#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jn6 h PRO 2 N 0.00 0.69 -4.85 0.03 0.11 -2.12 -3.39 132.00 122.47 2jn6 h PRO 2 Ca 0.00 -0.32 -0.69 0.00 0.11 0.00 0.00 66.00 65.10 2jn6 h PRO 2 Cb 0.00 -0.01 -0.19 0.00 0.11 0.00 0.00 31.00 30.91 2jn6 h PRO 2 CO 0.00 0.92 -0.07 0.95 -0.21 0.00 0.00 178.00 179.59 2jn6 s THR 3 N -4.57 4.98 -0.28 -1.15 -4.23 -1.26 -5.02 115.64 104.11 2jn6 s THR 3 Ca -0.13 -0.53 -0.03 0.00 -1.18 0.00 0.00 61.69 59.83 2jn6 s THR 3 Cb 0.09 -4.21 0.03 0.00 1.34 0.00 0.00 72.50 69.75 2jn6 s THR 3 CO 0.81 -0.68 -0.00 -0.75 -0.54 0.00 0.00 174.62 173.46 2jn6 s LYS 4 N 2.37 2.72 0.20 3.99 2.20 -1.26 -5.10 119.74 124.86 2jn6 s LYS 4 Ca 0.13 -1.07 0.04 0.00 -0.36 0.00 0.00 55.97 54.71 2jn6 s LYS 4 Cb -0.19 -3.16 -0.03 0.00 -1.51 0.00 0.00 37.83 32.94 2jn6 s LYS 4 CO 0.12 -0.50 0.29 0.99 -0.36 0.00 0.00 175.35 175.89 2jn6 s THR 5 N 1.34 5.11 -0.24 3.43 2.01 -1.26 -5.10 115.64 120.93 2jn6 s THR 5 Ca -0.01 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 61.02 2jn6 s THR 5 Cb -0.18 -3.71 0.07 0.00 0.01 0.00 0.00 72.50 68.69 2jn6 s THR 5 CO -0.02 -0.23 0.06 -0.72 -0.69 0.00 0.00 174.62 173.02 2jn6 s TYR 6 N -1.90 1.25 0.87 4.92 -0.85 -1.26 -5.13 117.35 115.26 2jn6 s TYR 6 Ca 0.34 -1.17 -0.12 0.00 -0.52 0.00 0.00 57.07 55.60 2jn6 s TYR 6 Cb -0.10 -1.25 0.11 0.00 0.38 0.00 0.00 41.96 41.11 2jn6 s TYR 6 CO 0.28 -0.71 1.10 -1.12 -1.52 0.00 0.00 175.55 173.57 2jn6 s SER 7 N 1.78 3.81 0.38 -0.18 0.01 -1.26 -4.89 113.70 113.35 2jn6 s SER 7 Ca 0.03 1.32 0.06 0.00 1.31 0.00 0.00 55.95 58.67 2jn6 s SER 7 Cb -0.17 -2.00 0.79 0.00 0.21 0.00 0.00 66.02 64.84 2jn6 s SER 7 CO -0.15 -2.40 2.00 -0.33 0.41 0.00 0.00 173.24 172.77 2jn6 h GLU 8 N -1.39 0.66 -0.08 12.44 3.07 -2.00 -0.88 114.58 126.40 2jn6 h GLU 8 Ca -0.49 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.31 2jn6 h GLU 8 Cb 1.29 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 29.04 2jn6 h GLU 8 CO 0.58 0.43 -0.06 0.93 -1.40 0.00 0.00 179.01 179.49 2jn6 h GLU 9 N 0.68 0.11 -0.07 2.33 4.39 -1.97 0.31 114.58 120.35 2jn6 h GLU 9 Ca 0.24 -0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.75 2jn6 h GLU 9 Cb 0.12 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2jn6 h GLU 9 CO -0.07 0.19 -0.73 0.35 -1.16 0.00 0.00 179.01 177.59 2jn6 h PHE 10 N 0.11 0.53 -0.07 4.33 3.57 -1.52 -1.09 116.94 122.81 2jn6 h PHE 10 Ca 0.03 -0.24 -0.19 0.00 3.53 0.00 0.00 57.97 61.10 2jn6 h PHE 10 Cb 0.19 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 38.86 2jn6 h PHE 10 CO 0.00 0.99 -0.72 0.87 -2.23 0.00 0.00 178.31 177.22 2jn6 h LYS 11 N 0.27 0.60 0.00 1.11 1.57 -1.01 -2.82 116.57 116.29 2jn6 h LYS 11 Ca -0.03 -0.56 -0.04 0.00 -1.87 0.00 0.00 60.65 58.15 2jn6 h LYS 11 Cb 1.31 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.75 2jn6 h LYS 11 CO 0.12 1.18 -0.19 0.07 -0.57 0.00 0.00 179.45 180.06 2jn6 h ARG 12 N 0.23 0.00 -0.36 3.15 -0.00 -0.43 -2.53 114.38 114.45 2jn6 h ARG 12 Ca -0.07 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 59.76 2jn6 h ARG 12 Cb 1.38 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.34 2jn6 h ARG 12 CO 0.15 0.19 -0.37 0.22 -0.00 0.00 0.00 179.97 180.16 2jn6 h ASP 13 N 0.00 0.94 -0.82 0.08 3.58 -1.12 -1.74 116.42 117.34 2jn6 h ASP 13 Ca -0.00 -0.47 -0.01 0.00 0.42 