#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 -0.81 0.00 2.12 0.11 -2.13 -3.49 132.00 127.81 2jn6 h PRO 2 Ca 0.00 0.05 0.20 0.00 0.11 0.00 0.00 66.00 66.37 2jn6 h PRO 2 Cb 0.00 0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.26 2jn6 h PRO 2 CO 0.00 -0.54 0.57 -2.37 -0.21 0.00 0.00 178.00 175.45 2jn6 n THR 3 N -4.28 0.00 -3.67 -1.15 5.66 -1.26 -5.11 114.28 104.47 2jn6 n THR 3 Ca -0.10 -0.21 -0.29 0.00 -3.05 0.00 0.00 64.05 60.39 2jn6 n THR 3 Cb 0.33 0.46 -0.13 0.00 -1.55 0.00 0.00 70.33 69.44 2jn6 n THR 3 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2jn6 s LYS 4 N -2.02 1.19 0.20 1.09 2.36 -1.26 -5.12 119.74 116.19 2jn6 s LYS 4 Ca 0.20 -1.94 -0.03 0.00 -2.55 0.00 0.00 55.97 51.65 2jn6 s LYS 4 Cb -0.01 -2.19 -0.05 0.00 -1.05 0.00 0.00 37.83 34.53 2jn6 s LYS 4 CO 0.01 -1.18 0.42 0.99 1.55 0.00 0.00 175.35 177.15 2jn6 s THR 5 N 0.41 5.15 -0.27 3.43 2.01 -1.26 -5.08 115.64 120.03 2jn6 s THR 5 Ca 0.18 -0.11 -0.02 0.00 0.31 0.00 0.00 61.69 62.05 2jn6 s THR 5 Cb -0.23 -3.69 0.09 0.00 0.01 0.00 0.00 72.50 68.68 2jn6 s THR 5 CO -0.01 -0.13 0.08 -0.72 -0.69 0.00 0.00 174.62 173.15 2jn6 s TYR 6 N -1.84 1.33 0.54 4.92 1.13 -1.26 -5.02 117.35 117.16 2jn6 s TYR 6 Ca 0.41 -1.34 0.08 0.00 -1.41 0.00 0.00 57.07 54.80 2jn6 s TYR 6 Cb -0.11 -1.38 0.08 0.00 -1.10 0.00 0.00 41.96 39.44 2jn6 s TYR 6 CO 0.27 -0.78 0.65 0.43 -2.51 0.00 0.00 175.55 173.61 2jn6 n SER 7 N 4.96 2.18 -0.17 -0.18 7.64 -1.26 -4.95 113.62 121.84 2jn6 n SER 7 Ca -0.05 -2.54 0.20 0.00 1.01 0.00 0.00 58.87 57.49 2jn6 n SER 7 Cb 0.44 -0.29 0.58 0.00 -1.01 0.00 0.00 64.21 63.92 2jn6 n SER 7 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2jn6 h GLU 8 N 0.00 0.26 0.07 1.43 4.11 -2.00 -1.58 114.58 116.86 2jn6 h GLU 8 Ca -0.28 -0.02 0.02 0.00 0.07 0.00 0.00 59.36 59.16 2jn6 h GLU 8 Cb 1.18 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 2jn6 h GLU 8 CO 0.41 0.17 -0.22 1.49 0.07 0.00 0.00 179.01 180.93 2jn6 h GLU 9 N 0.26 -0.37 -0.38 1.06 4.81 -1.98 0.13 114.58 118.11 2jn6 h GLU 9 Ca 0.39 0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.56 2jn6 h GLU 9 Cb 1.15 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 2jn6 h GLU 9 CO -0.10 -0.25 -0.11 0.35 -0.73 0.00 0.00 179.01 178.18 2jn6 h PHE 10 N -0.39 0.83 -0.55 0.92 3.57 -1.68 0.30 116.94 119.94 2jn6 h PHE 10 Ca 0.04 -0.18 0.01 0.00 3.53 0.00 0.00 57.97 61.36 2jn6 h PHE 10 Cb 0.43 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 2jn6 h PHE 10 CO -0.23 0.89 0.36 0.87 -2.23 0.00 0.00 178.31 177.97 2jn6 h LYS 11 N 0.54 0.72 -0.27 1.11 1.57 -1.28 0.26 116.57 119.21 2jn6 h LYS 11 Ca 0.09 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2jn6 h LYS 11 Cb 0.63 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2jn6 h LYS 11 CO 0.04 0.48 -0.00 -0.09 -0.57 0.00 0.00 179.45 179.31 2jn6 h ARG 12 N 0.74 0.48 -0.75 3.15 2.43 -0.54 -2.80 114.38 117.10 2jn6 h ARG 12 Ca 0.20 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 2jn6 h ARG 12 Cb -0.08 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 2jn6 h ARG 12 CO -0.05 0.64 0.31 0.22 -1.51 0.00 0.00 179.97 179.58 2jn6 h ASP 13 N 0.26 1.01 -0.80 -3.80 1.82 -0.72 -1.97 116.42 112.23 2jn6 h ASP 13 Ca 0.08 -0.15 0.01 0.00 -0.39 0.00 0.00 57.03 56.58 2jn6 