#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnk n ASP 2 N 0.00 2.90 0.00 7.83 9.92 -1.26 -1.91 116.55 134.03 2jnk n ASP 2 Ca 0.00 1.03 0.00 0.00 -0.53 0.00 0.00 54.79 55.29 2jnk n ASP 2 Cb 0.00 -1.59 0.00 0.00 -0.64 0.00 0.00 41.12 38.89 2jnk n ASP 2 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2jnk n LYS 3 N -0.73 0.00 -0.21 -1.24 4.81 -1.26 -4.42 118.16 115.11 2jnk n LYS 3 Ca 0.09 0.00 0.27 0.00 -0.87 0.00 0.00 58.31 57.80 2jnk n LYS 3 Cb 0.43 0.00 0.68 0.00 0.02 0.00 0.00 35.03 36.16 2jnk n LYS 3 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2jnk h THR 4 N 0.00 0.56 -0.29 3.15 2.02 -1.89 0.38 112.91 116.83 2jnk h THR 4 Ca 0.00 -0.03 0.08 0.00 0.77 0.00 0.00 66.41 67.23 2jnk h THR 4 Cb 0.00 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 2jnk h THR 4 CO 0.00 0.02 0.26 -1.13 0.37 0.00 0.00 175.52 175.03 2jnk h ASN 5 N 0.09 0.00 0.00 4.18 -0.00 -1.59 -0.56 115.58 117.70 2jnk h ASN 5 Ca 0.45 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.75 2jnk h ASN 5 Cb 1.64 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.96 2jnk h ASN 5 CO -0.05 0.00 -0.19 -0.07 -0.00 0.00 0.00 177.43 177.12 2jnk h LEU 6 N 0.00 0.00 -1.70 0.34 4.07 -0.56 -2.38 115.31 115.09 2jnk h LEU 6 Ca 0.14 -0.03 0.14 0.00 0.08 0.00 0.00 57.88 58.21 2jnk h LEU 6 Cb 0.65 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.37 2jnk h LEU 6 CO -0.00 0.61 0.62 1.23 -1.08 0.00 0.00 178.44 179.82 2jnk h GLY 7 N -1.00 0.00 0.50 0.83 0.00 -1.42 1.93 103.07 103.92 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 -1.34 -1.84 0.00 0.00 0.00 176.54 173.36 2jnk n GLU 8 N -3.43 0.50 -0.06 4.80 -0.00 -0.24 -2.88 120.64 119.32 2jnk n GLU 8 Ca 0.09 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.16 57.21 2jnk n GLU 8 Cb 0.80 -1.64 -0.16 0.00 -0.00 0.00 0.00 31.44 30.44 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 -2.27 0.02 0.01 -1.84 4.77 0.33 -4.37 117.00 113.66 2jnk n LEU 9 Ca -0.01 0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2jnk n LEU 9 Cb 0.51 0.29 -0.14 0.00 -2.33 0.00 0.00 43.42 41.76 2jnk n LEU 9 CO 0.42 0.30 -0.36 0.16 -1.33 0.00 0.00 177.39 176.58 2jnk h ILE 10 N 0.00 1.07 -0.98 -0.08 3.07 0.24 -2.89 117.51 117.93 2jnk h ILE 10 Ca -0.33 -2.87 0.24 0.00 1.55 0.00 0.00 64.86 63.46 2jnk h ILE 10 Cb 1.74 2.55 -0.08 0.00 -0.27 0.00 0.00 36.82 40.77 2jnk h ILE 10 CO 0.02 0.64 0.65 0.78 -1.05 0.00 0.00 178.15 179.19 2jnk h ASN 11 N 0.01 0.40 0.39 2.16 -0.26 -1.67 0.97 115.58 117.57 2jnk h ASN 11 Ca -0.22 0.06 -0.31 0.00 -0.56 0.00 0.00 56.30 55.26 2jnk h ASN 11 Cb 1.96 -0.01 -0.04 0.00 -1.06 0.00 0.00 38.32 39.17 2jnk h ASN 11 CO 0.10 0.12 -1.78 0.06 -1.06 0.00 0.00 177.43 174.87 2jnk h GLN 12 N 0.37 0.09 -0.04 0.81 3.07 -1.78 -3.33 115.11 114.29 2jnk h GLN 12 Ca 0.53 -0.15 -0.00 0.00 0.09 0.00 0.00 58.65 59.12 2jnk h GLN 12 Cb 1.40 0.05 -0.00 0.00 0.08 0.00 0.00 27.48 29.01 2jnk h GLN 12 CO -0.22 0.73 0.01 0.78 0.09 0.00 0.00 178.83 180.22 2jnk h GLY 13 N 2.75 0.07 0.91 0.06 0.00 -0.38 0.20 103.07 106.68 2jnk h GLY 13 Ca -0.32 -0.04 0.14 0.00 0.00 0.00 0.00 47.33 47.11 2jnk h GLY 13 CO 0.09 0.04 0.41 0.50 0.00 0.00 0.00 176.54 177.58 2jnk h LYS 14 N -0.11 0.00 0.15 4.80 6.56 0.61 0.27 116.57 128.85 2jnk h LYS 14 Ca 0.01 0.00 -0.32 0.00 -1.06 0.00 0.00 60.65 59.29 2jnk h LYS 14 Cb 0.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.86 2jnk h LYS 14 CO -0.00 0.00 -1.54 1.03 -2.06 0.00 0.00 179.45 176.88 2jnk h SER 15 N 0.00 0.51 0.12 0.86 0.87 -1.47 -3.15 113.55 111.28 2jnk h SER 15 Ca 0.22 -0.67 -0.01 0.00 -1.23 0.00 0.00 61.79 60.11 2jnk h SER 15 Cb 1.05 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 2jnk h SER 15 CO -0.00 1.55 -0.06 0.25 -0.53 0.00 0.00 176.83 178.04 2jnk h LEU 16 N 0.09 -0.13 -1.93 2.23 6.46 0.26 1.19 115.31 123.48 2jnk h LEU 16 Ca -0.25 0.00 0.40 0.00 -0.12 0.00 0.00 57.88 57.91 2jnk h LEU 16 Cb 2.05 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 41.96 2jnk h LEU 16 CO 0.19 -0.07 1.04 0.25 -0.62 0.00 0.00 178.44 179.23 2jnk h LEU 17 N -0.19 0.00 0.01 2.25 7.12 -1.10 0.64 115.31 124.04 2jnk h LEU 17 Ca -0.02 0.00 -0.31 0.00 0.13 0.00 0.00 57.88 57.68 2jnk h LEU 17 Cb 0.12 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 40.20 2jnk h LEU 17 CO 0.03 0.00 -1.88 -0.67 -0.13 0.00 0.00 178.44 175.78 2jnk n ASP 18 N -4.00 0.81 -0.03 1.25 2.03 -1.16 -4.65 116.55 110.80 2jnk n ASP 18 Ca 0.30 0.31 -0.02 0.00 0.52 0.00 0.00 54.79 55.90 2jnk n ASP 18 Cb 1.48 0.09 -0.01 0.00 -0.72 0.00 0.00 41.12 41.97 2jnk n ASP 18 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2jnk