#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jn6 s PRO 2 N 0.00 2.13 0.03 0.03 0.04 -1.26 -5.10 135.00 130.87 2jn6 s PRO 2 Ca 0.00 0.08 0.04 0.00 0.04 0.00 0.00 61.00 61.16 2jn6 s PRO 2 Cb 0.00 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 2jn6 s PRO 2 CO 0.00 -1.45 -0.13 -0.08 0.04 0.00 0.00 177.00 175.38 2jn6 s THR 3 N -3.48 1.02 -0.36 1.26 -1.32 -1.26 -5.10 115.64 106.39 2jn6 s THR 3 Ca 0.61 -0.94 0.04 0.00 -1.21 0.00 0.00 61.69 60.19 2jn6 s THR 3 Cb -0.11 -0.93 0.17 0.00 -1.51 0.00 0.00 72.50 70.12 2jn6 s THR 3 CO 0.48 -0.01 0.47 -0.75 -2.21 0.00 0.00 174.62 172.60 2jn6 s LYS 4 N -1.08 0.64 0.21 7.08 2.36 -1.26 -5.16 119.74 122.53 2jn6 s LYS 4 Ca 0.01 -0.39 0.09 0.00 -2.55 0.00 0.00 55.97 53.12 2jn6 s LYS 4 Cb -0.08 -0.35 -0.04 0.00 -1.05 0.00 0.00 37.83 36.32 2jn6 s LYS 4 CO 0.01 -1.15 -0.03 0.99 1.55 0.00 0.00 175.35 176.72 2jn6 s THR 5 N 1.87 3.48 0.01 3.43 2.01 -1.26 -5.13 115.64 120.05 2jn6 s THR 5 Ca 0.15 -1.67 -0.07 0.00 0.31 0.00 0.00 61.69 60.41 2jn6 s THR 5 Cb -0.11 -2.79 -0.00 0.00 0.01 0.00 0.00 72.50 69.61 2jn6 s THR 5 CO -0.12 -0.21 0.12 -0.31 -0.69 0.00 0.00 174.62 173.41 2jn6 s TYR 6 N -1.95 0.08 0.45 4.92 2.02 -1.26 -5.16 117.35 116.45 2jn6 s TYR 6 Ca 0.28 -0.21 -0.21 0.00 -0.37 0.00 0.00 57.07 56.56 2jn6 s TYR 6 Cb -0.08 -0.07 -0.10 0.00 -0.40 0.00 0.00 41.96 41.31 2jn6 s TYR 6 CO 0.18 -0.30 1.00 -1.54 -1.57 0.00 0.00 175.55 173.32 2jn6 s SER 7 N -1.51 6.65 0.14 2.29 1.04 -1.26 -4.97 113.70 116.08 2jn6 s SER 7 Ca -0.13 1.82 -0.13 0.00 0.48 0.00 0.00 55.95 57.99 2jn6 s SER 7 Cb -0.07 -2.55 -0.00 0.00 0.10 0.00 0.00 66.02 63.50 2jn6 s SER 7 CO 0.00 -0.56 1.56 1.05 0.98 0.00 0.00 173.24 176.27 2jn6 h GLU 8 N 1.77 0.85 -0.06 4.02 -0.00 -2.01 -2.81 114.58 116.35 2jn6 h GLU 8 Ca -0.49 -0.31 -0.06 0.00 -0.00 0.00 0.00 59.36 58.49 2jn6 h GLU 8 Cb 1.20 -0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 29.88 2jn6 h GLU 8 CO 0.60 0.94 -0.25 1.49 -0.00 0.00 0.00 179.01 181.79 2jn6 h GLU 9 N 0.69 0.10 0.13 1.06 4.57 -1.97 0.23 114.58 119.39 2jn6 h GLU 9 Ca 0.12 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2jn6 h GLU 9 Cb 0.61 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 2jn6 h GLU 9 CO 0.04 0.36 -0.06 0.35 -1.18 0.00 0.00 179.01 178.51 2jn6 h PHE 10 N 0.09 -0.16 -0.01 0.92 3.57 -1.91 0.15 116.94 119.61 2jn6 h PHE 10 Ca 0.01 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.38 2jn6 h PHE 10 Cb 0.51 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 2jn6 h PHE 10 CO 0.00 0.01 -0.59 0.87 -2.23 0.00 0.00 178.31 176.36 2jn6 h LYS 11 N -0.29 0.02 -0.34 1.11 1.57 -1.24 -1.39 116.57 116.02 2jn6 h LYS 11 Ca -0.02 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 2jn6 h LYS 11 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2jn6 h LYS 11 CO 0.03 0.61 0.03 -0.09 -0.57 0.00 0.00 179.45 179.46 2jn6 h ARG 12 N 0.02 0.58 0.00 3.15 2.43 -0.38 -2.11 114.38 118.07 2jn6 h ARG 12 Ca -0.01 -0.17 -0.09 0.00 -0.81 0.00 0.00 59.98 58.90 2jn6 h ARG 12 Cb 1.06 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 2jn6 h ARG 12 CO 0.08 0.68 -0.43 0.22 -1.51 0.00 0.00 179.97 179.01 2jn6 h ASP 13 N 0.40 0.00 -0.36 -3.80 3.58 -0.55 -2.35 116.42 113.34 2jn6 h ASP 13 Ca 0.10 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 