#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jn6 n PRO 2 N 0.00 0.04 -3.56 0.03 -0.04 -1.26 -4.77 135.00 125.44 2jn6 n PRO 2 Ca 0.00 0.08 -0.36 0.00 -0.04 0.00 0.00 63.50 63.18 2jn6 n PRO 2 Cb 0.00 -1.56 -0.07 0.00 -0.04 0.00 0.00 33.50 31.83 2jn6 n PRO 2 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2jn6 s THR 3 N -3.03 5.32 -0.39 0.52 2.01 -1.26 -5.02 115.64 113.80 2jn6 s THR 3 Ca 0.12 0.51 0.03 0.00 0.31 0.00 0.00 61.69 62.66 2jn6 s THR 3 Cb 0.16 -3.61 0.16 0.00 0.01 0.00 0.00 72.50 69.22 2jn6 s THR 3 CO 0.50 0.40 0.36 -0.75 -0.69 0.00 0.00 174.62 174.43 2jn6 s LYS 4 N 0.40 0.72 0.26 4.92 2.36 -1.26 -5.14 119.74 121.99 2jn6 s LYS 4 Ca 0.16 -1.31 0.08 0.00 -2.55 0.00 0.00 55.97 52.35 2jn6 s LYS 4 Cb -0.13 -0.98 -0.04 0.00 -1.05 0.00 0.00 37.83 35.63 2jn6 s LYS 4 CO 0.03 -1.26 0.11 0.99 1.55 0.00 0.00 175.35 176.77 2jn6 s THR 5 N 0.95 4.02 -0.11 3.43 2.01 -1.26 -5.12 115.64 119.56 2jn6 s THR 5 Ca 0.22 -1.62 -0.03 0.00 0.31 0.00 0.00 61.69 60.57 2jn6 s THR 5 Cb -0.11 -3.16 0.05 0.00 0.01 0.00 0.00 72.50 69.28 2jn6 s THR 5 CO -0.06 -0.36 0.06 -0.72 -0.69 0.00 0.00 174.62 172.86 2jn6 s TYR 6 N -2.21 0.30 0.66 4.92 -0.85 -1.26 -5.15 117.35 113.77 2jn6 s TYR 6 Ca 0.32 -0.15 -0.14 0.00 -0.52 0.00 0.00 57.07 56.58 2jn6 s TYR 6 Cb -0.07 -0.67 -0.00 0.00 0.38 0.00 0.00 41.96 41.60 2jn6 s TYR 6 CO 0.23 -0.39 1.09 -1.54 -1.52 0.00 0.00 175.55 173.42 2jn6 s SER 7 N 2.10 5.20 0.44 -0.18 1.04 -1.26 -4.86 113.70 116.17 2jn6 s SER 7 Ca 0.03 1.91 0.12 0.00 0.48 0.00 0.00 55.95 58.49 2jn6 s SER 7 Cb -0.14 -2.54 0.97 0.00 0.10 0.00 0.00 66.02 64.41 2jn6 s SER 7 CO -0.06 -1.57 2.02 1.05 0.98 0.00 0.00 173.24 175.66 2jn6 h GLU 8 N -0.08 0.20 -0.24 4.02 4.11 -2.01 -0.54 114.58 120.05 2jn6 h GLU 8 Ca -0.46 -0.03 -0.11 0.00 0.07 0.00 0.00 59.36 58.84 2jn6 h GLU 8 Cb 1.24 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2jn6 h GLU 8 CO 0.55 0.24 -0.30 1.49 0.07 0.00 0.00 179.01 181.05 2jn6 h GLU 9 N 0.20 0.48 -0.50 1.06 4.57 -1.99 -0.39 114.58 118.01 2jn6 h GLU 9 Ca 0.05 -0.20 -0.12 0.00 -1.18 0.00 0.00 59.36 57.91 2jn6 h GLU 9 Cb 0.17 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2jn6 h GLU 9 CO 0.00 0.73 -0.15 0.35 -1.18 0.00 0.00 179.01 178.77 2jn6 h PHE 10 N 0.42 1.12 -0.95 0.92 3.57 -1.56 -0.94 116.94 119.52 2jn6 h PHE 10 Ca 0.05 -0.25 -0.00 0.00 3.53 0.00 0.00 57.97 61.30 2jn6 h PHE 10 Cb 0.74 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.17 2jn6 h PHE 10 CO 0.02 1.06 0.58 0.87 -2.23 0.00 0.00 178.31 178.61 2jn6 h LYS 11 N 0.85 1.28 -0.49 1.11 1.57 -0.81 0.21 116.57 120.29 2jn6 h LYS 11 Ca 0.12 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 2jn6 h LYS 11 Cb 0.72 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 2jn6 h LYS 11 CO 0.06 0.89 0.05 -0.09 -0.57 0.00 0.00 179.45 179.79 2jn6 h ARG 12 N 1.30 0.78 -0.13 3.15 2.43 -0.75 -2.02 114.38 119.14 2jn6 h ARG 12 Ca 0.34 -0.19 -0.14 0.00 -0.81 0.00 0.00 59.98 59.18 2jn6 h ARG 12 Cb -0.06 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 2jn6 h ARG 12 CO -0.06 0.76 -0.52 0.22 -1.51 0.00 0.00 179.97 178.86 2jn6 h ASP 13 N 0.74 0.40 0.08 -3.80 3.58 -0.53 -2.69 116.42 114.21 2jn6 h ASP 13 Ca 0.15 -0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.37 