#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 4.04 -0.92 6.12 9.92 -1.26 -4.62 116.55 129.82 1jm7 n ASP 2 Ca 0.00 -3.72 0.00 0.00 -0.53 0.00 0.00 54.79 50.54 1jm7 n ASP 2 Cb 0.00 -0.75 0.00 0.00 -0.64 0.00 0.00 41.12 39.73 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 -1.07 0.00 0.28 0.64 7.94 -1.26 -3.44 117.00 120.10 1jm7 n LEU 3 Ca 0.50 0.00 0.16 0.00 -1.11 0.00 0.00 56.01 55.55 1jm7 n LEU 3 Cb 1.22 0.00 0.84 0.00 0.53 0.00 0.00 43.42 46.00 1jm7 n LEU 3 CO 0.47 -1.41 1.04 0.28 -1.11 0.00 0.00 177.39 176.66 1jm7 h SER 4 N 0.00 0.00 -0.81 1.96 0.02 -1.98 -3.46 113.55 109.28 1jm7 h SER 4 Ca 0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 1jm7 h SER 4 Cb 0.00 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.40 1jm7 h SER 4 CO 0.00 0.07 -0.32 0.00 -1.14 0.00 0.00 176.83 175.44 1jm7 n ALA 5 N -2.22 -0.26 0.04 3.77 0.00 -1.22 -4.86 120.51 115.75 1jm7 n ALA 5 Ca -0.02 0.28 -0.08 0.00 0.00 0.00 0.00 53.44 53.62 1jm7 n ALA 5 Cb 0.20 -1.78 0.08 0.00 0.00 0.00 0.00 19.45 17.94 1jm7 n ALA 5 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1jm7 h LEU 6 N 0.00 0.49 -4.92 0.00 8.10 -1.91 -3.40 115.31 113.67 1jm7 h LEU 6 Ca -0.35 -0.27 -0.17 0.00 0.11 0.00 0.00 57.88 57.19 1jm7 h LEU 6 Cb 1.12 -0.14 -0.13 0.00 -0.44 0.00 0.00 40.66 41.07 1jm7 h LEU 6 CO 0.51 0.97 -0.20 0.54 -4.11 0.00 0.00 178.44 176.15 1jm7 n ARG 7 N -3.92 0.93 0.10 0.17 1.74 -1.26 -4.98 116.66 109.44 1jm7 n ARG 7 Ca -0.03 -1.41 -0.06 0.00 -0.77 0.00 0.00 57.85 55.59 1jm7 n ARG 7 Cb 0.62 0.03 0.03 0.00 -1.02 0.00 0.00 32.46 32.12 1jm7 n ARG 7 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1jm7 h VAL 8 N 1.77 1.53 -0.06 1.55 2.07 -1.95 -2.85 116.25 118.30 1jm7 h VAL 8 Ca -0.36 -2.62 -0.20 0.00 0.82 0.00 0.00 66.70 64.33 1jm7 h VAL 8 Cb 1.27 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 33.47 1jm7 h VAL 8 CO -0.12 0.75 -0.81 1.05 0.02 0.00 0.00 177.57 178.47 1jm7 h GLU 9 N 0.05 0.47 -0.37 1.57 4.11 -1.93 -2.74 114.58 115.74 1jm7 h GLU 9 Ca -0.02 -0.42 -0.09 0.00 0.07 0.00 0.00 59.36 58.90 1jm7 h GLU 9 Cb 1.41 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 1jm7 h GLU 9 CO 0.11 1.06 -0.12 0.93 0.07 0.00 0.00 179.01 181.07 1jm7 h GLU 10 N 0.31 0.73 -0.71 1.06 3.07 -1.95 -2.82 114.58 114.26 1jm7 h GLU 10 Ca -0.05 -0.29 -0.05 0.00 -0.50 0.00 0.00 59.36 58.47 1jm7 h GLU 10 Cb 1.41 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.26 1jm7 h GLU 10 CO 0.14 0.89 0.25 0.28 -1.40 0.00 0.00 179.01 179.18 1jm7 h VAL 11 N 0.52 1.25 -0.14 3.13 2.07 -1.54 -2.39 116.25 119.15 1jm7 h VAL 11 Ca 0.09 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1jm7 h VAL 11 Cb 0.64 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1jm7 h VAL 11 CO 0.04 0.33 0.03 1.56 0.02 0.00 0.00 177.57 179.55 1jm7 h GLN 12 N 1.04 0.20 -0.51 1.57 4.20 -1.41 -1.60 115.11 118.59 1jm7 h GLN 12 Ca 0.23 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.82 