#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 0.85 -2.68 6.12 8.00 -1.26 -4.87 116.55 122.71 2jnk n ASP 2 Ca 0.00 -1.66 -0.34 0.00 0.71 0.00 0.00 54.79 53.50 2jnk n ASP 2 Cb 0.00 -0.28 0.02 0.00 -0.02 0.00 0.00 41.12 40.85 2jnk n ASP 2 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2jnk n LYS 3 N -1.80 3.06 -0.10 -1.24 2.85 -1.26 -4.74 118.16 114.93 2jnk n LYS 3 Ca 0.08 -3.95 0.02 0.00 -1.05 0.00 0.00 58.31 53.41 2jnk n LYS 3 Cb 0.30 -2.26 0.32 0.00 -0.65 0.00 0.00 35.03 32.74 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 2.21 1.16 -1.06 0.58 2.02 -1.95 -1.90 112.91 113.96 2jnk h THR 4 Ca 0.45 -0.33 0.30 0.00 0.77 0.00 0.00 66.41 67.60 2jnk h THR 4 Cb 0.49 0.35 -0.06 0.00 -1.74 0.00 0.00 68.15 67.19 2jnk h THR 4 CO 1.17 0.16 0.74 0.78 0.37 0.00 0.00 175.52 178.74 2jnk h ASN 5 N 0.77 0.14 0.00 4.18 -0.26 -1.97 0.36 115.58 118.80 2jnk h ASN 5 Ca 0.21 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 2jnk h ASN 5 Cb -0.05 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 2jnk h ASN 5 CO -0.04 0.03 -0.01 -0.07 -1.06 0.00 0.00 177.43 176.28 2jnk h LEU 6 N 0.13 0.00 -1.48 1.61 -0.00 -1.74 -2.45 115.31 111.39 2jnk h LEU 6 Ca 0.53 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 58.49 2jnk h LEU 6 Cb 1.87 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.52 2jnk h LEU 6 CO -0.09 0.19 0.62 1.23 -0.00 0.00 0.00 178.44 180.39 2jnk h GLY 7 N -0.38 0.00 0.76 0.83 0.00 -1.38 1.69 103.07 104.59 2jnk h GLY 7 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 2jnk h GLY 7 CO 0.00 0.00 -1.40 -1.84 0.00 0.00 0.00 176.54 173.30 2jnk n GLU 8 N -3.09 0.62 -0.02 4.80 -0.00 0.12 -2.51 120.64 120.57 2jnk n GLU 8 Ca 0.04 0.10 0.08 0.00 -0.00 0.00 0.00 57.16 57.38 2jnk n GLU 8 Cb 0.73 -1.75 -0.17 0.00 -0.00 0.00 0.00 31.44 30.25 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 -2.69 0.00 -0.07 -1.84 4.77 0.32 -4.52 117.00 112.98 2jnk n LEU 9 Ca -0.06 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.71 2jnk n LEU 9 Cb 0.69 0.06 -0.13 0.00 -2.33 0.00 0.00 43.42 41.72 2jnk n LEU 9 CO 0.42 0.06 -1.06 2.30 -1.33 0.00 0.00 177.39 177.79 2jnk n ILE 10 N -2.31 1.63 -0.31 -0.08 -5.35 0.49 -3.23 119.36 110.20 2jnk n ILE 10 Ca -0.07 -0.55 0.09 0.00 -0.27 0.00 0.00 62.75 61.94 2jnk n ILE 10 Cb 0.63 -1.64 0.20 0.00 -1.74 0.00 0.00 39.64 37.08 2jnk n ILE 10 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 2jnk h ASN 11 N -0.13 -0.56 0.72 7.28 2.35 -1.63 1.10 115.58 124.71 2jnk h ASN 11 Ca -0.50 0.25 -0.20 0.00 -0.55 0.00 0.00 56.30 55.30 2jnk h ASN 11 Cb 1.89 0.47 -0.02 0.00 0.05 0.00 0.00 38.32 40.71 2jnk h ASN 11 CO -0.05 -0.29 -0.92 0.06 -1.65 0.00 0.00 177.43 174.59 2jnk h GLN 12 N 0.04 0.12 0.44 0.81 3.07 -1.79 -2.94 115.11 114.85 2jnk h GLN 12 Ca 0.49 -0.14 -0.02 0.00 0.09 0.00 0.00 58.65 59.07 2jnk h GLN 12 Cb 0.90 0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.51 2jnk h GLN 12 CO -0.85 0.95 -0.24 0.78 0.09 0.00 0.00 178.83 179.55 2jnk h GLY 13 N 2.19 -0.77 2.00 0.06 0.00 0.11 1.07 103.07 107.73 2jnk h GLY 13 Ca -0.04 0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 2jnk h GLY 13 CO 0.13 -0.27 -0.01 0.07 0.00 0.00 0.00 176.54 176.46 2jnk h LYS 14 N -0.64 0.00 -0.00 4.80 -0.00 -0.96 0.11 116.57 119.88 2jnk h LYS 14 Ca -0.06 0.00 -0.19 0.00 -0.00 0.00 0.00 60.65 60.40 2jnk h LYS 14 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.72 2jnk h LYS 14 CO 0.08 0.01 -0.86 1.03 -0.00 0.00 0.00 179.45 179.72 2jnk h SER 15 N 0.00 0.24 0.05 7.07 0.87 -1.27 -2.34 113.55 118.16 2jnk h SER 15 Ca -0.00 -0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2jnk h SER 15 Cb 0.03 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2jnk h SER 15 CO 0.00 0.98 -0.03 -0.07 -0.53 0.00 0.00 176.83 177.19 2jnk h LEU 16 N 0.10 -0.06 -1.81 2.23 3.38 0.38 -1.88 115.31 117.64 2jnk h LEU 16 Ca -0.04 0.00 0.34 0.00 0.09 0.00 0.00 57.88 58.27 2jnk h LEU 16 Cb 1.48 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 42.18 2jnk h LEU 16 CO 0.13 -0.03 0.83 -0.07 0.09 0.00 0.00 178.44 179.38 2jnk h LEU 17 N -0.09 0.12 -0.62 1.67 4.07 -1.46 0.95 115.31 119.94 2jnk h LEU 17 Ca -0.01 0.03 -0.14 0.00 0.08 0.00 0.00 57.88 57.84 2jnk h LEU 17 Cb 0.06 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 2jnk h LEU 17 CO 0.01 0.01 -0.69 0.44 -1.08 0.00 0.00 178.44 177.13 2jnk h ASP 18 N 0.10 0.00 -0.01 -0.43 3.32 -1.37 -3.20 116.42 114.83 2jnk h ASP 18 Ca 0.60 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.65 2jnk h ASP 18 Cb 2.15 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.70 2jnk h ASP 18 CO -0.10 0.69 -0.55 1.21 -1.72 0.00 0.00 179.24 178.77 2jnk n GLU 19 N -3.72 1.39 -3.60 3.56 2.13 0.19 -4.83 120.64 115.76 2jnk n GLU 19 Ca -0.01 -0.55 -0.40 0.00 0.66 0.00 0.00 57.16 56.86 2jnk n GLU 19 Cb 0.67 -1.34 -0.09 0.00 0.27 0.00 0.00 31.44 30.95 2jnk n GLU 19 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2jnk s SER 20 N -2.32 5.62 -0.06 4.31 1.04 0.27 -4.99 113.70 117.58 2jnk s SER 20 Ca 0.12 -1.74 -0.16 0.00 0.48 0.00 0.00 55.95 54.66 2jnk s SER 20 Cb 0.14 -1.98 -0.05 0.00 0.10 0.00 0.00 66.02 64.23 2jnk s SER 20 CO 0.56 -0.61 0.42 0.54 0.98 0.00 0.00 173.24 175.14 2jnk s VAL 21 N 1.37 5.10 -0.47 5.02 0.11 -1.26 -4.73 120.40 125.54 2jnk s VAL 21 Ca 0.05 0.85 -0.29 0.00 -2.93 0.00 0.00 61.98 59.66 2jnk s VAL 21 Cb -0.24 -3.74 0.02 0.00 -1.53 0.00 0.00 36.38 30.89 2jnk s VAL 21 CO 0.00 0.47 1.24 -1.83 -3.33 0.00 0.00 175.10 171.65 2jnk s GLU 22 N -0.34 3.64 0.00 1.54 1.03 -1.26 -2.18 118.70 121.13 2jnk s GLU 22 Ca 0.24 0.63 0.00 0.00 0.03 0.00 0.00 54.97 55.87 2jnk s GLU 22 Cb -0.16 -3.96 0.00 0.00 -0.80 0.00 0.00 34.13 29.21 2jnk s GLU 22 CO 0.11 -1.50 0.00 0.41 -1.33 0.00 0.00 175.26 172.96 2jnk n GLY 23 N 4.96 0.22 0.00 -3.83 0.00 1.61 -4.81 105.19 103.35 2jnk n GLY 23 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.50 0.00 -3.88 1.61 1.16 -1.23 -4.51 117.46 110.12 2jnk n PHE 24 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.49 2jnk n PHE 24 Cb 0.00 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 37.86 2jnk n PHE 24 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 2jnk s ASN 25 N 0.00 0.01 -0.19 5.98 2.47 -1.13 -3.92 114.94 118.17 2jnk s ASN 25 Ca 0.00 -0.99 -0.35 0.00 0.42 0.00 0.00 52.86 51.94 2jnk s ASN 25 Cb 0.00 0.76 -0.12 0.00 -1.45 0.00 0.00 41.25 40.45 2jnk s ASN 25 CO 0.00 -1.48 1.96 0.55 -3.72 0.00 0.00 177.10 174.41 2jnk n VAL 26 N -0.50 0.43 -0.01 -5.21 3.14 -1.26 0.28 118.33 115.20 2jnk n VAL 26 Ca -0.05 -0.16 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 2jnk n VAL 26 Cb 0.60 -1.78 0.00 0.00 -1.06 0.00 0.00 33.84 31.60 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 4.99 0.26 2.89 7.55 0.00 -1.02 -5.05 105.19 114.82 2jnk n GLY 27 Ca 0.28 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.96 0.50 0.62 1.61 8.01 0.14 -3.99 118.70 124.63 2jnk s GLU 28 Ca 0.00 -0.07 0.04 0.00 0.01 0.00 0.00 54.97 54.95 2jnk s GLU 28 Cb 0.00 -0.55 0.09 0.00 -4.31 0.00 0.00 34.13 29.36 2jnk s GLU 28 CO 0.00 -0.03 0.86 1.52 0.01 0.00 0.00 175.26 177.62 2jnk s TYR 29 N 0.56 1.71 -0.03 1.61 1.13 -0.93 -2.82 117.35 118.59 2jnk s TYR 29 Ca -0.06 -0.45 -0.00 0.00 -1.41 0.00 0.00 57.07 55.14 2jnk s TYR 29 Cb -0.10 -2.61 -0.00 0.00 -1.10 0.00 0.00 41.96 38.15 2jnk s TYR 29 CO -0.01 -1.32 0.05 1.25 -2.51 0.00 0.00 175.55 173.01 2jnk h HIS 30 N -0.10 -0.01 -1.62 -3.49 -0.00 -1.79 4.92 115.15 113.05 2jnk h HIS 30 Ca -0.34 -0.00 0.21 0.00 -0.00 0.00 0.00 60.37 60.24 2jnk h HIS 30 Cb 1.28 0.00 -0.19 0.00 -0.00 0.00 0.00 27.41 28.51 2jnk h HIS 30 CO 0.15 -0.01 0.74 0.21 -0.00 0.00 0.00 177.93 179.02 2jnk s LYS 31 N -1.26 0.42 0.00 5.26 2.20 -1.26 -4.24 119.74 120.86 2jnk s LYS 31 Ca -0.00 -0.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.48 2jnk s LYS 31 Cb 0.00 0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.51 2jnk s LYS 31 CO 0.01 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.23 2jnk n GLY 32 N -0.04 3.06 0.20 5.54 0.00 -1.26 -4.90 105.19 107.80 2jnk n GLY 32 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 4.61 0.00 -1.96 -2.15 119.26 119.32 2jnk h ALA 33 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 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 -0.74 0.17 1.17 0.00 0.00 0.00 179.25 179.86 2jnk n LYS 34 N -5.27 0.00 -0.01 0.00 4.81 -1.26 -2.63 118.16 113.81 2jnk n LYS 34 Ca -0.10 0.19 -0.00 0.00 -0.87 0.00 0.00 58.31 57.53 2jnk n LYS 34 Cb 0.20 -1.67 -0.00 0.00 0.02 0.00 0.00 35.03 33.58 2jnk n LYS 34 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2jnk n ASP 35 N -1.13 0.14 0.00 3.14 9.92 -0.81 -4.16 116.55 123.64 2jnk n ASP 35 Ca 0.00 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 2jnk n ASP 35 Cb 0.17 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 40.13 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 1.63 -3.20 0.35 0.44 0.00 -1.08 0.36 105.19 103.70 2jnk n GLY 36 Ca -0.01 0.48 0.10 0.00 0.00 0.00 0.00 46.02 46.60 2jnk n GLY 36 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jnk h LEU 37 N 0.00 0.00 0.05 0.99 5.85 -1.71 0.88 115.31 121.36 2jnk h LEU 37 Ca 0.00 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.36 