2jn6 h ASP 13 Cb 0.40 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 2jn6 h ASP 13 CO 0.01 0.43 0.14 0.00 -2.88 0.00 0.00 179.24 176.94 2jn6 h ALA 14 N 1.57 1.45 -0.92 -0.78 0.00 -0.90 0.16 119.26 119.84 2jn6 h ALA 14 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2jn6 h ALA 14 Cb 0.80 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2jn6 h ALA 14 CO 0.06 0.41 0.52 0.28 0.00 0.00 0.00 179.25 180.52 2jn6 h VAL 15 N 0.61 1.26 -0.39 0.00 2.07 -0.83 -0.85 116.25 118.12 2jn6 h VAL 15 Ca 0.15 -0.62 -0.15 0.00 0.82 0.00 0.00 66.70 66.90 2jn6 h VAL 15 Cb 0.17 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 2jn6 h VAL 15 CO -0.01 0.29 -0.35 0.00 0.02 0.00 0.00 177.57 177.51 2jn6 h ALA 16 N 1.29 0.64 -0.41 1.67 0.00 -1.15 -2.88 119.26 118.42 2jn6 h ALA 16 Ca 0.33 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jn6 h ALA 16 Cb -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2jn6 h ALA 16 CO -0.06 0.67 0.27 -0.07 0.00 0.00 0.00 179.25 180.06 2jn6 h LEU 17 N 0.75 0.47 -0.78 0.00 3.38 -0.28 -2.70 115.31 116.15 2jn6 h LEU 17 Ca 0.07 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2jn6 h LEU 17 Cb 0.93 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 2jn6 h LEU 17 CO 0.09 0.34 0.29 0.22 0.09 0.00 0.00 178.44 179.47 2jn6 h TYR 18 N 0.55 1.21 0.00 1.13 3.20 -0.94 -2.21 116.97 119.91 2jn6 h TYR 18 Ca 0.15 -0.10 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 2jn6 h TYR 18 Cb -0.06 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 37.85 2jn6 h TYR 18 CO 0.00 0.93 -0.26 1.05 -1.64 0.00 0.00 178.16 178.23 2jn6 h GLU 19 N 1.14 0.00 -0.85 1.82 4.11 -1.46 -3.05 114.58 116.29 2jn6 h GLU 19 Ca 0.26 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.55 2jn6 h GLU 19 Cb 0.25 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.42 2jn6 h GLU 19 CO -0.02 0.26 0.17 0.09 0.07 0.00 0.00 179.01 179.59 2jn6 n ASN 20 N -3.26 3.74 0.12 3.06 3.02 -0.84 -4.37 115.26 116.72 2jn6 n ASN 20 Ca 0.01 -2.75 0.12 0.00 -0.03 0.00 0.00 54.58 51.93 2jn6 n ASN 20 Cb 0.54 -0.66 0.48 0.00 -0.61 0.00 0.00 39.78 39.53 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 0.00 0.66 0.07 6.41 3.41 -1.14 -2.05 113.62 120.98 2jn6 n SER 21 Ca 0.26 0.65 0.03 0.00 -0.26 0.00 0.00 58.87 59.54 2jn6 n SER 21 Cb 1.00 -0.79 0.40 0.00 -0.26 0.00 0.00 64.21 64.57 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 0.34 -0.21 4.04 1.82 -1.87 -2.25 116.42 118.29 2jn6 h ASP 22 Ca 0.00 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 2jn6 h ASP 22 Cb 0.41 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.33 2jn6 h ASP 22 CO 0.00 0.37 0.00 0.61 -1.61 0.00 0.00 179.24 178.61 2jn6 n GLY 23 N -1.13 1.17 3.13 -0.78 0.00 -0.87 -4.87 105.19 101.84 2jn6 n GLY 23 Ca 0.01 -0.57 -0.07 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.38 -1.26 0.32 4.61 0.00 -0.84 -5.14 121.76 118.07 2jn6 s ALA 24 Ca 0.28 1.33 -0.29 0.00 0.00 0.00 0.00 51.96 53.27 2jn6 s ALA 24 Cb 0.17 -1.56 -0.11 0.00 0.00 0.00 0.00 23.12 21.63 2jn6 s ALA 24 CO 0.25 -1.02 1.55 -1.12 0.00 0.00 0.00 175.76 175.42 2jn6 s SER 25 N 2.62 6.37 0.33 0.00 0.01 -1.25 -4.08 113.70 117.70 2jn6 s SER 25 Ca 0.06 2.97 0.07 0.00 1.31 0.00 0.00 55.95 60.37 2jn6 s SER 25 Cb -0.14 -2.65 0.76 0.00 0.21 0.00 0.00 