h GLU 19 N 0.01 0.00 -5.29 -0.67 4.39 0.61 -3.44 114.58 110.19 2jnk h GLU 19 Ca -0.35 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 58.96 2jnk h GLU 19 Cb 2.06 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.67 2jnk h GLU 19 CO 0.07 0.00 1.46 -1.13 -1.16 0.00 0.00 179.01 178.25 2jnk n SER 20 N -3.32 1.06 -4.86 1.42 3.41 0.17 -4.89 113.62 106.62 2jnk n SER 20 Ca -0.03 -0.46 -0.35 0.00 -0.26 0.00 0.00 58.87 57.77 2jnk n SER 20 Cb 0.10 -1.24 -0.06 0.00 -0.26 0.00 0.00 64.21 62.75 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 9.97 5.03 -0.47 -3.33 0.11 -1.26 -4.77 120.40 125.67 2jnk s VAL 21 Ca 1.14 0.58 -0.29 0.00 -2.93 0.00 0.00 61.98 60.48 2jnk s VAL 21 Cb -0.61 -3.67 0.02 0.00 -1.53 0.00 0.00 36.38 30.59 2jnk s VAL 21 CO 0.35 0.30 1.22 -1.83 -3.33 0.00 0.00 175.10 171.80 2jnk s GLU 22 N -1.86 3.66 0.00 1.54 -1.05 -1.25 -0.87 118.70 118.87 2jnk s GLU 22 Ca 0.34 0.62 0.00 0.00 -0.15 0.00 0.00 54.97 55.78 2jnk s GLU 22 Cb -0.14 -3.95 0.00 0.00 -0.44 0.00 0.00 34.13 29.59 2jnk s GLU 22 CO 0.18 -1.47 0.00 0.41 0.95 0.00 0.00 175.26 175.33 2jnk n GLY 23 N 4.94 1.09 0.00 -3.83 0.00 1.04 -4.73 105.19 103.70 2jnk n GLY 23 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2jnk n GLY 23 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2jnk n PHE 24 N 0.00 0.00 -3.82 1.61 1.16 -1.25 -4.59 117.46 110.57 2jnk n PHE 24 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 57.45 55.60 2jnk n PHE 24 Cb 0.00 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 37.88 2jnk n PHE 24 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 2jnk s ASN 25 N 0.00 -0.02 -0.21 5.98 4.22 -1.18 -3.70 114.94 120.03 2jnk s ASN 25 Ca 0.00 -0.18 -0.37 0.00 -2.14 0.00 0.00 52.86 50.17 2jnk s ASN 25 Cb 0.00 0.16 -0.13 0.00 1.28 0.00 0.00 41.25 42.55 2jnk s ASN 25 CO 0.00 -0.30 1.87 0.55 -2.04 0.00 0.00 177.10 177.17 2jnk n VAL 26 N -0.71 0.41 0.00 3.54 3.14 -1.26 -0.20 118.33 123.25 2jnk n VAL 26 Ca -0.02 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 2jnk n VAL 26 Cb 0.61 -1.56 0.00 0.00 -1.06 0.00 0.00 33.84 31.83 2jnk n VAL 26 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2jnk n GLY 27 N 4.62 2.21 3.08 7.55 0.00 -0.73 -5.02 105.19 116.89 2jnk n GLY 27 Ca 0.27 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.24 0.74 0.55 1.61 8.01 0.72 -4.08 118.70 126.01 2jnk s GLU 28 Ca 0.00 -0.59 0.07 0.00 0.01 0.00 0.00 54.97 54.46 2jnk s GLU 28 Cb 0.00 -0.69 0.05 0.00 -4.31 0.00 0.00 34.13 29.18 2jnk s GLU 28 CO 0.00 0.17 0.52 1.52 0.01 0.00 0.00 175.26 177.48 2jnk s TYR 29 N -0.72 1.62 -0.84 1.61 1.13 -0.05 -3.11 117.35 116.98 2jnk s TYR 29 Ca -0.00 -0.79 0.01 0.00 -1.41 0.00 0.00 57.07 54.88 2jnk s TYR 29 Cb -0.07 -2.02 0.29 0.00 -1.10 0.00 0.00 41.96 39.07 2jnk s TYR 29 CO 0.01 -0.66 1.20 1.58 -2.51 0.00 0.00 175.55 175.16 2jnk n HIS 30 N -1.90 3.08 -1.42 -3.49 -0.00 -1.26 0.34 115.22 110.58 2jnk n HIS 30 Ca 0.04 -3.34 0.17 0.00 0.46 0.00 0.00 57.72 55.05 2jnk n HIS 30 Cb 0.63 -0.89 -0.09 0.00 -0.12 0.00 0.00 29.99 29.53 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 0.71 -3.15 0.00 1.57 4.76 -1.26 -4.60 118.16 116.18 2jnk n LYS 31 Ca 0.31 2.53 0.00 0.00 -2.87 0.00 0.00 58.31 58.28 2jnk n LYS 31 Cb 0.36 -3.74 0.00 0.00 -1.84 0.00 0.00 35.03 29.81 2jnk n LYS 31 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jnk n GLY 32 N -4.29 3.03 0.14 0.72 0.00 -1.26 -4.86 105.19 98.68 2jnk n GLY 32 Ca -0.08 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.24 -0.09 4.61 0.00 -1.96 -3.34 119.26 118.24 2jnk h ALA 33 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2jnk h ALA 33 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2jnk h ALA 33 CO 0.00 -0.33 0.00 1.17 0.00 0.00 0.00 179.25 180.09 2jnk n LYS 34 N -4.95 0.00 0.00 0.00 3.00 -1.26 -2.70 118.16 112.24 2jnk n LYS 34 Ca -0.08 0.67 0.00 0.00 -0.00 0.00 0.00 58.31 58.90 2jnk n LYS 34 Cb 0.26 -1.01 0.00 0.00 0.00 0.00 0.00 35.03 34.28 2jnk n LYS 34 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2jnk n ASP 35 N -2.60 0.00 0.00 3.14 9.92 -1.26 -1.69 116.55 124.05 2jnk n ASP 35 Ca 0.00 0.97 0.00 0.00 -0.53 0.00 0.00 54.79 55.23 2jnk n ASP 35 Cb 0.00 -0.