2jn6 h ASP 13 Cb 0.38 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 2jn6 h ASP 13 CO 0.01 0.84 -0.12 0.00 -2.88 0.00 0.00 179.24 177.10 2jn6 h ALA 14 N 1.17 1.69 -0.55 -0.78 0.00 -0.36 -0.36 119.26 120.06 2jn6 h ALA 14 Ca 0.01 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 2jn6 h ALA 14 Cb 1.01 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2jn6 h ALA 14 CO 0.09 0.23 0.05 0.28 0.00 0.00 0.00 179.25 179.89 2jn6 h VAL 15 N 0.09 1.25 -0.05 0.00 2.07 -1.05 -2.26 116.25 116.29 2jn6 h VAL 15 Ca 0.02 -1.01 -0.09 0.00 0.82 0.00 0.00 66.70 66.44 2jn6 h VAL 15 Cb 0.27 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2jn6 h VAL 15 CO 0.02 0.37 -0.37 0.00 0.02 0.00 0.00 177.57 177.60 2jn6 h ALA 16 N 1.19 1.29 -0.43 1.67 0.00 -0.98 -1.73 119.26 120.27 2jn6 h ALA 16 Ca 0.17 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2jn6 h ALA 16 Cb 0.44 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2jn6 h ALA 16 CO 0.02 0.51 0.04 -0.07 0.00 0.00 0.00 179.25 179.74 2jn6 h LEU 17 N 0.09 0.63 -0.94 0.00 3.38 -0.71 -2.22 115.31 115.54 2jn6 h LEU 17 Ca 0.01 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 2jn6 h LEU 17 Cb 0.70 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2jn6 h LEU 17 CO 0.05 0.68 -0.24 0.22 0.09 0.00 0.00 178.44 179.24 2jn6 h TYR 18 N 0.64 0.00 0.00 1.13 3.20 -0.78 -1.79 116.97 119.37 2jn6 h TYR 18 Ca 0.14 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2jn6 h TYR 18 Cb 0.35 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.62 2jn6 h TYR 18 CO 0.02 0.24 0.00 0.93 -1.64 0.00 0.00 178.16 177.70 2jn6 h GLU 19 N 0.00 0.00 -0.42 1.82 5.08 -0.81 -1.98 114.58 118.27 2jn6 h GLU 19 Ca -0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 2jn6 h GLU 19 Cb 0.83 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.01 2jn6 h GLU 19 CO 0.03 0.00 0.06 0.09 -1.00 0.00 0.00 179.01 178.19 2jn6 n ASN 20 N -2.99 3.70 0.14 1.42 3.02 -0.68 -4.65 115.26 115.23 2jn6 n ASN 20 Ca -0.01 -3.31 0.11 0.00 -0.03 0.00 0.00 54.58 51.35 2jn6 n ASN 20 Cb 0.21 -0.63 0.53 0.00 -0.61 0.00 0.00 39.78 39.28 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 -0.63 0.60 -0.03 6.41 3.41 -0.75 -1.24 113.62 121.40 2jn6 n SER 21 Ca 0.31 0.71 0.15 0.00 -0.26 0.00 0.00 58.87 59.78 2jn6 n SER 21 Cb 1.08 -0.81 0.59 0.00 -0.26 0.00 0.00 64.21 64.80 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 0.20 0.00 4.04 3.58 -1.84 -2.58 116.42 119.81 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 0.18 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2jn6 h ASP 22 CO 0.00 0.11 -1.39 0.61 -2.88 0.00 0.00 179.24 175.69 2jn6 n GLY 23 N -1.57 -0.55 2.77 -0.78 0.00 -0.37 -4.93 105.19 99.75 2jn6 n GLY 23 Ca 0.09 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.80 -0.37 1.01 4.61 0.00 -0.97 -5.13 121.76 118.10 2jn6 s ALA 24 Ca -0.03 0.33 -0.13 0.00 0.00 0.00 0.00 51.96 52.14 2jn6 s ALA 24 Cb 0.09 -1.37 0.19 0.00 0.00 0.00 0.00 23.12 22.04 2jn6 s ALA 24 CO 0.58 -1.22 1.10 0.45 0.00 0.00 0.00 175.76 176.67 2jn6 s SER 25 N 2.35 2.54 0.12 0.00 0.15 -1.24 -3.79 113.70 113.83 2jn6 s SER 25 Ca 0.08 1.10 -0.22 0.00 0.70 0.00 0.00 55.95 57.60 2jn6 s SER 25 Cb -0.16 -1.73 -0.06 0.00 -1.71 0.00 0.00 66.02 62.36 