2jnk h LEU 37 Cb 0.00 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 2jnk h LEU 37 CO 0.00 0.00 -2.17 1.07 -0.34 0.00 0.00 178.44 177.00 2jnk n THR 38 N -2.80 1.62 0.09 1.05 5.66 0.03 -3.38 114.28 116.54 2jnk n THR 38 Ca 0.02 -0.67 0.18 0.00 -3.05 0.00 0.00 64.05 60.53 2jnk n THR 38 Cb 0.77 -1.39 0.73 0.00 -1.55 0.00 0.00 70.33 68.89 2jnk n THR 38 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2jnk h VAL 39 N 0.03 0.65 0.02 1.08 2.07 1.37 2.15 116.25 123.61 2jnk h VAL 39 Ca -0.47 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 66.82 2jnk h VAL 39 Cb 2.01 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 2jnk h VAL 39 CO 0.02 0.00 -1.09 1.05 0.02 0.00 0.00 177.57 177.57 2jnk h GLU 40 N 0.00 0.03 0.16 1.57 4.11 -1.32 -2.98 114.58 116.16 2jnk h GLU 40 Ca 0.18 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.54 2jnk h GLU 40 Cb 0.78 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2jnk h GLU 40 CO -0.00 0.99 -0.08 0.82 0.07 0.00 0.00 179.01 180.81 2jnk h ILE 41 N 0.01 0.00 -1.12 -1.06 1.08 0.17 1.92 117.51 118.52 2jnk h ILE 41 Ca -0.05 -0.58 0.40 0.00 -0.39 0.00 0.00 64.86 64.24 2jnk h ILE 41 Cb 1.81 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 35.41 2jnk h ILE 41 CO 0.13 0.00 0.66 0.78 -0.69 0.00 0.00 178.15 179.04 2jnk h ASN 42 N -0.80 0.35 0.00 1.72 2.35 0.27 0.62 115.58 120.08 2jnk h ASN 42 Ca -0.02 0.19 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 2jnk h ASN 42 Cb 0.17 0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2jnk h ASN 42 CO 0.04 -0.26 -0.28 0.11 -1.65 0.00 0.00 177.43 175.39 2jnk h LYS 43 N 0.13 0.00 0.23 0.81 1.79 -1.56 -3.29 116.57 114.68 2jnk h LYS 43 Ca 0.80 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 59.28 2jnk h LYS 43 Cb 2.20 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.82 2jnk h LYS 43 CO -0.59 0.79 -0.32 0.00 -1.08 0.00 0.00 179.45 178.25 2jnk h ALA 44 N -0.31 -0.62 -0.91 3.86 0.00 0.54 -2.25 119.26 119.57 2jnk h ALA 44 Ca -0.07 -0.08 0.22 0.00 0.00 0.00 0.00 54.91 54.97 2jnk h ALA 44 Cb 0.88 0.49 -0.12 0.00 0.00 0.00 0.00 17.79 19.04 2jnk h ALA 44 CO -0.04 -0.89 0.44 0.93 0.00 0.00 0.00 179.25 179.68 2jnk h GLU 45 N -0.61 0.45 -0.07 0.00 5.08 -0.08 1.73 114.58 121.08 2jnk h GLU 45 Ca 0.00 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2jnk h GLU 45 Cb 0.59 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2jnk h GLU 45 CO -0.12 0.30 0.12 0.93 -1.00 0.00 0.00 179.01 179.24 2jnk h GLU 46 N 0.47 0.00 0.03 2.33 5.08 -1.48 -1.53 114.58 119.48 2jnk h GLU 46 Ca 0.56 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.55 2jnk h GLU 46 Cb 1.04 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.24 2jnk h GLU 46 CO -0.50 0.00 -2.17 0.28 -1.00 0.00 0.00 179.01 175.63 2jnk n VAL 47 N -3.52 1.58 -0.27 3.13 0.31 0.52 -3.24 118.33 116.84 2jnk n VAL 47 Ca -0.01 -0.46 0.08 0.00 -0.01 0.00 0.00 64.34 63.94 2jnk n VAL 47 Cb 0.21 -1.72 0.21 0.00 -0.91 0.00 0.00 33.84 31.63 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 -0.39 0.15 -0.62 3.52 3.57 0.12 0.82 116.94 124.11 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 1.77 0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.57 2jnk h PHE 48 CO 0.03 -0.20 0.00 0.27 -2.23 0.00 0.00 178.31 176.17 2jnk n ASN 49 N -5.27 3.81 -4.90 0.41 0.23 -0.64 -4.85 115.26 104.06 2jnk n ASN 49 Ca 0.17 -2.17 -0.28 0.00 -0.53 0.00 0.00 54.58 51.76 2jnk n ASN 49 Cb 0.55 -0.48 0.02 0.00 -2.08 0.00 0.00 39.78 37.79 2jnk n ASN 49 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2jnk s LYS 50 N -1.43 3.18 -0.15 -3.83 2.20 0.28 -5.02 119.74 114.97 2jnk s LYS 50 Ca 0.44 0.29 -0.10 0.00 -0.36 0.00 0.00 55.97 56.24 2jnk s LYS 50 Cb 0.25 -2.20 -0.24 0.00 -1.51 0.00 0.00 37.83 34.13 2jnk s LYS 50 CO 0.26 -0.64 0.31 -1.91 -0.36 0.00 0.00 175.35 173.01 2jnk n GLU 51 N -2.64 0.71 -0.07 4.03 4.07 -1.26 -3.77 120.64 121.70 2jnk n GLU 51 Ca 0.04 0.34 0.01 0.00 -0.06 0.00 0.00 57.16 57.49 2jnk n GLU 51 Cb 0.56 -1.71 0.03 0.00 -0.06 0.00 0.00 31.44 30.26 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 -3.72 1.29 -2.00 4.31 8.00 -1.26 -4.20 116.55 118.97 2jnk n ASP 52 Ca -0.33 -2.07 -0.10 0.00 0.71 0.00 0.00 54.79 53.01 2jnk n ASP 52 Cb 0.96 -0.47 -0.14 0.00 -0.02 0.00 0.00 41.12 41.44 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 0.02 5.68 -1.93 2.24 0.00 -1.25 -2.98 120.51 122.29 2jnk n ALA 53 Ca 0.02 -1.51 0.00 0.00 0.00 0.00 0.00 53.44 51.95 2jnk n ALA 53 Cb 0.30 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.55 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 