1jm7 h GLN 12 Cb 0.26 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1jm7 h GLN 12 CO -0.01 0.19 -0.08 -0.97 -0.67 0.00 0.00 178.83 177.29 1jm7 h ASN 13 N 0.20 0.95 -0.31 1.46 -0.73 -1.17 0.15 115.58 116.12 1jm7 h ASN 13 Ca 0.05 -0.34 -0.14 0.00 1.87 0.00 0.00 56.30 57.74 1jm7 h ASN 13 Cb 0.09 -0.26 -0.00 0.00 0.27 0.00 0.00 38.32 38.42 1jm7 h ASN 13 CO -0.00 1.07 -0.34 0.58 -0.37 0.00 0.00 177.43 178.37 1jm7 h VAL 14 N 0.81 1.29 -0.10 2.57 2.07 -1.24 -1.11 116.25 120.54 1jm7 h VAL 14 Ca 0.13 -1.51 -0.12 0.00 0.82 0.00 0.00 66.70 66.02 1jm7 h VAL 14 Cb 0.63 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1jm7 h VAL 14 CO 0.04 0.49 -0.45 0.40 0.02 0.00 0.00 177.57 178.07 1jm7 h ILE 15 N 0.55 1.33 -0.00 4.57 2.04 -1.26 -2.41 117.51 122.33 1jm7 h ILE 15 Ca 0.05 -1.62 -0.20 0.00 1.00 0.00 0.00 64.86 64.09 1jm7 h ILE 15 Cb 0.92 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 1jm7 h ILE 15 CO 0.08 0.48 -0.88 -1.13 0.00 0.00 0.00 178.15 176.71 1jm7 h ASN 16 N 0.20 0.30 0.20 1.72 -1.24 -0.89 -2.96 115.58 112.91 1jm7 h ASN 16 Ca 0.01 -0.24 -0.01 0.00 0.71 0.00 0.00 56.30 56.77 1jm7 h ASN 16 Cb 0.88 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.84 1jm7 h ASN 16 CO 0.07 1.04 -0.10 0.00 -1.29 0.00 0.00 177.43 177.15 1jm7 h ALA 17 N 0.94 -0.27 -0.77 1.57 0.00 -1.05 -2.88 119.26 116.80 1jm7 h ALA 17 Ca -0.05 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.76 1jm7 h ALA 17 Cb 1.50 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.35 1jm7 h ALA 17 CO 0.14 -0.46 0.51 0.00 0.00 0.00 0.00 179.25 179.44 1jm7 h MET 18 N -0.66 0.72 -0.80 0.00 -0.00 -1.53 -0.91 114.93 111.74 1jm7 h MET 18 Ca -0.03 -0.04 -0.01 0.00 -0.00 0.00 0.00 59.70 59.62 1jm7 h MET 18 Cb 0.47 -0.16 -0.04 0.00 -0.00 0.00 0.00 31.60 31.87 1jm7 h MET 18 CO 0.05 0.47 0.45 0.37 -0.00 0.00 0.00 176.91 178.25 1jm7 h GLN 19 N 0.74 1.10 -0.17 -0.10 4.15 -1.47 -1.71 115.11 117.65 1jm7 h GLN 19 Ca 0.35 -0.11 -0.00 0.00 0.77 0.00 0.00 58.65 59.65 1jm7 h GLN 19 Cb 0.39 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 1jm7 h GLN 19 CO -0.13 0.79 0.08 0.87 -1.93 0.00 0.00 178.83 178.52 1jm7 h LYS 20 N 1.11 0.23 0.00 1.69 1.79 -0.94 -0.80 116.57 119.64 1jm7 h LYS 20 Ca 0.28 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.69 1jm7 h LYS 20 Cb 0.00 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 1jm7 h LYS 20 CO -0.05 0.18 -0.19 0.82 -1.08 0.00 0.00 179.45 179.13 1jm7 h ILE 21 N 0.23 0.88 -0.78 1.86 2.04 -1.20 -2.29 117.51 118.25 1jm7 h ILE 21 Ca 0.06 -0.74 -0.45 0.00 1.00 0.00 0.00 64.86 64.74 1jm7 h ILE 21 Cb 0.03 1.43 -0.25 0.00 -0.74 0.00 0.00 36.82 37.28 1jm7 h ILE 21 CO -0.01 0.19 0.36 0.18 0.00 0.00 0.00 178.15 178.88 1jm7 n LEU 22 N -3.93 5.98 0.00 1.44 7.99 -0.32 -4.99 117.00 123.18 1jm7 n LEU 22 Ca -0.02 -3.87 0.00 0.00 -0.01 0.00 0.00 56.01 52.11 1jm7 n LEU 22 Cb 0.28 -0.77 0.00 0.00 -0.11 0.00 0.00 