2jn6 s SER 25 CO -0.13 -3.17 1.69 0.25 1.20 0.00 0.00 173.24 173.08 2jn6 h LEU 26 N -1.92 -0.32 -1.49 3.45 5.85 -1.97 -0.60 115.31 118.30 2jn6 h LEU 26 Ca -0.54 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 2jn6 h LEU 26 Cb 1.33 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.50 2jn6 h LEU 26 CO 0.57 -0.14 0.12 -0.61 -0.34 0.00 0.00 178.44 178.04 2jn6 h GLN 27 N -0.14 0.46 -0.38 1.25 5.75 -1.95 -2.27 115.11 117.84 2jn6 h GLN 27 Ca 0.06 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 2jn6 h GLN 27 Cb 0.23 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 2jn6 h GLN 27 CO -0.16 0.39 -0.05 0.37 -2.65 0.00 0.00 178.83 176.73 2jn6 h GLN 28 N 0.46 0.70 0.11 1.69 5.75 -1.57 0.12 115.11 122.38 2jn6 h GLN 28 Ca 0.12 -0.25 -0.01 0.00 -0.15 0.00 0.00 58.65 58.36 2jn6 h GLN 28 Cb 0.11 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.61 2jn6 h GLN 28 CO -0.01 0.83 -0.06 0.82 -2.65 0.00 0.00 178.83 177.77 2jn6 h ILE 29 N 0.51 0.92 -0.27 2.39 1.08 -0.83 -1.57 117.51 119.74 2jn6 h ILE 29 Ca 0.10 -0.14 -0.02 0.00 -0.39 0.00 0.00 64.86 64.42 2jn6 h ILE 29 Cb 0.55 1.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.30 2jn6 h ILE 29 CO 0.03 0.03 0.10 0.00 -0.69 0.00 0.00 178.15 177.62 2jn6 h ALA 30 N 0.66 1.67 -0.10 1.87 0.00 -1.30 -1.73 119.26 120.33 2jn6 h ALA 30 Ca -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2jn6 h ALA 30 Cb 0.17 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2jn6 h ALA 30 CO 0.03 0.27 -0.02 -0.97 0.00 0.00 0.00 179.25 178.55 2jn6 h ASN 31 N 0.38 0.18 -0.34 0.00 -0.73 -0.42 0.18 115.58 114.84 2jn6 h ASN 31 Ca 0.10 -0.36 -0.17 0.00 1.87 0.00 0.00 56.30 57.74 2jn6 h ASN 31 Cb 0.10 -0.05 -0.00 0.00 0.27 0.00 0.00 38.32 38.63 2jn6 h ASN 31 CO -0.01 0.50 -0.45 -0.78 -0.37 0.00 0.00 177.43 176.32 2jn6 h ASP 32 N -0.14 0.98 1.38 1.15 3.58 -1.03 -3.00 116.42 119.35 2jn6 h ASP 32 Ca 0.02 -0.50 0.00 0.00 0.42 0.00 0.00 57.03 56.98 2jn6 h ASP 32 Cb 0.42 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.19 2jn6 h ASP 32 CO 0.01 1.29 0.00 0.18 -2.88 0.00 0.00 179.24 177.84 2jn6 n LEU 33 N -4.05 0.74 -2.14 2.28 4.32 -0.67 -4.93 117.00 112.54 2jn6 n LEU 33 Ca -0.03 0.58 -0.09 0.00 -0.02 0.00 0.00 56.01 56.44 2jn6 n LEU 33 Cb 0.58 -0.35 0.04 0.00 -1.62 0.00 0.00 43.42 42.07 2jn6 n LEU 33 CO 0.49 -0.20 0.07 0.61 -1.22 0.00 0.00 177.39 177.15 2jn6 n GLY 34 N 1.22 0.09 3.44 -0.72 0.00 -0.33 -5.05 105.19 103.84 2jn6 n GLY 34 Ca 0.05 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.17 1.02 0.34 -0.61 -4.36 -0.10 -5.05 121.20 109.28 2jn6 s ILE 35 Ca 0.07 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.20 2jn6 s ILE 35 Cb -0.03 -2.71 -0.09 0.00 1.25 0.00 0.00 42.46 40.88 2jn6 s ILE 35 CO 0.35 0.00 1.01 0.21 0.24 0.00 0.00 174.94 176.76 2jn6 s ASN 36 N -3.49 7.12 0.17 4.36 3.84 -1.26 -4.54 114.94 121.15 2jn6 s ASN 36 Ca 0.35 2.00 -0.10 0.00 0.21 0.00 0.00 52.86 55.32 2jn6 s ASN 36 Cb 0.08 -2.59 0.03 0.00 -0.55 0.00 0.00 41.25 38.21 2jn6 s ASN 36 CO 0.15 -0.23 1.57 -0.09 -2.79 0.00 0.00 177.10 175.72 2jn6 h ARG 37 N 3.10 1.01 -0.11 0.43 2.43 -1.94 -1.92 114.38 117.39 2jn6 h ARG 37 Ca -0.47 -0.41 -0.17 0.00 -0.81 0.00 0.00 59.98 58.12 2jn6 h ARG 37 Cb 1.20 