0.00 0.00 57.03 56.97 2jn6 h ASP 13 Cb 0.66 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 41.40 2jn6 h ASP 13 CO 0.02 1.22 0.49 0.00 -2.88 0.00 0.00 179.24 178.10 2jn6 h ALA 14 N 0.75 1.31 -0.36 -0.78 0.00 -1.21 0.23 119.26 119.20 2jn6 h ALA 14 Ca 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2jn6 h ALA 14 Cb 0.96 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2jn6 h ALA 14 CO 0.09 0.59 0.19 0.28 0.00 0.00 0.00 179.25 180.40 2jn6 h VAL 15 N 1.14 1.15 -0.09 0.00 2.07 -1.22 -1.79 116.25 117.51 2jn6 h VAL 15 Ca 0.30 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 2jn6 h VAL 15 Cb -0.04 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2jn6 h VAL 15 CO -0.05 0.16 -0.22 0.00 0.02 0.00 0.00 177.57 177.47 2jn6 h ALA 16 N 1.04 1.46 -0.20 1.67 0.00 -0.85 -2.22 119.26 120.16 2jn6 h ALA 16 Ca 0.13 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 2jn6 h ALA 16 Cb 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2jn6 h ALA 16 CO -0.02 0.39 -0.29 -0.07 0.00 0.00 0.00 179.25 179.26 2jn6 h LEU 17 N 0.15 0.40 -1.20 0.00 3.38 -0.54 -2.62 115.31 114.88 2jn6 h LEU 17 Ca 0.03 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 2jn6 h LEU 17 Cb 0.48 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2jn6 h LEU 17 CO 0.03 0.68 -0.28 0.22 0.09 0.00 0.00 178.44 179.19 2jn6 h TYR 18 N 0.35 0.00 0.00 1.13 3.20 -0.71 -1.19 116.97 119.75 2jn6 h TYR 18 Ca 0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2jn6 h TYR 18 Cb 0.69 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.96 2jn6 h TYR 18 CO 0.02 0.28 0.00 0.93 -1.64 0.00 0.00 178.16 177.75 2jn6 h GLU 19 N 0.00 0.00 -0.51 1.82 4.39 -1.27 -2.79 114.58 116.22 2jn6 h GLU 19 Ca -0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.40 2jn6 h GLU 19 Cb 0.73 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.20 2jn6 h GLU 19 CO 0.04 0.00 -0.02 0.09 -1.16 0.00 0.00 179.01 177.96 2jn6 n ASN 20 N -2.94 3.25 0.14 1.42 3.02 -0.47 -4.67 115.26 115.00 2jn6 n ASN 20 Ca 0.02 -3.78 0.11 0.00 -0.03 0.00 0.00 54.58 50.90 2jn6 n ASN 20 Cb 0.33 -0.65 0.51 0.00 -0.61 0.00 0.00 39.78 39.36 2jn6 n ASN 20 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2jn6 n SER 21 N -1.07 0.61 -0.08 6.41 3.41 -1.05 -2.48 113.62 119.37 2jn6 n SER 21 Ca 0.40 0.69 0.21 0.00 -0.26 0.00 0.00 58.87 59.91 2jn6 n SER 21 Cb 1.06 -0.80 0.66 0.00 -0.26 0.00 0.00 64.21 64.87 2jn6 n SER 21 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2jn6 h ASP 22 N 0.00 0.09 0.00 4.04 3.58 -1.86 -1.09 116.42 121.18 2jn6 h ASP 22 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2jn6 h ASP 22 Cb 0.24 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.28 2jn6 h ASP 22 CO 0.00 0.04 -0.02 0.61 -2.88 0.00 0.00 179.24 176.99 2jn6 n GLY 23 N -1.63 3.14 3.07 -0.78 0.00 -1.03 -4.94 105.19 103.01 2jn6 n GLY 23 Ca 0.13 -0.38 0.03 0.00 0.00 0.00 0.00 46.02 45.81 2jn6 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jn6 s ALA 24 N -1.52 -3.37 1.14 4.61 0.00 -0.42 -5.08 121.76 117.12 2jn6 s ALA 24 Ca 0.11 1.00 -0.18 0.00 0.00 0.00 0.00 51.96 52.88 2jn6 s ALA 24 Cb 0.09 -2.79 0.27 0.00 0.00 0.00 0.00 23.12 20.69 2jn6 s ALA 24 CO 0.01 -2.17 1.17 -1.12 0.00 0.00 0.00 175.76 173.65 2jn6 s SER 25 N 2.41 1.47 0.15 0.00 0.01 -1.21 -3.87 113.70 112.66 2jn6 