2.46 0.00 0.86 0.00 -2.24 -1.26 -4.24 114.28 109.86 2jnk n THR 54 Ca 0.35 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.26 2jnk n THR 54 Cb 0.80 0.00 0.54 0.00 -2.10 0.00 0.00 70.33 69.56 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 0.01 0.00 -0.78 2.13 -1.26 -3.33 120.64 117.40 2jnk n GLU 55 Ca 0.00 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.89 2jnk n GLU 55 Cb 0.00 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.20 2jnk n GLU 55 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2jnk n GLU 56 N -1.53 0.00 -0.27 5.31 2.13 -1.26 -4.53 120.64 120.49 2jnk n GLU 56 Ca 0.06 0.07 -0.04 0.00 0.66 0.00 0.00 57.16 57.91 2jnk n GLU 56 Cb 0.30 -0.49 0.07 0.00 0.27 0.00 0.00 31.44 31.59 2jnk n GLU 56 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2jnk h GLU 57 N 0.00 0.97 0.06 5.31 4.39 -1.72 -3.09 114.58 120.50 2jnk h GLU 57 Ca 0.00 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.66 2jnk h GLU 57 Cb 0.00 -0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 28.38 2jnk h GLU 57 CO 0.00 0.64 -0.50 0.82 -1.16 0.00 0.00 179.01 178.81 2jnk h ILE 58 N 1.00 0.00 -1.01 3.13 2.04 -1.76 0.91 117.51 121.83 2jnk h ILE 58 Ca 0.28 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.38 2jnk h ILE 58 Cb -0.09 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 35.89 2jnk h ILE 58 CO -0.07 0.00 0.64 -0.55 0.00 0.00 0.00 178.15 178.17 2jnk h ASN 59 N -0.67 0.53 0.48 1.72 -1.07 -1.78 1.49 115.58 116.28 2jnk h ASN 59 Ca 0.00 0.08 -0.15 0.00 0.07 0.00 0.00 56.30 56.31 2jnk h ASN 59 Cb 0.70 -0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.93 2jnk h ASN 59 CO -0.30 0.14 -0.65 -0.07 0.07 0.00 0.00 177.43 176.62 2jnk h LEU 60 N 0.49 0.18 0.00 6.14 3.38 -0.94 -2.18 115.31 122.38 2jnk h LEU 60 Ca 0.58 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.40 2jnk h LEU 60 Cb 1.30 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2jnk h LEU 60 CO -0.31 0.78 -0.71 0.00 0.09 0.00 0.00 178.44 178.28 2jnk h ALA 61 N 1.22 0.69 0.12 1.53 0.00 0.77 -3.36 119.26 120.24 2jnk h ALA 61 Ca -0.01 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.51 2jnk h ALA 61 Cb 1.16 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.00 2jnk h ALA 61 CO 0.09 0.23 -0.89 1.57 0.00 0.00 0.00 179.25 180.25 2jnk h LYS 62 N 0.00 0.26 -0.02 0.00 2.10 0.17 -3.21 116.57 115.86 2jnk h LYS 62 Ca -0.03 -0.44 0.01 0.00 -2.00 0.00 0.00 60.65 58.19 2jnk h LYS 62 Cb 1.15 0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 32.64 2jnk h LYS 62 CO 0.02 1.21 0.20 1.49 -2.00 0.00 0.00 179.45 180.37 2jnk h GLU 63 N -0.42 0.00 0.00 0.07 4.81 -1.55 0.52 114.58 118.02 2jnk h GLU 63 Ca -0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2jnk h GLU 63 Cb 1.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.99 2jnk h GLU 63 CO 0.11 0.00 -0.95 0.45 -0.73 0.00 0.00 179.01 177.89 2jnk n SER 64 N -3.05 0.70 -0.09 1.04 2.88 -1.24 -4.30 113.62 109.56 2jnk n SER 64 Ca -0.02 -0.52 -0.14 0.00 -1.33 0.00 0.00 58.87 56.87 2jnk n SER 64 Cb 0.27 0.82 -0.05 0.00 -0.75 0.00 0.00 64.21 64.49 2jnk n SER 64 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2jnk n LEU 65 N -1.69 1.87 -0.14 2.46 4.77 0.17 -3.76 117.00 120.68 2jnk n LEU 65 Ca 0.03 0.47 -0.05 0.00 -0.03 0.00 0.00 56.01 56.43 2jnk n LEU 65 Cb 0.38 -0.86 -0.04 0.00 -2.33 0.00 0.00 43.42 40.57 2jnk n LEU 65 CO 0.40 -0.09 0.49 -0.33 -1.33 0.00 0.00 177.39 176.54 2jnk h GLU 66 N -1.00 -0.06 0.00 3.23 5.08 -1.27 0.64 114.58 121.21 2jnk h GLU 66 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2jnk h GLU 66 Cb 0.98 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2jnk h GLU 66 CO -0.12 -0.04 0.00 0.41 -1.00 0.00 0.00 179.01 178.27 2jnk n GLY 67 N -1.13 -0.91 0.09 -3.84 0.00 -1.26 -2.81 105.19 95.33 2jnk n GLY 67 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.58 0.78 -0.22 4.61 0.00 0.20 -3.98 120.51 121.32 2jnk n ALA 68 Ca 0.03 -0.71 -0.07 0.00 0.00 0.00 0.00 53.44 52.69 2jnk n ALA 68 Cb 0.02 -0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.50 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 1.23 -0.46 0.00 3.07 -0.92 -1.17 117.51 118.26 2jnk h ILE 69 Ca -0.11 -0.71 0.13 0.00 1.55 0.00 0.00 64.86 65.72 2jnk h ILE 69 Cb 0.95 0.54 -0.02 0.00 -0.27 0.00 0.00 36.82 38.02 2jnk h ILE 69 CO -0.07 0.28 0.48 0.00 -1.05 0.00 0.00 178.15 177.79 2jnk h ALA 70 N 1.10 2.19 0.04 0.16 0.00 -1.71 0.19 119.26 121.24 2jnk h ALA 70 Ca 0.21 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2jnk h ALA 70 Cb 0.