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.72 2jn6 h ARG 37 CO 0.64 1.09 -0.60 0.28 -1.51 0.00 0.00 179.97 179.88 2jn6 h VAL 38 N 0.89 1.34 -0.69 0.20 2.07 -1.99 -1.68 116.25 116.39 2jn6 h VAL 38 Ca 0.12 -1.89 -0.02 0.00 0.82 0.00 0.00 66.70 65.74 2jn6 h VAL 38 Cb 0.74 2.16 -0.03 0.00 -1.52 0.00 0.00 31.29 32.64 2jn6 h VAL 38 CO 0.06 0.58 0.36 0.74 0.02 0.00 0.00 177.57 179.33 2jn6 h THR 39 N 0.24 1.22 -0.39 2.57 2.02 -1.96 0.30 112.91 116.91 2jn6 h THR 39 Ca -0.04 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 2jn6 h THR 39 Cb 1.24 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 2jn6 h THR 39 CO 0.12 0.25 0.20 0.25 0.37 0.00 0.00 175.52 176.71 2jn6 h LEU 40 N 0.96 0.51 -0.59 2.58 5.85 -1.32 -1.42 115.31 121.88 2jn6 h LEU 40 Ca 0.24 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.89 2jn6 h LEU 40 Cb 0.07 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 2jn6 h LEU 40 CO -0.04 0.48 0.33 0.50 -0.34 0.00 0.00 178.44 179.38 2jn6 h LYS 41 N 0.50 0.62 -0.89 1.25 3.11 -0.91 -2.13 116.57 118.11 2jn6 h LYS 41 Ca 0.14 -0.04 0.01 0.00 -2.81 0.00 0.00 60.65 57.94 2jn6 h LYS 41 Cb 0.10 -0.14 -0.04 0.00 -1.00 0.00 0.00 32.23 31.14 2jn6 h LYS 41 CO -0.02 0.41 0.58 -0.91 -2.81 0.00 0.00 179.45 176.70 2jn6 h ASN 42 N 0.64 1.04 -0.82 4.20 4.21 -0.62 -2.75 115.58 121.48 2jn6 h ASN 42 Ca 0.25 -0.04 0.01 0.00 1.21 0.00 0.00 56.30 57.74 2jn6 h ASN 42 Cb 0.11 -0.26 -0.04 0.00 -1.12 0.00 0.00 38.32 37.01 2jn6 h ASN 42 CO -0.14 0.76 0.54 -0.50 -1.29 0.00 0.00 177.43 176.80 2jn6 h TRP 43 N 1.22 1.02 -0.89 1.19 6.55 -0.61 -1.18 115.95 123.26 2jn6 h TRP 43 Ca 0.33 0.02 0.01 0.00 0.95 0.00 0.00 58.89 60.20 2jn6 h TRP 43 Cb -0.12 -0.35 -0.05 0.00 -0.86 0.00 0.00 29.16 27.79 2jn6 h TRP 43 CO -0.01 0.64 0.59 0.82 -1.05 0.00 0.00 178.44 179.43 2jn6 h ILE 44 N 1.10 1.22 0.00 1.49 2.04 -1.17 0.15 117.51 122.34 2jn6 h ILE 44 Ca 0.30 -0.41 -0.26 0.00 1.00 0.00 0.00 64.86 65.49 2jn6 h ILE 44 Cb -0.12 -0.08 0.02 0.00 -0.74 0.00 0.00 36.82 35.90 2jn6 h ILE 44 CO -0.07 0.22 -1.04 0.40 0.00 0.00 0.00 178.15 177.66 2jn6 h ILE 45 N 1.19 1.30 0.05 -0.67 2.04 -1.39 -1.59 117.51 118.44 2jn6 h ILE 45 Ca 0.33 -2.29 -0.00 0.00 1.00 0.00 0.00 64.86 63.90 2jn6 h ILE 45 Cb -0.12 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 2jn6 h ILE 45 CO -0.08 0.70 -0.02 0.50 0.00 0.00 0.00 178.15 179.25 2jn6 h LYS 46 N 0.36 -0.06 0.08 2.37 3.64 -0.93 -3.28 116.57 118.75 2jn6 h LYS 46 Ca -0.12 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 58.98 2jn6 h LYS 46 Cb 1.69 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.51 2jn6 h LYS 46 CO 0.20 0.57 -1.38 1.88 -2.27 0.00 0.00 179.45 178.45 2jn6 h TYR 47 N -0.90 0.31 -1.16 1.91 0.05 -0.87 -3.28 116.97 113.04 2jn6 h TYR 47 Ca -0.01 -0.23 -0.74 0.00 0.05 0.00 0.00 58.73 57.81 2jn6 h TYR 47 Cb 0.65 -0.01 -0.12 0.00 1.01 0.00 0.00 36.73 38.26 2jn6 h TYR 47 CO 0.16 1.23 2.38 0.41 -1.05 0.00 0.00 178.16 181.30 2jn6 n GLY 48 N 1.56 5.07 0.35 3.88 0.00 -0.60 -4.80 105.19 110.65 2jn6 n GLY 48 Ca -0.11 -2.04 0.19 0.00 0.00 0.00 0.00 46.02 44.05 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 4.89 0.63 0.00 1.61 0.02 -1.62 -3.41 113.55 115.66 2jn6 h SER 49 Ca 0.64 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.72 