#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 4.65 -0.28 3.17 -4.77 -1.26 -4.32 116.67 113.86 2jnk s ASP 2 Ca 0.00 -0.68 0.19 0.00 -3.30 0.00 0.00 52.55 48.76 2jnk s ASP 2 Cb 0.00 0.28 0.49 0.00 -1.09 0.00 0.00 42.92 42.60 2jnk s ASP 2 CO 0.00 -1.67 1.09 2.29 0.70 0.00 0.00 175.17 177.58 2jnk n LYS 3 N -2.57 1.91 -0.03 2.11 2.85 -1.26 -4.43 118.16 116.73 2jnk n LYS 3 Ca 0.16 -3.58 -0.14 0.00 -1.05 0.00 0.00 58.31 53.71 2jnk n LYS 3 Cb 0.61 -1.64 -0.11 0.00 -0.65 0.00 0.00 35.03 33.24 2jnk n LYS 3 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 2jnk h THR 4 N 4.58 1.53 -1.11 0.58 2.02 -1.95 -1.67 112.91 116.89 2jnk h THR 4 Ca -0.05 -1.69 0.31 0.00 0.77 0.00 0.00 66.41 65.75 2jnk h THR 4 Cb 1.27 2.63 -0.10 0.00 -1.74 0.00 0.00 68.15 70.21 2jnk h THR 4 CO 0.34 0.45 0.71 0.78 0.37 0.00 0.00 175.52 178.17 2jnk h ASN 5 N -0.59 0.39 0.00 4.18 -0.26 -1.96 1.14 115.58 118.49 2jnk h ASN 5 Ca -0.01 0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 2jnk h ASN 5 Cb 0.78 0.04 0.00 0.00 -1.06 0.00 0.00 38.32 38.08 2jnk h ASN 5 CO 0.02 0.01 -0.10 -0.07 -1.06 0.00 0.00 177.43 176.23 2jnk h LEU 6 N 0.31 0.00 -1.59 1.61 4.07 -1.95 -2.25 115.31 115.51 2jnk h LEU 6 Ca 0.65 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.68 2jnk h LEU 6 Cb 1.79 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.52 2jnk h LEU 6 CO -0.33 0.28 0.57 1.23 -1.08 0.00 0.00 178.44 179.11 2jnk h GLY 7 N -0.46 0.00 0.53 0.83 0.00 -1.02 1.75 103.07 104.70 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 -1.43 -2.21 0.00 0.00 0.00 176.54 172.90 2jnk n GLU 8 N -3.12 0.60 -0.10 4.80 4.07 0.39 -3.31 120.64 123.96 2jnk n GLU 8 Ca 0.04 -0.03 -0.12 0.00 -0.06 0.00 0.00 57.16 57.00 2jnk n GLU 8 Cb 0.67 -1.68 -0.14 0.00 -0.06 0.00 0.00 31.44 30.24 2jnk n GLU 8 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2jnk n LEU 9 N -2.43 0.79 0.03 4.31 4.77 0.33 -4.48 117.00 120.31 2jnk n LEU 9 Ca -0.02 -0.04 -0.20 0.00 -0.03 0.00 0.00 56.01 55.73 2jnk n LEU 9 Cb 0.55 0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.66 2jnk n LEU 9 CO 0.43 0.59 0.11 0.16 -1.33 0.00 0.00 177.39 177.35 2jnk h ILE 10 N 0.00 1.28 -0.95 -0.08 3.07 0.19 -1.63 117.51 119.40 2jnk h ILE 10 Ca -0.53 -2.20 0.22 0.00 1.55 0.00 0.00 64.86 63.90 2jnk h ILE 10 Cb 2.11 2.33 -0.18 0.00 -0.27 0.00 0.00 36.82 40.81 2jnk h ILE 10 CO -0.00 0.68 -0.11 -0.55 -1.05 0.00 0.00 178.15 177.12 2jnk h ASN 11 N 0.39 -0.67 0.84 2.16 7.08 -1.70 0.86 115.58 124.55 2jnk h ASN 11 Ca -0.12 0.28 -0.23 0.00 -3.08 0.00 0.00 56.30 53.15 2jnk h ASN 11 Cb 1.64 0.53 -0.04 0.00 -2.08 0.00 0.00 38.32 38.37 2jnk h ASN 11 CO 0.20 -0.32 -1.23 0.06 -2.08 0.00 0.00 177.43 174.05 2jnk h GLN 12 N 0.01 0.00 0.24 4.14 3.07 -1.80 -3.29 115.11 117.49 2jnk h GLN 12 Ca 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 59.24 2jnk h GLN 12 Cb 0.92 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.47 2jnk h GLN 12 CO -0.93 0.74 -0.19 0.78 0.09 0.00 0.00 178.83 179.32 2jnk h GLY 13 N 3.26 -0.80 1.04 0.06 0.00 0.17 0.56 103.07 107.35 2jnk h GLY 13 Ca -0.11 0.35 0.12 0.00 0.00 0.00 0.00 47.33 47.68 2jnk h GLY 13 CO 0.10 -0.27 0.37 0.07 0.00 0.00 0.00 176.54 176.81 2jnk h LYS 14 N -0.41 0.00 -0.04 4.80 -0.00 -1.13 1.03 116.57 120.81 2jnk h LYS 14 Ca -0.03 0.00 -0.14 0.00 -0.00 0.00 0.00 60.65 60.48 2jnk h LYS 14 Cb 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.56 2jnk h LYS 14 CO 0.01 0.00 -0.62 1.03 -0.00 0.00 0.00 179.45 179.87 2jnk h SER 15 N 0.00 0.17 0.40 7.07 0.87 -1.45 -1.13 113.55 119.47 2jnk h SER 15 Ca 0.19 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 2jnk h SER 15 Cb 0.92 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 2jnk h SER 15 CO -0.00 0.75 -0.19 -0.07 -0.53 0.00 0.00 176.83 176.78 2jnk h LEU 16 N 0.11 -0.46 -2.17 2.23 3.38 0.64 -0.07 115.31 118.97 2jnk h LEU 16 Ca -0.01 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.92 2jnk h LEU 16 Cb 1.12 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2jnk h LEU 16 CO 0.09 -0.02 0.28 -0.07 0.09 0.00 0.00 178.44 178.81 2jnk h LEU 17 N -1.03 0.00 0.00 1.67 -0.00 -0.98 0.32 115.31 115.29 2jnk h LEU 17 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 2jnk h LEU 17 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.18 2jnk h LEU 17 CO 0.09 0.00 -0.99 0.47 -0.00 0.00 0.00 178.44 178.01 2jnk n ASP 18 N -3.54 0.63 -0.03 -0.43 9.92 -0.43 -4.63 116.55 118.04 2jnk n ASP 18 Ca 0.02 -0.06 -0.03 0.00 -0.53 0.00 0.00 54.79 