43.42 42.82 1jm7 n LEU 22 CO 0.34 1.27 0.00 1.21 -1.51 0.00 0.00 177.39 178.70 1jm7 n GLU 23 N -1.07 0.53 -4.79 3.23 2.13 -0.87 -3.94 120.64 115.86 1jm7 n GLU 23 Ca 0.51 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 58.00 1jm7 n GLU 23 Cb 1.25 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.83 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 2.47 2.93 0.00 0.00 -0.04 -1.26 -3.30 135.00 135.80 1jm7 n PRO 25 Ca -0.17 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.31 1jm7 n PRO 25 Cb 0.52 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 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 0.69 0.00 -0.42 0.52 -6.64 -1.26 -4.89 119.36 107.37 1jm7 n ILE 26 Ca 0.18 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.16 1jm7 n ILE 26 Cb 0.67 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.87 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 -0.23 -1.18 -4.54 0.00 7.99 -1.21 -4.92 117.00 112.90 1jm7 n LEU 28 Ca 0.00 0.20 -0.41 0.00 -0.01 0.00 0.00 56.01 55.79 1jm7 n LEU 28 Cb 0.30 -2.19 -0.09 0.00 -0.11 0.00 0.00 43.42 41.33 1jm7 n LEU 28 CO 0.00 -0.23 0.03 -1.61 -1.51 0.00 0.00 177.39 174.06 1jm7 s GLU 29 N -4.70 3.56 -0.93 3.23 2.02 -1.26 -4.60 118.70 116.03 1jm7 s GLU 29 Ca 0.00 -0.42 -0.25 0.00 0.02 0.00 0.00 54.97 54.32 1jm7 s GLU 29 Cb 0.00 -3.80 -0.22 0.00 0.10 0.00 0.00 34.13 30.20 1jm7 s GLU 29 CO 0.00 -0.52 2.41 -0.11 0.02 0.00 0.00 175.26 177.06 1jm7 n LEU 30 N 5.37 -0.03 -4.61 1.80 7.94 -1.26 -4.20 117.00 122.01 1jm7 n LEU 30 Ca -0.09 0.04 -0.46 0.00 -1.11 0.00 0.00 56.01 54.39 1jm7 n LEU 30 Cb 0.49 -0.79 -0.03 0.00 0.53 0.00 0.00 43.42 43.63 1jm7 n LEU 30 CO 0.40 -0.79 0.75 2.30 -1.11 0.00 0.00 177.39 178.94 1jm7 n ILE 31 N 6.60 1.33 -0.04 1.96 -5.35 -1.25 -4.91 119.36 117.70 1jm7 n ILE 31 Ca 0.61 -0.33 -0.04 0.00 -0.27 0.00 0.00 62.75 62.72 1jm7 n ILE 31 Cb 0.05 -1.08 -0.05 0.00 -1.74 0.00 0.00 39.64 36.82 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 1.41 2.37 -3.77 6.28 3.00 -1.26 -4.86 118.16 121.34 1jm7 n LYS 32 Ca 0.12 0.01 -0.34 0.00 -0.00 0.00 0.00 58.31 58.09 1jm7 n LYS 32 Cb 0.29 -1.18 -0.10 0.00 0.00 0.00 0.00 35.03 34.04 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 -2.17 2.60 -0.23 1.64 2.02 -1.26 -4.89 118.70 116.41 1jm7 s GLU 33 Ca -0.05 -2.83 -0.36 0.00 0.02 0.00 0.00 54.97 51.76 1jm7 s GLU 33 Cb 0.02 -3.66 -0.12 0.00 0.10 0.00 0.00 34.13 30.47 1jm7 s GLU 33 CO 0.27 -1.20 1.98 -2.30 0.02 0.00 0.00 175.26 174.04 1jm7 n PRO 34 N 2.95 1.54 -3.90 0.39 -0.02 -1.26 -3.90 135.00 130.80 1jm7 n PRO 34 Ca 0.12 0.52 -0.27 0.00 -2.02 0.00 0.00 63.50 61.85 1jm7 n PRO 34 Cb 0.36 -2.49 -0.17 0.00 -0.02 0.00 0.00 33.50 31.18 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 5.37 1.03 -0.07 -1.45 0.11 -1.18 -2.41 120.40 121.81 1jm7 s VAL 35 Ca 1.01 -0.34 -0.30 0.00 -2.93 0.00 0.00 61.98 59.42 1jm7 s VAL 35 Cb -0.82 -1.08 -0.02 0.00 -1.53 0.00 