#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jm7 s ASP 2 N 0.00 3.91 -1.33 3.17 1.11 -1.26 -4.55 116.67 117.73 1jm7 s ASP 2 Ca 0.00 2.46 -0.08 0.00 0.18 0.00 0.00 52.55 55.11 1jm7 s ASP 2 Cb 0.00 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.36 1jm7 s ASP 2 CO 0.00 -2.46 2.83 0.18 1.18 0.00 0.00 175.17 176.91 1jm7 n LEU 3 N -2.84 8.13 -0.69 1.23 4.32 -1.26 -4.53 117.00 121.36 1jm7 n LEU 3 Ca 0.14 -4.41 -0.09 0.00 -0.02 0.00 0.00 56.01 51.63 1jm7 n LEU 3 Cb 0.50 -1.47 -0.04 0.00 -1.62 0.00 0.00 43.42 40.79 1jm7 n LEU 3 CO 0.48 2.02 -0.09 -1.20 -1.22 0.00 0.00 177.39 177.39 1jm7 n SER 4 N 2.76 -5.18 -1.74 -1.43 7.64 -1.26 -2.54 113.62 111.88 1jm7 n SER 4 Ca 0.69 0.22 -0.14 0.00 1.01 0.00 0.00 58.87 60.65 1jm7 n SER 4 Cb 0.31 -3.47 -0.04 0.00 -1.01 0.00 0.00 64.21 60.00 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 1.17 -0.38 0.02 -0.43 0.00 -1.26 -4.79 120.51 114.83 1jm7 n ALA 5 Ca -0.09 0.20 0.17 0.00 0.00 0.00 0.00 53.44 53.71 1jm7 n ALA 5 Cb 0.48 -1.55 0.65 0.00 0.00 0.00 0.00 19.45 19.02 1jm7 n ALA 5 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1jm7 h LEU 6 N 0.00 0.07 0.00 0.00 3.38 -1.90 -3.44 115.31 113.42 1jm7 h LEU 6 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1jm7 h LEU 6 Cb 1.04 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1jm7 h LEU 6 CO 0.42 0.04 0.00 -2.11 0.09 0.00 0.00 178.44 176.89 1jm7 n ARG 7 N -4.42 0.00 0.00 1.13 1.85 -1.26 -5.05 116.66 108.90 1jm7 n ARG 7 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.93 1jm7 n ARG 7 Cb 0.49 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.90 1jm7 n ARG 7 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1jm7 n VAL 8 N -0.84 0.00 0.02 8.89 0.31 -1.26 -3.73 118.33 121.71 1jm7 n VAL 8 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 64.34 64.50 1jm7 n VAL 8 Cb 0.00 0.00 0.64 0.00 -0.91 0.00 0.00 33.84 33.57 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 0.08 0.40 5.55 9.09 -1.97 0.37 114.58 128.10 1jm7 h GLU 9 Ca 0.00 -0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 1jm7 h GLU 9 Cb 0.00 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.09 1jm7 h GLU 9 CO 0.00 0.05 -0.19 1.49 0.05 0.00 0.00 179.01 180.41 1jm7 h GLU 10 N 0.08 -0.52 -0.96 1.06 4.22 -1.97 -2.92 114.58 113.57 1jm7 h GLU 10 Ca 0.22 0.04 0.02 0.00 0.08 0.00 0.00 59.36 59.72 1jm7 h GLU 10 Cb 0.77 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 1jm7 h GLU 10 CO -0.02 -0.34 0.64 0.28 -2.18 0.00 0.00 179.01 177.39 1jm7 h VAL 11 N -1.14 1.21 -0.49 0.32 2.07 -1.80 -2.49 116.25 113.93 1jm7 h VAL 11 Ca -0.05 -0.44 0.08 0.00 0.82 0.00 0.00 66.70 67.11 1jm7 h VAL 11 Cb 0.42 -0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 29.96 1jm7 h VAL 11 CO 0.09 0.23 0.13 -0.61 0.02 0.00 0.00 177.57 177.43 1jm7 h GLN 12 N 1.27 0.27 -0.18 1.57 5.75 -0.36 0.04 115.11 123.47 1jm7 h GLN 12 Ca 0.37 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.84 1jm7 h GLN 12 Cb -0.09 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.39 1jm7 h GLN 12 CO -0.09 0.18 0.08 -0.97 -2.65 0.00 0.00 178.83 175.38 1jm7 h ASN 13 N 0.28 0.22 -0.32 -0.69 -0.73 -1.24 -2.28 115.58 110.81 1jm7 h ASN 13 Ca 0.24 -0.01 -0.09 0.00 1.87 0.00 0.00 56.30 58.31 1jm7 h ASN 13 Cb 0.30 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.83 1jm7 h ASN 13 CO -0.29 0.19 -0.16 0.58 -0.37 0.00 0.00 177.43 177.39 1jm7 h VAL 14 N 0.25 1.29 -0.61 2.57 2.07 -0.82 -1.17 116.25 119.83 1jm7 h VAL 14 Ca 0.06 -1.27 0.03 0.00 0.82 0.00 0.00 66.70 66.35 1jm7 h VAL 14 Cb 0.04 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1jm7 h VAL 14 CO -0.01 0.41 0.37 0.40 0.02 0.00 0.00 177.57 178.76 1jm7 h ILE 15 N 0.43 1.07 -0.22 4.57 1.08 -0.74 -0.61 117.51 123.09 1jm7 h ILE 15 Ca 0.07 -0.25 -0.07 0.00 -0.39 0.00 0.00 64.86 64.22 1jm7 h ILE 15 Cb 0.69 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 34.71 1jm7 h ILE 15 CO 0.05 0.13 -0.13 -1.13 -0.69 0.00 0.00 178.15 176.38 1jm7 h ASN 16 N 0.73 0.50 -0.41 1.72 -1.24 -1.45 -2.78 115.58 112.65 1jm7 h ASN 16 Ca 0.24 -0.43 0.04 0.00 0.71 0.00 0.00 56.30 56.86 1jm7 h ASN 16 Cb 0.02 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 38.91 1jm7 h ASN 16 CO -0.10 0.82 0.27 0.00 -1.29 0.00 0.00 177.43 177.13 1jm7 h ALA 17 N 0.70 1.86 -0.04 1.57 0.00 -0.93 -0.88 119.26 121.55 1jm7 h ALA 17 Ca 0.05 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1jm7 h ALA 17 Cb 0.64 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1jm7 h ALA 17 CO 0.04 0.08 -0.57 1.98 0.00 0.00 0.00 179.25 180.78 1jm7 h MET 18 N 0.42 0.12 0.00 0.00 1.85 -0.98 -2.93 114.93 113.40 1jm7 h MET 18 Ca 0.17 -0.08 -0.07 0.00 -0.61 0.00 0.00 59.70 59.11 1jm7 h MET 18 Cb 0.15 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.18 1jm7 h MET 18 CO -0.04 0.65 -0.35 0.37 -0.40 0.00 0.00 176.91 177.14 1jm7 h GLN 19 N 0.09 0.00 -0.56 0.39 4.15 -0.89 -2.79 115.11 115.51 1jm7 h GLN 19 Ca -0.00 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.50 1jm7 h GLN 19 Cb 1.03 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.69 1jm7 h GLN 19 CO 0.08 0.35 0.37 -0.22 -1.93 0.00 0.00 178.83 177.49 1jm7 h LYS 20 N 0.00 0.42 0.00 1.69 3.11 -1.30 0.12 116.57 120.60 1jm7 h LYS 20 Ca -0.00 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.79 1jm7 h LYS 20 Cb 0.66 -0.09 -0.00 0.00 -1.00 0.00 0.00 32.23 31.80 1jm7 h LYS 20 CO 0.05 0.28 -0.08 0.82 -2.81 0.00 0.00 179.45 177.70 1jm7 h ILE 21 N 0.43 0.22 -0.86 2.00 5.03 -1.63 -3.03 117.51 119.68 1jm7 h ILE 21 Ca 0.25 -0.70 -0.57 0.00 -0.12 0.00 0.00 64.86 63.72 1jm7 h ILE 21 Cb 0.43 1.57 -0.41 0.00 -3.03 0.00 0.00 36.82 35.38 1jm7 h ILE 21 CO -0.07 0.08 -0.64 0.18 -0.68 0.00 0.00 178.15 177.03 1jm7 n LEU 22 N -3.23 5.19 0.00 1.44 7.99 0.37 -5.04 117.00 123.72 1jm7 n LEU 22 Ca 0.00 -4.75 -0.13 0.00 -0.01 0.00 0.00 56.01 51.12 1jm7 n LEU 22 Cb 0.34 -0.42 0.02 0.00 -0.11 0.00 0.00 43.42 43.25 1jm7 n LEU 22 CO 0.29 2.06 0.14 1.21 -1.51 0.00 0.00 177.39 179.58 1jm7 n GLU 23 N -0.71 0.88 -4.52 3.23 2.13 -0.99 -3.90 120.64 116.76 1jm7 n GLU 23 Ca 0.45 -1.88 -0.34 0.00 0.66 0.00 0.00 57.16 56.05 1jm7 n GLU 23 Cb 0.91 0.01 -0.10 0.00 0.27 0.00 0.00 31.44 32.52 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 2.17 0.04 0.00 0.00 -0.04 -1.26 -3.65 135.00 132.26 1jm7 n PRO 25 Ca -0.18 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 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 -1.46 0.00 0.36 0.52 -5.35 -1.26 -4.83 119.36 107.34 1jm7 n ILE 26 Ca 0.05 0.00 0.07 0.00 -0.27 0.00 0.00 62.75 62.61 1jm7 n ILE 26 Cb 0.34 -0.44 -0.10 0.00 -1.74 0.00 0.00 39.64 37.69 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 -1.68 -1.76 -4.37 0.00 7.99 -1.24 -4.97 117.00 110.97 1jm7 n LEU 28 Ca 0.00 0.17 -0.34 0.00 -0.01 0.00 0.00 56.01 55.83 1jm7 n LEU 28 Cb 0.31 -2.85 -0.14 0.00 -0.11 0.00 0.00 43.42 40.64 1jm7 n LEU 28 CO 0.31 -0.52 -0.39 -1.61 -1.51 0.00 0.00 177.39 173.67 1jm7 s GLU 29 N -4.54 3.45 -0.76 3.23 2.02 -1.26 -4.73 118.70 116.11 1jm7 s GLU 29 Ca 0.00 -0.61 -0.29 0.00 0.02 0.00 0.00 54.97 54.09 1jm7 s GLU 29 Cb 0.00 -2.91 -0.18 0.00 0.10 0.00 0.00 34.13 31.14 1jm7 s GLU 29 CO 0.00 -0.00 2.20 -0.11 0.02 0.00 0.00 175.26 177.37 1jm7 n LEU 30 N 4.22 0.34 -4.63 1.80 7.94 -1.26 -4.11 117.00 121.29 1jm7 n LEU 30 Ca -0.18 0.25 -0.46 0.00 -1.11 0.00 0.00 56.01 54.52 1jm7 n LEU 30 Cb 0.52 -0.78 -0.03 0.00 0.53 0.00 0.00 43.42 43.66 1jm7 n LEU 30 CO 0.30 -0.63 0.84 2.30 -1.11 0.00 0.00 177.39 179.10 1jm7 n ILE 31 N 6.22 1.23 -0.05 1.96 -5.35 -1.25 -4.91 119.36 117.22 1jm7 n ILE 31 Ca 0.54 -0.31 -0.06 0.00 -0.27 0.00 0.00 62.75 62.65 1jm7 n ILE 31 Cb 0.01 -1.23 -0.05 0.00 -1.74 0.00 0.00 39.64 36.63 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 1.56 1.04 -3.75 6.28 4.76 -1.26 -4.84 118.16 121.95 1jm7 n LYS 32 Ca 0.11 0.04 -0.33 0.00 -2.87 0.00 0.00 58.31 55.26 1jm7 n LYS 32 Cb 0.30 -1.20 -0.09 0.00 -1.84 0.00 0.00 35.03 32.20 1jm7 n LYS 32 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1jm7 s GLU 33 N -2.20 2.87 0.31 1.97 8.01 -1.26 -4.93 118.70 123.46 1jm7 s GLU 33 Ca -0.11 -3.21 -0.27 0.00 0.01 0.00 0.00 54.97 51.39 1jm7 s GLU 33 Cb 0.03 -3.72 -0.14 0.00 -4.31 0.00 0.00 34.13 26.00 1jm7 s GLU 33 CO 0.26 -1.26 0.93 -2.30 0.01 0.00 0.00 175.26 172.91 1jm7 n PRO 34 N 2.34 1.17 -3.69 0.39 -0.02 -1.26 -3.01 135.00 130.92 1jm7 n PRO 34 Ca 0.19 0.41 -0.11 0.00 -2.02 0.00 0.00 63.50 61.97 1jm7 n PRO 34 Cb 0.36 -1.76 -0.12 0.00 -0.02 0.00 0.00 33.50 31.96 1jm7 n PRO 34 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1jm7 s VAL 35 N -1.11 -0.20 -0.32 -1.45 0.11 -1.10 0.10 120.40 116.44 1jm7 s VAL 35 Ca 0.60 0.15 -0.17 0.00 -2.93 0.00 0.00 61.98 59.63 1jm7 s VAL 35 Cb -0.70 -0.53 -0.01 0.00 -1.53 0.00 0.00 36.38 33.61 1jm7 s VAL 35 CO 0.59 0.06 0.48 -0.94 -3.33 0.00 0.00 175.10 171.97 1jm7 s SER 36 N 1.73 6.32 0.68 3.54 1.04 -0.73 -2.54 113.70 123.73 1jm7 s SER 36 Ca -0.06 0.13 -0.11 0.00 0.48 0.00 0.00 55.95 56.38 1jm7 s SER 36 Cb -0.10 -2.26 -0.00 0.00 0.10 0.00 0.00 66.02 63.76 1jm7 s SER 36 CO -0.11 -0.38 1.07 0.42 0.98 0.00 0.00 173.24 175.22 1jm7 s THR 37 N 2.30 3.95 0.57 2.02 -4.23 0.60 -3.44 115.64 117.41 1jm7 s THR 37 Ca 0.18 0.63 0.32 0.00 -1.18 0.00 0.00 61.69 61.65 1jm7 s THR 37 Cb -0.16 -3.61 0.47 0.00 1.34 0.00 0.00 72.50 70.54 1jm7 s THR 37 CO 0.12 -0.83 1.74 0.50 -0.54 0.00 0.00 174.62 175.61 1jm7 h LYS 38 N -0.55 0.00 -0.61 3.99 3.64 -1.91 1.21 116.57 122.34 1jm7 h LYS 38 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1jm7 h LYS 38 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1jm7 h LYS 38 CO 0.63 