 43.09 2jnk s ASP 111 CO 0.36 -0.20 1.19 0.18 1.18 0.00 0.00 175.17 177.89 2jnk n LEU 112 N 4.56 0.26 -0.00 1.23 4.77 -1.25 0.95 117.00 127.51 2jnk n LEU 112 Ca -0.14 0.51 0.04 0.00 -0.03 0.00 0.00 56.01 56.39 2jnk n LEU 112 Cb 0.44 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 40.98 2jnk n LEU 112 CO 0.24 -0.60 -0.29 0.59 -1.33 0.00 0.00 177.39 176.00 2jnk n ASN 113 N -1.85 1.57 -4.33 -1.43 4.13 -1.25 -2.97 115.26 109.13 2jnk n ASN 113 Ca -0.01 -0.38 -0.38 0.00 1.68 0.00 0.00 54.58 55.49 2jnk n ASN 113 Cb 0.24 1.19 -0.05 0.00 -1.54 0.00 0.00 39.78 39.62 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 -1.49 -2.23 0.00 3.52 -0.00 0.27 -4.40 118.16 113.83 2jnk n LYS 114 Ca 0.00 0.28 0.15 0.00 -0.00 0.00 0.00 58.31 58.74 2jnk n LYS 114 Cb 0.18 -4.89 0.79 0.00 -0.00 0.00 0.00 35.03 31.11 2jnk n LYS 114 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2jnk n ASP 115 N -2.61 0.40 -0.14 -5.58 2.03 -1.26 -4.89 116.55 104.49 2jnk n ASP 115 Ca 0.06 -0.97 0.00 0.00 0.52 0.00 0.00 54.79 54.40 2jnk n ASP 115 Cb 0.49 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 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 1.10 0.94 3.19 0.27 0.00 -1.26 -5.05 105.19 104.37 2jnk n GLY 116 Ca 0.21 -0.54 0.04 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.67 -0.17 -0.43 1.61 0.01 -0.93 -3.06 113.70 108.07 2jnk s SER 117 Ca 0.00 0.17 -0.27 0.00 1.31 0.00 0.00 55.95 57.15 2jnk s SER 117 Cb 0.00 1.17 -0.03 0.00 0.21 0.00 0.00 66.02 67.36 2jnk s SER 117 CO 0.00 -0.03 1.97 -0.63 0.41 0.00 0.00 173.24 174.96 2jnk s ILE 118 N 2.50 3.31 0.00 1.44 -1.09 -1.16 -4.39 121.20 121.80 2jnk s ILE 118 Ca -0.03 0.26 0.00 0.00 -2.23 0.00 0.00 60.65 58.65 2jnk s ILE 118 Cb -0.05 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 2jnk s ILE 118 CO -0.13 -0.44 0.00 0.47 -1.23 0.00 0.00 174.94 173.61 2jnk n ASP 119 N 12.13 0.00 -0.09 3.58 8.00 -1.26 0.14 116.55 139.05 2jnk n ASP 119 Ca 0.25 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.66 2jnk n ASP 119 Cb 0.49 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.65 2jnk n ASP 119 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2jnk h GLU 120 N 0.00 0.80 -0.06 -1.24 5.08 -2.00 -2.91 114.58 114.25 2jnk h GLU 120 Ca 0.00 -0.36 0.02 0.00 -1.00 0.00 0.00 59.36 58.02 2jnk h GLU 120 Cb 0.00 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 2jnk h GLU 120 CO 0.00 0.98 0.27 1.88 -1.00 0.00 0.00 179.01 181.14 2jnk h TYR 121 N 0.68 0.00 0.00 4.33 0.05 -1.95 0.45 116.97 120.53 2jnk h TYR 121 Ca 0.08 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.79 2jnk h TYR 