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.01 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 -0.99 -0.15 0.33 0.44 0.00 -1.10 0.31 105.19 104.03 2jnk n GLY 36 Ca 0.00 0.03 0.20 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.05 0.05 0.99 5.85 -1.67 0.18 115.31 120.67 2jnk h LEU 37 Ca 0.00 0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 2jnk h LEU 37 Cb 0.00 0.34 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2jnk h LEU 37 CO 0.00 -0.31 -0.03 0.00 -0.34 0.00 0.00 178.44 177.77 2jnk h THR 38 N 0.09 1.09 -0.88 1.05 1.03 0.29 0.53 112.91 116.10 2jnk h THR 38 Ca 0.67 -0.47 0.26 0.00 -0.01 0.00 0.00 66.41 66.85 2jnk h THR 38 Cb 1.52 1.40 -0.04 0.00 -1.07 0.00 0.00 68.15 69.96 2jnk h THR 38 CO -0.78 0.12 0.73 0.58 -0.01 0.00 0.00 175.52 176.16 2jnk h VAL 39 N -0.28 0.38 0.00 0.00 2.07 0.80 2.65 116.25 121.87 2jnk h VAL 39 Ca -0.01 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.27 2jnk h VAL 39 Cb 0.25 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 2jnk h VAL 39 CO 0.01 0.00 -1.94 -1.84 0.02 0.00 0.00 177.57 173.82 2jnk n GLU 40 N -3.96 0.66 0.21 1.57 -0.00 -0.86 -3.18 120.64 115.08 2jnk n GLU 40 Ca 0.18 0.08 -0.11 0.00 -0.00 0.00 0.00 57.16 57.32 2jnk n GLU 40 Cb 1.04 -1.65 -0.05 0.00 -0.00 0.00 0.00 31.44 30.77 2jnk n GLU 40 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2jnk h ILE 41 N 0.00 0.17 -0.79 3.84 1.08 0.67 2.36 117.51 124.84 2jnk h ILE 41 Ca -0.32 -0.60 0.18 0.00 -0.39 0.00 0.00 64.86 63.74 2jnk h ILE 41 Cb 1.84 0.27 -0.14 0.00 -3.07 0.00 0.00 36.82 35.72 2jnk h ILE 41 CO 0.04 0.04 -0.01 0.78 -0.69 0.00 0.00 178.15 178.30 2jnk h ASN 42 N -1.10 -0.40 1.25 1.72 2.35 0.38 0.88 115.58 120.66 2jnk h ASN 42 Ca -0.06 0.21 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 2jnk h ASN 42 Cb 0.51 0.38 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 2jnk h ASN 42 CO 0.10 -0.21 -0.41 0.50 -1.65 0.00 0.00 177.43 175.77 2jnk h LYS 43 N 0.08 0.00 0.36 0.81 1.63 -1.50 -3.26 116.57 114.69 2jnk h LYS 43 Ca 0.43 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.21 2jnk h LYS 43 Cb 0.76 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.40 2jnk h LYS 43 CO -0.71 0.41 -0.17 0.00 -3.45 0.00 0.00 179.45 175.52 2jnk h ALA 44 N 1.59 -0.49 -0.87 5.00 0.00 1.09 -3.04 119.26 122.55 2jnk h ALA 44 Ca -0.00 -0.11 0.23 0.00 0.00 0.00 0.00 54.91 55.02 2jnk h ALA 44 Cb 1.14 0.19 -0.15 0.00 0.00 0.00 0.00 17.79 18.97 2jnk h ALA 44 CO 0.05 -0.45 0.13 0.93 0.00 0.00 0.00 179.25 179.91 2jnk h GLU 45 N -1.13 0.13 -0.92 0.00 5.08 -0.62 2.29 114.58 119.40 2jnk h GLU 45 Ca -0.05 -0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.46 2jnk h GLU 45 Cb 0.37 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.52 2jnk h GLU 45 CO 0.08 0.08 0.59 0.93 -1.00 0.00 0.00 179.01 179.70 2jnk h GLU 46 N 0.13 0.67 0.04 2.33 5.08 -1.63 -0.08 114.58 121.13 2jnk h GLU 46 Ca 0.52 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.72 2jnk h GLU 46 Cb 1.04 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 30.15 2jnk h GLU 46 CO -0.72 0.44 -0.52 0.28 -1.00 0.00 0.00 179.01 177.49 2jnk h VAL 47 N 0.69 1.52 -1.07 3.13 2.07 0.35 1.42 116.25 124.36 2jnk h VAL 47 Ca 0.48 -2.22 0.29 0.00 0.82 0.00 0.00 66.70 66.07 2jnk h VAL 47 Cb 0.79 2.91 -0.08 0.00 -1.52 0.00 0.00 31.29 33.39 2jnk h VAL 47 CO -0.23 0.62 0.72 0.15 0.02 0.00 0.00 177.57 178.85 2jnk h PHE 48 N -0.37 0.43 -0.01 1.57 3.57 0.20 0.11 116.94 122.45 2jnk h PHE 48 Ca -0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2jnk h PHE 48 Cb 1.31 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.93 2jnk h PHE 48 CO 0.18 0.04 -0.24 0.09 -2.23 0.00 0.00 178.31 176.15 2jnk n ASN 49 N -4.48 1.08 -4.69 0.41 3.02 -0.17 -4.85 115.26 105.58 2jnk n ASN 49 Ca 0.25 -1.04 -0.32 0.00 -0.03 0.00 0.00 54.58 53.44 2jnk n ASN 49 Cb 0.99 0.55 0.15 0.00 -0.61 0.00 0.00 39.78 40.85 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 -1.41 1.35 -0.09 3.52 2.20 0.49 -4.97 119.74 120.83 2jnk s LYS 50 Ca 0.07 1.58 -0.12 0.00 -0.36 0.00 0.00 55.97 57.14 2jnk s LYS 50 Cb 0.08 -1.76 -0.28 0.00 -1.51 0.00 0.00 37.83 34.35 2jnk s LYS 50 CO 0.27 -2.39 0.55 1.49 -0.36 0.00 0.00 175.35 174.90 2jnk h GLU 51 N -1.48 0.31 -0.72 4.03 4.81 -1.85 -3.26 114.58 116.42 2jnk h GLU 51 Ca -0.44 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 58.26 2jnk h GLU 51 Cb 1.27 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.85 2jnk h GLU 51 CO 0.44 1.25 0.00 -0.25 -0.73 0.00 0.00 179.01 179.72 2jnk n ASP 52 N -3.68 1.80 -2.05 1.04 9.92 -1.26 -4.25 116.55 118.07 2jnk n ASP 52 Ca -0.27 -2.16 -0.11 0.00 -0.53 0.00 0.00 54.79 51.72 2jnk n ASP 52 Cb 1.01 -0.44 -0.15 0.00 -0.64 0.00 0.00 41.12 40.90 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 0.11 5.82 -1.92 2.24 0.00 -1.23 -3.15 120.51 122.37 2jnk n ALA 53 Ca 0.06 -1.63 0.00 0.00 0.00 0.00 0.00 53.44 51.87 2jnk n ALA 53 Cb 0.39 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.54 