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.81 1jm7 n ASP 40 N 0.55 -5.06 -4.67 0.00 2.03 0.42 -5.01 116.55 104.81 1jm7 n ASP 40 Ca 0.16 -0.45 -0.30 0.00 0.52 0.00 0.00 54.79 54.71 1jm7 n ASP 40 Cb 0.62 -4.22 -0.08 0.00 -0.72 0.00 0.00 41.12 36.71 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 -3.27 2.96 0.10 -0.67 3.76 -1.22 -4.82 115.29 112.14 1jm7 s HIS 41 Ca 0.41 -0.03 -0.01 0.00 -0.15 0.00 0.00 55.06 55.28 1jm7 s HIS 41 Cb -0.18 -1.54 -0.04 0.00 1.11 0.00 0.00 32.58 31.92 1jm7 s HIS 41 CO 0.60 0.47 0.27 0.42 -0.85 0.00 0.00 174.74 175.65 1jm7 s ILE 42 N -1.26 5.31 0.30 0.60 -1.09 -1.26 -0.29 121.20 123.51 1jm7 s ILE 42 Ca 0.24 -0.32 -0.17 0.00 -2.23 0.00 0.00 60.65 58.17 1jm7 s ILE 42 Cb -0.12 -3.65 0.02 0.00 -1.58 0.00 0.00 42.46 37.14 1jm7 s ILE 42 CO 0.16 0.06 0.67 -0.36 -1.23 0.00 0.00 174.94 174.25 1jm7 s PHE 43 N -1.60 0.06 -0.43 3.97 0.40 -1.05 -4.73 117.98 114.59 1jm7 s PHE 43 Ca 0.37 -0.53 0.03 0.00 -0.60 0.00 0.00 56.93 56.19 1jm7 s PHE 43 Cb -0.12 0.58 0.58 0.00 0.51 0.00 0.00 43.02 44.57 1jm7 s PHE 43 CO 0.27 -1.25 1.85 0.00 0.70 0.00 0.00 175.22 176.79 1jm7 n LYS 45 N -0.94 0.00 -0.28 0.00 3.00 -1.16 -4.36 118.16 114.42 1jm7 n LYS 45 Ca 0.54 0.00 0.34 0.00 -0.00 0.00 0.00 58.31 59.19 1jm7 n LYS 45 Cb 1.45 0.00 0.73 0.00 0.00 0.00 0.00 35.03 37.22 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 0.00 -0.83 5.64 3.57 -1.92 0.37 116.94 123.76 1jm7 h PHE 46 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1jm7 h PHE 46 Cb 0.00 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1jm7 h PHE 46 CO 0.00 0.00 0.52 0.00 -2.23 0.00 0.00 178.31 176.60 1jm7 h MET 48 N 1.14 1.11 -0.10 0.00 2.86 -0.63 0.81 114.93 120.12 1jm7 h MET 48 Ca 0.30 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.84 1jm7 h MET 48 Cb -0.07 -0.25 -0.00 0.00 0.06 0.00 0.00 31.60 31.34 1jm7 h MET 48 CO -0.06 0.74 -0.06 -0.07 1.06 0.00 0.00 176.91 178.52 1jm7 h LEU 49 N 1.15 0.23 -0.55 1.22 4.07 -1.43 0.43 115.31 120.42 1jm7 h LEU 49 Ca 0.35 -0.42 -0.14 0.00 0.08 0.00 0.00 57.88 57.74 1jm7 h LEU 49 Cb -0.03 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 1jm7 h LEU 49 CO -0.10 0.60 -0.37 0.11 -1.08 0.00 0.00 178.44 177.60 1jm7 h LYS 50 N -0.15 0.76 -0.02 1.13 1.57 -1.04 0.92 116.57 119.74 1jm7 h LYS 50 Ca 0.02 -0.38 -0.12 0.00 -1.87 0.00 0.00 60.65 58.30 1jm7 h LYS 50 Cb 0.52 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1jm7 h LYS 50 CO 0.02 1.00 -0.56 1.25 -0.57 0.00 0.00 179.45 180.58 1jm7 h LEU 51 N 0.63 0.08 0.10 2.94 5.85 0.64 0.86 115.31 126.41 1jm7 h LEU 51 Ca 0.06 -0.04 -0.28 0.00 0.84 0.00 0.00 57.88 58.46 1jm7 h LEU 51 Cb 0.92 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1jm7 h LEU 51 CO 0.08 0.63 -1.35 -0.07 -0.34 0.00 0.00 178.44 177.39 1jm7 h LEU 52 N 0.06 0.32 -1.69 2.25 3.38 -0.75 -3.27 115.31 115.61 1jm7 h LEU 52 Ca -0.00 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1jm7 h LEU 52 Cb 1.01 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1jm7 h LEU 52 CO 0.08 1.32 -0.05 -3.20 0.09 0.00 0.00 178.44 176.68 1jm7 n ASN 53 N -3.45 2.68 0.00 -0.43 2.85 0.30 -3.83 115.26 113.39 1jm7 n ASN 53 Ca -0.11 -1.87 0.00 0.00 -0.11 0.00 0.00 54.58 52.49 1jm7 