#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jm7 n ASP 2 N 0.00 3.75 -3.71 6.12 8.00 -1.26 -4.70 116.55 124.75 1jm7 n ASP 2 Ca 0.00 -3.49 -0.25 0.00 0.71 0.00 0.00 54.79 51.76 1jm7 n ASP 2 Cb 0.00 -0.82 0.06 0.00 -0.02 0.00 0.00 41.12 40.34 1jm7 n ASP 2 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1jm7 n LEU 3 N -1.02 -3.14 -1.62 0.64 7.94 -1.26 -0.85 117.00 117.70 1jm7 n LEU 3 Ca 0.55 -0.67 -0.16 0.00 -1.11 0.00 0.00 56.01 54.63 1jm7 n LEU 3 Cb 1.57 -2.83 -0.06 0.00 0.53 0.00 0.00 43.42 42.63 1jm7 n LEU 3 CO 0.56 0.53 -0.16 -1.54 -1.11 0.00 0.00 177.39 175.68 1jm7 n SER 4 N -2.97 -4.26 -1.71 1.96 3.41 -1.26 -1.47 113.62 107.32 1jm7 n SER 4 Ca -0.05 0.34 -0.14 0.00 -0.26 0.00 0.00 58.87 58.76 1jm7 n SER 4 Cb 0.57 -3.83 -0.04 0.00 -0.26 0.00 0.00 64.21 60.65 1jm7 n SER 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jm7 n ALA 5 N 0.30 -0.37 -2.85 7.33 0.00 -0.03 -4.86 120.51 120.02 1jm7 n ALA 5 Ca -0.16 0.20 -0.44 0.00 0.00 0.00 0.00 53.44 53.04 1jm7 n ALA 5 Cb 0.54 -1.52 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 1jm7 n ALA 5 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1jm7 s LEU 6 N -4.40 4.74 -0.44 0.00 0.05 -0.54 -4.58 118.68 113.50 1jm7 s LEU 6 Ca 0.00 -2.50 -0.21 0.00 0.05 0.00 0.00 54.13 51.48 1jm7 s LEU 6 Cb 0.00 -2.44 0.03 0.00 -2.05 0.00 0.00 46.19 41.73 1jm7 s LEU 6 CO 0.00 -0.97 0.62 0.54 -0.55 0.00 0.00 176.35 175.99 1jm7 n ARG 7 N 6.60 -2.27 0.00 1.48 5.12 -1.26 -4.99 116.66 121.34 1jm7 n ARG 7 Ca 0.34 1.96 0.00 0.00 -1.93 0.00 0.00 57.85 58.22 1jm7 n ARG 7 Cb 0.46 -4.87 0.00 0.00 -1.16 0.00 0.00 32.46 26.89 1jm7 n ARG 7 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1jm7 n VAL 8 N -0.31 0.00 0.06 1.55 0.31 -1.26 -4.62 118.33 114.06 1jm7 n VAL 8 Ca 0.07 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.27 1jm7 n VAL 8 Cb 0.51 -0.73 -0.08 0.00 -0.91 0.00 0.00 33.84 32.64 1jm7 n VAL 8 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1jm7 h GLU 9 N 0.00 -0.07 0.00 5.55 4.57 -1.94 -2.39 114.58 120.30 1jm7 h GLU 9 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1jm7 h GLU 9 Cb 0.67 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1jm7 h GLU 9 CO 0.00 0.05 -0.05 1.49 -1.18 0.00 0.00 179.01 179.32 1jm7 h GLU 10 N -0.18 0.00 -0.03 1.92 4.81 -2.00 -1.33 114.58 117.76 1jm7 h GLU 10 Ca -0.01 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1jm7 h GLU 10 Cb 0.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1jm7 h GLU 10 CO 0.01 0.05 -0.47 0.28 -0.73 0.00 0.00 179.01 178.15 1jm7 h VAL 11 N 0.00 1.34 -0.16 0.32 2.07 -1.70 -2.94 116.25 115.18 1jm7 h VAL 11 Ca -0.00 -1.65 -0.17 0.00 0.82 0.00 0.00 66.70 65.70 1jm7 h VAL 11 Cb 0.10 1.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1jm7 h VAL 11 CO 0.01 0.48 -0.61 1.56 0.02 0.00 0.00 177.57 179.03 1jm7 h GLN 12 N 0.06 0.54 -0.72 1.57 1.08 -0.84 -3.08 115.11 113.71 1jm7 h GLN 12 Ca 0.00 -0.37 -0.07 0.00 -1.45 0.00 0.00 58.65 56.76 1jm7 h GLN 12 Cb 0.86 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.32 1jm7 h GLN 12 CO 0.06 0.98 0.18 -0.97 -0.95 0.00 0.00 178.83 178.13 1jm7 h ASN 13 N 0.40 1.09 0.58 1.46 -1.24 -1.36 -2.41 115.58 114.10 1jm7 h ASN 13 Ca -0.00 -0.23 -0.03 0.00 0.71 0.00 0.00 56.30 56.75 1jm7 