#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 1.84 0.00 6.12 1.11 -1.26 -3.33 116.67 121.15 2jnk s ASP 2 Ca 0.00 1.40 0.00 0.00 0.18 0.00 0.00 52.55 54.13 2jnk s ASP 2 Cb 0.00 -2.12 0.00 0.00 1.07 0.00 0.00 42.92 41.87 2jnk s ASP 2 CO 0.00 -3.65 0.00 0.29 1.18 0.00 0.00 175.17 172.99 2jnk n LYS 3 N -4.54 0.00 -0.03 8.23 5.02 -1.26 -4.25 118.16 121.33 2jnk n LYS 3 Ca 0.04 0.00 0.24 0.00 -2.02 0.00 0.00 58.31 56.57 2jnk n LYS 3 Cb 0.55 0.00 0.72 0.00 -0.02 0.00 0.00 35.03 36.29 2jnk n LYS 3 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2jnk h THR 4 N 0.00 0.47 0.00 -0.18 2.02 -1.95 -2.02 112.91 111.25 2jnk h THR 4 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2jnk h THR 4 Cb 0.00 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 2jnk h THR 4 CO 0.00 0.00 0.00 -3.20 0.37 0.00 0.00 175.52 172.69 2jnk n ASN 5 N -3.98 0.00 0.21 4.18 4.05 -1.21 0.15 115.26 118.66 2jnk n ASN 5 Ca 0.12 0.98 0.07 0.00 0.45 0.00 0.00 54.58 56.20 2jnk n ASN 5 Cb 0.77 -0.48 0.46 0.00 1.23 0.00 0.00 39.78 41.77 2jnk n ASN 5 CO 0.00 0.00 0.00 0.17 -3.05 0.00 0.00 177.26 174.38 2jnk h LEU 6 N 0.00 0.00 -2.40 1.20 -0.00 -1.84 -0.62 115.31 111.66 2jnk h LEU 6 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2jnk h LEU 6 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2jnk h LEU 6 CO 0.00 0.29 -0.03 1.23 -0.00 0.00 0.00 178.44 179.93 2jnk h GLY 7 N 1.36 0.00 0.96 0.17 0.00 -0.68 1.11 103.07 105.98 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 0.04 0.00 -1.01 -2.21 0.00 0.00 0.00 176.54 173.36 2jnk n GLU 8 N -3.47 0.57 -0.01 4.80 0.00 0.40 -3.10 120.64 119.82 2jnk n GLU 8 Ca -0.02 0.10 0.11 0.00 0.00 0.00 0.00 57.16 57.35 2jnk n GLU 8 Cb 0.14 -1.80 -0.16 0.00 0.00 0.00 0.00 31.44 29.62 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 -2.58 0.10 0.04 4.31 4.77 0.17 -4.14 117.00 119.66 2jnk n LEU 9 Ca 0.00 -0.05 -0.18 0.00 -0.03 0.00 0.00 56.01 55.75 2jnk n LEU 9 Cb 0.54 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.48 2jnk n LEU 9 CO 0.40 0.03 -0.49 0.16 -1.33 0.00 0.00 177.39 176.15 2jnk h ILE 10 N 0.00 0.96 -0.69 -0.08 3.07 0.10 0.84 117.51 121.71 2jnk h ILE 10 Ca 0.00 -2.64 0.01 0.00 1.55 0.00 0.00 64.86 63.79 2jnk h ILE 10 Cb 0.94 2.67 -0.03 0.00 -0.27 0.00 0.00 36.82 40.12 2jnk h ILE 10 CO 0.00 0.80 0.46 0.78 -1.05 0.00 0.00 178.15 179.14 2jnk h ASN 11 N 0.07 0.78 0.25 2.16 2.35 -1.74 0.18 115.58 119.63 2jnk h ASN 11 Ca -0.30 -0.02 -0.21 0.00 -0.55 0.00 0.00 56.30 55.22 2jnk h ASN 11 Cb 2.04 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 40.17 2jnk h ASN 11 CO 0.14 0.56 -1.95 0.00 -1.65 0.00 0.00 177.43 174.53 2jnk n GLN 12 N -4.44 0.66 0.23 0.81 10.64 -1.25 -3.88 117.38 120.15 2jnk n GLN 12 Ca 0.07 0.03 -0.10 0.00 -1.83 0.00 0.00 57.00 55.18 2jnk n GLN 12 Cb 0.05 -1.63 -0.05 0.00 -0.86 0.00 0.00 30.24 27.76 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 3.89 -0.67 1.49 2.61 0.00 0.12 0.93 103.07 111.44 2jnk h GLY 13 Ca -0.28 0.25 0.05 0.00 0.00 0.00 0.00 47.33 47.35 2jnk h GLY 13 CO 0.03 -0.24 0.20 0.50 0.00 0.00 0.00 176.54 177.03 2jnk h LYS 14 N -1.07 0.00 0.00 4.80 1.57 -0.85 0.38 116.57 121.40 2jnk h LYS 14 Ca -0.07 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.53 2jnk h LYS 14 Cb 0.49 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 2jnk h LYS 14 CO 0.11 0.00 -1.29 0.77 -0.57 0.00 0.00 179.45 178.47 2jnk h SER 15 N 0.00 0.00 0.08 0.86 0.02 -1.65 -3.22 113.55 109.63 2jnk h SER 15 Ca 0.09 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2jnk h SER 15 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2jnk h SER 15 CO -0.00 0.70 -0.04 0.25 -1.14 0.00 0.00 176.83 176.60 2jnk h LEU 16 N 0.00 -0.09 -1.33 5.07 5.85 0.47 -1.95 115.31 123.32 2jnk h LEU 16 Ca -0.15 0.00 0.45 0.00 0.84 0.00 0.00 57.88 59.03 2jnk h LEU 16 Cb 1.67 0.02 -0.14 0.00 0.37 0.00 0.00 40.66 42.58 2jnk h LEU 16 CO 0.07 0.05 0.82 0.25 -0.34 0.00 0.00 178.44 179.29 2jnk h LEU 17 N -0.35 0.24 0.18 2.25 5.85 -0.72 1.35 115.31 124.11 2jnk h LEU 17 Ca -0.01 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 2jnk h LEU 17 Cb 0.08 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2jnk h LEU 17 CO 0.02 -0.26 -0.09 0.44 -0.34 0.00 0.00 178.44 178.22 2jnk h ASP 18 N 0.04 -0.20 0.66 1.25 3.32 -1.62 -3.21 116.42 116.65 2jnk h ASP 18 Ca 0.85 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 57.55 2jnk h ASP 18 Cb 2.63 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 42.23 2jnk h ASP 18 CO -0.50 0.33 -0.10 -0.33 -1.72 0.00 0.00 179.24 176.92 2jnk h GLU 19 N -0.85 0.00 -4.67 3.56 5.08 0.15 -3.36 114.58 114.49 2jnk h GLU 19 Ca -0.02 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.62 2jnk h GLU 19 Cb 0.52 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.57 2jnk h GLU 19 CO 0.04 0.10 0.46 -1.54 -1.00 0.00 0.00 179.01 177.07 2jnk s SER 20 N -5.92 6.52 0.14 1.42 1.04 0.43 -4.97 113.70 112.36 2jnk s SER 20 Ca -0.01 -1.99 -0.11 0.00 0.48 0.00 0.00 55.95 54.32 2jnk s SER 20 Cb 0.11 -2.33 -0.06 0.00 0.10 0.00 0.00 66.02 63.84 2jnk s SER 20 CO 0.57 -0.98 0.48 0.54 0.98 0.00 0.00 173.24 174.83 2jnk s VAL 21 N 2.14 4.98 -0.45 5.02 0.11 -1.26 -4.72 120.40 126.23 2jnk s VAL 21 Ca 0.23 0.56 -0.29 0.00 -2.93 0.00 0.00 61.98 59.55 2jnk s VAL 21 Cb -0.12 -3.67 0.02 0.00 -1.53 0.00 0.00 36.38 31.08 2jnk s VAL 21 CO -0.04 0.19 1.27 -1.83 -3.33 0.00 0.00 175.10 171.35 2jnk s GLU 22 N -2.15 3.64 0.00 1.54 -1.05 -1.25 -1.19 118.70 118.24 2jnk s GLU 22 Ca 0.38 0.73 0.00 0.00 -0.15 0.00 0.00 54.97 55.93 2jnk s GLU 22 Cb -0.14 -3.97 0.00 0.00 -0.44 0.00 0.00 34.13 29.59 2jnk s GLU 22 CO 0.19 -1.48 0.00 0.41 0.95 0.00 0.00 175.26 175.33 2jnk n GLY 23 N 4.97 0.83 0.00 -3.83 0.00 0.96 -4.72 105.19 103.39 2jnk n GLY 23 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.79 1.61 1.16 -1.25 -4.60 117.46 110.58 2jnk n PHE 24 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.59 2jnk n PHE 24 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 2jnk n PHE 24 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 2jnk s ASN 25 N 0.00 -0.04 -0.09 5.98 -0.87 -1.23 -4.11 114.94 114.58 2jnk s ASN 25 Ca 0.00 -0.27 -0.37 0.00 -1.57 0.00 0.00 52.86 50.66 2jnk s ASN 25 Cb 0.00 0.24 -0.14 0.00 -0.02 0.00 0.00 41.25 41.32 2jnk s ASN 25 CO 0.00 -0.46 1.69 0.55 -2.57 0.00 0.00 177.10 176.31 2jnk n VAL 26 N -0.66 0.29 0.00 1.60 3.14 -1.26 -0.30 118.33 121.14 2jnk n VAL 26 Ca -0.03 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 2jnk n VAL 26 Cb 0.61 -1.41 0.00 0.00 -1.06 0.00 0.00 33.84 31.98 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 3.84 2.93 3.19 7.55 0.00 -0.65 -5.01 105.19 117.05 2jnk n GLY 27 Ca 0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.53 0.88 0.52 1.61 2.02 0.58 -4.05 118.70 119.74 2jnk s GLU 28 Ca 0.00 -1.05 0.03 0.00 0.02 0.00 0.00 54.97 53.98 2jnk s GLU 28 Cb 0.00 -0.85 0.01 0.00 0.10 0.00 0.00 34.13 33.39 2jnk s GLU 28 CO 0.00 0.18 0.20 1.52 0.02 0.00 0.00 175.26 177.18 2jnk s TYR 29 N -1.56 1.80 -0.82 1.61 1.13 -0.33 -2.46 117.35 116.72 2jnk s TYR 29 Ca 0.02 -0.88 0.02 0.00 -1.41 0.00 0.00 57.07 54.81 2jnk s TYR 29 Cb -0.08 -1.77 0.30 0.00 -1.10 0.00 0.00 41.96 39.31 2jnk s TYR 29 CO 0.02 -0.09 1.22 1.58 -2.51 0.00 0.00 175.55 175.77 2jnk n HIS 30 N -1.49 3.19 -1.47 -3.49 -0.00 -1.26 0.32 115.22 111.03 2jnk n HIS 30 Ca -0.10 -3.37 0.15 0.00 0.46 0.00 0.00 57.72 54.86 2jnk n HIS 30 Cb 0.66 -0.86 -0.08 0.00 -0.12 0.00 0.00 29.99 29.58 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 0.52 -3.47 0.00 1.57 5.02 -1.26 -4.61 118.16 115.92 2jnk n LYS 31 Ca 0.33 2.82 0.00 0.00 -2.02 0.00 0.00 58.31 59.44 2jnk n LYS 31 Cb 0.35 -3.94 0.00 0.00 -0.02 0.00 0.00 35.03 31.43 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 -4.11 2.91 0.21 0.72 0.00 -1.26 -4.87 105.19 98.79 2jnk n GLY 32 Ca -0.08 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.44 -0.03 4.61 0.00 -1.95 -3.26 119.26 118.18 2jnk h ALA 33 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2jnk h ALA 33 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2jnk h ALA 33 CO 0.00 -0.48 0.00 1.63 0.00 0.00 0.00 179.25 180.40 2jnk n LYS 34 N -5.09 0.00 0.00 0.00 4.76 -1.26 -2.72 118.16 113.85 2jnk n LYS 34 Ca -0.08 0.71 0.00 0.00 -2.87 0.00 0.00 58.31 56.07 2jnk n LYS 34 Cb 0.26 -1.07 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 2jnk n LYS 34 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2jnk n ASP 35 N -2.69 0.00 0.00 4.39 8.00 -1.26 -1.92 116.55 123.07 2jnk n ASP 35 Ca 0.00 0.90 0.00 0.00 0.71 0.00 0.00 54.79 56.40 2jnk n ASP 35 Cb 0.00 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 2jnk n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jnk n GLY 36 N -0.94 -0.59 0.35 0.44 0.00 -1.10 0.30 105.19 103.65 2jnk n GLY 36 Ca 0.00 0.13 0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.04 -0.08 0.99 6.46 -1.62 -0.42 115.31 119.59 2jnk h LEU 37 Ca 0.00 0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 58.04 2jnk h LEU 37 Cb 0.00 0.62 -0.00 0.00 -0.73 0.00 0.00 40.66 40.55 2jnk h LEU 37 CO 0.00 -0.30 0.03 0.00 -0.62 0.00 0.00 178.44 177.55 2jnk h THR 38 N -0.02 