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jnk h ALA 70 CO -0.02 -0.71 -0.02 -0.09 0.00 0.00 0.00 179.25 178.41 2jnk h ARG 71 N 0.00 -0.05 -0.93 0.00 9.65 -1.35 -3.37 114.38 118.33 2jnk h ARG 71 Ca 0.22 0.00 0.19 0.00 -1.10 0.00 0.00 59.98 59.29 2jnk h ARG 71 Cb 1.17 0.01 -0.11 0.00 -1.39 0.00 0.00 29.97 29.65 2jnk h ARG 71 CO -0.00 -0.04 0.50 0.35 2.80 0.00 0.00 179.97 183.58 2jnk h PHE 72 N -0.48 0.87 -0.99 2.20 3.04 -1.23 -1.46 116.94 118.90 2jnk h PHE 72 Ca -0.01 0.04 0.35 0.00 3.98 0.00 0.00 57.97 62.33 2jnk h PHE 72 Cb 0.04 -0.24 -0.17 0.00 2.56 0.00 0.00 35.95 38.15 2jnk h PHE 72 CO 0.01 0.13 0.46 -0.91 -2.02 0.00 0.00 178.31 175.98 2jnk h ASN 73 N 0.61 0.26 -0.92 0.41 2.35 -1.12 0.64 115.58 117.81 2jnk h ASN 73 Ca 0.55 0.23 -0.63 0.00 -0.55 0.00 0.00 56.30 55.90 2jnk h ASN 73 Cb 0.91 0.25 -0.34 0.00 0.05 0.00 0.00 38.32 39.18 2jnk h ASN 73 CO -0.42 -0.29 0.26 -1.20 -1.65 0.00 0.00 177.43 174.12 2jnk n SER 74 N -5.21 6.69 -0.03 5.81 7.64 -0.55 -4.44 113.62 123.53 2jnk n SER 74 Ca 0.32 -3.78 -0.02 0.00 1.01 0.00 0.00 58.87 56.41 2jnk n SER 74 Cb 1.06 -0.75 -0.06 0.00 -1.01 0.00 0.00 64.21 63.45 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 -0.84 0.00 -1.96 -3.43 4.32 0.22 -4.05 117.00 111.26 2jnk n LEU 75 Ca 0.56 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 56.49 2jnk n LEU 75 Cb 0.77 0.15 -0.08 0.00 -1.62 0.00 0.00 43.42 42.63 2jnk n LEU 75 CO 0.65 0.15 1.13 0.00 -1.22 0.00 0.00 177.39 178.09 2jnk n LEU 76 N -2.17 3.89 -3.60 2.23 -0.00 -1.25 -4.10 117.00 112.00 2jnk n LEU 76 Ca -0.10 -2.24 -0.22 0.00 -0.00 0.00 0.00 56.01 53.45 2jnk n LEU 76 Cb 0.62 -0.97 0.01 0.00 -0.00 0.00 0.00 43.42 43.09 2jnk n LEU 76 CO 0.17 0.99 -0.04 -0.38 -0.00 0.00 0.00 177.39 178.13 2jnk n ILE 77 N 2.29 -5.77 0.00 1.47 5.41 -0.92 -2.44 119.36 119.40 2jnk n ILE 77 Ca 0.21 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.56 2jnk n ILE 77 Cb 0.57 -4.32 0.00 0.00 -0.71 0.00 0.00 39.64 35.19 2jnk n ILE 77 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2jnk n GLU 78 N -3.06 0.00 0.12 0.38 1.02 -1.06 -4.42 120.64 113.63 2jnk n GLU 78 Ca -0.16 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.09 2jnk n GLU 78 Cb 0.61 0.00 0.17 0.00 -0.02 0.00 0.00 31.44 32.19 2jnk n GLU 78 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2jnk n GLU 79 N 0.00 0.02 -2.16 3.49 1.02 -1.26 0.60 120.64 122.36 2jnk n GLU 79 Ca 0.00 0.97 0.01 0.00 -0.02 0.00 0.00 57.16 58.12 2jnk n GLU 79 Cb 0.00 -2.55 0.04 0.00 -0.02 0.00 0.00 31.44 28.91 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 -2.78 1.43 0.09 1.62 7.64 -1.26 -4.87 113.62 115.49 2jnk n SER 80 Ca 0.09 -2.12 0.10 0.00 1.01 0.00 0.00 58.87 57.95 2jnk n SER 80 Cb 1.20 -0.40 0.42 0.00 -1.01 0.00 0.00 64.21 64.43 2jnk n SER 80 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2jnk n THR 81 N -0.13 0.91 0.25 0.44 -2.24 0.20 -3.12 114.28 110.59 2jnk n THR 81 Ca 0.08 0.26 0.07 0.00 -2.27 0.00 0.00 64.05 62.19 2jnk n THR 81 Cb 0.96 -1.13 0.39 0.00 -2.10 0.00 0.00 70.33 68.45 2jnk n THR 81 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2jnk h GLY 82 N 2.22 0.00 -7.70 3.38 0.00 -1.89 -3.24 103.07 95.83 2jnk h GLY 82 Ca 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.60 2jnk h GLY 82 CO 0.00 0.00 1.55 1.22 0.00 0.00 0.00 176.54 179.31 2jnk n ASP 83 N -2.38 5.16 0.17 0.19 9.92 -1.18 -4.47 116.55 123.96 2jnk n ASP 83 Ca -0.01 -2.97 -0.07 0.00 -0.53 0.00 0.00 54.79 51.21 2jnk n ASP 83 Cb 0.54 -1.60 -0.03 0.00 -0.64 0.00 0.00 41.12 39.38 2jnk n ASP 83 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2jnk h PHE 84 N 7.16 -0.41 0.00 1.24 0.04 -1.83 -3.09 116.94 120.05 2jnk h PHE 84 Ca 0.35 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 61.11 2jnk h PHE 84 Cb 0.86 0.14 -0.00 0.00 2.20 0.00 0.00 35.95 39.15 2jnk h PHE 84 CO 1.17 -0.25 -0.01 -0.91 -0.60 0.00 0.00 178.31 177.71 2jnk h ASN 85 N -0.58 0.00 0.00 2.17 4.21 -1.88 -3.40 115.58 116.11 2jnk h ASN 85 Ca -0.05 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.46 2jnk h ASN 85 Cb 0.34 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.54 2jnk h ASN 85 CO 0.07 0.01 0.00 0.61 -1.29 0.00 0.00 177.43 176.83 2jnk n GLY 86 N -0.92 0.84 0.11 2.83 0.00 -1.17 -4.86 105.19 102.02 2jnk n GLY 86 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 2jnk n GLY 86 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2jnk h ASN 87 N 0.00 0.00 0.00 1.61 -1.24 -1.87 -3.49 115.58 110.59 2jnk h ASN 87 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2jnk h ASN 87 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2jnk h ASN 87 CO 0.00 0.49 0.00 0.61 -1.29 0.00 0.00 