54.20 2jnk n ASP 18 Cb 0.40 0.68 -0.01 0.00 -0.64 0.00 0.00 41.12 41.55 2jnk n ASP 18 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2jnk n GLU 19 N -2.11 0.17 -1.56 -1.24 2.13 0.84 -4.90 120.64 113.97 2jnk n GLU 19 Ca 0.02 0.07 -0.43 0.00 0.66 0.00 0.00 57.16 57.47 2jnk n GLU 19 Cb 0.46 -0.75 -0.04 0.00 0.27 0.00 0.00 31.44 31.38 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 -3.17 2.79 -4.83 4.31 3.41 0.41 -4.93 113.62 111.61 2jnk n SER 20 Ca -0.04 0.08 -0.34 0.00 -0.26 0.00 0.00 58.87 58.31 2jnk n SER 20 Cb 0.16 -1.50 -0.06 0.00 -0.26 0.00 0.00 64.21 62.55 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 9.03 5.05 -0.44 -3.33 0.11 -1.25 -4.75 120.40 124.81 2jnk s VAL 21 Ca 1.03 -0.21 -0.29 0.00 -2.93 0.00 0.00 61.98 59.58 2jnk s VAL 21 Cb -0.41 -3.29 0.01 0.00 -1.53 0.00 0.00 36.38 31.16 2jnk s VAL 21 CO 0.36 0.41 1.38 -1.83 -3.33 0.00 0.00 175.10 172.09 2jnk s GLU 22 N -1.61 3.55 0.00 1.54 4.04 -1.25 -0.99 118.70 123.98 2jnk s GLU 22 Ca 0.22 0.83 0.00 0.00 0.04 0.00 0.00 54.97 56.06 2jnk s GLU 22 Cb -0.12 -4.02 0.00 0.00 0.02 0.00 0.00 34.13 30.00 2jnk s GLU 22 CO 0.13 -1.60 0.00 0.41 -1.84 0.00 0.00 175.26 172.36 2jnk n GLY 23 N 5.08 0.57 0.00 -3.83 0.00 0.78 -4.75 105.19 103.04 2jnk n GLY 23 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 1.61 1.16 -1.25 -4.71 117.46 114.27 2jnk n PHE 24 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2jnk n PHE 24 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 2jnk n PHE 24 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 2jnk n ASN 25 N 0.00 0.00 -4.59 5.98 0.23 -1.17 -3.11 115.26 112.60 2jnk n ASN 25 Ca 0.00 0.00 -0.52 0.00 -0.53 0.00 0.00 54.58 53.53 2jnk n ASN 25 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 2jnk n ASN 25 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 2jnk n VAL 26 N -0.25 0.02 0.00 3.53 3.14 -1.26 -0.12 118.33 123.40 2jnk n VAL 26 Ca 0.00 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 2jnk n VAL 26 Cb 0.00 -0.83 0.00 0.00 -1.06 0.00 0.00 33.84 31.95 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 2.52 2.33 2.85 7.55 0.00 -0.74 -5.01 105.19 114.70 2jnk n GLY 27 Ca 0.18 0.00 -0.13 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 -0.83 -0.00 0.56 1.61 2.02 0.83 -3.88 118.70 119.01 2jnk s GLU 28 Ca 0.00 0.05 0.09 0.00 0.02 0.00 0.00 54.97 55.13 2jnk s GLU 28 Cb 0.00 -0.05 0.08 0.00 0.10 0.00 0.00 34.13 34.25 2jnk s GLU 28 CO 0.00 -0.04 0.77 1.52 0.02 0.00 0.00 175.26 177.53 2jnk s TYR 29 N 0.25 1.58 -0.76 1.61 1.13 -0.16 -3.02 117.35 117.97 2jnk s TYR 29 Ca -0.02 -0.68 0.03 0.00 -1.41 0.00 0.00 57.07 54.99 2jnk s TYR 29 Cb -0.03 -2.25 0.23 0.00 -1.10 0.00 0.00 41.96 38.81 2jnk s TYR 29 CO -0.01 -1.08 0.78 1.58 -2.51 0.00 0.00 175.55 174.31 2jnk n HIS 30 N -2.21 3.52 -1.25 -3.49 -0.00 -1.26 0.27 115.22 110.80 2jnk n HIS 30 Ca 0.15 -4.01 0.14 0.00 0.46 0.00 0.00 57.72 54.45 2jnk n HIS 30 Cb 0.61 -0.77 -0.07 0.00 -0.12 0.00 0.00 29.99 29.64 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 1.47 -2.60 0.00 1.57 5.02 -1.26 -4.55 118.16 117.80 2jnk n LYS 31 Ca 0.25 2.10 0.00 0.00 -2.02 0.00 0.00 58.31 58.65 2jnk n LYS 31 Cb 0.38 -3.17 0.00 0.00 -0.02 0.00 0.00 35.03 32.22 2jnk n LYS 31 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jnk n GLY 32 N -4.03 2.54 0.05 0.72 0.00 -1.26 -4.87 105.19 98.33 2jnk n GLY 32 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 -0.02 4.61 0.00 -1.95 -3.40 119.26 118.50 2jnk h ALA 33 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2jnk h ALA 33 Cb 0.00 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jnk h ALA 33 CO 0.00 0.29 0.00 1.63 0.00 0.00 0.00 179.25 181.17 2jnk n LYS 34 N -3.87 0.00 -0.03 0.00 5.02 -1.26 -2.34 118.16 115.68 2jnk n LYS 34 Ca -0.04 0.71 -0.01 0.00 -2.02 0.00 0.00 58.31 56.95 2jnk n LYS 34 Cb 0.15 -1.07 -0.01 0.00 -0.02 0.00 0.00 35.03 34.09 2jnk n LYS 34 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2jnk n ASP 35 N -2.70 -0.06 0.00 4.39 9.92 -1.26 -0.81 116.55 126.03 2jnk n ASP 35 Ca 0.00 0.77 0.00 0.00 -0.53 0.00 0.00 54.79 55.03 2jnk n ASP 35 Cb 0.00 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.14 2jnk n ASP 35 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jnk n GLY 36 N -1.02 -1.00 0.29 0.44 0.00 -0.99 0.39 105.19 103.30 2jnk n GLY 36 Ca 0.00 0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.32 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 0.07 -0.20 0.99 5.85 -1.62 -0.11 