#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 4.18 0.25 2.12 0.02 -1.26 -5.05 135.00 135.26 2jn6 s PRO 2 Ca 0.00 1.86 -0.15 0.00 0.02 0.00 0.00 61.00 62.73 2jn6 s PRO 2 Cb 0.00 -2.79 0.00 0.00 0.02 0.00 0.00 34.50 31.74 2jn6 s PRO 2 CO 0.00 -0.21 0.53 -0.08 -0.33 0.00 0.00 177.00 176.91 2jn6 s THR 3 N -1.36 0.00 -0.25 0.99 -1.32 -1.26 -5.15 115.64 107.29 2jn6 s THR 3 Ca 0.54 -1.25 -0.03 0.00 -1.21 0.00 0.00 61.69 59.74 2jn6 s THR 3 Cb -0.31 -2.08 0.14 0.00 -1.51 0.00 0.00 72.50 68.73 2jn6 s THR 3 CO 0.40 -0.02 0.40 -0.75 -2.21 0.00 0.00 174.62 172.44 2jn6 s LYS 4 N -3.98 0.37 0.00 7.08 2.47 -1.26 -5.14 119.74 119.28 2jn6 s LYS 4 Ca 0.18 0.61 0.00 0.00 -1.56 0.00 0.00 55.97 55.21 2jn6 s LYS 4 Cb -0.02 -0.32 0.00 0.00 -1.46 0.00 0.00 37.83 36.03 2jn6 s LYS 4 CO 0.07 -0.62 0.00 -2.37 0.16 0.00 0.00 175.35 172.60 2jn6 n THR 5 N 5.37 0.00 -0.92 3.43 5.66 -1.26 -5.06 114.28 121.51 2jn6 n THR 5 Ca -0.04 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.63 2jn6 n THR 5 Cb 0.50 0.00 0.11 0.00 -1.55 0.00 0.00 70.33 69.39 2jn6 n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jn6 n TYR 6 N 0.00 -1.13 -4.19 1.09 0.18 -1.26 -5.03 117.16 106.82 2jn6 n TYR 6 Ca 0.00 0.27 -0.23 0.00 1.88 0.00 0.00 57.90 59.82 2jn6 n TYR 6 Cb 0.00 -1.83 -0.06 0.00 -0.38 0.00 0.00 39.34 37.06 2jn6 n TYR 6 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 2jn6 s SER 7 N -1.90 4.77 0.31 9.48 0.01 -1.26 -5.01 113.70 120.10 2jn6 s SER 7 Ca 0.60 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 57.26 2jn6 s SER 7 Cb -0.25 -0.90 0.52 0.00 0.21 0.00 0.00 66.02 65.60 2jn6 s SER 7 CO 0.64 -0.11 1.87 -0.33 0.41 0.00 0.00 173.24 175.71 2jn6 h GLU 8 N 1.69 0.69 -0.88 12.44 5.08 -1.99 -1.89 114.58 129.71 2jn6 h GLU 8 Ca -0.45 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 57.81 2jn6 h GLU 8 Cb 1.25 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.34 2jn6 h GLU 8 CO 0.61 0.64 0.58 1.49 -1.00 0.00 0.00 179.01 181.33 2jn6 h GLU 9 N 0.66 1.08 -0.11 2.33 4.81 -1.98 -0.18 114.58 121.19 2jn6 h GLU 9 Ca 0.15 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2jn6 h GLU 9 Cb 0.27 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 2jn6 h GLU 9 CO -0.00 0.71 -0.03 0.35 -0.73 0.00 0.00 179.01 179.31 2jn6 h PHE 10 N 1.11 0.24 -0.18 0.92 3.57 -1.76 0.21 116.94 121.05 2jn6 h PHE 10 Ca 0.34 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 2jn6 h PHE 10 Cb -0.00 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 2jn6 h PHE 10 CO -0.00 0.52 -0.02 0.87 -2.23 0.00 0.00 178.31 177.45 2jn6 h LYS 11 N -0.12 0.26 -0.25 1.11 1.57 -1.21 -0.08 116.57 117.85 2jn6 h LYS 11 Ca 0.03 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 2jn6 h LYS 11 Cb 0.45 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 2jn6 h LYS 11 CO 0.01 0.31 -0.43 -0.09 -0.57 0.00 0.00 179.45 178.67 2jn6 h ARG 12 N 0.26 0.74 -0.51 3.15 2.43 -0.74 -3.05 114.38 116.66 2jn6 h ARG 12 Ca 0.06 -0.46 -0.06 0.00 -0.81 0.00 0.00 59.98 58.71 2jn6 h ARG 12 Cb 0.21 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2jn6 h ARG 12 CO 0.01 1.08 0.06 0.22 -1.51 0.00 0.00 179.97 179.83 2jn6 h ASP 13 N 0.48 0.78 -0.68 -3.80 3.58 0.09 -2.21 116.42 114.66 2jn6 h ASP 13 Ca 0.02 -0.16 0.03 0.00 0.42 0.00 0.00 57.03 