#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 5.60 -2.51 6.12 9.92 -1.24 -4.38 116.55 130.06 1jm7 n ASP 2 Ca 0.00 -3.57 -0.20 0.00 -0.53 0.00 0.00 54.79 50.50 1jm7 n ASP 2 Cb 0.00 -0.90 -0.00 0.00 -0.64 0.00 0.00 41.12 39.58 1jm7 n ASP 2 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1jm7 n LEU 3 N -0.85 -1.91 -1.09 0.64 7.94 -1.26 -0.74 117.00 119.73 1jm7 n LEU 3 Ca 0.56 -0.03 -0.14 0.00 -1.11 0.00 0.00 56.01 55.29 1jm7 n LEU 3 Cb 1.11 -2.81 -0.06 0.00 0.53 0.00 0.00 43.42 42.19 1jm7 n LEU 3 CO 0.64 -0.14 -0.14 -1.20 -1.11 0.00 0.00 177.39 175.45 1jm7 n SER 4 N -2.05 -5.35 -1.66 1.96 7.64 -1.26 -2.11 113.62 110.78 1jm7 n SER 4 Ca -0.21 0.35 -0.17 0.00 1.01 0.00 0.00 58.87 59.85 1jm7 n SER 4 Cb 0.66 -4.10 -0.06 0.00 -1.01 0.00 0.00 64.21 59.70 1jm7 n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jm7 n ALA 5 N 1.26 -0.34 -2.62 -0.43 0.00 0.08 -4.91 120.51 113.56 1jm7 n ALA 5 Ca -0.14 0.26 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 1jm7 n ALA 5 Cb 0.57 -1.78 -0.05 0.00 0.00 0.00 0.00 19.45 18.20 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 -4.56 4.29 -1.50 0.00 0.05 -0.90 -4.15 118.68 111.92 1jm7 s LEU 6 Ca 0.00 -0.33 -0.13 0.00 0.05 0.00 0.00 54.13 53.72 1jm7 s LEU 6 Cb 0.00 -2.83 0.07 0.00 -2.05 0.00 0.00 46.19 41.38 1jm7 s LEU 6 CO 0.00 -1.05 1.01 -1.14 -0.55 0.00 0.00 176.35 174.62 1jm7 n ARG 7 N 6.97 -5.97 -0.10 1.48 0.63 -1.26 -4.87 116.66 113.53 1jm7 n ARG 7 Ca 0.01 0.65 -0.10 0.00 -0.92 0.00 0.00 57.85 57.48 1jm7 n ARG 7 Cb 0.47 -5.57 -0.16 0.00 0.45 0.00 0.00 32.46 27.65 1jm7 n ARG 7 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1jm7 n VAL 8 N -4.74 1.40 0.10 5.15 0.31 -1.26 -4.14 118.33 115.15 1jm7 n VAL 8 Ca 0.03 -0.85 -0.04 0.00 -0.01 0.00 0.00 64.34 63.47 1jm7 n VAL 8 Cb 0.53 -0.51 0.11 0.00 -0.91 0.00 0.00 33.84 33.06 1jm7 n VAL 8 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1jm7 h GLU 9 N 0.00 0.13 -0.08 5.55 4.11 -1.89 -2.96 114.58 119.44 1jm7 h GLU 9 Ca -0.55 -0.10 -0.01 0.00 0.07 0.00 0.00 59.36 58.76 1jm7 h GLU 9 Cb 2.23 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 31.50 1jm7 h GLU 9 CO 0.03 0.75 -0.01 0.93 0.07 0.00 0.00 179.01 180.78 1jm7 h GLU 10 N 0.09 0.14 0.47 1.06 5.08 -1.98 -2.82 114.58 116.62 1jm7 h GLU 10 Ca -0.01 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1jm7 h GLU 10 Cb 1.20 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1jm7 h GLU 10 CO 0.10 0.43 -0.31 0.28 -1.00 0.00 0.00 179.01 178.51 1jm7 h VAL 11 N -0.16 0.36 -1.06 3.13 2.07 -1.71 -2.09 116.25 116.79 1jm7 h VAL 11 Ca 0.02 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.83 1jm7 h VAL 11 Cb 0.37 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1jm7 h VAL 11 CO 0.01 0.00 0.73 0.06 0.02 0.00 0.00 177.57 178.39 1jm7 h GLN 12 N -0.75 0.14 -0.05 1.57 3.07 -1.58 0.80 115.11 118.30 1jm7 h GLN 12 Ca -0.05 -0.01 -0.12 0.00 0.09 0.00 0.00 58.65 58.56 1jm7 h GLN 12 Cb 0.62 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.14 1jm7 h GLN 12 CO 0.04 0.09 -0.51 -0.97 0.09 0.00 0.00 178.83 177.57 1jm7 h ASN 13 N 0.14 0.14 0.93 0.06 -1.24 -1.12 -2.40 115.58 112.09 1jm7 h ASN 13 Ca 0.54 -0.07 -0.21 0.00 0.71 0.00 0.00 56.30 57.27 1jm7 