115.31 120.29 2jnk h LEU 37 Ca 0.00 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 2jnk h LEU 37 Cb 0.00 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2jnk h LEU 37 CO 0.00 -0.05 0.11 0.00 -0.34 0.00 0.00 178.44 178.17 2jnk h THR 38 N 0.29 1.10 -0.98 1.05 1.03 0.50 0.43 112.91 116.32 2jnk h THR 38 Ca 0.47 -0.25 0.20 0.00 -0.01 0.00 0.00 66.41 66.82 2jnk h THR 38 Cb 0.84 0.90 -0.09 0.00 -1.07 0.00 0.00 68.15 68.73 2jnk h THR 38 CO -0.54 0.09 0.62 0.58 -0.01 0.00 0.00 175.52 176.26 2jnk h VAL 39 N 0.23 0.67 0.00 0.00 2.07 0.92 1.80 116.25 121.94 2jnk h VAL 39 Ca 0.07 -0.21 -0.16 0.00 0.82 0.00 0.00 66.70 67.22 2jnk h VAL 39 Cb 0.05 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 2jnk h VAL 39 CO -0.01 0.11 -0.82 1.05 0.02 0.00 0.00 177.57 177.92 2jnk h GLU 40 N 0.61 0.00 0.55 1.57 -0.00 -0.68 -1.81 114.58 114.83 2jnk h GLU 40 Ca 0.55 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.88 2jnk h GLU 40 Cb 1.06 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.82 2jnk h GLU 40 CO -0.31 0.71 -0.27 0.82 -0.00 0.00 0.00 179.01 179.96 2jnk h ILE 41 N 0.00 0.00 -0.92 -1.06 1.08 0.56 4.08 117.51 121.25 2jnk h ILE 41 Ca -0.03 -0.30 0.23 0.00 -0.39 0.00 0.00 64.86 64.37 2jnk h ILE 41 Cb 1.59 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 35.21 2jnk h ILE 41 CO 0.09 0.00 0.43 0.78 -0.69 0.00 0.00 178.15 178.76 2jnk h ASN 42 N -1.05 0.38 1.77 1.72 2.35 0.21 0.78 115.58 121.74 2jnk h ASN 42 Ca -0.08 0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 2jnk h ASN 42 Cb 0.57 0.13 -0.00 0.00 0.05 0.00 0.00 38.32 39.06 2jnk h ASN 42 CO 0.13 -0.00 -0.23 0.50 -1.65 0.00 0.00 177.43 176.17 2jnk h LYS 43 N 0.41 0.00 0.00 0.81 3.64 -1.16 -3.28 116.57 116.99 2jnk h LYS 43 Ca 0.58 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 2jnk h LYS 43 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2jnk h LYS 43 CO -0.53 0.14 -0.02 0.00 -2.27 0.00 0.00 179.45 176.77 2jnk h ALA 44 N 1.85 0.00 -0.91 5.00 0.00 1.41 -3.33 119.26 123.29 2jnk h ALA 44 Ca -0.01 -0.02 0.25 0.00 0.00 0.00 0.00 54.91 55.14 2jnk h ALA 44 Cb 1.12 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 2jnk h ALA 44 CO 0.02 0.02 0.36 0.93 0.00 0.00 0.00 179.25 180.57 2jnk h GLU 45 N -0.92 0.29 -0.17 0.00 5.08 -0.69 1.76 114.58 119.93 2jnk h GLU 45 Ca 0.00 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2jnk h GLU 45 Cb 0.02 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2jnk h GLU 45 CO 0.00 0.19 0.25 1.05 -1.00 0.00 0.00 179.01 179.50 2jnk h GLU 46 N 0.29 0.00 0.03 2.33 4.11 -1.71 -0.76 114.58 118.88 2jnk h GLU 46 Ca 0.59 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 59.65 2jnk h GLU 46 Cb 1.22 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 2jnk h GLU 46 CO -0.61 0.00 -2.16 0.28 0.07 0.00 0.00 179.01 176.59 2jnk n VAL 47 N -3.54 1.58 -0.15 -1.06 0.31 0.56 -3.47 118.33 112.56 2jnk n VAL 47 Ca 0.01 -0.45 -0.04 0.00 -0.01 0.00 0.00 64.34 63.86 2jnk n VAL 47 Cb 0.36 -1.72 0.03 0.00 -0.91 0.00 0.00 33.84 31.60 2jnk n VAL 47 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2jnk h PHE 48 N -0.40 -0.36 -0.38 3.52 3.57 0.55 0.32 116.94 123.77 2jnk h PHE 48 Ca -0.53 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.02 2jnk h PHE 48 Cb 1.76 0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.74 2jnk h PHE 48 CO 0.03 -0.24 0.00 0.09 -2.23 0.00 0.00 178.31 175.95 2jnk n ASN 49 N -5.37 2.39 -4.92 0.41 3.02 -0.38 -4.85 115.26 105.55 2jnk n ASN 49 Ca 0.04 -2.10 -0.26 0.00 -0.03 0.00 0.00 54.58 52.23 2jnk n ASN 49 Cb 0.28 -0.33 0.04 0.00 -0.61 0.00 0.00 39.78 39.16 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 -1.57 2.77 -0.00 3.52 2.20 0.11 -5.01 119.74 121.76 2jnk s LYS 50 Ca 0.27 -0.12 0.15 0.00 -0.36 0.00 0.00 55.97 55.91 2jnk s LYS 50 Cb 0.15 -2.28 -0.19 0.00 -1.51 0.00 0.00 37.83 34.01 2jnk s LYS 50 CO 0.16 -0.79 0.70 -1.91 -0.36 0.00 0.00 175.35 173.15 2jnk n GLU 51 N -2.61 0.63 -0.35 4.03 2.13 -1.26 -3.80 120.64 119.41 2jnk n GLU 51 Ca 0.05 0.23 0.05 0.00 0.66 0.00 0.00 57.16 58.16 2jnk n GLU 51 Cb 0.58 -1.78 0.20 0.00 0.27 0.00 0.00 31.44 30.72 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 -2.94 2.87 -1.72 4.31 8.00 -1.26 -4.35 116.55 121.46 2jnk n ASP 52 Ca -0.14 -2.24 -0.01 0.00 0.71 0.00 0.00 54.79 53.10 2jnk n ASP 52 Cb 0.95 -0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 41.60 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 0.54 3.61 -1.16 2.24 0.00 -1.25 -2.99 120.51 