n ASN 53 Cb 1.02 0.05 0.00 0.00 1.24 0.00 0.00 39.78 42.09 1jm7 n ASN 53 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1jm7 n GLN 54 N 1.03 0.00 -1.14 1.20 1.13 0.30 -3.78 117.38 116.12 1jm7 n GLN 54 Ca 0.14 0.23 -0.18 0.00 -1.94 0.00 0.00 57.00 55.25 1jm7 n GLN 54 Cb 0.55 -1.21 0.20 0.00 0.11 0.00 0.00 30.24 29.89 1jm7 n GLN 54 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1jm7 n LYS 55 N -1.17 2.46 -1.49 -1.09 4.01 -1.26 -5.05 118.16 114.57 1jm7 n LYS 55 Ca 0.00 -3.05 0.15 0.00 -0.51 0.00 0.00 58.31 54.90 1jm7 n LYS 55 Cb 0.00 -2.14 -0.08 0.00 -0.51 0.00 0.00 35.03 32.30 1jm7 n LYS 55 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1jm7 n LYS 56 N -0.97 -3.54 0.00 1.97 5.02 -1.25 -4.94 118.16 114.44 1jm7 n LYS 56 Ca 0.53 2.88 0.00 0.00 -2.02 0.00 0.00 58.31 59.70 1jm7 n LYS 56 Cb 1.55 -4.00 0.00 0.00 -0.02 0.00 0.00 35.03 32.56 1jm7 n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jm7 n GLY 57 N -4.09 0.17 3.50 0.72 0.00 -1.25 -4.83 105.19 99.40 1jm7 n GLY 57 Ca -0.08 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 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 0.41 -2.86 1.61 -0.02 -1.26 -4.63 135.00 128.25 1jm7 n PRO 58 Ca 0.00 0.18 -0.40 0.00 -2.02 0.00 0.00 63.50 61.26 1jm7 n PRO 58 Cb 0.00 -1.88 -0.06 0.00 -0.02 0.00 0.00 33.50 31.54 1jm7 n PRO 58 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1jm7 s SER 59 N -1.42 7.47 -0.35 2.55 1.04 0.15 -4.79 113.70 118.34 1jm7 s SER 59 Ca 0.68 1.74 -0.16 0.00 0.48 0.00 0.00 55.95 58.69 1jm7 s SER 59 Cb -0.37 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.20 1jm7 s SER 59 CO 0.55 0.11 0.38 -1.10 0.98 0.00 0.00 173.24 174.16 1jm7 s GLN 60 N -0.75 3.52 -0.15 4.02 -0.21 -1.23 0.80 119.66 125.65 1jm7 s GLN 60 Ca 0.40 -0.43 -0.33 0.00 0.02 0.00 0.00 55.36 55.02 1jm7 s GLN 60 Cb -0.24 -3.82 -0.10 0.00 1.00 0.00 0.00 33.01 29.85 1jm7 s GLN 60 CO 0.28 -0.57 2.00 0.00 -2.12 0.00 0.00 175.29 174.88 1jm7 n PRO 62 N 7.30 1.54 0.00 0.00 -0.04 -1.26 -2.41 135.00 140.14 1jm7 n PRO 62 Ca 0.27 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.66 1jm7 n PRO 62 Cb 0.31 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1jm7 n PRO 62 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1jm7 n LEU 63 N 0.66 0.26 -1.07 1.53 4.32 -1.26 -4.92 117.00 116.53 1jm7 n LEU 63 Ca 0.20 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 56.23 1jm7 n LEU 63 Cb 0.57 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.43 1jm7 n LEU 63 CO 0.26 -0.20 0.18 0.00 -1.22 0.00 0.00 177.39 176.40 1jm7 n LYS 65 N -0.01 -1.56 0.00 0.00 3.00 -1.01 -4.94 118.16 113.64 1jm7 n LYS 65 Ca 0.08 0.92 0.00 0.00 -0.00 0.00 0.00 58.31 59.31 1jm7 n LYS 65 Cb 0.95 -5.33 0.00 0.00 0.00 0.00 0.00 35.03 30.65 1jm7 n LYS 65 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1jm7 n ASN 66 N -1.21 -1.43 -3.60 3.14 5.15 -1.23 -4.74 115.26 111.33 1jm7 n ASN 66 Ca -0.18 -0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.55 1jm7 n ASN 66 Cb 0.58 0.00 -0.17 0.00 -0.53 0.00 0.00 39.78 39.66 1jm7 n ASN 66 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1jm7 s ASP 67 N -2.00 2.18 -0.08 1.20 1.01 -1.26 -3.17 116.67 114.55 1jm7 s ASP 67 Ca 