57.33 2jn6 h ASP 13 Cb 1.03 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.84 2jn6 h ASP 13 CO 0.10 0.81 0.45 0.00 -2.88 0.00 0.00 179.24 177.71 2jn6 h ALA 14 N 1.29 1.60 -0.44 -0.78 0.00 -0.99 0.14 119.26 120.08 2jn6 h ALA 14 Ca 0.16 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2jn6 h ALA 14 Cb 0.38 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2jn6 h ALA 14 CO 0.01 0.34 -0.00 0.28 0.00 0.00 0.00 179.25 179.88 2jn6 h VAL 15 N 0.83 1.26 -0.36 0.00 2.07 -1.30 -1.19 116.25 117.57 2jn6 h VAL 15 Ca 0.27 -1.04 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 2jn6 h VAL 15 Cb 0.03 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2jn6 h VAL 15 CO -0.07 0.36 -0.08 0.00 0.02 0.00 0.00 177.57 177.79 2jn6 h ALA 16 N 0.90 1.19 -0.38 1.67 0.00 -0.94 -0.72 119.26 121.00 2jn6 h ALA 16 Ca 0.12 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2jn6 h ALA 16 Cb 0.49 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2jn6 h ALA 16 CO 0.02 0.52 0.02 1.25 0.00 0.00 0.00 179.25 181.06 2jn6 h LEU 17 N 0.56 0.63 -0.46 0.00 5.85 -0.59 -3.07 115.31 118.23 2jn6 h LEU 17 Ca 0.11 -0.29 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 2jn6 h LEU 17 Cb 0.48 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2jn6 h LEU 17 CO 0.03 0.77 0.06 0.22 -0.34 0.00 0.00 178.44 179.17 2jn6 h TYR 18 N 0.48 0.83 0.00 1.25 3.20 -0.80 -2.78 116.97 119.15 2jn6 h TYR 18 Ca 0.11 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2jn6 h TYR 18 Cb 0.43 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.48 2jn6 h TYR 18 CO 0.03 0.79 0.00 1.05 -1.64 0.00 0.00 178.16 178.39 2jn6 h GLU 19 N 0.64 0.00 -1.70 1.82 4.11 -1.13 -1.32 114.58 117.00 2jn6 h GLU 19 Ca 0.14 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.49 2jn6 h GLU 19 Cb 0.42 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 2jn6 h GLU 19 CO 0.01 0.00 0.10 0.09 0.07 0.00 0.00 179.01 179.28 2jn6 n ASN 20 N -2.72 5.12 0.10 3.06 5.03 -1.05 -4.47 115.26 120.33 2jn6 n ASN 20 Ca -0.01 -2.50 0.09 0.00 0.87 0.00 0.00 54.58 53.04 2jn6 n ASN 20 Cb 0.16 -1.00 0.43 0.00 -1.02 0.00 0.00 39.78 38.35 2jn6 n ASN 20 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2jn6 n SER 21 N 1.03 0.45 0.02 6.41 3.41 -0.50 -1.68 113.62 122.75 2jn6 n SER 21 Ca 0.07 0.65 0.22 0.00 -0.26 0.00 0.00 58.87 59.56 2jn6 n SER 21 Cb 0.54 -0.73 0.73 0.00 -0.26 0.00 0.00 64.21 64.49 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 0.00 -0.54 4.04 3.58 -1.87 -2.23 116.42 119.40 2jn6 h ASP 22 Ca 0.00 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.17 2jn6 h ASP 22 Cb 0.18 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 40.83 2jn6 h ASP 22 CO 0.00 0.00 -1.11 0.61 -2.88 0.00 0.00 179.24 175.86 2jn6 n GLY 23 N -1.56 2.06 3.63 -0.78 0.00 -0.68 -5.08 105.19 102.79 2jn6 n GLY 23 Ca 0.10 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.70 -1.85 0.16 4.61 0.00 -0.84 -5.10 121.76 115.04 2jn6 s ALA 24 Ca 0.29 2.04 -0.02 0.00 0.00 0.00 0.00 51.96 54.27 2jn6 s ALA 24 Cb 0.35 -1.