66.02 64.21 2jn6 s SER 25 CO -0.15 -0.89 1.82 0.25 0.41 0.00 0.00 173.24 174.68 2jn6 h LEU 26 N 4.24 0.74 -0.83 2.44 5.85 -1.97 0.30 115.31 126.08 2jn6 h LEU 26 Ca -0.48 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.18 2jn6 h LEU 26 Cb 1.23 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 2jn6 h LEU 26 CO 0.74 0.33 -0.58 -0.61 -0.34 0.00 0.00 178.44 177.98 2jn6 h GLN 27 N 0.75 0.00 -0.39 1.25 5.75 -1.99 -2.20 115.11 118.29 2jn6 h GLN 27 Ca 0.51 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.95 2jn6 h GLN 27 Cb 0.80 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.33 2jn6 h GLN 27 CO -0.28 0.58 0.02 0.37 -2.65 0.00 0.00 178.83 176.87 2jn6 h GLN 28 N 0.00 0.68 -0.29 1.69 -0.00 -0.80 0.32 115.11 116.71 2jn6 h GLN 28 Ca -0.01 -0.21 0.03 0.00 -0.00 0.00 0.00 58.65 58.47 2jn6 h GLN 28 Cb 1.04 -0.07 -0.03 0.00 0.00 0.00 0.00 27.48 28.42 2jn6 h GLN 28 CO 0.08 0.76 0.09 0.82 0.00 0.00 0.00 178.83 180.58 2jn6 h ILE 29 N 0.51 0.92 -0.85 2.39 1.08 -1.11 0.37 117.51 120.81 2jn6 h ILE 29 Ca 0.11 -0.08 -0.03 0.00 -0.39 0.00 0.00 64.86 64.48 2jn6 h ILE 29 Cb 0.45 0.68 -0.04 0.00 -3.07 0.00 0.00 36.82 34.83 2jn6 h ILE 29 CO 0.02 0.04 0.42 0.00 -0.69 0.00 0.00 178.15 177.93 2jn6 h ALA 30 N 1.19 1.12 -0.23 1.87 0.00 -1.13 -1.16 119.26 120.92 2jn6 h ALA 30 Ca 0.13 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2jn6 h ALA 30 Cb 0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2jn6 h ALA 30 CO -0.14 0.67 -0.11 -0.91 0.00 0.00 0.00 179.25 178.76 2jn6 h ASN 31 N 1.21 0.49 -0.62 0.00 2.35 0.14 0.25 115.58 119.40 2jn6 h ASN 31 Ca 0.29 -0.41 -0.10 0.00 -0.55 0.00 0.00 56.30 55.54 2jn6 h ASN 31 Cb 0.11 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2jn6 h ASN 31 CO -0.04 0.79 0.01 -0.78 -1.65 0.00 0.00 177.43 175.76 2jn6 h ASP 32 N 0.19 1.07 1.38 5.81 3.58 -0.10 -2.71 116.42 125.63 2jn6 h ASP 32 Ca 0.05 -0.30 -0.09 0.00 0.42 0.00 0.00 57.03 57.11 2jn6 h ASP 32 Cb 0.61 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 2jn6 h ASP 32 CO 0.03 1.11 -0.64 -0.07 -2.88 0.00 0.00 179.24 176.79 2jn6 h LEU 33 N 0.99 0.00 -0.70 2.28 4.07 -1.25 -3.48 115.31 117.22 2jn6 h LEU 33 Ca 0.18 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.14 2jn6 h LEU 33 Cb 0.56 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.30 2jn6 h LEU 33 CO 0.03 0.40 0.00 0.61 -1.08 0.00 0.00 178.44 178.40 2jn6 n GLY 34 N 1.23 0.84 3.43 0.83 0.00 0.60 -5.07 105.19 107.06 2jn6 n GLY 34 Ca -0.00 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.70 1.75 0.37 -0.61 -4.36 0.32 -5.02 121.20 110.95 2jn6 s ILE 35 Ca 0.00 -2.16 -0.26 0.00 -0.26 0.00 0.00 60.65 57.98 2jn6 s ILE 35 Cb 0.00 -2.41 -0.09 0.00 1.25 0.00 0.00 42.46 41.21 2jn6 s ILE 35 CO 0.00 -0.33 1.10 0.21 0.24 0.00 0.00 174.94 176.15 2jn6 s ASN 36 N -3.44 6.80 0.36 4.36 3.84 -1.26 -4.48 114.94 121.12 2jn6 s ASN 36 Ca 0.29 2.18 0.04 0.00 0.21 0.00 0.00 52.86 55.58 2jn6 s ASN 36 Cb 0.03 -2.60 0.69 0.00 -0.55 0.00 0.00 41.25 38.82 2jn6 s ASN 36 CO 0.12 -0.47 2.00 -0.09 -2.79 0.00 0.00 177.10 175.87 2jn6 h ARG 37 N 2.84 0.77 -0.23 0.43 2.43 -1.93 -0.63 114.38 118.08 2jn6 h ARG 37 Ca -0.48 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 58.49 2jn6 h ARG 37 Cb 1.22 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 