h ASN 13 Cb 1.16 -0.29 0.00 0.00 0.73 0.00 0.00 38.32 39.93 1jm7 h ASN 13 CO 0.11 1.04 -0.31 0.58 -1.29 0.00 0.00 177.43 177.56 1jm7 h VAL 14 N 1.09 0.37 -0.33 2.57 2.07 -1.49 -2.35 116.25 118.19 1jm7 h VAL 14 Ca 0.23 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.84 1jm7 h VAL 14 Cb 0.37 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1jm7 h VAL 14 CO 0.00 0.00 0.24 0.40 0.02 0.00 0.00 177.57 178.23 1jm7 h ILE 15 N -0.82 0.82 0.73 4.57 2.04 -1.51 -1.81 117.51 121.52 1jm7 h ILE 15 Ca -0.08 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 1jm7 h ILE 15 Cb 0.64 0.83 0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1jm7 h ILE 15 CO 0.11 0.00 -0.35 -1.13 0.00 0.00 0.00 178.15 176.78 1jm7 h ASN 16 N 0.00 -0.83 -0.29 1.72 -1.24 -0.92 -2.03 115.58 111.99 1jm7 h ASN 16 Ca 0.16 0.00 0.04 0.00 0.71 0.00 0.00 56.30 57.21 1jm7 h ASN 16 Cb 0.63 0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.88 1jm7 h ASN 16 CO -0.00 -0.50 0.20 0.00 -1.29 0.00 0.00 177.43 175.83 1jm7 h ALA 17 N -0.97 2.01 -0.38 1.57 0.00 -1.03 -0.72 119.26 119.74 1jm7 h ALA 17 Ca -0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1jm7 h ALA 17 Cb 0.77 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1jm7 h ALA 17 CO 0.16 -0.06 -0.01 1.98 0.00 0.00 0.00 179.25 181.32 1jm7 h MET 18 N 0.21 0.62 -0.14 0.00 1.85 -1.13 -2.42 114.93 113.91 1jm7 h MET 18 Ca 0.12 -0.15 -0.10 0.00 -0.61 0.00 0.00 59.70 58.97 1jm7 h MET 18 Cb 0.24 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.17 1jm7 h MET 18 CO -0.02 0.65 -0.35 0.37 -0.40 0.00 0.00 176.91 177.16 1jm7 h GLN 19 N 0.58 0.28 -0.97 0.39 4.15 -0.39 -2.90 115.11 116.27 1jm7 h GLN 19 Ca 0.12 -0.12 0.02 0.00 0.77 0.00 0.00 58.65 59.44 1jm7 h GLN 19 Cb 0.39 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.02 1jm7 h GLN 19 CO 0.02 0.60 0.64 0.87 -1.93 0.00 0.00 178.83 179.03 1jm7 h LYS 20 N 0.25 1.24 -0.09 1.69 1.57 -1.24 0.31 116.57 120.30 1jm7 h LYS 20 Ca 0.03 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1jm7 h LYS 20 Cb 0.74 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1jm7 h LYS 20 CO 0.06 0.82 -0.26 0.82 -0.57 0.00 0.00 179.45 180.32 1jm7 h ILE 21 N 1.28 1.23 -0.67 1.86 2.04 -1.47 -2.54 117.51 119.23 1jm7 h ILE 21 Ca 0.37 -1.06 -0.36 0.00 1.00 0.00 0.00 64.86 64.80 1jm7 h ILE 21 Cb -0.10 1.45 -0.21 0.00 -0.74 0.00 0.00 36.82 37.22 1jm7 h ILE 21 CO -0.09 0.32 0.25 0.18 0.00 0.00 0.00 178.15 178.80 1jm7 n LEU 22 N -4.18 5.45 0.00 1.44 7.99 -0.57 -4.99 117.00 122.14 1jm7 n LEU 22 Ca -0.01 -3.79 -0.01 0.00 -0.01 0.00 0.00 56.01 52.19 1jm7 n LEU 22 Cb 0.35 -0.73 0.00 0.00 -0.11 0.00 0.00 43.42 42.93 1jm7 n LEU 22 CO 0.39 1.23 0.01 1.21 -1.51 0.00 0.00 177.39 178.72 1jm7 n GLU 23 N -1.11 0.95 -4.63 3.23 2.13 -0.01 -3.94 120.64 117.26 1jm7 n GLU 23 Ca 0.46 -0.09 -0.33 0.00 0.66 0.00 0.00 57.16 57.87 1jm7 n GLU 23 Cb 1.27 -0.01 -0.11 0.00 0.27 0.00 0.00 31.44 32.86 1jm7 n GLU 23 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jm7 n PRO 25 N 2.01 0.11 0.00 0.00 -0.04 -1.26 -3.74 135.00 132.08 1jm7 n PRO 25 Ca -0.17 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 1jm7 n PRO 25 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1jm7 n PRO 25 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1jm7 