#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 0.00 -6.29 2.12 0.13 -2.09 -3.44 132.00 122.43 2jn6 h PRO 2 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 2jn6 h PRO 2 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2jn6 h PRO 2 CO 0.00 0.25 -0.29 -0.08 -0.23 0.00 0.00 178.00 177.65 2jn6 s THR 3 N -4.48 2.54 -0.50 1.56 -1.32 -1.26 -4.78 115.64 107.41 2jn6 s THR 3 Ca -0.03 -1.21 -0.16 0.00 -1.21 0.00 0.00 61.69 59.08 2jn6 s THR 3 Cb 0.15 -2.75 0.02 0.00 -1.51 0.00 0.00 72.50 68.41 2jn6 s THR 3 CO 0.70 0.00 0.63 1.17 -2.21 0.00 0.00 174.62 174.91 2jn6 n LYS 4 N -1.77 -2.11 -2.32 7.08 0.00 -1.26 -5.02 118.16 112.75 2jn6 n LYS 4 Ca 0.06 1.88 -0.25 0.00 0.00 0.00 0.00 58.31 60.00 2jn6 n LYS 4 Cb 0.61 -5.11 0.11 0.00 0.00 0.00 0.00 35.03 30.64 2jn6 n LYS 4 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2jn6 s THR 5 N -2.54 2.19 0.36 3.15 -4.23 -1.26 -4.94 115.64 108.37 2jn6 s THR 5 Ca 0.22 -0.37 0.06 0.00 -1.18 0.00 0.00 61.69 60.42 2jn6 s THR 5 Cb -0.05 -2.82 -0.03 0.00 1.34 0.00 0.00 72.50 70.94 2jn6 s THR 5 CO 0.78 0.00 0.22 -0.72 -0.54 0.00 0.00 174.62 174.37 2jn6 s TYR 6 N -3.31 1.76 0.02 3.99 1.13 -1.26 -5.18 117.35 114.49 2jn6 s TYR 6 Ca 0.65 -1.53 -0.10 0.00 -1.41 0.00 0.00 57.07 54.68 2jn6 s TYR 6 Cb -0.07 -0.88 0.01 0.00 -1.10 0.00 0.00 41.96 39.92 2jn6 s TYR 6 CO 0.46 -0.66 0.21 -1.12 -2.51 0.00 0.00 175.55 171.93 2jn6 s SER 7 N -3.46 -0.03 0.29 -0.18 0.01 -1.26 -5.05 113.70 104.01 2jn6 s SER 7 Ca 0.34 -0.20 0.04 0.00 1.31 0.00 0.00 55.95 57.43 2jn6 s SER 7 Cb 0.02 0.27 0.43 0.00 0.21 0.00 0.00 66.02 66.95 2jn6 s SER 7 CO 0.22 -0.48 1.72 -0.33 0.41 0.00 0.00 173.24 174.78 2jn6 h GLU 8 N 3.78 0.41 -0.09 12.44 4.39 -2.02 -2.48 114.58 131.00 2jn6 h GLU 8 Ca -0.31 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.18 2jn6 h GLU 8 Cb 1.19 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 2jn6 h GLU 8 CO 0.44 0.67 -0.13 0.93 -1.16 0.00 0.00 179.01 179.76 2jn6 h GLU 9 N 0.36 0.14 -0.61 2.33 4.39 -1.98 0.37 114.58 119.58 2jn6 h GLU 9 Ca 0.05 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.65 2jn6 h GLU 9 Cb 0.71 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 2jn6 h GLU 9 CO 0.05 0.28 0.12 0.35 -1.16 0.00 0.00 179.01 178.65 2jn6 h PHE 10 N 0.14 1.05 -0.43 4.33 3.57 -1.86 0.37 116.94 124.10 2jn6 h PHE 10 Ca 0.03 -0.14 -0.07 0.00 3.53 0.00 0.00 57.97 61.32 2jn6 h PHE 10 Cb 0.32 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 2jn6 h PHE 10 CO 0.00 0.90 0.00 0.87 -2.23 0.00 0.00 178.31 177.85 2jn6 h LYS 11 N 0.90 0.77 -0.75 1.11 1.57 -1.24 -1.72 116.57 117.20 2jn6 h LYS 11 Ca 0.19 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2jn6 h LYS 11 Cb 0.40 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 2jn6 h LYS 11 CO 0.01 0.84 0.45 -0.09 -0.57 0.00 0.00 179.45 180.08 2jn6 h ARG 12 N 0.61 1.03 -0.07 3.15 1.12 -0.62 -2.26 114.38 117.33 2jn6 h ARG 12 Ca 0.12 -0.10 -0.17 0.00 -1.11 0.00 0.00 59.98 58.72 2jn6 h ARG 12 Cb 0.49 -0.21 -0.01 0.00 -0.01 0.00 0.00 29.97 30.23 2jn6 h ARG 12 CO 0.02 0.74 -0.69 0.22 -3.11 0.00 0.00 179.97 177.15 2jn6 h ASP 13 N 1.03 0.40 -0.48 -3.80 3.58 -0.85 -2.87 116.42 113.43 2jn6 h ASP 13 Ca 0.27 -0.25 0.01 0.00 0.42 0.00 0.00 57.03 57.48 2jn6 h ASP 13 Cb -0.02 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 40.89 2jn6 h ASP 13 CO -0.05 0.97 0.31 0.00 -2.88 0.00 0.00 179.24 177.59 2jn6 h ALA 14 N 1.03 0.61 -0.65 -0.78 0.00 -0.89 0.13 119.26 118.72 2jn6 h ALA 14 Ca -0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2jn6 h ALA 14 Cb 1.24 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2jn6 h ALA 14 CO 0.11 0.04 0.16 0.28 0.00 0.00 0.00 179.25 179.84 2jn6 h VAL 15 N 0.63 1.26 -0.36 0.00 2.07 -1.38 -1.74 116.25 116.73 2jn6 h VAL 15 Ca 0.18 -0.93 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 2jn6 h VAL 15 Cb -0.05 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2jn6 h VAL 15 CO -0.05 0.35 -0.17 0.00 0.02 0.00 0.00 177.57 177.73 2jn6 h ALA 16 N 1.06 1.04 -0.31 1.67 0.00 -1.24 -2.52 119.26 118.96 2jn6 h ALA 16 Ca 0.20 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2jn6 h ALA 16 Cb 0.36 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2jn6 h ALA 16 CO 0.00 0.58 -0.09 1.25 0.00 0.00 0.00 179.25 180.99 2jn6 h LEU 17 N 0.59 0.50 -1.70 0.00 5.85 -0.38 -2.26 115.31 117.90 2jn6 h LEU 17 Ca 0.09 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 2jn6 h LEU 17 Cb 0.62 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2jn6 h LEU 17 CO 0.04 0.63 -0.18 0.22 -0.34 0.00 0.00 178.44 178.82 2jn6 h TYR 18 N 0.48 0.00 0.00 1.25 3.20 -0.88 -0.31 116.97 120.72 2jn6 h TYR 18 Ca 0.09 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2jn6 h TYR 18 Cb 0.45 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.72 2jn6 h TYR 18 CO 0.02 0.18 0.00 0.93 -1.64 0.00 0.00 178.16 177.64 2jn6 h GLU 19 N 0.00 0.00 -0.97 1.82 4.39 -1.28 -2.45 114.58 116.09 2jn6 h GLU 19 Ca -0.00 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.20 2jn6 h GLU 19 Cb 0.43 0.00 -0.29 0.00 -0.10 0.00 0.00 28.75 28.78 2jn6 h GLU 19 CO 0.02 0.00 0.62 0.09 -1.16 0.00 0.00 179.01 178.58 2jn6 n ASN 20 N -2.54 3.76 0.21 1.42 3.02 -0.13 -4.63 115.26 116.38 2jn6 n ASN 20 Ca 0.01 -3.60 0.09 0.00 -0.03 0.00 0.00 54.58 51.05 2jn6 n ASN 20 Cb 0.24 -0.83 0.43 0.00 -0.61 0.00 0.00 39.78 39.00 2jn6 n ASN 20 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2jn6 h SER 21 N 1.08 0.00 0.31 6.41 4.64 -1.53 -2.25 113.55 122.21 2jn6 h SER 21 Ca 0.61 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.93 2jn6 h SER 21 Cb 2.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.90 2jn6 h SER 21 CO 1.07 0.27 0.00 0.47 -0.87 0.00 0.00 176.83 177.77 2jn6 n ASP 22 N -3.45 0.61 -0.25 4.97 8.00 -1.26 -0.89 116.55 124.27 2jn6 n ASP 22 Ca -0.00 0.72 0.03 0.00 0.71 0.00 0.00 54.79 56.25 2jn6 n ASP 22 Cb 0.45 -0.82 0.04 0.00 -0.02 0.00 0.00 41.12 40.77 2jn6 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jn6 n GLY 23 N -0.75 0.40 3.56 0.44 0.00 -0.86 -4.98 105.19 102.99 2jn6 n GLY 23 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.65 -2.12 0.73 4.61 0.00 -0.07 -5.06 121.76 119.20 2jn6 s ALA 24 Ca 0.08 2.25 -0.15 0.00 0.00 0.00 0.00 51.96 54.14 2jn6 s ALA 24 Cb 0.05 -1.86 0.04 0.00 0.00 0.00 0.00 23.12 21.35 2jn6 s ALA 24 CO 0.07 -1.00 1.21 0.45 0.00 0.00 0.00 175.76 176.50 2jn6 s SER 25 N 2.87 4.21 0.22 0.00 0.15 -1.25 -4.13 113.70 115.78 2jn6 s SER 25 Ca -0.02 2.38 -0.08 0.00 0.70 0.00 0.00 55.95 58.94 2jn6 s SER 25 