#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 -5.10 0.03 0.11 -2.13 -3.40 132.00 121.50 2jn6 h PRO 2 Ca 0.00 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.48 2jn6 h PRO 2 Cb 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 30.96 2jn6 h PRO 2 CO 0.00 0.19 -0.35 0.95 -0.21 0.00 0.00 178.00 178.58 2jn6 s THR 3 N -4.59 5.24 -0.09 -1.15 -4.23 -1.26 -4.92 115.64 104.64 2jn6 s THR 3 Ca -0.04 0.42 0.13 0.00 -1.18 0.00 0.00 61.69 61.03 2jn6 s THR 3 Cb 0.15 -3.63 0.20 0.00 1.34 0.00 0.00 72.50 70.57 2jn6 s THR 3 CO 0.69 0.22 1.10 2.29 -0.54 0.00 0.00 174.62 178.38 2jn6 n LYS 4 N 5.03 1.74 -1.77 3.99 -0.00 -1.26 -5.06 118.16 120.82 2jn6 n LYS 4 Ca -0.11 -2.22 -0.33 0.00 -0.00 0.00 0.00 58.31 55.64 2jn6 n LYS 4 Cb 0.51 -1.33 0.05 0.00 -0.00 0.00 0.00 35.03 34.26 2jn6 n LYS 4 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2jn6 s THR 5 N -2.26 3.13 0.22 0.58 2.01 -1.26 -5.05 115.64 113.00 2jn6 s THR 5 Ca 0.22 0.54 0.10 0.00 0.31 0.00 0.00 61.69 62.86 2jn6 s THR 5 Cb 0.19 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.58 2jn6 s THR 5 CO 0.02 -0.30 -0.09 -0.72 -0.69 0.00 0.00 174.62 172.84 2jn6 s TYR 6 N -2.24 2.59 0.51 4.92 -0.85 -1.26 -5.13 117.35 115.88 2jn6 s TYR 6 Ca 0.68 -0.24 -0.08 0.00 -0.52 0.00 0.00 57.07 56.91 2jn6 s TYR 6 Cb -0.22 -1.21 -0.04 0.00 0.38 0.00 0.00 41.96 40.87 2jn6 s TYR 6 CO 0.40 0.57 0.85 -1.12 -1.52 0.00 0.00 175.55 174.74 2jn6 s SER 7 N -3.17 6.30 0.42 -0.18 0.01 -1.26 -4.98 113.70 110.84 2jn6 s SER 7 Ca 0.27 1.10 0.20 0.00 1.31 0.00 0.00 55.95 58.84 2jn6 s SER 7 Cb -0.07 -2.32 0.95 0.00 0.21 0.00 0.00 66.02 64.78 2jn6 s SER 7 CO 0.16 -0.63 1.87 1.05 0.41 0.00 0.00 173.24 176.11 2jn6 h GLU 8 N 0.25 0.00 -0.95 12.44 -0.00 -2.01 -2.32 114.58 121.99 2jn6 h GLU 8 Ca -0.46 0.00 0.06 0.00 -0.00 0.00 0.00 59.36 58.96 2jn6 h GLU 8 Cb 1.20 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 29.89 2jn6 h GLU 8 CO 0.62 0.28 0.62 1.49 -0.00 0.00 0.00 179.01 182.02 2jn6 h GLU 9 N 0.00 1.09 -0.16 1.06 4.81 -1.97 0.13 114.58 119.54 2jn6 h GLU 9 Ca -0.00 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2jn6 h GLU 9 Cb 0.64 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2jn6 h GLU 9 CO 0.04 0.72 0.01 0.35 -0.73 0.00 0.00 179.01 179.39 2jn6 h PHE 10 N 1.12 0.00 -0.29 0.92 3.57 -1.81 0.35 116.94 120.81 2jn6 h PHE 10 Ca 0.40 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.82 2jn6 h PHE 10 Cb 0.15 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 2jn6 h PHE 10 CO -0.00 -0.01 -0.18 0.87 -2.23 0.00 0.00 178.31 176.76 2jn6 h LYS 11 N 0.06 0.64 -0.79 1.11 1.57 -1.53 -1.93 116.57 115.70 2jn6 h LYS 11 Ca 0.07 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 2jn6 h LYS 11 Cb 0.09 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 2jn6 h LYS 11 CO -0.12 0.88 0.38 -0.09 -0.57 0.00 0.00 179.45 179.93 2jn6 h ARG 12 N 0.38 1.12 -0.12 3.15 2.43 -0.39 -1.94 114.38 119.01 2jn6 h ARG 12 Ca 0.06 -0.16 -0.20 0.00 -0.81 0.00 0.00 59.98 58.88 2jn6 h ARG 12 Cb 0.71 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2jn6 h ARG 12 CO 0.05 0.86 -0.72 0.22 -1.51 0.00 0.00 179.97 178.87 2jn6 h ASP 13 N 1.12 0.67 -0.51 -3.80 3.58 -0.30 -3.13 116.42 114.04 2jn6 h ASP 13 Ca 0.27 -0.43 -0.00 0.00 0.42 0.00 