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.13 2jn6 s ALA 24 CO -0.03 -0.32 0.35 0.45 0.00 0.00 0.00 175.76 176.22 2jn6 s SER 25 N 0.52 6.41 0.06 0.00 0.15 -1.26 -4.40 113.70 115.17 2jn6 s SER 25 Ca -0.01 0.43 -0.25 0.00 0.70 0.00 0.00 55.95 56.82 2jn6 s SER 25 Cb -0.05 -2.02 -0.17 0.00 -1.71 0.00 0.00 66.02 62.07 2jn6 s SER 25 CO -0.04 0.02 1.59 0.25 1.20 0.00 0.00 173.24 176.27 2jn6 h LEU 26 N 2.44 -0.17 -1.04 3.45 6.46 -1.96 -1.46 115.31 123.03 2jn6 h LEU 26 Ca -0.47 -0.09 0.04 0.00 -0.12 0.00 0.00 57.88 57.24 2jn6 h LEU 26 Cb 1.18 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 41.09 2jn6 h LEU 26 CO 0.71 -0.02 0.64 -0.61 -0.62 0.00 0.00 178.44 178.55 2jn6 h GLN 27 N -0.31 1.20 -0.75 1.25 5.75 -1.98 -2.42 115.11 117.86 2jn6 h GLN 27 Ca -0.02 -0.07 0.04 0.00 -0.15 0.00 0.00 58.65 58.44 2jn6 h GLN 27 Cb 0.25 -0.27 -0.05 0.00 1.07 0.00 0.00 27.48 28.48 2jn6 h GLN 27 CO 0.03 0.79 0.47 0.37 -2.65 0.00 0.00 178.83 177.84 2jn6 h GLN 28 N 1.23 0.87 0.26 1.69 4.15 -1.85 0.19 115.11 121.65 2jn6 h GLN 28 Ca 0.39 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.75 2jn6 h GLN 28 Cb 0.02 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.51 2jn6 h GLN 28 CO -0.12 0.58 -0.13 0.82 -1.93 0.00 0.00 178.83 178.05 2jn6 h ILE 29 N 0.90 0.79 -0.88 2.39 1.08 -0.81 -0.19 117.51 120.79 2jn6 h ILE 29 Ca 0.30 -0.43 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 2jn6 h ILE 29 Cb 0.05 1.04 -0.04 0.00 -3.07 0.00 0.00 36.82 34.79 2jn6 h ILE 29 CO -0.12 0.09 0.55 0.00 -0.69 0.00 0.00 178.15 177.98 2jn6 h ALA 30 N 0.09 1.12 -0.22 1.87 0.00 -1.23 -1.37 119.26 119.53 2jn6 h ALA 30 Ca -0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2jn6 h ALA 30 Cb 0.42 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2jn6 h ALA 30 CO 0.06 0.57 0.07 -0.97 0.00 0.00 0.00 179.25 178.98 2jn6 h ASN 31 N 1.21 0.32 -0.64 0.00 -0.73 -0.58 -0.73 115.58 114.43 2jn6 h ASN 31 Ca 0.32 -0.20 -0.09 0.00 1.87 0.00 0.00 56.30 58.21 2jn6 h ASN 31 Cb -0.07 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.41 2jn6 h ASN 31 CO -0.06 0.43 0.06 -0.78 -0.37 0.00 0.00 177.43 176.71 2jn6 h ASP 32 N 0.19 1.05 0.19 1.15 3.58 -0.66 -2.54 116.42 119.38 2jn6 h ASP 32 Ca 0.07 -0.27 -0.15 0.00 0.42 0.00 0.00 57.03 57.10 2jn6 h ASP 32 Cb 0.22 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 2jn6 h ASP 32 CO -0.00 1.07 -0.56 -0.07 -2.88 0.00 0.00 179.24 176.79 2jn6 h LEU 33 N 1.01 0.44 -0.09 2.28 4.07 -1.23 -3.48 115.31 118.31 2jn6 h LEU 33 Ca 0.19 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.91 2jn6 h LEU 33 Cb 0.49 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.11 2jn6 h LEU 33 CO 0.02 0.91 0.00 0.61 -1.08 0.00 0.00 178.44 178.90 2jn6 n GLY 34 N 0.22 1.35 3.53 0.83 0.00 -0.40 -5.11 105.19 105.61 2jn6 n GLY 34 Ca -0.03 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.09 0.86 0.34 -0.61 -4.36 -0.48 -5.04 121.20 109.82 2jn6 s ILE 35 Ca 0.00 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.13 2jn6 s ILE 35 Cb 0.00 -2.45 -0.10 0.00 1.25 0.00 0.00 42.46 41.16 2jn6 s ILE 35 CO 0.00 0.00 0.99 0.21 0.24 0.00 0.00 174.94 176.38 2jn6 s ASN 36 N -3.61 7.14 0.37 4.36 3.84 -1.26 -4.40 114.94 121.38 2jn6 s ASN 36 Ca 0.25 1.95 0.04 0.00 0.21 0.00 0.00 52.86 55.31 2jn6 s ASN 36 Cb 0.04 -2.59 0.71 0.00 -0.55 0.00 0.00 41.25 38.87 2jn6 s ASN 36 CO 0.13 -0.22 2.03 -0.09 -2.79 0.00 0.00 177.10 176.16 2jn6 h ARG 37 N 3.02 0.73 -0.20 0.43 2.43 -1.95 -0.62 114.38 118.21 2jn6 h ARG 37 Ca -0.47 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 58.52 2jn6 h ARG 37 Cb 1.20 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 2jn6 h ARG 37 CO 0.64 0.49 -0.38 0.28 -1.51 0.00 0.00 179.97 179.49 2jn6 h VAL 38 N 0.75 1.33 -0.90 0.20 2.07 -1.99 -1.13 116.25 116.59 2jn6 h VAL 38 Ca 0.20 -1.60 0.04 0.00 0.82 0.00 0.00 66.70 66.16 2jn6 h VAL 38 Cb -0.08 1.