2jn6 h SER 49 Cb 0.38 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2jn6 h SER 49 CO 1.53 0.08 0.00 -3.20 -1.14 0.00 0.00 176.83 174.10 2jn6 n ASN 50 N -4.86 0.00 -4.73 3.07 2.85 -1.26 -4.88 115.26 105.45 2jn6 n ASN 50 Ca 0.27 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.33 2jn6 n ASN 50 Cb 0.79 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.77 2jn6 n ASN 50 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 2jn6 s HIS 51 N 0.00 3.52 -0.18 1.20 3.76 -1.26 -5.02 115.29 117.31 2jn6 s HIS 51 Ca 0.00 1.47 -0.05 0.00 -0.15 0.00 0.00 55.06 56.34 2jn6 s HIS 51 Cb 0.00 -3.34 0.06 0.00 1.11 0.00 0.00 32.58 30.41 2jn6 s HIS 51 CO 0.00 -0.91 0.10 1.21 -0.85 0.00 0.00 174.74 174.29 2jn6 s ASN 52 N 0.37 2.31 0.58 1.40 3.84 -1.26 -5.02 114.94 117.15 2jn6 s ASN 52 Ca 0.53 -0.60 0.30 0.00 0.21 0.00 0.00 52.86 53.29 2jn6 s ASN 52 Cb -0.30 -0.20 1.44 0.00 -0.55 0.00 0.00 41.25 41.64 2jn6 s ASN 52 CO 0.33 -0.35 1.84 -0.37 -2.79 0.00 0.00 177.10 175.75 2jn6 h VAL 53 N 6.41 0.37 -5.07 -5.21 -1.51 -2.03 -3.46 116.25 105.74 2jn6 h VAL 53 Ca -0.15 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 2jn6 h VAL 53 Cb 1.15 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 2jn6 h VAL 53 CO 0.29 0.00 -0.60 0.00 -1.23 0.00 0.00 177.57 176.04 2jn6 n GLN 54 N -3.80 -2.52 0.00 5.19 1.13 -1.26 -4.99 117.38 111.13 2jn6 n GLN 54 Ca 0.13 2.19 0.00 0.00 -1.94 0.00 0.00 57.00 57.38 2jn6 n GLN 54 Cb 0.84 -5.30 0.00 0.00 0.11 0.00 0.00 30.24 25.89 2jn6 n GLN 54 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jn6 n GLY 55 N -0.03 -1.02 3.00 1.08 0.00 -1.26 -5.11 105.19 101.84 2jn6 n GLY 55 Ca 0.08 0.68 -0.01 0.00 0.00 0.00 0.00 46.02 46.78 2jn6 n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jn6 n THR 56 N 0.00 -5.32 -3.65 2.61 -2.24 -1.26 -5.02 114.28 99.40 2jn6 n THR 56 Ca 0.00 0.96 -0.27 0.00 -2.27 0.00 0.00 64.05 62.47 2jn6 n THR 56 Cb 0.00 -4.22 -0.17 0.00 -2.10 0.00 0.00 70.33 63.85 2jn6 n THR 56 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jn6 s THR 57 N -0.96 0.12 0.40 4.28 -1.32 -1.26 -5.00 115.64 111.91 2jn6 s THR 57 Ca -0.03 -0.32 0.16 0.00 -1.21 0.00 0.00 61.69 60.29 2jn6 s THR 57 Cb 0.00 -0.75 0.16 0.00 -1.51 0.00 0.00 72.50 70.41 2jn6 s THR 57 CO 0.27 -0.28 1.93 1.55 -2.21 0.00 0.00 174.62 175.88 2jn6 h PRO 58 N 8.36 0.00 -0.46 7.08 0.13 -1.98 -2.90 132.00 142.22 2jn6 h PRO 58 Ca -0.16 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.90 2jn6 h PRO 58 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 2jn6 h PRO 58 CO 0.31 0.26 -0.03 0.77 -0.23 0.00 0.00 178.00 179.08 2jn6 h SER 59 N 0.00 0.76 1.94 1.44 0.02 -2.02 -2.03 113.55 113.67 2jn6 h SER 59 Ca -0.00 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2jn6 h SER 59 Cb 0.49 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 2jn6 h SER 59 CO 0.03 0.85 -0.02 0.00 -1.14 0.00 0.00 176.83 176.56 2jn6 h ALA 60 N 1.23 0.99 -0.00 3.77 0.00 -1.95 -3.12 119.26 120.17 2jn6 h ALA 60 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2jn6 h ALA 60 Cb 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2jn6 h ALA 60 CO 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 179.25 179.28 2jn6 n ALA 61 N -2.10 2.51 0.09 0.00 0.00 -0.78 -2.87 