#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 3.03 0.07 0.03 0.04 -1.26 -5.11 135.00 131.79 2jn6 s PRO 2 Ca 0.00 -0.16 0.04 0.00 0.04 0.00 0.00 61.00 60.92 2jn6 s PRO 2 Cb 0.00 -2.38 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 2jn6 s PRO 2 CO 0.00 -0.50 -0.11 -0.08 0.04 0.00 0.00 177.00 176.34 2jn6 s THR 3 N -2.81 0.88 -0.30 1.26 -1.32 -1.26 -5.12 115.64 106.97 2jn6 s THR 3 Ca 0.51 -1.28 -0.07 0.00 -1.21 0.00 0.00 61.69 59.64 2jn6 s THR 3 Cb -0.10 -0.95 0.19 0.00 -1.51 0.00 0.00 72.50 70.12 2jn6 s THR 3 CO 0.43 -0.33 0.92 -0.75 -2.21 0.00 0.00 174.62 172.67 2jn6 s LYS 4 N -1.85 0.27 0.05 7.08 2.36 -1.26 -5.17 119.74 121.22 2jn6 s LYS 4 Ca -0.04 0.31 0.01 0.00 -2.55 0.00 0.00 55.97 53.71 2jn6 s LYS 4 Cb -0.09 0.15 -0.03 0.00 -1.05 0.00 0.00 37.83 36.81 2jn6 s LYS 4 CO 0.01 -0.45 -0.05 0.99 1.55 0.00 0.00 175.35 177.40 2jn6 s THR 5 N 2.92 0.42 -0.20 3.43 2.01 -1.26 -5.13 115.64 117.82 2jn6 s THR 5 Ca 0.18 -1.44 -0.04 0.00 0.31 0.00 0.00 61.69 60.70 2jn6 s THR 5 Cb -0.06 -1.02 0.07 0.00 0.01 0.00 0.00 72.50 71.50 2jn6 s THR 5 CO -0.21 -0.68 0.09 -0.31 -0.69 0.00 0.00 174.62 172.82 2jn6 s TYR 6 N -2.56 0.38 0.68 4.92 2.02 -1.26 -5.15 117.35 116.38 2jn6 s TYR 6 Ca -0.02 -0.55 -0.11 0.00 -0.37 0.00 0.00 57.07 56.02 2jn6 s TYR 6 Cb -0.02 -0.81 -0.00 0.00 -0.40 0.00 0.00 41.96 40.73 2jn6 s TYR 6 CO -0.04 -0.60 1.07 -1.54 -1.57 0.00 0.00 175.55 172.87 2jn6 s SER 7 N 2.08 5.62 0.20 2.29 1.04 -1.26 -4.98 113.70 118.70 2jn6 s SER 7 Ca 0.03 1.31 -0.07 0.00 0.48 0.00 0.00 55.95 57.71 2jn6 s SER 7 Cb -0.16 -2.21 0.14 0.00 0.10 0.00 0.00 66.02 63.89 2jn6 s SER 7 CO -0.15 -1.25 1.65 -0.33 0.98 0.00 0.00 173.24 174.13 2jn6 h GLU 8 N -0.59 0.93 -1.00 4.02 5.08 -2.01 -2.98 114.58 118.04 2jn6 h GLU 8 Ca -0.45 -0.32 0.07 0.00 -1.00 0.00 0.00 59.36 57.66 2jn6 h GLU 8 Cb 1.23 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.34 2jn6 h GLU 8 CO 0.62 0.98 0.65 0.93 -1.00 0.00 0.00 179.01 181.19 2jn6 h GLU 9 N 0.84 1.13 -0.43 2.33 3.07 -1.97 0.68 114.58 120.22 2jn6 h GLU 9 Ca 0.14 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 2jn6 h GLU 9 Cb 0.63 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 2jn6 h GLU 9 CO 0.04 0.75 0.23 0.35 -1.40 0.00 0.00 179.01 178.98 2jn6 h PHE 10 N 1.16 0.60 0.01 4.33 3.57 -1.91 -0.78 116.94 123.92 2jn6 h PHE 10 Ca 0.43 -0.02 -0.26 0.00 3.53 0.00 0.00 57.97 61.66 2jn6 h PHE 10 Cb 0.18 -0.19 0.02 0.00 2.79 0.00 0.00 35.95 38.75 2jn6 h PHE 10 CO -0.00 0.46 -1.02 0.87 -2.23 0.00 0.00 178.31 176.39 2jn6 h LYS 11 N 0.56 0.67 -0.66 1.11 1.57 -1.31 -3.06 116.57 115.46 2jn6 h LYS 11 Ca 0.15 -0.74 0.04 0.00 -1.87 0.00 0.00 60.65 58.23 2jn6 h LYS 11 Cb 0.06 0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 2jn6 h LYS 11 CO -0.02 1.32 0.40 0.00 -0.57 0.00 0.00 179.45 180.57 2jn6 h ARG 12 N 0.33 0.75 -0.73 3.15 3.08 0.47 -0.93 114.38 120.50 2jn6 h ARG 12 Ca -0.13 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.83 2jn6 h ARG 12 Cb 1.69 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 31.53 2jn6 h ARG 12 CO 0.20 0.49 0.30 0.22 -1.07 0.00 0.00 179.97 180.12 2jn6 h ASP 13 N 0.77 1.00 -0.58 7.04 3.58 -1.21 0.18 116.42 127.20 2jn6 h ASP 13 Ca 0.27 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 