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 2jn6 h VAL 38 CO -0.04 0.50 0.58 0.74 0.02 0.00 0.00 177.57 179.36 2jn6 h THR 39 N 0.29 1.14 -0.12 2.57 2.02 -1.78 0.78 112.91 117.81 2jn6 h THR 39 Ca 0.01 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 2jn6 h THR 39 Cb 0.97 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2jn6 h THR 39 CO 0.08 0.20 0.05 0.25 0.37 0.00 0.00 175.52 176.48 2jn6 h LEU 40 N 1.12 0.16 -0.82 2.58 5.85 -1.06 -2.79 115.31 120.35 2jn6 h LEU 40 Ca 0.36 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.99 2jn6 h LEU 40 Cb 0.03 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 2jn6 h LEU 40 CO -0.13 0.27 0.50 0.50 -0.34 0.00 0.00 178.44 179.25 2jn6 h LYS 41 N 0.03 0.88 -0.55 1.25 3.64 -0.52 -0.74 116.57 120.57 2jn6 h LYS 41 Ca 0.04 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 2jn6 h LYS 41 Cb 0.16 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 31.72 2jn6 h LYS 41 CO -0.00 0.58 0.22 -0.91 -2.27 0.00 0.00 179.45 177.07 2jn6 h ASN 42 N 0.91 0.24 -0.34 4.20 4.21 -0.74 -0.73 115.58 123.33 2jn6 h ASN 42 Ca 0.36 0.06 -0.04 0.00 1.21 0.00 0.00 56.30 57.90 2jn6 h ASN 42 Cb 0.19 0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.40 2jn6 h ASN 42 CO -0.18 0.16 0.07 -0.50 -1.29 0.00 0.00 177.43 175.70 2jn6 h TRP 43 N 0.41 0.58 -0.34 1.19 6.55 -1.02 -1.44 115.95 121.88 2jn6 h TRP 43 Ca 0.26 -0.07 0.05 0.00 0.95 0.00 0.00 58.89 60.08 2jn6 h TRP 43 Cb 0.27 -0.16 -0.05 0.00 -0.86 0.00 0.00 29.16 28.36 2jn6 h TRP 43 CO -0.15 0.60 0.05 0.82 -1.05 0.00 0.00 178.44 178.70 2jn6 h ILE 44 N 0.40 0.81 -0.08 1.49 2.04 -0.57 0.20 117.51 121.79 2jn6 h ILE 44 Ca 0.11 -0.05 -0.14 0.00 1.00 0.00 0.00 64.86 65.77 2jn6 h ILE 44 Cb 0.32 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2jn6 h ILE 44 CO 0.00 0.03 -0.59 0.40 0.00 0.00 0.00 178.15 177.99 2jn6 h ILE 45 N 0.16 1.38 0.02 -0.67 2.04 -1.12 -0.33 117.51 118.99 2jn6 h ILE 45 Ca 0.16 -1.94 -0.00 0.00 1.00 0.00 0.00 64.86 64.08 2jn6 h ILE 45 Cb 0.19 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 2jn6 h ILE 45 CO -0.23 0.57 -0.01 0.50 0.00 0.00 0.00 178.15 178.98 2jn6 h LYS 46 N 0.19 -0.03 0.00 2.37 3.64 -0.65 -3.32 116.57 118.77 2jn6 h LYS 46 Ca -0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2jn6 h LYS 46 Cb 1.09 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 2jn6 h LYS 46 CO 0.09 0.67 -1.41 0.66 -2.27 0.00 0.00 179.45 177.19 2jn6 n TYR 47 N -4.71 0.72 -1.89 1.91 4.01 0.63 -4.16 117.16 113.67 2jn6 n TYR 47 Ca -0.08 0.22 -0.35 0.00 -0.16 0.00 0.00 57.90 57.54 2jn6 n TYR 47 Cb 0.35 -0.91 0.04 0.00 -0.31 0.00 0.00 39.34 38.51 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 1.30 5.78 0.31 2.72 0.00 -0.13 -4.73 105.19 110.43 2jn6 n GLY 48 Ca -0.06 -2.51 -0.00 0.00 0.00 0.00 0.00 46.02 43.45 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 2.60 0.68 -3.63 1.61 4.64 -1.72 -3.40 113.55 