s SER 25 Ca 0.18 0.53 -0.21 0.00 1.31 0.00 0.00 55.95 57.75 2jn6 s SER 25 Cb -0.03 -0.71 0.03 0.00 0.21 0.00 0.00 66.02 65.52 2jn6 s SER 25 CO -0.18 -3.78 1.65 0.25 0.41 0.00 0.00 173.24 171.60 2jn6 h LEU 26 N -2.35 -0.54 -1.17 2.44 7.12 -1.97 -0.37 115.31 118.47 2jn6 h LEU 26 Ca -0.45 0.11 -0.07 0.00 0.13 0.00 0.00 57.88 57.60 2jn6 h LEU 26 Cb 1.28 0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 41.67 2jn6 h LEU 26 CO 0.35 -0.21 -0.23 -0.61 -0.13 0.00 0.00 178.44 177.61 2jn6 h GLN 27 N -0.16 0.29 -0.38 1.25 5.75 -1.96 -1.56 115.11 118.35 2jn6 h GLN 27 Ca 0.14 -0.09 -0.03 0.00 -0.15 0.00 0.00 58.65 58.51 2jn6 h GLN 27 Cb 0.36 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.87 2jn6 h GLN 27 CO -0.34 0.51 0.12 0.37 -2.65 0.00 0.00 178.83 176.85 2jn6 h GLN 28 N 0.27 0.59 0.13 1.69 -0.00 -1.50 0.09 115.11 116.38 2jn6 h GLN 28 Ca 0.04 -0.13 -0.01 0.00 -0.00 0.00 0.00 58.65 58.56 2jn6 h GLN 28 Cb 0.56 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.95 2jn6 h GLN 28 CO 0.04 0.60 -0.06 0.82 0.00 0.00 0.00 178.83 180.22 2jn6 h ILE 29 N 0.47 1.01 -0.54 2.39 1.08 -0.87 -2.96 117.51 118.09 2jn6 h ILE 29 Ca 0.12 -0.60 0.04 0.00 -0.39 0.00 0.00 64.86 64.04 2jn6 h ILE 29 Cb 0.25 1.38 -0.03 0.00 -3.07 0.00 0.00 36.82 35.35 2jn6 h ILE 29 CO -0.00 0.14 0.36 0.00 -0.69 0.00 0.00 178.15 177.95 2jn6 h ALA 30 N 0.36 1.79 -0.60 1.87 0.00 -1.21 -1.62 119.26 119.85 2jn6 h ALA 30 Ca -0.02 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2jn6 h ALA 30 Cb 0.37 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2jn6 h ALA 30 CO 0.03 0.14 0.06 -0.97 0.00 0.00 0.00 179.25 178.51 2jn6 h ASN 31 N 0.56 0.96 0.03 0.00 -0.73 -0.90 -0.38 115.58 115.12 2jn6 h ASN 31 Ca 0.22 -0.23 -0.26 0.00 1.87 0.00 0.00 56.30 57.90 2jn6 h ASN 31 Cb 0.18 -0.25 0.02 0.00 0.27 0.00 0.00 38.32 38.54 2jn6 h ASN 31 CO -0.06 0.98 -1.04 -0.78 -0.37 0.00 0.00 177.43 176.16 2jn6 h ASP 32 N 0.93 0.86 0.74 1.15 3.58 -1.19 -3.23 116.42 119.25 2jn6 h ASP 32 Ca 0.18 -0.77 -0.07 0.00 0.42 0.00 0.00 57.03 56.79 2jn6 h ASP 32 Cb 0.45 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 2jn6 h ASP 32 CO 0.02 1.52 -0.34 -0.07 -2.88 0.00 0.00 179.24 177.49 2jn6 h LEU 33 N 0.29 0.00 -0.71 2.28 4.07 -1.23 -3.47 115.31 116.55 2jn6 h LEU 33 Ca -0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.82 2jn6 h LEU 33 Cb 1.71 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.45 2jn6 h LEU 33 CO 0.20 0.34 0.00 0.61 -1.08 0.00 0.00 178.44 178.51 2jn6 n GLY 34 N 0.05 0.94 3.11 0.83 0.00 -0.21 -5.08 105.19 104.83 2jn6 n GLY 34 Ca -0.01 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 2jn6 n GLY 34 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jn6 s ILE 35 N -2.71 0.59 0.46 -0.61 -4.36 -0.87 -5.06 121.20 108.64 2jn6 s ILE 35 Ca 0.00 -1.50 -0.24 0.00 -0.26 0.00 0.00 60.65 58.65 2jn6 s ILE 35 Cb 0.00 -1.13 -0.07 0.00 1.25 0.00 0.00 42.46 42.51 2jn6 s ILE 35 CO 0.00 -0.63 1.25 0.20 0.24 0.00 0.00 174.94 176.00 2jn6 s ASN 36 N -2.30 6.01 0.47 4.36 -0.87 -1.26 -4.44 114.94 116.92 2jn6 s ASN 36 Ca 0.01 2.53 0.24 0.00 -1.57 0.00 0.00 52.86 54.06 2jn6 s ASN 36 Cb -0.02 -2.62 1.18 0.00 -0.02 0.00 0.00 41.25 39.77 2jn6 s ASN 36 CO -0.02 -1.04 1.96 0.08 -2.57 0.00 0.00 177.10 175.51 2jn6 h ARG 37 N 2.13 0.00 -0.35 -0.60 0.11 -1.92 -1.68 114.38 112.07 2jn6 h ARG 37 Ca -0.50 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.54 2jn6 h ARG 37 Cb 1.26 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.33 2jn6 h ARG 37 CO 0.60 0.19 0.05 0.28 0.10 0.00 0.00 179.97 181.20 2jn6 h VAL 38 N 0.00 1.24 -0.60 0.08 2.07 -1.99 -0.73 116.25 116.32 2jn6 h VAL 38 Ca -0.00 -0.85 -0.10 0.00 0.82 0.00 0.00 66.70 66.57 2jn6 h VAL 38 Cb 0.50 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 2jn6 h VAL 38 CO 0.02 0.28 -0.02 0.74 0.02 0.00 0.00 177.57 178.62 2jn6 h THR 39 N 0.41 1.27 -0.22 2.57 2.02 -1.71 -2.40 112.91 114.85 2jn6 h THR 39 Ca 0.11 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 2jn6 h THR 39 Cb 0.37 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2jn6 h THR 39 CO 0.01 0.43 0.10 0.25 0.37 0.00 0.00 175.52 176.68 2jn6 h LEU 40 N 0.98 0.28 -1.05 2.58 5.85 -1.29 -2.73 115.31 119.93 2jn6 h LEU 40 Ca 0.17 -0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.85 2jn6 h LEU 40 Cb 0.58 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.47 2jn6 h LEU 40 CO 0.03 0.32 0.63 0.50 -0.34 0.00 0.00 178.44 179.59 2jn6 h LYS 41 N 0.22 1.04 -0.16 1.25 3.64 -1.00 -1.96 116.57 119.61 2jn6 h LYS 41 Ca 0.07 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2jn6 h LYS 41 Cb 0.12 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2jn6 h LYS 41 CO -0.01 0.69 0.04 -0.91 -2.27 0.00 0.00 179.45 176.99 2jn6 h ASN 42 N 1.07 0.03 -0.38 4.20 2.35 -1.15 -2.32 115.58 119.39 2jn6 h ASN 42 Ca 0.45 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 56.24 2jn6 h ASN 42 Cb 0.30 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 2jn6 h ASN 42 CO -0.20 0.04 0.19 -0.50 -1.65 0.00 0.00 177.43 175.31 2jn6 h TRP 43 N 0.11 0.35 -0.43 1.19 6.55 -1.08 -0.21 115.95 122.43 2jn6 h TRP 43 Ca 0.07 0.02 0.02 0.00 0.95 0.00 0.00 58.89 59.94 2jn6 h TRP 43 Cb 0.05 -0.10 -0.03 0.00 -0.86 0.00 0.00 29.16 28.23 2jn6 h TRP 43 CO -0.12 0.18 0.26 0.82 -1.05 0.00 0.00 178.44 178.53 2jn6 h ILE 44 N 0.39 1.06 -0.25 1.49 2.04 -1.29 -1.06 117.51 119.88 2jn6 h ILE 44 Ca 0.16 -0.18 -0.15 0.00 1.00 0.00 0.00 64.86 65.69 2jn6 h ILE 44 Cb 0.07 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 2jn6 h ILE 44 CO -0.11 0.10 -0.44 0.40 0.00 0.00 0.00 178.15 178.10 2jn6 h ILE 45 N 0.53 1.30 -0.17 -0.67 2.04 -1.18 0.66 117.51 120.02 2jn6 h ILE 45 Ca 0.17 -1.63 -0.04 0.00 1.00 0.00 0.00 64.86 64.36 2jn6 h ILE 45 Cb -0.01 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2jn6 h ILE 45 CO -0.07 0.52 -0.05 0.11 0.00 0.00 0.00 178.15 178.66 2jn6 h LYS 46 N 0.52 0.33 0.02 2.37 1.57 -0.61 -3.30 116.57 117.46 2jn6 h LYS 46 Ca 0.04 -0.13 -0.38 0.00 -1.87 0.00 0.00 60.65 58.31 2jn6 h LYS 46 Cb 0.97 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.20 2jn6 h LYS 46 CO 0.09 0.61 -2.36 0.66 -0.57 0.00 0.00 179.45 177.87 2jn6 n TYR 47 N -4.66 0.23 -0.78 -1.35 4.01 -0.44 -4.42 117.16 109.75 2jn6 n TYR 47 Ca -0.05 0.05 -0.19 0.00 -0.16 0.00 0.00 57.90 57.55 2jn6 n TYR 47 Cb 0.27 -1.03 0.08 0.00 -0.31 0.00 0.00 39.34 38.35 2jn6 n TYR 47 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jn6 n GLY 48 N 2.10 4.21 0.27 2.72 0.00 0.22 -4.48 105.19 110.23 2jn6 n GLY 48 Ca -0.40 -1.15 0.13 0.00 0.00 0.00 0.00 46.02 44.60 2jn6 n GLY 48 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jn6 h SER 49 N 1.23 0.00 -0.03 1.61 0.02 -1.71 -2.25 113.55 112.42 2jn6 h SER 49 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 2jn6 h SER 49 Cb 1.