0.00 57.03 57.29 2jn6 h ASP 13 Cb 0.11 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 2jn6 h ASP 13 CO -0.04 1.19 0.31 0.00 -2.88 0.00 0.00 179.24 177.82 2jn6 h ALA 14 N 0.80 1.56 -0.52 -0.78 0.00 -0.69 0.24 119.26 119.87 2jn6 h ALA 14 Ca -0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2jn6 h ALA 14 Cb 1.31 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2jn6 h ALA 14 CO 0.14 0.38 0.13 0.28 0.00 0.00 0.00 179.25 180.18 2jn6 h VAL 15 N 0.72 1.24 -0.28 0.00 2.07 -1.35 -1.50 116.25 117.16 2jn6 h VAL 15 Ca 0.19 -0.85 -0.12 0.00 0.82 0.00 0.00 66.70 66.74 2jn6 h VAL 15 Cb -0.02 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2jn6 h VAL 15 CO -0.03 0.31 -0.32 0.00 0.02 0.00 0.00 177.57 177.55 2jn6 h ALA 16 N 1.01 0.93 -0.41 1.67 0.00 -1.22 -2.45 119.26 118.79 2jn6 h ALA 16 Ca 0.17 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2jn6 h ALA 16 Cb 0.33 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2jn6 h ALA 16 CO 0.00 0.62 0.13 1.25 0.00 0.00 0.00 179.25 181.25 2jn6 h LEU 17 N 0.50 0.54 -1.45 0.00 5.85 -0.34 -1.94 115.31 118.47 2jn6 h LEU 17 Ca 0.06 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 2jn6 h LEU 17 Cb 0.80 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 2jn6 h LEU 17 CO 0.07 0.52 -0.27 0.22 -0.34 0.00 0.00 178.44 178.63 2jn6 h TYR 18 N 0.58 0.00 0.00 1.25 3.20 -0.79 -0.39 116.97 120.83 2jn6 h TYR 18 Ca 0.14 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2jn6 h TYR 18 Cb 0.17 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.44 2jn6 h TYR 18 CO 0.01 0.27 0.00 0.93 -1.64 0.00 0.00 178.16 177.73 2jn6 h GLU 19 N 0.00 0.00 -0.72 1.82 4.39 -1.18 -2.24 114.58 116.65 2jn6 h GLU 19 Ca -0.00 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 2jn6 h GLU 19 Cb 0.56 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.08 2jn6 h GLU 19 CO 0.03 0.00 0.26 0.09 -1.16 0.00 0.00 179.01 178.24 2jn6 n ASN 20 N -2.72 4.74 0.13 1.42 3.02 -0.16 -4.51 115.26 117.17 2jn6 n ASN 20 Ca 0.01 -3.25 0.11 0.00 -0.03 0.00 0.00 54.58 51.43 2jn6 n ASN 20 Cb 0.25 -0.74 0.49 0.00 -0.61 0.00 0.00 39.78 39.17 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 -0.22 0.60 0.12 6.41 3.41 -0.84 -2.27 113.62 120.83 2jn6 n SER 21 Ca 0.41 0.67 0.08 0.00 -0.26 0.00 0.00 58.87 59.77 2jn6 n SER 21 Cb 1.37 -0.79 0.44 0.00 -0.26 0.00 0.00 64.21 64.97 2jn6 n SER 21 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2jn6 n ASP 22 N -2.19 0.42 -0.30 4.04 8.00 -1.26 -1.28 116.55 123.98 2jn6 n ASP 22 Ca 0.02 0.69 0.04 0.00 0.71 0.00 0.00 54.79 56.25 2jn6 n ASP 22 Cb 0.19 -0.75 0.06 0.00 -0.02 0.00 0.00 41.12 40.61 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 -1.23 2.32 3.52 0.44 0.00 -0.96 -5.03 105.19 104.25 2jn6 n GLY 23 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.23 -2.36 0.68 4.61 0.00 -0.41 -5.16 121.76 117.90 2jn6 s ALA 24 Ca 0.13 2.20 -0.16 0.00 0.00 0.00 0.00 51.96 54.14 2jn6 s ALA 24 Cb 0.12 -1.92 0.01 0.00 0.00 0.00 0.00 23.12 21.34 2jn6 s ALA 24 CO 0.01 -0.95 1.17 -1.12 0.00 0.00 0.00 175.76 174.87 2jn6 s SER 25 N 2.70 4.67 0.19 0.00 0.01 -1.26 -4.29 113.70 115.72 2jn6 s SER 25 Ca -0.04 2.23 -0.12 0.00 1.31 0.00 0.00 55.95 59.33 2jn6 s SER 25 Cb -0.09 -2.58 0.19 0.00 0.21 0.00 0.00 66.02 63.75 