121.49 2jnk n ALA 53 Ca 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2jnk n ALA 53 Cb 0.55 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.80 0.00 0.41 0.00 -2.24 -1.26 -4.03 114.28 108.97 2jnk n THR 54 Ca 0.05 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 2jnk n THR 54 Cb 0.42 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.76 2jnk n THR 54 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2jnk h GLU 55 N 0.00 0.00 0.00 -0.78 4.57 -1.87 -3.31 114.58 113.18 2jnk h GLU 55 Ca 0.00 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.99 2jnk h GLU 55 Cb 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 2jnk h GLU 55 CO 0.00 0.00 -1.45 0.39 -1.18 0.00 0.00 179.01 176.77 2jnk n GLU 56 N -2.32 0.54 0.25 1.92 1.02 -1.26 -4.54 120.64 116.25 2jnk n GLU 56 Ca 0.02 0.34 0.16 0.00 -0.02 0.00 0.00 57.16 57.66 2jnk n GLU 56 Cb 0.48 -1.55 0.55 0.00 -0.02 0.00 0.00 31.44 30.90 2jnk n GLU 56 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2jnk h GLU 57 N -1.00 0.00 0.00 3.49 4.57 -1.76 -3.14 114.58 116.74 2jnk h GLU 57 Ca -0.28 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 2jnk h GLU 57 Cb 1.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 2jnk h GLU 57 CO -0.17 0.00 0.00 -0.89 -1.18 0.00 0.00 179.01 176.77 2jnk n ILE 58 N -3.03 0.00 -0.29 2.32 2.08 -1.25 -1.02 119.36 118.17 2jnk n ILE 58 Ca 0.02 0.82 0.32 0.00 0.56 0.00 0.00 62.75 64.47 2jnk n ILE 58 Cb 0.36 -1.62 0.71 0.00 -0.75 0.00 0.00 39.64 38.34 2jnk n ILE 58 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 2jnk h ASN 59 N 0.00 0.07 0.05 4.38 2.35 -1.80 1.91 115.58 122.54 2jnk h ASN 59 Ca 0.00 0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.64 2jnk h ASN 59 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2jnk h ASN 59 CO 0.00 0.01 -0.40 -0.07 -1.65 0.00 0.00 177.43 175.32 2jnk h LEU 60 N 0.06 0.47 0.00 1.61 3.38 -1.58 0.22 115.31 119.47 2jnk h LEU 60 Ca 0.54 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2jnk h LEU 60 Cb 2.04 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.66 2jnk h LEU 60 CO -0.05 0.82 -1.52 0.00 0.09 0.00 0.00 178.44 177.78 2jnk n ALA 61 N -2.49 2.92 -0.03 1.53 0.00 0.46 -4.39 120.51 118.51 2jnk n ALA 61 Ca -0.01 -0.43 -0.16 0.00 0.00 0.00 0.00 53.44 52.84 2jnk n ALA 61 Cb 0.50 -0.88 -0.14 0.00 0.00 0.00 0.00 19.45 18.92 2jnk n ALA 61 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2jnk n LYS 62 N -2.29 0.70 0.24 0.00 2.85 0.54 -4.08 118.16 116.12 2jnk n LYS 62 Ca -0.02 0.24 0.17 0.00 -1.05 0.00 0.00 58.31 57.65 2jnk n LYS 62 Cb 0.53 -1.70 0.78 0.00 -0.65 0.00 0.00 35.03 33.98 2jnk n LYS 62 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2jnk h GLU 63 N 0.03 0.00 0.00 -1.58 4.81 -0.74 0.88 114.58 117.99 2jnk h GLU 63 Ca -0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2jnk h GLU 63 Cb 2.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.41 2jnk h GLU 63 CO 0.06 0.00 -0.86 -1.13 -0.73 0.00 0.00 179.01 176.35 2jnk n SER 64 N -3.20 0.80 -0.10 1.04 3.41 -1.26 -4.31 113.62 110.00 2jnk n SER 64 Ca 0.02 -0.69 -0.17 0.00 -0.26 0.00 0.00 58.87 57.76 2jnk n SER 64 Cb 0.48 0.77 -0.07 0.00 -0.26 0.00 0.00 64.21 65.13 2jnk n SER 64 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2jnk n LEU 65 N -1.55 1.90 -0.19 1.04 7.94 0.29 -3.62 117.00 122.81 2jnk n LEU 65 Ca 0.04 0.42 -0.08 0.00 -1.11 0.00 0.00 56.01 55.28 2jnk n LEU 65 Cb 0.34 -0.85 -0.03 0.00 0.53 0.00 0.00 43.42 43.42 2jnk n LEU 65 CO 0.40 0.06 0.58 1.05 -1.11 0.00 0.00 177.39 178.38 2jnk h GLU 66 N -1.00 -0.23 -0.04 1.96 4.11 -1.31 0.71 114.58 118.79 2jnk h GLU 66 Ca -0.29 0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.15 2jnk h GLU 66 Cb 1.15 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2jnk h GLU 66 CO -0.18 -0.15 0.00 0.41 0.07 0.00 0.00 179.01 179.16 2jnk n GLY 67 N -1.41 -0.69 0.11 1.06 0.00 -1.26 -3.17 105.19 99.83 2jnk n GLY 67 Ca 0.02 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.54 0.91 -0.25 4.61 0.00 0.21 -4.02 120.51 121.42 2jnk n ALA 68 Ca 0.16 -0.80 -0.01 0.00 0.00 0.00 0.00 53.44 52.79 2jnk n ALA 68 Cb 0.14 -0.04 0.11 0.00 0.00 0.00 0.00 19.45 19.65 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 -1.00 0.98 -0.45 0.00 3.07 -0.44 0.36 117.51 120.04 2jnk h ILE 69 Ca -0.32 -0.25 0.13 0.00 1.55 0.00 0.00 64.86 65.97 2jnk h ILE 69 Cb 1.20 0.18 -0.02 0.00 -0.27 0.00 0.00 36.82 37.91 2jnk h ILE 69 CO -0.19 0.14 0.60 0.00 -1.05 0.00 0.00 178.15 177.64 2jnk h ALA 70 N 1.36 2.16 0.00 0.16 0.00 -1.74 0.77 119.26 121.97 2jnk h ALA 70 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2jnk h ALA 70 Cb 0.