h ASN 13 Cb 1.84 -0.04 -0.03 0.00 0.73 0.00 0.00 38.32 40.83 1jm7 h ASN 13 CO -0.10 0.63 -0.99 0.58 -1.29 0.00 0.00 177.43 176.25 1jm7 h VAL 14 N 0.10 1.67 -0.16 2.57 2.07 0.92 -2.89 116.25 120.54 1jm7 h VAL 14 Ca 0.00 -3.27 -0.16 0.00 0.82 0.00 0.00 66.70 64.09 1jm7 h VAL 14 Cb 0.93 2.79 -0.01 0.00 -1.52 0.00 0.00 31.29 33.49 1jm7 h VAL 14 CO 0.07 0.94 -0.58 0.40 0.02 0.00 0.00 177.57 178.42 1jm7 h ILE 15 N 0.01 1.33 0.07 4.57 1.08 -1.04 -2.41 117.51 121.13 1jm7 h ILE 15 Ca -0.02 -1.85 -0.00 0.00 -0.39 0.00 0.00 64.86 62.59 1jm7 h ILE 15 Cb 1.73 1.84 0.00 0.00 -3.07 0.00 0.00 36.82 37.32 1jm7 h ILE 15 CO 0.13 0.57 -0.04 -1.13 -0.69 0.00 0.00 178.15 177.00 1jm7 h ASN 16 N 0.39 -0.08 -0.15 1.72 -0.73 -1.49 -2.83 115.58 112.40 1jm7 h ASN 16 Ca 0.00 -0.46 0.04 0.00 1.87 0.00 0.00 56.30 57.76 1jm7 h ASN 16 Cb 1.12 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.73 1jm7 h ASN 16 CO 0.11 0.44 0.11 0.00 -0.37 0.00 0.00 177.43 177.72 1jm7 h ALA 17 N 0.20 2.14 -0.30 1.57 0.00 -1.57 -1.83 119.26 119.47 1jm7 h ALA 17 Ca -0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1jm7 h ALA 17 Cb 0.53 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1jm7 h ALA 17 CO 0.02 -0.19 -0.14 1.98 0.00 0.00 0.00 179.25 180.92 1jm7 h MET 18 N 0.00 0.62 -0.03 0.00 1.85 -1.38 -2.89 114.93 113.09 1jm7 h MET 18 Ca 0.07 -0.27 0.01 0.00 -0.61 0.00 0.00 59.70 58.91 1jm7 h MET 18 Cb 0.30 -0.02 -0.00 0.00 0.43 0.00 0.00 31.60 32.31 1jm7 h MET 18 CO -0.00 0.84 0.02 0.37 -0.40 0.00 0.00 176.91 177.75 1jm7 h GLN 19 N 0.37 0.00 -0.74 0.39 4.15 -1.08 -1.97 115.11 116.23 1jm7 h GLN 19 Ca 0.07 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.52 1jm7 h GLN 19 Cb 0.65 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.30 1jm7 h GLN 19 CO 0.04 0.00 0.46 0.87 -1.93 0.00 0.00 178.83 178.28 1jm7 h LYS 20 N 0.00 0.87 0.00 1.69 1.79 -1.30 -0.99 116.57 118.63 1jm7 h LYS 20 Ca 0.01 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.36 1jm7 h LYS 20 Cb 0.06 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.50 1jm7 h LYS 20 CO -0.00 0.58 -0.35 0.82 -1.08 0.00 0.00 179.45 179.42 1jm7 h ILE 21 N 0.90 1.19 -0.83 1.86 5.03 -1.42 -2.72 117.51 121.52 1jm7 h ILE 21 Ca 0.30 -1.21 -0.51 0.00 -0.12 0.00 0.00 64.86 63.32 1jm7 h ILE 21 Cb 0.04 1.66 -0.28 0.00 -3.03 0.00 0.00 36.82 35.21 1jm7 h ILE 21 CO -0.12 0.34 0.37 0.18 -0.68 0.00 0.00 178.15 178.24 1jm7 n LEU 22 N -4.05 6.29 0.00 1.44 7.99 -0.52 -4.98 117.00 123.17 1jm7 n LEU 22 Ca -0.02 -4.07 0.00 0.00 -0.01 0.00 0.00 56.01 51.91 1jm7 n LEU 22 Cb 0.39 -0.78 0.00 0.00 -0.11 0.00 0.00 43.42 42.93 1jm7 n LEU 22 CO 0.38 1.41 0.00 1.21 -1.51 0.00 0.00 177.39 178.88 1jm7 n GLU 23 N -1.00 1.14 -4.70 3.23 2.13 -0.49 -4.27 120.64 116.68 1jm7 n GLU 23 Ca 0.53 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 58.02 1jm7 n GLU 23 Cb 1.06 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.65 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 2.41 2.43 0.04 0.00 -0.04 -1.26 -3.64 135.00 134.94 1jm7 n PRO 25 Ca -0.18 -1.90 0.00 0.00 -0.04 0.00 0.00 63.50 61.39 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 0.91 0.02 0.70 0.52 -6.64 -1.26 -4.75 119.36 108.85 1jm7 n ILE 26 Ca 