2jn6 s SER 25 CO -0.18 -1.93 1.74 0.25 0.41 0.00 0.00 173.24 173.53 2jn6 h LEU 26 N 0.01 0.16 -0.74 2.44 6.46 -1.99 -0.93 115.31 120.72 2jn6 h LEU 26 Ca -0.48 0.07 0.02 0.00 -0.12 0.00 0.00 57.88 57.37 2jn6 h LEU 26 Cb 1.28 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 41.22 2jn6 h LEU 26 CO 0.52 0.12 0.48 -0.61 -0.62 0.00 0.00 178.44 178.32 2jn6 h GLN 27 N 0.35 0.92 -0.91 1.25 5.75 -1.96 -2.30 115.11 118.20 2jn6 h GLN 27 Ca 0.25 -0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.74 2jn6 h GLN 27 Cb 0.28 -0.21 -0.05 0.00 1.07 0.00 0.00 27.48 28.57 2jn6 h GLN 27 CO -0.26 0.61 0.60 0.37 -2.65 0.00 0.00 178.83 177.49 2jn6 h GLN 28 N 0.95 1.08 0.59 1.69 5.75 -1.55 0.55 115.11 124.17 2jn6 h GLN 28 Ca 0.29 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.69 2jn6 h GLN 28 Cb -0.03 -0.24 0.01 0.00 1.07 0.00 0.00 27.48 28.28 2jn6 h GLN 28 CO -0.09 0.72 -0.28 0.82 -2.65 0.00 0.00 178.83 177.34 2jn6 h ILE 29 N 1.11 0.36 0.00 2.39 1.08 -0.83 -1.93 117.51 119.71 2jn6 h ILE 29 Ca 0.37 -0.20 -0.05 0.00 -0.39 0.00 0.00 64.86 64.59 2jn6 h ILE 29 Cb 0.06 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.24 2jn6 h ILE 29 CO -0.12 0.03 -0.23 0.00 -0.69 0.00 0.00 178.15 177.14 2jn6 h ALA 30 N -0.61 1.52 -0.60 1.87 0.00 -1.10 -2.48 119.26 117.87 2jn6 h ALA 30 Ca -0.08 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2jn6 h ALA 30 Cb 0.65 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2jn6 h ALA 30 CO 0.13 0.29 0.15 -0.97 0.00 0.00 0.00 179.25 178.84 2jn6 h ASN 31 N 0.00 0.90 -0.41 0.00 -0.73 0.25 0.21 115.58 115.80 2jn6 h ASN 31 Ca -0.00 -0.23 -0.11 0.00 1.87 0.00 0.00 56.30 57.82 2jn6 h ASN 31 Cb 0.43 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.77 2jn6 h ASN 31 CO 0.03 0.90 -0.15 -0.78 -0.37 0.00 0.00 177.43 177.06 2jn6 h ASP 32 N 0.86 0.89 1.05 1.15 1.82 -0.90 -2.64 116.42 118.65 2jn6 h ASP 32 Ca 0.19 -0.30 -0.09 0.00 -0.39 0.00 0.00 57.03 56.44 2jn6 h ASP 32 Cb 0.35 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.11 2jn6 h ASP 32 CO 0.00 1.04 -0.42 -0.07 -1.61 0.00 0.00 179.24 178.18 2jn6 h LEU 33 N 0.78 0.00 0.00 2.28 4.07 -1.24 -3.47 115.31 117.73 2jn6 h LEU 33 Ca 0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.08 2jn6 h LEU 33 Cb 0.68 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.42 2jn6 h LEU 33 CO 0.05 0.42 0.00 0.61 -1.08 0.00 0.00 178.44 178.44 2jn6 n GLY 34 N 0.56 0.70 3.70 0.83 0.00 0.60 -5.07 105.19 106.50 2jn6 n GLY 34 Ca 0.00 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 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 1.76 0.54 -0.61 -4.36 -0.42 -5.02 121.20 111.09 2jn6 s ILE 35 Ca 0.00 -1.93 -0.19 0.00 -0.26 0.00 0.00 60.65 58.27 2jn6 s ILE 35 Cb 0.00 -2.69 -0.06 0.00 1.25 0.00 0.00 42.46 40.96 2jn6 s ILE 35 CO 0.00 0.00 1.08 0.21 0.24 0.00 0.00 174.94 176.47 2jn6 s ASN 36 N -3.82 5.90 0.44 4.36 3.84 -1.26 -4.36 114.94 120.05 2jn6 s ASN 36 Ca 0.26 2.01 0.16 0.00 0.21 0.00 0.00 52.86 55.50 2jn6 s ASN 36 Cb 0.06 -2.56 1.00 0.00 -0.55 0.00 0.00 41.25 39.20 2jn6 s ASN 36 CO 0.14 -1.09 1.96 0.08 -2.79 0.00 0.00 177.10 175.41 2jn6 h ARG 37 N 1.10 0.00 -0.18 0.43 0.11 -1.93 -2.14 114.38 111.78 2jn6 h ARG 37 Ca -0.49 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.38 2jn6 