2jn6 h ASP 13 Cb 0.07 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.83 2jn6 h ASP 13 CO -0.13 0.89 0.31 0.00 -2.88 0.00 0.00 179.24 177.43 2jn6 h ALA 14 N 1.15 0.74 -0.41 -0.78 0.00 -1.28 0.25 119.26 118.93 2jn6 h ALA 14 Ca 0.24 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 2jn6 h ALA 14 Cb 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2jn6 h ALA 14 CO -0.02 0.27 -0.27 0.28 0.00 0.00 0.00 179.25 179.51 2jn6 h VAL 15 N 0.78 1.28 -0.26 0.00 2.07 -0.83 -1.98 116.25 117.31 2jn6 h VAL 15 Ca 0.20 -1.43 -0.08 0.00 0.82 0.00 0.00 66.70 66.21 2jn6 h VAL 15 Cb 0.05 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2jn6 h VAL 15 CO -0.03 0.48 -0.19 0.00 0.02 0.00 0.00 177.57 177.85 2jn6 h ALA 16 N 0.80 1.18 -0.08 1.67 0.00 -0.38 -2.06 119.26 120.40 2jn6 h ALA 16 Ca 0.08 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 2jn6 h ALA 16 Cb 0.85 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2jn6 h ALA 16 CO 0.07 0.52 -0.46 1.25 0.00 0.00 0.00 179.25 180.64 2jn6 h LEU 17 N 0.43 0.20 -1.45 0.00 5.85 -0.38 -2.38 115.31 117.56 2jn6 h LEU 17 Ca 0.07 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 2jn6 h LEU 17 Cb 0.58 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2jn6 h LEU 17 CO 0.04 0.63 -0.28 0.22 -0.34 0.00 0.00 178.44 178.71 2jn6 h TYR 18 N 0.15 0.00 0.00 1.25 3.20 -0.66 -0.93 116.97 119.98 2jn6 h TYR 18 Ca 0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2jn6 h TYR 18 Cb 0.87 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.14 2jn6 h TYR 18 CO 0.01 0.28 0.00 0.93 -1.64 0.00 0.00 178.16 177.74 2jn6 h GLU 19 N 0.00 0.00 -0.52 1.82 5.08 -1.00 -1.94 114.58 118.01 2jn6 h GLU 19 Ca -0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 2jn6 h GLU 19 Cb 0.53 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.60 2jn6 h GLU 19 CO 0.04 0.00 0.05 0.09 -1.00 0.00 0.00 179.01 178.19 2jn6 n ASN 20 N -3.07 3.09 0.13 1.42 3.02 -0.37 -4.74 115.26 114.75 2jn6 n ASN 20 Ca -0.01 -3.77 0.09 0.00 -0.03 0.00 0.00 54.58 50.87 2jn6 n ASN 20 Cb 0.22 -0.68 0.47 0.00 -0.61 0.00 0.00 39.78 39.19 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 -1.10 0.47 0.11 6.41 3.41 -0.73 -1.18 113.62 121.01 2jn6 n SER 21 Ca 0.40 0.70 0.12 0.00 -0.26 0.00 0.00 58.87 59.84 2jn6 n SER 21 Cb 1.13 -0.77 0.62 0.00 -0.26 0.00 0.00 64.21 64.93 2jn6 n SER 21 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2jn6 h ASP 22 N 0.00 0.08 0.25 4.04 5.19 -1.85 -1.63 116.42 122.50 2jn6 h ASP 22 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2jn6 h ASP 22 Cb 0.06 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.56 2jn6 h ASP 22 CO 0.00 0.05 -1.08 0.61 -3.12 0.00 0.00 179.24 175.71 2jn6 n GLY 23 N -1.57 -1.12 3.26 2.75 0.00 -0.33 -4.87 105.19 103.31 2jn6 n GLY 23 Ca 0.03 -0.48 0.02 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.15 -2.10 1.02 4.61 0.00 -0.62 -5.13 121.76 116.39 2jn6 s ALA 24 Ca 0.04 1.90 -0.12 0.00 0.00 0.00 0.00 51.96 53.78 2jn6 s ALA 24 Cb 0.15 -2.02 0.20 0.00 0.00 0.00 0.00 23.12 21.45 2jn6 s ALA 24 CO 0.83 -1.21 1.08 -1.12 0.00 0.00 0.00 175.76 175.33 2jn6 s SER 25 N 2.84 2.23 0.19 0.00 0.01 -1.19 -4.10 113.70 113.68 2jn6 s SER 25 Ca 0.13 1.68 -0.14 0.00 1.31 0.00 0.00 55.95 58.93 2jn6 s SER 25 Cb -0.14 -2.32 0.19 0.00 0.21 0.00 0.00 66.02 63.95 2jn6 s SER 25 CO -0.20 -3.45 1.65 0.25 0.41 0.00 0.00 173.24 171.91 2jn6 h LEU 26 N -2.10 -0.41 -1.23 2.44 5.85 -1.96 0.66 115.31 118.55 2jn6 h LEU 26 Ca -0.53 0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.28 2jn6 h LEU 26 Cb 1.30 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 2jn6 h LEU 26 CO 0.49 -0.15 -0.10 -0.61 -0.34 0.00 0.00 178.44 177.74 2jn6 h GLN 27 N 0.03 0.41 -0.43 1.25 5.75 -1.98 -2.14 115.11 117.99 2jn6 h GLN 27 Ca 0.26 -0.10 -0.11 0.00 -0.15 0.00 0.00 58.65 58.55 2jn6 h GLN 27 Cb 0.40 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 2jn6 h GLN 27 CO -0.51 0.52 -0.17 0.37 -2.65 0.00 0.00 178.83 176.39 2jn6 h GLN 28 N 0.38 0.82 0.46 1.69 5.75 -1.28 0.99 115.11 123.92 2jn6 h GLN 28 Ca 0.08 -0.31 -0.02 0.00 -0.15 0.00 0.00 58.65 58.25 2jn6 h GLN 28 Cb 0.42 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.92 2jn6 h GLN 28 CO 0.02 0.93 -0.22 0.82 -2.65 0.00 0.00 178.83 177.73 2jn6 h ILE 29 N 0.72 0.54 0.00 2.39 1.08 -0.48 -1.00 117.51 120.77 2jn6 h ILE 29 Ca 0.11 -0.02 -0.02 0.00 -0.39 0.00 0.00 64.86 64.54 2jn6 h ILE 29 Cb 0.68 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 34.98 2jn6 h ILE 29 CO 0.05 0.00 -0.10 0.00 -0.69 0.00 0.00 178.15 177.41 2jn6 h ALA 30 N -0.09 1.82 -0.19 1.87 0.00 -1.28 -1.36 119.26 120.02 2jn6 h ALA 30 Ca -0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2jn6 h ALA 30 Cb 0.48 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2jn6 h ALA 30 CO 0.10 0.13 -0.03 -0.97 0.00 0.00 0.00 179.25 178.48 2jn6 h ASN 31 N 0.00 0.36 -0.41 0.00 -0.73 -0.37 0.77 115.58 115.21 2jn6 h ASN 31 Ca -0.00 -0.35 -0.15 0.00 1.87 0.00 0.00 56.30 57.66 2jn6 h ASN 31 Cb 0.18 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.67 2jn6 h ASN 31 CO 0.01 0.62 -0.35 -0.78 -0.37 0.00 0.00 177.43 176.56 2jn6 h ASP 32 N 0.08 1.01 0.94 1.15 3.58 -0.79 -2.50 116.42 119.90 2jn6 h ASP 32 Ca 0.05 -0.45 0.00 0.00 0.42 0.00 0.00 57.03 57.05 2jn6 h ASP 32 Cb 0.46 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2jn6 h ASP 32 CO 0.02 1.25 0.00 -0.07 -2.88 0.00 0.00 179.24 177.56 2jn6 h LEU 33 N 0.79 0.00 -1.11 2.28 -0.00 -1.22 -3.47 115.31 112.59 2jn6 h LEU 33 Ca 0.07 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.80 2jn6 h LEU 33 Cb 0.94 0.00 0.06 0.00 -0.00 0.00 0.00 40.66 41.66 2jn6 h LEU 33 CO 0.09 0.00 -0.28 0.61 -0.00 0.00 0.00 178.44 178.86 2jn6 n GLY 34 N 0.09 0.31 3.18 0.83 0.00 0.07 -5.04 105.19 104.63 2jn6 n GLY 34 Ca 0.02 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.13 0.77 0.50 -0.61 -4.36 -0.08 -5.04 121.20 109.25 2jn6 s ILE 35 Ca 0.19 -1.96 -0.23 0.00 -0.26 0.00 0.00 60.65 58.39 2jn6 s ILE 35 Cb -0.09 -1.72 -0.06 0.00 1.25 0.00 0.00 42.46 41.84 2jn6 s ILE 35 CO 0.29 -0.85 1.37 0.21 0.24 0.00 0.00 174.94 176.20 2jn6 s ASN 36 N -3.07 5.61 0.31 4.36 3.84 -1.26 -4.43 114.94 120.30 2jn6 s ASN 36 Ca 0.13 2.78 0.01 0.00 0.21 0.00 0.00 52.86 55.99 2jn6 s ASN 36 Cb 0.05 -2.64 0.54 0.00 -0.55 0.00 0.00 41.25 38.65 2jn6 s ASN 36 CO -0.04 -1.34 1.92 -0.09 -2.79 0.00 0.00 177.10 174.76 2jn6 h ARG 37 N 1.89 0.98 -0.56 0.43 2.43 -1.95 -0.63 114.38 116.97 2jn6 h ARG 37 Ca -0.51 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 58.56 