121 Cb 0.82 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.55 2jnk h TYR 121 CO 0.04 0.00 -1.39 0.39 -1.05 0.00 0.00 178.16 176.16 2jnk n GLU 122 N -3.11 0.62 -0.06 4.88 -0.58 -1.10 -3.95 120.64 117.34 2jnk n GLU 122 Ca -0.01 0.08 -0.13 0.00 -0.42 0.00 0.00 57.16 56.68 2jnk n GLU 122 Cb 0.34 -1.75 -0.14 0.00 -0.57 0.00 0.00 31.44 29.32 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 -2.66 1.54 -0.40 -3.67 2.08 0.10 -4.37 119.36 111.98 2jnk n ILE 123 Ca -0.05 -0.76 0.33 0.00 0.56 0.00 0.00 62.75 62.83 2jnk n ILE 123 Cb 0.67 -1.02 0.53 0.00 -0.75 0.00 0.00 39.64 39.07 2jnk n ILE 123 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 2jnk n SER 124 N -3.05 0.11 0.00 4.38 7.64 0.14 0.12 113.62 122.95 2jnk n SER 124 Ca -0.30 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.52 2jnk n SER 124 Cb 1.08 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 2jnk n SER 124 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2jnk n PHE 125 N -3.95 0.00 -0.26 1.43 7.35 -1.26 -4.22 117.46 116.55 2jnk n PHE 125 Ca 0.31 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 57.04 2jnk n PHE 125 Cb 1.26 -0.13 0.17 0.00 0.35 0.00 0.00 39.48 41.13 2jnk n PHE 125 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2jnk h ILE 126 N 0.00 0.78 -0.90 -2.13 2.04 -1.67 0.92 117.51 116.54 2jnk h ILE 126 Ca 0.00 -0.20 0.23 0.00 1.00 0.00 0.00 64.86 65.89 2jnk h ILE 126 Cb 0.00 0.14 -0.13 0.00 -0.74 0.00 0.00 36.82 36.09 2jnk h ILE 126 CO 0.00 0.11 0.39 -1.13 0.00 0.00 0.00 178.15 177.52 2jnk h ASN 127 N 0.58 0.32 0.01 1.72 -0.73 0.67 0.83 115.58 118.99 2jnk h ASN 127 Ca 0.40 0.16 -0.31 0.00 1.87 0.00 0.00 56.30 58.41 2jnk h ASN 127 Cb 0.50 0.14 -0.04 0.00 0.27 0.00 0.00 38.32 39.19 2jnk h ASN 127 CO -0.32 -0.02 -1.72 1.41 -0.37 0.00 0.00 177.43 176.40 2jnk n HIS 128 N -5.06 0.73 -0.38 0.67 8.25 -0.58 -4.22 115.22 114.63 2jnk n HIS 128 Ca 0.23 0.29 0.37 0.00 -0.26 0.00 0.00 57.72 58.35 2jnk n HIS 128 Cb 0.68 -1.08 0.75 0.00 1.12 0.00 0.00 29.99 31.47 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 -0.87 0.01 0.03 -0.41 1.12 0.10 0.43 114.38 114.79 2jnk h ARG 129 Ca -0.46 -0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.41 2jnk h ARG 129 Cb 1.47 -0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.43 2jnk h ARG 129 CO -0.24 0.01 -0.02 0.82 -3.11 0.00 0.00 179.97 177.43 2jnk h ILE 130 N 0.01 0.00 -0.03 1.20 2.04 -1.01 -3.00 117.51 116.73 2jnk h ILE 130 Ca 0.62 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.46 2jnk h ILE 130 Cb 2.46 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2jnk h ILE 130 CO -0.02 0.00 -0.11 -0.07 0.00 0.00 0.00 178.15 177.95 2jnk h LEU 131 N -0.04 0.03 -5.57 1.44 3.38 -1.56 -3.28 115.31 109.71 2jnk h LEU 131 Ca -0.00 -0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.39 2jnk h LEU 131 Cb 0.03 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 40.79 2jnk h LEU 131 CO 0.00 0.15 3.05 0.59 0.09 0.00 0.00 178.44 182.32 2jnk n ASN 132 N -4.39 5.57 -1.45 -0.43 3.02 0.07 -4.15 115.26 113.50 2jnk n ASN 132 Ca -0.02 -2.55 0.04 0.00 -0.03 0.00 0.00 54.58 52.02 2jnk n ASN 132 Cb 0.19 -1.34 0.05 0.00 -0.61 0.00 0.00 39.78 38.07 2jnk n ASN 132 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2jnk n LEU 133 N 4.87 1.33 -5.00 3.41 0.00 -1.24 -4.83 117.00 115.54 2jnk n LEU 133 Ca 0.57 -2.37 -0.20 0.00 0.00 0.00 0.00 56.01 54.01 2jnk n LEU 133 Cb 0.25 -0.05 0.05 0.00 0.00 0.00 0.00 43.42 43.67 2jnk n LEU 133 CO 0.84 0.68 0.33 -0.70 0.00 0.00 0.00 177.39 178.55 2jnk s GLU 134 N -0.74 2.40 -0.23 1.96 2.12 -1.26 -5.05 118.70 117.89 2jnk s GLU 134 Ca 0.34 -1.19 0.06 0.00 0.36 0.00 0.00 54.97 54.54 2jnk s GLU 134 Cb 0.38 -2.58 -0.19 0.00 0.26 0.00 0.00 34.13 32.01 2jnk s GLU 134 CO -0.15 -0.76 -0.14 1.58 -0.54 0.00 0.00 175.26 175.25 2jnk n HIS 135 N -2.27 0.00 -0.56 5.30 -0.00 -1.26 -5.00 115.22 111.43 2jnk n HIS 135 Ca 0.11 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.55 2jnk n HIS 135 Cb 0.60 -0.96 0.26 0.00 -0.00 0.00 0.00 29.99 29.88 2jnk n HIS 135 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jnk s HIS 136 N -2.49 1.24 -0.07 1.57 4.02 -1.26 -5.03 115.29 113.26 2jnk s HIS 136 Ca -0.27 1.09 0.05 0.00 1.02 0.00 0.00 55.06 56.95 2jnk s HIS 136 Cb 0.08 -3.09 -0.01 0.00 -1.02 0.00 0.00 32.58 28.54 2jnk s HIS 136 CO 0.64 -3.98 -0.23 -3.38 1.02 0.00 0.00 174.74 168.81 2jnk s HIS 137 N -2.47 2.52 0.00 1.40 -3.43 -1.26 -5.12 115.29 106.93 2jnk s HIS 137 Ca 0.68 -0.75 0.00 0.00 -0.80 0.00 0.00 55.06 54.19 2jnk s HIS 137 Cb -0.24 -1.65 0.00 0.00 -1.43 0.00 0.00 32.58 29.26 2jnk s HIS 137 CO 0.64 -0.24 0.00 1.58 -2.00 0.00 0.00 174.74 174.73 2jnk n HIS 138 N 3.09 -0.35 -3.45 0.38 -0.00 -1.26 -5.18 115.22 108.46 2jnk n HIS 138 Ca -0.18 -0.01 0.02 0.00 -0.00 0.00 0.00 57.72 57.55 2jnk n HIS 138 Cb 0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.46 2jnk n HIS 138 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jnk s HIS 139 N -4.39 -0.30 -2.00 1.57 2.46 -1.26 -5.29 115.29 106.08 2jnk s HIS 139 Ca 0.00 0.55 0.13 0.00 0.47 0.00 0.00 55.06 56.21 2jnk s HIS 139 Cb -0.00 0.18 0.80 0.00 -0.13 0.00 0.00 32.58 33.43 2jnk s HIS 139 CO 0.00 -0.15 1.23 1.58 -2.47 0.00 0.00 174.74 174.93