120.51 117.35 2jn6 n ALA 61 Ca 0.04 -0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 2jn6 n ALA 61 Cb 0.53 -1.47 -0.07 0.00 0.00 0.00 0.00 19.45 18.44 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 0.06 1.51 -0.04 0.00 2.07 -1.44 -3.15 116.25 115.26 2jn6 h VAL 62 Ca 0.00 -2.83 -0.08 0.00 0.82 0.00 0.00 66.70 64.61 2jn6 h VAL 62 Cb 0.33 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 2jn6 h VAL 62 CO 0.00 0.83 -0.35 0.28 0.02 0.00 0.00 177.57 178.34 2jn6 h SER 63 N 0.10 0.07 1.16 0.57 0.02 -1.70 -2.26 113.55 111.52 2jn6 h SER 63 Ca -0.07 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2jn6 h SER 63 Cb 1.70 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.22 2jn6 h SER 63 CO 0.16 0.43 0.00 -0.08 -1.14 0.00 0.00 176.83 176.20 2jn6 h GLU 64 N 0.06 0.00 0.00 3.45 4.57 -1.62 -3.17 114.58 117.87 2jn6 h GLU 64 Ca 0.01 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2jn6 h GLU 64 Cb 0.66 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.25 2jn6 h GLU 64 CO 0.05 0.00 -0.01 0.00 -1.18 0.00 0.00 179.01 177.87 2jn6 h ALA 65 N 2.10 1.71 -0.79 2.92 0.00 -1.41 0.10 119.26 123.89 2jn6 h ALA 65 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2jn6 h ALA 65 Cb 0.58 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2jn6 h ALA 65 CO 0.00 0.02 0.36 1.49 0.00 0.00 0.00 179.25 181.12 2jn6 h GLU 66 N 0.00 1.15 0.02 0.00 4.22 -1.73 -0.11 114.58 118.13 2jn6 h GLU 66 Ca -0.00 -0.18 -0.21 0.00 0.08 0.00 0.00 59.36 59.05 2jn6 h GLU 66 Cb 0.03 -0.20 0.02 0.00 0.50 0.00 0.00 28.75 29.09 2jn6 h GLU 66 CO 0.00 0.90 -0.84 1.96 -2.18 0.00 0.00 179.01 178.86 2jn6 h GLN 67 N 1.13 0.53 -0.50 1.92 7.50 -1.26 -3.27 115.11 121.15 2jn6 h GLN 67 Ca 0.27 -0.60 0.06 0.00 0.50 0.00 0.00 58.65 58.88 2jn6 h GLN 67 Cb 0.15 0.18 -0.05 0.00 0.05 0.00 0.00 27.48 27.80 2jn6 h GLN 67 CO -0.03 1.22 0.21 0.82 -1.50 0.00 0.00 178.83 179.55 2jn6 h ILE 68 N 0.09 0.87 0.00 2.54 2.04 -0.65 -1.84 117.51 120.56 2jn6 h ILE 68 Ca -0.11 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 2jn6 h ILE 68 Cb 1.53 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 2jn6 h ILE 68 CO 0.16 0.07 -0.21 0.08 0.00 0.00 0.00 178.15 178.26 2jn6 h ARG 69 N 0.40 0.00 0.05 2.37 0.11 -1.11 -0.07 114.38 116.13 2jn6 h ARG 69 Ca 0.24 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.31 2jn6 h ARG 69 Cb 0.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.30 2jn6 h ARG 69 CO -0.22 0.21 -0.03 0.37 0.10 0.00 0.00 179.97 180.41 2jn6 h GLN 70 N 0.00 -0.07 -0.17 0.08 4.15 -1.40 -2.72 115.11 114.98 2jn6 h GLN 70 Ca -0.00 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.26 2jn6 h GLN 70 Cb 0.42 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 2jn6 h GLN 70 CO 0.03 0.38 -0.55 -0.07 -1.93 0.00 0.00 178.83 176.69 2jn6 h LEU 71 N -0.55 0.57 0.01 -2.39 -0.00 -1.08 -3.25 115.31 108.61 2jn6 h LEU 71 Ca -0.01 -0.30 -0.23 0.00 -0.00 0.00 0.00 57.88 57.34 2jn6 h LEU 71 Cb 0.48 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 40.95 2jn6 h LEU 71 CO 0.01 1.00 -1.13 0.50 -0.00 0.00 0.00 178.44 178.82 2jn6 h LYS 72 N 0.39 0.03 -6.39 1.13 3.64 -1.12 -3.41 116.57 110.84 2jn6 h LYS 72 Ca 0.01 -0.05 -0.55 0.00 -1.27 0.00 0.00 60.65 58.79 2jn6 h LYS 72 Cb 1.09 