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.95 2jn6 h SER 49 CO 0.89 0.10 -0.08 -3.20 -1.14 0.00 0.00 176.83 173.40 2jn6 n ASN 50 N -3.63 2.83 -3.75 3.07 4.05 -1.26 -4.97 115.26 111.59 2jn6 n ASN 50 Ca -0.02 -1.91 -0.21 0.00 0.45 0.00 0.00 54.58 52.88 2jn6 n ASN 50 Cb 0.22 0.08 -0.04 0.00 1.23 0.00 0.00 39.78 41.27 2jn6 n ASN 50 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 2jn6 n HIS 51 N 1.11 0.77 -2.26 1.20 8.25 -0.85 -5.02 115.22 118.43 2jn6 n HIS 51 Ca 0.13 -1.65 -0.04 0.00 -0.26 0.00 0.00 57.72 55.90 2jn6 n HIS 51 Cb 0.58 -0.22 -0.03 0.00 1.12 0.00 0.00 29.99 31.44 2jn6 n HIS 51 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2jn6 n ASN 52 N -1.21 -1.09 0.08 0.41 2.85 -1.26 -4.97 115.26 110.07 2jn6 n ASN 52 Ca -0.14 0.98 -0.15 0.00 -0.11 0.00 0.00 54.58 55.15 2jn6 n ASN 52 Cb 0.42 -4.03 -0.14 0.00 1.24 0.00 0.00 39.78 37.27 2jn6 n ASN 52 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 2jn6 h VAL 53 N 2.92 1.37 -5.47 3.44 2.07 -1.98 -3.49 116.25 115.10 2jn6 h VAL 53 Ca -0.39 -2.98 -0.04 0.00 0.82 0.00 0.00 66.70 64.11 2jn6 h VAL 53 Cb 0.88 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.51 2jn6 h VAL 53 CO 0.01 0.86 -0.14 1.67 0.02 0.00 0.00 177.57 179.99 2jn6 n GLN 54 N -3.48 -1.44 0.00 1.57 -0.06 -1.26 -5.04 117.38 107.67 2jn6 n GLN 54 Ca -0.11 1.50 0.00 0.00 -2.00 0.00 0.00 57.00 56.39 2jn6 n GLN 54 Cb 1.03 -5.47 0.00 0.00 -4.06 0.00 0.00 30.24 21.74 2jn6 n GLN 54 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2jn6 n GLY 55 N -1.61 0.88 1.89 1.69 0.00 -1.26 -5.03 105.19 101.75 2jn6 n GLY 55 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 2jn6 n GLY 55 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jn6 n THR 56 N 0.00 -8.94 -3.79 2.61 -1.04 -1.26 -5.06 114.28 96.81 2jn6 n THR 56 Ca 0.00 1.87 -0.28 0.00 -2.04 0.00 0.00 64.05 63.60 2jn6 n THR 56 Cb 0.00 -4.98 -0.16 0.00 -1.82 0.00 0.00 70.33 63.36 2jn6 n THR 56 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2jn6 s THR 57 N -0.37 0.74 0.83 12.58 2.01 -1.26 -5.14 115.64 125.04 2jn6 s THR 57 Ca -0.04 -0.64 -0.11 0.00 0.31 0.00 0.00 61.69 61.21 2jn6 s THR 57 Cb 0.00 -1.16 0.09 0.00 0.01 0.00 0.00 72.50 71.45 2jn6 s THR 57 CO 0.11 -0.13 1.09 -2.84 -0.69 0.00 0.00 174.62 172.16 2jn6 s PRO 58 N 1.76 1.77 0.49 4.92 0.02 -1.26 -4.93 135.00 137.77 2jn6 s PRO 58 Ca -0.01 0.82 0.22 0.00 0.02 0.00 0.00 61.00 62.05 2jn6 s PRO 58 Cb -0.17 -1.87 1.27 0.00 0.02 0.00 0.00 34.50 33.75 2jn6 s PRO 58 CO -0.07 -1.89 2.03 0.66 -0.33 0.00 0.00 177.00 177.40 2jn6 h SER 59 N -1.29 0.00 0.64 2.53 4.64 -2.02 -1.17 113.55 116.89 2jn6 h SER 59 Ca -0.47 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.79 2jn6 h SER 59 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 2jn6 h SER 59 CO 0.56 0.15 -0.25 0.00 -0.87 0.00 0.00 176.83 176.43 2jn6 h ALA 60 N 1.85 1.15 -0.00 5.18 0.00 -2.02 -2.51 119.26 122.90 2jn6 h ALA 60 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2jn6 h ALA 60 Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2jn6 h ALA 60 CO 0.02 0.31 -0.09 0.00 0.00 0.00 0.00 179.25 