2jn6 h ARG 37 Cb 1.28 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 2jn6 h ARG 37 CO 0.59 0.65 0.17 0.28 -1.51 0.00 0.00 179.97 180.15 2jn6 h VAL 38 N 1.01 1.24 -0.50 0.20 2.07 -1.99 -1.30 116.25 116.99 2jn6 h VAL 38 Ca 0.37 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 2jn6 h VAL 38 Cb 0.16 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2jn6 h VAL 38 CO -0.13 0.31 0.16 0.74 0.02 0.00 0.00 177.57 178.66 2jn6 h THR 39 N 0.79 1.23 -0.14 2.57 2.02 -1.66 -0.93 112.91 116.78 2jn6 h THR 39 Ca 0.18 -0.76 0.02 0.00 0.77 0.00 0.00 66.41 66.62 2jn6 h THR 39 Cb 0.30 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 2jn6 h THR 39 CO -0.00 0.28 0.02 0.25 0.37 0.00 0.00 175.52 176.43 2jn6 h LEU 40 N 0.67 -0.01 -0.82 2.58 5.85 -0.97 -2.67 115.31 119.94 2jn6 h LEU 40 Ca 0.16 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2jn6 h LEU 40 Cb 0.27 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 2jn6 h LEU 40 CO -0.01 0.02 0.53 0.50 -0.34 0.00 0.00 178.44 179.14 2jn6 h LYS 41 N 0.07 1.09 -0.84 1.25 3.64 -1.01 -0.96 116.57 119.81 2jn6 h LYS 41 Ca 0.06 -0.07 0.13 0.00 -1.27 0.00 0.00 60.65 59.50 2jn6 h LYS 41 Cb 0.06 -0.24 -0.06 0.00 -0.41 0.00 0.00 32.23 31.58 2jn6 h LYS 41 CO -0.09 0.73 0.55 -0.91 -2.27 0.00 0.00 179.45 177.46 2jn6 h ASN 42 N 1.11 0.61 0.00 4.20 2.35 -0.87 0.27 115.58 123.26 2jn6 h ASN 42 Ca 0.30 0.03 -0.16 0.00 -0.55 0.00 0.00 56.30 55.92 2jn6 h ASN 42 Cb -0.11 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.19 2jn6 h ASN 42 CO -0.06 0.32 -0.64 -0.50 -1.65 0.00 0.00 177.43 174.90 2jn6 h TRP 43 N 0.65 0.63 -0.67 1.19 6.55 -0.97 -2.79 115.95 120.55 2jn6 h TRP 43 Ca 0.41 -0.35 0.02 0.00 0.95 0.00 0.00 58.89 59.92 2jn6 h TRP 43 Cb 0.67 -0.07 -0.04 0.00 -0.86 0.00 0.00 29.16 28.87 2jn6 h TRP 43 CO -0.00 1.17 0.43 0.82 -1.05 0.00 0.00 178.44 179.81 2jn6 h ILE 44 N -0.08 1.13 0.18 1.49 2.04 -0.29 0.11 117.51 122.09 2jn6 h ILE 44 Ca -0.08 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 2jn6 h ILE 44 Cb 1.35 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 2jn6 h ILE 44 CO 0.13 0.16 -0.09 0.40 0.00 0.00 0.00 178.15 178.75 2jn6 h ILE 45 N 0.86 0.86 0.24 -0.67 2.04 -0.57 0.45 117.51 120.72 2jn6 h ILE 45 Ca 0.26 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 2jn6 h ILE 45 Cb -0.05 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2jn6 h ILE 45 CO -0.08 0.03 -0.12 0.50 0.00 0.00 0.00 178.15 178.48 2jn6 h LYS 46 N -0.30 -0.32 0.00 2.37 3.64 -1.23 -2.21 116.57 118.52 2jn6 h LYS 46 Ca -0.02 0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 2jn6 h LYS 46 Cb 0.23 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2jn6 h LYS 46 CO 0.04 0.02 -0.80 1.88 -2.27 0.00 0.00 179.45 178.32 2jn6 h TYR 47 N -0.71 0.00 -0.33 1.91 -1.99 -0.86 0.57 116.97 115.56 2jn6 h TYR 47 Ca -0.03 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.53 2jn6 h TYR 47 Cb 0.48 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.21 2jn6 h TYR 47 CO 0.03 0.80 -0.44 0.78 -0.00 0.00 0.00 178.16 179.34 2jn6 h GLY 48 N 2.77 0.95 1.23 3.88 0.00 -0.98 -3.26 103.07 107.66 2jn6 h GLY 48 Ca -0.01 -1.04 -0.11 0.00 0.00 0.00 0.00 47.33 46.17 2jn6 h GLY 48 CO 0.10 0.93 -1.08 1.76 0.00 0.00 0.00 176.54 178.25 2jn6 h SER 49 N 0.66 0.00 0.00 0.19 0.02 -1.34 -3.49 113.55 109.60 2jn6 h SER 49 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2jn6 h SER 49 Cb 1.