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.85 2jn6 h LYS 72 CO 0.10 0.95 1.00 0.21 -2.27 0.00 0.00 179.45 179.44 2jn6 s LYS 73 N -2.69 3.30 0.07 1.90 2.47 -1.03 -4.55 119.74 119.21 2jn6 s LYS 73 Ca -0.00 -0.09 0.00 0.00 -1.56 0.00 0.00 55.97 54.31 2jn6 s LYS 73 Cb 0.09 -4.12 0.00 0.00 -1.46 0.00 0.00 37.83 32.34 2jn6 s LYS 73 CO 0.83 -1.95 0.00 0.39 0.16 0.00 0.00 175.35 174.77 2jn6 n GLU 74 N 8.93 -3.77 -4.48 4.03 1.02 -1.26 -4.91 120.64 120.21 2jn6 n GLU 74 Ca 0.05 2.85 -0.24 0.00 -0.02 0.00 0.00 57.16 59.80 2jn6 n GLU 74 Cb 0.49 -3.28 -0.09 0.00 -0.02 0.00 0.00 31.44 28.55 2jn6 n GLU 74 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2jn6 s ASN 75 N -0.40 2.54 0.56 1.62 3.84 -1.26 -4.89 114.94 116.95 2jn6 s ASN 75 Ca 0.00 -1.62 0.25 0.00 0.21 0.00 0.00 52.86 51.70 2jn6 s ASN 75 Cb 0.00 0.42 1.57 0.00 -0.55 0.00 0.00 41.25 42.68 2jn6 s ASN 75 CO 0.00 -0.89 2.15 0.00 -2.79 0.00 0.00 177.10 175.57 2jn6 h ALA 76 N 1.89 1.87 -0.20 1.71 0.00 -1.99 -1.15 119.26 121.40 2jn6 h ALA 76 Ca -0.35 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.61 2jn6 h ALA 76 Cb 1.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2jn6 h ALA 76 CO 0.57 -0.17 0.20 -0.07 0.00 0.00 0.00 179.25 179.78 2jn6 h LEU 77 N 0.00 0.00 0.00 0.00 3.38 -1.99 0.26 115.31 116.96 2jn6 h LEU 77 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2jn6 h LEU 77 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2jn6 h LEU 77 CO -0.00 0.00 -0.00 1.56 0.09 0.00 0.00 178.44 180.09 2jn6 h GLN 78 N 0.00 -0.00 0.00 1.13 1.08 -1.62 -3.36 115.11 112.34 2jn6 h GLN 78 Ca 0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2jn6 h GLN 78 Cb 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 2jn6 h GLN 78 CO -0.00 0.92 -0.15 -2.13 -0.95 0.00 0.00 178.83 176.52 2jn6 n ARG 79 N -4.63 0.23 0.29 1.46 3.00 -0.88 -3.59 116.66 112.55 2jn6 n ARG 79 Ca -0.09 0.15 0.17 0.00 -0.00 0.00 0.00 57.85 58.09 2jn6 n ARG 79 Cb 0.44 -1.73 0.93 0.00 0.00 0.00 0.00 32.46 32.10 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 2.59 1.11 -0.37 5.13 0.00 -0.66 -2.87 119.26 124.20 2jn6 h ALA 80 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.02 2jn6 h ALA 80 Cb 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2jn6 h ALA 80 CO 0.00 -0.11 0.38 0.00 0.00 0.00 0.00 179.25 179.52 2jn6 h ARG 81 N 0.00 0.00 0.03 0.00 3.08 -1.80 -1.84 114.38 113.84 2jn6 h ARG 81 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 2jn6 h ARG 81 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 2jn6 h ARG 81 CO 0.00 0.00 -0.98 1.15 -1.07 0.00 0.00 179.97 179.07 2jn6 h THR 82 N 0.00 1.45 -3.82 2.04 2.02 -1.83 -3.47 112.91 109.30 2jn6 h THR 82 Ca 0.18 -2.62 -0.08 0.00 0.77 0.00 0.00 66.41 64.65 2jn6 h THR 82 Cb 0.94 2.54 -0.02 0.00 -1.74 0.00 0.00 68.15 69.87 2jn6 h THR 82 CO -0.00 0.77 -0.06 0.54 0.37 0.00 0.00 175.52 177.14 2jn6 n ARG 83 N -3.68 1.51 -3.49 6.66 1.74 -0.69 -5.15 116.66 113.56 2jn6 n ARG 83 Ca -0.06 -0.47 -0.19 0.00 -0.77 0.00 0.00 57.85 56.36 2jn6 n ARG 83 Cb 0.86 0.17 -0.13 0.00 -1.02 0.00 0.00 32.46 32.34 2jn6 n ARG 83 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2jn6 s HIS 84 N -1.41 -0.25 0.94 -1.55 5.65 -1.26 -4.95 115.29 112.46 2jn6 s HIS 84 Ca 