n ILE 26 N -1.38 0.00 0.46 0.52 -5.35 -1.26 -4.84 119.36 107.51 1jm7 n ILE 26 Ca 0.06 0.00 0.07 0.00 -0.27 0.00 0.00 62.75 62.61 1jm7 n ILE 26 Cb 0.34 -0.36 -0.10 0.00 -1.74 0.00 0.00 39.64 37.78 1jm7 n ILE 26 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jm7 n LEU 28 N -1.60 -1.79 -4.36 0.00 7.99 -1.25 -4.97 117.00 111.04 1jm7 n LEU 28 Ca 0.01 0.13 -0.34 0.00 -0.01 0.00 0.00 56.01 55.80 1jm7 n LEU 28 Cb 0.29 -2.87 -0.14 0.00 -0.11 0.00 0.00 43.42 40.60 1jm7 n LEU 28 CO 0.31 -0.43 -0.42 -1.83 -1.51 0.00 0.00 177.39 173.51 1jm7 s GLU 29 N -4.71 3.41 -0.88 3.23 -1.05 -1.26 -4.73 118.70 112.70 1jm7 s GLU 29 Ca 0.00 -0.65 -0.29 0.00 -0.15 0.00 0.00 54.97 53.87 1jm7 s GLU 29 Cb 0.00 -2.77 -0.20 0.00 -0.44 0.00 0.00 34.13 30.72 1jm7 s GLU 29 CO 0.00 0.09 2.43 -0.11 0.95 0.00 0.00 175.26 178.62 1jm7 n LEU 30 N 3.91 0.30 -4.59 1.83 7.94 -1.26 -4.10 117.00 121.04 1jm7 n LEU 30 Ca -0.18 0.20 -0.43 0.00 -1.11 0.00 0.00 56.01 54.49 1jm7 n LEU 30 Cb 0.52 -0.84 -0.01 0.00 0.53 0.00 0.00 43.42 43.62 1jm7 n LEU 30 CO 0.30 -0.66 0.55 2.30 -1.11 0.00 0.00 177.39 178.77 1jm7 n ILE 31 N 6.80 2.10 -0.01 1.96 -5.35 -1.25 -4.93 119.36 118.67 1jm7 n ILE 31 Ca 0.60 -0.50 -0.02 0.00 -0.27 0.00 0.00 62.75 62.56 1jm7 n ILE 31 Cb 0.02 -1.03 -0.01 0.00 -1.74 0.00 0.00 39.64 36.88 1jm7 n ILE 31 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1jm7 n LYS 32 N 0.55 0.11 -3.66 6.28 0.00 -1.26 -4.84 118.16 115.33 1jm7 n LYS 32 Ca 0.09 0.01 -0.38 0.00 0.00 0.00 0.00 58.31 58.04 1jm7 n LYS 32 Cb 0.35 -1.05 -0.09 0.00 0.00 0.00 0.00 35.03 34.24 1jm7 n LYS 32 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1jm7 s GLU 33 N -2.05 2.56 -0.24 1.64 8.01 -1.26 -4.88 118.70 122.49 1jm7 s GLU 33 Ca -0.03 -2.29 -0.40 0.00 0.01 0.00 0.00 54.97 52.26 1jm7 s GLU 33 Cb 0.01 -3.81 -0.16 0.00 -4.31 0.00 0.00 34.13 25.86 1jm7 s GLU 33 CO 0.05 -1.17 1.72 -2.30 0.01 0.00 0.00 175.26 173.57 1jm7 n PRO 34 N 3.93 1.20 -4.23 0.39 -0.02 -1.26 -3.19 135.00 131.82 1jm7 n PRO 34 Ca 0.04 0.44 -0.27 0.00 -2.02 0.00 0.00 63.50 61.69 1jm7 n PRO 34 Cb 0.40 -2.13 -0.17 0.00 -0.02 0.00 0.00 33.50 31.58 1jm7 n PRO 34 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1jm7 s VAL 35 N 3.32 1.27 -0.17 -1.45 1.01 -1.18 -2.37 120.40 120.83 1jm7 s VAL 35 Ca 0.97 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 62.41 1jm7 s VAL 35 Cb -1.04 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1jm7 s VAL 35 CO 0.64 0.40 0.03 -0.94 0.00 0.00 0.00 175.10 175.22 1jm7 s SER 36 N 1.23 5.36 0.37 3.32 1.04 -1.23 -1.64 113.70 122.16 1jm7 s SER 36 Ca -0.03 0.03 0.03 0.00 0.48 0.00 0.00 55.95 56.46 1jm7 s SER 36 Cb -0.14 -1.88 -0.01 0.00 0.10 0.00 0.00 66.02 64.09 1jm7 s SER 36 CO -0.04 0.19 0.55 0.42 0.98 0.00 0.00 173.24 175.34 1jm7 s THR 37 N 0.26 4.29 0.59 2.02 -4.23 -1.20 -3.16 115.64 114.22 1jm7 s THR 37 Ca 0.02 -0.72 0.30 0.00 -1.18 0.00 0.00 61.69 60.10 1jm7 s THR 37 Cb -0.13 -3.54 0.42 0.00 1.34 0.00 0.00 72.50 70.59 1jm7 s THR 37 CO 0.01 -0.30 1.67 0.11 -0.54 0.00 0.00 174.62 175.57 1jm7 h LYS 38 N 0.70 0.00 -0.22 3.99 1.57 -1.90 1.11 116.57 121.82 1jm7 h LYS 38 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1jm7 h LYS 38 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1jm7 