h ASP 13 Cb 0.43 -0.26 -0.04 0.00 0.68 0.00 0.00 39.33 40.14 2jn6 h ASP 13 CO 0.01 0.89 0.52 0.00 -1.61 0.00 0.00 179.24 179.05 2jn6 h ALA 14 N 1.25 1.01 -0.57 -0.78 0.00 -0.85 0.16 119.26 119.48 2jn6 h ALA 14 Ca 0.25 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 2jn6 h ALA 14 Cb 0.19 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2jn6 h ALA 14 CO -0.02 0.44 -0.03 0.28 0.00 0.00 0.00 179.25 179.91 2jn6 h VAL 15 N 1.08 1.27 -0.50 0.00 2.07 -1.19 -1.90 116.25 117.08 2jn6 h VAL 15 Ca 0.29 -1.18 -0.11 0.00 0.82 0.00 0.00 66.70 66.52 2jn6 h VAL 15 Cb -0.11 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2jn6 h VAL 15 CO -0.06 0.42 -0.13 0.00 0.02 0.00 0.00 177.57 177.83 2jn6 h ALA 16 N 0.96 0.83 -0.36 1.67 0.00 -0.87 -2.76 119.26 118.72 2jn6 h ALA 16 Ca 0.16 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2jn6 h ALA 16 Cb 0.59 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2jn6 h ALA 16 CO 0.04 0.65 0.01 1.25 0.00 0.00 0.00 179.25 181.20 2jn6 h LEU 17 N 0.84 0.53 -2.02 0.00 7.12 -0.50 -2.55 115.31 118.73 2jn6 h LEU 17 Ca 0.13 -0.10 -0.02 0.00 0.13 0.00 0.00 57.88 58.02 2jn6 h LEU 17 Cb 0.67 -0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 40.66 2jn6 h LEU 17 CO 0.05 0.59 -0.10 0.22 -0.13 0.00 0.00 178.44 179.08 2jn6 h TYR 18 N 0.54 0.00 0.00 1.25 3.20 -1.04 0.79 116.97 121.71 2jn6 h TYR 18 Ca 0.12 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2jn6 h TYR 18 Cb 0.34 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.61 2jn6 h TYR 18 CO 0.01 0.10 0.00 0.93 -1.64 0.00 0.00 178.16 177.56 2jn6 h GLU 19 N 0.00 0.00 -0.66 1.82 5.08 -1.46 -2.63 114.58 116.74 2jn6 h GLU 19 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2jn6 h GLU 19 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2jn6 h GLU 19 CO 0.01 0.00 0.01 0.09 -1.00 0.00 0.00 179.01 178.13 2jn6 n ASN 20 N -2.88 4.97 0.15 1.42 3.02 0.27 -4.46 115.26 117.77 2jn6 n ASN 20 Ca 0.02 -2.80 0.12 0.00 -0.03 0.00 0.00 54.58 51.88 2jn6 n ASN 20 Cb 0.32 -0.66 0.56 0.00 -0.61 0.00 0.00 39.78 39.39 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 0.49 0.61 -0.13 6.41 3.41 -0.99 -1.68 113.62 121.75 2jn6 n SER 21 Ca 0.24 0.73 0.16 0.00 -0.26 0.00 0.00 58.87 59.75 2jn6 n SER 21 Cb 1.07 -0.83 0.55 0.00 -0.26 0.00 0.00 64.21 64.73 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 0.30 0.00 4.04 3.58 -1.86 -1.94 116.42 120.55 2jn6 h ASP 22 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2jn6 h ASP 22 Cb 0.13 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2jn6 h ASP 22 CO 0.00 0.16 -0.03 0.61 -2.88 0.00 0.00 179.24 177.10 2jn6 n GLY 23 N -1.55 4.34 3.13 -0.78 0.00 -0.67 -4.92 105.19 104.73 2jn6 n GLY 23 Ca 0.13 -0.94 0.03 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.47 -2.26 0.57 4.61 0.00 -0.73 -5.13 121.76 116.36 2jn6 s ALA 24 Ca 0.26 1.09 -0.20 0.00 0.00 0.00 0.00 51.96 53.12 2jn6 s ALA 24 Cb 0.23 -2.44 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 2jn6 s ALA 24 CO 0.02 -1.75 1.22 -1.12 0.00 0.00 0.00 175.76 174.14 2jn6 s SER 25 N 2.80 5.35 0.24 0.00 0.01 -1.25 -4.06 113.70 116.79 2jn6 s SER 25 Ca 0.12 2.42 -0.05 0.00 1.31 0.00 0.00 55.95 59.74 2jn6 s SER 25 Cb -0.11 -2.60 0.43 0.00 0.21 0.00 0.00 66.02 63.94 2jn6 s SER 