2jn6 h ARG 37 CO 0.63 0.51 -0.46 0.28 -1.51 0.00 0.00 179.97 179.42 2jn6 h VAL 38 N 0.80 1.31 -0.91 0.20 2.07 -1.99 -1.99 116.25 115.73 2jn6 h VAL 38 Ca 0.26 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 66.10 2jn6 h VAL 38 Cb 0.04 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 2jn6 h VAL 38 CO -0.07 0.53 0.57 0.74 0.02 0.00 0.00 177.57 179.36 2jn6 h THR 39 N 0.43 1.25 0.05 2.57 2.02 -1.77 -0.11 112.91 117.34 2jn6 h THR 39 Ca 0.01 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.68 2jn6 h THR 39 Cb 1.07 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 2jn6 h THR 39 CO 0.10 0.25 -0.04 0.25 0.37 0.00 0.00 175.52 176.45 2jn6 h LEU 40 N 1.25 -0.10 -1.07 2.58 5.85 -1.07 -2.44 115.31 120.32 2jn6 h LEU 40 Ca 0.33 0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.12 2jn6 h LEU 40 Cb -0.09 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 2jn6 h LEU 40 CO -0.07 -0.06 0.63 0.11 -0.34 0.00 0.00 178.44 178.71 2jn6 h LYS 41 N -0.09 1.09 -0.22 1.25 1.57 -0.79 -1.61 116.57 117.78 2jn6 h LYS 41 Ca -0.00 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 2jn6 h LYS 41 Cb 0.08 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 2jn6 h LYS 41 CO -0.00 0.72 -0.13 -0.91 -0.57 0.00 0.00 179.45 178.56 2jn6 h ASN 42 N 1.13 0.34 -0.54 0.86 2.35 -0.76 -2.83 115.58 116.13 2jn6 h ASN 42 Ca 0.41 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 56.05 2jn6 h ASN 42 Cb 0.16 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 2jn6 h ASN 42 CO -0.16 0.50 0.19 -0.50 -1.65 0.00 0.00 177.43 175.81 2jn6 h TRP 43 N 0.33 0.85 -0.30 1.19 6.55 -0.81 -1.22 115.95 122.54 2jn6 h TRP 43 Ca 0.06 -0.08 -0.02 0.00 0.95 0.00 0.00 58.89 59.81 2jn6 h TRP 43 Cb 0.44 -0.25 -0.01 0.00 -0.86 0.00 0.00 29.16 28.47 2jn6 h TRP 43 CO 0.01 0.72 0.12 0.82 -1.05 0.00 0.00 178.44 179.06 2jn6 h ILE 44 N 0.74 1.18 -0.11 1.49 5.03 -1.43 0.10 117.51 124.52 2jn6 h ILE 44 Ca 0.18 -0.54 -0.12 0.00 -0.12 0.00 0.00 64.86 64.26 2jn6 h ILE 44 Cb 0.25 0.97 -0.01 0.00 -3.03 0.00 0.00 36.82 34.99 2jn6 h ILE 44 CO -0.01 0.19 -0.45 0.40 -0.68 0.00 0.00 178.15 177.59 2jn6 h ILE 45 N 0.34 1.33 0.04 -0.67 2.04 -1.36 -2.01 117.51 117.22 2jn6 h ILE 45 Ca 0.10 -1.63 -0.24 0.00 1.00 0.00 0.00 64.86 64.09 2jn6 h ILE 45 Cb 0.17 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 2jn6 h ILE 45 CO -0.01 0.49 -1.30 0.50 0.00 0.00 0.00 178.15 177.83 2jn6 h LYS 46 N 0.22 0.09 0.10 2.37 3.64 -1.12 -3.38 116.57 118.49 2jn6 h LYS 46 Ca 0.02 -0.15 -0.36 0.00 -1.27 0.00 0.00 60.65 58.88 2jn6 h LYS 46 Cb 0.89 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 2jn6 h LYS 46 CO 0.07 1.07 -2.00 0.66 -2.27 0.00 0.00 179.45 176.99 2jn6 n TYR 47 N -4.20 1.11 -0.92 1.91 4.01 0.35 -4.39 117.16 115.03 2jn6 n TYR 47 Ca -0.29 0.26 0.08 0.00 -0.16 0.00 0.00 57.90 57.79 2jn6 n TYR 47 Cb 0.76 -1.15 0.32 0.00 -0.31 0.00 0.00 39.34 38.97 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 1.95 3.50 0.07 2.72 0.00 -0.76 -4.62 105.19 108.05 2jn6 n GLY 48 Ca -0.31 -0.97 -0.04 0.00 0.00 0.00 0.00 46.02 44.70 2jn6 n GLY 48 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jn6 h SER 49 N 2.86 0.00 0.00 1.61 4.64 -1.72 -3.48 113.55 117.46 2jn6 h SER 49 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2jn6 h SER 49 Cb 1.