0.17 0.01 0.08 0.00 -1.77 0.00 0.00 62.75 61.24 1jm7 n ILE 26 Cb 0.51 -0.55 0.01 0.00 -1.44 0.00 0.00 39.64 38.16 1jm7 n ILE 26 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1jm7 n LEU 28 N 0.03 -2.21 -4.37 0.00 7.99 -1.24 -4.98 117.00 112.22 1jm7 n LEU 28 Ca 0.07 -0.12 -0.34 0.00 -0.01 0.00 0.00 56.01 55.61 1jm7 n LEU 28 Cb 0.34 -2.90 -0.14 0.00 -0.11 0.00 0.00 43.42 40.62 1jm7 n LEU 28 CO 0.18 -0.05 -0.39 -1.61 -1.51 0.00 0.00 177.39 174.02 1jm7 s GLU 29 N -5.26 3.46 -0.83 3.23 0.41 -1.26 -4.69 118.70 113.76 1jm7 s GLU 29 Ca 0.11 -0.61 -0.30 0.00 -0.41 0.00 0.00 54.97 53.76 1jm7 s GLU 29 Cb -0.05 -2.90 -0.19 0.00 -1.78 0.00 0.00 34.13 29.20 1jm7 s GLU 29 CO 0.14 0.01 2.35 -0.11 -0.49 0.00 0.00 175.26 177.16 1jm7 n LEU 30 N 4.19 0.34 -4.66 1.80 7.94 -1.26 -4.21 117.00 121.14 1jm7 n LEU 30 Ca -0.18 0.24 -0.44 0.00 -1.11 0.00 0.00 56.01 54.53 1jm7 n LEU 30 Cb 0.52 -0.83 -0.02 0.00 0.53 0.00 0.00 43.42 43.62 1jm7 n LEU 30 CO 0.30 -0.66 0.84 2.30 -1.11 0.00 0.00 177.39 179.06 1jm7 n ILE 31 N 6.63 1.69 -0.08 1.96 -5.35 -1.26 -4.93 119.36 118.03 1jm7 n ILE 31 Ca 0.58 -0.42 -0.13 0.00 -0.27 0.00 0.00 62.75 62.50 1jm7 n ILE 31 Cb 0.02 -1.37 -0.06 0.00 -1.74 0.00 0.00 39.64 36.48 1jm7 n ILE 31 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1jm7 n LYS 32 N 1.01 0.35 -3.46 6.28 4.76 -1.26 -4.80 118.16 121.04 1jm7 n LYS 32 Ca 0.08 0.11 -0.38 0.00 -2.87 0.00 0.00 58.31 55.25 1jm7 n LYS 32 Cb 0.33 -1.18 -0.04 0.00 -1.84 0.00 0.00 35.03 32.31 1jm7 n LYS 32 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1jm7 n GLU 33 N -3.31 3.12 -1.68 1.97 1.02 -1.26 -4.89 120.64 115.61 1jm7 n GLU 33 Ca -0.28 -4.51 -0.47 0.00 -0.02 0.00 0.00 57.16 51.88 1jm7 n GLU 33 Cb 0.75 -2.44 -0.04 0.00 -0.02 0.00 0.00 31.44 29.68 1jm7 n GLU 33 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1jm7 n PRO 34 N 2.08 2.37 -4.57 3.49 -0.04 -1.24 -3.33 135.00 133.76 1jm7 n PRO 34 Ca 0.24 0.87 -0.24 0.00 -0.04 0.00 0.00 63.50 64.33 1jm7 n PRO 34 Cb 0.37 -2.74 -0.16 0.00 -0.04 0.00 0.00 33.50 30.93 1jm7 n PRO 34 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1jm7 s VAL 35 N 4.14 1.09 -0.16 0.52 0.11 -1.11 -3.30 120.40 121.67 1jm7 s VAL 35 Ca 0.92 -0.48 -0.28 0.00 -2.93 0.00 0.00 61.98 59.20 1jm7 s VAL 35 Cb -0.62 -0.98 -0.01 0.00 -1.53 0.00 0.00 36.38 33.24 1jm7 s VAL 35 CO 0.49 0.34 0.97 -0.94 -3.33 0.00 0.00 175.10 172.63 1jm7 s SER 36 N 0.45 7.12 0.45 3.54 1.04 -1.20 -2.29 113.70 122.81 1jm7 s SER 36 Ca -0.10 1.39 -0.01 0.00 0.48 0.00 0.00 55.95 57.71 1jm7 s SER 36 Cb -0.13 -2.52 -0.01 0.00 0.10 0.00 0.00 66.02 63.45 1jm7 s SER 36 CO 0.03 -0.51 0.69 0.42 0.98 0.00 0.00 173.24 174.84 1jm7 s THR 37 N 2.44 4.33 0.57 2.02 -4.23 0.26 -2.41 115.64 118.62 1jm7 s THR 37 Ca 0.44 -0.33 0.36 0.00 -1.18 0.00 0.00 61.69 60.98 1jm7 s THR 37 Cb -0.17 -3.61 0.53 0.00 1.34 0.00 0.00 72.50 70.58 1jm7 s THR 37 CO 0.13 -0.47 1.69 0.50 -0.54 0.00 0.00 174.62 175.92 1jm7 h LYS 38 N 0.39 0.00 -0.91 3.99 1.63 -1.84 0.99 116.57 120.82 1jm7 h LYS 38 Ca -0.47 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.08 1jm7 h LYS 38 Cb 1.24 0.00 -0.15 0.00 -0.60 0.00 0.00 32.23 32.72 1jm7 h LYS 38 CO 0.59 0.00 0.31 0.00 -3.45 0.00 0.00 179.45 