25 CO -0.26 -1.49 1.74 0.25 0.41 0.00 0.00 173.24 173.89 2jn6 h LEU 26 N 1.13 0.30 -1.24 2.44 6.46 -1.98 0.44 115.31 122.85 2jn6 h LEU 26 Ca -0.50 0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.38 2jn6 h LEU 26 Cb 1.29 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 41.25 2jn6 h LEU 26 CO 0.56 0.13 0.52 -0.61 -0.62 0.00 0.00 178.44 178.42 2jn6 h GLN 27 N 0.46 0.99 -0.03 1.25 -0.00 -1.99 0.18 115.11 115.95 2jn6 h GLN 27 Ca 0.40 -0.06 -0.24 0.00 -0.00 0.00 0.00 58.65 58.75 2jn6 h GLN 27 Cb 0.57 -0.22 0.01 0.00 0.00 0.00 0.00 27.48 27.84 2jn6 h GLN 27 CO -0.38 0.65 -0.94 0.37 0.00 0.00 0.00 178.83 178.53 2jn6 h GLN 28 N 1.01 0.61 -0.12 1.69 5.75 -0.96 -2.52 115.11 120.58 2jn6 h GLN 28 Ca 0.31 -0.61 0.02 0.00 -0.15 0.00 0.00 58.65 58.21 2jn6 h GLN 28 Cb -0.02 0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 2jn6 h GLN 28 CO -0.08 1.22 0.02 0.82 -2.65 0.00 0.00 178.83 178.16 2jn6 h ILE 29 N 0.37 0.94 -0.97 2.39 2.04 0.41 0.36 117.51 123.05 2jn6 h ILE 29 Ca -0.09 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.75 2jn6 h ILE 29 Cb 1.58 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 38.48 2jn6 h ILE 29 CO 0.18 0.01 0.63 0.00 0.00 0.00 0.00 178.15 178.97 2jn6 h ALA 30 N 1.09 1.30 -0.16 1.87 0.00 -1.02 0.22 119.26 122.57 2jn6 h ALA 30 Ca 0.05 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 2jn6 h ALA 30 Cb 0.05 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2jn6 h ALA 30 CO -0.08 0.64 -0.54 -0.91 0.00 0.00 0.00 179.25 178.37 2jn6 h ASN 31 N 1.31 0.53 -0.09 0.00 2.35 -0.99 0.17 115.58 118.87 2jn6 h ASN 31 Ca 0.35 -0.28 -0.06 0.00 -0.55 0.00 0.00 56.30 55.77 2jn6 h ASN 31 Cb -0.14 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.08 2jn6 h ASN 31 CO -0.08 0.97 -0.17 -0.78 -1.65 0.00 0.00 177.43 175.72 2jn6 h ASP 32 N 0.37 0.30 0.80 5.81 1.82 0.33 -3.25 116.42 122.59 2jn6 h ASP 32 Ca 0.01 -0.56 -0.18 0.00 -0.39 0.00 0.00 57.03 55.91 2jn6 h ASP 32 Cb 1.07 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.97 2jn6 h ASP 32 CO 0.10 0.80 -0.87 -0.07 -1.61 0.00 0.00 179.24 177.59 2jn6 h LEU 33 N -0.19 0.06 -1.54 2.28 4.07 -1.03 -3.48 115.31 115.47 2jn6 h LEU 33 Ca 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.92 2jn6 h LEU 33 Cb 0.75 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.47 2jn6 h LEU 33 CO 0.04 0.89 0.00 0.61 -1.08 0.00 0.00 178.44 178.90 2jn6 n GLY 34 N 0.93 0.56 3.27 0.83 0.00 0.41 -5.08 105.19 106.11 2jn6 n GLY 34 Ca -0.01 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.46 0.07 0.21 -0.61 -4.36 -0.05 -5.04 121.20 108.96 2jn6 s ILE 35 Ca 0.00 -2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 58.19 2jn6 s ILE 35 Cb 0.00 -2.50 -0.08 0.00 1.25 0.00 0.00 42.46 41.13 2jn6 s ILE 35 CO 0.00 0.00 0.73 0.21 0.24 0.00 0.00 174.94 176.12 2jn6 s ASN 36 N -3.32 7.10 0.32 4.36 2.47 -1.26 -4.53 114.94 120.08 2jn6 s ASN 36 Ca 0.39 1.44 0.01 0.00 0.42 0.00 0.00 52.86 55.12 2jn6 s ASN 36 Cb 0.04 -2.43 0.56 0.00 -1.45 0.00 0.00 41.25 37.98 2jn6 s ASN 36 CO 0.21 0.06 1.95 -0.09 -3.72 0.00 0.00 177.10 175.52 2jn6 h ARG 37 N 3.57 0.95 -0.12 0.43 2.43 -1.93 -1.07 114.38 118.64 2jn6 h ARG 37 Ca -0.48 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 58.57 2jn6 h ARG 37 Cb 1.20 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.53 2jn6 h ARG 37 CO 0.65 0.63 -0.18 0.28 -1.51 0.00 0.00 179.97 179.84 2jn6 h VAL 38 N 0.97 1.37 -0.76 0.20 2.07 -2.00 -2.91 116.25 115.19 2jn6 h VAL 38 Ca 0.32 -1.40 0.02 0.00 0.82 0.00 0.00 66.70 66.46 2jn6 h VAL 38 Cb 0.07 1.