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jnk h ALA 70 CO -0.18 -0.84 -0.42 0.00 0.00 0.00 0.00 179.25 177.82 2jnk h ARG 71 N 0.00 0.00 -1.17 0.00 -0.00 -0.45 -3.36 114.38 109.40 2jnk h ARG 71 Ca 0.21 0.00 0.33 0.00 -0.50 0.00 0.00 59.98 60.03 2jnk h ARG 71 Cb 1.42 0.00 -0.08 0.00 0.00 0.00 0.00 29.97 31.31 2jnk h ARG 71 CO -0.00 0.00 0.80 0.35 0.00 0.00 0.00 179.97 181.11 2jnk h PHE 72 N -0.85 0.35 -0.40 3.04 3.57 -0.76 0.80 116.94 122.70 2jnk h PHE 72 Ca 0.00 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2jnk h PHE 72 Cb 0.42 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 2jnk h PHE 72 CO -0.18 -0.00 0.11 -0.91 -2.23 0.00 0.00 178.31 175.10 2jnk h ASN 73 N 0.18 0.53 -0.83 0.41 2.35 -1.05 -2.58 115.58 114.59 2jnk h ASN 73 Ca 0.63 -0.07 -0.56 0.00 -0.55 0.00 0.00 56.30 55.75 2jnk h ASN 73 Cb 2.04 -0.14 -0.31 0.00 0.05 0.00 0.00 38.32 39.96 2jnk h ASN 73 CO -0.19 0.52 0.18 -1.54 -1.65 0.00 0.00 177.43 174.75 2jnk n SER 74 N -4.34 5.79 -0.05 5.81 3.41 0.28 -4.45 113.62 120.06 2jnk n SER 74 Ca 0.02 -3.77 -0.05 0.00 -0.26 0.00 0.00 58.87 54.82 2jnk n SER 74 Cb 0.18 -0.72 -0.09 0.00 -0.26 0.00 0.00 64.21 63.32 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 -0.90 0.00 -2.23 1.04 7.99 -0.97 -4.30 117.00 117.64 2jnk n LEU 75 Ca 0.53 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 56.42 2jnk n LEU 75 Cb 0.89 0.27 -0.12 0.00 -0.11 0.00 0.00 43.42 44.35 2jnk n LEU 75 CO 0.57 0.27 1.44 0.00 -1.51 0.00 0.00 177.39 178.15 2jnk n LEU 76 N -2.40 4.03 -3.57 2.23 -0.00 -1.26 -4.14 117.00 111.90 2jnk n LEU 76 Ca -0.18 -2.54 -0.26 0.00 -0.00 0.00 0.00 56.01 53.03 2jnk n LEU 76 Cb 0.84 -1.05 0.05 0.00 -0.00 0.00 0.00 43.42 43.26 2jnk n LEU 76 CO 0.24 1.11 -0.04 -0.38 -0.00 0.00 0.00 177.39 178.32 2jnk n ILE 77 N 2.75 -6.67 0.00 1.47 2.08 -0.82 -1.79 119.36 116.38 2jnk n ILE 77 Ca 0.33 -0.97 0.00 0.00 0.56 0.00 0.00 62.75 62.67 2jnk n ILE 77 Cb 0.63 -4.87 0.00 0.00 -0.75 0.00 0.00 39.64 34.65 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 0.11 0.38 -0.58 -1.10 -4.24 120.64 111.39 2jnk n GLU 78 Ca -0.09 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.75 2jnk n GLU 78 Cb 0.59 0.00 0.16 0.00 -0.57 0.00 0.00 31.44 31.62 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 -0.98 3.49 1.02 -1.26 0.13 120.64 123.06 2jnk n GLU 79 Ca 0.00 0.93 0.05 0.00 -0.02 0.00 0.00 57.16 58.11 2jnk n GLU 79 Cb 0.00 -2.42 0.10 0.00 -0.02 0.00 0.00 31.44 29.09 2jnk n GLU 79 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2jnk n SER 80 N -2.68 1.28 0.04 1.62 2.88 -1.26 -4.78 113.62 110.71 2jnk n SER 80 Ca 0.09 -2.80 0.12 0.00 -1.33 0.00 0.00 58.87 54.94 2jnk n SER 80 Cb 1.15 -0.39 0.22 0.00 -0.75 0.00 0.00 64.21 64.44 2jnk n SER 80 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2jnk n THR 81 N -0.29 0.21 -0.09 2.46 5.66 0.34 -4.02 114.28 118.55 2jnk n THR 81 Ca 0.11 -0.16 0.26 0.00 -3.05 0.00 0.00 64.05 61.21 2jnk n THR 81 Cb 0.90 -0.02 0.68 0.00 -1.55 0.00 0.00 70.33 70.35 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 4.71 0.00 -7.45 1.09 0.00 -1.87 -3.24 103.07 96.30 2jnk h GLY 82 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 2jnk h GLY 82 CO 0.00 0.00 2.38 2.09 0.00 0.00 0.00 176.54 181.01 2jnk n ASP 83 N -3.75 4.65 0.28 0.19 5.68 -1.26 -4.56 116.55 117.78 2jnk n ASP 83 Ca 0.16 -2.90 -0.12 0.00 -0.50 0.00 0.00 54.79 51.43 2jnk n ASP 83 Cb 0.99 -1.73 -0.06 0.00 -1.14 0.00 0.00 41.12 39.18 2jnk n ASP 83 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 2jnk h PHE 84 N 7.30 -0.75 0.00 2.11 0.04 -1.81 -2.35 116.94 121.47 2jnk h PHE 84 Ca 0.47 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.23 2jnk h PHE 84 Cb 0.82 0.26 0.00 0.00 2.20 0.00 0.00 35.95 39.23 2jnk h PHE 84 CO 1.43 -0.44 0.00 -0.91 -0.60 0.00 0.00 178.31 177.79 2jnk h ASN 85 N -0.74 0.00 0.00 2.17 2.35 -1.87 -3.41 115.58 114.08 2jnk h ASN 85 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2jnk h ASN 85 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 2jnk h ASN 85 CO 0.09 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.48 2jnk n GLY 86 N -0.98 0.87 0.13 2.83 0.00 -0.89 -4.86 105.19 102.30 2jnk n GLY 86 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.87 -3.48 115.58 114.19 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 