179.48 2jn6 n ALA 61 N -2.29 2.71 0.05 0.00 0.00 -0.45 -3.02 120.51 117.51 2jn6 n ALA 61 Ca -0.01 -0.23 -0.17 0.00 0.00 0.00 0.00 53.44 53.03 2jn6 n ALA 61 Cb 0.38 -1.37 -0.07 0.00 0.00 0.00 0.00 19.45 18.39 2jn6 n ALA 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jn6 h VAL 62 N 0.39 1.33 0.00 0.00 2.07 -1.45 -1.62 116.25 116.97 2jn6 h VAL 62 Ca 0.00 -2.29 -0.09 0.00 0.82 0.00 0.00 66.70 65.14 2jn6 h VAL 62 Cb 0.35 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 2jn6 h VAL 62 CO 0.00 0.70 -0.44 0.28 0.02 0.00 0.00 177.57 178.13 2jn6 h SER 63 N 0.34 0.00 -0.00 0.57 0.02 -1.65 -2.71 113.55 110.13 2jn6 h SER 63 Ca -0.10 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.71 2jn6 h SER 63 Cb 1.61 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.14 2jn6 h SER 63 CO 0.18 0.44 -0.47 -0.08 -1.14 0.00 0.00 176.83 175.77 2jn6 h GLU 64 N 0.00 0.55 0.00 3.45 4.57 -1.48 -3.05 114.58 118.62 2jn6 h GLU 64 Ca -0.00 -0.31 -0.01 0.00 -1.18 0.00 0.00 59.36 57.86 2jn6 h GLU 64 Cb 0.85 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.46 2jn6 h GLU 64 CO 0.06 0.90 -0.03 0.00 -1.18 0.00 0.00 179.01 178.77 2jn6 h ALA 65 N 1.05 1.28 0.12 2.92 0.00 -0.95 -2.40 119.26 121.27 2jn6 h ALA 65 Ca 0.03 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2jn6 h ALA 65 Cb 0.99 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2jn6 h ALA 65 CO 0.09 0.03 -0.20 1.49 0.00 0.00 0.00 179.25 180.67 2jn6 h GLU 66 N 0.00 -0.37 0.06 0.00 4.57 -1.55 -1.14 114.58 116.15 2jn6 h GLU 66 Ca -0.00 0.03 -0.25 0.00 -1.18 0.00 0.00 59.36 57.96 2jn6 h GLU 66 Cb 0.10 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2jn6 h GLU 66 CO 0.00 -0.25 -1.17 -0.56 -1.18 0.00 0.00 179.01 175.86 2jn6 h GLN 67 N -0.39 0.14 -0.03 1.92 3.07 -1.70 -3.32 115.11 114.80 2jn6 h GLN 67 Ca 0.02 -0.23 0.01 0.00 0.09 0.00 0.00 58.65 58.54 2jn6 h GLN 67 Cb 0.40 0.09 -0.01 0.00 0.08 0.00 0.00 27.48 28.04 2jn6 h GLN 67 CO -0.10 1.09 -0.01 0.82 0.09 0.00 0.00 178.83 180.72 2jn6 h ILE 68 N 0.04 0.96 -0.63 1.86 2.04 -1.24 0.16 117.51 120.69 2jn6 h ILE 68 Ca -0.09 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2jn6 h ILE 68 Cb 1.88 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 2jn6 h ILE 68 CO 0.16 0.00 0.37 0.08 0.00 0.00 0.00 178.15 178.76 2jn6 h ARG 69 N -0.01 0.86 0.01 2.37 0.11 -1.35 -0.87 114.38 115.51 2jn6 h ARG 69 Ca 0.02 -0.08 -0.00 0.00 0.10 0.00 0.00 59.98 60.02 2jn6 h ARG 69 Cb 0.03 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 30.93 2jn6 h ARG 69 CO -0.04 0.62 -0.00 0.37 0.10 0.00 0.00 179.97 181.02 2jn6 h GLN 70 N 0.87 -0.01 0.00 0.08 -0.00 -1.56 -3.18 115.11 111.31 2jn6 h GLN 70 Ca 0.23 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.86 2jn6 h GLN 70 Cb -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.47 2jn6 h GLN 70 CO -0.04 0.75 -0.10 1.25 0.00 0.00 0.00 178.83 180.69 2jn6 h LEU 71 N -0.80 0.00 -0.14 -2.39 7.12 -0.58 0.07 115.31 118.59 2jn6 h LEU 71 Ca -0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2jn6 h LEU 71 Cb 0.77 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.90 2jn6 h LEU 71 CO 0.00 0.10 0.00 1.17 -0.13 0.00 0.00 178.44 179.58 2jn6 n LYS 72 N -3.87 0.12 -1.07 1.25 0.00 -0.34 -4.11 118.16 110.13 2jn6 n LYS 72 Ca -0.02 0.20 -0.23 0.00 0.00 0.00 0.00 