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.74 2jn6 h SER 49 CO 0.33 0.73 0.00 -3.20 -0.87 0.00 0.00 176.83 173.83 2jn6 n ASN 50 N -4.64 0.00 0.00 4.97 5.15 -1.26 -4.85 115.26 114.62 2jn6 n ASN 50 Ca -0.07 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 2jn6 n ASN 50 Cb 0.23 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.48 2jn6 n ASN 50 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 2jn6 n HIS 51 N 0.00 0.00 -0.65 1.20 -0.00 -1.26 -1.60 115.22 112.90 2jn6 n HIS 51 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.74 2jn6 n HIS 51 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.02 2jn6 n HIS 51 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 2jn6 n ASN 52 N 2.50 1.35 0.01 0.26 6.94 -1.26 -4.77 115.26 120.30 2jn6 n ASN 52 Ca 0.00 -1.95 -0.12 0.00 -0.02 0.00 0.00 54.58 52.49 2jn6 n ASN 52 Cb 0.00 -0.10 -0.09 0.00 -2.36 0.00 0.00 39.78 37.23 2jn6 n ASN 52 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 2jn6 h VAL 53 N 1.47 1.23 -1.29 3.53 2.07 -1.70 -3.49 116.25 118.06 2jn6 h VAL 53 Ca 0.00 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.26 2jn6 h VAL 53 Cb 0.81 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 2jn6 h VAL 53 CO 0.00 0.30 0.00 0.00 0.02 0.00 0.00 177.57 177.89 2jn6 n GLN 54 N -4.86 0.00 -0.47 1.57 6.02 -1.26 -4.60 117.38 113.78 2jn6 n GLN 54 Ca -0.08 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.94 2jn6 n GLN 54 Cb 0.28 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.60 2jn6 n GLN 54 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jn6 n GLY 55 N 0.00 2.08 2.63 1.08 0.00 -1.26 -4.98 105.19 104.75 2jn6 n GLY 55 Ca 0.00 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 2jn6 n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jn6 s THR 56 N -1.02 -0.16 -0.31 2.61 -4.23 -1.26 -5.12 115.64 106.16 2jn6 s THR 56 Ca 0.14 -1.04 -0.29 0.00 -1.18 0.00 0.00 61.69 59.33 2jn6 s THR 56 Cb 0.14 -0.93 0.01 0.00 1.34 0.00 0.00 72.50 73.06 2jn6 s THR 56 CO -0.01 -0.71 1.10 -0.89 -0.54 0.00 0.00 174.62 173.58 2jn6 s THR 57 N 1.68 4.47 0.57 3.99 2.01 -1.26 -5.03 115.64 122.06 2jn6 s THR 57 Ca 0.14 1.70 -0.18 0.00 0.31 0.00 0.00 61.69 63.66 2jn6 s THR 57 Cb -0.17 -4.37 -0.05 0.00 0.01 0.00 0.00 72.50 67.92 2jn6 s THR 57 CO -0.16 -0.45 1.10 -2.84 -0.69 0.00 0.00 174.62 171.58 2jn6 s PRO 58 N 3.68 3.29 0.31 4.92 0.02 -1.26 -4.95 135.00 141.01 2jn6 s PRO 58 Ca 0.47 1.48 0.00 0.00 0.02 0.00 0.00 61.00 62.97 2jn6 s PRO 58 Cb -0.13 -2.01 0.51 0.00 0.02 0.00 0.00 34.50 32.89 2jn6 s PRO 58 CO 0.16 -0.87 1.92 0.77 -0.33 0.00 0.00 177.00 178.65 2jn6 h SER 59 N 0.91 0.76 1.03 2.53 0.02 -2.02 -0.81 113.55 115.97 2jn6 h SER 59 Ca -0.49 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.38 2jn6 h SER 59 Cb 1.25 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.59 2jn6 h SER 59 CO 0.57 0.65 -0.05 0.00 -1.14 0.00 0.00 176.83 176.85 2jn6 h ALA 60 N 1.47 1.01 -0.34 3.77 0.00 -2.04 -2.60 119.26 120.54 2jn6 h ALA 60 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2jn6 h ALA 60 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jn6 h ALA 60 CO -0.03 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.29 2jn6 n ALA 61 N -2.12 2.46 -0.02 0.00 0.00 -0.33 -4.14 120.51 116.36 2jn6 n ALA 