177.43 177.24 2jnk n GLY 88 N 1.32 0.72 3.39 1.57 0.00 -1.26 -5.13 105.19 105.80 2jnk n GLY 88 Ca -0.05 -0.51 -0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.67 0.54 -0.38 1.61 -2.85 -1.26 -5.13 119.74 111.60 2jnk s LYS 89 Ca 0.00 1.20 -0.06 0.00 -1.00 0.00 0.00 55.97 56.12 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 0.17 0.42 0.10 0.00 0.00 175.35 175.66 2jnk s ILE 90 N 2.84 3.68 0.00 3.79 -1.09 -1.26 -4.56 121.20 124.59 2jnk s ILE 90 Ca 0.05 -1.53 0.00 0.00 -2.23 0.00 0.00 60.65 56.95 2jnk s ILE 90 Cb -0.13 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 2jnk s ILE 90 CO -0.19 -0.43 0.00 -0.67 -1.23 0.00 0.00 174.94 172.42 2jnk n ASP 91 N 4.76 0.00 0.10 3.58 -0.08 -1.26 -4.90 116.55 118.74 2jnk n ASP 91 Ca -0.09 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.20 2jnk n ASP 91 Cb 0.43 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.86 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 0.80 0.00 5.18 -0.00 -1.97 -3.23 117.51 118.28 2jnk h ILE 92 Ca 0.00 -2.23 0.00 0.00 -0.00 0.00 0.00 64.86 62.63 2jnk h ILE 92 Cb 0.00 2.32 0.00 0.00 -0.00 0.00 0.00 36.82 39.14 2jnk h ILE 92 CO 0.00 0.46 0.00 0.61 -0.00 0.00 0.00 178.15 179.22 2jnk n GLY 93 N 1.29 -0.50 0.07 8.18 0.00 -1.26 -2.23 105.19 110.74 2jnk n GLY 93 Ca -0.02 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 -0.58 1.61 3.58 -1.93 -2.72 116.42 116.38 2jnk h ASP 94 Ca 0.00 -0.73 -0.29 0.00 0.42 0.00 0.00 57.03 56.43 2jnk h ASP 94 Cb 0.01 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 40.89 2jnk h ASP 94 CO 0.00 0.94 0.18 0.18 -2.88 0.00 0.00 179.24 177.66 2jnk n LEU 95 N -4.63 5.07 0.00 2.28 4.77 -1.16 -3.95 117.00 119.38 2jnk n LEU 95 Ca -0.10 -3.67 0.00 0.00 -0.03 0.00 0.00 56.01 52.21 2jnk n LEU 95 Cb 0.40 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 2jnk n LEU 95 CO 0.25 1.15 0.00 0.00 -1.33 0.00 0.00 177.39 177.46 2jnk n ALA 96 N -1.06 1.24 -0.45 -1.18 0.00 -0.94 -4.93 120.51 113.18 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 -1.21 0.00 0.16 0.00 1.56 -1.09 -4.16 117.12 112.38 2jnk n MET 97 Ca 0.00 0.14 -0.10 0.00 -0.27 0.00 0.00 57.70 57.47 2jnk n MET 97 Cb 0.00 -0.53 -0.05 0.00 2.15 0.00 0.00 33.22 34.79 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 0.00 0.00 1.12 3.04 -1.70 -1.72 116.25 116.99 2jnk h VAL 98 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2jnk h VAL 98 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.28 2jnk h VAL 98 CO 0.00 0.00 0.08 -1.20 -1.01 0.00 0.00 177.57 175.44 2jnk n SER 99 N -3.97 0.00 0.29 3.17 7.64 -1.25 -2.84 113.62 116.66 2jnk n SER 99 Ca -0.06 0.24 -0.12 0.00 1.01 0.00 0.00 58.87 59.94 2jnk n SER 99 Cb 0.25 -0.24 -0.06 0.00 -1.01 0.00 0.00 64.21 63.15 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 -0.73 0.06 1.43 3.11 -1.47 -3.37 116.57 115.60 2jnk h LYS 100 Ca 0.00 0.05 -0.11 0.00 -2.81 0.00 0.00 60.65 57.78 2jnk h LYS 100 Cb 0.15 0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.55 2jnk h LYS 100 CO 0.00 -0.49 -0.55 -2.95 -2.81 0.00 0.00 179.45 172.66 2jnk h ASN 101 N -0.89 0.19 -5.79 4.20 7.08 -1.65 -3.50 115.58 115.23 2jnk h ASN 101 Ca -0.08 -0.92 0.00 0.00 -3.08 0.00 0.00 56.30 52.23 2jnk h ASN 101 Cb 0.58 -0.06 -0.04 0.00 -2.08 0.00 0.00 38.32 36.72 2jnk h ASN 101 CO 0.13 1.24 -0.43 -0.38 -2.08 0.00 0.00 177.43 175.91 2jnk n ILE 102 N -4.36 -4.21 -2.78 6.14 2.08 -1.16 -4.26 119.36 110.81 2jnk n ILE 102 Ca -0.15 0.77 -0.07 0.00 0.56 0.00 0.00 62.75 63.86 2jnk n ILE 102 Cb 0.66 -3.57 0.02 0.00 -0.75 0.00 0.00 39.64 36.00 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 2.31 0.50 0.08 7.39 0.00 0.26 -4.67 105.19 111.06 2jnk n GLY 103 Ca -0.11 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 2jnk n GLY 103 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2jnk h SER 104 N -0.75 -0.05 -0.82 1.61 0.87 -1.80 -3.44 113.55 109.17 2jnk h SER 104 Ca -0.16 -0.52 -0.11 0.00 -1.23 0.00 0.00 61.79 59.77 2jnk h SER 104 Cb 1.10 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 2jnk h SER 104 CO 0.16 0.67 -0.15 0.41 -0.53 0.00 0.00 176.83 177.39 2jnk n THR 105 N -4.75 -0.27 0.00 2.23 -1.04 -1.02 -4.88 114.28 104.55 2jnk n THR 105 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 2jnk n THR 105 Cb 0.28 -1.