Cb -0.12 -2.59 0.32 0.00 -1.71 0.00 0.00 66.02 61.92 2jn6 s SER 25 CO -0.19 -2.25 1.75 0.25 1.20 0.00 0.00 173.24 173.99 2jn6 h LEU 26 N -0.24 0.27 -0.65 3.45 6.46 -1.97 0.11 115.31 122.73 2jn6 h LEU 26 Ca -0.48 0.08 0.04 0.00 -0.12 0.00 0.00 57.88 57.41 2jn6 h LEU 26 Cb 1.30 0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 41.24 2jn6 h LEU 26 CO 0.50 0.15 0.38 -0.61 -0.62 0.00 0.00 178.44 178.24 2jn6 h GLN 27 N 0.44 0.71 -0.32 1.25 5.75 -1.99 -2.48 115.11 118.47 2jn6 h GLN 27 Ca 0.33 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.74 2jn6 h GLN 27 Cb 0.42 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 2jn6 h GLN 27 CO -0.32 0.47 0.00 1.96 -2.65 0.00 0.00 178.83 178.29 2jn6 h GLN 28 N 0.73 0.50 0.38 1.69 1.08 -1.35 0.24 115.11 118.39 2jn6 h GLN 28 Ca 0.28 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 2jn6 h GLN 28 Cb 0.10 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2jn6 h GLN 28 CO -0.14 0.52 -0.22 0.82 -0.95 0.00 0.00 178.83 178.87 2jn6 h ILE 29 N 0.48 0.55 -0.06 2.54 1.08 -0.86 0.14 117.51 121.39 2jn6 h ILE 29 Ca 0.10 0.00 -0.14 0.00 -0.39 0.00 0.00 64.86 64.44 2jn6 h ILE 29 Cb 0.31 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 2jn6 h ILE 29 CO 0.01 0.00 -0.58 0.00 -0.69 0.00 0.00 178.15 176.89 2jn6 h ALA 30 N 0.05 0.92 -0.42 1.87 0.00 -1.43 -2.98 119.26 117.28 2jn6 h ALA 30 Ca -0.04 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 2jn6 h ALA 30 Cb 0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2jn6 h ALA 30 CO 0.05 0.72 -0.13 -0.97 0.00 0.00 0.00 179.25 178.92 2jn6 h ASN 31 N 0.13 0.83 -0.28 0.00 -1.24 -0.29 0.60 115.58 115.34 2jn6 h ASN 31 Ca -0.00 -0.37 -0.03 0.00 0.71 0.00 0.00 56.30 56.60 2jn6 h ASN 31 Cb 1.06 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.87 2jn6 h ASN 31 CO 0.09 1.02 0.04 -0.78 -1.29 0.00 0.00 177.43 176.51 2jn6 h ASP 32 N 0.64 0.45 -0.27 1.15 3.58 -0.72 -3.17 116.42 118.08 2jn6 h ASP 32 Ca 0.10 -0.26 -0.17 0.00 0.42 0.00 0.00 57.03 57.12 2jn6 h ASP 32 Cb 0.67 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.59 2jn6 h ASP 32 CO 0.05 0.60 -0.46 -0.07 -2.88 0.00 0.00 179.24 176.47 2jn6 h LEU 33 N 0.28 0.92 0.00 2.28 3.38 -1.48 -3.48 115.31 117.21 2jn6 h LEU 33 Ca 0.08 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2jn6 h LEU 33 Cb 0.34 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2jn6 h LEU 33 CO 0.01 1.23 0.00 0.61 0.09 0.00 0.00 178.44 180.37 2jn6 n GLY 34 N 0.21 1.27 3.36 0.83 0.00 0.08 -5.11 105.19 105.83 2jn6 n GLY 34 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 1.92 0.49 -0.61 -4.36 -0.46 -5.05 121.20 111.13 2jn6 s ILE 35 Ca 0.00 -2.10 -0.24 0.00 -0.26 0.00 0.00 60.65 58.06 2jn6 s ILE 35 Cb 0.00 -1.99 -0.07 0.00 1.25 0.00 0.00 42.46 41.65 2jn6 s ILE 35 CO 0.00 -0.41 1.34 0.21 0.24 0.00 0.00 174.94 176.32 2jn6 s ASN 36 N -3.01 5.73 0.35 4.36 3.84 -1.26 -4.44 114.94 120.51 2jn6 s ASN 36 Ca 0.20 2.73 0.05 0.00 0.21 0.00 0.00 52.86 56.05 2jn6 s ASN 36 Cb -0.04 -2.64 0.66 0.00 -0.55 0.00 0.00 41.25 38.68 2jn6 s ASN 36 CO 0.08 -1.26 1.93 0.03 -2.79 0.00 0.00 177.10 175.09 2jn6 h ARG 37 N 1.98 0.57 -0.02 0.43 2.47 -1.96 -1.17 114.38 116.67 2jn6 h ARG 37 Ca -0.50 -0.09 -0.24 0.00 -1.26 0.00 0.00 59.98 57.89 2jn6 h ARG 37 