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 2.54 0.00 0.86 0.00 -2.24 -1.26 -4.36 114.28 109.81 2jnk n THR 54 Ca 0.38 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.28 2jnk n THR 54 Cb 0.82 0.00 0.52 0.00 -2.10 0.00 0.00 70.33 69.57 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 0.04 0.00 -0.78 2.13 -1.26 -3.26 120.64 117.52 2jnk n GLU 55 Ca 0.00 0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.91 2jnk n GLU 55 Cb 0.00 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.21 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 -1.47 0.00 -0.35 5.31 4.71 -1.26 -4.52 120.64 123.06 2jnk n GLU 56 Ca 0.06 0.06 -0.02 0.00 -0.01 0.00 0.00 57.16 57.26 2jnk n GLU 56 Cb 0.27 -0.47 0.13 0.00 -1.01 0.00 0.00 31.44 30.36 2jnk n GLU 56 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2jnk h GLU 57 N 0.00 1.26 0.36 3.49 4.39 -1.73 -3.09 114.58 119.26 2jnk h GLU 57 Ca 0.00 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 2jnk h GLU 57 Cb 0.00 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 28.35 2jnk h GLU 57 CO 0.00 0.84 -0.35 0.82 -1.16 0.00 0.00 179.01 179.16 2jnk h ILE 58 N 1.29 0.00 -1.05 3.13 2.04 -1.78 1.05 117.51 122.21 2jnk h ILE 58 Ca 0.35 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.48 2jnk h ILE 58 Cb -0.13 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 35.83 2jnk h ILE 58 CO -0.07 0.00 0.65 -0.55 0.00 0.00 0.00 178.15 178.18 2jnk h ASN 59 N -0.70 0.52 0.55 1.72 -1.07 -1.78 1.74 115.58 116.56 2jnk h ASN 59 Ca -0.04 0.11 -0.17 0.00 0.07 0.00 0.00 56.30 56.27 2jnk h ASN 59 Cb 0.61 0.04 -0.01 0.00 -2.07 0.00 0.00 38.32 36.88 2jnk h ASN 59 CO -0.04 0.06 -0.75 -0.07 0.07 0.00 0.00 177.43 176.69 2jnk h LEU 60 N 0.43 0.20 0.00 6.14 3.38 -1.29 -2.77 115.31 121.40 2jnk h LEU 60 Ca 0.64 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.47 2jnk h LEU 60 Cb 1.50 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.19 2jnk h LEU 60 CO -0.39 0.88 -0.62 0.00 0.09 0.00 0.00 178.44 178.40 2jnk h ALA 61 N 1.12 0.68 0.00 1.53 0.00 0.86 -3.33 119.26 120.12 2jnk h ALA 61 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2jnk h ALA 61 Cb 1.33 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 2jnk h ALA 61 CO 0.11 0.00 -0.20 1.57 0.00 0.00 0.00 179.25 180.73 2jnk h LYS 62 N 0.00 0.01 0.00 0.00 2.10 0.22 -3.11 116.57 115.78 2jnk h LYS 62 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2jnk h LYS 62 Cb 0.96 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 2jnk h LYS 62 CO 0.00 1.00 0.00 1.49 -2.00 0.00 0.00 179.45 179.94 2jnk h GLU 63 N -0.99 0.00 0.00 0.07 4.81 -1.66 0.09 114.58 116.91 2jnk h GLU 63 Ca -0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2jnk h GLU 63 Cb 1.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.44 2jnk h GLU 63 CO -0.03 0.00 -0.91 -1.13 -0.73 0.00 0.00 179.01 176.22 2jnk n SER 64 N -2.92 0.70 -0.12 1.04 3.41 -1.25 -4.15 113.62 110.34 2jnk n SER 64 Ca -0.02 -0.51 -0.22 0.00 -0.26 0.00 0.00 58.87 57.85 2jnk n SER 64 Cb 0.09 0.77 -0.07 0.00 -0.26 0.00 0.00 64.21 64.73 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 -1.67 1.95 0.03 1.04 7.94 -0.13 -4.01 117.00 122.16 2jnk n LEU 65 Ca 0.03 0.34 -0.03 0.00 -1.11 0.00 0.00 56.01 55.24 2jnk n LEU 65 Cb 0.37 -0.79 -0.02 0.00 0.53 0.00 0.00 43.42 43.51 2jnk n LEU 65 CO 0.40 0.25 0.50 -0.33 -1.11 0.00 0.00 177.39 177.10 2jnk h GLU 66 N -1.00 -0.15 0.00 1.96 5.08 -1.39 0.22 114.58 119.31 2jnk h GLU 66 Ca -0.43 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2jnk h GLU 66 Cb 1.38 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2jnk h GLU 66 CO -0.26 -0.10 0.00 0.41 -1.00 0.00 0.00 179.01 178.06 2jnk n GLY 67 N -1.10 -0.47 0.11 -3.84 0.00 -1.26 -2.56 105.19 96.07 2jnk n GLY 67 Ca -0.02 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.88 0.90 -0.30 4.61 0.00 -0.33 -3.91 120.51 120.59 2jnk n ALA 68 Ca 0.09 -0.78 0.02 0.00 0.00 0.00 0.00 53.44 52.76 2jnk n ALA 68 Cb 0.04 -0.07 0.15 0.00 0.00 0.00 0.00 19.45 19.57 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 0.99 -0.72 0.00 3.07 -0.58 0.47 117.51 119.74 2jnk h ILE 69 Ca -0.33 -0.31 0.21 0.00 1.55 0.00 0.00 64.86 65.98 2jnk h ILE 69 Cb 1.21 0.02 -0.03 0.00 -0.27 0.00 0.00 36.82 37.75 2jnk h ILE 69 CO -0.20 0.16 0.66 0.00 -1.05 0.00 0.00 178.15 177.73 2jnk h ALA 70 N 1.42 2.54 0.08 0.16 0.00 -1.69 0.14 119.26 121.90 2jnk h ALA 70 Ca 0.38 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 2jnk h ALA 70 Cb 0.25 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2jnk h ALA 70 CO -0.20 -1.03 -0.04 -0.09 