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 2jn6 h VAL 38 CO -0.10 0.41 0.50 0.74 0.02 0.00 0.00 177.57 179.14 2jn6 h THR 39 N -0.07 1.17 0.06 2.57 2.02 -1.83 0.04 112.91 116.86 2jn6 h THR 39 Ca 0.01 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 2jn6 h THR 39 Cb 0.73 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 2jn6 h THR 39 CO 0.04 0.18 -0.03 0.25 0.37 0.00 0.00 175.52 176.33 2jn6 h LEU 40 N 0.99 -0.06 -0.84 2.58 5.85 -1.21 -2.46 115.31 120.16 2jn6 h LEU 40 Ca 0.29 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 2jn6 h LEU 40 Cb -0.06 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 2jn6 h LEU 40 CO -0.07 -0.02 0.44 0.50 -0.34 0.00 0.00 178.44 178.94 2jn6 h LYS 41 N -0.10 1.18 -0.47 1.25 3.64 -1.16 -2.21 116.57 118.71 2jn6 h LYS 41 Ca -0.01 -0.15 0.07 0.00 -1.27 0.00 0.00 60.65 59.29 2jn6 h LYS 41 Cb 0.08 -0.22 -0.06 0.00 -0.41 0.00 0.00 32.23 31.62 2jn6 h LYS 41 CO 0.01 0.89 0.12 -0.91 -2.27 0.00 0.00 179.45 177.29 2jn6 h ASN 42 N 1.17 0.06 -0.72 4.20 4.21 -0.86 -0.18 115.58 123.46 2jn6 h ASN 42 Ca 0.29 0.07 -0.04 0.00 1.21 0.00 0.00 56.30 57.83 2jn6 h ASN 42 Cb 0.07 0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 37.32 2jn6 h ASN 42 CO -0.04 0.06 0.28 -0.50 -1.29 0.00 0.00 177.43 175.94 2jn6 h TRP 43 N 0.26 1.11 -0.60 1.19 6.55 -1.01 -2.24 115.95 121.21 2jn6 h TRP 43 Ca 0.23 -0.09 -0.00 0.00 0.95 0.00 0.00 58.89 59.98 2jn6 h TRP 43 Cb 0.28 -0.33 -0.03 0.00 -0.86 0.00 0.00 29.16 28.22 2jn6 h TRP 43 CO -0.20 0.86 0.36 0.82 -1.05 0.00 0.00 178.44 179.23 2jn6 h ILE 44 N 1.04 1.17 -0.37 1.49 2.04 -0.76 0.21 117.51 122.34 2jn6 h ILE 44 Ca 0.24 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 2jn6 h ILE 44 Cb 0.22 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 2jn6 h ILE 44 CO -0.02 0.18 0.13 0.40 0.00 0.00 0.00 178.15 178.84 2jn6 h ILE 45 N 0.81 1.20 0.00 -0.67 2.04 -0.81 -1.35 117.51 118.72 2jn6 h ILE 45 Ca 0.21 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 2jn6 h ILE 45 Cb -0.02 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2jn6 h ILE 45 CO -0.04 0.23 -0.27 0.50 0.00 0.00 0.00 178.15 178.57 2jn6 h LYS 46 N 0.45 0.00 0.00 2.37 3.64 -1.23 -3.23 116.57 118.58 2jn6 h LYS 46 Ca 0.12 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 2jn6 h LYS 46 Cb 0.23 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2jn6 h LYS 46 CO -0.01 0.51 -0.46 1.88 -2.27 0.00 0.00 179.45 179.10 2jn6 h TYR 47 N -1.00 0.00 0.00 1.91 0.05 -0.71 -2.15 116.97 115.07 2jn6 h TYR 47 Ca -0.05 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.68 2jn6 h TYR 47 Cb 0.63 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.36 2jn6 h TYR 47 CO 0.08 0.43 -0.22 0.78 -1.05 0.00 0.00 178.16 178.19 2jn6 h GLY 48 N 3.57 0.00 1.71 3.88 0.00 -1.24 -2.33 103.07 108.67 2jn6 h GLY 48 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 2jn6 h GLY 48 CO 0.06 0.00 -0.46 0.23 0.00 0.00 0.00 176.54 176.37 2jn6 h SER 49 N 0.00 0.00 0.00 0.19 