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2jn6 h SER 49 CO 0.10 0.41 0.00 -3.20 -1.14 0.00 0.00 176.83 173.00 2jn6 n ASN 50 N -2.92 0.00 0.00 3.07 2.85 0.20 -1.05 115.26 117.41 2jn6 n ASN 50 Ca -0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 2jn6 n ASN 50 Cb 0.74 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.76 2jn6 n ASN 50 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 2jn6 n HIS 51 N 0.00 0.00 -2.65 1.20 -0.00 -1.26 -4.78 115.22 107.73 2jn6 n HIS 51 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.29 2jn6 n HIS 51 Cb 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.01 2jn6 n HIS 51 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 2jn6 n ASN 52 N 0.00 5.25 -0.08 0.26 2.85 -0.21 -4.63 115.26 118.70 2jn6 n ASN 52 Ca 0.00 -3.08 -0.14 0.00 -0.11 0.00 0.00 54.58 51.25 2jn6 n ASN 52 Cb 0.34 -1.49 -0.10 0.00 1.24 0.00 0.00 39.78 39.77 2jn6 n ASN 52 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 2jn6 h VAL 53 N 4.03 1.12 0.00 3.44 -1.51 -1.95 -3.41 116.25 117.97 2jn6 h VAL 53 Ca 0.34 -1.99 -0.02 0.00 -1.23 0.00 0.00 66.70 63.81 2jn6 h VAL 53 Cb 0.72 2.26 -0.05 0.00 -2.13 0.00 0.00 31.29 32.10 2jn6 h VAL 53 CO 1.44 0.38 -0.35 0.00 -1.23 0.00 0.00 177.57 177.82 2jn6 n GLN 54 N -4.58 0.86 -2.49 5.19 3.00 -1.26 -5.00 117.38 113.10 2jn6 n GLN 54 Ca -0.15 -2.25 -0.39 0.00 -0.01 0.00 0.00 57.00 54.19 2jn6 n GLN 54 Cb 0.46 -1.09 -0.03 0.00 0.00 0.00 0.00 30.24 29.57 2jn6 n GLN 54 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2jn6 s GLY 55 N -2.37 1.16 -0.25 1.08 0.00 -1.26 -4.86 107.32 100.83 2jn6 s GLY 55 Ca 0.25 -2.27 -0.03 0.00 0.00 0.00 0.00 44.72 42.67 2jn6 s GLY 55 CO -0.02 2.81 0.21 -1.59 0.00 0.00 0.00 173.10 174.51 2jn6 s THR 56 N 5.62 -0.26 0.61 0.90 2.01 -1.26 -4.98 115.64 118.27 2jn6 s THR 56 Ca 0.51 -0.41 -0.14 0.00 0.31 0.00 0.00 61.69 61.96 2jn6 s THR 56 Cb -0.00 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.63 2jn6 s THR 56 CO -0.06 -0.43 1.05 0.42 -0.69 0.00 0.00 174.62 174.91 2jn6 s THR 57 N 2.26 3.99 -2.00 -0.82 -4.23 -1.26 -4.92 115.64 108.66 2jn6 s THR 57 Ca 0.08 0.85 0.04 0.00 -1.18 0.00 0.00 61.69 61.47 2jn6 s THR 57 Cb -0.15 -3.45 0.10 0.00 1.34 0.00 0.00 72.50 70.34 2jn6 s THR 57 CO -0.25 -0.65 0.73 -0.81 -0.54 0.00 0.00 174.62 173.10 2jn6 n PRO 58 N -2.29 0.55 0.29 3.99 -0.04 -1.26 -3.13 135.00 133.11 2jn6 n PRO 58 Ca 0.08 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.72 2jn6 n PRO 58 Cb 0.53 -1.10 0.83 0.00 -0.04 0.00 0.00 33.50 33.72 2jn6 n PRO 58 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2jn6 h SER 59 N 0.00 0.00 1.86 3.54 0.02 -2.03 -0.72 113.55 116.22 2jn6 h SER 59 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jn6 h SER 59 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2jn6 h SER 59 CO 0.00 0.03 0.00 0.00 -1.14 0.00 0.00 176.83 175.72 2jn6 h ALA 60 N 1.97 1.00 -0.06 3.77 0.00 -1.95 -3.25 119.26 120.74 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 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 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 -2.06 2.58 -0.21 0.00 