0.00 0.00 0.00 179.25 177.89 2jnk h ARG 71 N 0.00 -0.10 -0.66 0.00 1.12 -0.17 -3.32 114.38 111.25 2jnk h ARG 71 Ca 0.34 0.01 0.14 0.00 -1.11 0.00 0.00 59.98 59.35 2jnk h ARG 71 Cb 1.67 0.02 -0.12 0.00 -0.01 0.00 0.00 29.97 31.53 2jnk h ARG 71 CO -0.00 -0.07 -0.10 0.35 -3.11 0.00 0.00 179.97 177.04 2jnk h PHE 72 N -0.61 -0.23 -1.39 2.20 3.04 -1.05 0.13 116.94 119.02 2jnk h PHE 72 Ca -0.01 0.06 0.42 0.00 3.98 0.00 0.00 57.97 62.41 2jnk h PHE 72 Cb 0.08 0.20 -0.09 0.00 2.56 0.00 0.00 35.95 38.70 2jnk h PHE 72 CO 0.01 -0.25 0.95 -0.91 -2.02 0.00 0.00 178.31 176.09 2jnk h ASN 73 N 0.04 0.17 -0.63 0.41 2.35 -0.91 0.71 115.58 117.72 2jnk h ASN 73 Ca 0.33 0.07 -0.35 0.00 -0.55 0.00 0.00 56.30 55.80 2jnk h ASN 73 Cb 0.53 0.05 -0.21 0.00 0.05 0.00 0.00 38.32 38.75 2jnk h ASN 73 CO -0.64 -0.06 0.17 -1.54 -1.65 0.00 0.00 177.43 173.70 2jnk n SER 74 N -4.41 3.49 -0.05 5.81 3.41 0.44 -4.48 113.62 117.83 2jnk n SER 74 Ca 0.34 -3.74 -0.04 0.00 -0.26 0.00 0.00 58.87 55.18 2jnk n SER 74 Cb 1.44 -0.71 -0.09 0.00 -0.26 0.00 0.00 64.21 64.59 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 -1.09 0.00 -2.30 1.04 4.77 0.25 -4.11 117.00 115.56 2jnk n LEU 75 Ca 0.45 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.32 2jnk n LEU 75 Cb 1.18 0.22 -0.10 0.00 -2.33 0.00 0.00 43.42 42.39 2jnk n LEU 75 CO 0.38 0.22 1.47 0.00 -1.33 0.00 0.00 177.39 178.13 2jnk n LEU 76 N -2.32 3.95 -3.60 2.23 -0.00 -1.24 -4.10 117.00 111.92 2jnk n LEU 76 Ca -0.15 -2.48 -0.24 0.00 -0.00 0.00 0.00 56.01 53.13 2jnk n LEU 76 Cb 0.77 -1.01 0.04 0.00 -0.00 0.00 0.00 43.42 43.22 2jnk n LEU 76 CO 0.23 1.02 -0.05 -0.38 -0.00 0.00 0.00 177.39 178.21 2jnk n ILE 77 N 2.85 -6.04 0.00 1.47 2.08 -1.20 -1.77 119.36 116.75 2jnk n ILE 77 Ca 0.33 -0.87 0.00 0.00 0.56 0.00 0.00 62.75 62.77 2jnk n ILE 77 Cb 0.57 -4.59 0.00 0.00 -0.75 0.00 0.00 39.64 34.87 2jnk n ILE 77 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 2jnk n GLU 78 N -4.01 0.00 -0.07 0.38 0.00 -1.22 -4.23 120.64 111.48 2jnk n GLU 78 Ca -0.17 0.00 0.20 0.00 0.00 0.00 0.00 57.16 57.19 2jnk n GLU 78 Cb 0.63 0.00 0.30 0.00 0.00 0.00 0.00 31.44 32.37 2jnk n GLU 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2jnk n GLU 79 N 0.00 0.02 -1.52 5.31 1.02 -1.26 0.13 120.64 124.33 2jnk n GLU 79 Ca 0.00 0.93 0.02 0.00 -0.02 0.00 0.00 57.16 58.10 2jnk n GLU 79 Cb 0.00 -2.37 0.07 0.00 -0.02 0.00 0.00 31.44 29.12 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 -2.92 1.49 0.25 1.62 7.64 -1.26 -4.83 113.62 115.61 2jnk n SER 80 Ca 0.16 -2.55 0.13 0.00 1.01 0.00 0.00 58.87 57.62 2jnk n SER 80 Cb 1.31 -0.38 0.62 0.00 -1.01 0.00 0.00 64.21 64.75 2jnk n SER 80 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jnk h THR 81 N 5.10 0.38 -1.08 0.44 1.03 0.78 -3.11 112.91 116.45 2jnk h THR 81 Ca -0.13 -0.76 0.30 0.00 -0.01 0.00 0.00 66.41 65.81 2jnk h THR 81 Cb 1.58 1.56 -0.11 0.00 -1.07 0.00 0.00 68.15 70.10 2jnk h THR 81 CO 0.13 0.13 0.67 1.23 -0.01 0.00 0.00 175.52 177.67 2jnk h GLY 82 N 1.68 1.50 -7.31 2.99 0.00 -1.88 -3.23 103.07 96.81 2jnk h GLY 82 Ca -0.00 -0.21 -0.52 0.00 0.00 0.00 0.00 47.33 46.59 2jnk h GLY 82 CO 0.02 -0.26 1.80 1.22 0.00 0.00 0.00 176.54 179.32 2jnk n ASP 83 N -4.76 3.66 0.11 0.19 8.00 -1.18 -4.56 116.55 118.01 2jnk n ASP 83 Ca 0.29 -2.78 -0.04 0.00 0.71 0.00 0.00 54.79 52.96 2jnk n ASP 83 Cb 0.97 -1.64 -0.02 0.00 -0.02 0.00 0.00 41.12 40.40 2jnk n ASP 83 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2jnk h PHE 84 N 8.42 -0.27 0.00 1.24 0.04 -1.85 -3.03 116.94 121.49 2jnk h PHE 84 Ca 0.35 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.12 2jnk h PHE 84 Cb 0.85 0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.09 2jnk h PHE 84 CO 1.31 -0.17 0.00 -0.91 -0.60 0.00 0.00 178.31 177.94 2jnk h ASN 85 N -0.34 0.00 0.00 2.17 2.35 -1.89 -3.41 115.58 114.46 2jnk h ASN 85 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2jnk h ASN 85 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2jnk h ASN 85 CO 0.05 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.44 2jnk n GLY 86 N -0.94 0.93 0.21 2.83 0.00 -1.15 -4.87 105.19 102.21 2jnk n GLY 86 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.11 2jnk n GLY 86 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2jnk h ASN 87 N 0.00 0.00 0.00 1.61 -0.00 -1.87 -3.47 115.58 111.84 2jnk h ASN 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2jnk h ASN 87 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 2jnk h ASN 87 CO 0.00 0.17 0.00 0.61 -0.00 0.00 0.00 177.43 178.21 2jnk n GLY 88 N 0.68 0.67 3.39 9.14 0.00 -1.26 -5.12 105.19 112.69 2jnk n GLY 88 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.66 0.54 -0.39 1.61 -2.85 -1.26 -5.11 119.74 112.95 2jnk s LYS 89 Ca 0.00 1.20 -0.06 0.00 -1.00 0.00 0.00 55.97 56.11 2jnk s LYS 89 Cb 0.00 0.63 0.08 0.00 -2.06 0.00 0.00 37.83 36.48 2jnk s LYS 89 CO 0.00 -0.38 0.19 0.42 0.10 0.00 0.00 175.35 175.67 2jnk s ILE 90 N 2.84 3.70 0.18 3.79 -1.09 -1.26 -4.68 121.20 124.68 2jnk s ILE 90 Ca 0.05 -1.57 0.00 0.00 -2.23 0.00 0.00 60.65 56.90 2jnk s ILE 90 Cb -0.13 -3.30 0.00 0.00 -1.58 0.00 0.00 42.46 37.44 2jnk s ILE 90 CO -0.19 -0.47 0.00 0.47 -1.23 0.00 0.00 174.94 173.53 2jnk n ASP 91 N 4.76 -1.61 -0.01 3.58 9.92 -1.26 -4.97 116.55 126.97 2jnk n ASP 91 Ca -0.08 0.57 -0.12 0.00 -0.53 0.00 0.00 54.79 54.62 2jnk n ASP 91 Cb 0.43 1.75 -0.14 0.00 -0.64 0.00 0.00 41.12 42.51 2jnk n ASP 91 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 2jnk h ILE 92 N 0.00 0.86 0.00 0.53 6.09 -2.00 -3.32 117.51 119.67 2jnk h ILE 92 Ca 0.00 -2.67 0.00 0.00 -1.37 0.00 0.00 64.86 60.82 2jnk h ILE 92 Cb 0.00 2.48 0.00 0.00 0.47 0.00 0.00 36.82 39.77 2jnk h ILE 92 CO 0.00 0.62 0.00 0.61 -3.07 0.00 0.00 178.15 176.31 2jnk n GLY 93 N 1.64 -0.60 0.17 8.18 0.00 -1.26 -2.16 105.19 111.16 2jnk n GLY 93 Ca -0.19 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 2jnk n GLY 93 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2jnk h ASP 94 N 0.00 0.59 -0.39 1.61 2.03 -1.93 -0.90 116.42 117.42 2jnk h ASP 94 Ca 0.00 -0.53 -0.20 0.00 -0.73 0.00 0.00 57.03 55.57 2jnk h ASP 94 Cb 0.07 -0.17 -0.12 0.00 -0.83 0.00 0.00 39.33 38.29 2jnk h ASP 94 CO 0.00 1.01 -0.04 0.00 -1.03 0.00 0.00 179.24 179.18 2jnk n LEU 95 N -4.35 4.30 0.00 0.15 -0.00 -0.92 -4.16 117.00 112.02 2jnk n LEU 95 Ca -0.06 -3.76 0.00 0.00 -0.00 0.00 0.00 56.01 52.19 2jnk n LEU 95 Cb 0.48 -0.65 0.00 0.00 -0.00 0.00 0.00 43.42 43.25 2jnk n LEU 95 CO 0.43 1.25 0.00 0.00 -0.00 0.00 0.00 177.39 179.07 2jnk n ALA 96 N -1.11 0.48 -0.50 1.47 0.00 -1.06 -4.92 120.51 114.87 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 -0.94 0.00 0.31 0.00 1.56 -0.39 -4.01 117.12 113.65 2jnk n MET 97 Ca 0.00 0.13 -0.17 0.00 -0.27 0.00 0.00 57.70 57.39 2jnk n MET 97 Cb 0.00 -0.51 -0.09 0.00 2.15 0.00 0.00 33.22 34.77 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 0.46 0.00 1.12 3.04 -1.68 -2.56 116.25 116.63 2jnk h VAL 98 Ca 0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 2jnk h VAL 98 Cb 0.00 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 29.75 2jnk h VAL 98 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.57 175.02 2jnk n SER 99 N -5.40 0.28 0.16 3.17 3.41 -1.26 -1.55 113.62 112.43 2jnk n SER 99 Ca -0.12 0.61 0.02 0.00 -0.26 0.00 0.00 58.87 59.11 2jnk n SER 99 Cb 0.31 -0.65 0.25 0.00 -0.26 0.00 0.00 64.21 63.85 2jnk n SER 99 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2jnk h LYS 100 N 0.00 0.00 0.00 4.33 3.11 -1.59 -3.31 116.57 119.11 2jnk h LYS 100 Ca 0.00 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.75 2jnk h LYS 100 Cb 0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.32 2jnk h LYS 100 CO 0.00 0.50 -0.82 0.09 -2.81 0.00 0.00 179.45 176.41 2jnk n ASN 101 N -3.68 1.83 -2.76 4.20 3.02 -0.59 -5.04 115.26 112.23 2jnk n ASN 101 Ca -0.01 0.55 0.00 0.00 -0.03 0.00 0.00 54.58 55.10 2jnk n ASN 101 Cb 0.56 -0.91 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 2jnk n ASN 101 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2jnk n ILE 102 N -4.54 -0.93 -2.49 2.41 2.08 -1.06 -3.49 119.36 111.34 2jnk n ILE 102 Ca -0.17 0.02 -0.12 0.00 0.56 0.00 0.00 62.75 63.03 2jnk n ILE 102 Cb 0.43 -2.25 0.01 0.00 -0.75 0.00 0.00 39.64 37.08 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 -0.05 0.31 7.39 0.00 0.36 -4.67 105.19 110.87 2jnk n GLY 103 Ca 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 46.02 45.72 2jnk n GLY 103 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jnk h SER 104 N -0.45 0.75 -2.13 1.61 4.64 -1.82 -3.44 113.55 112.70 2jnk h SER 104 Ca -0.29 0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 60.93 2jnk h SER 104 Cb 1.21 -0.12 0.03 0.00 -0.31 0.00 0.00 62.40 63.21 2jnk h SER 104 CO 0.32 0.45 -0.21 0.41 -0.87 0.00 0.00 176.83 176.94 2jnk n THR 105 N -4.69 -0.79 0.00 2.95 -1.04 -1.17 -4.70 114.28 104.85 2jnk n THR 105 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 2jnk n THR 105 Cb 0.24 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 66.71 2jnk n THR 105 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2jnk n THR 106 N -3.49 0.00 -1.37 12.58 5.66 -1.26 -5.00 114.28 121.39 