h ARG 37 Cb 1.24 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.32 2jn6 h ARG 37 CO 0.57 0.22 -0.72 0.28 0.10 0.00 0.00 179.97 180.43 2jn6 h VAL 38 N 0.00 1.29 -0.69 0.08 2.07 -1.98 -1.46 116.25 115.55 2jn6 h VAL 38 Ca -0.00 -1.93 0.06 0.00 0.82 0.00 0.00 66.70 65.65 2jn6 h VAL 38 Cb 0.41 1.91 -0.06 0.00 -1.52 0.00 0.00 31.29 32.03 2jn6 h VAL 38 CO 0.03 0.61 0.39 0.74 0.02 0.00 0.00 177.57 179.36 2jn6 h THR 39 N 0.54 0.97 0.24 2.57 2.02 -1.78 0.31 112.91 117.78 2jn6 h THR 39 Ca -0.03 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 2jn6 h THR 39 Cb 1.33 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2jn6 h THR 39 CO 0.15 0.13 -0.12 0.25 0.37 0.00 0.00 175.52 176.30 2jn6 h LEU 40 N 0.71 -0.27 -0.70 2.58 5.85 -1.35 -2.80 115.31 119.33 2jn6 h LEU 40 Ca 0.31 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 59.03 2jn6 h LEU 40 Cb 0.19 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 2jn6 h LEU 40 CO -0.18 -0.11 0.39 0.50 -0.34 0.00 0.00 178.44 178.70 2jn6 h LYS 41 N -0.43 0.69 -0.71 1.25 3.64 -0.75 -1.29 116.57 118.98 2jn6 h LYS 41 Ca -0.03 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.36 2jn6 h LYS 41 Cb 0.32 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 2jn6 h LYS 41 CO 0.05 0.46 0.46 -0.91 -2.27 0.00 0.00 179.45 177.24 2jn6 h ASN 42 N 0.71 0.66 -0.10 4.20 4.21 -0.34 0.13 115.58 125.04 2jn6 h ASN 42 Ca 0.32 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.80 2jn6 h ASN 42 Cb 0.21 -0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 37.27 2jn6 h ASN 42 CO -0.19 0.43 -0.06 -0.50 -1.29 0.00 0.00 177.43 175.82 2jn6 h TRP 43 N 0.75 0.26 -0.11 1.19 6.55 -1.00 -3.10 115.95 120.50 2jn6 h TRP 43 Ca 0.30 -0.07 0.02 0.00 0.95 0.00 0.00 58.89 60.09 2jn6 h TRP 43 Cb 0.22 -0.06 -0.02 0.00 -0.86 0.00 0.00 29.16 28.45 2jn6 h TRP 43 CO -0.00 0.59 -0.01 0.82 -1.05 0.00 0.00 178.44 178.79 2jn6 h ILE 44 N -0.14 0.92 -0.39 1.49 2.04 -0.38 0.37 117.51 121.40 2jn6 h ILE 44 Ca 0.02 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.87 2jn6 h ILE 44 Cb 0.53 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 2jn6 h ILE 44 CO 0.02 0.01 0.25 0.40 0.00 0.00 0.00 178.15 178.83 2jn6 h ILE 45 N 0.03 1.10 0.11 -0.67 2.04 -0.88 0.33 117.51 119.58 2jn6 h ILE 45 Ca 0.05 -0.20 -0.22 0.00 1.00 0.00 0.00 64.86 65.49 2jn6 h ILE 45 Cb 0.07 0.53 0.01 0.00 -0.74 0.00 0.00 36.82 36.68 2jn6 h ILE 45 CO -0.09 0.10 -1.06 0.50 0.00 0.00 0.00 178.15 177.60 2jn6 h LYS 46 N 0.54 0.24 0.02 2.37 3.64 -1.34 -3.21 116.57 118.82 2jn6 h LYS 46 Ca 0.14 -0.41 -0.27 0.00 -1.27 0.00 0.00 60.65 58.85 2jn6 h LYS 46 Cb -0.05 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 2jn6 h LYS 46 CO -0.03 1.20 -1.46 1.88 -2.27 0.00 0.00 179.45 178.77 2jn6 h TYR 47 N -0.41 0.06 -0.72 1.91 -1.99 -0.87 -3.35 116.97 111.61 2jn6 h TYR 47 Ca -0.22 -0.04 -0.34 0.00 2.00 0.00 0.00 58.73 60.13 2jn6 h TYR 47 Cb 1.64 -0.00 -0.20 0.00 2.00 0.00 0.00 36.73 40.16 2jn6 h TYR 47 CO 0.16 1.06 0.33 0.41 -0.00 0.00 0.00 178.16 180.12 2jn6 n GLY 48 N 1.51 4.49 0.12 3.88 0.00 0.12 -4.42 105.19 110.88 2jn6 n GLY 48 Ca -0.12 -1.12 -0.18 0.00 0.00 0.00 0.00 46.02 44.60 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 1.29 0.57 0.00 1.61 0.87 -1.68 -3.47 113.55 112.74 2jn6 