0.00 -0.53 -0.05 0.00 0.71 0.00 0.00 52.55 52.68 1jm7 s ASP 67 Cb 0.00 -0.18 -0.04 0.00 1.01 0.00 0.00 42.92 43.72 1jm7 s ASP 67 CO 0.00 -0.34 0.11 -0.63 0.21 0.00 0.00 175.17 174.52 1jm7 s ILE 68 N 2.16 5.17 -0.34 0.77 1.01 0.24 -4.94 121.20 125.27 1jm7 s ILE 68 Ca 0.03 -0.01 0.15 0.00 0.00 0.00 0.00 60.65 60.82 1jm7 s ILE 68 Cb -0.16 -3.28 0.45 0.00 0.01 0.00 0.00 42.46 39.49 1jm7 s ILE 68 CO -0.09 0.54 0.99 0.35 0.00 0.00 0.00 174.94 176.73 1jm7 n THR 69 N 1.75 1.31 -2.97 2.92 -2.24 -1.26 0.30 114.28 114.09 1jm7 n THR 69 Ca -0.17 -3.46 0.06 0.00 -2.27 0.00 0.00 64.05 58.20 1jm7 n THR 69 Cb 0.54 0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 69.01 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 -0.17 -0.84 0.00 -0.78 4.81 -1.26 -4.72 118.16 115.19 1jm7 n LYS 70 Ca 0.16 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 1jm7 n LYS 70 Cb 0.79 -1.02 0.00 0.00 0.02 0.00 0.00 35.03 34.81 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 -2.27 0.00 0.31 1.64 0.00 -1.26 -4.27 116.66 110.80 1jm7 n ARG 71 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 57.85 58.04 1jm7 n ARG 71 Cb 0.19 0.00 1.01 0.00 0.00 0.00 0.00 32.46 33.66 1jm7 n ARG 71 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 1jm7 h SER 72 N 0.00 0.00 -2.62 6.15 0.02 -1.94 -3.39 113.55 111.76 1jm7 h SER 72 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 1jm7 h SER 72 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 1jm7 h SER 72 CO 0.00 0.00 1.24 -0.76 -1.14 0.00 0.00 176.83 176.17 1jm7 s LEU 73 N -6.41 3.45 -0.09 5.07 2.01 -1.26 -4.24 118.68 117.21 1jm7 s LEU 73 Ca -0.04 0.84 0.00 0.00 0.01 0.00 0.00 54.13 54.94 1jm7 s LEU 73 Cb 0.12 -3.21 0.02 0.00 0.01 0.00 0.00 46.19 43.14 1jm7 s LEU 73 CO 0.40 -1.83 -0.08 0.00 1.01 0.00 0.00 176.35 175.85 1jm7 s GLN 74 N 5.86 1.46 -0.03 1.70 -2.07 -1.22 -5.00 119.66 120.36 1jm7 s GLN 74 Ca 0.70 -0.26 -0.30 0.00 -1.82 0.00 0.00 55.36 53.68 1jm7 s GLN 74 Cb -0.17 -1.45 -0.09 0.00 -1.09 0.00 0.00 33.01 30.21 1jm7 s GLN 74 CO 0.29 -0.19 2.02 0.39 -1.32 0.00 0.00 175.29 176.48 1jm7 n GLU 75 N 4.62 2.61 -3.19 9.60 1.02 -1.26 -1.78 120.64 132.27 1jm7 n GLU 75 Ca -0.15 0.92 -0.27 0.00 -0.02 0.00 0.00 57.16 57.64 1jm7 n GLU 75 Cb 0.50 -3.01 -0.02 0.00 -0.02 0.00 0.00 31.44 28.90 1jm7 n GLU 75 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1jm7 s SER 76 N 5.17 6.36 -0.02 1.62 0.01 0.29 -4.89 113.70 122.24 1jm7 s SER 76 Ca 0.92 0.68 0.08 0.00 1.31 0.00 0.00 55.95 58.93 1jm7 s SER 76 Cb -0.45 -2.13 -0.12 0.00 0.21 0.00 0.00 66.02 63.53 1jm7 s SER 76 CO 0.42 -0.32 0.15 0.41 0.41 0.00 0.00 173.24 174.31 1jm7 n THR 77 N -1.53 0.07 -0.14 1.44 -1.04 -1.26 -4.11 114.28 107.71 1jm7 n THR 77 Ca -0.02 -0.19 0.08 0.00 -2.04 0.00 0.00 64.05 61.87 1jm7 n THR 77 Cb 0.55 0.17 0.40 0.00 -1.82 0.00 0.00 70.33 69.63 1jm7 n THR 77 CO 0.00 0.00 0.00 0.08 -0.64 0.00 0.00 175.07 174.51 1jm7 h ARG 78 N 0.00 0.62 -0.57 -2.82 0.11 -1.97 -0.50 114.38 109.25 1jm7 h ARG 78 Ca -0.03 -0.04 -0.09 0.00 0.10 0.00 0.00 59.98 59.92 1jm7 h ARG 78 Cb 0.50 -0.14 -0.06 0.00 1.11 0.00 0.00 29.97 31.39 1jm7 h ARG 78 CO 0.00 0.41 0.10 1.19 0.10 0.00 0.00 179.97 181.78 1jm7 n PHE 79 N -4.48 