Cb 1.27 -0.10 0.01 0.00 -1.65 0.00 0.00 29.97 29.51 2jn6 h ARG 37 CO 0.60 0.52 -0.94 0.28 0.56 0.00 0.00 179.97 180.98 2jn6 h VAL 38 N 0.56 1.34 -0.79 2.04 2.07 -1.99 -2.73 116.25 116.75 2jn6 h VAL 38 Ca 0.13 -2.29 -0.00 0.00 0.82 0.00 0.00 66.70 65.36 2jn6 h VAL 38 Cb 0.20 2.33 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 2jn6 h VAL 38 CO -0.01 0.70 0.48 0.74 0.02 0.00 0.00 177.57 179.50 2jn6 h THR 39 N 0.33 1.22 0.54 2.57 2.02 -1.73 0.19 112.91 118.05 2jn6 h THR 39 Ca -0.09 -0.47 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 2jn6 h THR 39 Cb 1.58 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2jn6 h THR 39 CO 0.17 0.23 -0.27 0.25 0.37 0.00 0.00 175.52 176.27 2jn6 h LEU 40 N 1.09 -0.65 -0.80 2.58 5.85 -1.20 -1.85 115.31 120.33 2jn6 h LEU 40 Ca 0.29 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.14 2jn6 h LEU 40 Cb -0.05 0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.07 2jn6 h LEU 40 CO -0.05 -0.45 0.44 0.50 -0.34 0.00 0.00 178.44 178.53 2jn6 h LYS 41 N -0.74 0.68 0.13 1.25 3.64 -1.12 -0.59 116.57 119.82 2jn6 h LYS 41 Ca -0.07 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2jn6 h LYS 41 Cb 0.57 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 2jn6 h LYS 41 CO 0.11 0.45 -0.34 -0.97 -2.27 0.00 0.00 179.45 176.43 2jn6 h ASN 42 N 0.71 -0.99 -0.97 4.20 -1.24 -0.45 -0.68 115.58 116.15 2jn6 h ASN 42 Ca 0.40 0.11 0.03 0.00 0.71 0.00 0.00 56.30 57.55 2jn6 h ASN 42 Cb 0.44 0.37 -0.05 0.00 0.73 0.00 0.00 38.32 39.81 2jn6 h ASN 42 CO -0.28 -0.43 0.63 -0.50 -1.29 0.00 0.00 177.43 175.56 2jn6 h TRP 43 N -0.58 1.19 -0.39 0.67 6.55 -0.76 -0.87 115.95 121.76 2jn6 h TRP 43 Ca 0.03 0.03 0.02 0.00 0.95 0.00 0.00 58.89 59.91 2jn6 h TRP 43 Cb 0.60 -0.40 -0.03 0.00 -0.86 0.00 0.00 29.16 28.48 2jn6 h TRP 43 CO -0.30 0.71 0.23 0.82 -1.05 0.00 0.00 178.44 178.85 2jn6 h ILE 44 N 1.25 1.04 -0.15 1.49 2.04 -0.49 0.36 117.51 123.05 2jn6 h ILE 44 Ca 0.37 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 66.02 2jn6 h ILE 44 Cb -0.05 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2jn6 h ILE 44 CO -0.11 0.09 -0.11 0.40 0.00 0.00 0.00 178.15 178.41 2jn6 h ILE 45 N 0.47 1.33 0.14 -0.67 2.04 -0.80 -0.92 117.51 119.09 2jn6 h ILE 45 Ca 0.16 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 2jn6 h ILE 45 Cb 0.01 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2jn6 h ILE 45 CO -0.07 0.36 -0.07 0.50 0.00 0.00 0.00 178.15 178.87 2jn6 h LYS 46 N -0.00 -0.18 0.00 2.37 3.64 -1.03 -3.05 116.57 118.32 2jn6 h LYS 46 Ca 0.03 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 2jn6 h LYS 46 Cb 0.62 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 2jn6 h LYS 46 CO 0.03 0.27 -0.62 1.88 -2.27 0.00 0.00 179.45 178.74 2jn6 h TYR 47 N -0.77 0.00 0.00 1.91 -1.99 -0.41 -2.56 116.97 113.15 2jn6 h TYR 47 Ca -0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.71 2jn6 h TYR 47 Cb 0.54 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.27 2jn6 h TYR 47 CO 0.09 0.59 0.00 0.41 -0.00 0.00 0.00 178.16 179.24 2jn6 n GLY 48 N 1.25 -1.10 0.16 3.88 0.00 -0.35 -2.02 105.19 107.01 2jn6 n GLY 48 Ca 0.01 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.06 2jn6 n GLY 48 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2jn6 