61 Ca 0.01 -0.77 -0.03 0.00 0.00 0.00 0.00 53.44 52.64 2jn6 n ALA 61 Cb 0.34 -0.98 0.20 0.00 0.00 0.00 0.00 19.45 19.01 2jn6 n ALA 61 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2jn6 h VAL 62 N 3.12 1.25 -0.26 0.00 3.04 -1.28 -0.18 116.25 121.94 2jn6 h VAL 62 Ca 0.00 -1.14 -0.15 0.00 -1.01 0.00 0.00 66.70 64.39 2jn6 h VAL 62 Cb 0.69 1.18 -0.01 0.00 -2.01 0.00 0.00 31.29 31.15 2jn6 h VAL 62 CO 0.00 0.37 -0.46 0.28 -1.01 0.00 0.00 177.57 176.76 2jn6 h SER 63 N 0.52 0.74 -0.49 3.17 0.02 -1.80 -3.05 113.55 112.66 2jn6 h SER 63 Ca 0.09 -0.36 -0.04 0.00 -0.84 0.00 0.00 61.79 60.64 2jn6 h SER 63 Cb 0.58 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 2jn6 h SER 63 CO 0.04 1.09 0.17 -0.08 -1.14 0.00 0.00 176.83 176.90 2jn6 h GLU 64 N 0.55 0.80 0.00 3.45 4.57 -1.55 -1.78 114.58 120.62 2jn6 h GLU 64 Ca 0.03 -0.14 -0.04 0.00 -1.18 0.00 0.00 59.36 58.03 2jn6 h GLU 64 Cb 1.01 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 2jn6 h GLU 64 CO 0.09 0.70 -0.17 0.00 -1.18 0.00 0.00 179.01 178.45 2jn6 h ALA 65 N 1.40 1.19 -0.62 2.92 0.00 -0.96 -1.30 119.26 121.89 2jn6 h ALA 65 Ca 0.18 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2jn6 h ALA 65 Cb 0.23 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2jn6 h ALA 65 CO -0.01 0.22 0.03 1.49 0.00 0.00 0.00 179.25 180.98 2jn6 h GLU 66 N 0.00 1.06 0.01 0.00 4.57 -1.25 0.28 114.58 119.25 2jn6 h GLU 66 Ca -0.00 -0.32 -0.21 0.00 -1.18 0.00 0.00 59.36 57.65 2jn6 h GLU 66 Cb 0.50 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 2jn6 h GLU 66 CO 0.02 1.02 -0.98 1.96 -1.18 0.00 0.00 179.01 179.85 2jn6 h GLN 67 N 0.98 0.02 -0.53 1.92 7.50 -1.48 -3.04 115.11 120.49 2jn6 h GLN 67 Ca 0.18 -0.04 -0.07 0.00 0.50 0.00 0.00 58.65 59.22 2jn6 h GLN 67 Cb 0.52 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 28.04 2jn6 h GLN 67 CO 0.03 0.98 0.04 0.82 -1.50 0.00 0.00 178.83 179.20 2jn6 h ILE 68 N 0.01 1.24 -0.07 2.54 1.08 -0.80 0.74 117.51 122.26 2jn6 h ILE 68 Ca -0.02 -0.98 -0.16 0.00 -0.39 0.00 0.00 64.86 63.32 2jn6 h ILE 68 Cb 1.72 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 36.25 2jn6 h ILE 68 CO 0.13 0.35 -0.64 0.08 -0.69 0.00 0.00 178.15 177.38 2jn6 h ARG 69 N 0.81 0.27 0.00 2.37 0.11 -1.02 -2.96 114.38 113.96 2jn6 h ARG 69 Ca 0.16 -0.20 -0.00 0.00 0.10 0.00 0.00 59.98 60.05 2jn6 h ARG 69 Cb 0.42 0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.54 2jn6 h ARG 69 CO 0.01 0.82 -0.00 0.37 0.10 0.00 0.00 179.97 181.27 2jn6 h GLN 70 N 0.19 -0.00 -0.94 0.08 -0.00 -1.32 -2.99 115.11 110.13 2jn6 h GLN 70 Ca -0.01 0.00 0.13 0.00 -0.00 0.00 0.00 58.65 58.77 2jn6 h GLN 70 Cb 1.17 0.00 -0.08 0.00 0.00 0.00 0.00 27.48 28.57 2jn6 h GLN 70 CO 0.10 0.70 0.60 1.25 0.00 0.00 0.00 178.83 181.48 2jn6 h LEU 71 N -0.71 0.80 -0.41 -2.39 6.46 0.45 0.64 115.31 120.15 2jn6 h LEU 71 Ca -0.00 0.04 -0.15 0.00 -0.12 0.00 0.00 57.88 57.65 2jn6 h LEU 71 Cb 0.70 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.49 2jn6 h LEU 71 CO 0.00 0.42 -0.70 0.11 -0.62 0.00 0.00 178.44 177.65 2jn6 h LYS 72 N 0.86 0.00 0.00 1.25 1.57 -1.61 -3.48 116.57 115.16 2jn6 h LYS 72 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 2jn6 h LYS 72 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2jn6 h LYS 72 CO -0.23 0.70 0.00 1.63 -0.57 0.00 0.00 179.45 180.98 2jn6 n LYS 73 N -3.52 0.00 -3.56 3.15 4.01 0.21 -4.61 118.16 113.84 2jn6 n LYS 73 Ca -0.00 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.68 2jn6 n LYS 73 Cb 0.73 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 35.20 2jn6 n LYS 73 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 2jn6 s GLU 74 N 0.00 0.70 0.06 1.97 4.04 -1.26 -4.89 118.70 119.32 2jn6 s GLU 74 Ca 0.00 0.16 0.00 0.00 0.04 0.00 0.00 54.97 55.18 2jn6 s GLU 74 Cb 0.00 0.33 -0.04 0.00 0.02 0.00 0.00 34.13 34.44 2jn6 s GLU 74 CO 0.00 -0.22 0.18 -0.80 -1.84 0.00 0.00 175.26 172.58 2jn6 s ASN 75 N -1.15 6.17 0.47 0.83 0.02 -1.26 -4.99 114.94 115.02 2jn6 s ASN 75 Ca -0.04 0.21 0.20 0.00 -1.02 0.00 0.00 52.86 52.22 2jn6 s ASN 75 Cb -0.00 -1.86 1.16 0.00 0.02 0.00 0.00 41.25 40.57 2jn6 s ASN 75 CO 0.03 0.18 2.00 0.00 0.02 0.00 0.00 177.10 179.33 2jn6 h ALA 76 N 3.19 1.46 -0.14 0.60 0.00 -2.00 -0.78 119.26 121.59 2jn6 h ALA 76 Ca -0.46 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 2jn6 h ALA 76 Cb 1.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2jn6 h ALA 76 CO 0.73 0.23 -0.32 -0.07 0.00 0.00 0.00 179.25 179.83 2jn6 h LEU 77 N 0.00 0.29 -0.40 0.00 3.38 -2.01 -2.43 115.31 114.14 2jn6 h LEU 77 Ca -0.00 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 2jn6 h LEU 77 Cb 0.38 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2jn6 h LEU 77 CO 0.02 0.60 -0.45 -0.61 0.09 0.00 0.00 178.44 178.09 2jn6 h GLN 78 N 0.25 0.00 0.00 1.13 4.15 -1.56 -3.07 115.11 116.01 2jn6 h GLN 78 Ca 0.03 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.40 2jn6 h GLN 78 Cb 0.69 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 2jn6 h GLN 78 CO 0.05 0.45 -0.25 -0.09 -1.93 0.00 0.00 178.83 177.06 2jn6 h ARG 79 N 0.00 0.00 0.00 1.69 9.65 -0.91 -2.36 114.38 122.45 2jn6 h ARG 79 Ca -0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 2jn6 h ARG 79 Cb 1.18 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.76 2jn6 h ARG 79 CO 0.06 0.25 -0.07 0.00 2.80 0.00 0.00 179.97 183.00 2jn6 h ALA 80 N 1.75 1.05 0.00 2.80 0.00 -1.42 0.32 119.26 123.75 2jn6 h ALA 80 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2jn6 h ALA 80 Cb 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2jn6 h ALA 80 CO 0.03 0.09 0.00 0.54 0.00 0.00 0.00 179.25 179.91 2jn6 n ARG 81 N -3.24 0.10 0.00 0.00 5.12 -0.89 -4.32 116.66 113.43 2jn6 n ARG 81 Ca -0.00 0.09 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 2jn6 n ARG 81 Cb 0.30 -1.62 0.00 0.00 -1.16 0.00 0.00 32.46 29.98 2jn6 n ARG 81 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2jn6 n THR 82 N -1.79 0.00 -4.46 0.55 -1.04 0.07 -5.02 114.28 102.60 2jn6 n THR 82 Ca 0.06 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.80 2jn6 n THR 82 Cb 0.37 -0.58 -0.17 0.00 -1.82 0.00 0.00 70.33 68.13 2jn6 n THR 82 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2jn6 s ARG 83 N 0.00 2.02 -0.11 -2.82 1.81 -1.03 -4.98 118.95 113.83 2jn6 s ARG 83 Ca 0.00 -0.49 -0.08 0.00 -1.72 0.00 0.00 55.73 53.44 2jn6 s ARG 83 Cb 0.00 -1.73 0.03 0.00 -0.45 0.00 0.00 34.95 32.80 2jn6 s ARG 83 CO 0.00 -0.05 0.16 1.58 -0.68 0.00 0.00 175.30 176.31 2jn6 n HIS 84 N 4.15 -3.64 -0.48 -0.53 -0.00 -1.26 -4.72 115.22 108.73 2jn6 n HIS 84 Ca -0.19 2.13 