176.91 1jm7 n ASP 40 N -0.31 -4.69 -4.57 0.00 2.03 0.34 -4.97 116.55 104.39 1jm7 n ASP 40 Ca 0.35 -0.67 -0.25 0.00 0.52 0.00 0.00 54.79 54.75 1jm7 n ASP 40 Cb 1.20 -3.77 -0.09 0.00 -0.72 0.00 0.00 41.12 37.74 1jm7 n ASP 40 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1jm7 s HIS 41 N -3.21 2.56 0.16 -0.67 3.76 -1.21 -4.82 115.29 111.85 1jm7 s HIS 41 Ca 0.59 -0.26 0.03 0.00 -0.15 0.00 0.00 55.06 55.27 1jm7 s HIS 41 Cb -0.30 -1.17 -0.03 0.00 1.11 0.00 0.00 32.58 32.19 1jm7 s HIS 41 CO 0.73 0.61 0.28 0.42 -0.85 0.00 0.00 174.74 175.92 1jm7 s ILE 42 N -2.15 5.25 0.28 0.60 -1.09 -1.25 0.90 121.20 123.75 1jm7 s ILE 42 Ca 0.29 -0.75 -0.05 0.00 -2.23 0.00 0.00 60.65 57.91 1jm7 s ILE 42 Cb -0.07 -3.71 0.02 0.00 -1.58 0.00 0.00 42.46 37.12 1jm7 s ILE 42 CO 0.17 -0.11 0.45 0.49 -1.23 0.00 0.00 174.94 174.71 1jm7 n PHE 43 N -0.60 -1.50 -1.03 3.97 3.01 -0.97 -4.76 117.46 115.58 1jm7 n PHE 43 Ca -0.07 -1.70 -0.01 0.00 1.01 0.00 0.00 57.45 56.68 1jm7 n PHE 43 Cb 0.54 0.52 0.32 0.00 -0.01 0.00 0.00 39.48 40.86 1jm7 n PHE 43 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jm7 n LYS 45 N -0.07 0.00 -0.12 0.00 0.00 -1.21 -4.16 118.16 112.60 1jm7 n LYS 45 Ca 0.35 0.00 0.11 0.00 0.00 0.00 0.00 58.31 58.77 1jm7 n LYS 45 Cb 1.26 0.00 0.46 0.00 0.00 0.00 0.00 35.03 36.76 1jm7 n LYS 45 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 1jm7 h PHE 46 N 0.00 0.52 -0.49 5.64 3.57 -1.93 -0.53 116.94 123.73 1jm7 h PHE 46 Ca 0.00 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.56 1jm7 h PHE 46 Cb 0.00 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 1jm7 h PHE 46 CO 0.00 0.25 0.33 0.00 -2.23 0.00 0.00 178.31 176.66 1jm7 h MET 48 N 0.47 0.38 -0.57 0.00 2.86 -1.44 -2.05 114.93 114.58 1jm7 h MET 48 Ca 0.21 -0.23 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1jm7 h MET 48 Cb 0.23 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1jm7 h MET 48 CO -0.05 0.81 0.35 -0.07 1.06 0.00 0.00 176.91 179.01 1jm7 h LEU 49 N 0.29 0.58 -0.21 1.22 4.07 -1.12 0.18 115.31 120.33 1jm7 h LEU 49 Ca 0.01 -0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.76 1jm7 h LEU 49 Cb 1.03 -0.13 0.01 0.00 1.08 0.00 0.00 40.66 42.65 1jm7 h LEU 49 CO 0.09 0.41 -0.68 0.11 -1.08 0.00 0.00 178.44 177.29 1jm7 h LYS 50 N 0.70 0.83 -0.04 1.13 6.56 -1.47 0.61 116.57 124.89 1jm7 h LYS 50 Ca 0.22 -0.61 -0.05 0.00 -1.06 0.00 0.00 60.65 59.15 1jm7 h LYS 50 Cb -0.01 0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.75 1jm7 h LYS 50 CO -0.08 1.23 -0.20 1.25 -2.06 0.00 0.00 179.45 179.59 1jm7 h LEU 51 N 0.58 0.06 0.00 2.94 5.85 -1.03 -2.13 115.31 121.59 1jm7 h LEU 51 Ca -0.03 -0.01 -0.29 0.00 0.84 0.00 0.00 57.88 58.39 1jm7 h LEU 51 Cb 1.30 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.26 1jm7 h LEU 51 CO 0.14 0.27 -1.92 0.18 -0.34 0.00 0.00 178.44 176.77 1jm7 n LEU 52 N -4.27 0.53 0.16 2.25 4.77 0.59 -4.15 117.00 116.87 1jm7 n LEU 52 Ca -0.02 0.25 0.03 0.00 -0.03 0.00 0.00 56.01 56.23 1jm7 n LEU 52 Cb 0.28 0.27 0.39 0.00 -2.33 0.00 0.00 43.42 42.02 1jm7 n LEU 52 CO 0.37 0.38 0.82 0.78 -1.33 0.00 0.00 177.39 178.41 1jm7 h ASN 53 N 0.00 0.12 -2.87 -1.43 4.21 0.49 -3.44 115.58 112.66 1jm7 h ASN 53 Ca -0.35 -0.03 -0.54 