1.99 -0.08 4.08 3.01 -1.26 -4.35 117.46 116.37 1jm7 n PHE 79 Ca 0.10 -0.98 -0.08 0.00 1.01 0.00 0.00 57.45 57.50 1jm7 n PHE 79 Cb 0.26 -0.55 -0.03 0.00 -0.01 0.00 0.00 39.48 39.15 1jm7 n PHE 79 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1jm7 n SER 80 N 0.04 1.83 0.22 4.37 2.88 -0.20 -4.12 113.62 118.64 1jm7 n SER 80 Ca 0.32 0.57 0.07 0.00 -1.33 0.00 0.00 58.87 58.49 1jm7 n SER 80 Cb 1.22 -0.87 0.50 0.00 -0.75 0.00 0.00 64.21 64.31 1jm7 n SER 80 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1jm7 h GLN 81 N -1.00 0.00 -0.26 -1.46 4.20 -1.79 -2.45 115.11 112.34 1jm7 h GLN 81 Ca -0.07 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.67 1jm7 h GLN 81 Cb 0.71 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 1jm7 h GLN 81 CO -0.04 0.26 0.18 -0.07 -0.67 0.00 0.00 178.83 178.48 1jm7 h LEU 82 N 0.00 0.22 0.14 1.46 3.38 -1.76 0.26 115.31 119.02 1jm7 h LEU 82 Ca -0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1jm7 h LEU 82 Cb 0.53 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1jm7 h LEU 82 CO 0.03 0.16 -0.07 0.58 0.09 0.00 0.00 178.44 179.23 1jm7 h VAL 83 N 0.26 0.64 -0.94 1.22 2.07 -1.59 -2.87 116.25 115.04 1jm7 h VAL 83 Ca 0.11 -1.18 0.02 0.00 0.82 0.00 0.00 66.70 66.47 1jm7 h VAL 83 Cb 0.11 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1jm7 h VAL 83 CO -0.02 0.19 0.62 -0.33 0.02 0.00 0.00 177.57 178.05 1jm7 h GLU 84 N -0.96 1.21 -0.76 1.57 5.08 -1.49 -2.25 114.58 116.98 1jm7 h GLU 84 Ca -0.02 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1jm7 h GLU 84 Cb 0.45 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1jm7 h GLU 84 CO 0.03 0.80 0.49 0.93 -1.00 0.00 0.00 179.01 180.26 1jm7 h GLU 85 N 1.25 1.02 -0.83 2.33 5.08 -0.60 -2.23 114.58 120.60 1jm7 h GLU 85 Ca 0.36 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.67 1jm7 h GLU 85 Cb -0.10 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 28.89 1jm7 h GLU 85 CO -0.09 0.69 0.54 1.25 -1.00 0.00 0.00 179.01 180.41 1jm7 h LEU 86 N 1.04 0.90 -0.73 1.33 7.12 -1.17 -2.02 115.31 121.77 1jm7 h LEU 86 Ca 0.28 -0.01 0.02 0.00 0.13 0.00 0.00 57.88 58.29 1jm7 h LEU 86 Cb -0.08 -0.21 -0.04 0.00 -0.53 0.00 0.00 40.66 39.80 1jm7 h LEU 86 CO -0.06 0.62 0.47 -0.07 -0.13 0.00 0.00 178.44 179.28 1jm7 h LEU 87 N 1.04 0.80 -1.22 2.25 -0.00 -1.18 -0.22 115.31 116.79 1jm7 h LEU 87 Ca 0.32 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.88 58.12 1jm7 h LEU 87 Cb -0.00 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.45 1jm7 h LEU 87 CO -0.09 0.57 -0.26 0.11 -0.00 0.00 0.00 178.44 178.78 1jm7 h LYS 88 N 0.95 0.22 -0.01 1.13 1.79 -1.22 0.40 116.57 119.82 1jm7 h LYS 88 Ca 0.28 -0.07 -0.17 0.00 -2.18 0.00 0.00 60.65 58.50 1jm7 h LYS 88 Cb -0.06 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 1jm7 h LYS 88 CO -0.08 0.46 -0.78 0.82 -1.08 0.00 0.00 179.45 178.80 1jm7 h ILE 89 N 0.20 1.48 0.05 1.86 2.04 -0.81 -2.40 117.51 119.94 1jm7 h ILE 89 Ca 0.03 -2.46 -0.08 0.00 1.00 0.00 0.00 64.86 63.35 1jm7 h ILE 89 Cb 0.56 2.34 0.01 0.00 -0.74 0.00 0.00 36.82 38.99 1jm7 h ILE 89 CO 0.04 0.71 -0.35 0.40 0.00 0.00 0.00 178.15 178.96 1jm7 h ILE 90 N 0.09 1.65 -0.42 -0.67 2.04 -0.70 -2.99 117.51 116.52 