1.14 -0.95 1.05 1.03 0.66 -1.73 112.91 114.10 2jnk h THR 38 Ca 0.40 -0.43 0.28 0.00 -0.01 0.00 0.00 66.41 66.64 2jnk h THR 38 Cb 0.64 1.28 -0.04 0.00 -1.07 0.00 0.00 68.15 68.96 2jnk h THR 38 CO -0.94 0.12 0.88 0.58 -0.01 0.00 0.00 175.52 176.16 2jnk h VAL 39 N -0.03 0.23 0.02 0.00 2.07 0.62 2.65 116.25 121.82 2jnk h VAL 39 Ca 0.03 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.25 2jnk h VAL 39 Cb 0.17 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 2jnk h VAL 39 CO -0.00 0.00 -1.72 -0.33 0.02 0.00 0.00 177.57 175.54 2jnk h GLU 40 N 0.00 0.04 0.22 1.57 4.39 -1.10 -3.21 114.58 116.48 2jnk h GLU 40 Ca 0.45 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 60.08 2jnk h GLU 40 Cb 2.21 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.89 2jnk h GLU 40 CO -0.00 0.61 -0.10 0.82 -1.16 0.00 0.00 179.01 179.17 2jnk h ILE 41 N 0.01 0.67 -0.77 3.13 1.08 0.46 0.16 117.51 122.25 2jnk h ILE 41 Ca -0.29 -0.99 0.13 0.00 -0.39 0.00 0.00 64.86 63.32 2jnk h ILE 41 Cb 2.01 1.11 -0.14 0.00 -3.07 0.00 0.00 36.82 36.73 2jnk h ILE 41 CO 0.08 0.17 -0.34 0.78 -0.69 0.00 0.00 178.15 178.15 2jnk h ASN 42 N -0.91 -1.21 0.10 1.72 4.21 0.27 1.65 115.58 121.41 2jnk h ASN 42 Ca -0.03 0.26 -0.07 0.00 1.21 0.00 0.00 56.30 57.68 2jnk h ASN 42 Cb 0.50 0.63 -0.01 0.00 -1.12 0.00 0.00 38.32 38.32 2jnk h ASN 42 CO 0.05 -0.29 -0.22 0.11 -1.29 0.00 0.00 177.43 175.79 2jnk h LYS 43 N -0.08 0.22 0.06 0.81 1.79 -1.60 -3.07 116.57 114.70 2jnk h LYS 43 Ca 0.29 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.70 2jnk h LYS 43 Cb 0.57 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2jnk h LYS 43 CO -0.81 0.43 -0.03 0.00 -1.08 0.00 0.00 179.45 177.96 2jnk h ALA 44 N 1.58 -0.08 -0.55 3.86 0.00 0.44 -3.20 119.26 121.31 2jnk h ALA 44 Ca 0.04 -0.29 0.10 0.00 0.00 0.00 0.00 54.91 54.76 2jnk h ALA 44 Cb 0.50 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.21 2jnk h ALA 44 CO 0.03 -0.22 -0.31 0.93 0.00 0.00 0.00 179.25 179.68 2jnk h GLU 45 N -0.73 -0.16 -0.48 0.00 5.08 0.18 1.78 114.58 120.26 2jnk h GLU 45 Ca -0.01 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.50 2jnk h GLU 45 Cb 0.60 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2jnk h GLU 45 CO 0.01 -0.11 0.54 0.93 -1.00 0.00 0.00 179.01 179.38 2jnk h GLU 46 N -0.17 0.00 0.10 2.33 4.39 -1.63 0.15 114.58 119.75 2jnk h GLU 46 Ca 0.22 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.63 2jnk h GLU 46 Cb 0.54 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2jnk h GLU 46 CO -0.64 0.00 -1.58 0.28 -1.16 0.00 0.00 179.01 175.91 2jnk h VAL 47 N 0.00 0.87 -0.64 3.13 2.07 0.22 -2.59 116.25 119.32 2jnk h VAL 47 Ca 0.23 -2.34 0.10 0.00 0.82 0.00 0.00 66.70 65.51 2jnk h VAL 47 Cb 1.30 2.55 -0.07 0.00 -1.52 0.00 0.00 31.29 33.55 2jnk h VAL 47 CO -0.00 0.69 0.25 0.15 0.02 0.00 0.00 177.57 178.68 2jnk h PHE 48 N -0.31 0.43 -0.16 1.57 3.57 0.35 -0.21 116.94 122.18 2jnk h PHE 48 Ca -0.35 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.18 2jnk h PHE 48 Cb 1.77 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.41 2jnk h PHE 48 CO 0.10 0.11 0.00 0.09 -2.23 0.00 0.00 178.31 176.38 2jnk n ASN 49 N -4.98 2.26 -4.88 0.41 3.02 -0.23 -4.95 115.26 105.90 2jnk n ASN 49 Ca 0.10 -1.78 -0.29 0.00 -0.03 0.00 0.00 54.58 52.58 2jnk n ASN 49 Cb 0.29 -0.10 0.08 0.00 -0.61 0.00 0.00 39.78 39.44 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 -1.81 2.28 -0.16 3.52 2.20 -0.09 -5.01 119.74 120.68 2jnk s LYS 50 Ca 0.34 0.30 0.18 0.00 -0.36 0.00 0.00 55.97 56.43 2jnk s LYS 50 Cb 0.20 -1.97 -0.26 0.00 -1.51 0.00 0.00 37.83 34.29 2jnk s LYS 50 CO 0.30 -1.41 0.18 -1.91 -0.36 0.00 0.00 175.35 172.15 2jnk n GLU 51 N -3.23 0.68 -0.21 4.03 4.07 -1.26 -4.07 120.64 120.65 2jnk n GLU 51 Ca 0.07 -0.02 0.04 0.00 -0.06 0.00 0.00 57.16 57.20 2jnk n GLU 51 Cb 0.59 -1.54 0.14 0.00 -0.06 0.00 0.00 31.44 30.57 2jnk n GLU 51 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2jnk n ASP 52 N -2.69 1.95 -1.89 4.31 9.92 -1.26 -4.34 116.55 122.54 2jnk n ASP 52 Ca -0.27 -2.10 -0.04 0.00 -0.53 0.00 0.00 54.79 51.85 2jnk n ASP 52 Cb 1.06 -0.30 -0.05 0.00 -0.64 0.00 0.00 41.12 41.19 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 0.35 3.82 -1.47 2.24 0.00 -1.26 -2.94 120.51 121.25 2jnk n ALA 53 Ca 0.10 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2jnk n ALA 53 Cb 0.35 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 2.12 0.00 0.70 0.00 -2.24 -1.26 -4.24 114.28 109.36 2jnk n THR 54 Ca 0.13 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.04 2jnk n THR 54 Cb 0.46 0.00 