0.87 -1.44 -3.48 113.55 109.69 2jn6 h SER 49 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jn6 h SER 49 Cb 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2jn6 h SER 49 CO 0.03 0.18 0.00 -3.20 -0.53 0.00 0.00 176.83 173.31 2jn6 n ASN 50 N -3.03 0.00 -3.92 6.23 5.15 -0.86 -4.73 115.26 114.10 2jn6 n ASN 50 Ca 0.01 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.90 2jn6 n ASN 50 Cb 0.61 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.79 2jn6 n ASN 50 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 2jn6 s HIS 51 N 0.00 0.31 -1.25 1.20 3.76 -1.26 -4.82 115.29 113.23 2jn6 s HIS 51 Ca 0.00 -0.70 -0.06 0.00 -0.15 0.00 0.00 55.06 54.15 2jn6 s HIS 51 Cb 0.00 -0.06 -0.01 0.00 1.11 0.00 0.00 32.58 33.62 2jn6 s HIS 51 CO 0.00 -0.65 0.71 -1.71 -0.85 0.00 0.00 174.74 172.24 2jn6 n ASN 52 N -0.15 -2.74 0.24 1.40 2.85 -1.26 -4.93 115.26 110.67 2jn6 n ASN 52 Ca -0.10 -0.89 -0.09 0.00 -0.11 0.00 0.00 54.58 53.39 2jn6 n ASN 52 Cb 0.63 -3.86 -0.05 0.00 1.24 0.00 0.00 39.78 37.74 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 -1.79 0.00 -2.07 3.44 2.07 -1.90 -3.21 116.25 112.79 2jn6 h VAL 53 Ca -0.63 0.00 -0.69 0.00 0.82 0.00 0.00 66.70 66.20 2jn6 h VAL 53 Cb 1.36 0.00 -0.34 0.00 -1.52 0.00 0.00 31.29 30.78 2jn6 h VAL 53 CO 0.54 0.00 0.20 0.00 0.02 0.00 0.00 177.57 178.32 2jn6 n GLN 54 N -3.67 3.87 0.08 1.57 3.00 -1.26 -4.76 117.38 116.22 2jn6 n GLN 54 Ca -0.08 -4.48 -0.02 0.00 -0.01 0.00 0.00 57.00 52.42 2jn6 n GLN 54 Cb 0.24 -2.32 0.23 0.00 0.00 0.00 0.00 30.24 28.40 2jn6 n GLN 54 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 2jn6 h GLY 55 N 3.29 0.30 -5.67 1.08 0.00 -1.94 -3.48 103.07 96.64 2jn6 h GLY 55 Ca 0.38 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2jn6 h GLY 55 CO 1.06 0.25 -0.94 -1.30 0.00 0.00 0.00 176.54 175.61 2jn6 n THR 56 N -4.06 -7.19 -3.92 4.70 -2.24 -1.26 -4.99 114.28 95.31 2jn6 n THR 56 Ca -0.01 1.30 -0.30 0.00 -2.27 0.00 0.00 64.05 62.77 2jn6 n THR 56 Cb 0.45 -4.86 -0.14 0.00 -2.10 0.00 0.00 70.33 63.69 2jn6 n THR 56 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2jn6 s THR 57 N -0.93 2.54 -0.40 4.28 -4.23 -1.26 -5.08 115.64 110.56 2jn6 s THR 57 Ca -0.06 -3.42 -0.29 0.00 -1.18 0.00 0.00 61.69 56.74 2jn6 s THR 57 Cb 0.00 -2.75 0.01 0.00 1.34 0.00 0.00 72.50 71.10 2jn6 s THR 57 CO 0.41 -0.84 1.34 -2.84 -0.54 0.00 0.00 174.62 172.15 2jn6 s PRO 58 N -0.43 3.67 -0.17 3.99 0.02 -1.26 -4.89 135.00 135.92 2jn6 s PRO 58 Ca 0.18 0.92 -0.22 0.00 0.02 0.00 0.00 61.00 61.91 2jn6 s PRO 58 Cb -0.22 -3.98 -0.19 0.00 0.02 0.00 0.00 34.50 30.13 2jn6 s PRO 58 CO -0.03 -1.45 0.37 0.66 -0.33 0.00 0.00 177.00 176.22 2jn6 h SER 59 N 10.16 0.00 0.43 2.53 4.64 -2.02 -3.39 113.55 125.90 2jn6 h SER 59 Ca -0.26 -0.61 -0.30 0.00 -0.47 0.00 0.00 61.79 60.15 2jn6 h SER 59 Cb 1.10 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.14 2jn6 h SER 59 CO 1.08 1.19 -1.77 0.00 -0.87 0.00 0.00 176.83 176.46 2jn6 n ALA 60 N -3.11 1.44 1.00 5.18 0.00 -1.26 -4.27 120.51 119.49 2jn6 n ALA 60 Ca -0.20 -0.78 0.10 0.00 0.00 0.00 0.00 53.44 52.56 2jn6 n ALA 60 Cb 0.53 -0.80 0.53 0.00 0.00 0.00 0.00 19.45 19.71 2jn6 n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jn6 n ALA 61 N -2.61 2.10 -0.07 0.00 0.00 -1.26 -1.00 