h SER 49 N 0.00 0.00 -2.58 1.61 0.87 -1.34 -3.45 113.55 108.66 2jn6 h SER 49 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 2jn6 h SER 49 Cb 0.30 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.28 2jn6 h SER 49 CO 0.00 0.38 1.08 0.20 -0.53 0.00 0.00 176.83 177.97 2jn6 s ASN 50 N -6.38 6.52 0.20 6.23 0.01 -0.86 -4.88 114.94 115.78 2jn6 s ASN 50 Ca 0.04 2.59 -0.05 0.00 -0.71 0.00 0.00 52.86 54.73 2jn6 s ASN 50 Cb 0.08 -2.56 0.13 0.00 0.41 0.00 0.00 41.25 39.31 2jn6 s ASN 50 CO 0.72 -0.96 1.55 -0.74 -1.51 0.00 0.00 177.10 176.16 2jn6 h HIS 51 N 8.88 0.82 -0.92 2.20 -0.00 -1.89 -3.45 115.15 120.79 2jn6 h HIS 51 Ca -0.45 -0.24 0.18 0.00 -0.00 0.00 0.00 60.37 59.87 2jn6 h HIS 51 Cb 1.21 -0.17 -0.26 0.00 -0.00 0.00 0.00 27.41 28.19 2jn6 h HIS 51 CO 0.82 0.98 0.35 1.21 -0.00 0.00 0.00 177.93 181.29 2jn6 s ASN 52 N -6.85 -0.43 0.27 3.26 3.84 -1.26 -5.04 114.94 108.73 2jn6 s ASN 52 Ca -0.09 0.61 0.00 0.00 0.21 0.00 0.00 52.86 53.59 2jn6 s ASN 52 Cb 0.12 1.43 0.54 0.00 -0.55 0.00 0.00 41.25 42.79 2jn6 s ASN 52 CO 0.84 -0.09 1.80 -0.37 -2.79 0.00 0.00 177.10 176.50 2jn6 h VAL 53 N 5.30 0.84 -5.49 -5.21 -1.51 -1.99 -3.48 116.25 104.71 2jn6 h VAL 53 Ca -0.18 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2jn6 h VAL 53 Cb 1.13 -0.06 -0.04 0.00 -2.13 0.00 0.00 31.29 30.19 2jn6 h VAL 53 CO 0.11 0.15 -1.03 0.00 -1.23 0.00 0.00 177.57 175.56 2jn6 n GLN 54 N -4.73 -2.91 0.00 5.19 1.13 -1.26 -4.97 117.38 109.84 2jn6 n GLN 54 Ca 0.18 2.39 0.00 0.00 -1.94 0.00 0.00 57.00 57.63 2jn6 n GLN 54 Cb 0.39 -3.78 0.00 0.00 0.11 0.00 0.00 30.24 26.96 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 1.40 -0.34 2.76 1.08 0.00 -1.26 -5.07 105.19 103.76 2jn6 n GLY 55 Ca -0.13 -0.44 -0.17 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.25 -0.40 0.43 2.61 -4.23 -1.26 -5.14 115.64 105.40 2jn6 s THR 56 Ca 0.00 -0.43 -0.24 0.00 -1.18 0.00 0.00 61.69 59.83 2jn6 s THR 56 Cb 0.00 -0.94 -0.08 0.00 1.34 0.00 0.00 72.50 72.82 2jn6 s THR 56 CO 0.00 -0.43 1.20 0.42 -0.54 0.00 0.00 174.62 175.27 2jn6 s THR 57 N 2.36 2.98 -0.23 3.99 -4.23 -1.26 -4.92 115.64 114.33 2jn6 s THR 57 Ca 0.09 0.80 -0.28 0.00 -1.18 0.00 0.00 61.69 61.12 2jn6 s THR 57 Cb -0.14 -3.44 -0.04 0.00 1.34 0.00 0.00 72.50 70.22 2jn6 s THR 57 CO -0.30 0.05 2.08 -2.84 -0.54 0.00 0.00 174.62 173.07 2jn6 s PRO 58 N -2.44 3.27 0.47 3.99 0.02 -1.26 -4.85 135.00 134.20 2jn6 s PRO 58 Ca 0.60 1.91 0.28 0.00 0.02 0.00 0.00 61.00 63.81 2jn6 s PRO 58 Cb -0.32 -4.30 0.86 0.00 0.02 0.00 0.00 34.50 30.76 2jn6 s PRO 58 CO 0.40 -1.94 1.79 0.66 -0.33 0.00 0.00 177.00 177.58 2jn6 h SER 59 N 14.06 0.00 0.04 2.53 4.64 -2.05 -3.17 113.55 129.60 2jn6 h SER 59 Ca -0.39 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2jn6 h SER 59 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2jn6 h SER 59 CO 0.98 0.00 -0.00 0.00 -0.87 0.00 0.00 176.83 176.94 2jn6 h ALA 60 N 2.04 1.01 0.00 5.18 0.00 -2.03 -1.88 119.26 123.59 2jn6 h ALA 60 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jn6 h ALA 60 Cb 0.73 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2jn6 h ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 2jn6 n ALA 61 N -2.09 2.12 0.07 0.00 0.00 -1.20 -2.18 120.51 117.23 2jn6 n ALA 61 Ca -0.03 -0.10 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 2jn6 n ALA 61 Cb 0.08 -1.35 -0.12 0.00 0.00 0.00 0.00 19.45 18.06 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 1.66 -0.12 0.00 2.07 -1.60 -3.17 116.25 115.09 2jn6 h VAL 62 Ca 0.00 -3.34 -0.14 0.00 0.82 0.00 0.00 66.70 64.04 2jn6 h VAL 62 Cb 0.20 2.86 0.01 0.00 -1.52 0.00 0.00 31.29 32.84 2jn6 h VAL 62 CO 0.00 0.95 -0.49 0.28 0.02 0.00 0.00 177.57 178.34 2jn6 h SER 63 N 0.02 0.63 1.00 0.57 0.02 -1.63 -3.25 113.55 110.92 2jn6 h SER 63 Ca -0.04 -0.62 -0.01 0.00 -0.84 0.00 0.00 61.79 60.27 2jn6 h SER 63 Cb 1.82 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 64.17 2jn6 h SER 63 CO 0.14 1.15 -0.04 -0.08 -1.14 0.00 0.00 176.83 176.87 2jn6 h GLU 64 N 0.16 0.00 -0.11 3.45 4.57 -1.65 -2.87 114.58 118.14 2jn6 h GLU 64 Ca -0.03 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.18 2jn6 h GLU 64 Cb 1.12 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.71 2jn6 h GLU 64 CO 0.10 0.04 0.10 0.00 -1.18 0.00 0.00 179.01 178.07 2jn6 h ALA 65 N 1.96 1.83 -0.35 2.92 0.00 -1.58 -0.49 119.26 123.56 2jn6 h ALA 65 Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jn6 h ALA 65 Cb 0.55 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2jn6 h ALA 65 CO 0.01 -0.15 0.21 1.49 0.00 0.00 0.00 179.25 180.81 2jn6 h GLU 66 N 0.00 0.47 0.04 0.00 4.81 -1.70 -0.39 114.58 117.81 2jn6 h GLU 66 Ca 0.05 -0.04 -0.24 0.00 -0.13 0.00 0.00 59.36 59.00 2jn6 h GLU 66 Cb 0.24 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2jn6 h GLU 66 CO -0.00 0.36 -1.03 1.96 -0.73 0.00 0.00 179.01 179.57 2jn6 h GLN 67 N 0.46 0.38 -0.47 1.92 4.20 -1.45 -3.11 115.11 117.04 2jn6 h GLN 67 Ca 0.13 -0.46 0.01 0.00 0.06 0.00 0.00 58.65 58.39 2jn6 h GLN 67 Cb 0.00 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 2jn6 h GLN 67 CO -0.02 1.14 0.30 0.82 -0.67 0.00 0.00 178.83 180.40 2jn6 h ILE 68 N 0.19 1.10 -0.47 2.54 2.04 -0.92 0.14 117.51 122.12 2jn6 h ILE 68 Ca -0.10 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 2jn6 h ILE 68 Cb 1.69 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 2jn6 h ILE 68 CO 0.18 0.11 -0.01 -0.09 0.00 0.00 0.00 178.15 178.34 2jn6 h ARG 69 N 0.61 0.78 -0.28 2.37 2.43 -1.12 -0.93 114.38 118.25 2jn6 h ARG 69 Ca 0.18 -0.21 -0.16 0.00 -0.81 0.00 0.00 59.98 58.98 2jn6 h ARG 69 Cb -0.04 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 2jn6 h ARG 69 CO -0.05 0.80 -0.46 0.37 -1.51 0.00 0.00 179.97 179.11 2jn6 h GLN 70 N 0.73 0.72 -0.21 0.20 -0.00 -1.39 -1.45 115.11 113.71 2jn6 h GLN 70 Ca 0.14 -0.41 -0.05 0.00 -0.00 0.00 0.00 58.65 58.34 2jn6 h GLN 70 Cb 0.45 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.96 2jn6 h GLN 70 CO 0.02 1.03 -0.06 1.25 0.00 0.00 0.00 178.83 181.07 2jn6 h LEU 71 N 0.58 0.42 -0.37 -2.39 5.85 -0.23 -2.93 115.31 116.24 2jn6 h LEU 71 Ca 0.03 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2jn6 h LEU 71 Cb 1.02 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2jn6 h LEU 71 CO 0.10 0.70 0.00 0.07 -0.34 0.00 0.00 178.44 178.97 2jn6 h LYS 72 N 0.14 0.00 -5.03 1.25 2.10 -1.23 -3.49 116.57 110.30 2jn6 h LYS 72 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 2jn6 h LYS 72 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 2jn6 h LYS 