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 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 -4.00 0.00 -3.62 12.58 5.66 -1.26 -4.95 114.28 118.69 2jnk n THR 106 Ca -0.07 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.54 2jnk n THR 106 Cb 0.55 -0.52 -0.09 0.00 -1.55 0.00 0.00 70.33 68.72 2jnk n THR 106 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2jnk s ASN 107 N -4.39 5.59 0.00 1.09 4.22 -1.26 -4.91 114.94 115.29 2jnk s ASN 107 Ca 0.00 -2.17 0.31 0.00 -2.14 0.00 0.00 52.86 48.86 2jnk s ASN 107 Cb 0.00 -1.96 1.66 0.00 1.28 0.00 0.00 41.25 42.24 2jnk s ASN 107 CO 0.00 -0.59 2.10 0.41 -2.04 0.00 0.00 177.10 176.97 2jnk n THR 108 N 4.51 0.00 -0.54 0.54 -1.04 -1.26 -4.07 114.28 112.42 2jnk n THR 108 Ca -0.02 -0.05 0.45 0.00 -2.04 0.00 0.00 64.05 62.40 2jnk n THR 108 Cb 0.41 -0.30 0.79 0.00 -1.82 0.00 0.00 70.33 69.41 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 0.43 0.00 0.00 8.00 0.87 -1.90 -2.90 113.55 118.05 2jnk h SER 109 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jnk h SER 109 Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2jnk h SER 109 CO 0.00 -0.00 0.00 0.18 -0.53 0.00 0.00 176.83 176.48 2jnk n LEU 110 N -4.05 0.27 0.00 2.23 4.32 -1.26 -4.69 117.00 113.83 2jnk n LEU 110 Ca 0.36 0.13 0.00 0.00 -0.02 0.00 0.00 56.01 56.48 2jnk n LEU 110 Cb 1.67 -0.37 0.00 0.00 -1.62 0.00 0.00 43.42 43.10 2jnk n LEU 110 CO 0.43 -0.37 0.00 -0.67 -1.22 0.00 0.00 177.39 175.56 2jnk n ASP 111 N -2.02 0.00 0.06 -1.43 -0.08 -1.10 -4.64 116.55 107.34 2jnk n ASP 111 Ca 0.00 0.00 0.21 0.00 -1.51 0.00 0.00 54.79 53.49 2jnk n ASP 111 Cb 0.00 0.00 0.74 0.00 2.34 0.00 0.00 41.12 44.20 2jnk n ASP 111 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2jnk h LEU 112 N 0.00 0.00 0.00 -2.67 4.07 -1.87 -1.90 115.31 112.94 2jnk h LEU 112 Ca 0.00 0.00 -0.36 0.00 0.08 0.00 0.00 57.88 57.60 2jnk h LEU 112 Cb 0.00 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.69 2jnk h LEU 112 CO 0.00 0.00 -2.01 0.59 -1.08 0.00 0.00 178.44 175.94 2jnk n ASN 113 N -3.81 1.92 -0.22 -0.43 4.13 -1.26 -2.17 115.26 113.42 2jnk n ASN 113 Ca 0.09 0.37 0.00 0.00 1.68 0.00 0.00 54.58 56.72 2jnk n ASN 113 Cb 0.66 -0.87 0.00 0.00 -1.54 0.00 0.00 39.78 38.03 2jnk n ASN 113 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2jnk n LYS 114 N -4.33 0.00 0.06 3.52 5.02 -0.72 -3.22 118.16 118.50 2jnk n LYS 114 Ca -0.44 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 55.98 2jnk n LYS 114 Cb 0.79 -2.10 0.49 0.00 -0.02 0.00 0.00 35.03 34.19 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 1.23 0.44 -0.08 4.39 2.03 -1.26 -4.89 116.55 118.41 2jnk n ASP 115 Ca 0.00 0.55 0.00 0.00 0.52 0.00 0.00 54.79 55.86 2jnk n ASP 115 Cb 0.36 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 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 1.26 1.23 3.20 0.27 0.00 -1.26 -5.05 105.19 104.85 2jnk n GLY 116 Ca 0.06 -0.25 0.04 0.00 0.00 0.00 0.00 46.02 45.87 2jnk n GLY 116 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jnk s SER 117 N -2.32 -0.17 -0.43 1.61 1.04 -1.26 -2.44 113.70 109.73 2jnk s SER 117 Ca 0.00 0.19 -0.27 0.00 0.48 0.00 0.00 55.95 56.35 2jnk s SER 117 Cb 0.00 1.18 -0.03 0.00 0.10 0.00 0.00 66.02 67.27 2jnk s SER 117 CO 0.00 -0.03 1.96 -0.63 0.98 0.00 0.00 173.24 175.52 2jnk s ILE 118 N 2.41 3.31 0.00 -1.02 -1.09 -1.26 -4.37 121.20 119.18 2jnk s ILE 118 Ca -0.02 0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.67 2jnk s ILE 118 Cb -0.04 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 2jnk s ILE 118 CO -0.14 -0.45 0.00 0.47 -1.23 0.00 0.00 174.94 173.59 2jnk n ASP 119 N 12.10 0.00 -0.05 3.58 8.00 -1.26 0.89 116.55 139.80 2jnk n ASP 119 Ca 0.25 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.61 2jnk n ASP 119 Cb 0.49 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.57 2jnk n ASP 119 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2jnk h GLU 120 N 0.00 0.79 -1.02 -1.24 4.81 -2.01 -3.23 114.58 112.68 2jnk h GLU 120 Ca 0.00 -0.53 0.30 0.00 -0.13 0.00 0.00 59.36 58.99 2jnk h GLU 120 Cb 0.00 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 2jnk h GLU 120 CO 0.00 1.16 1.01 1.88 -0.73 0.00 0.00 179.01 182.33 2jnk h TYR 121 N 0.59 0.00 0.00 0.92 0.05 -1.97 -1.74 116.97 114.82 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 1.