120.51 117.67 2jn6 n ALA 61 Ca -0.19 -0.10 -0.08 0.00 0.00 0.00 0.00 53.44 53.06 2jn6 n ALA 61 Cb 1.06 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 19.11 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 0.00 0.61 0.10 0.00 2.07 -1.76 -3.31 116.25 113.97 2jn6 h VAL 62 Ca 0.00 -1.54 -0.28 0.00 0.82 0.00 0.00 66.70 65.70 2jn6 h VAL 62 Cb 0.18 1.24 0.02 0.00 -1.52 0.00 0.00 31.29 31.21 2jn6 h VAL 62 CO 0.00 0.21 -1.19 0.28 0.02 0.00 0.00 177.57 176.89 2jn6 h SER 63 N -1.00 0.65 0.17 0.57 0.02 -1.75 -3.30 113.55 108.92 2jn6 h SER 63 Ca -0.06 -0.62 -0.13 0.00 -0.84 0.00 0.00 61.79 60.14 2jn6 h SER 63 Cb 0.59 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2jn6 h SER 63 CO -0.04 1.44 -0.49 -0.08 -1.14 0.00 0.00 176.83 176.52 2jn6 h GLU 64 N 0.20 0.38 0.00 3.45 4.57 -1.30 -2.99 114.58 118.88 2jn6 h GLU 64 Ca -0.15 -0.21 -0.00 0.00 -1.18 0.00 0.00 59.36 57.81 2jn6 h GLU 64 Cb 1.86 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 30.47 2jn6 h GLU 64 CO 0.21 0.79 -0.01 0.00 -1.18 0.00 0.00 179.01 178.82 2jn6 h ALA 65 N 1.18 1.39 0.20 2.92 0.00 -1.65 -2.10 119.26 121.21 2jn6 h ALA 65 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2jn6 h ALA 65 Cb 0.98 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2jn6 h ALA 65 CO 0.08 0.01 -0.20 1.49 0.00 0.00 0.00 179.25 180.63 2jn6 h GLU 66 N 0.00 -0.43 0.09 0.00 4.57 -1.67 -0.05 114.58 117.11 2jn6 h GLU 66 Ca -0.00 0.03 -0.26 0.00 -1.18 0.00 0.00 59.36 57.95 2jn6 h GLU 66 Cb 0.04 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2jn6 h GLU 66 CO 0.00 -0.28 -1.20 -0.56 -1.18 0.00 0.00 179.01 175.79 2jn6 h GLN 67 N -0.44 0.20 -0.31 1.92 3.07 -1.68 -3.27 115.11 114.59 2jn6 h GLN 67 Ca -0.00 -0.34 -0.02 0.00 0.09 0.00 0.00 58.65 58.37 2jn6 h GLN 67 Cb 0.42 0.13 -0.01 0.00 0.08 0.00 0.00 27.48 28.09 2jn6 h GLN 67 CO -0.05 1.15 0.10 0.82 0.09 0.00 0.00 178.83 180.94 2jn6 h ILE 68 N 0.05 1.20 -0.44 1.86 2.04 -1.28 0.21 117.51 121.15 2jn6 h ILE 68 Ca -0.11 -0.65 -0.04 0.00 1.00 0.00 0.00 64.86 65.07 2jn6 h ILE 68 Cb 1.92 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 39.02 2jn6 h ILE 68 CO 0.18 0.22 0.11 0.03 0.00 0.00 0.00 178.15 178.69 2jn6 h ARG 69 N 0.35 0.66 -0.03 2.37 2.47 -1.12 -0.11 114.38 118.97 2jn6 h ARG 69 Ca 0.10 -0.12 -0.21 0.00 -1.26 0.00 0.00 59.98 58.50 2jn6 h ARG 69 Cb 0.24 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.45 2jn6 h ARG 69 CO -0.00 0.60 -0.86 1.96 0.56 0.00 0.00 179.97 182.23 2jn6 h GLN 70 N 0.64 0.40 -0.26 0.04 1.08 -1.57 -0.50 115.11 114.94 2jn6 h GLN 70 Ca 0.15 -0.39 -0.05 0.00 -1.45 0.00 0.00 58.65 56.91 2jn6 h GLN 70 Cb 0.24 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 2jn6 h GLN 70 CO -0.00 1.05 -0.02 1.25 -0.95 0.00 0.00 178.83 180.15 2jn6 h LEU 71 N 0.24 0.48 -0.35 1.46 6.46 -0.26 -2.80 115.31 120.53 2jn6 h LEU 71 Ca -0.06 -0.33 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 2jn6 h LEU 71 Cb 1.47 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 41.27 2jn6 h LEU 71 CO 0.15 0.69 -0.17 0.29 -0.62 0.00 0.00 178.44 178.78 2jn6 n LYS 72 N -4.58 0.76 0.00 1.25 4.76 -0.12 -4.97 118.16 115.25 2jn6 n LYS 72 Ca -0.03 -0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.06 2jn6 n LYS 72 Cb 0.27 