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2jnk h ASN 87 CO 0.00 0.51 0.00 0.61 -1.65 0.00 0.00 177.43 176.90 2jnk n GLY 88 N 1.27 1.72 3.02 2.83 0.00 -1.26 -5.11 105.19 107.67 2jnk n GLY 88 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.35 2.21 -0.54 1.61 -2.85 -1.26 -5.04 119.74 113.52 2jnk s LYS 89 Ca 0.00 -0.86 0.00 0.00 -1.00 0.00 0.00 55.97 54.12 2jnk s LYS 89 Cb 0.00 -2.44 0.14 0.00 -2.06 0.00 0.00 37.83 33.46 2jnk s LYS 89 CO 0.00 -0.39 0.31 0.42 0.10 0.00 0.00 175.35 175.79 2jnk s ILE 90 N 1.36 3.11 0.13 3.79 -1.09 -1.26 -4.58 121.20 122.67 2jnk s ILE 90 Ca -0.00 -2.95 0.00 0.00 -2.23 0.00 0.00 60.65 55.46 2jnk s ILE 90 Cb -0.16 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.62 2jnk s ILE 90 CO -0.09 -0.80 0.00 -0.67 -1.23 0.00 0.00 174.94 172.15 2jnk n ASP 91 N 3.52 -1.13 0.09 3.58 -0.08 -1.26 -4.87 116.55 116.40 2jnk n ASP 91 Ca 0.05 0.42 0.02 0.00 -1.51 0.00 0.00 54.79 53.78 2jnk n ASP 91 Cb 0.36 1.30 -0.02 0.00 2.34 0.00 0.00 41.12 45.10 2jnk n ASP 91 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2jnk h ILE 92 N 0.00 0.59 0.00 5.18 2.10 -1.98 -3.28 117.51 120.11 2jnk h ILE 92 Ca 0.00 -1.96 0.00 0.00 1.08 0.00 0.00 64.86 63.98 2jnk h ILE 92 Cb 0.00 2.14 0.00 0.00 -1.09 0.00 0.00 36.82 37.87 2jnk h ILE 92 CO 0.00 0.33 0.00 0.61 -1.08 0.00 0.00 178.15 178.01 2jnk n GLY 93 N 1.30 -0.73 0.08 8.18 0.00 -1.26 -2.75 105.19 110.01 2jnk n GLY 93 Ca -0.04 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 0.07 -0.39 1.61 3.58 -1.92 -1.77 116.42 117.59 2jnk h ASP 94 Ca 0.00 -0.11 -0.20 0.00 0.42 0.00 0.00 57.03 57.14 2jnk h ASP 94 Cb 0.05 -0.02 -0.12 0.00 1.72 0.00 0.00 39.33 40.96 2jnk h ASP 94 CO 0.00 1.10 -0.03 -0.11 -2.88 0.00 0.00 179.24 177.32 2jnk n LEU 95 N -3.19 4.31 0.00 2.28 7.94 -1.11 -4.15 117.00 123.09 2jnk n LEU 95 Ca -0.14 -3.74 0.00 0.00 -1.11 0.00 0.00 56.01 51.02 2jnk n LEU 95 Cb 1.02 -0.65 0.00 0.00 0.53 0.00 0.00 43.42 44.33 2jnk n LEU 95 CO 0.46 1.23 0.00 0.00 -1.11 0.00 0.00 177.39 177.97 2jnk n ALA 96 N -1.10 0.00 -0.52 1.96 0.00 -1.20 -4.98 120.51 114.68 2jnk n ALA 96 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2jnk n ALA 96 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.53 2jnk n ALA 96 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2jnk n MET 97 N -0.41 0.00 0.09 0.00 1.56 -0.72 -4.03 117.12 113.61 2jnk n MET 97 Ca 0.00 0.16 -0.13 0.00 -0.27 0.00 0.00 57.70 57.45 2jnk n MET 97 Cb 0.00 -0.56 -0.08 0.00 2.15 0.00 0.00 33.22 34.73 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 0.94 0.00 1.12 3.04 -1.68 -2.66 116.25 117.01 2jnk h VAL 98 Ca 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 2jnk h VAL 98 Cb 0.00 1.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.44 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 -5.10 0.00 0.21 3.17 7.64 -1.26 -2.95 113.62 115.34 2jnk n SER 99 Ca -0.09 0.29 -0.15 0.00 1.01 0.00 0.00 58.87 59.94 2jnk n SER 99 Cb 0.17 -0.32 -0.08 0.00 -1.01 0.00 0.00 64.21 62.96 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 -0.48 0.04 1.43 3.11 -1.61 -3.33 116.57 115.74 2jnk h LYS 100 Ca 0.00 0.03 -0.10 0.00 -2.81 0.00 0.00 60.65 57.77 2jnk h LYS 100 Cb 0.03 0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 31.36 2jnk h LYS 100 CO 0.00 -0.27 -0.50 -2.95 -2.81 0.00 0.00 179.45 172.92 2jnk h ASN 101 N -0.58 0.13 -5.85 4.20 7.08 -1.72 -3.50 115.58 115.34 2jnk h ASN 101 Ca -0.05 -0.90 0.00 0.00 -3.08 0.00 0.00 56.30 52.27 2jnk h ASN 101 Cb 0.43 -0.04 -0.04 0.00 -2.08 0.00 0.00 38.32 36.59 2jnk h ASN 101 CO 0.08 1.22 -0.43 -0.38 -2.08 0.00 0.00 177.43 175.84 2jnk n ILE 102 N -4.41 -4.19 -0.66 6.14 2.08 -1.21 -4.39 119.36 112.71 2jnk n ILE 102 Ca -0.16 0.75 0.00 0.00 0.56 0.00 0.00 62.75 63.91 2jnk n ILE 102 Cb 0.62 -3.58 0.00 0.00 -0.75 0.00 0.00 39.64 35.93 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 2.33 0.90 3.49 7.39 0.00 0.39 -4.66 105.19 115.03 2jnk n GLY 103 Ca -0.12 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.48 6.07 0.14 1.61 0.15 -1.26 -4.67 113.70 113.26 2jnk s SER 104 Ca 0.00 -0.65 0.19 0.00 0.70 0.00 0.00 55.95 56.19 2jnk s SER 104 Cb 0.00 -2.14 0.80 0.00 -1.71 0.00 0.00 66.02 62.96 2jnk s SER 104 CO 0.00 -0.33 1.58 0.35 1.20 0.00 0.00 173.24 176.04 2jnk n THR 105 N 5.13 0.95 0.02 6.45 -2.24 -1.02 -2.12 114.28 121.45 2jnk n THR 105 Ca -0.12 0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 2jnk n THR 105 Cb 0.48 -1.12 -0.09 0.00 -2.10 0.00 0.00 70.33 67.50 