0.00 -0.28 -3.74 120.51 116.79 2jn6 n ALA 61 Ca 0.04 -0.36 -0.08 0.00 0.00 0.00 0.00 53.44 53.04 2jn6 n ALA 61 Cb 0.50 -1.22 0.04 0.00 0.00 0.00 0.00 19.45 18.77 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 1.39 1.26 0.00 0.00 2.07 -1.63 0.01 116.25 119.35 2jn6 h VAL 62 Ca 0.00 -1.12 -0.09 0.00 0.82 0.00 0.00 66.70 66.31 2jn6 h VAL 62 Cb 0.30 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2jn6 h VAL 62 CO 0.00 0.41 -0.41 0.28 0.02 0.00 0.00 177.57 177.87 2jn6 h SER 63 N 0.98 0.00 0.11 0.57 0.02 -1.84 -2.76 113.55 110.63 2jn6 h SER 63 Ca 0.18 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.95 2jn6 h SER 63 Cb 0.53 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 2jn6 h SER 63 CO 0.03 0.41 -0.65 -0.08 -1.14 0.00 0.00 176.83 175.40 2jn6 h GLU 64 N 0.00 0.52 -0.68 3.45 4.57 -1.57 -3.20 114.58 117.67 2jn6 h GLU 64 Ca -0.00 -0.37 0.01 0.00 -1.18 0.00 0.00 59.36 57.81 2jn6 h GLU 64 Cb 0.78 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.40 2jn6 h GLU 64 CO 0.05 0.99 0.45 0.00 -1.18 0.00 0.00 179.01 179.33 2jn6 h ALA 65 N 0.91 1.52 -0.21 2.92 0.00 -0.71 0.51 119.26 124.20 2jn6 h ALA 65 Ca -0.02 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2jn6 h ALA 65 Cb 1.22 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2jn6 h ALA 65 CO 0.12 0.45 0.09 1.49 0.00 0.00 0.00 179.25 181.40 2jn6 h GLU 66 N 0.92 0.20 0.10 0.00 4.81 -1.54 0.61 114.58 119.68 2jn6 h GLU 66 Ca 0.25 -0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 59.21 2jn6 h GLU 66 Cb -0.10 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.23 2jn6 h GLU 66 CO -0.05 0.13 -1.17 -0.56 -0.73 0.00 0.00 179.01 176.62 2jn6 h GLN 67 N 0.20 0.27 -0.65 1.92 3.07 -1.57 -3.28 115.11 115.07 2jn6 h GLN 67 Ca 0.09 -0.43 -0.09 0.00 0.09 0.00 0.00 58.65 58.31 2jn6 h GLN 67 Cb 0.03 0.15 -0.02 0.00 0.08 0.00 0.00 27.48 27.72 2jn6 h GLN 67 CO -0.07 1.18 0.06 0.82 0.09 0.00 0.00 178.83 180.91 2jn6 h ILE 68 N 0.09 1.27 -1.00 1.86 2.04 -0.76 0.48 117.51 121.49 2jn6 h ILE 68 Ca -0.12 -1.10 0.13 0.00 1.00 0.00 0.00 64.86 64.77 2jn6 h ILE 68 Cb 1.89 0.70 -0.09 0.00 -0.74 0.00 0.00 36.82 38.58 2jn6 h ILE 68 CO 0.19 0.41 0.63 -0.09 0.00 0.00 0.00 178.15 179.29 2jn6 h ARG 69 N 1.02 0.90 0.01 2.37 2.43 -0.93 -1.07 114.38 119.11 2jn6 h ARG 69 Ca 0.19 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2jn6 h ARG 69 Cb 0.51 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2jn6 h ARG 69 CO 0.02 0.60 -0.09 0.37 -1.51 0.00 0.00 179.97 179.36 2jn6 h GLN 70 N 0.93 0.05 -0.62 0.20 4.15 -1.56 -3.33 115.11 114.94 2jn6 h GLN 70 Ca 0.51 -0.07 0.13 0.00 0.77 0.00 0.00 58.65 59.99 2jn6 h GLN 70 Cb 0.58 0.02 -0.11 0.00 0.21 0.00 0.00 27.48 28.18 2jn6 h GLN 70 CO -0.28 0.90 -0.04 1.25 -1.93 0.00 0.00 178.83 178.73 2jn6 h LEU 71 N -0.76 -0.35 -0.16 -2.39 6.46 -0.21 0.40 115.31 118.31 2jn6 h LEU 71 Ca -0.01 0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 2jn6 h LEU 71 Cb 0.93 0.30 0.00 0.00 -0.73 0.00 0.00 40.66 41.16 2jn6 h LEU 71 CO 0.02 -0.14 0.00 2.29 -0.62 0.00 0.00 178.44 179.99 2jn6 n LYS 72 N -5.32 1.10 -0.00 1.25 -0.00 -0.47 -3.47 118.16 111.25 2jn6 n LYS 72 Ca 0.09 -0.15 -0.00 0.00 -0.00 0.00 0.00 58.31 58.24 2jn6 n LYS 72 Cb 0.35 -1.33 -0.01 0.00 -0.00 0.00 0.00 35.03 