114.35 2jn6 h SER 49 Ca 0.51 -0.08 -0.65 0.00 -0.47 0.00 0.00 61.79 61.10 2jn6 h SER 49 Cb 0.52 -0.18 -0.16 0.00 -0.31 0.00 0.00 62.40 62.28 2jn6 h SER 49 CO 1.31 0.61 -0.14 0.20 -0.87 0.00 0.00 176.83 177.94 2jn6 s ASN 50 N -6.57 6.27 0.00 4.97 -0.87 -1.26 -4.65 114.94 112.83 2jn6 s ASN 50 Ca -0.09 -0.09 0.00 0.00 -1.57 0.00 0.00 52.86 51.11 2jn6 s ASN 50 Cb 0.16 -2.24 0.00 0.00 -0.02 0.00 0.00 41.25 39.15 2jn6 s ASN 50 CO 0.78 -0.42 0.00 1.41 -2.57 0.00 0.00 177.10 176.29 2jn6 n HIS 51 N 5.60 0.00 -2.87 2.20 8.25 -1.26 -5.02 115.22 122.12 2jn6 n HIS 51 Ca -0.06 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.31 2jn6 n HIS 51 Cb 0.49 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.60 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 -1.19 -2.83 -0.07 0.41 5.15 -1.26 -5.04 115.26 110.43 2jn6 n ASN 52 Ca 0.00 -2.87 -0.09 0.00 -0.60 0.00 0.00 54.58 51.02 2jn6 n ASN 52 Cb 0.00 1.34 -0.07 0.00 -0.53 0.00 0.00 39.78 40.52 2jn6 n ASN 52 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 2jn6 h VAL 53 N 4.63 0.84 -3.20 3.44 -1.51 -1.95 -3.46 116.25 115.04 2jn6 h VAL 53 Ca 0.07 -1.69 -0.58 0.00 -1.23 0.00 0.00 66.70 63.27 2jn6 h VAL 53 Cb 1.06 1.65 -0.36 0.00 -2.13 0.00 0.00 31.29 31.52 2jn6 h VAL 53 CO 0.12 0.28 -0.83 -1.10 -1.23 0.00 0.00 177.57 174.81 2jn6 s GLN 54 N -2.00 2.07 -0.06 5.19 -1.52 -1.26 -4.95 119.66 117.13 2jn6 s GLN 54 Ca -0.13 -0.48 0.17 0.00 -1.95 0.00 0.00 55.36 52.96 2jn6 s GLN 54 Cb -0.00 -1.88 0.33 0.00 -0.22 0.00 0.00 33.01 31.23 2jn6 s GLN 54 CO 0.38 -0.17 1.14 0.41 -0.25 0.00 0.00 175.29 176.80 2jn6 n GLY 55 N 4.57 2.16 2.92 3.09 0.00 -1.26 -5.05 105.19 111.61 2jn6 n GLY 55 Ca -0.17 -0.80 -0.01 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.13 -6.96 -2.80 2.61 -2.24 -1.26 -4.92 114.28 98.58 2jn6 n THR 56 Ca 0.09 1.24 -0.42 0.00 -2.27 0.00 0.00 64.05 62.69 2jn6 n THR 56 Cb 0.91 -4.81 -0.03 0.00 -2.10 0.00 0.00 70.33 64.30 2jn6 n THR 56 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2jn6 s THR 57 N -1.00 4.73 0.37 4.28 2.01 -1.26 -4.93 115.64 119.84 2jn6 s THR 57 Ca -0.05 1.64 0.06 0.00 0.31 0.00 0.00 61.69 63.66 2jn6 s THR 57 Cb 0.00 -4.23 0.29 0.00 0.01 0.00 0.00 72.50 68.58 2jn6 s THR 57 CO 0.39 -0.21 1.98 -0.65 -0.69 0.00 0.00 174.62 175.44 2jn6 h PRO 58 N 7.78 0.69 0.00 4.92 0.11 -2.00 -0.62 132.00 142.88 2jn6 h PRO 58 Ca -0.22 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.77 2jn6 h PRO 58 Cb 1.08 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 2jn6 h PRO 58 CO 0.93 0.46 -0.40 1.03 -0.21 0.00 0.00 178.00 179.81 2jn6 h SER 59 N 0.71 0.00 1.57 -2.05 0.87 -2.03 -3.00 113.55 109.62 2jn6 h SER 59 Ca 0.28 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.75 2jn6 h SER 59 Cb 0.19 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 2jn6 h SER 59 CO -0.08 0.40 -0.43 0.00 -0.53 0.00 0.00 176.83 176.18 2jn6 h ALA 60 N 1.60 0.73 0.00 6.23 0.00 -1.53 -3.17 119.26 123.12 2jn6 h ALA 60 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2jn6 h ALA 60 Cb 0.84 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2jn6 h ALA 60 CO 0.05 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.81 2jn6 n ALA 61 N -2.20 2.14 0.08 0.00 0.00 -0.89 -2.30 120.51 117.33 2jn6 n ALA 61 Ca 