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 -1.90 1.14 -2.21 4.28 -2.24 -1.26 -4.32 114.28 107.78 2jnk n THR 106 Ca 0.03 -0.69 -0.39 0.00 -2.27 0.00 0.00 64.05 60.73 2jnk n THR 106 Cb 0.19 -0.69 0.01 0.00 -2.10 0.00 0.00 70.33 67.74 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 -2.85 7.46 -0.45 3.42 5.15 -0.90 -4.56 115.26 122.53 2jnk n ASN 107 Ca -0.11 -3.55 0.13 0.00 -0.60 0.00 0.00 54.58 50.46 2jnk n ASN 107 Cb 0.84 -1.20 0.43 0.00 -0.53 0.00 0.00 39.78 39.32 2jnk n ASN 107 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2jnk n THR 108 N 0.34 0.00 0.34 -0.44 -2.24 -1.26 -4.07 114.28 106.95 2jnk n THR 108 Ca 0.52 -0.24 0.07 0.00 -2.27 0.00 0.00 64.05 62.13 2jnk n THR 108 Cb 0.28 0.58 0.29 0.00 -2.10 0.00 0.00 70.33 69.38 2jnk n THR 108 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2jnk n SER 109 N 0.03 0.17 -2.73 3.42 7.64 -1.26 -3.50 113.62 117.38 2jnk n SER 109 Ca 0.16 0.55 -0.05 0.00 1.01 0.00 0.00 58.87 60.55 2jnk n SER 109 Cb 0.38 -0.58 0.07 0.00 -1.01 0.00 0.00 64.21 63.06 2jnk n SER 109 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jnk n LEU 110 N -1.69 0.37 -4.31 -3.43 -0.00 -1.26 -4.90 117.00 101.78 2jnk n LEU 110 Ca 0.02 -3.36 -0.37 0.00 -0.00 0.00 0.00 56.01 52.30 2jnk n LEU 110 Cb 0.13 0.31 -0.13 0.00 -0.00 0.00 0.00 43.42 43.74 2jnk n LEU 110 CO 0.11 1.48 -0.28 -1.81 -0.00 0.00 0.00 177.39 176.89 2jnk s ASP 111 N -2.65 5.12 0.63 1.45 1.11 -1.23 -4.83 116.67 116.28 2jnk s ASP 111 Ca 0.23 -0.88 0.13 0.00 0.18 0.00 0.00 52.55 52.22 2jnk s ASP 111 Cb 0.40 -1.86 0.73 0.00 1.07 0.00 0.00 42.92 43.26 2jnk s ASP 111 CO -0.04 -0.23 1.39 -0.07 1.18 0.00 0.00 175.17 177.40 2jnk h LEU 112 N 8.21 0.00 0.00 1.23 3.38 -1.86 1.00 115.31 127.27 2jnk h LEU 112 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2jnk h LEU 112 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2jnk h LEU 112 CO 0.60 0.00 -1.45 0.59 0.09 0.00 0.00 178.44 178.27 2jnk n ASN 113 N -2.60 2.66 -4.17 -0.43 4.13 -1.26 -1.95 115.26 111.64 2jnk n ASN 113 Ca -0.01 -0.01 -0.35 0.00 1.68 0.00 0.00 54.58 55.89 2jnk n ASN 113 Cb 0.69 1.46 -0.02 0.00 -1.54 0.00 0.00 39.78 40.37 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 -1.85 -3.53 -0.08 3.52 2.85 0.35 -4.44 118.16 114.98 2jnk n LYS 114 Ca -0.02 0.41 0.09 0.00 -1.05 0.00 0.00 58.31 57.74 2jnk n LYS 114 Cb 0.26 -5.17 0.35 0.00 -0.65 0.00 0.00 35.03 29.82 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 -2.67 1.42 -0.70 -5.58 2.03 -1.26 -4.90 116.55 104.89 2jnk n ASP 115 Ca 0.08 -1.73 -0.03 0.00 0.52 0.00 0.00 54.79 53.62 2jnk n ASP 115 Cb 0.49 -0.11 0.01 0.00 -0.72 0.00 0.00 41.12 40.79 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 1.05 0.56 3.15 0.27 0.00 -1.26 -5.02 105.19 103.94 2jnk n GLY 116 Ca 0.14 -0.63 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 -2.98 -0.19 -0.36 1.61 0.01 -1.23 -2.43 113.70 108.13 2jnk s SER 117 Ca 0.05 0.09 -0.28 0.00 1.31 0.00 0.00 55.95 57.13 2jnk s SER 117 Cb -0.02 1.15 -0.03 0.00 0.21 0.00 0.00 66.02 67.33 2jnk s SER 117 CO 0.06 -0.04 1.96 -0.63 0.41 0.00 0.00 173.24 175.01 2jnk s ILE 118 N 2.98 3.31 0.00 1.44 -1.09 -1.26 -4.31 121.20 122.27 2jnk s ILE 118 Ca 0.02 0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.74 2jnk s ILE 118 Cb -0.07 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 2jnk s ILE 118 CO -0.12 -0.35 0.00 -0.67 -1.23 0.00 0.00 174.94 172.57 2jnk n ASP 119 N 11.51 0.00 0.25 3.58 2.03 -1.26 0.15 116.55 132.81 2jnk n ASP 119 Ca 0.25 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.68 2jnk n ASP 119 Cb 0.48 0.00 0.61 0.00 -0.72 0.00 0.00 41.12 41.49 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 -1.94 -2.32 114.58 114.73 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 0.17 0.00 1.88 -1.00 0.00 0.00 179.01 180.06 2jnk h TYR 121 N 0.00 0.00 0.00 4.33 0.05 -1.92 0.23 116.97 119.67 2jnk h TYR 121 Ca -0.00 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 2jnk h TYR 121 Cb 0.52 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 2jnk h TYR 121 CO 0.00 0.00 -1.40 0.39 -1.05 0.00 0.00 178.16 176.10 2jnk n GLU 122 N -2.44 0.63 -0.10 4.88 -0.58 -0.88 -4.22 120.64 117.92 2jnk n GLU 122 Ca 0.01 0.09 -0.21 0.00 -0.42 0.00 0.00 57.16 56.63 2jnk n GLU 122 Cb 0.20 -1.75 -0.12 0.00 -0.57 0.00 0.00 31.44 29.21 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 -2.67 1.56 -0.40 -3.67 2.08 -0.92 -4.46 119.36 110.88 2jnk n ILE 123 Ca -0.06 -0.52 0.32 0.00 0.56 0.00 0.00 62.75 63.05 2jnk n