34.04 2jn6 n LYS 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2jn6 n LYS 73 N -0.66 3.16 -1.97 -1.58 4.81 0.21 -5.06 118.16 117.08 2jn6 n LYS 73 Ca 0.15 -0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.27 2jn6 n LYS 73 Cb 0.11 -1.02 0.02 0.00 0.02 0.00 0.00 35.03 34.16 2jn6 n LYS 73 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2jn6 s GLU 74 N -2.02 3.28 0.17 1.64 2.12 0.12 -5.07 118.70 118.93 2jn6 s GLU 74 Ca -0.00 1.13 0.02 0.00 0.36 0.00 0.00 54.97 56.48 2jn6 s GLU 74 Cb 0.00 -2.03 -0.05 0.00 0.26 0.00 0.00 34.13 32.32 2jn6 s GLU 74 CO 0.03 -0.84 0.01 0.54 -0.54 0.00 0.00 175.26 174.46 2jn6 s ASN 75 N -3.02 1.15 0.39 -1.70 2.20 -1.26 -4.98 114.94 107.71 2jn6 s ASN 75 Ca 0.62 -1.18 0.19 0.00 -0.94 0.00 0.00 52.86 51.55 2jn6 s ASN 75 Cb -0.15 0.13 0.79 0.00 -2.00 0.00 0.00 41.25 40.02 2jn6 s ASN 75 CO 0.40 -0.58 1.79 0.00 -2.94 0.00 0.00 177.10 175.78 2jn6 h ALA 76 N 2.70 1.10 -0.65 3.54 0.00 -1.98 -3.03 119.26 120.95 2jn6 h ALA 76 Ca -0.37 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.19 2jn6 h ALA 76 Cb 1.20 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2jn6 h ALA 76 CO 0.62 0.43 0.24 -0.07 0.00 0.00 0.00 179.25 180.47 2jn6 h LEU 77 N 0.00 0.89 0.00 0.00 3.38 -2.01 -1.57 115.31 115.99 2jn6 h LEU 77 Ca -0.00 -0.13 -0.20 0.00 0.09 0.00 0.00 57.88 57.63 2jn6 h LEU 77 Cb 0.78 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2jn6 h LEU 77 CO 0.04 0.81 -1.01 1.56 0.09 0.00 0.00 178.44 179.93 2jn6 h GLN 78 N 0.94 0.00 0.00 1.13 7.50 -1.99 -3.28 115.11 119.42 2jn6 h GLN 78 Ca 0.22 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.37 2jn6 h GLN 78 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.74 2jn6 h GLN 78 CO -0.02 0.88 0.00 0.54 -1.50 0.00 0.00 178.83 178.73 2jn6 n ARG 79 N -3.30 0.17 0.34 1.46 5.12 -0.83 -2.92 116.66 116.70 2jn6 n ARG 79 Ca -0.01 0.29 0.22 0.00 -1.93 0.00 0.00 57.85 56.42 2jn6 n ARG 79 Cb 0.92 -1.77 1.18 0.00 -1.16 0.00 0.00 32.46 31.63 2jn6 n ARG 79 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jn6 h ALA 80 N 2.45 1.06 0.00 7.54 0.00 -1.37 -0.12 119.26 128.82 2jn6 h ALA 80 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2jn6 h ALA 80 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2jn6 h ALA 80 CO 0.00 -0.03 -1.00 0.00 0.00 0.00 0.00 179.25 178.22 2jn6 h ARG 81 N 0.00 0.00 0.00 0.00 3.08 -1.78 -3.38 114.38 112.29 2jn6 h ARG 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2jn6 h ARG 81 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2jn6 h ARG 81 CO -0.00 0.36 0.00 2.41 -1.07 0.00 0.00 179.97 181.67 2jn6 n THR 82 N -3.02 0.00 -3.58 2.04 -1.04 -0.06 -4.73 114.28 103.88 2jn6 n THR 82 Ca -0.04 0.33 -0.40 0.00 -2.04 0.00 0.00 64.05 61.90 2jn6 n THR 82 Cb 0.78 -0.72 -0.11 0.00 -1.82 0.00 0.00 70.33 68.46 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 -0.27 3.26 -0.48 -2.82 1.81 -1.17 -5.04 118.95 114.24 2jn6 s ARG 83 Ca 0.00 -0.79 0.02 0.00 -1.72 0.00 0.00 55.73 53.24 2jn6 s ARG 83 Cb 0.00 -3.72 0.13 0.00 -0.45 0.00 0.00 34.95 30.91 2jn6 s ARG 83 CO 0.00 -0.51 0.23 -1.58 -0.68 0.00 0.00 175.30 172.76 2jn6 s HIS 84 N 1.65 3.42 0.16 -0.53 2.46 -1.26 -4.68 115.29 116.51 2jn6 s HIS 84 Ca 0.05 -2.97 -0.00 0.00 0.47 0.00 0.00 55.06 52.60 2jn6 