0.00 36.38 32.93 1jm7 s VAL 35 CO 0.53 0.33 1.08 -0.94 -3.33 0.00 0.00 175.10 172.77 1jm7 s SER 36 N 1.70 7.18 0.44 3.54 1.04 -1.14 -1.90 113.70 124.56 1jm7 s SER 36 Ca 0.04 1.68 -0.01 0.00 0.48 0.00 0.00 55.95 58.14 1jm7 s SER 36 Cb -0.13 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.42 1jm7 s SER 36 CO -0.08 -0.48 0.67 0.42 0.98 0.00 0.00 173.24 174.75 1jm7 s THR 37 N 1.91 4.39 0.58 2.02 -4.23 0.36 0.10 115.64 120.77 1jm7 s THR 37 Ca 0.52 -0.36 0.31 0.00 -1.18 0.00 0.00 61.69 60.98 1jm7 s THR 37 Cb -0.22 -3.63 0.44 0.00 1.34 0.00 0.00 72.50 70.44 1jm7 s THR 37 CO 0.21 -0.47 1.75 0.50 -0.54 0.00 0.00 174.62 176.07 1jm7 h LYS 38 N 0.43 0.00 -0.83 3.99 3.64 -1.88 0.96 116.57 122.88 1jm7 h LYS 38 Ca -0.47 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 58.74 1jm7 h LYS 38 Cb 1.24 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.96 1jm7 h LYS 38 CO 0.59 0.00 0.21 0.00 -2.27 0.00 0.00 179.45 177.98 1jm7 n ASP 40 N -0.06 -2.40 -4.32 0.00 8.00 0.33 -5.00 116.55 113.11 1jm7 n ASP 40 Ca 0.31 -0.76 -0.22 0.00 0.71 0.00 0.00 54.79 54.82 1jm7 n ASP 40 Cb 1.13 -4.23 -0.12 0.00 -0.02 0.00 0.00 41.12 37.88 1jm7 n ASP 40 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1jm7 s HIS 41 N -3.53 1.82 0.12 1.24 3.76 -1.21 -4.83 115.29 112.65 1jm7 s HIS 41 Ca 0.18 -0.45 -0.04 0.00 -0.15 0.00 0.00 55.06 54.60 1jm7 s HIS 41 Cb -0.09 -0.93 -0.05 0.00 1.11 0.00 0.00 32.58 32.62 1jm7 s HIS 41 CO 0.80 0.30 0.34 0.42 -0.85 0.00 0.00 174.74 175.74 1jm7 s ILE 42 N -1.79 5.22 0.26 0.60 -1.09 -1.25 0.13 121.20 123.28 1jm7 s ILE 42 Ca 0.13 -0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.53 1jm7 s ILE 42 Cb -0.07 -3.62 -0.00 0.00 -1.58 0.00 0.00 42.46 37.19 1jm7 s ILE 42 CO 0.06 0.09 0.33 0.49 -1.23 0.00 0.00 174.94 174.68 1jm7 n PHE 43 N 0.22 -1.06 -0.91 3.97 3.01 -0.80 -4.75 117.46 117.14 1jm7 n PHE 43 Ca -0.04 -1.85 0.06 0.00 1.01 0.00 0.00 57.45 56.63 1jm7 n PHE 43 Cb 0.52 0.37 0.40 0.00 -0.01 0.00 0.00 39.48 40.75 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 0.55 0.00 0.21 0.00 3.00 -1.25 -4.08 118.16 116.58 1jm7 n LYS 45 Ca 0.29 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.74 1jm7 n LYS 45 Cb 1.22 0.00 0.76 0.00 0.00 0.00 0.00 35.03 37.02 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 -1.00 5.64 3.04 -1.93 -1.73 116.94 120.96 1jm7 h PHE 46 Ca 0.00 0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.05 1jm7 h PHE 46 Cb 0.00 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 38.43 1jm7 h PHE 46 CO 0.00 0.00 0.63 0.00 -2.02 0.00 0.00 178.31 176.92 1jm7 h MET 48 N 1.04 1.09 -0.66 0.00 2.86 -1.67 0.81 114.93 118.40 1jm7 h MET 48 Ca 0.48 -0.34 0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1jm7 h MET 48 Cb 0.40 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 1jm7 h MET 48 CO -0.24 1.05 0.42 -0.07 1.06 0.00 0.00 176.91 179.13 1jm7 h LEU 49 N 0.99 0.70 0.01 1.22 4.07 -1.29 