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 2jn6 n ALA 61 Cb 0.70 -1.36 0.15 0.00 0.00 0.00 0.00 19.45 18.93 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 1.36 -0.42 0.00 2.07 -1.66 -1.89 116.25 115.70 2jn6 h VAL 62 Ca 0.00 -1.83 -0.03 0.00 0.82 0.00 0.00 66.70 65.66 2jn6 h VAL 62 Cb 0.23 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 2jn6 h VAL 62 CO 0.00 0.54 0.13 0.28 0.02 0.00 0.00 177.57 178.55 2jn6 h SER 63 N 0.20 0.56 0.43 0.57 0.02 -1.68 -1.54 113.55 112.11 2jn6 h SER 63 Ca 0.00 -0.07 -0.27 0.00 -0.84 0.00 0.00 61.79 60.62 2jn6 h SER 63 Cb 1.01 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 63.42 2jn6 h SER 63 CO 0.08 0.54 -1.16 -0.08 -1.14 0.00 0.00 176.83 175.07 2jn6 h GLU 64 N 0.60 0.39 -0.42 3.45 4.57 -1.65 -3.27 114.58 118.26 2jn6 h GLU 64 Ca 0.14 -0.55 -0.04 0.00 -1.18 0.00 0.00 59.36 57.74 2jn6 h GLU 64 Cb 0.18 0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 2jn6 h GLU 64 CO -0.01 1.22 0.08 0.00 -1.18 0.00 0.00 179.01 179.13 2jn6 h ALA 65 N 0.56 1.37 -0.02 2.92 0.00 -0.80 0.15 119.26 123.45 2jn6 h ALA 65 Ca -0.13 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2jn6 h ALA 65 Cb 1.84 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2jn6 h ALA 65 CO 0.20 0.45 -0.04 1.49 0.00 0.00 0.00 179.25 181.35 2jn6 h GLU 66 N 0.61 -0.07 -0.39 0.00 4.81 -1.35 -0.04 114.58 118.15 2jn6 h GLU 66 Ca 0.14 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.27 2jn6 h GLU 66 Cb 0.26 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2jn6 h GLU 66 CO -0.00 -0.04 -0.16 1.96 -0.73 0.00 0.00 179.01 180.04 2jn6 h GLN 67 N -0.07 0.72 -0.22 1.92 7.50 -1.48 -2.26 115.11 121.23 2jn6 h GLN 67 Ca 0.03 -0.26 0.02 0.00 0.50 0.00 0.00 58.65 58.94 2jn6 h GLN 67 Cb 0.10 -0.05 -0.02 0.00 0.05 0.00 0.00 27.48 27.56 2jn6 h GLN 67 CO -0.06 0.84 0.07 0.82 -1.50 0.00 0.00 178.83 179.01 2jn6 h ILE 68 N 0.65 0.95 -0.34 2.54 1.08 -0.35 0.23 117.51 122.27 2jn6 h ILE 68 Ca 0.10 -0.06 0.02 0.00 -0.39 0.00 0.00 64.86 64.54 2jn6 h ILE 68 Cb 0.63 0.76 -0.03 0.00 -3.07 0.00 0.00 36.82 35.11 2jn6 h ILE 68 CO 0.04 0.03 0.17 0.03 -0.69 0.00 0.00 178.15 177.73 2jn6 h ARG 69 N 0.18 0.34 -0.54 2.37 3.08 -0.85 -0.78 114.38 118.17 2jn6 h ARG 69 Ca 0.09 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 2jn6 h ARG 69 Cb 0.06 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2jn6 h ARG 69 CO -0.09 0.22 0.18 0.37 -1.07 0.00 0.00 179.97 179.58 2jn6 h GLN 70 N 0.35 0.83 -0.14 0.04 -0.00 -0.98 0.41 115.11 115.61 2jn6 h GLN 70 Ca 0.14 -0.17 -0.06 0.00 -0.00 0.00 0.00 58.65 58.56 2jn6 h GLN 70 Cb 0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 27.48 27.41 2jn6 h GLN 70 CO -0.10 0.75 -0.16 1.25 0.00 0.00 0.00 178.83 180.57 2jn6 h LEU 71 N 0.74 0.38 0.00 -2.39 7.12 -0.39 -2.57 115.31 118.21 2jn6 h LEU 71 Ca 0.18 -0.50 -0.17 0.00 0.13 0.00 0.00 57.88 57.52 2jn6 h LEU 71 Cb 0.25 -0.11 0.01 0.00 -0.53 0.00 0.00 40.66 40.29 2jn6 h LEU 71 CO -0.01 0.80 -0.68 0.50 -0.13 0.00 0.00 178.44 178.92 2jn6 h LYS 72 N -0.04 0.46 -0.72 1.25 3.64 -1.08 -3.30 116.57 116.78 2jn6 h LYS 72 Ca 0.02 -0.49 -0.25 0.00 -1.27 0.00 0.00 60.65 58.65 2jn6 h LYS 72 Cb 0.70 0.14 -0.15 0.00 -0.41 0.00 0.00 32.23 32.51 2jn6 h LYS 72 CO 0.04 1.14 0.29 1.63 -2.27 0.00 0.00 179.45 180.28 