0.00 1.21 0.00 0.00 56.30 56.59 1jm7 h ASN 53 Cb 2.00 -0.03 0.07 0.00 -1.12 0.00 0.00 38.32 39.24 1jm7 h ASN 53 CO 0.05 0.36 0.92 0.00 -1.29 0.00 0.00 177.43 177.48 1jm7 n GLN 54 N -4.21 2.66 -1.10 0.81 10.64 -0.82 -4.82 117.38 120.54 1jm7 n GLN 54 Ca -0.02 0.95 -0.43 0.00 -1.83 0.00 0.00 57.00 55.68 1jm7 n GLN 54 Cb 0.32 -2.76 -0.07 0.00 -0.86 0.00 0.00 30.24 26.88 1jm7 n GLN 54 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 1jm7 n LYS 55 N 3.09 1.31 -0.41 2.61 2.85 -1.26 -3.95 118.16 122.39 1jm7 n LYS 55 Ca 0.13 -1.76 0.00 0.00 -1.05 0.00 0.00 58.31 55.63 1jm7 n LYS 55 Cb 0.35 -2.89 0.00 0.00 -0.65 0.00 0.00 35.03 31.84 1jm7 n LYS 55 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1jm7 n LYS 56 N 7.18 0.00 0.00 -1.58 4.81 -1.26 -5.14 118.16 122.16 1jm7 n LYS 56 Ca 0.49 -0.71 0.00 0.00 -0.87 0.00 0.00 58.31 57.23 1jm7 n LYS 56 Cb 0.41 -0.39 0.00 0.00 0.02 0.00 0.00 35.03 35.07 1jm7 n LYS 56 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jm7 n GLY 57 N 0.00 -0.22 3.49 3.14 0.00 -1.25 -4.86 105.19 105.49 1jm7 n GLY 57 Ca 0.00 -1.02 -0.45 0.00 0.00 0.00 0.00 46.02 44.54 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 0.69 -1.27 1.61 -0.02 -1.26 -4.86 135.00 129.88 1jm7 n PRO 58 Ca 0.00 0.24 -0.35 0.00 -2.02 0.00 0.00 63.50 61.37 1jm7 n PRO 58 Cb 0.00 -1.45 0.10 0.00 -0.02 0.00 0.00 33.50 32.13 1jm7 n PRO 58 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jm7 n SER 59 N 1.55 0.65 -4.09 2.55 2.88 0.35 -4.85 113.62 112.66 1jm7 n SER 59 Ca 0.13 0.64 -0.33 0.00 -1.33 0.00 0.00 58.87 57.98 1jm7 n SER 59 Cb 0.31 -1.44 -0.14 0.00 -0.75 0.00 0.00 64.21 62.18 1jm7 n SER 59 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1jm7 s GLN 60 N -3.60 2.12 -0.45 -1.46 -0.21 -1.26 -2.13 119.66 112.67 1jm7 s GLN 60 Ca 0.73 -1.46 -0.33 0.00 0.02 0.00 0.00 55.36 54.32 1jm7 s GLN 60 Cb -0.32 -3.07 -0.12 0.00 1.00 0.00 0.00 33.01 30.50 1jm7 s GLN 60 CO 0.51 -0.69 2.30 0.00 -2.12 0.00 0.00 175.29 175.28 1jm7 n PRO 62 N 8.40 0.05 0.09 0.00 -0.04 -1.26 -0.11 135.00 142.13 1jm7 n PRO 62 Ca 0.43 0.21 -0.17 0.00 -0.04 0.00 0.00 63.50 63.93 1jm7 n PRO 62 Cb 0.27 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.13 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 0.58 0.00 1.53 4.07 -1.86 -3.42 115.31 116.21 1jm7 h LEU 63 Ca 0.00 -0.54 -0.07 0.00 0.08 0.00 0.00 57.88 57.35 1jm7 h LEU 63 Cb 0.25 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 1jm7 h LEU 63 CO 0.00 1.37 -1.02 0.00 -1.08 0.00 0.00 178.44 177.72 1jm7 n LYS 65 N -3.38 0.00 0.00 0.00 -0.00 0.84 -5.09 118.16 110.53 1jm7 n LYS 65 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 1jm7 n LYS 65 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.48 1jm7 n LYS 65 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1jm7 n ASN 66 N 0.00 0.00 -1.29 -5.58 0.23 -0.83 -4.30 115.26 103.49 1jm7 n ASN 66 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1jm7 n ASN 66 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1jm7 n ASN 66 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1jm7 n ASP 67 N 0.00 -1.72 -3.64 0.53 2.03 -1.26 -3.38 116.55 109.11 1jm7 n ASP 67 Ca 0.00 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.16 