0.79 115.31 121.80 1jm7 h LEU 49 Ca 0.18 -0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.87 1jm7 h LEU 49 Cb 0.56 -0.16 -0.04 0.00 1.08 0.00 0.00 40.66 42.11 1jm7 h LEU 49 CO 0.03 0.49 -1.38 0.11 -1.08 0.00 0.00 178.44 176.61 1jm7 h LYS 50 N 0.83 0.03 -0.15 1.13 1.57 -1.28 -3.34 116.57 115.36 1jm7 h LYS 50 Ca 0.26 -0.05 -0.21 0.00 -1.87 0.00 0.00 60.65 58.78 1jm7 h LYS 50 Cb -0.01 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1jm7 h LYS 50 CO -0.09 0.79 -0.74 1.25 -0.57 0.00 0.00 179.45 180.09 1jm7 h LEU 51 N 0.01 0.82 -1.95 2.94 6.46 0.94 -1.84 115.31 122.67 1jm7 h LEU 51 Ca -0.16 -0.52 0.08 0.00 -0.12 0.00 0.00 57.88 57.16 1jm7 h LEU 51 Cb 1.91 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 41.58 1jm7 h LEU 51 CO 0.11 1.30 0.22 -0.07 -0.62 0.00 0.00 178.44 179.38 1jm7 h LEU 52 N 0.48 0.05 0.00 2.25 3.38 0.48 -3.30 115.31 118.65 1jm7 h LEU 52 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1jm7 h LEU 52 Cb 1.35 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1jm7 h LEU 52 CO 0.15 0.03 0.00 0.59 0.09 0.00 0.00 178.44 179.30 1jm7 n ASN 53 N -4.46 0.00 0.00 -0.43 3.02 -1.17 -4.24 115.26 107.99 1jm7 n ASN 53 Ca 0.04 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 1jm7 n ASN 53 Cb 0.35 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 1jm7 n ASN 53 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1jm7 n GLN 54 N -1.49 0.00 0.00 3.52 -0.06 -0.70 -3.81 117.38 114.85 1jm7 n GLN 54 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1jm7 n GLN 54 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1jm7 n GLN 54 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1jm7 n LYS 55 N 0.00 0.00 0.00 3.69 5.02 -1.26 -5.12 118.16 120.49 1jm7 n LYS 55 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1jm7 n LYS 55 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 -0.60 0.43 0.00 1.97 3.00 -1.25 -5.09 118.16 116.61 1jm7 n LYS 56 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1jm7 n LYS 56 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 4.93 -1.01 3.30 3.14 0.00 -1.26 -4.93 105.19 109.37 1jm7 n GLY 57 Ca 0.00 -1.33 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 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 0.16 -1.82 1.61 -0.02 -1.26 -4.89 135.00 128.78 1jm7 n PRO 58 Ca 0.00 0.06 -0.32 0.00 -2.02 0.00 0.00 63.50 61.23 1jm7 n PRO 58 Cb 0.00 -1.26 0.03 0.00 -0.02 0.00 0.00 33.50 32.25 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 -1.09 5.70 -0.06 2.55 1.04 -0.90 -4.93 113.70 116.01 1jm7 s SER 59 Ca 0.59 1.66 -0.05 0.00 0.48 0.00 0.00 55.95 58.63 1jm7 s SER 59 Cb -0.44 -2.51 0.02 0.00 0.10 0.00 0.00 66.02 63.19 1jm7 s SER 59 CO 0.64 -1.23 0.14 -1.10 0.98 0.00 0.00 173.24 172.68 1jm7 s GLN 60 N -4.67 0.16 -0.32 4.02 -0.21 -1.26 -0.18 119.66 117.20 1jm7 s GLN 60 Ca 0.60 0.22 -0.31 0.00 0.02 0.00 0.00 55.36 55.89 1jm7 s GLN 60 Cb -0.14 0.05 -0.08 