2jn6 n LYS 73 N -4.16 3.25 0.39 1.90 5.02 0.13 -4.51 118.16 120.17 2jn6 n LYS 73 Ca -0.11 -3.07 -0.17 0.00 -2.02 0.00 0.00 58.31 52.94 2jn6 n LYS 73 Cb 0.71 -2.15 -0.08 0.00 -0.02 0.00 0.00 35.03 33.49 2jn6 n LYS 73 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2jn6 h GLU 74 N 2.17 -0.97 0.00 1.97 4.57 -1.54 -3.48 114.58 117.31 2jn6 h GLU 74 Ca 0.31 0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.51 2jn6 h GLU 74 Cb 2.31 0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 31.11 2jn6 h GLU 74 CO 0.74 -0.63 -0.00 -1.71 -1.18 0.00 0.00 179.01 176.23 2jn6 n ASN 75 N -5.46 -0.37 0.03 1.04 2.85 -1.26 -5.04 115.26 107.04 2jn6 n ASN 75 Ca -0.13 -1.40 0.14 0.00 -0.11 0.00 0.00 54.58 53.08 2jn6 n ASN 75 Cb 0.41 0.66 0.52 0.00 1.24 0.00 0.00 39.78 42.61 2jn6 n ASN 75 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jn6 n ALA 76 N -2.48 2.44 -0.26 5.20 0.00 -1.26 -4.35 120.51 119.80 2jn6 n ALA 76 Ca -0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 53.44 53.27 2jn6 n ALA 76 Cb 0.13 -1.43 0.03 0.00 0.00 0.00 0.00 19.45 18.17 2jn6 n ALA 76 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2jn6 h LEU 77 N 0.00 -1.18 -0.06 0.00 3.38 -1.96 0.44 115.31 115.93 2jn6 h LEU 77 Ca 0.00 0.25 -0.25 0.00 0.09 0.00 0.00 57.88 57.97 2jn6 h LEU 77 Cb 0.56 0.61 0.01 0.00 0.09 0.00 0.00 40.66 41.94 2jn6 h LEU 77 CO 0.00 -0.30 -1.03 -0.61 0.09 0.00 0.00 178.44 176.60 2jn6 h GLN 78 N -0.10 0.57 0.00 1.13 5.75 -1.92 -3.23 115.11 117.31 2jn6 h GLN 78 Ca 0.28 -0.64 -0.04 0.00 -0.15 0.00 0.00 58.65 58.11 2jn6 h GLN 78 Cb 0.57 0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.30 2jn6 h GLN 78 CO -0.78 1.24 -0.17 -0.09 -2.65 0.00 0.00 178.83 176.39 2jn6 h ARG 79 N 0.32 0.00 -0.27 1.69 1.12 -1.39 -2.36 114.38 113.49 2jn6 h ARG 79 Ca -0.12 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.72 2jn6 h ARG 79 Cb 1.68 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.62 2jn6 h ARG 79 CO 0.19 0.17 0.03 0.00 -3.11 0.00 0.00 179.97 177.25 2jn6 h ALA 80 N 1.83 1.55 0.00 2.80 0.00 -0.22 -1.31 119.26 123.91 2jn6 h ALA 80 Ca -0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2jn6 h ALA 80 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2jn6 h ALA 80 CO 0.02 0.33 -0.50 0.00 0.00 0.00 0.00 179.25 179.11 2jn6 h ARG 81 N 0.39 0.00 0.00 0.00 3.08 -1.57 -3.08 114.38 113.19 2jn6 h ARG 81 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2jn6 h ARG 81 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2jn6 h ARG 81 CO 0.00 0.35 0.00 1.15 -1.07 0.00 0.00 179.97 180.40 2jn6 h THR 82 N 0.00 0.00 -3.17 2.04 2.02 -1.18 -3.43 112.91 109.19 2jn6 h THR 82 Ca -0.02 -0.41 -0.58 0.00 0.77 0.00 0.00 66.41 66.17 2jn6 h THR 82 Cb 1.30 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 68.95 2jn6 h THR 82 CO 0.05 0.00 -0.19 -0.60 0.37 0.00 0.00 175.52 175.14 2jn6 s ARG 83 N -3.33 3.84 -0.39 6.66 3.52 -0.95 -5.07 118.95 123.22 2jn6 s ARG 83 Ca 0.05 0.29 0.02 0.00 -0.13 0.00 0.00 55.73 55.96 2jn6 s ARG 83 Cb 0.10 -2.99 0.12 0.00 -1.56 0.00 0.00 34.95 30.61 2jn6 s ARG 83 CO 0.49 0.54 0.17 -1.58 -0.81 0.00 0.00 175.30 174.11 2jn6 s HIS 84 N -1.40 2.31 0.97 5.12 5.65 -1.26 -4.97 115.29 121.71 2jn6 s HIS 84 Ca 0.34 -2.39 -0.15 0.00 0.25 0.00 0.00 55.06 53.11 2jn6 