h SER 49 Ca 0.42 -0.59 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2jn6 h SER 49 Cb 2.34 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 64.11 2jn6 h SER 49 CO 0.78 1.46 0.00 -3.20 -0.53 0.00 0.00 176.83 175.34 2jn6 n ASN 50 N -3.61 0.00 -3.12 6.23 5.15 -1.26 -3.80 115.26 114.84 2jn6 n ASN 50 Ca -0.11 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.78 2jn6 n ASN 50 Cb 1.03 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 40.25 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 -0.91 -0.96 1.20 3.76 -1.26 -5.02 115.29 112.10 2jn6 s HIS 51 Ca 0.00 -0.69 -0.01 0.00 -0.15 0.00 0.00 55.06 54.21 2jn6 s HIS 51 Cb 0.00 -0.05 0.33 0.00 1.11 0.00 0.00 32.58 33.97 2jn6 s HIS 51 CO 0.00 -1.11 1.90 -1.71 -0.85 0.00 0.00 174.74 172.97 2jn6 n ASN 52 N 3.63 7.40 -0.04 1.40 5.15 -1.25 -4.67 115.26 126.88 2jn6 n ASN 52 Ca 0.16 -3.75 -0.13 0.00 -0.60 0.00 0.00 54.58 50.27 2jn6 n ASN 52 Cb 0.52 -1.13 -0.11 0.00 -0.53 0.00 0.00 39.78 38.53 2jn6 n ASN 52 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 2jn6 h VAL 53 N 2.14 1.54 -3.53 3.44 3.04 -1.95 -3.41 116.25 117.52 2jn6 h VAL 53 Ca 0.55 -1.79 -0.70 0.00 -1.01 0.00 0.00 66.70 63.75 2jn6 h VAL 53 Cb 0.21 2.72 -0.32 0.00 -2.01 0.00 0.00 31.29 31.89 2jn6 h VAL 53 CO 1.27 0.45 -0.55 -1.10 -1.01 0.00 0.00 177.57 176.63 2jn6 s GLN 54 N -3.03 2.26 0.00 4.17 1.11 -1.26 -5.02 119.66 117.88 2jn6 s GLN 54 Ca -0.17 -1.61 0.00 0.00 0.01 0.00 0.00 55.36 53.59 2jn6 s GLN 54 Cb -0.01 -3.56 0.00 0.00 -1.01 0.00 0.00 33.01 28.43 2jn6 s GLN 54 CO 0.65 -0.95 0.00 0.41 0.01 0.00 0.00 175.29 175.41 2jn6 n GLY 55 N 4.69 0.55 2.88 3.09 0.00 -1.26 -5.09 105.19 110.06 2jn6 n GLY 55 Ca -0.07 0.61 -0.01 0.00 0.00 0.00 0.00 46.02 46.55 2jn6 n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jn6 n THR 56 N 0.00 -7.74 -3.60 2.61 -2.24 -1.26 -4.97 114.28 97.08 2jn6 n THR 56 Ca 0.00 1.40 -0.40 0.00 -2.27 0.00 0.00 64.05 62.78 2jn6 n THR 56 Cb 0.00 -5.07 -0.09 0.00 -2.10 0.00 0.00 70.33 63.07 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 -0.99 4.02 0.14 4.28 -4.23 -1.26 -4.93 115.64 112.67 2jn6 s THR 57 Ca -0.06 -1.80 0.35 0.00 -1.18 0.00 0.00 61.69 58.99 2jn6 s THR 57 Cb 0.00 -3.65 0.39 0.00 1.34 0.00 0.00 72.50 70.58 2jn6 s THR 57 CO 0.45 -0.73 2.02 -0.65 -0.54 0.00 0.00 174.62 175.17 2jn6 h PRO 58 N 8.37 0.00 -0.27 3.99 0.11 -2.01 -3.00 132.00 139.19 2jn6 h PRO 58 Ca -0.20 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.86 2jn6 h PRO 58 Cb 1.07 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2jn6 h PRO 58 CO 0.82 0.00 -0.07 0.66 -0.21 0.00 0.00 178.00 179.20 2jn6 h SER 59 N 0.00 0.42 0.41 -2.05 4.64 -2.02 -2.34 113.55 112.61 2jn6 h SER 59 Ca 0.00 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.14 2jn6 h SER 59 Cb 0.39 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2jn6 h SER 59 CO 0.00 0.54 -0.43 0.00 -0.87 0.00 0.00 176.83 176.06 2jn6 h ALA 60 N 1.51 1.26 -0.00 5.18 0.00 -1.96 -2.61 119.26 122.64 2jn6 h ALA 60 Ca 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2jn6 h ALA 60 Cb 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2jn6 h ALA 60 CO 0.02 0.55 -0.01 0.00 0.00 0.00 0.00 179.25 179.81 2jn6 n ALA 61 N -2.46 2.66 -0.05 0.00 0.00 -0.88 -2.38 120.51 117.39 