58.31 58.26 2jn6 n LYS 72 Cb 0.20 -1.67 -0.10 0.00 0.00 0.00 0.00 35.03 33.45 2jn6 n LYS 72 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2jn6 n LYS 73 N -1.89 2.61 -0.00 1.64 5.02 0.01 -3.86 118.16 121.69 2jn6 n LYS 73 Ca 0.05 -1.46 0.04 0.00 -2.02 0.00 0.00 58.31 54.92 2jn6 n LYS 73 Cb 0.31 -2.32 -0.06 0.00 -0.02 0.00 0.00 35.03 32.94 2jn6 n LYS 73 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2jn6 n GLU 74 N 3.04 2.60 0.00 1.97 -0.00 -1.26 -5.00 120.64 121.98 2jn6 n GLU 74 Ca 0.56 -0.03 0.00 0.00 -0.00 0.00 0.00 57.16 57.69 2jn6 n GLU 74 Cb 0.58 -1.03 0.00 0.00 -0.00 0.00 0.00 31.44 30.98 2jn6 n GLU 74 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2jn6 n ASN 75 N -1.45 0.00 0.33 -1.84 5.15 -1.25 -4.69 115.26 111.51 2jn6 n ASN 75 Ca 0.00 0.00 0.22 0.00 -0.60 0.00 0.00 54.58 54.20 2jn6 n ASN 75 Cb 0.18 -0.01 1.14 0.00 -0.53 0.00 0.00 39.78 40.56 2jn6 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jn6 h ALA 76 N 0.00 1.03 -0.69 5.20 0.00 -1.94 -2.68 119.26 120.17 2jn6 h ALA 76 Ca 0.00 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.05 2jn6 h ALA 76 Cb 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.69 2jn6 h ALA 76 CO 0.00 0.00 0.14 -0.07 0.00 0.00 0.00 179.25 179.32 2jn6 h LEU 77 N 0.00 -0.03 -0.42 0.00 3.38 -1.93 0.12 115.31 116.43 2jn6 h LEU 77 Ca -0.00 0.14 -0.18 0.00 0.09 0.00 0.00 57.88 57.93 2jn6 h LEU 77 Cb 0.07 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2jn6 h LEU 77 CO 0.00 -0.04 -0.72 1.56 0.09 0.00 0.00 178.44 179.33 2jn6 h GLN 78 N 0.25 0.38 0.00 1.13 4.20 -1.89 -3.16 115.11 116.02 2jn6 h GLN 78 Ca 0.38 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2jn6 h GLN 78 Cb 0.63 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.48 2jn6 h GLN 78 CO -0.49 0.95 0.00 0.54 -0.67 0.00 0.00 178.83 179.15 2jn6 n ARG 79 N -3.83 0.20 0.29 1.46 3.00 -0.42 -2.16 116.66 115.19 2jn6 n ARG 79 Ca -0.04 0.25 0.16 0.00 -0.01 0.00 0.00 57.85 58.21 2jn6 n ARG 79 Cb 0.70 -1.77 0.86 0.00 0.00 0.00 0.00 32.46 32.25 2jn6 n ARG 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jn6 h ALA 80 N 2.51 1.17 0.00 7.54 0.00 -0.78 -1.38 119.26 128.31 2jn6 h ALA 80 Ca 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2jn6 h ALA 80 Cb 0.58 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2jn6 h ALA 80 CO 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 179.25 179.03 2jn6 h ARG 81 N 0.00 0.00 0.00 0.00 3.08 -1.61 -2.84 114.38 113.01 2jn6 h ARG 81 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2jn6 h ARG 81 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2jn6 h ARG 81 CO 0.01 0.30 -0.33 1.15 -1.07 0.00 0.00 179.97 180.03 2jn6 h THR 82 N 0.00 1.06 -2.96 2.04 2.02 -1.40 -3.49 112.91 110.19 2jn6 h THR 82 Ca -0.00 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 65.98 2jn6 h THR 82 Cb 0.94 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 2jn6 h THR 82 CO 0.04 0.32 -0.69 -1.14 0.37 0.00 0.00 175.52 174.42 2jn6 n ARG 83 N -3.90 -3.76 -3.97 6.66 0.63 -1.07 -5.02 116.66 106.22 2jn6 n ARG 83 Ca -0.02 2.71 -0.28 0.00 -0.92 0.00 0.00 57.85 59.35 2jn6 n ARG 83 Cb 0.40 -2.99 -0.04 0.00 0.45 0.00 0.00 32.46 30.28 2jn6 n ARG 83 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2jn6 s HIS 84 N -1.76 3.41 1.12 -0.14 3.76 -1.26 -5.11 115.29 115.31 2jn6 s HIS 84 Ca 0.00 0.13 -0.16 0.00 -0.15 0.00 0.00 55.06 54.87 2jn6 s HIS 84 Cb 0.00 -1.66 0.25 0.00 1.11 0.00 0.00 32.58 32.28 2jn6 s HIS 84 CO 0.00 0.54 1.09 -1.25 -0.85 0.00 0.00 174.74 174.27 2jn6 s PRO 85 N -2.95 -0.58 -0.09 8.40 0.04 -1.26 -5.00 135.00 133.56 2jn6 s PRO 85 Ca 0.34 0.21 0.14 0.00 0.04 0.00 0.00 61.00 61.72 2jn6 s PRO 85 Cb -0.11 -1.65 0.29 0.00 0.04 0.00 0.00 34.50 33.07 2jn6 s PRO 85 CO 0.27 -3.34 1.14 0.00 0.04 0.00 0.00 177.00 175.11 2jn6 n ALA 86 N -4.55 2.60 0.25 8.56 0.00 -1.26 -4.77 120.51 121.35 2jn6 n ALA 86 Ca 0.09 -2.38 0.13 0.00 0.00 0.00 0.00 53.44 51.29 2jn6 n ALA 86 Cb 0.58 -0.48 0.62 0.00 0.00 0.00 0.00 19.45 20.18 2jn6 n ALA 86 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2jn6 h GLU 87 N 0.50 0.00 0.00 0.00 5.08 -2.03 -1.99 114.58 116.14 2jn6 h GLU 87 Ca -0.05 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 2jn6 h GLU 87 Cb 1.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2jn6 h GLU 87 CO 0.02 0.13 -0.36 0.66 -1.00 0.00 0.00 179.01 178.46 2jn6 h SER 88 N 0.00 0.00 1.09 1.42 4.64 -2.02 -2.89 113.55 115.79 2jn6 h SER 88 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2jn6 h SER 88 Cb 0.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 2jn6 h SER 88 CO 0.02 0.36 -0.21 0.00 -0.87 0.00 0.00 176.83 176.13 2jn6 h LEU 90 N 0.00 1.06 -0.61 0.00 5.85 -1.59 -2.16 115.31 117.85 2jn6 h LEU 90 Ca -0.00 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.58 2jn6 h LEU 90 Cb 0.81 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2jn6 h LEU 90 CO 0.03 0.69 -0.49 -0.08 -0.34 0.00 0.00 178.44 178.24 2jn6 h GLU 91 N 1.21 0.51 -3.88 1.25 4.81 -1.74 -3.38 114.58 113.35 2jn6 h GLU 91 Ca 0.43 -0.30 -0.68 0.00 -0.13 0.00 0.00 59.36 58.68 2jn6 h GLU 91 Cb 0.12 0.02 -0.37 0.00 0.63 0.00 0.00 28.75 29.16 2jn6 h GLU 91 CO -0.16 0.89 -0.51 -1.01 -0.73 0.00 0.00 179.01 177.49 2jn6 s HIS 92 N -4.08 3.44 0.08 0.92 3.76 -0.81 -5.07 115.29 113.53 2jn6 s HIS 92 Ca -0.07 -2.78 -0.31 0.00 -0.15 0.00 0.00 55.06 51.75 2jn6 s HIS 92 Cb 0.12 -3.09 -0.08 0.00 1.11 0.00 0.00 32.58 30.64 2jn6 s HIS 92 CO 0.83 -0.86 1.50 -1.01 -0.85 0.00 0.00 174.74 174.34 2jn6 s HIS 93 N 0.28 2.88 0.02 1.40 3.76 -1.25 -4.84 115.29 117.54 2jn6 s HIS 93 Ca 0.14 0.68 -0.30 0.00 -0.15 0.00 0.00 55.06 55.43 2jn6 s HIS 93 Cb -0.22 -3.80 -0.05 0.00 1.11 0.00 0.00 32.58 29.63 2jn6 s HIS 93 CO -0.03 -3.00 1.17 -3.38 -0.85 0.00 0.00 174.74 168.65 2jn6 s HIS 94 N 1.89 3.41 -0.33 1.40 -3.43 -1.26 -5.00 115.29 111.97 2jn6 s HIS 94 Ca 0.68 1.34 0.02 0.00 -0.80 0.00 0.00 55.06 56.30 2jn6 s HIS 94 Cb -0.37 -3.38 0.10 0.00 -1.43 0.00 0.00 32.58 27.50 2jn6 s HIS 94 CO 0.30 -1.10 0.07 -3.38 -2.00 0.00 0.00 174.74 168.63 2jn6 s HIS 95 N 1.33 2.95 1.02 0.38 -3.43 -1.26 -5.12 115.29 111.16 2jn6 s HIS 95 Ca 0.57 -2.50 -0.11 0.00 -0.80 0.00 0.00 55.06 52.22 2jn6 s HIS 95 Cb -0.27 -2.44 0.20 0.00 -1.43 0.00 0.00 32.58 28.64 2jn6 s HIS 95 CO 0.27 -0.92 1.09 -3.38 -2.00 0.00 0.00 174.74 169.80 2jn6 s HIS 96 N 1.19 1.55 -2.90 0.38 -3.43 -1.26 -5.32 115.29 105.49 2jn6 s HIS 96 Ca 0.10 1.51 0.23 0.00 -0.80 0.00 0.00 55.06 56.10 2jn6 s HIS 96 Cb -0.18 -3.22 0.18 0.00 -1.43 0.00 0.00 32.58 27.93 2jn6 s HIS 96 CO -0.15 -3.23 1.24 0.72 -2.00 0.00 0.00 174.74 171.32