1jm7 n ASP 67 Cb 0.00 -0.80 -0.08 0.00 -0.72 0.00 0.00 41.12 39.52 1jm7 n ASP 67 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1jm7 s ILE 68 N -2.86 0.00 0.16 5.18 1.01 -0.91 -3.90 121.20 119.89 1jm7 s ILE 68 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.55 1jm7 s ILE 68 Cb 0.00 -0.86 -0.02 0.00 0.01 0.00 0.00 42.46 41.59 1jm7 s ILE 68 CO 0.00 -0.02 0.21 0.42 0.00 0.00 0.00 174.94 175.55 1jm7 s THR 69 N -0.13 0.07 0.03 2.92 -4.23 -1.26 -0.50 115.64 112.54 1jm7 s THR 69 Ca -0.03 -1.58 -0.18 0.00 -1.18 0.00 0.00 61.69 58.71 1jm7 s THR 69 Cb -0.03 -1.95 -0.10 0.00 1.34 0.00 0.00 72.50 71.75 1jm7 s THR 69 CO 0.03 -0.32 1.26 0.11 -0.54 0.00 0.00 174.62 175.16 1jm7 h LYS 70 N 2.64 -0.62 -3.77 3.99 1.79 -1.97 -3.25 116.57 115.38 1jm7 h LYS 70 Ca -0.33 0.04 -0.56 0.00 -2.18 0.00 0.00 60.65 57.62 1jm7 h LYS 70 Cb 1.22 0.14 0.02 0.00 -1.58 0.00 0.00 32.23 32.03 1jm7 h LYS 70 CO 0.51 -0.42 2.81 -2.13 -1.08 0.00 0.00 179.45 179.14 1jm7 n ARG 71 N -3.75 2.29 0.06 3.15 3.00 -1.26 -3.79 116.66 116.36 1jm7 n ARG 71 Ca -0.08 -1.88 0.00 0.00 -0.00 0.00 0.00 57.85 55.89 1jm7 n ARG 71 Cb 0.26 -2.78 0.00 0.00 0.00 0.00 0.00 32.46 29.93 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 5.39 -0.55 -4.54 6.15 7.64 -1.22 -5.12 113.62 121.37 1jm7 n SER 72 Ca 0.53 0.21 -0.31 0.00 1.01 0.00 0.00 58.87 60.31 1jm7 n SER 72 Cb 0.27 0.68 0.19 0.00 -1.01 0.00 0.00 64.21 64.35 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 -2.81 0.85 -3.64 -3.43 -0.00 -1.25 -4.72 117.00 102.01 1jm7 n LEU 73 Ca 0.00 0.18 -0.03 0.00 -0.00 0.00 0.00 56.01 56.16 1jm7 n LEU 73 Cb 0.00 -1.33 -0.07 0.00 -0.00 0.00 0.00 43.42 42.02 1jm7 n LEU 73 CO 0.00 -2.80 0.68 0.00 -0.00 0.00 0.00 177.39 175.26 1jm7 s GLN 74 N -4.33 0.39 -0.51 1.47 0.00 -1.01 -5.01 119.66 110.66 1jm7 s GLN 74 Ca 0.65 0.66 -0.26 0.00 -0.00 0.00 0.00 55.36 56.41 1jm7 s GLN 74 Cb -0.23 0.09 -0.08 0.00 0.00 0.00 0.00 33.01 32.79 1jm7 s GLN 74 CO 0.62 -0.08 2.43 0.39 0.00 0.00 0.00 175.29 178.65 1jm7 n GLU 75 N 3.63 1.00 -0.01 9.60 1.02 -1.26 -3.24 120.64 131.38 1jm7 n GLU 75 Ca -0.18 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 56.97 1jm7 n GLU 75 Cb 0.58 -3.34 -0.12 0.00 -0.02 0.00 0.00 31.44 28.53 1jm7 n GLU 75 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1jm7 n SER 76 N 15.59 0.39 -2.91 1.62 7.64 -1.26 -5.00 113.62 129.69 1jm7 n SER 76 Ca 0.38 0.17 -0.04 0.00 1.01 0.00 0.00 58.87 60.39 1jm7 n SER 76 Cb 0.52 0.90 0.02 0.00 -1.01 0.00 0.00 64.21 64.63 1jm7 n SER 76 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1jm7 n THR 77 N -2.67 -8.76 -0.05 0.44 -1.04 -1.21 -4.98 114.28 96.01 1jm7 n THR 77 Ca -0.14 -0.49 -0.06 0.00 -2.04 0.00 0.00 64.05 61.31 1jm7 n THR 77 Cb 0.85 -6.38 -0.05 0.00 -1.82 0.00 0.00 70.33 62.93 1jm7 n THR 77 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1jm7 n ARG 78 N -2.06 1.04 -1.09 -2.82 0.63 -1.26 -4.62 116.66 106.48 1jm7 n ARG 78 Ca -0.02 0.04 -0.17 0.00 -0.92 0.00 0.00 57.85 56.78 1jm7 n ARG 78 Cb 0.53 -1.20 0.18 0.00 0.45 0.00 0.00 32.46 32.42 1jm7 n ARG 78 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1jm7 n PHE 79 N -2.64 2.36 -0.04 -0.14 3.01 -1.26 -4.62 117.46 114.14 1jm7 n PHE 79 Ca -0.16 -1.79 -0.01 0.00 1.01 0.00 0.00 57.45 56.49 1jm7 n PHE 79 Cb 0.71 -0.79 -0.00 0.00 -0.01 0.00 0.00 39.48 39.39 1jm7 n PHE 79 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1jm7 h SER 80 N 1.03 0.00 -0.16 4.37 4.64 -1.90 -3.27 113.55 118.26 1jm7 h SER 80 Ca 0.49 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.85 1jm7 h SER 80 Cb 2.