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 2jn6 n LYS 72 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2jn6 n LYS 73 N -0.82 0.00 -3.81 1.97 4.81 -0.20 -4.77 118.16 115.35 2jn6 n LYS 73 Ca 0.13 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.55 2jn6 n LYS 73 Cb 0.31 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.36 2jn6 n LYS 73 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2jn6 s GLU 74 N 0.00 1.05 0.00 1.64 -1.05 -1.26 -4.65 118.70 114.43 2jn6 s GLU 74 Ca 0.00 -0.63 0.00 0.00 -0.15 0.00 0.00 54.97 54.19 2jn6 s GLU 74 Cb 0.00 0.32 0.00 0.00 -0.44 0.00 0.00 34.13 34.01 2jn6 s GLU 74 CO 0.00 -0.49 0.10 -1.71 0.95 0.00 0.00 175.26 174.11 2jn6 n ASN 75 N -0.85 0.19 -0.09 0.83 4.05 -1.26 -4.91 115.26 113.23 2jn6 n ASN 75 Ca -0.04 -0.73 -0.07 0.00 0.45 0.00 0.00 54.58 54.19 2jn6 n ASN 75 Cb 0.60 0.09 0.00 0.00 1.23 0.00 0.00 39.78 41.70 2jn6 n ASN 75 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2jn6 h ALA 76 N 0.00 0.35 -0.31 5.20 0.00 -1.99 -1.91 119.26 120.60 2jn6 h ALA 76 Ca 0.00 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.04 2jn6 h ALA 76 Cb 0.25 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2jn6 h ALA 76 CO 0.00 -0.31 0.32 1.37 0.00 0.00 0.00 179.25 180.63 2jn6 h LEU 77 N 0.22 0.00 -0.00 0.00 8.10 -2.00 -0.49 115.31 121.14 2jn6 h LEU 77 Ca 0.14 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.13 2jn6 h LEU 77 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.35 2jn6 h LEU 77 CO -0.16 0.00 -0.01 1.56 -4.11 0.00 0.00 178.44 175.72 2jn6 h GLN 78 N 0.00 0.01 0.00 0.17 1.08 -1.74 -3.32 115.11 111.31 2jn6 h GLN 78 Ca 0.15 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 2jn6 h GLN 78 Cb 0.79 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 2jn6 h GLN 78 CO -0.00 0.79 0.00 0.54 -0.95 0.00 0.00 178.83 179.21 2jn6 n ARG 79 N -4.70 0.23 0.29 1.46 3.00 -0.49 -2.67 116.66 113.78 2jn6 n ARG 79 Ca -0.09 0.34 0.15 0.00 -0.01 0.00 0.00 57.85 58.23 2jn6 n ARG 79 Cb 0.39 -1.85 0.88 0.00 0.00 0.00 0.00 32.46 31.88 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 2.37 1.39 0.00 7.54 0.00 -1.24 -0.69 119.26 128.64 2jn6 h ALA 80 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 2jn6 h ALA 80 Cb 0.54 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2jn6 h ALA 80 CO 0.00 0.05 -0.91 0.00 0.00 0.00 0.00 179.25 178.39 2jn6 h ARG 81 N 0.00 0.00 0.00 0.00 2.47 -1.70 -3.29 114.38 111.86 2jn6 h ARG 81 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2jn6 h ARG 81 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 2jn6 h ARG 81 CO 0.00 0.31 -0.51 1.15 0.56 0.00 0.00 179.97 181.49 2jn6 h THR 82 N 0.00 0.00 -2.51 2.04 2.02 -1.31 -3.45 112.91 109.70 2jn6 h THR 82 Ca -0.07 -0.95 -0.55 0.00 0.77 0.00 0.00 66.41 65.61 2jn6 h THR 82 Cb 1.39 1.69 -0.00 0.00 -1.74 0.00 0.00 68.15 69.49 2jn6 h THR 82 CO 0.04 0.00 1.18 -0.13 0.37 0.00 0.00 175.52 176.98 2jn6 s ARG 83 N -3.28 3.98 0.33 6.66 0.52 -0.51 -4.95 118.95 121.69 2jn6 s ARG 83 Ca 0.04 2.17 -0.02 0.00 -0.52 0.00 0.00 55.73 57.40 2jn6 s ARG 83 Cb 0.08 -4.09 -0.00 0.00 0.52 0.00 0.00 34.95 31.46 2jn6 s ARG 83 CO 0.73 -1.11 0.44 -1.01 0.02 0.00 0.00 175.30 174.37 2jn6 s HIS 84 N 4.86 1.07 1.12 -0.53 3.76 -1.26 -5.03 115.29 119.28 2jn6 s HIS 84 Ca 