0.00 0.00 0.46 0.00 0.00 57.72 60.12 2jn6 n HIS 84 Cb 0.51 -3.44 0.00 0.00 -0.12 0.00 0.00 29.99 26.94 2jn6 n HIS 84 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 2jn6 n PRO 85 N 1.38 0.51 -2.50 1.57 -0.02 -1.26 -4.75 135.00 129.93 2jn6 n PRO 85 Ca -0.27 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 60.81 2jn6 n PRO 85 Cb 0.42 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.87 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 -3.99 2.67 0.30 3.55 0.00 -1.26 -4.79 121.76 118.23 2jn6 s ALA 86 Ca 0.00 -2.27 0.14 0.00 0.00 0.00 0.00 51.96 49.83 2jn6 s ALA 86 Cb 0.00 -4.55 0.61 0.00 0.00 0.00 0.00 23.12 19.18 2jn6 s ALA 86 CO 0.00 -3.72 1.74 1.49 0.00 0.00 0.00 175.76 175.27 2jn6 h GLU 87 N 9.66 0.00 0.00 0.00 4.81 -2.00 -2.71 114.58 124.34 2jn6 h GLU 87 Ca 0.22 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 2jn6 h GLU 87 Cb 0.99 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 2jn6 h GLU 87 CO 1.41 0.46 -0.21 1.03 -0.73 0.00 0.00 179.01 180.96 2jn6 h SER 88 N 0.00 0.00 1.18 1.04 0.87 -2.00 -0.63 113.55 114.02 2jn6 h SER 88 Ca -0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 2jn6 h SER 88 Cb 0.85 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 2jn6 h SER 88 CO 0.06 0.21 -0.36 0.00 -0.53 0.00 0.00 176.83 176.21 2jn6 h LEU 90 N 0.00 0.57 -1.55 0.00 3.38 -1.15 -2.71 115.31 113.84 2jn6 h LEU 90 Ca -0.00 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.58 2jn6 h LEU 90 Cb 1.05 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 2jn6 h LEU 90 CO 0.05 1.20 0.35 -0.33 0.09 0.00 0.00 178.44 179.80 2jn6 h GLU 91 N 0.28 0.56 -4.81 1.13 5.08 -1.09 -3.46 114.58 112.28 2jn6 h GLU 91 Ca -0.06 -0.03 -0.29 0.00 -1.00 0.00 0.00 59.36 57.98 2jn6 h GLU 91 Cb 1.48 -0.13 0.12 0.00 0.50 0.00 0.00 28.75 30.72 2jn6 h GLU 91 CO 0.15 0.37 -0.56 1.58 -1.00 0.00 0.00 179.01 179.55 2jn6 n HIS 92 N -4.47 -2.00 -1.56 4.33 -0.00 -0.92 -4.88 115.22 105.70 2jn6 n HIS 92 Ca 0.06 0.77 -0.50 0.00 -0.00 0.00 0.00 57.72 58.05 2jn6 n HIS 92 Cb 0.15 -4.27 -0.06 0.00 -0.00 0.00 0.00 29.99 25.82 2jn6 n HIS 92 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jn6 n HIS 93 N -3.99 1.92 -0.06 1.57 -0.00 -1.09 -4.87 115.22 108.69 2jn6 n HIS 93 Ca -0.10 0.17 -0.20 0.00 0.46 0.00 0.00 57.72 58.05 2jn6 n HIS 93 Cb 0.59 -2.59 -0.13 0.00 -0.12 0.00 0.00 29.99 27.74 2jn6 n HIS 93 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2jn6 h HIS 94 N 11.26 0.13 -2.96 1.57 2.76 -1.93 -3.46 115.15 122.52 2jn6 h HIS 94 Ca -0.37 -0.10 -0.56 0.00 -2.20 0.00 0.00 60.37 57.14 2jn6 h HIS 94 Cb 1.30 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 30.22 2jn6 h HIS 94 CO 0.91 1.38 0.83 -1.58 -1.30 0.00 0.00 177.93 178.17 2jn6 s HIS 95 N -2.36 2.94 -0.02 5.26 5.65 -1.26 -5.00 115.29 120.50 2jn6 s HIS 95 Ca -0.24 1.04 -0.08 0.00 0.25 0.00 0.00 55.06 56.03 2jn6 s HIS 95 Cb 0.03 -3.50 0.01 0.00 -1.18 0.00 0.00 32.58 27.94 2jn6 s HIS 95 CO 0.67 -1.69 0.17 -1.01 -0.65 0.00 0.00 174.74 172.23 2jn6 s HIS 96 N 2.95 -0.05 0.00 3.88 3.76 -1.26 -5.17 115.29 119.40 2jn6 s HIS 96 Ca 0.56 0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.55 2jn6 s HIS 96 Cb -0.24 -0.00 0.00 0.00 1.11 0.00 0.00 32.58 33.45 2jn6 s HIS 96 CO 0.19 -0.26 0.00 1.58 -0.85 0.00 0.00 174.74 175.40