ILE 123 Cb 0.68 -1.61 0.51 0.00 -0.75 0.00 0.00 39.64 38.48 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 -3.57 0.09 0.00 4.38 7.64 0.77 0.16 113.62 123.09 2jnk n SER 124 Ca -0.44 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.31 2jnk n SER 124 Cb 0.96 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 -3.81 0.00 0.36 1.43 7.35 -1.18 -4.35 117.46 117.26 2jnk n PHE 125 Ca 0.29 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 57.03 2jnk n PHE 125 Cb 1.22 -0.28 0.21 0.00 0.35 0.00 0.00 39.48 40.98 2jnk n PHE 125 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 2jnk n ILE 126 N -2.10 1.15 -0.06 -2.13 5.41 -0.90 -3.49 119.36 117.24 2jnk n ILE 126 Ca 0.00 0.29 -0.04 0.00 1.00 0.00 0.00 62.75 64.00 2jnk n ILE 126 Cb 0.00 -1.13 -0.03 0.00 -0.71 0.00 0.00 39.64 37.77 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 -0.53 0.06 4.38 -0.73 0.13 -2.52 115.58 116.37 2jnk h ASN 127 Ca 0.00 0.07 -0.36 0.00 1.87 0.00 0.00 56.30 57.88 2jnk h ASN 127 Cb 0.13 0.22 -0.04 0.00 0.27 0.00 0.00 38.32 38.90 2jnk h ASN 127 CO 0.00 -0.10 -2.09 1.41 -0.37 0.00 0.00 177.43 176.28 2jnk n HIS 128 N -3.48 0.71 -0.55 0.67 8.25 -1.25 -4.26 115.22 115.31 2jnk n HIS 128 Ca -0.01 0.19 0.44 0.00 -0.26 0.00 0.00 57.72 58.08 2jnk n HIS 128 Cb 0.09 -1.09 0.74 0.00 1.12 0.00 0.00 29.99 30.85 2jnk n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jnk h ARG 129 N -0.24 0.03 -0.28 -0.41 2.47 -1.65 1.17 114.38 115.47 2jnk h ARG 129 Ca -0.49 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.22 2jnk h ARG 129 Cb 1.84 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 30.14 2jnk h ARG 129 CO -0.07 0.02 0.15 0.97 0.56 0.00 0.00 179.97 181.60 2jnk h ILE 130 N 0.03 1.12 0.00 2.04 2.10 -1.63 -3.15 117.51 118.03 2jnk h ILE 130 Ca 0.86 -0.33 -0.10 0.00 1.08 0.00 0.00 64.86 66.37 2jnk h ILE 130 Cb 3.09 0.84 -0.02 0.00 -1.09 0.00 0.00 36.82 39.64 2jnk h ILE 130 CO -0.22 0.12 -1.40 0.00 -1.08 0.00 0.00 178.15 175.58 2jnk n LEU 131 N -4.83 0.71 -3.51 2.19 -0.00 0.28 -4.43 117.00 107.40 2jnk n LEU 131 Ca -0.02 0.30 -0.40 0.00 -0.00 0.00 0.00 56.01 55.88 2jnk n LEU 131 Cb 0.08 0.04 -0.01 0.00 -0.00 0.00 0.00 43.42 43.53 2jnk n LEU 131 CO 0.35 0.03 2.51 0.59 -0.00 0.00 0.00 177.39 180.87 2jnk n ASN 132 N -2.73 7.65 0.00 1.45 3.02 0.33 -4.17 115.26 120.81 2jnk n ASN 132 Ca -0.07 -3.04 0.00 0.00 -0.03 0.00 0.00 54.58 51.44 2jnk n ASN 132 Cb 0.73 -1.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.48 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 2.41 1.02 -2.21 3.41 0.00 -1.25 -4.74 117.00 115.64 2jnk n LEU 133 Ca 0.62 0.00 -0.28 0.00 0.00 0.00 0.00 56.01 56.34 2jnk n LEU 133 Cb 0.26 0.00 0.11 0.00 0.00 0.00 0.00 43.42 43.79 2jnk n LEU 133 CO 0.74 0.09 1.34 1.21 0.00 0.00 0.00 177.39 180.77 2jnk n GLU 134 N -2.49 2.39 -0.07 1.96 2.13 -1.26 -4.49 120.64 118.81 2jnk n GLU 134 Ca 0.00 -2.92 -0.06 0.00 0.66 0.00 0.00 57.16 54.85 2jnk n GLU 134 Cb 0.33 -2.14 -0.02 0.00 0.27 0.00 0.00 31.44 29.88 2jnk n GLU 134 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2jnk n HIS 135 N -0.83 0.85 -2.57 4.31 -0.00 -1.26 -4.98 115.22 110.74 2jnk n HIS 135 Ca 0.57 0.37 -0.21 0.00 0.46 0.00 0.00 57.72 58.91 2jnk n HIS 135 Cb 1.01 -0.76 0.00 0.00 -0.12 0.00 0.00 29.99 30.12 2jnk n HIS 135 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jnk n HIS 136 N -4.59 -1.25 -3.97 1.57 8.25 -1.26 -4.90 115.22 109.06 2jnk n HIS 136 Ca -0.09 0.15 0.02 0.00 -0.26 0.00 0.00 57.72 57.54 2jnk n HIS 136 Cb 0.31 -4.05 0.01 0.00 1.12 0.00 0.00 29.99 27.38 2jnk n HIS 136 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jnk n HIS 137 N -4.16 -0.31 -0.06 4.41 -0.00 -1.26 -5.08 115.22 108.77 2jnk n HIS 137 Ca -0.20 -0.53 -0.11 0.00 -0.00 0.00 0.00 57.72 56.88 2jnk n HIS 137 Cb 0.66 0.24 -0.04 0.00 -0.00 0.00 0.00 29.99 30.85 2jnk n HIS 137 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jnk n HIS 138 N -0.70 0.00 0.00 1.57 8.25 -1.26 -5.01 115.22 118.07 2jnk n HIS 138 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2jnk n HIS 138 Cb 0.44 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 31.13 2jnk n HIS 138 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jnk n HIS 139 N -3.30 0.00 -0.59 4.41 -0.00 -1.26 -5.22 115.22 109.26 2jnk n HIS 139 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.50 2jnk n HIS 139 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.67 2jnk n HIS 139 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92