0.44 0.00 -2.10 0.00 0.00 70.33 69.14 2jnk n THR 54 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2jnk n GLU 55 N 0.00 0.21 0.00 -0.78 0.28 -1.26 -3.72 120.64 115.37 2jnk n GLU 55 Ca 0.00 0.17 0.00 0.00 -0.16 0.00 0.00 57.16 57.17 2jnk n GLU 55 Cb 0.00 -1.75 0.00 0.00 1.43 0.00 0.00 31.44 31.12 2jnk n GLU 55 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2jnk n GLU 56 N -2.12 0.00 -0.17 3.44 4.07 -1.26 -4.47 120.64 120.13 2jnk n GLU 56 Ca 0.06 0.06 0.20 0.00 -0.06 0.00 0.00 57.16 57.42 2jnk n GLU 56 Cb 0.41 -0.47 0.58 0.00 -0.06 0.00 0.00 31.44 31.90 2jnk n GLU 56 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2jnk h GLU 57 N 0.00 0.26 0.08 5.31 3.07 -1.74 -3.09 114.58 118.47 2jnk h GLU 57 Ca 0.00 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2jnk h GLU 57 Cb 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.85 2jnk h GLU 57 CO 0.00 0.17 -0.04 0.82 -1.40 0.00 0.00 179.01 178.56 2jnk h ILE 58 N 0.27 0.00 -1.13 3.13 1.08 -1.78 0.82 117.51 119.90 2jnk h ILE 58 Ca 0.40 -0.02 0.40 0.00 -0.39 0.00 0.00 64.86 65.25 2jnk h ILE 58 Cb 1.16 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 34.76 2jnk h ILE 58 CO -0.10 0.00 0.67 -0.55 -0.69 0.00 0.00 178.15 177.48 2jnk h ASN 59 N -0.13 0.34 0.87 1.72 -1.07 -1.77 2.23 115.58 117.77 2jnk h ASN 59 Ca -0.01 0.20 -0.19 0.00 0.07 0.00 0.00 56.30 56.36 2jnk h ASN 59 Cb 0.08 0.18 -0.02 0.00 -2.07 0.00 0.00 38.32 36.49 2jnk h ASN 59 CO 0.02 -0.27 -0.91 0.17 0.07 0.00 0.00 177.43 176.50 2jnk h LEU 60 N 0.11 0.04 0.00 6.14 8.10 -1.52 -0.65 115.31 127.52 2jnk h LEU 60 Ca 0.81 -0.03 0.00 0.00 0.11 0.00 0.00 57.88 58.77 2jnk h LEU 60 Cb 2.25 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 42.46 2jnk h LEU 60 CO -0.60 0.93 -0.97 0.00 -4.11 0.00 0.00 178.44 173.69 2jnk n ALA 61 N -2.38 2.70 -0.03 0.17 0.00 0.45 -4.18 120.51 117.24 2jnk n ALA 61 Ca -0.01 -0.26 -0.21 0.00 0.00 0.00 0.00 53.44 52.95 2jnk n ALA 61 Cb 0.86 -1.09 -0.13 0.00 0.00 0.00 0.00 19.45 19.09 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 -2.48 0.71 0.24 0.00 2.85 0.65 -3.82 118.16 116.32 2jnk n LYS 62 Ca 0.01 0.29 0.15 0.00 -1.05 0.00 0.00 58.31 57.70 2jnk n LYS 62 Cb 0.52 -1.68 0.80 0.00 -0.65 0.00 0.00 35.03 34.01 2jnk n LYS 62 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2jnk h GLU 63 N -0.12 0.00 0.04 -1.58 5.08 -1.28 -0.18 114.58 116.55 2jnk h GLU 63 Ca -0.45 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.55 2jnk h GLU 63 Cb 1.91 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.11 2jnk h GLU 63 CO 0.01 0.00 -2.17 0.43 -1.00 0.00 0.00 179.01 176.28 2jnk n SER 64 N -2.58 1.46 0.11 1.42 7.64 -1.26 -4.20 113.62 116.20 2jnk n SER 64 Ca -0.02 0.10 -0.04 0.00 1.01 0.00 0.00 58.87 59.92 2jnk n SER 64 Cb 0.13 -0.23 0.11 0.00 -1.01 0.00 0.00 64.21 63.20 2jnk n SER 64 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2jnk h LEU 65 N 0.02 0.13 -1.61 -3.43 3.38 -1.40 0.18 115.31 112.58 2jnk h LEU 65 Ca -0.47 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 57.48 2jnk h LEU 65 Cb 2.03 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.71 2jnk h LEU 65 CO 0.02 0.77 0.36 1.05 0.09 0.00 0.00 178.44 180.73 2jnk h GLU 66 N 0.08 0.47 -0.17 1.13 4.11 -1.25 -0.89 114.58 118.06 2jnk h GLU 66 Ca -0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2jnk h GLU 66 Cb 1.20 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2jnk h GLU 66 CO 0.10 0.31 0.00 0.41 0.07 0.00 0.00 179.01 179.90 2jnk n GLY 67 N -1.50 4.02 0.03 1.06 0.00 -1.09 -4.15 105.19 103.57 2jnk n GLY 67 Ca 0.07 -0.88 -0.03 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.65 0.26 -0.09 4.61 0.00 0.61 -3.70 120.51 121.56 2jnk n ALA 68 Ca 0.16 -0.34 -0.12 0.00 0.00 0.00 0.00 53.44 53.14 2jnk n ALA 68 Cb 0.69 0.01 0.01 0.00 0.00 0.00 0.00 19.45 20.16 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 -0.42 1.28 -0.12 0.00 3.07 -1.78 0.36 117.51 119.91 2jnk h ILE 69 Ca 0.00 -1.57 0.03 0.00 1.55 0.00 0.00 64.86 64.87 2jnk h ILE 69 Cb 0.29 1.43 -0.00 0.00 -0.27 0.00 0.00 36.82 38.27 2jnk h ILE 69 CO 0.00 0.52 0.16 0.00 -1.05 0.00 0.00 178.15 177.78 2jnk h ALA 70 N 0.86 1.62 0.07 0.16 0.00 -1.73 0.92 119.26 121.15 2jnk h ALA 70 Ca 0.05 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.70 2jnk h ALA 70 Cb 0.97 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2jnk h ALA 70 CO 0.09 -0.22 -1.39 -0.09 0.00 0.00 0.00 179.25 177.64 2jnk h ARG 71 N 0.00 0.14 -0.15 0.00 1.12 -1.45 -3.39 114.38 110.67 2jnk h ARG 71 Ca 0.06 -0.25 -0.00 0.00 -1.11 0.00 0.00 59.98 58.67 2jnk h ARG 71 