0.80 -1.29 -0.18 0.00 -0.15 0.00 0.00 55.06 54.24 2jn6 s HIS 84 Cb -0.34 -0.14 0.15 0.00 1.11 0.00 0.00 32.58 33.36 2jn6 s HIS 84 CO 0.33 -1.08 0.15 -2.30 -0.85 0.00 0.00 174.74 170.99 2jn6 n PRO 85 N -0.54 -2.06 -3.23 8.40 -0.02 -1.26 -5.03 135.00 131.24 2jn6 n PRO 85 Ca 0.01 -0.60 -0.21 0.00 -2.02 0.00 0.00 63.50 60.69 2jn6 n PRO 85 Cb 0.62 -1.65 0.03 0.00 -0.02 0.00 0.00 33.50 32.48 2jn6 n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jn6 s ALA 86 N -2.18 4.58 -0.04 3.55 0.00 -1.26 -5.02 121.76 121.39 2jn6 s ALA 86 Ca 0.51 -1.89 0.13 0.00 0.00 0.00 0.00 51.96 50.72 2jn6 s ALA 86 Cb -0.10 -1.31 0.08 0.00 0.00 0.00 0.00 23.12 21.79 2jn6 s ALA 86 CO 0.56 -0.64 1.45 1.05 0.00 0.00 0.00 175.76 178.18 2jn6 h GLU 87 N 0.43 0.00 -0.61 0.00 9.09 -2.01 -3.34 114.58 118.14 2jn6 h GLU 87 Ca -0.34 0.00 0.10 0.00 0.05 0.00 0.00 59.36 59.17 2jn6 h GLU 87 Cb 1.29 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.35 2jn6 h GLU 87 CO 0.46 0.61 0.41 0.66 0.05 0.00 0.00 179.01 181.20 2jn6 h SER 88 N 0.00 0.38 1.44 3.06 4.64 -2.00 0.18 113.55 121.25 2jn6 h SER 88 Ca -0.01 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 2jn6 h SER 88 Cb 1.41 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 2jn6 h SER 88 CO 0.08 0.23 -0.58 0.00 -0.87 0.00 0.00 176.83 175.69 2jn6 h LEU 90 N 0.00 0.40 -0.56 0.00 3.38 -1.22 -3.37 115.31 113.94 2jn6 h LEU 90 Ca -0.03 -0.87 -0.01 0.00 0.09 0.00 0.00 57.88 57.06 2jn6 h LEU 90 Cb 1.30 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 2jn6 h LEU 90 CO 0.04 1.57 0.31 -0.33 0.09 0.00 0.00 178.44 180.12 2jn6 h GLU 91 N -0.33 0.78 -6.47 1.13 5.08 -1.21 -3.38 114.58 110.18 2jn6 h GLU 91 Ca -0.27 -0.09 -0.53 0.00 -1.00 0.00 0.00 59.36 57.47 2jn6 h GLU 91 Cb 1.73 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.80 2jn6 h GLU 91 CO 0.08 0.60 0.25 -1.01 -1.00 0.00 0.00 179.01 177.92 2jn6 s HIS 92 N -5.87 3.82 0.00 4.33 3.76 -1.23 -3.18 115.29 116.92 2jn6 s HIS 92 Ca -0.13 1.65 0.00 0.00 -0.15 0.00 0.00 55.06 56.43 2jn6 s HIS 92 Cb 0.12 -2.90 0.00 0.00 1.11 0.00 0.00 32.58 30.91 2jn6 s HIS 92 CO 0.77 0.31 0.00 1.58 -0.85 0.00 0.00 174.74 176.55 2jn6 n HIS 93 N 2.46 0.00 -1.55 1.40 -0.00 -1.26 -4.90 115.22 111.36 2jn6 n HIS 93 Ca -0.01 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.31 2jn6 n HIS 93 Cb 0.49 -0.56 -0.02 0.00 -0.00 0.00 0.00 29.99 29.91 2jn6 n HIS 93 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jn6 n HIS 94 N -2.52 2.74 -3.48 1.57 -0.00 -1.19 -4.89 115.22 107.46 2jn6 n HIS 94 Ca 0.00 -3.02 -0.43 0.00 -0.00 0.00 0.00 57.72 54.27 2jn6 n HIS 94 Cb 0.11 -2.40 -0.09 0.00 -0.00 0.00 0.00 29.99 27.61 2jn6 n HIS 94 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jn6 s HIS 95 N 1.89 3.25 -0.18 1.57 2.46 -1.26 -5.05 115.29 117.98 2jn6 s HIS 95 Ca 0.61 -0.89 -0.16 0.00 0.47 0.00 0.00 55.06 55.09 2jn6 s HIS 95 Cb 0.17 -2.81 -0.04 0.00 -0.13 0.00 0.00 32.58 29.76 2jn6 s HIS 95 CO -0.07 -0.71 0.41 -1.58 -2.47 0.00 0.00 174.74 170.33 2jn6 s HIS 96 N 1.61 3.41 -2.02 3.88 5.04 -1.26 -5.28 115.29 120.69 2jn6 s HIS 96 Ca 0.04 0.69 0.16 0.00 -1.54 0.00 0.00 55.06 54.41 2jn6 s HIS 96 Cb -0.21 -2.52 0.13 0.00 0.04 0.00 0.00 32.58 30.01 2jn6 s HIS 96 CO 0.07 0.05 1.01 -2.39 -2.34 0.00 0.00 174.74 171.15