s HIS 84 Cb -0.18 -2.96 0.03 0.00 -0.13 0.00 0.00 32.58 29.34 2jn6 s HIS 84 CO 0.08 -0.84 0.22 -0.35 -2.47 0.00 0.00 174.74 171.38 2jn6 n PRO 85 N 3.63 0.45 -4.44 2.88 -0.04 -1.26 -5.10 135.00 131.12 2jn6 n PRO 85 Ca 0.04 -0.59 -0.34 0.00 -0.04 0.00 0.00 63.50 62.57 2jn6 n PRO 85 Cb 0.37 -0.15 -0.13 0.00 -0.04 0.00 0.00 33.50 33.55 2jn6 n PRO 85 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jn6 s ALA 86 N -2.86 2.82 0.01 0.55 0.00 -1.26 -5.04 121.76 115.98 2jn6 s ALA 86 Ca 0.15 -0.92 -0.27 0.00 0.00 0.00 0.00 51.96 50.92 2jn6 s ALA 86 Cb -0.01 -1.46 -0.15 0.00 0.00 0.00 0.00 23.12 21.50 2jn6 s ALA 86 CO 0.10 0.09 1.14 0.93 0.00 0.00 0.00 175.76 178.01 2jn6 h GLU 87 N 7.01 -0.86 0.00 0.00 5.08 -2.01 -3.15 114.58 120.64 2jn6 h GLU 87 Ca -0.31 0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.05 2jn6 h GLU 87 Cb 1.19 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 2jn6 h GLU 87 CO 0.59 -0.55 -0.28 1.03 -1.00 0.00 0.00 179.01 178.81 2jn6 h SER 88 N -1.18 0.00 0.46 1.42 0.87 -1.98 -2.54 113.55 110.60 2jn6 h SER 88 Ca -0.09 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 2jn6 h SER 88 Cb 0.71 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.66 2jn6 h SER 88 CO 0.15 0.28 -0.09 0.00 -0.53 0.00 0.00 176.83 176.64 2jn6 h LEU 90 N 0.00 0.74 0.00 0.00 5.85 -1.41 -2.76 115.31 117.73 2jn6 h LEU 90 Ca -0.00 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 2jn6 h LEU 90 Cb 0.34 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 2jn6 h LEU 90 CO 0.01 0.82 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.47 2jn6 h GLU 91 N 0.71 0.00 -2.77 1.25 5.08 -1.22 -3.39 114.58 114.24 2jn6 h GLU 91 Ca 0.14 0.00 -0.80 0.00 -1.00 0.00 0.00 59.36 57.70 2jn6 h GLU 91 Cb 0.46 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.43 2jn6 h GLU 91 CO 0.02 0.65 0.77 0.72 -1.00 0.00 0.00 179.01 180.17 2jn6 n HIS 92 N -4.65 2.37 -1.88 4.33 8.25 0.19 -5.00 115.22 118.83 2jn6 n HIS 92 Ca -0.09 -2.63 -0.42 0.00 -0.26 0.00 0.00 57.72 54.32 2jn6 n HIS 92 Cb 0.34 -1.21 -0.03 0.00 1.12 0.00 0.00 29.99 30.21 2jn6 n HIS 92 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jn6 s HIS 93 N -3.07 1.75 0.64 4.41 -3.43 -1.04 -4.59 115.29 109.96 2jn6 s HIS 93 Ca 0.33 -0.04 -0.13 0.00 -0.80 0.00 0.00 55.06 54.41 2jn6 s HIS 93 Cb 0.08 -4.04 -0.02 0.00 -1.43 0.00 0.00 32.58 27.17 2jn6 s HIS 93 CO 0.06 -4.49 1.06 -1.01 -2.00 0.00 0.00 174.74 168.36 2jn6 s HIS 94 N 4.09 3.07 -0.17 0.38 3.76 -1.26 -5.05 115.29 120.11 2jn6 s HIS 94 Ca 0.79 1.47 -0.00 0.00 -0.15 0.00 0.00 55.06 57.16 2jn6 s HIS 94 Cb -0.37 -2.94 -0.00 0.00 1.11 0.00 0.00 32.58 30.38 2jn6 s HIS 94 CO 0.34 -1.14 -0.14 -3.38 -0.85 0.00 0.00 174.74 169.58 2jn6 s HIS 95 N -2.74 2.82 -0.28 1.40 -3.43 -1.26 -5.10 115.29 106.69 2jn6 s HIS 95 Ca 0.61 -1.10 -0.08 0.00 -0.80 0.00 0.00 55.06 53.69 2jn6 s HIS 95 Cb -0.15 -1.93 -0.01 0.00 -1.43 0.00 0.00 32.58 29.06 2jn6 s HIS 95 CO 0.45 -0.53 0.10 -1.58 -2.00 0.00 0.00 174.74 171.18 2jn6 s HIS 96 N 0.99 3.13 -2.53 0.38 2.46 -1.26 -5.34 115.29 113.12 2jn6 s HIS 96 Ca -0.02 -0.68 0.28 0.00 0.47 0.00 0.00 55.06 55.11 2jn6 s HIS 96 Cb -0.15 -2.28 0.99 0.00 -0.13 0.00 0.00 32.58 31.02 2jn6 s HIS 96 CO -0.03 -0.47 1.71 1.58 -2.47 0.00 0.00 174.74 175.06