Cb 0.38 0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.42 2jnk h ARG 71 CO -0.00 1.12 0.08 0.35 -3.11 0.00 0.00 179.97 178.40 2jnk h PHE 72 N -0.52 0.21 -1.69 2.20 3.04 0.53 -2.77 116.94 117.93 2jnk h PHE 72 Ca -0.33 -0.01 0.53 0.00 3.98 0.00 0.00 57.97 62.14 2jnk h PHE 72 Cb 1.60 -0.07 -0.11 0.00 2.56 0.00 0.00 35.95 39.94 2jnk h PHE 72 CO 0.11 0.23 1.16 0.09 -2.02 0.00 0.00 178.31 177.88 2jnk n ASN 73 N -4.92 0.11 -2.39 0.41 3.02 0.31 0.14 115.26 111.94 2jnk n ASN 73 Ca -0.05 1.20 -0.35 0.00 -0.03 0.00 0.00 54.58 55.36 2jnk n ASN 73 Cb 0.08 -0.60 0.07 0.00 -0.61 0.00 0.00 39.78 38.73 2jnk n ASN 73 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2jnk n SER 74 N -4.34 7.46 0.00 6.41 7.64 -1.05 -4.35 113.62 125.40 2jnk n SER 74 Ca 0.43 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.51 2jnk n SER 74 Cb 1.80 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 64.06 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 -0.85 0.46 -2.16 -3.43 4.77 0.38 -3.50 117.00 112.67 2jnk n LEU 75 Ca 0.60 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.49 2jnk n LEU 75 Cb 0.63 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.59 2jnk n LEU 75 CO 0.73 0.08 1.38 0.00 -1.33 0.00 0.00 177.39 178.25 2jnk n LEU 76 N -1.79 4.01 -3.57 2.23 -0.00 -1.25 -4.00 117.00 112.63 2jnk n LEU 76 Ca 0.00 -2.54 -0.23 0.00 -0.00 0.00 0.00 56.01 53.24 2jnk n LEU 76 Cb 0.39 -1.07 0.05 0.00 -0.00 0.00 0.00 43.42 42.79 2jnk n LEU 76 CO 0.00 1.15 -0.04 -0.38 -0.00 0.00 0.00 177.39 178.12 2jnk n ILE 77 N 2.66 -6.19 0.00 1.47 2.08 -1.03 -1.63 119.36 116.72 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 0.68 -4.71 0.00 0.00 -0.75 0.00 0.00 39.64 34.85 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 -3.97 0.00 -0.09 0.38 -0.58 -1.25 -4.15 120.64 110.97 2jnk n GLU 78 Ca -0.17 0.00 0.21 0.00 -0.42 0.00 0.00 57.16 56.78 2jnk n GLU 78 Cb 0.63 0.00 0.33 0.00 -0.57 0.00 0.00 31.44 31.83 2jnk n GLU 78 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2jnk n GLU 79 N 0.00 0.02 -1.64 3.49 1.02 -1.26 0.14 120.64 122.41 2jnk n GLU 79 Ca 0.00 0.98 0.01 0.00 -0.02 0.00 0.00 57.16 58.13 2jnk n GLU 79 Cb 0.00 -2.48 0.07 0.00 -0.02 0.00 0.00 31.44 29.01 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 -3.02 1.63 0.27 1.62 2.88 -1.26 -4.84 113.62 110.90 2jnk n SER 80 Ca 0.18 -2.57 0.15 0.00 -1.33 0.00 0.00 58.87 55.30 2jnk n SER 80 Cb 1.38 -0.39 0.77 0.00 -0.75 0.00 0.00 64.21 65.22 2jnk n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jnk h THR 81 N 4.99 0.35 -1.06 2.46 1.03 0.11 -3.06 112.91 117.72 2jnk h THR 81 Ca -0.11 -0.51 0.31 0.00 -0.01 0.00 0.00 66.41 66.10 2jnk h THR 81 Cb 1.54 1.37 -0.13 0.00 -1.07 0.00 0.00 68.15 69.86 2jnk h THR 81 CO 0.16 0.08 0.64 1.23 -0.01 0.00 0.00 175.52 177.62 2jnk h GLY 82 N 1.10 1.72 -7.37 2.99 0.00 -1.89 -3.22 103.07 96.41 2jnk h GLY 82 Ca -0.00 -0.22 -0.55 0.00 0.00 0.00 0.00 47.33 46.56 2jnk h GLY 82 CO 0.01 -0.35 1.89 1.22 0.00 0.00 0.00 176.54 179.31 2jnk n ASP 83 N -4.87 3.86 0.14 0.19 9.92 -1.16 -4.57 116.55 120.07 2jnk n ASP 83 Ca 0.30 -2.80 -0.06 0.00 -0.53 0.00 0.00 54.79 51.70 2jnk n ASP 83 Cb 0.99 -1.67 -0.03 0.00 -0.64 0.00 0.00 41.12 39.77 2jnk n ASP 83 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2jnk h PHE 84 N 8.25 -0.34 0.00 1.24 0.04 -1.83 -2.98 116.94 121.32 2jnk h PHE 84 Ca 0.37 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.13 2jnk h PHE 84 Cb 0.85 0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.11 2jnk h PHE 84 CO 1.33 -0.21 0.00 0.09 -0.60 0.00 0.00 178.31 178.92 2jnk n ASN 85 N -3.08 0.66 0.00 2.17 3.02 -1.26 -4.83 115.26 111.93 2jnk n ASN 85 Ca -0.05 0.71 0.00 0.00 -0.03 0.00 0.00 54.58 55.21 2jnk n ASN 85 Cb 0.15 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 38.49 2jnk n ASN 85 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jnk n GLY 86 N -0.43 0.79 0.17 7.41 0.00 -1.13 -4.87 105.19 107.13 2jnk n GLY 86 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.88 -3.47 115.58 114.19 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 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 2jnk h ASN 87 CO 0.00 0.39 0.00 0.61 -1.65 0.00 0.00 177.43 176.78 2jnk n GLY 88 N 0.75 1.61 2.87 2.83 0.00 -1.26 -5.10 105.19 106.88 2jnk n GLY 88 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.33 1.31 -0.51 1.61 -2.85 -1.26 -5.07 119.74 112.63 2jnk s LYS 89 Ca 0.00 -0.42 -0.02 0.00 -1.00 0.00 0.00 55.97 54.52 2jnk s LYS 89 Cb 0.00 -1.87 0.13 0.00 -2.06 0.00 0.00 37.83 34.03 2jnk s LYS 89 CO 0.00 -0.42 0.31 0.42 