2jn6 n ALA 61 Ca -0.02 -0.23 -0.17 0.00 0.00 0.00 0.00 53.44 53.02 2jn6 n ALA 61 Cb 0.46 -1.46 -0.13 0.00 0.00 0.00 0.00 19.45 18.32 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 0.32 1.51 -0.02 0.00 2.07 -1.44 -3.25 116.25 115.45 2jn6 h VAL 62 Ca 0.00 -2.35 -0.24 0.00 0.82 0.00 0.00 66.70 64.93 2jn6 h VAL 62 Cb 0.11 3.07 0.01 0.00 -1.52 0.00 0.00 31.29 32.97 2jn6 h VAL 62 CO 0.00 0.57 -0.95 0.28 0.02 0.00 0.00 177.57 177.49 2jn6 h SER 63 N -0.85 0.70 0.35 0.57 0.02 -1.66 -3.16 113.55 109.52 2jn6 h SER 63 Ca -0.12 -0.55 -0.01 0.00 -0.84 0.00 0.00 61.79 60.27 2jn6 h SER 63 Cb 1.22 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.54 2jn6 h SER 63 CO -0.02 1.34 -0.05 -0.08 -1.14 0.00 0.00 176.83 176.89 2jn6 h GLU 64 N 0.32 0.00 -0.15 3.45 4.57 -1.64 -2.68 114.58 118.44 2jn6 h GLU 64 Ca -0.09 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 2jn6 h GLU 64 Cb 1.59 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.17 2jn6 h GLU 64 CO 0.18 0.05 0.03 0.00 -1.18 0.00 0.00 179.01 178.09 2jn6 h ALA 65 N 1.95 1.77 -0.41 2.92 0.00 -1.58 -1.05 119.26 122.85 2jn6 h ALA 65 Ca -0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2jn6 h ALA 65 Cb 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2jn6 h ALA 65 CO 0.01 0.18 -0.21 1.49 0.00 0.00 0.00 179.25 180.72 2jn6 h GLU 66 N 0.22 0.82 0.19 0.00 4.57 -1.67 0.18 114.58 118.89 2jn6 h GLU 66 Ca 0.05 -0.33 -0.28 0.00 -1.18 0.00 0.00 59.36 57.63 2jn6 h GLU 66 Cb 0.10 -0.04 0.03 0.00 -0.16 0.00 0.00 28.75 28.69 2jn6 h GLU 66 CO -0.00 0.96 -1.20 1.96 -1.18 0.00 0.00 179.01 179.55 2jn6 h GLN 67 N 0.72 0.48 -0.22 1.92 4.20 -1.61 -3.17 115.11 117.43 2jn6 h GLN 67 Ca 0.10 -0.77 -0.02 0.00 0.06 0.00 0.00 58.65 58.02 2jn6 h GLN 67 Cb 0.74 0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 2jn6 h GLN 67 CO 0.06 1.36 0.03 0.82 -0.67 0.00 0.00 178.83 180.43 2jn6 h ILE 68 N 0.01 1.13 -0.88 2.54 5.03 -1.17 -1.96 117.51 122.21 2jn6 h ILE 68 Ca -0.20 -0.47 0.14 0.00 -0.12 0.00 0.00 64.86 64.21 2jn6 h ILE 68 Cb 1.93 0.93 -0.07 0.00 -3.03 0.00 0.00 36.82 36.58 2jn6 h ILE 68 CO 0.23 0.16 0.57 -0.09 -0.68 0.00 0.00 178.15 178.33 2jn6 h ARG 69 N 0.32 0.68 0.01 2.37 2.43 -0.61 0.18 114.38 119.76 2jn6 h ARG 69 Ca 0.08 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2jn6 h ARG 69 Cb 0.17 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2jn6 h ARG 69 CO 0.00 0.45 -0.07 0.37 -1.51 0.00 0.00 179.97 179.21 2jn6 h GLN 70 N 0.70 0.03 0.00 0.20 -0.00 -1.39 -3.35 115.11 111.30 2jn6 h GLN 70 Ca 0.43 -0.04 -0.03 0.00 -0.00 0.00 0.00 58.65 59.01 2jn6 h GLN 70 Cb 0.67 0.02 -0.00 0.00 0.00 0.00 0.00 27.48 28.16 2jn6 h GLN 70 CO -0.19 0.99 -0.15 1.25 0.00 0.00 0.00 178.83 180.73 2jn6 h LEU 71 N -0.92 0.00 -0.80 -2.39 6.46 -1.16 -3.15 115.31 113.36 2jn6 h LEU 71 Ca -0.01 -0.92 -0.13 0.00 -0.12 0.00 0.00 57.88 56.70 2jn6 h LEU 71 Cb 1.03 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.94 2jn6 h LEU 71 CO 0.01 1.05 -0.58 0.50 -0.62 0.00 0.00 178.44 178.80 2jn6 h LYS 72 N -1.00 0.05 -4.04 1.25 3.64 -0.90 -3.37 116.57 112.20 2jn6 h LYS 72 Ca -0.04 -0.03 -0.59 0.00 -1.27 0.00 0.00 60.65 58.71 2jn6 h LYS 72 Cb 1.01 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 32.45 2jn6 h LYS 72 CO -0.03 0.62 -0.77 