0.01 0.15 -0.15 0.00 0.25 0.00 0.00 55.06 55.32 2jn6 s HIS 84 Cb 0.00 -0.39 0.18 0.00 -1.18 0.00 0.00 32.58 31.18 2jn6 s HIS 84 CO 0.01 -0.62 1.29 -1.25 -0.65 0.00 0.00 174.74 173.52 2jn6 s PRO 85 N 2.31 0.86 -0.14 2.88 0.04 -1.26 -5.04 135.00 134.66 2jn6 s PRO 85 Ca 0.07 -0.29 0.24 0.00 0.04 0.00 0.00 61.00 61.06 2jn6 s PRO 85 Cb -0.16 -1.86 0.47 0.00 0.04 0.00 0.00 34.50 32.99 2jn6 s PRO 85 CO -0.13 -2.29 1.14 0.00 0.04 0.00 0.00 177.00 175.76 2jn6 n ALA 86 N -3.71 2.53 -0.16 8.56 0.00 -1.26 -4.95 120.51 121.52 2jn6 n ALA 86 Ca 0.14 -2.58 -0.02 0.00 0.00 0.00 0.00 53.44 50.97 2jn6 n ALA 86 Cb 0.60 -0.80 0.07 0.00 0.00 0.00 0.00 19.45 19.32 2jn6 n ALA 86 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2jn6 h GLU 87 N 1.82 0.20 0.00 0.00 4.11 -2.01 -0.01 114.58 118.70 2jn6 h GLU 87 Ca -0.17 -0.01 -0.12 0.00 0.07 0.00 0.00 59.36 59.12 2jn6 h GLU 87 Cb 1.57 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.76 2jn6 h GLU 87 CO 0.15 0.13 -0.62 0.77 0.07 0.00 0.00 179.01 179.51 2jn6 h SER 88 N 0.21 0.00 0.24 3.06 0.02 -1.97 -3.30 113.55 111.81 2jn6 h SER 88 Ca 0.26 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.05 2jn6 h SER 88 Cb 0.36 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 2jn6 h SER 88 CO -0.36 0.56 -0.61 0.00 -1.14 0.00 0.00 176.83 175.29 2jn6 h LEU 90 N 0.27 0.03 0.14 0.00 8.10 -1.13 -3.14 115.31 119.57 2jn6 h LEU 90 Ca -0.01 -0.02 -0.26 0.00 0.11 0.00 0.00 57.88 57.71 2jn6 h LEU 90 Cb 1.13 -0.01 0.01 0.00 -0.44 0.00 0.00 40.66 41.35 2jn6 h LEU 90 CO 0.10 0.53 -1.24 -0.33 -4.11 0.00 0.00 178.44 173.39 2jn6 h GLU 91 N 0.02 0.29 0.00 0.17 5.08 -1.62 -3.51 114.58 115.01 2jn6 h GLU 91 Ca -0.00 -0.50 0.11 0.00 -1.00 0.00 0.00 59.36 57.96 2jn6 h GLU 91 Cb 0.90 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 2jn6 h GLU 91 CO 0.07 1.24 -0.14 0.72 -1.00 0.00 0.00 179.01 179.90 2jn6 n HIS 92 N -3.96 -2.23 -0.03 4.33 8.25 -0.01 -4.64 115.22 116.94 2jn6 n HIS 92 Ca -0.21 0.49 0.03 0.00 -0.26 0.00 0.00 57.72 57.77 2jn6 n HIS 92 Cb 0.90 -0.81 -0.13 0.00 1.12 0.00 0.00 29.99 31.08 2jn6 n HIS 92 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jn6 n HIS 93 N -2.00 0.00 -0.65 4.41 -0.00 -1.26 -4.96 115.22 110.76 2jn6 n HIS 93 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2jn6 n HIS 93 Cb 0.18 -0.52 0.00 0.00 -0.12 0.00 0.00 29.99 29.53 2jn6 n HIS 93 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jn6 n HIS 94 N -2.26 -1.79 -3.70 1.57 8.25 -1.26 -5.09 115.22 110.93 2jn6 n HIS 94 Ca -0.11 0.95 -0.14 0.00 -0.26 0.00 0.00 57.72 58.17 2jn6 n HIS 94 Cb 0.64 -2.04 -0.09 0.00 1.12 0.00 0.00 29.99 29.63 2jn6 n HIS 94 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jn6 s HIS 95 N -2.55 -0.39 0.14 4.41 2.46 -1.26 -5.18 115.29 112.92 2jn6 s HIS 95 Ca 0.00 0.81 -0.12 0.00 0.47 0.00 0.00 55.06 56.22 2jn6 s HIS 95 Cb 0.00 0.18 0.01 0.00 -0.13 0.00 0.00 32.58 32.64 2jn6 s HIS 95 CO 0.00 -0.37 0.32 -3.38 -2.47 0.00 0.00 174.74 168.84 2jn6 s HIS 96 N -0.65 0.13 0.00 3.88 -3.43 -1.26 -5.31 115.29 108.64 2jn6 s HIS 96 Ca -0.08 -0.50 0.00 0.00 -0.80 0.00 0.00 55.06 53.69 2jn6 s HIS 96 Cb -0.03 0.08 0.00 0.00 -1.43 0.00 0.00 32.58 31.19 2jn6 s HIS 96 CO 0.04 -0.70 0.45 1.58 -2.00 0.00 0.00 174.74 174.11