2jnk n THR 106 Ca -0.02 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.59 2jnk n THR 106 Cb 0.53 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.28 2jnk n THR 106 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2jnk n ASN 107 N -0.54 8.22 -0.07 1.09 5.15 -1.26 -4.54 115.26 123.31 2jnk n ASN 107 Ca 0.00 -2.61 0.16 0.00 -0.60 0.00 0.00 54.58 51.52 2jnk n ASN 107 Cb 0.00 -1.57 0.86 0.00 -0.53 0.00 0.00 39.78 38.54 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 3.72 0.00 0.20 -0.44 -1.04 -1.26 -3.87 114.28 111.59 2jnk n THR 108 Ca 0.76 -0.04 0.06 0.00 -2.04 0.00 0.00 64.05 62.79 2jnk n THR 108 Cb 0.25 -0.34 0.29 0.00 -1.82 0.00 0.00 70.33 68.70 2jnk n THR 108 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2jnk n SER 109 N -0.87 0.24 -2.64 8.00 7.64 -1.26 -3.35 113.62 121.38 2jnk n SER 109 Ca 0.22 0.59 -0.01 0.00 1.01 0.00 0.00 58.87 60.68 2jnk n SER 109 Cb 0.16 -0.63 0.08 0.00 -1.01 0.00 0.00 64.21 62.81 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 -1.80 0.15 -4.44 -3.43 -0.00 -1.25 -4.88 117.00 101.34 2jnk n LEU 110 Ca 0.01 -3.02 -0.38 0.00 -0.00 0.00 0.00 56.01 52.61 2jnk n LEU 110 Cb 0.07 0.27 -0.12 0.00 -0.00 0.00 0.00 43.42 43.65 2jnk n LEU 110 CO 0.08 1.32 -0.22 -1.81 -0.00 0.00 0.00 177.39 176.76 2jnk s ASP 111 N -2.48 5.46 0.48 1.45 1.11 -1.21 -4.84 116.67 116.64 2jnk s ASP 111 Ca 0.19 -0.47 0.37 0.00 0.18 0.00 0.00 52.55 52.82 2jnk s ASP 111 Cb 0.37 -1.98 1.53 0.00 1.07 0.00 0.00 42.92 43.91 2jnk s ASP 111 CO -0.08 -0.16 1.62 -0.07 1.18 0.00 0.00 175.17 177.65 2jnk h LEU 112 N 8.32 0.15 0.00 1.23 4.07 -1.85 1.30 115.31 128.53 2jnk h LEU 112 Ca -0.33 0.09 -0.19 0.00 0.08 0.00 0.00 57.88 57.53 2jnk h LEU 112 Cb 1.15 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.94 2jnk h LEU 112 CO 0.60 -0.13 -1.82 0.59 -1.08 0.00 0.00 178.44 176.61 2jnk n ASN 113 N -4.45 0.42 -2.91 -0.43 5.03 -1.26 -3.46 115.26 108.21 2jnk n ASN 113 Ca 0.39 0.19 -0.14 0.00 0.87 0.00 0.00 54.58 55.88 2jnk n ASN 113 Cb 1.60 0.81 -0.01 0.00 -1.02 0.00 0.00 39.78 41.17 2jnk n ASN 113 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 2jnk n LYS 114 N -2.71 -2.68 -0.01 3.52 -0.00 0.45 -4.39 118.16 112.33 2jnk n LYS 114 Ca -0.15 0.32 0.14 0.00 -0.00 0.00 0.00 58.31 58.62 2jnk n LYS 114 Cb 0.87 -4.92 0.61 0.00 -0.00 0.00 0.00 35.03 31.59 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 -1.90 1.02 -0.04 -5.58 -0.08 -1.26 -4.89 116.55 103.81 2jnk n ASP 115 Ca -0.04 -1.40 0.00 0.00 -1.51 0.00 0.00 54.79 51.85 2jnk n ASP 115 Cb 0.54 -0.02 0.00 0.00 2.34 0.00 0.00 41.12 43.98 2jnk n ASP 115 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jnk n GLY 116 N 1.09 1.25 3.15 0.27 0.00 -1.26 -5.06 105.19 104.63 2jnk n GLY 116 Ca 0.19 -0.36 0.06 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.42 -0.12 -0.35 1.61 0.01 -1.26 -3.03 113.70 108.13 2jnk s SER 117 Ca 0.00 0.08 -0.28 0.00 1.31 0.00 0.00 55.95 57.06 2jnk s SER 117 Cb 0.00 1.10 -0.03 0.00 0.21 0.00 0.00 66.02 67.30 2jnk s SER 117 CO 0.00 -0.02 1.95 -0.63 0.41 0.00 0.00 173.24 174.95 2jnk s ILE 118 N 2.99 3.32 0.00 1.44 -1.09 -1.26 -4.35 121.20 122.25 2jnk s ILE 118 Ca -0.08 0.31 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 2jnk s ILE 118 Cb -0.09 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 2jnk s ILE 118 CO -0.08 -0.34 0.00 -0.67 -1.23 0.00 0.00 174.94 172.62 2jnk n ASP 119 N 11.33 0.00 0.04 3.58 2.03 -1.26 0.14 116.55 132.41 2jnk n ASP 119 Ca 0.25 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.65 2jnk n ASP 119 Cb 0.48 0.00 0.37 0.00 -0.72 0.00 0.00 41.12 41.25 2jnk n ASP 119 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jnk n GLU 120 N 0.00 0.07 0.18 -0.67 1.02 -1.26 -2.10 120.64 117.87 2jnk n GLU 120 Ca 0.00 0.31 0.12 0.00 -0.02 0.00 0.00 57.16 57.57 2jnk n GLU 120 Cb 0.00 -1.63 0.22 0.00 -0.02 0.00 0.00 31.44 30.01 2jnk n GLU 120 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 2jnk h TYR 121 N 0.00 0.00 0.00 -0.32 0.05 -1.92 -2.64 116.97 112.14 2jnk h TYR 121 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2jnk h TYR 121 Cb 0.