h LYS 38 CO 0.57 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.45 1jm7 n ASP 40 N 0.13 -3.85 -3.07 0.00 2.03 0.38 -5.02 116.55 107.15 1jm7 n ASP 40 Ca 0.07 -0.48 -0.09 0.00 0.52 0.00 0.00 54.79 54.81 1jm7 n ASP 40 Cb 0.18 -4.26 0.00 0.00 -0.72 0.00 0.00 41.12 36.33 1jm7 n ASP 40 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1jm7 n HIS 41 N -4.08 -1.44 -4.16 -0.67 8.25 -1.22 -4.89 115.22 107.02 1jm7 n HIS 41 Ca -0.11 -0.86 -0.15 0.00 -0.26 0.00 0.00 57.72 56.34 1jm7 n HIS 41 Cb 0.59 -0.17 -0.11 0.00 1.12 0.00 0.00 29.99 31.42 1jm7 n HIS 41 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1jm7 s ILE 42 N -0.90 0.90 0.31 1.59 -1.09 -1.25 -3.22 121.20 117.53 1jm7 s ILE 42 Ca 0.14 -1.53 -0.11 0.00 -2.23 0.00 0.00 60.65 56.91 1jm7 s ILE 42 Cb -0.01 -1.23 0.01 0.00 -1.58 0.00 0.00 42.46 39.65 1jm7 s ILE 42 CO 0.09 -0.50 0.57 -0.36 -1.23 0.00 0.00 174.94 173.50 1jm7 s PHE 43 N -2.19 0.45 -0.38 3.97 0.40 -0.65 -4.67 117.98 114.91 1jm7 s PHE 43 Ca 0.03 -0.85 0.06 0.00 -0.60 0.00 0.00 56.93 55.56 1jm7 s PHE 43 Cb -0.04 0.31 0.63 0.00 0.51 0.00 0.00 43.02 44.42 1jm7 s PHE 43 CO 0.00 -1.19 1.77 0.00 0.70 0.00 0.00 175.22 176.51 1jm7 n LYS 45 N -0.62 -3.98 -0.92 0.00 3.00 -1.19 -4.44 118.16 110.01 1jm7 n LYS 45 Ca 0.47 3.02 0.00 0.00 -0.00 0.00 0.00 58.31 61.80 1jm7 n LYS 45 Cb 1.45 -3.58 0.00 0.00 0.00 0.00 0.00 35.03 32.90 1jm7 n LYS 45 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1jm7 n PHE 46 N -1.68 0.00 0.08 5.64 7.35 -1.26 -4.86 117.46 122.74 1jm7 n PHE 46 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 1jm7 n PHE 46 Cb 0.21 -0.45 -0.04 0.00 0.35 0.00 0.00 39.48 39.55 1jm7 n PHE 46 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1jm7 h MET 48 N 0.09 0.82 -0.42 0.00 2.86 -1.96 0.79 114.93 117.11 1jm7 h MET 48 Ca -0.05 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1jm7 h MET 48 Cb 1.59 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 33.15 1jm7 h MET 48 CO 0.14 0.85 0.27 -0.07 1.06 0.00 0.00 176.91 179.16 1jm7 h LEU 49 N 0.67 0.49 -0.31 1.22 4.07 -1.97 0.59 115.31 120.08 1jm7 h LEU 49 Ca 0.14 -0.03 -0.19 0.00 0.08 0.00 0.00 57.88 57.88 1jm7 h LEU 49 Cb 0.46 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 1jm7 h LEU 49 CO 0.02 0.37 -0.86 0.11 -1.08 0.00 0.00 178.44 177.00 1jm7 h LYS 50 N 0.56 0.13 -0.02 1.13 1.57 -1.43 0.11 116.57 118.62 1jm7 h LYS 50 Ca 0.15 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1jm7 h LYS 50 Cb -0.04 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1jm7 h LYS 50 CO -0.03 0.91 -0.64 1.25 -0.57 0.00 0.00 179.45 180.36 1jm7 h LEU 51 N 0.07 0.11 0.09 2.94 5.85 0.10 -0.09 115.31 124.38 1jm7 h LEU 51 Ca -0.03 -0.07 -0.33 0.00 0.84 0.00 0.00 57.88 58.29 1jm7 h LEU 51 Cb 1.49 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.46 1jm7 h LEU 51 CO 0.13 0.72 -1.78 -0.07 -0.34 0.00 0.00 178.44 177.10 1jm7 h LEU 52 N 0.07 0.28 -0.40 2.25 4.07 0.21 -3.35 115.31 118.44 1jm7 h LEU 52 Ca -0.01 -0.54 -0.18 0.00 0.08 0.00 0.00 57.88 57.22 1jm7 h LEU 52 Cb 1.15 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.79 1jm7 h LEU 52 CO 0.09 1.48 -0.75 -1.13 -1.08 0.00 0.00 178.44 177.05 1jm7 h ASN 53 N 0.05 0.44 -0.24 -0.43 -1.24 -0.81 -3.10 115.58 110.26 