1jm7 h ILE 90 Ca -0.03 -2.36 0.01 0.00 1.00 0.00 0.00 64.86 63.48 1jm7 h ILE 90 Cb 1.36 3.23 -0.02 0.00 -0.74 0.00 0.00 36.82 40.65 1jm7 h ILE 90 CO 0.11 0.64 0.26 0.00 0.00 0.00 0.00 178.15 179.17 1jm7 h ALA 92 N 1.17 0.81 -0.40 0.00 0.00 -1.56 -1.65 119.26 117.63 1jm7 h ALA 92 Ca 0.16 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1jm7 h ALA 92 Cb -0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1jm7 h ALA 92 CO -0.05 0.20 0.28 0.35 0.00 0.00 0.00 179.25 180.04 1jm7 h PHE 93 N 0.83 0.08 0.01 0.00 3.57 -1.31 0.16 116.94 120.27 1jm7 h PHE 93 Ca 0.24 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.55 1jm7 h PHE 93 Cb -0.06 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1jm7 h PHE 93 CO -0.04 0.04 -0.89 1.96 -2.23 0.00 0.00 178.31 177.15 1jm7 h GLN 94 N 0.08 0.06 -0.27 1.11 7.50 -1.03 -1.16 115.11 121.40 1jm7 h GLN 94 Ca 0.19 -0.08 -0.03 0.00 0.50 0.00 0.00 58.65 59.23 1jm7 h GLN 94 Cb 0.65 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 28.19 1jm7 h GLN 94 CO -0.02 0.91 0.04 1.25 -1.50 0.00 0.00 178.83 179.52 1jm7 h LEU 95 N 0.03 0.36 0.00 1.46 5.85 -0.50 -1.63 115.31 120.88 1jm7 h LEU 95 Ca -0.02 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1jm7 h LEU 95 Cb 1.56 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.50 1jm7 h LEU 95 CO 0.12 0.39 0.00 0.47 -0.34 0.00 0.00 178.44 179.09 1jm7 n ASP 96 N -4.36 0.00 0.39 1.25 9.92 -1.10 -4.75 116.55 117.90 1jm7 n ASP 96 Ca 0.01 0.06 -0.18 0.00 -0.53 0.00 0.00 54.79 54.15 1jm7 n ASP 96 Cb 0.18 -0.42 -0.09 0.00 -0.64 0.00 0.00 41.12 40.16 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 0.26 0.00 -3.53 1.35 -1.37 -3.38 112.91 106.24 1jm7 h THR 97 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1jm7 h THR 97 Cb 0.00 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 66.68 1jm7 h THR 97 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1jm7 n GLY 98 N -1.52 0.98 3.95 5.82 0.00 -0.61 -4.51 105.19 109.29 1jm7 n GLY 98 Ca -0.14 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 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 3.57 0.49 0.99 1.02 -1.26 -5.02 118.68 118.48 1jm7 s LEU 99 Ca 0.00 0.35 -0.18 0.00 0.02 0.00 0.00 54.13 54.32 1jm7 s LEU 99 Cb 0.00 -3.22 -0.08 0.00 0.02 0.00 0.00 46.19 42.90 1jm7 s LEU 99 CO 0.00 -0.77 0.99 -1.61 0.02 0.00 0.00 176.35 174.98 1jm7 s GLU 100 N -4.63 3.93 0.13 1.70 0.41 -1.26 -4.76 118.70 114.22 1jm7 s GLU 100 Ca 0.49 1.10 0.06 0.00 -0.41 0.00 0.00 54.97 56.21 1jm7 s GLU 100 Cb -0.10 -2.13 -0.04 0.00 -1.78 0.00 0.00 34.13 30.08 1jm7 s GLU 100 CO 0.39 -0.29 -0.03 -0.47 -0.49 0.00 0.00 175.26 174.38 1jm7 s TYR 101 N -2.38 2.86 -0.04 1.61 5.04 -1.26 -4.93 117.35 118.25 1jm7 s TYR 101 Ca 0.62 -0.11 -0.04 0.00 -2.44 0.00 0.00 57.07 55.10 1jm7 s TYR 101 Cb -0.11 -1.44 0.02 0.00 0.35 0.00 0.00 41.96 40.77 1jm7 s TYR 101 CO 0.25 0.48 0.08 0.00 -1.34 0.00 0.00 175.55 175.02 1jm7 n ALA 102 N 0.31 -2.56 -0.51 3.97 0.00 -1.26 -5.20 120.51 115.26 1jm7 n ALA 102 Ca -0.11 1.10 0.00 0.00 0.00 0.00 0.00 53.44 54.43 1jm7 n ALA 102 Cb 0.53 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.49 1jm7 n ALA 102 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79