s HIS 84 Cb -0.14 -2.10 0.22 0.00 -1.18 0.00 0.00 32.58 29.37 2jn6 s HIS 84 CO 0.18 -0.83 1.33 -1.25 -0.65 0.00 0.00 174.74 173.51 2jn6 s PRO 85 N 0.76 0.47 -0.30 2.88 0.04 -1.26 -5.12 135.00 132.47 2jn6 s PRO 85 Ca 0.14 -0.58 -0.13 0.00 0.04 0.00 0.00 61.00 60.47 2jn6 s PRO 85 Cb -0.22 -1.87 0.14 0.00 0.04 0.00 0.00 34.50 32.60 2jn6 s PRO 85 CO -0.09 -2.50 0.84 0.00 0.04 0.00 0.00 177.00 175.29 2jn6 s ALA 86 N -3.89 -2.36 -0.22 8.56 0.00 -1.26 -5.00 121.76 117.58 2jn6 s ALA 86 Ca 0.76 2.20 0.20 0.00 0.00 0.00 0.00 51.96 55.12 2jn6 s ALA 86 Cb -0.02 -1.88 0.32 0.00 0.00 0.00 0.00 23.12 21.53 2jn6 s ALA 86 CO 0.53 -0.86 1.57 1.05 0.00 0.00 0.00 175.76 178.06 2jn6 h GLU 87 N 7.54 0.00 -0.19 0.00 9.09 -2.01 -3.31 114.58 125.70 2jn6 h GLU 87 Ca -0.18 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.12 2jn6 h GLU 87 Cb 1.12 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.21 2jn6 h GLU 87 CO 0.10 0.26 -0.32 0.66 0.05 0.00 0.00 179.01 179.77 2jn6 h SER 88 N 0.00 0.39 1.25 3.06 4.64 -2.00 -2.44 113.55 118.45 2jn6 h SER 88 Ca -0.00 -0.14 -0.10 0.00 -0.47 0.00 0.00 61.79 61.08 2jn6 h SER 88 Cb 1.13 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 2jn6 h SER 88 CO 0.03 0.69 -0.46 0.00 -0.87 0.00 0.00 176.83 176.23 2jn6 h LEU 90 N 0.00 0.99 0.10 0.00 5.85 -1.58 -3.14 115.31 117.53 2jn6 h LEU 90 Ca -0.00 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.32 2jn6 h LEU 90 Cb 1.20 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2jn6 h LEU 90 CO 0.06 1.15 -0.05 -0.08 -0.34 0.00 0.00 178.44 179.19 2jn6 h GLU 91 N 0.82 -0.13 -2.63 1.25 4.22 -1.31 -3.46 114.58 113.34 2jn6 h GLU 91 Ca 0.11 0.01 -0.19 0.00 0.08 0.00 0.00 59.36 59.37 2jn6 h GLU 91 Cb 0.76 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.99 2jn6 h GLU 91 CO 0.06 0.28 -0.20 -2.39 -2.18 0.00 0.00 179.01 174.58 2jn6 n HIS 92 N -4.95 -0.98 -2.38 0.92 1.44 0.19 -3.82 115.22 105.64 2jn6 n HIS 92 Ca -0.09 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.60 2jn6 n HIS 92 Cb 0.24 -2.22 -0.02 0.00 0.12 0.00 0.00 29.99 28.12 2jn6 n HIS 92 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2jn6 n HIS 93 N -2.28 -3.26 0.19 -1.40 -0.00 -1.26 -4.93 115.22 102.28 2jn6 n HIS 93 Ca -0.10 1.68 0.08 0.00 -0.00 0.00 0.00 57.72 59.38 2jn6 n HIS 93 Cb 0.43 -3.40 0.20 0.00 -0.00 0.00 0.00 29.99 27.22 2jn6 n HIS 93 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2jn6 h HIS 94 N 2.72 0.00 -3.93 4.41 3.86 -1.98 -3.44 115.15 116.78 2jn6 h HIS 94 Ca -0.22 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 58.53 2jn6 h HIS 94 Cb 0.49 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.94 2jn6 h HIS 94 CO 0.00 0.23 0.24 -1.58 0.86 0.00 0.00 177.93 177.69 2jn6 s HIS 95 N -3.22 3.36 -0.06 2.45 5.04 -1.26 -4.72 115.29 116.88 2jn6 s HIS 95 Ca 0.04 1.41 -0.03 0.00 -1.54 0.00 0.00 55.06 54.95 2jn6 s HIS 95 Cb 0.07 -2.70 0.01 0.00 0.04 0.00 0.00 32.58 30.00 2jn6 s HIS 95 CO 0.68 -0.07 0.05 1.58 -2.34 0.00 0.00 174.74 174.65 2jn6 n HIS 96 N -0.70 -1.21 -0.46 3.88 -0.00 -1.26 -5.16 115.22 110.31 2jn6 n HIS 96 Ca 0.05 0.67 0.00 0.00 -0.00 0.00 0.00 57.72 58.44 2jn6 n HIS 96 Cb 0.54 -2.18 0.00 0.00 -0.00 0.00 0.00 29.99 28.35 2jn6 n HIS 96 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92