1jm7 h ASN 53 Ca -0.33 -0.30 0.04 0.00 0.71 0.00 0.00 56.30 56.42 1jm7 h ASN 53 Cb 2.02 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 40.93 1jm7 h ASN 53 CO 0.11 1.04 0.16 -0.61 -1.29 0.00 0.00 177.43 176.84 1jm7 h GLN 54 N 0.25 0.15 0.00 6.67 4.15 -1.16 -3.43 115.11 121.74 1jm7 h GLN 54 Ca -0.03 -0.01 -0.34 0.00 0.77 0.00 0.00 58.65 59.04 1jm7 h GLN 54 Cb 1.33 -0.03 0.03 0.00 0.21 0.00 0.00 27.48 29.01 1jm7 h GLN 54 CO 0.13 0.10 -0.01 1.63 -1.93 0.00 0.00 178.83 178.75 1jm7 n LYS 55 N -4.49 0.53 -0.38 1.69 5.02 -1.17 -5.03 118.16 114.32 1jm7 n LYS 55 Ca 0.02 -2.11 0.08 0.00 -2.02 0.00 0.00 58.31 54.27 1jm7 n LYS 55 Cb 0.20 -0.26 0.24 0.00 -0.02 0.00 0.00 35.03 35.18 1jm7 n LYS 55 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1jm7 n LYS 56 N -2.02 2.88 0.00 1.97 0.00 -1.26 -4.98 118.16 114.75 1jm7 n LYS 56 Ca 0.12 -2.68 0.00 0.00 0.00 0.00 0.00 58.31 55.74 1jm7 n LYS 56 Cb 0.42 -1.73 0.00 0.00 0.00 0.00 0.00 35.03 33.73 1jm7 n LYS 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jm7 n GLY 57 N -0.35 2.15 3.49 3.14 0.00 -1.26 -5.15 105.19 107.22 1jm7 n GLY 57 Ca 0.19 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1jm7 n GLY 57 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jm7 n PRO 58 N 0.00 0.74 -0.03 1.61 -0.02 -1.26 -4.88 135.00 131.16 1jm7 n PRO 58 Ca 0.00 0.27 -0.03 0.00 -2.02 0.00 0.00 63.50 61.72 1jm7 n PRO 58 Cb 0.00 -1.61 0.03 0.00 -0.02 0.00 0.00 33.50 31.90 1jm7 n PRO 58 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1jm7 n SER 59 N 1.14 -2.06 -3.15 2.55 3.41 -0.90 -4.99 113.62 109.62 1jm7 n SER 59 Ca 0.11 -0.08 0.05 0.00 -0.26 0.00 0.00 58.87 58.68 1jm7 n SER 59 Cb 0.38 -0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 64.23 1jm7 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jm7 s GLN 60 N -2.96 0.41 -0.68 4.33 -2.07 -1.25 -4.54 119.66 112.90 1jm7 s GLN 60 Ca 0.06 0.57 -0.34 0.00 -1.82 0.00 0.00 55.36 53.84 1jm7 s GLN 60 Cb -0.01 0.30 -0.17 0.00 -1.09 0.00 0.00 33.01 32.04 1jm7 s GLN 60 CO 0.05 -0.61 2.43 0.00 -1.32 0.00 0.00 175.29 175.84 1jm7 n PRO 62 N 8.30 0.08 0.07 0.00 -0.04 -1.26 0.07 135.00 142.22 1jm7 n PRO 62 Ca 0.54 0.41 -0.07 0.00 -0.04 0.00 0.00 63.50 64.33 1jm7 n PRO 62 Cb 0.14 -1.67 -0.09 0.00 -0.04 0.00 0.00 33.50 31.83 1jm7 n PRO 62 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1jm7 h LEU 63 N 0.00 0.05 0.00 1.53 4.07 -1.93 -3.42 115.31 115.61 1jm7 h LEU 63 Ca 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1jm7 h LEU 63 Cb 0.20 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.92 1jm7 h LEU 63 CO 0.00 1.00 -0.06 0.00 -1.08 0.00 0.00 178.44 178.30 1jm7 n LYS 65 N -3.43 0.00 0.00 0.00 2.85 0.11 -5.07 118.16 112.62 1jm7 n LYS 65 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 1jm7 n LYS 65 Cb 0.03 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.41 1jm7 n LYS 65 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1jm7 n ASN 66 N 0.00 0.00 0.00 -5.58 6.94 -1.08 -4.29 115.26 111.24 1jm7 n ASN 66 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1jm7 n ASN 66 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1jm7 n ASN 66 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1jm7 n ASP 67 N 0.00 0.00 -3.72 0.53 9.92 -1.26 -4.55 