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.48 1jm7 h SER 80 CO 0.86 0.41 0.11 1.56 -0.87 0.00 0.00 176.83 178.90 1jm7 h GLN 81 N -0.67 0.00 -0.09 4.77 1.08 -1.91 -0.20 115.11 118.08 1jm7 h GLN 81 Ca 0.00 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 1jm7 h GLN 81 Cb 0.14 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1jm7 h GLN 81 CO 0.00 0.00 -0.23 -0.07 -0.95 0.00 0.00 178.83 177.58 1jm7 h LEU 82 N 0.00 0.15 0.08 1.46 3.38 -1.83 0.29 115.31 118.84 1jm7 h LEU 82 Ca 0.07 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 1jm7 h LEU 82 Cb 0.30 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1jm7 h LEU 82 CO -0.00 0.40 -0.89 0.58 0.09 0.00 0.00 178.44 178.61 1jm7 h VAL 83 N 0.15 1.33 -0.25 1.22 2.07 -1.13 -3.00 116.25 116.64 1jm7 h VAL 83 Ca 0.03 -2.39 -0.03 0.00 0.82 0.00 0.00 66.70 65.12 1jm7 h VAL 83 Cb 0.50 2.94 -0.01 0.00 -1.52 0.00 0.00 31.29 33.19 1jm7 h VAL 83 CO 0.03 0.63 0.03 -0.33 0.02 0.00 0.00 177.57 177.95 1jm7 h GLU 84 N -0.59 0.42 -0.02 1.57 4.39 -1.23 -2.65 114.58 116.48 1jm7 h GLU 84 Ca -0.19 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1jm7 h GLU 84 Cb 1.48 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 30.08 1jm7 h GLU 84 CO 0.03 0.56 0.00 0.93 -1.16 0.00 0.00 179.01 179.37 1jm7 h GLU 85 N 0.22 0.01 -0.74 2.33 4.39 -0.59 -2.65 114.58 117.55 1jm7 h GLU 85 Ca 0.07 -0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.92 1jm7 h GLU 85 Cb 0.35 -0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.90 1jm7 h GLU 85 CO 0.01 0.01 0.26 1.25 -1.16 0.00 0.00 179.01 179.38 1jm7 h LEU 86 N 0.01 0.21 -1.17 1.33 5.85 -1.50 0.62 115.31 120.66 1jm7 h LEU 86 Ca 0.01 0.12 0.12 0.00 0.84 0.00 0.00 57.88 58.96 1jm7 h LEU 86 Cb 0.01 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 1jm7 h LEU 86 CO -0.01 0.07 0.59 -0.07 -0.34 0.00 0.00 178.44 178.68 1jm7 h LEU 87 N 0.39 0.80 -1.07 2.25 3.38 -1.11 0.62 115.31 120.57 1jm7 h LEU 87 Ca 0.41 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.34 1jm7 h LEU 87 Cb 0.64 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1jm7 h LEU 87 CO -0.42 0.44 -0.34 0.07 0.09 0.00 0.00 178.44 178.28 1jm7 h LYS 88 N 0.87 0.00 -0.29 1.13 5.09 -0.71 -2.94 116.57 119.72 1jm7 h LYS 88 Ca 0.45 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 61.06 1jm7 h LYS 88 Cb 0.51 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.84 1jm7 h LYS 88 CO -0.21 0.34 -0.31 0.82 -2.09 0.00 0.00 179.45 178.00 1jm7 h ILE 89 N 0.00 1.30 -0.28 0.07 2.04 -0.35 -2.96 117.51 117.32 1jm7 h ILE 89 Ca -0.00 -1.48 -0.08 0.00 1.00 0.00 0.00 64.86 64.30 1jm7 h ILE 89 Cb 0.81 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 1jm7 h ILE 89 CO 0.04 0.47 -0.15 0.40 0.00 0.00 0.00 178.15 178.92 1jm7 h ILE 90 N 0.47 1.24 -0.74 -0.67 2.04 -1.36 -2.80 117.51 115.69 1jm7 h ILE 90 Ca 0.04 