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.95 2jnk h TYR 121 CO 0.07 0.00 0.00 -0.85 -1.05 0.00 0.00 178.16 176.33 2jnk n GLU 122 N -3.56 0.00 -0.38 4.88 0.00 -1.22 -4.43 120.64 115.93 2jnk n GLU 122 Ca 0.22 0.04 0.31 0.00 0.00 0.00 0.00 57.16 57.73 2jnk n GLU 122 Cb 1.33 -0.31 0.50 0.00 0.00 0.00 0.00 31.44 32.96 2jnk n GLU 122 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 2jnk n ILE 123 N -1.40 -0.13 -0.39 3.84 -0.00 -1.18 -1.44 119.36 118.65 2jnk n ILE 123 Ca 0.00 1.21 -0.10 0.00 -0.00 0.00 0.00 62.75 63.86 2jnk n ILE 123 Cb 0.00 -1.99 -0.08 0.00 -0.00 0.00 0.00 39.64 37.57 2jnk n ILE 123 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 2jnk h SER 124 N 0.00 -2.03 1.03 7.28 0.02 -1.53 1.19 113.55 119.50 2jnk h SER 124 Ca 0.63 0.32 -0.10 0.00 -0.84 0.00 0.00 61.79 61.80 2jnk h SER 124 Cb 2.17 0.91 -0.01 0.00 0.14 0.00 0.00 62.40 65.61 2jnk h SER 124 CO -0.25 -0.25 -0.47 0.15 -1.14 0.00 0.00 176.83 174.87 2jnk h PHE 125 N -0.03 0.00 0.00 3.45 3.57 -1.37 -3.29 116.94 119.28 2jnk h PHE 125 Ca 0.18 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 2jnk h PHE 125 Cb 0.45 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.19 2jnk h PHE 125 CO -0.98 0.47 0.00 -0.89 -2.23 0.00 0.00 178.31 174.68 2jnk n ILE 126 N -3.44 0.00 -0.54 1.41 2.08 0.40 -1.64 119.36 117.63 2jnk n ILE 126 Ca 0.00 0.61 0.43 0.00 0.56 0.00 0.00 62.75 64.35 2jnk n ILE 126 Cb 0.61 -1.61 0.67 0.00 -0.75 0.00 0.00 39.64 38.56 2jnk n ILE 126 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2jnk n ASN 127 N -2.00 0.07 -0.08 4.38 3.02 0.38 0.12 115.26 121.16 2jnk n ASN 127 Ca 0.00 1.01 -0.22 0.00 -0.03 0.00 0.00 54.58 55.34 2jnk n ASN 127 Cb 0.00 -0.50 -0.12 0.00 -0.61 0.00 0.00 39.78 38.55 2jnk n ASN 127 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2jnk n HIS 128 N -4.00 0.75 0.53 3.10 8.25 -1.24 -3.47 115.22 119.15 2jnk n HIS 128 Ca 0.38 0.23 0.13 0.00 -0.26 0.00 0.00 57.72 58.19 2jnk n HIS 128 Cb 1.62 -1.09 0.40 0.00 1.12 0.00 0.00 29.99 32.05 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 -0.44 0.00 0.00 -0.41 2.47 0.11 -2.85 114.38 113.26 2jnk h ARG 129 Ca -0.48 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 57.97 2jnk h ARG 129 Cb 1.72 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.99 2jnk h ARG 129 CO -0.12 0.00 -1.83 0.44 0.56 0.00 0.00 179.97 179.02 2jnk n ILE 130 N -2.39 1.40 -0.06 2.04 -6.64 0.32 -4.30 119.36 109.74 2jnk n ILE 130 Ca 0.05 -0.78 -0.14 0.00 -1.77 0.00 0.00 62.75 60.11 2jnk n ILE 130 Cb 0.40 -0.78 -0.12 0.00 -1.44 0.00 0.00 39.64 37.70 2jnk n ILE 130 CO 0.00 0.00 0.00 0.25 -1.77 0.00 0.00 176.55 175.03 2jnk h LEU 131 N 0.00 -0.00 -7.41 7.28 6.46 -1.58 -3.39 115.31 116.67 2jnk h LEU 131 Ca -0.31 -0.89 -0.80 0.00 -0.12 0.00 0.00 57.88 55.76 2jnk h LEU 131 Cb 1.94 0.00 -0.28 0.00 -0.73 0.00 0.00 40.66 41.59 2jnk h LEU 131 CO 0.06 0.90 0.50 -0.46 -0.62 0.00 0.00 178.44 178.81 2jnk n ASN 132 N -4.66 5.66 0.02 1.25 0.23 -1.08 -4.80 115.26 111.88 2jnk n ASN 132 Ca -0.10 -3.12 -0.19 0.00 -0.53 0.00 0.00 54.58 50.64 2jnk n ASN 132 Cb 0.43 -1.34 -0.14 0.00 -2.08 0.00 0.00 39.78 36.65 2jnk n ASN 132 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 2jnk h LEU 133 N 6.35 0.37 -2.33 -4.53 6.46 -1.76 -3.43 115.31 116.43 2jnk h LEU 133 Ca 0.18 -0.93 -0.14 0.00 -0.12 0.00 0.00 57.88 56.87 2jnk h LEU 133 Cb 0.81 -0.12 -0.17 0.00 -0.73 0.00 0.00 40.66 40.45 2jnk h LEU 133 CO 1.08 1.38 -0.41 -0.62 -0.62 0.00 0.00 178.44 179.24 2jnk n GLU 134 N -4.17 0.08 -2.33 1.25 1.02 -1.26 -5.10 120.64 110.13 2jnk n GLU 134 Ca -0.16 -1.19 0.00 0.00 -0.02 0.00 0.00 57.16 55.79 2jnk n GLU 134 Cb 0.78 0.40 0.00 0.00 -0.02 0.00 0.00 31.44 32.60 2jnk n GLU 134 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2jnk n HIS 135 N -0.01 -4.83 -0.03 -0.32 -0.00 -1.26 -5.03 115.22 103.73 2jnk n HIS 135 Ca -0.22 2.88 -0.03 0.00 0.46 0.00 0.00 57.72 60.81 2jnk n HIS 135 Cb 0.78 -3.84 -0.01 0.00 -0.12 0.00 0.00 29.99 26.80 2jnk n HIS 135 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jnk n HIS 136 N 1.83 0.00 -3.62 1.57 -0.00 -1.26 -5.09 115.22 108.66 2jnk n HIS 136 Ca 0.00 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.18 2jnk n HIS 136 Cb 0.00 -0.18 -0.06 0.00 -0.12 0.00 0.00 29.99 29.63 2jnk n HIS 136 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jnk s HIS 137 N -1.72 -0.41 -0.23 1.57 2.46 -1.26 -5.15 115.29 110.55 2jnk s HIS 137 Ca -0.10 0.81 -0.03 0.00 0.47 0.00 0.00 55.06 56.20 2jnk s HIS 137 Cb 0.01 0.25 0.12 0.00 -0.13 0.00 0.00 32.58 32.83 2jnk s HIS 137 CO 0.15 -0.20 0.32 -1.01 -2.47 0.00 0.00 174.74 171.53 2jnk s HIS 138 N 1.35 -0.62 -0.21 3.88 3.76 -1.26 -5.12 115.29 117.07 2jnk s HIS 138 Ca -0.08 0.57 -0.05 0.00 -0.15 0.00 0.00 55.06 55.35 2jnk s HIS 138 Cb -0.03 -0.14 0.11 0.00 1.11 0.00 0.00 32.58 33.63 2jnk s HIS 138 CO -0.14 -0.69 0.39 -1.58 -0.85 0.00 0.00 174.74 171.87 2jnk s HIS 139 N 2.46 -0.78 0.00 1.40 2.46 -1.26 -5.30 115.29 114.27 2jnk s HIS 139 Ca 0.10 1.16 0.00 0.00 0.47 0.00 0.00 55.06 56.80 2jnk s HIS 139 Cb -0.15 0.15 0.00 0.00 -0.13 0.00 0.00 32.58 32.44 2jnk s HIS 139 CO -0.15 -0.58 0.12 1.58 -2.47 0.00 0.00 174.74 173.24