116.55 117.47 1jm7 n ASP 67 Ca 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.12 1jm7 n ASP 67 Cb 0.00 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 1jm7 n ASP 67 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1jm7 s ILE 68 N 0.00 0.02 -0.20 0.53 1.01 -1.26 -4.50 121.20 116.79 1jm7 s ILE 68 Ca 0.00 -0.13 0.17 0.00 0.00 0.00 0.00 60.65 60.69 1jm7 s ILE 68 Cb 0.00 -0.64 0.40 0.00 0.01 0.00 0.00 42.46 42.23 1jm7 s ILE 68 CO 0.00 -0.07 1.24 0.35 0.00 0.00 0.00 174.94 176.46 1jm7 n THR 69 N 2.25 0.50 -1.45 2.92 -2.24 -1.26 -2.12 114.28 112.88 1jm7 n THR 69 Ca -0.16 -1.63 0.18 0.00 -2.27 0.00 0.00 64.05 60.17 1jm7 n THR 69 Cb 0.57 1.06 -0.09 0.00 -2.10 0.00 0.00 70.33 69.76 1jm7 n THR 69 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1jm7 n LYS 70 N -0.62 -3.28 -3.05 -0.78 4.81 -1.26 -4.87 118.16 109.11 1jm7 n LYS 70 Ca -0.05 2.64 -0.02 0.00 -0.87 0.00 0.00 58.31 60.01 1jm7 n LYS 70 Cb 0.87 -3.87 0.00 0.00 0.02 0.00 0.00 35.03 32.06 1jm7 n LYS 70 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1jm7 n ARG 71 N -4.35 -1.46 0.07 1.64 3.00 -1.26 -4.89 116.66 109.41 1jm7 n ARG 71 Ca -0.08 1.56 0.00 0.00 -0.00 0.00 0.00 57.85 59.33 1jm7 n ARG 71 Cb 0.68 -5.66 0.00 0.00 0.00 0.00 0.00 32.46 27.49 1jm7 n ARG 71 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1jm7 n SER 72 N -1.60 -1.23 -3.20 6.15 7.64 -1.26 -5.15 113.62 114.97 1jm7 n SER 72 Ca 0.01 0.47 -0.26 0.00 1.01 0.00 0.00 58.87 60.10 1jm7 n SER 72 Cb 0.50 1.41 0.25 0.00 -1.01 0.00 0.00 64.21 65.36 1jm7 n SER 72 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jm7 n LEU 73 N -2.89 0.00 -3.64 -3.43 -0.00 -1.26 -4.88 117.00 100.90 1jm7 n LEU 73 Ca 0.00 -0.74 -0.05 0.00 -0.00 0.00 0.00 56.01 55.22 1jm7 n LEU 73 Cb 0.00 -0.84 -0.07 0.00 -0.00 0.00 0.00 43.42 42.51 1jm7 n LEU 73 CO 0.00 -2.65 0.92 0.00 -0.00 0.00 0.00 177.39 175.66 1jm7 s GLN 74 N -4.72 0.29 -0.53 1.47 0.00 -1.19 -5.01 119.66 109.97 1jm7 s GLN 74 Ca 0.56 0.36 -0.27 0.00 -0.00 0.00 0.00 55.36 56.01 1jm7 s GLN 74 Cb -0.10 0.13 -0.03 0.00 0.00 0.00 0.00 33.01 33.01 1jm7 s GLN 74 CO 0.47 -0.04 1.99 -1.21 0.00 0.00 0.00 175.29 176.50 1jm7 s GLU 75 N 0.29 2.62 0.42 9.60 2.02 -1.26 -3.48 118.70 128.91 1jm7 s GLU 75 Ca 0.03 0.96 0.08 0.00 0.02 0.00 0.00 54.97 56.06 1jm7 s GLU 75 Cb -0.05 -4.40 0.00 0.00 0.10 0.00 0.00 34.13 29.78 1jm7 s GLU 75 CO -0.11 -2.71 0.52 0.45 0.02 0.00 0.00 175.26 173.43 1jm7 s SER 76 N 8.75 5.50 -0.86 -0.19 0.15 -1.00 -5.02 113.70 121.03 1jm7 s SER 76 Ca 0.77 -0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.92 1jm7 s SER 76 Cb -0.16 -0.64 0.27 0.00 -1.71 0.00 0.00 66.02 63.78 1jm7 s SER 76 CO 0.24 -0.73 1.03 0.41 1.20 0.00 0.00 173.24 175.39 1jm7 n THR 77 N -1.77 3.61 0.02 6.45 -1.04 -1.26 -4.38 114.28 115.91 1jm7 n THR 77 Ca 0.07 -5.47 -0.00 0.00 -2.04 0.00 0.00 64.05 56.60 1jm7 n THR 77 Cb 0.60 -2.15 -0.00 0.00 -1.82 0.00 0.00 70.33 66.96 1jm7 n THR 77 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1jm7 n ARG 78 N 1.31 0.02 -1.19 -2.82 1.74 -1.26 -4.80 116.66 109.66 1jm7 n ARG 78 Ca 0.27 0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 57.07 1jm7 n ARG 78 Cb 0.37 -0.33 0.09 0.00 -1.02 0.00 0.00 32.46 31.57 1jm7 n ARG 78 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1jm7 