0.10 0.00 0.00 175.35 175.76 2jnk s ILE 90 N 1.69 3.42 0.32 3.79 -1.09 -1.26 -4.59 121.20 123.48 2jnk s ILE 90 Ca 0.01 -2.52 0.00 0.00 -2.23 0.00 0.00 60.65 55.91 2jnk s ILE 90 Cb -0.15 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.44 2jnk s ILE 90 CO -0.08 -0.78 0.00 -0.67 -1.23 0.00 0.00 174.94 172.19 2jnk n ASP 91 N 4.03 -2.88 -0.47 3.58 -0.08 -1.26 -4.93 116.55 114.54 2jnk n ASP 91 Ca 0.03 0.76 0.13 0.00 -1.51 0.00 0.00 54.79 54.20 2jnk n ASP 91 Cb 0.39 2.82 0.29 0.00 2.34 0.00 0.00 41.12 46.96 2jnk n ASP 91 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jnk n ILE 92 N -3.27 0.00 1.75 5.18 0.00 -1.26 -3.94 119.36 117.82 2jnk n ILE 92 Ca 0.00 -0.24 0.15 0.00 0.00 0.00 0.00 62.75 62.66 2jnk n ILE 92 Cb 0.00 0.78 0.82 0.00 0.00 0.00 0.00 39.64 41.24 2jnk n ILE 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jnk n GLY 93 N 1.32 -0.94 0.12 4.50 0.00 -1.26 -2.73 105.19 106.20 2jnk n GLY 93 Ca 0.13 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 2jnk n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jnk n ASP 94 N -0.93 1.24 -1.54 1.61 5.68 -1.25 -2.47 116.55 118.89 2jnk n ASP 94 Ca 0.20 0.03 -0.10 0.00 -0.50 0.00 0.00 54.79 54.41 2jnk n ASP 94 Cb 0.19 0.01 0.20 0.00 -1.14 0.00 0.00 41.12 40.37 2jnk n ASP 94 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2jnk n LEU 95 N -3.11 5.07 0.00 -2.12 -0.00 -1.23 -3.82 117.00 111.80 2jnk n LEU 95 Ca -0.36 -3.68 0.00 0.00 -0.00 0.00 0.00 56.01 51.97 2jnk n LEU 95 Cb 1.06 -0.71 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 2jnk n LEU 95 CO 0.36 1.16 0.00 0.00 -0.00 0.00 0.00 177.39 178.91 2jnk n ALA 96 N -1.07 0.02 -0.47 1.96 0.00 -1.10 -4.95 120.51 114.90 2jnk n ALA 96 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2jnk n ALA 96 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.71 2jnk n ALA 96 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2jnk n MET 97 N -1.29 0.00 0.34 0.00 1.56 -1.14 -3.81 117.12 112.79 2jnk n MET 97 Ca 0.00 0.23 -0.17 0.00 -0.27 0.00 0.00 57.70 57.49 2jnk n MET 97 Cb 0.00 -0.70 -0.09 0.00 2.15 0.00 0.00 33.22 34.58 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 0.39 0.00 1.12 3.04 -1.71 -2.49 116.25 116.60 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 0.40 0.00 0.00 -2.01 0.00 0.00 31.29 29.68 2jnk h VAL 98 CO 0.00 0.00 0.26 0.28 -1.01 0.00 0.00 177.57 177.10 2jnk h SER 99 N -0.84 0.00 0.03 3.17 0.02 -1.82 -0.31 113.55 113.80 2jnk h SER 99 Ca -0.09 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.61 2jnk h SER 99 Cb 0.64 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.20 2jnk h SER 99 CO 0.14 0.00 -0.99 0.50 -1.14 0.00 0.00 176.83 175.34 2jnk h LYS 100 N 0.00 0.67 0.00 3.45 3.11 -1.54 -3.36 116.57 118.90 2jnk h LYS 100 Ca 0.00 -0.69 -0.02 0.00 -2.81 0.00 0.00 60.65 57.13 2jnk h LYS 100 Cb 0.51 0.19 -0.00 0.00 -1.00 0.00 0.00 32.23 31.93 2jnk h LYS 100 CO 0.00 1.28 -0.16 -0.91 -2.81 0.00 0.00 179.45 176.85 2jnk h ASN 101 N 0.39 0.00 -3.11 4.20 2.35 -1.09 -3.49 115.58 114.84 2jnk h ASN 101 Ca -0.11 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 2jnk h ASN 101 Cb 1.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.00 2jnk h ASN 101 CO 0.19 0.79 -0.03 -0.38 -1.65 0.00 0.00 177.43 176.35 2jnk n ILE 102 N -4.67 -0.53 -2.77 2.81 2.08 -0.54 -3.27 119.36 112.47 2jnk n ILE 102 Ca -0.07 0.02 -0.11 0.00 0.56 0.00 0.00 62.75 63.15 2jnk n ILE 102 Cb 0.25 -1.26 0.02 0.00 -0.75 0.00 0.00 39.64 37.91 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 1.71 0.18 0.15 7.39 0.00 0.17 -4.69 105.19 110.10 2jnk n GLY 103 Ca 0.00 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 2jnk n GLY 103 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jnk h SER 104 N -0.89 0.76 0.00 1.61 0.02 -1.81 -3.45 113.55 109.79 2jnk h SER 104 Ca -0.25 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 59.79 2jnk h SER 104 Cb 1.17 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2jnk h SER 104 CO 0.26 1.61 0.00 0.41 -1.14 0.00 0.00 176.83 177.97 2jnk n THR 105 N -3.84 0.00 0.00 -2.27 -1.04 -1.20 -4.74 114.28 101.19 2jnk n THR 105 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 2jnk n THR 105 Cb 1.01 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.52 2jnk n THR 105 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2jnk n THR 106 N 0.00 0.00 -2.50 12.58 -2.24 -1.26 -3.79 114.28 117.08 2jnk n THR 106 Ca 0.00 1.14 -0.41 0.00 -2.27 0.00 0.00 64.05 62.51 2jnk n THR 106 Cb 0.00 -2.06 -0.01 0.00 -2.10 0.00 0.00 70.33 66.16 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 -1.03 4.71 0.08 3.42 5.15 -1.26 -4.65 115.26 121.67 2jnk n ASN 107 Ca 0.00 -2.89 0.09 0.00 -0.60 0.00 0.00 54.58 51.17 2jnk n ASN 107 Cb 0.00 -1.74 -0.03 0.00 -0.53 0.00 0.00 39.78 37.47 2jnk n ASN 107 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 2jnk n THR 108 N 6.50 0.69 0.24 -0.44 -1.04 -1.25 -4.02 114.28 114.97 2jnk n THR 108 Ca 0.49 -0.58 0.17 0.00 -2.04 0.00 0.00 64.05 62.08 2jnk n THR 108 Cb 0.46 -0.39 0.76 0.00 -1.82 0.00 0.00 70.33 69.33 2jnk n THR 108 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 2jnk h SER 109 N 0.00 0.00 -0.44 8.00 0.87 -1.92 0.53 113.55 120.58 2jnk h SER 109 Ca -0.04 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.47 2jnk h SER 109 Cb 1.14 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.07 2jnk h SER 109 CO 0.01 0.00 0.06 -0.11 -0.53 0.00 0.00 176.83 176.26 2jnk n LEU 110 N -3.17 4.53 -4.40 2.23 0.00 -1.26 -4.85 117.00 110.08 2jnk n LEU 110 Ca 0.02 -2.31 -0.37 0.00 0.00 0.00 0.00 56.01 53.35 2jnk n LEU 110 Cb 0.50 -0.65 -0.13 0.00 0.00 0.00 0.00 43.42 43.15 2jnk n LEU 110 CO 0.18 0.56 -0.28 -1.81 0.00 0.00 0.00 177.39 176.04 2jnk s ASP 111 N -0.56 5.07 0.50 1.96 1.11 0.18 -4.88 116.67 120.06 2jnk s ASP 111 Ca 0.39 -0.40 0.42 0.00 0.18 0.00 0.00 52.55 53.15 2jnk s ASP 111 Cb 0.30 -1.90 1.63 0.00 1.07 0.00 0.00 42.92 44.02 2jnk s ASP 111 CO 0.11 -0.09 1.56 0.18 1.18 0.00 0.00 175.17 178.11 2jnk n LEU 112 N 4.90 0.10 -0.13 1.23 4.32 -1.26 -0.58 117.00 125.57 2jnk n LEU 112 Ca -0.16 1.17 -0.22 0.00 -0.02 0.00 0.00 56.01 56.78 2jnk n LEU 112 Cb 0.50 -0.58 -0.11 0.00 -1.62 0.00 0.00 43.42 41.61 2jnk n LEU 112 CO 0.31 -1.23 -1.37 0.59 -1.22 0.00 0.00 177.39 174.48 2jnk n ASN 113 N -4.28 1.98 -0.51 -1.43 5.03 -1.23 -3.51 115.26 111.31 2jnk n ASN 113 Ca 0.43 0.06 -0.03 0.00 0.87 0.00 0.00 54.58 55.90 2jnk n ASN 113 Cb 1.82 -0.56 0.00 0.00 -1.02 0.00 0.00 39.78 40.02 2jnk n ASN 113 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2jnk n LYS 114 N -3.64 -0.49 0.00 3.52 5.02 0.25 -4.15 118.16 118.67 2jnk n LYS 114 Ca -0.48 0.15 0.14 0.00 -2.02 0.00 0.00 58.31 56.09 2jnk n LYS 114 Cb 0.93 -3.62 0.71 0.00 -0.02 0.00 0.00 35.03 33.03 2jnk n LYS 114 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2jnk n ASP 115 N 1.26 0.00 -0.01 4.39 2.03 -1.26 -4.86 116.55 118.10 2jnk n ASP 115 Ca -0.03 -0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.12 2jnk n ASP 115 Cb 0.52 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 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 1.61 3.17 0.27 0.00 -1.26 -5.07 105.19 104.96 2jnk n GLY 116 Ca 0.14 -0.20 0.05 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.22 -0.17 -0.44 1.61 0.01 -1.26 -3.25 113.70 107.97 2jnk s SER 117 Ca 0.00 0.15 -0.27 0.00 1.31 0.00 0.00 55.95 57.13 2jnk s SER 117 Cb 0.00 1.16 -0.04 0.00 0.21 0.00 0.00 66.02 67.36 2jnk s SER 117 CO 0.00 -0.03 2.02 -0.63 0.41 0.00 0.00 173.24 175.00 2jnk s ILE 118 N 2.71 3.27 0.00 1.44 -1.09 -1.26 -4.41 121.20 121.85 2jnk s ILE 118 Ca -0.05 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.59 2jnk s ILE 118 Cb -0.07 -3.51 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 2jnk s ILE 118 CO -0.11 -0.42 0.00 -0.67 -1.23 0.00 0.00 174.94 172.51 2jnk n ASP 119 N 12.54 0.00 -0.31 3.58 -0.08 -1.26 -0.66 116.55 130.37 2jnk n ASP 119 Ca 0.26 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.51 2jnk n ASP 119 Cb 0.50 0.00 0.12 0.00 2.34 0.00 0.00 41.12 44.08 2jnk n ASP 119 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2jnk h GLU 120 N 0.00 1.20 -0.24 -0.67 4.39 -1.96 -2.06 114.58 115.24 2jnk h GLU 120 Ca 0.00 -0.13 0.07 0.00 0.34 0.00 0.00 59.36 59.64 2jnk h GLU 120 Cb 0.00 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.40 2jnk h GLU 120 CO 0.00 0.87 0.40 1.88 -1.16 0.00 0.00 179.01 180.99 2jnk h TYR 121 N 1.21 0.00 0.00 4.33 0.05 -1.92 0.63 116.97 121.27 2jnk h TYR 121 Ca 0.31 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.95 2jnk h TYR 121 Cb 0.01 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 2jnk h TYR 121 CO 0.01 0.00 -1.53 0.39 -1.05 0.00 0.00 178.16 175.98 2jnk n GLU 122 N -3.38 0.63 -0.06 4.88 -0.58 -0.78 -4.24 120.64 117.11 2jnk n GLU 122 Ca 0.03 0.12 -0.14 0.00 -0.42 0.00 0.00 57.16 56.75 2jnk n GLU 122 Cb 0.52 -1.74 -0.14 0.00 -0.57 0.00 0.00 31.44 29.51 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 -2.74 1.56 -0.46 -3.67 2.08 0.19 -4.38 119.36 111.93 2jnk n ILE 123 Ca -0.09 -0.74 0.37 0.00 0.56 0.00 0.00 62.75 62.85 2jnk n ILE 123 Cb 0.78 -1.10 0.59 0.00 -0.75 0.00 0.00 39.64 