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.82 1jm7 h ILE 90 Cb 0.88 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 1jm7 h ILE 90 CO 0.08 0.34 0.35 0.00 0.00 0.00 0.00 178.15 178.92 1jm7 h ALA 92 N 1.17 1.16 0.39 0.00 0.00 -1.34 -1.19 119.26 119.46 1jm7 h ALA 92 Ca 0.25 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1jm7 h ALA 92 Cb 0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1jm7 h ALA 92 CO -0.03 0.54 -0.23 0.35 0.00 0.00 0.00 179.25 179.88 1jm7 h PHE 93 N 0.61 -0.59 -0.01 0.00 3.57 -1.22 -2.34 116.94 116.97 1jm7 h PHE 93 Ca 0.12 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 1jm7 h PHE 93 Cb 0.48 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 1jm7 h PHE 93 CO 0.02 -0.36 -0.34 1.96 -2.23 0.00 0.00 178.31 177.36 1jm7 h GLN 94 N -0.59 0.02 -0.99 1.11 4.20 -1.44 0.75 115.11 118.16 1jm7 h GLN 94 Ca -0.05 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.69 1jm7 h GLN 94 Cb 0.48 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.20 1jm7 h GLN 94 CO 0.06 0.35 0.65 1.25 -0.67 0.00 0.00 178.83 180.47 1jm7 h LEU 95 N 0.01 1.10 0.00 1.46 6.46 -0.82 -2.04 115.31 121.48 1jm7 h LEU 95 Ca -0.00 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1jm7 h LEU 95 Cb 0.61 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 1jm7 h LEU 95 CO 0.04 0.77 0.00 0.47 -0.62 0.00 0.00 178.44 179.10 1jm7 n ASP 96 N -4.43 0.00 0.17 1.25 9.92 -0.91 -4.74 116.55 117.81 1jm7 n ASP 96 Ca 0.13 0.03 -0.14 0.00 -0.53 0.00 0.00 54.79 54.27 1jm7 n ASP 96 Cb 0.07 -0.37 -0.08 0.00 -0.64 0.00 0.00 41.12 40.10 1jm7 n ASP 96 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1jm7 h THR 97 N 0.00 0.73 0.00 -3.53 1.35 -1.05 -3.43 112.91 106.99 1jm7 h THR 97 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1jm7 h THR 97 Cb 0.00 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.17 1jm7 h THR 97 CO 0.00 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1jm7 n GLY 98 N -1.22 0.54 3.92 5.82 0.00 -0.77 -3.66 105.19 109.82 1jm7 n GLY 98 Ca -0.10 -0.83 -0.26 0.00 0.00 0.00 0.00 46.02 44.83 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 0.00 3.62 0.54 0.99 1.02 -1.26 -4.94 118.68 118.64 1jm7 s LEU 99 Ca 0.00 0.72 -0.20 0.00 0.02 0.00 0.00 54.13 54.68 1jm7 s LEU 99 Cb 0.00 -3.63 -0.06 0.00 0.02 0.00 0.00 46.19 42.52 1jm7 s LEU 99 CO 0.00 -0.64 1.14 -1.61 0.02 0.00 0.00 176.35 175.26 1jm7 s GLU 100 N -4.70 3.38 -0.10 1.70 2.02 -1.26 -4.64 118.70 115.10 1jm7 s GLU 100 Ca 0.48 1.64 -0.11 0.00 0.02 0.00 0.00 54.97 57.00 1jm7 s GLU 100 Cb -0.10 -2.04 -0.05 0.00 0.10 0.00 0.00 34.13 32.04 1jm7 s GLU 100 CO 0.43 -0.84 -0.22 0.98 0.02 0.00 0.00 175.26 175.63 1jm7 n TYR 101 N -1.23 0.00 -3.61 1.61 9.36 -1.26 -5.06 117.16 116.97 1jm7 n TYR 101 Ca 0.11 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.28 1jm7 n TYR 101 Cb 0.51 -0.40 -0.04 0.00 -0.63 0.00 0.00 39.34 38.78 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 -2.51 -2.04 0.00 2.98 0.00 -1.26 -4.95 121.76 113.98 1jm7 s ALA 102 Ca -0.20 1.73 0.00 0.00 0.00 0.00 0.00 51.96 53.49 1jm7 s ALA 102 Cb 0.04 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 22.17 1jm7 s ALA 102 CO 0.28 -0.32 0.00 0.09 0.00 0.00 0.00 175.76 175.81