n PHE 79 N -3.11 2.81 -0.00 -1.55 3.01 -1.26 -4.57 117.46 112.79 1jm7 n PHE 79 Ca -0.00 -2.55 -0.00 0.00 1.01 0.00 0.00 57.45 55.91 1jm7 n PHE 79 Cb 0.02 -1.24 -0.00 0.00 -0.01 0.00 0.00 39.48 38.25 1jm7 n PHE 79 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1jm7 h SER 80 N 1.66 0.00 0.20 4.37 0.87 -1.87 -3.35 113.55 115.42 1jm7 h SER 80 Ca 0.54 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 61.07 1jm7 h SER 80 Cb 1.23 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1jm7 h SER 80 CO 1.31 0.01 -0.13 1.56 -0.53 0.00 0.00 176.83 179.05 1jm7 h GLN 81 N -0.02 0.00 -0.16 2.24 4.20 -1.94 -1.95 115.11 117.48 1jm7 h GLN 81 Ca 0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1jm7 h GLN 81 Cb 0.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1jm7 h GLN 81 CO 0.00 0.13 0.11 -0.07 -0.67 0.00 0.00 178.83 178.33 1jm7 h LEU 82 N 0.00 0.11 0.02 1.46 3.38 -1.81 0.79 115.31 119.26 1jm7 h LEU 82 Ca -0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jm7 h LEU 82 Cb 0.27 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1jm7 h LEU 82 CO 0.02 0.08 -0.01 0.58 0.09 0.00 0.00 178.44 179.19 1jm7 h VAL 83 N 0.13 1.26 -0.53 1.22 2.07 -1.49 -3.04 116.25 115.87 1jm7 h VAL 83 Ca 0.07 -1.83 -0.07 0.00 0.82 0.00 0.00 66.70 65.69 1jm7 h VAL 83 Cb 0.11 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1jm7 h VAL 83 CO -0.01 0.41 0.04 -0.33 0.02 0.00 0.00 177.57 177.70 1jm7 h GLU 84 N -0.95 0.88 -0.26 1.57 4.39 -1.40 -2.70 114.58 116.11 1jm7 h GLU 84 Ca -0.00 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.48 1jm7 h GLU 84 Cb 0.69 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 1jm7 h GLU 84 CO 0.00 0.85 0.13 0.93 -1.16 0.00 0.00 179.01 179.77 1jm7 h GLU 85 N 0.82 0.27 -0.34 2.33 4.39 0.47 -2.55 114.58 119.98 1jm7 h GLU 85 Ca 0.16 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.87 1jm7 h GLU 85 Cb 0.43 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 1jm7 h GLU 85 CO 0.02 0.18 0.18 1.25 -1.16 0.00 0.00 179.01 179.48 1jm7 h LEU 86 N 0.28 0.28 -1.97 1.33 5.85 -1.39 -1.44 115.31 118.25 1jm7 h LEU 86 Ca 0.10 0.01 0.17 0.00 0.84 0.00 0.00 57.88 59.00 1jm7 h LEU 86 Cb 0.02 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1jm7 h LEU 86 CO -0.06 0.20 0.43 0.25 -0.34 0.00 0.00 178.44 178.92 1jm7 h LEU 87 N 0.37 0.03 -0.37 2.25 5.85 -1.19 0.22 115.31 122.48 1jm7 h LEU 87 Ca 0.14 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.68 1jm7 h LEU 87 Cb 0.04 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1jm7 h LEU 87 CO -0.09 0.01 -0.82 0.11 -0.34 0.00 0.00 178.44 177.32 1jm7 h LYS 88 N 0.03 0.08 -0.07 1.25 1.57 -0.87 -2.65 116.57 115.90 1jm7 h LYS 88 Ca 0.29 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.87 1jm7 h LYS 88 Cb 1.10 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1jm7 h LYS 88 CO -0.01 0.86 -0.43 0.82 -0.57 0.00 0.00 179.45 180.12 1jm7 h ILE 89 N 0.05 1.32 0.15 1.86 2.04 -0.13 -2.58 117.51 120.21 1jm7 h ILE 89 Ca -0.02 -1.54 -0.31 0.00 1.00 0.00 0.00 64.86 63.99 1jm7 h ILE 89 Cb 1.44 1.74 0.03 0.00 -0.74 0.00 0.00 36.82 39.28 1jm7 h ILE 89 CO 0.11 0.45 -1.30 0.40 0.00 0.00 0.00 178.15 177.82 1jm7 h ILE 90 N 0.14 1.29 0.08 -0.67 2.04 -1.40 -2.96 117.51 116.04 