72 CO 0.02 0.00 -0.83 1.63 -2.00 0.00 0.00 179.45 178.27 2jn6 n LYS 73 N -3.03 -3.07 -2.04 0.07 5.02 -0.55 -4.87 118.16 109.69 2jn6 n LYS 73 Ca 0.03 2.53 -0.43 0.00 -2.02 0.00 0.00 58.31 58.42 2jn6 n LYS 73 Cb 0.46 -5.20 -0.03 0.00 -0.02 0.00 0.00 35.03 30.24 2jn6 n LYS 73 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2jn6 s GLU 74 N -1.75 3.68 0.24 1.97 2.12 -1.20 -4.98 118.70 118.79 2jn6 s GLU 74 Ca 0.05 1.68 0.09 0.00 0.36 0.00 0.00 54.97 57.15 2jn6 s GLU 74 Cb -0.01 -4.09 -0.04 0.00 0.26 0.00 0.00 34.13 30.24 2jn6 s GLU 74 CO 0.74 -1.44 -0.03 0.54 -0.54 0.00 0.00 175.26 174.53 2jn6 s ASN 75 N 4.85 4.47 0.44 -1.70 2.20 -1.26 -5.03 114.94 118.91 2jn6 s ASN 75 Ca 0.76 -0.63 0.25 0.00 -0.94 0.00 0.00 52.86 52.29 2jn6 s ASN 75 Cb -0.26 -0.81 0.81 0.00 -2.00 0.00 0.00 41.25 38.99 2jn6 s ASN 75 CO 0.31 0.03 1.78 0.00 -2.94 0.00 0.00 177.10 176.28 2jn6 h ALA 76 N 2.15 0.97 0.04 3.54 0.00 -1.99 -3.24 119.26 120.73 2jn6 h ALA 76 Ca -0.45 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 2jn6 h ALA 76 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jn6 h ALA 76 CO 0.59 0.23 -0.02 -0.07 0.00 0.00 0.00 179.25 179.98 2jn6 h LEU 77 N 0.00 -0.04 -1.70 0.00 3.38 -1.98 -0.29 115.31 114.68 2jn6 h LEU 77 Ca -0.00 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2jn6 h LEU 77 Cb 0.82 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2jn6 h LEU 77 CO 0.02 0.08 -0.18 1.56 0.09 0.00 0.00 178.44 180.02 2jn6 h GLN 78 N -0.17 0.00 0.00 1.13 1.08 -1.99 -2.40 115.11 112.76 2jn6 h GLN 78 Ca -0.01 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.02 2jn6 h GLN 78 Cb 0.15 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 2jn6 h GLN 78 CO 0.01 0.18 -0.92 -0.09 -0.95 0.00 0.00 178.83 177.06 2jn6 h ARG 79 N 0.00 0.00 0.00 1.46 9.65 -1.50 -3.23 114.38 120.76 2jn6 h ARG 79 Ca -0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2jn6 h ARG 79 Cb 0.38 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.96 2jn6 h ARG 79 CO 0.02 0.73 -0.10 0.00 2.80 0.00 0.00 179.97 183.42 2jn6 h ALA 80 N 1.21 0.95 0.00 2.80 0.00 -0.63 -3.28 119.26 120.30 2jn6 h ALA 80 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jn6 h ALA 80 Cb 1.64 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2jn6 h ALA 80 CO 0.10 0.02 0.00 0.54 0.00 0.00 0.00 179.25 179.91 2jn6 n ARG 81 N -3.07 0.08 0.00 0.00 1.74 -0.94 -3.91 116.66 110.56 2jn6 n ARG 81 Ca 0.04 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 2jn6 n ARG 81 Cb 0.54 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 2jn6 n ARG 81 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2jn6 n THR 82 N -1.82 0.00 -4.30 0.55 -1.04 -1.24 -4.87 114.28 101.56 2jn6 n THR 82 Ca 0.02 0.86 -0.25 0.00 -2.04 0.00 0.00 64.05 62.65 2jn6 n THR 82 Cb 0.16 -1.78 -0.13 0.00 -1.82 0.00 0.00 70.33 66.77 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 -0.72 1.17 0.13 -2.82 0.52 -1.25 -4.96 118.95 111.02 2jn6 s ARG 83 Ca 0.00 -1.20 0.07 0.00 -0.52 0.00 0.00 55.73 54.08 2jn6 s ARG 83 Cb 0.00 -1.47 -0.04 0.00 0.52 0.00 0.00 34.95 33.96 2jn6 s ARG 83 CO 0.00 0.34 -0.17 -3.38 0.02 0.00 0.00 175.30 172.11 2jn6 s HIS 84 N -1.17 1.59 1.18 -0.53 -3.43 -1.26 -4.96 115.29 106.70 2jn6 s HIS 84 Ca 0.08 -0.49 -0.17 0.00 -0.80 