39.16 2jnk n ILE 123 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 2jnk n SER 124 N -3.10 0.09 0.00 4.38 3.41 0.20 0.83 113.62 119.43 2jnk n SER 124 Ca -0.31 0.96 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 2jnk n SER 124 Cb 1.07 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 2jnk n SER 124 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2jnk n PHE 125 N -3.95 0.00 0.13 7.33 7.35 -1.26 -3.84 117.46 123.23 2jnk n PHE 125 Ca 0.34 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.89 2jnk n PHE 125 Cb 1.41 -0.22 -0.06 0.00 0.35 0.00 0.00 39.48 40.96 2jnk n PHE 125 CO 0.00 0.00 0.00 -0.84 -0.76 0.00 0.00 176.76 175.16 2jnk h ILE 126 N 0.00 0.36 -1.22 -2.13 -2.65 -1.62 0.12 117.51 110.37 2jnk h ILE 126 Ca 0.00 0.00 0.44 0.00 1.03 0.00 0.00 64.86 66.33 2jnk h ILE 126 Cb 0.00 0.36 -0.15 0.00 -2.05 0.00 0.00 36.82 34.98 2jnk h ILE 126 CO 0.00 0.00 0.74 -1.13 0.03 0.00 0.00 178.15 177.79 2jnk h ASN 127 N -0.54 0.27 0.57 2.16 -0.73 0.19 1.02 115.58 118.52 2jnk h ASN 127 Ca 0.02 0.19 -0.03 0.00 1.87 0.00 0.00 56.30 58.35 2jnk h ASN 127 Cb 0.55 0.19 -0.01 0.00 0.27 0.00 0.00 38.32 39.33 2jnk h ASN 127 CO -0.15 -0.31 -1.45 1.41 -0.37 0.00 0.00 177.43 176.56 2jnk n HIS 128 N -4.93 0.59 0.00 0.67 8.25 -0.81 -3.88 115.22 115.11 2jnk n HIS 128 Ca 0.39 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 58.02 2jnk n HIS 128 Cb 1.42 -0.81 0.00 0.00 1.12 0.00 0.00 29.99 31.72 2jnk n HIS 128 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2jnk n ARG 129 N -2.55 0.00 0.22 -0.41 5.12 0.32 -3.46 116.66 115.89 2jnk n ARG 129 Ca -0.04 0.08 0.15 0.00 -1.93 0.00 0.00 57.85 56.11 2jnk n ARG 129 Cb 0.61 -0.52 0.78 0.00 -1.16 0.00 0.00 32.46 32.17 2jnk n ARG 129 CO 0.00 0.00 0.00 -0.84 -1.93 0.00 0.00 177.63 174.86 2jnk h ILE 130 N 0.00 0.00 0.00 0.55 -0.00 -0.69 -1.63 117.51 115.74 2jnk h ILE 130 Ca 0.00 -0.02 -0.33 0.00 -0.00 0.00 0.00 64.86 64.51 2jnk h ILE 130 Cb 0.00 0.67 -0.06 0.00 -0.00 0.00 0.00 36.82 37.43 2jnk h ILE 130 CO 0.00 0.00 -2.04 -0.11 -0.00 0.00 0.00 178.15 176.00 2jnk n LEU 131 N -2.52 0.46 0.14 0.16 0.00 -1.11 -4.18 117.00 109.96 2jnk n LEU 131 Ca -0.02 0.21 0.04 0.00 0.00 0.00 0.00 56.01 56.24 2jnk n LEU 131 Cb 0.06 0.32 0.45 0.00 0.00 0.00 0.00 43.42 44.25 2jnk n LEU 131 CO 0.13 0.45 0.95 0.78 0.00 0.00 0.00 177.39 179.70 2jnk h ASN 132 N 0.00 0.18 -0.92 1.96 -0.26 -1.32 -2.21 115.58 113.01 2jnk h ASN 132 Ca -0.42 -0.03 -0.57 0.00 -0.56 0.00 0.00 56.30 54.73 2jnk h ASN 132 Cb 2.13 -0.05 -0.27 0.00 -1.06 0.00 0.00 38.32 39.07 2jnk h ASN 132 CO 0.05 0.28 0.73 0.18 -1.06 0.00 0.00 177.43 177.62 2jnk n LEU 133 N -4.35 7.11 -3.17 1.61 4.77 -1.15 -4.67 117.00 117.15 2jnk n LEU 133 Ca -0.01 -3.86 -0.05 0.00 -0.03 0.00 0.00 56.01 52.06 2jnk n LEU 133 Cb 0.21 -0.92 -0.02 0.00 -2.33 0.00 0.00 43.42 40.35 2jnk n LEU 133 CO 0.37 1.27 0.03 -1.61 -1.33 0.00 0.00 177.39 176.11 2jnk s GLU 134 N -3.33 0.84 -0.16 3.23 2.02 -0.83 -5.02 118.70 115.45 2jnk s GLU 134 Ca 0.57 -0.62 -0.18 0.00 0.02 0.00 0.00 54.97 54.76 2jnk s GLU 134 Cb 0.46 -0.17 -0.23 0.00 0.10 0.00 0.00 34.13 34.29 2jnk s GLU 134 CO 0.03 -1.23 0.36 1.12 0.02 0.00 0.00 175.26 175.56 2jnk h HIS 135 N 6.57 0.20 -1.68 1.61 2.07 -1.83 -3.47 115.15 118.61 2jnk h HIS 135 Ca 0.06 -0.14 0.28 0.00 -2.85 0.00 0.00 60.37 57.72 2jnk h HIS 135 Cb 1.13 -0.01 -0.12 0.00 2.57 0.00 0.00 27.41 30.99 2jnk h HIS 135 CO 0.18 1.53 0.74 -1.58 -3.07 0.00 0.00 177.93 175.73 2jnk s HIS 136 N -2.42 -0.07 -0.29 6.12 2.46 -1.26 -5.14 115.29 114.69 2jnk s HIS 136 Ca -0.25 -0.07 -0.03 0.00 0.47 0.00 0.00 55.06 55.18 2jnk s HIS 136 Cb 0.05 0.57 0.10 0.00 -0.13 0.00 0.00 32.58 33.17 2jnk s HIS 136 CO 0.67 -0.41 0.12 -1.58 -2.47 0.00 0.00 174.74 171.07 2jnk s HIS 137 N -2.65 0.76 -0.43 3.88 5.04 -1.26 -4.99 115.29 115.64 2jnk s HIS 137 Ca 0.13 -1.12 0.04 0.00 -1.54 0.00 0.00 55.06 52.57 2jnk s HIS 137 Cb 0.03 -1.14 0.50 0.00 0.04 0.00 0.00 32.58 32.01 2jnk s HIS 137 CO -0.03 -0.83 1.64 -2.39 -2.34 0.00 0.00 174.74 170.80 2jnk n HIS 138 N 5.12 2.43 -3.24 3.88 1.44 -1.26 -5.00 115.22 118.60 2jnk n HIS 138 Ca -0.05 -2.23 -0.39 0.00 -2.01 0.00 0.00 57.72 53.05 2jnk n HIS 138 Cb 0.42 -0.82 -0.06 0.00 0.12 0.00 0.00 29.99 29.66 2jnk n HIS 138 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2jnk s HIS 139 N -3.52 3.64 0.00 -1.40 4.02 -1.26 -5.36 115.29 111.41 2jnk s HIS 139 Ca 0.54 1.12 0.00 0.00 1.02 0.00 0.00 55.06 57.74 2jnk s HIS 139 Cb 0.45 -2.59 0.00 0.00 -1.02 0.00 0.00 32.58 29.42 2jnk s HIS 139 CO 0.02 0.32 0.00 1.58 1.02 0.00 0.00 174.74 177.68