0.21 -2.27 0.00 0.00 179.45 177.22 2jn6 s LYS 73 N -3.71 1.19 -0.28 1.90 2.20 -1.24 -5.08 119.74 114.71 2jn6 s LYS 73 Ca -0.02 -1.04 -0.36 0.00 -0.36 0.00 0.00 55.97 54.20 2jn6 s LYS 73 Cb 0.13 -2.42 -0.12 0.00 -1.51 0.00 0.00 37.83 33.91 2jn6 s LYS 73 CO 0.77 -0.76 2.06 -0.85 -0.36 0.00 0.00 175.35 176.20 2jn6 n GLU 74 N 4.73 1.33 0.16 4.03 0.28 -1.25 -4.37 120.64 125.55 2jn6 n GLU 74 Ca -0.07 0.42 0.13 0.00 -0.16 0.00 0.00 57.16 57.48 2jn6 n GLU 74 Cb 0.44 -2.47 0.56 0.00 1.43 0.00 0.00 31.44 31.39 2jn6 n GLU 74 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 2jn6 h ASN 75 N 11.04 0.00 -0.83 -1.84 -0.73 -1.77 -2.83 115.58 118.62 2jn6 h ASN 75 Ca -0.35 0.00 0.16 0.00 1.87 0.00 0.00 56.30 57.98 2jn6 h ASN 75 Cb 1.31 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 39.84 2jn6 h ASN 75 CO 0.99 0.00 0.55 0.00 -0.37 0.00 0.00 177.43 178.60 2jn6 h ALA 76 N 2.18 2.07 -0.66 1.57 0.00 -1.89 0.05 119.26 122.58 2jn6 h ALA 76 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2jn6 h ALA 76 Cb 0.30 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2jn6 h ALA 76 CO 0.00 -0.31 0.19 -0.07 0.00 0.00 0.00 179.25 179.06 2jn6 h LEU 77 N 0.48 0.96 -0.63 0.00 3.38 -1.89 -1.38 115.31 116.24 2jn6 h LEU 77 Ca 0.42 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 2jn6 h LEU 77 Cb 0.91 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2jn6 h LEU 77 CO -0.16 0.91 -0.05 -0.61 0.09 0.00 0.00 178.44 178.63 2jn6 h GLN 78 N 0.99 1.03 0.00 1.13 -0.00 -1.22 -2.71 115.11 114.33 2jn6 h GLN 78 Ca 0.21 -0.35 -0.02 0.00 -0.00 0.00 0.00 58.65 58.50 2jn6 h GLN 78 Cb 0.31 -0.08 -0.00 0.00 0.00 0.00 0.00 27.48 27.70 2jn6 h GLN 78 CO -0.00 1.04 -0.08 0.00 0.00 0.00 0.00 178.83 179.78 2jn6 h ARG 79 N 0.93 0.00 0.00 1.69 3.08 -0.89 -1.51 114.38 117.68 2jn6 h ARG 79 Ca 0.16 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.05 2jn6 h ARG 79 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 2jn6 h ARG 79 CO 0.04 0.08 -0.76 0.00 -1.07 0.00 0.00 179.97 178.25 2jn6 h ALA 80 N 1.92 0.54 0.00 0.04 0.00 -0.97 -3.08 119.26 117.71 2jn6 h ALA 80 Ca -0.00 -0.70 -0.18 0.00 0.00 0.00 0.00 54.91 54.04 2jn6 h ALA 80 Cb 0.66 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2jn6 h ALA 80 CO 0.01 0.96 -1.11 0.00 0.00 0.00 0.00 179.25 179.11 2jn6 h ARG 81 N 0.00 0.00 -0.21 0.00 3.08 -1.13 -3.27 114.38 112.85 2jn6 h ARG 81 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2jn6 h ARG 81 Cb 1.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.60 2jn6 h ARG 81 CO 0.10 0.52 0.00 2.41 -1.07 0.00 0.00 179.97 181.93 2jn6 n THR 82 N -3.10 0.27 -1.13 2.04 -1.04 -0.62 -5.03 114.28 105.67 2jn6 n THR 82 Ca -0.05 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 2jn6 n THR 82 Cb 0.86 0.39 0.00 0.00 -1.82 0.00 0.00 70.33 69.76 2jn6 n THR 82 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2jn6 n ARG 83 N 0.44 -3.23 -2.78 -2.82 0.63 -1.16 -4.83 116.66 102.90 2jn6 n ARG 83 Ca 0.16 2.41 -0.43 0.00 -0.92 0.00 0.00 57.85 59.07 2jn6 n ARG 83 Cb 0.35 -2.74 -0.04 0.00 0.45 0.00 0.00 32.46 30.48 2jn6 n ARG 83 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2jn6 s HIS 84 N -3.18 2.95 0.99 -0.14 3.76 -1.26 -4.89 115.29 113.52 2jn6 s HIS 84 Ca 0.00 0.55 -0.14 0.00 -0.15 0.00 