1jm7 h ILE 90 Ca 0.01 -2.54 -0.00 0.00 1.00 0.00 0.00 64.86 63.33 1jm7 h ILE 90 Cb 0.81 2.78 -0.00 0.00 -0.74 0.00 0.00 36.82 39.68 1jm7 h ILE 90 CO 0.06 0.77 -0.05 0.00 0.00 0.00 0.00 178.15 178.94 1jm7 h ALA 92 N 0.80 0.29 -0.28 0.00 0.00 -1.58 -1.18 119.26 117.30 1jm7 h ALA 92 Ca -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1jm7 h ALA 92 Cb 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1jm7 h ALA 92 CO 0.01 -0.26 0.17 0.35 0.00 0.00 0.00 179.25 179.52 1jm7 h PHE 93 N 0.28 0.32 -0.07 0.00 3.57 -1.36 -1.92 116.94 117.76 1jm7 h PHE 93 Ca 0.09 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1jm7 h PHE 93 Cb -0.01 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.62 1jm7 h PHE 93 CO -0.08 0.19 0.03 1.96 -2.23 0.00 0.00 178.31 178.19 1jm7 h GLN 94 N 0.35 0.09 -0.22 1.11 4.20 -0.57 0.21 115.11 120.28 1jm7 h GLN 94 Ca 0.11 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1jm7 h GLN 94 Cb -0.02 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1jm7 h GLN 94 CO -0.04 0.08 0.15 1.25 -0.67 0.00 0.00 178.83 179.59 1jm7 h LEU 95 N 0.09 0.25 0.00 1.46 6.46 -0.40 -0.05 115.31 123.12 1jm7 h LEU 95 Ca 0.02 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1jm7 h LEU 95 Cb 0.02 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 39.89 1jm7 h LEU 95 CO -0.00 0.18 -0.12 -0.78 -0.62 0.00 0.00 178.44 177.09 1jm7 h ASP 96 N 0.30 0.00 0.28 1.25 1.82 -1.30 -3.42 116.42 115.35 1jm7 h ASP 96 Ca 0.08 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.71 1jm7 h ASP 96 Cb -0.03 0.00 0.00 0.00 0.68 0.00 0.00 39.33 39.98 1jm7 h ASP 96 CO -0.02 0.23 -0.14 0.71 -1.61 0.00 0.00 179.24 178.41 1jm7 h THR 97 N -0.34 0.74 -1.63 2.25 1.35 -0.75 -3.46 112.91 111.07 1jm7 h THR 97 Ca 0.00 -0.58 -0.26 0.00 -0.55 0.00 0.00 66.41 65.02 1jm7 h THR 97 Cb 0.12 1.05 -0.03 0.00 -1.73 0.00 0.00 68.15 67.56 1jm7 h THR 97 CO 0.00 0.12 -0.32 0.61 -0.25 0.00 0.00 175.52 175.68 1jm7 n GLY 98 N -0.36 0.09 3.88 5.82 0.00 -0.03 -4.80 105.19 109.78 1jm7 n GLY 98 Ca -0.09 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 1jm7 n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jm7 s LEU 99 N -3.57 2.65 0.45 0.99 1.02 -1.26 -4.99 118.68 113.96 1jm7 s LEU 99 Ca 0.00 1.00 -0.25 0.00 0.02 0.00 0.00 54.13 54.90 1jm7 s LEU 99 Cb 0.00 -3.62 -0.08 0.00 0.02 0.00 0.00 46.19 42.51 1jm7 s LEU 99 CO 0.00 -1.71 1.30 -1.61 0.02 0.00 0.00 176.35 174.35 1jm7 s GLU 100 N -5.42 3.75 0.14 1.70 2.02 -1.26 -4.90 118.70 114.73 1jm7 s GLU 100 Ca 0.60 2.12 0.00 0.00 0.02 0.00 0.00 54.97 57.71 1jm7 s GLU 100 Cb -0.12 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.53 1jm7 s GLU 100 CO 0.51 -0.66 0.00 0.98 0.02 0.00 0.00 175.26 176.11 1jm7 n TYR 101 N -0.23 -0.96 -3.64 1.61 9.36 -1.26 -4.97 117.16 117.06 1jm7 n TYR 101 Ca 0.06 0.17 -0.05 0.00 3.32 0.00 0.00 57.90 61.39 1jm7 n TYR 101 Cb 0.45 0.30 -0.07 0.00 -0.63 0.00 0.00 39.34 39.39 1jm7 n TYR 101 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1jm7 s ALA 102 N -2.00 -2.13 -2.00 2.98 0.00 -1.26 -4.99 121.76 112.36 1jm7 s ALA 102 Ca 0.00 2.08 0.01 0.00 0.00 0.00 0.00 51.96 54.05 1jm7 s ALA 102 Cb 0.00 -1.58 0.06 0.00 0.00 0.00 0.00 23.12 21.59 1jm7 s ALA 102 CO 0.00 -0.30 0.55 -1.71 0.00 0.00 0.00 175.76 174.30