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.03 2jnk h TYR 121 CO 0.00 0.00 -1.19 0.39 -1.05 0.00 0.00 178.16 176.31 2jnk n GLU 122 N -2.84 0.58 -0.06 4.88 -0.58 -0.89 -4.22 120.64 117.50 2jnk n GLU 122 Ca 0.04 0.05 -0.13 0.00 -0.42 0.00 0.00 57.16 56.70 2jnk n GLU 122 Cb 0.50 -1.74 -0.14 0.00 -0.57 0.00 0.00 31.44 29.49 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 -2.52 1.55 -0.27 -3.67 2.08 -1.22 -3.86 119.36 111.44 2jnk n ILE 123 Ca -0.01 -0.76 0.13 0.00 0.56 0.00 0.00 62.75 62.68 2jnk n ILE 123 Cb 0.54 -1.03 0.26 0.00 -0.75 0.00 0.00 39.64 38.66 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 -3.06 -0.05 -0.04 4.38 7.64 -1.00 0.12 113.62 121.61 2jnk n SER 124 Ca -0.30 1.34 -0.16 0.00 1.01 0.00 0.00 58.87 60.77 2jnk n SER 124 Cb 1.08 -0.51 -0.14 0.00 -1.01 0.00 0.00 64.21 63.63 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 -5.08 0.75 0.70 1.43 7.35 -1.24 -4.14 117.46 117.23 2jnk n PHE 125 Ca 0.20 0.20 0.09 0.00 -0.76 0.00 0.00 57.45 57.17 2jnk n PHE 125 Cb 0.66 -1.11 0.41 0.00 0.35 0.00 0.00 39.48 39.78 2jnk n PHE 125 CO 0.00 0.00 0.00 1.51 -0.76 0.00 0.00 176.76 177.51 2jnk n ILE 126 N -3.23 0.66 0.01 -2.13 0.13 0.37 -1.86 119.36 113.31 2jnk n ILE 126 Ca -0.31 0.17 -0.09 0.00 -1.10 0.00 0.00 62.75 61.41 2jnk n ILE 126 Cb 1.05 -0.87 -0.14 0.00 -0.84 0.00 0.00 39.64 38.85 2jnk n ILE 126 CO 0.00 0.00 0.00 -1.13 2.80 0.00 0.00 176.55 178.22 2jnk h ASN 127 N 0.00 0.04 0.00 9.51 -0.73 0.77 -3.37 115.58 121.81 2jnk h ASN 127 Ca 0.00 -0.08 -0.21 0.00 1.87 0.00 0.00 56.30 57.88 2jnk h ASN 127 Cb 0.25 -0.01 -0.03 0.00 0.27 0.00 0.00 38.32 38.79 2jnk h ASN 127 CO 0.00 1.07 -1.39 1.41 -0.37 0.00 0.00 177.43 178.14 2jnk n HIS 128 N -3.17 0.63 -0.56 0.67 8.25 -1.10 -2.87 115.22 117.07 2jnk n HIS 128 Ca -0.13 0.27 0.45 0.00 -0.26 0.00 0.00 57.72 58.05 2jnk n HIS 128 Cb 1.02 -0.93 0.74 0.00 1.12 0.00 0.00 29.99 31.94 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 -1.00 0.02 0.07 -0.41 2.47 -1.60 0.34 114.38 114.27 2jnk h ARG 129 Ca -0.32 -0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.03 2jnk h ARG 129 Cb 1.18 -0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.45 2jnk h ARG 129 CO -0.20 0.01 -2.14 -0.89 0.56 0.00 0.00 179.97 177.32 2jnk n ILE 130 N -4.38 1.65 0.36 2.04 -0.00 -1.26 -4.51 119.36 113.26 2jnk n ILE 130 Ca 0.41 -0.57 -0.16 0.00 -0.00 0.00 0.00 62.75 62.44 2jnk n ILE 130 Cb 1.71 -1.66 -0.08 0.00 -0.00 0.00 0.00 39.64 39.62 2jnk n ILE 130 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.55 176.80 2jnk h LEU 131 N -0.09 -0.95 -8.38 1.39 5.85 -0.35 -3.40 115.31 109.38 2jnk h LEU 131 Ca -0.49 0.05 -0.69 0.00 0.84 0.00 0.00 57.88 57.59 2jnk h LEU 131 Cb 1.91 0.27 -0.26 0.00 0.37 0.00 0.00 40.66 42.96 2jnk h LEU 131 CO -0.02 -0.60 -0.59 0.54 -0.34 0.00 0.00 178.44 177.43 2jnk s ASN 132 N -3.64 5.36 -0.19 1.25 2.20 0.51 -4.93 114.94 115.50 2jnk s ASN 132 Ca -0.15 -0.81 0.13 0.00 -0.94 0.00 0.00 52.86 51.09 2jnk s ASN 132 Cb 0.02 -1.93 -0.23 0.00 -2.00 0.00 0.00 41.25 37.11 2jnk s ASN 132 CO 0.46 -0.25 0.10 0.18 -2.94 0.00 0.00 177.10 174.65 2jnk n LEU 133 N 4.90 0.80 -1.48 3.54 4.32 -1.26 -4.52 117.00 123.30 2jnk n LEU 133 Ca -0.13 0.04 0.18 0.00 -0.02 0.00 0.00 56.01 56.07 2jnk n LEU 133 Cb 0.47 0.12 -0.10 0.00 -1.62 0.00 0.00 43.42 42.29 2jnk n LEU 133 CO 0.33 0.58 -0.65 -0.62 -1.22 0.00 0.00 177.39 175.81 2jnk n GLU 134 N -2.92 -3.41 -1.39 3.23 1.02 -1.26 -4.99 120.64 110.92 2jnk n GLU 134 Ca -0.33 2.79 0.17 0.00 -0.02 0.00 0.00 57.16 59.77 2jnk n GLU 134 Cb 1.11 -3.99 -0.08 0.00 -0.02 0.00 0.00 31.44 28.46 2jnk n GLU 134 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2jnk n HIS 135 N -4.40 -3.67 -3.06 -0.32 8.25 -1.26 -4.95 115.22 105.82 2jnk n HIS 135 Ca -0.10 1.96 -0.00 0.00 -0.26 0.00 0.00 57.72 59.33 2jnk n HIS 135 Cb 0.70 -3.34 -0.00 0.00 1.12 0.00 0.00 29.99 28.47 2jnk n HIS 135 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jnk n HIS 136 N -4.25 -0.89 -3.72 4.41 1.44 -1.26 -4.95 115.22 105.99 2jnk n HIS 136 Ca -0.06 0.43 -0.28 0.00 -2.01 0.00 0.00 57.72 55.81 2jnk n HIS 136 Cb 0.65 -1.64 -0.11 0.00 0.12 0.00 0.00 29.99 29.02 2jnk n HIS 136 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2jnk n HIS 137 N 1.53 2.18 -2.28 -1.40 8.25 -1.26 -5.09 115.22 117.15 2jnk n HIS 137 Ca -0.03 -4.04 -0.42 0.00 -0.26 0.00 0.00 57.72 52.97 2jnk n HIS 137 Cb 0.32 -0.40 -0.03 0.00 1.12 0.00 0.00 29.99 31.00 2jnk n HIS 137 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jnk s HIS 138 N -1.18 3.33 -0.30 4.41 2.46 -1.26 -4.98 115.29 117.77 2jnk s HIS 138 Ca 0.28 1.12 -0.16 0.00 0.47 0.00 0.00 55.06 56.78 2jnk s HIS 138 Cb -0.00 -3.57 0.17 0.00 -0.13 0.00 0.00 32.58 29.06 2jnk s HIS 138 CO -0.16 -1.88 1.15 -1.58 -2.47 0.00 0.00 174.74 169.79 2jnk s HIS 139 N 0.99 -0.27 -2.79 3.88 5.04 -1.26 -5.31 115.29 115.58 2jnk s HIS 139 Ca 0.61 0.27 0.22 0.00 -1.54 0.00 0.00 55.06 54.62 2jnk s HIS 139 Cb -0.34 0.09 0.18 0.00 0.04 0.00 0.00 32.58 32.55 2jnk s HIS 139 CO 0.30 -0.15 1.21 0.72 -2.34 0.00 0.00 174.74 174.48