0.00 55.06 55.32 2jn6 s HIS 84 Cb 0.00 -3.94 0.19 0.00 1.11 0.00 0.00 32.58 29.93 2jn6 s HIS 84 CO 0.00 -1.04 1.16 -1.25 -0.85 0.00 0.00 174.74 172.76 2jn6 s PRO 85 N 3.77 0.48 0.59 8.40 0.04 -1.26 -5.07 135.00 141.95 2jn6 s PRO 85 Ca 0.39 0.10 -0.01 0.00 0.04 0.00 0.00 61.00 61.52 2jn6 s PRO 85 Cb -0.10 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 32.70 2jn6 s PRO 85 CO 0.25 -2.60 0.83 0.00 0.04 0.00 0.00 177.00 175.52 2jn6 s ALA 86 N -3.31 3.72 0.13 8.56 0.00 -1.26 -4.85 121.76 124.75 2jn6 s ALA 86 Ca 0.67 -1.24 -0.26 0.00 0.00 0.00 0.00 51.96 51.14 2jn6 s ALA 86 Cb -0.12 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 2jn6 s ALA 86 CO 0.54 -0.89 1.62 0.93 0.00 0.00 0.00 175.76 177.96 2jn6 h GLU 87 N -0.10 -0.39 -0.39 0.00 3.07 -1.99 0.35 114.58 115.13 2jn6 h GLU 87 Ca -0.43 0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.42 2jn6 h GLU 87 Cb 1.30 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 29.28 2jn6 h GLU 87 CO 0.54 -0.26 0.06 0.77 -1.40 0.00 0.00 179.01 178.71 2jn6 h SER 88 N -0.41 0.55 0.70 1.42 0.02 -2.02 -2.41 113.55 111.41 2jn6 h SER 88 Ca 0.08 -0.09 -0.17 0.00 -0.84 0.00 0.00 61.79 60.77 2jn6 h SER 88 Cb 0.52 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 2jn6 h SER 88 CO -0.29 0.58 -0.79 0.00 -1.14 0.00 0.00 176.83 175.19 2jn6 h LEU 90 N 0.04 0.93 -0.28 0.00 5.85 0.16 -2.96 115.31 119.06 2jn6 h LEU 90 Ca -0.02 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2jn6 h LEU 90 Cb 1.39 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 2jn6 h LEU 90 CO 0.11 0.99 0.18 -0.08 -0.34 0.00 0.00 178.44 179.30 2jn6 h GLU 91 N 0.88 0.38 0.00 1.25 4.81 -1.52 -3.48 114.58 116.89 2jn6 h GLU 91 Ca 0.16 -0.03 0.21 0.00 -0.13 0.00 0.00 59.36 59.57 2jn6 h GLU 91 Cb 0.53 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.78 2jn6 h GLU 91 CO 0.03 0.27 -0.28 0.72 -0.73 0.00 0.00 179.01 179.02 2jn6 n HIS 92 N -4.88 -2.89 -2.74 0.92 8.25 -1.12 -5.01 115.22 107.76 2jn6 n HIS 92 Ca -0.02 0.97 -0.01 0.00 -0.26 0.00 0.00 57.72 58.41 2jn6 n HIS 92 Cb 0.04 -1.67 0.00 0.00 1.12 0.00 0.00 29.99 29.48 2jn6 n HIS 92 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jn6 n HIS 93 N -3.21 -3.96 0.00 4.41 -0.00 -1.26 -5.02 115.22 106.18 2jn6 n HIS 93 Ca 0.01 1.74 0.00 0.00 -0.00 0.00 0.00 57.72 59.47 2jn6 n HIS 93 Cb 0.36 -4.03 0.00 0.00 -0.00 0.00 0.00 29.99 26.32 2jn6 n HIS 93 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jn6 n HIS 94 N 0.60 -0.57 -1.09 1.57 8.25 -1.26 -5.17 115.22 117.56 2jn6 n HIS 94 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2jn6 n HIS 94 Cb 0.05 0.49 0.00 0.00 1.12 0.00 0.00 29.99 31.66 2jn6 n HIS 94 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jn6 n HIS 95 N -2.48 -2.87 -4.47 4.41 -0.00 -1.26 -5.07 115.22 103.47 2jn6 n HIS 95 Ca 0.00 1.51 -0.22 0.00 -0.00 0.00 0.00 57.72 59.00 2jn6 n HIS 95 Cb 0.00 -2.75 -0.11 0.00 -0.00 0.00 0.00 29.99 27.14 2jn6 n HIS 95 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2jn6 s HIS 96 N -2.06 2.05 0.00 1.57 -3.43 -1.26 -5.31 115.29 106.85 2jn6 s HIS 96 Ca 0.00 -0.79 0.00 0.00 -0.80 0.00 0.00 55.06 53.47 2jn6 s HIS 96 Cb 0.00 -1.29 0.00 0.00 -1.43 0.00 0.00 32.58 29.86 2jn6 s HIS 96 CO 0.00 0.20 0.06 1.58 -2.00 0.00 0.00 174.74 174.58