0.00 0.00 55.06 53.68 2jn6 s HIS 84 Cb -0.10 -0.83 0.27 0.00 -1.43 0.00 0.00 32.58 30.49 2jn6 s HIS 84 CO 0.05 0.21 1.07 -1.25 -2.00 0.00 0.00 174.74 172.81 2jn6 s PRO 85 N -2.46 -1.02 -0.34 -0.38 0.04 -1.26 -5.00 135.00 124.57 2jn6 s PRO 85 Ca 0.09 0.23 -0.12 0.00 0.04 0.00 0.00 61.00 61.24 2jn6 s PRO 85 Cb -0.07 -1.59 -0.01 0.00 0.04 0.00 0.00 34.50 32.87 2jn6 s PRO 85 CO 0.04 -3.64 0.21 0.00 0.04 0.00 0.00 177.00 173.65 2jn6 s ALA 86 N -2.82 3.40 0.14 8.56 0.00 -1.26 -4.91 121.76 124.87 2jn6 s ALA 86 Ca 0.69 -1.43 0.27 0.00 0.00 0.00 0.00 51.96 51.48 2jn6 s ALA 86 Cb -0.15 -2.57 1.07 0.00 0.00 0.00 0.00 23.12 21.47 2jn6 s ALA 86 CO 0.58 -1.01 1.88 0.93 0.00 0.00 0.00 175.76 178.14 2jn6 h GLU 87 N 8.44 0.00 -0.22 0.00 3.07 -2.05 -3.16 114.58 120.66 2jn6 h GLU 87 Ca -0.31 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.61 2jn6 h GLU 87 Cb 1.15 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.05 2jn6 h GLU 87 CO 0.64 0.15 0.36 0.77 -1.40 0.00 0.00 179.01 179.53 2jn6 h SER 88 N 0.00 0.00 0.03 1.42 0.02 -2.04 -2.01 113.55 110.98 2jn6 h SER 88 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jn6 h SER 88 Cb 0.66 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.20 2jn6 h SER 88 CO 0.02 0.00 -0.01 0.00 -1.14 0.00 0.00 176.83 175.70 2jn6 h LEU 90 N 0.00 0.00 0.28 0.00 8.10 -1.64 -2.83 115.31 119.21 2jn6 h LEU 90 Ca -0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 2jn6 h LEU 90 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.25 2jn6 h LEU 90 CO 0.00 0.00 -0.13 -0.33 -4.11 0.00 0.00 178.44 173.87 2jn6 h GLU 91 N 0.00 -0.36 -2.30 0.17 3.07 -1.59 -3.49 114.58 110.08 2jn6 h GLU 91 Ca 0.00 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2jn6 h GLU 91 Cb 0.51 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 2jn6 h GLU 91 CO 0.00 -0.18 -0.52 1.58 -1.40 0.00 0.00 179.01 178.48 2jn6 n HIS 92 N -5.22 -2.65 -1.96 4.33 -0.00 -1.07 -4.88 115.22 103.77 2jn6 n HIS 92 Ca -0.10 1.40 -0.42 0.00 0.46 0.00 0.00 57.72 59.06 2jn6 n HIS 92 Cb 0.19 -2.72 -0.03 0.00 -0.12 0.00 0.00 29.99 27.31 2jn6 n HIS 92 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2jn6 s HIS 93 N -1.44 3.05 0.15 1.57 -3.43 -1.26 -5.01 115.29 108.93 2jn6 s HIS 93 Ca 0.00 0.73 0.10 0.00 -0.80 0.00 0.00 55.06 55.09 2jn6 s HIS 93 Cb 0.00 -3.90 -0.04 0.00 -1.43 0.00 0.00 32.58 27.21 2jn6 s HIS 93 CO 0.00 -3.21 -0.21 -3.38 -2.00 0.00 0.00 174.74 165.94 2jn6 s HIS 94 N 0.86 2.00 -0.06 0.38 -3.43 -1.26 -5.14 115.29 108.64 2jn6 s HIS 94 Ca 0.67 -0.42 0.03 0.00 -0.80 0.00 0.00 55.06 54.55 2jn6 s HIS 94 Cb -0.43 -1.03 -0.02 0.00 -1.43 0.00 0.00 32.58 29.67 2jn6 s HIS 94 CO 0.34 0.35 -0.14 -1.58 -2.00 0.00 0.00 174.74 171.71 2jn6 s HIS 95 N -1.63 2.71 -0.07 0.38 2.46 -1.26 -5.12 115.29 112.76 2jn6 s HIS 95 Ca 0.15 -0.23 0.02 0.00 0.47 0.00 0.00 55.06 55.46 2jn6 s HIS 95 Cb -0.08 -1.66 -0.03 0.00 -0.13 0.00 0.00 32.58 30.69 2jn6 s HIS 95 CO 0.07 0.12 -0.11 -1.58 -2.47 0.00 0.00 174.74 170.78 2jn6 s HIS 96 N -0.57 2.83 0.00 3.88 2.46 -1.26 -5.35 115.29 117.28 2jn6 s HIS 96 Ca 0.08 -0.13 0.00 0.00 0.47 0.00 0.00 55.06 55.48 2jn6 s HIS 96 Cb -0.11 -1.70 0.00 0.00 -0.13 0.00 0.00 32.58 30.64 2jn6 s HIS 96 CO 0.01 0.20 0.00 0.72 -2.47 0.00 0.00 174.74 173.20