0.00 1.00 0.00 0.00 33.01 33.83 1jm7 s GLN 60 CO 0.47 -0.04 2.24 0.00 -2.12 0.00 0.00 175.29 175.84 1jm7 n PRO 62 N 8.54 0.36 0.04 0.00 -0.04 -1.26 -2.66 135.00 139.97 1jm7 n PRO 62 Ca 0.37 0.07 -0.05 0.00 -0.04 0.00 0.00 63.50 63.85 1jm7 n PRO 62 Cb 0.35 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.00 0.00 1.53 4.07 -1.90 -3.46 115.31 115.55 1jm7 h LEU 63 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1jm7 h LEU 63 Cb 0.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.90 1jm7 h LEU 63 CO 0.00 0.88 0.00 0.00 -1.08 0.00 0.00 178.44 178.24 1jm7 n LYS 65 N -0.70 0.00 -1.82 0.00 2.85 -1.09 -5.04 118.16 112.37 1jm7 n LYS 65 Ca 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 1jm7 n LYS 65 Cb 0.00 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.43 1jm7 n LYS 65 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1jm7 n ASN 66 N 0.00 0.89 -3.79 -5.58 4.13 -1.24 -4.89 115.26 104.78 1jm7 n ASN 66 Ca 0.00 -1.69 -0.29 0.00 1.68 0.00 0.00 54.58 54.28 1jm7 n ASN 66 Cb 0.00 -0.27 -0.16 0.00 -1.54 0.00 0.00 39.78 37.81 1jm7 n ASN 66 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 1jm7 s ASP 67 N -2.96 3.70 -0.15 6.41 -4.77 -1.26 -2.01 116.67 115.63 1jm7 s ASP 67 Ca 0.33 -1.33 -0.08 0.00 -3.30 0.00 0.00 52.55 48.16 1jm7 s ASP 67 Cb -0.02 -0.88 -0.04 0.00 -1.09 0.00 0.00 42.92 40.88 1jm7 s ASP 67 CO 0.21 -0.35 0.14 -0.63 0.70 0.00 0.00 175.17 175.25 1jm7 s ILE 68 N 1.61 5.46 -0.43 2.11 1.01 0.75 -4.91 121.20 126.80 1jm7 s ILE 68 Ca 0.03 0.21 0.08 0.00 0.00 0.00 0.00 60.65 60.98 1jm7 s ILE 68 Cb -0.18 -3.44 0.31 0.00 0.01 0.00 0.00 42.46 39.17 1jm7 s ILE 68 CO -0.16 0.54 0.91 0.35 0.00 0.00 0.00 174.94 176.58 1jm7 n THR 69 N 2.64 -0.12 -1.51 2.92 -2.24 -1.26 -2.11 114.28 112.59 1jm7 n THR 69 Ca -0.18 -2.65 0.10 0.00 -2.27 0.00 0.00 64.05 59.05 1jm7 n THR 69 Cb 0.54 0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 69.34 1jm7 n THR 69 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1jm7 n LYS 70 N 0.67 -3.71 -1.95 -0.78 4.76 -1.26 -4.71 118.16 111.18 1jm7 n LYS 70 Ca 0.14 2.97 -0.14 0.00 -2.87 0.00 0.00 58.31 58.40 1jm7 n LYS 70 Cb 0.66 -3.98 -0.03 0.00 -1.84 0.00 0.00 35.03 29.83 1jm7 n LYS 70 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1jm7 n ARG 71 N -3.62 -1.73 -0.03 1.97 3.00 -1.26 -4.75 116.66 110.25 1jm7 n ARG 71 Ca -0.06 0.76 -0.03 0.00 -0.00 0.00 0.00 57.85 58.52 1jm7 n ARG 71 Cb 0.61 -5.21 -0.04 0.00 0.00 0.00 0.00 32.46 27.82 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 -1.26 3.71 -4.84 6.15 7.64 -1.26 -5.05 113.62 118.70 1jm7 n SER 72 Ca -0.16 -0.01 -0.27 0.00 1.01 0.00 0.00 58.87 59.45 1jm7 n SER 72 Cb 0.55 0.44 0.08 0.00 -1.01 0.00 0.00 64.21 64.28 1jm7 n SER 72 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1jm7 s LEU 73 N -4.62 2.76 -0.37 -3.43 1.02 -1.26 -3.44 118.68 109.35 1jm7 s LEU 73 Ca -0.04 0.44 0.02 0.00 0.02 0.00 0.00 54.13 54.57 1jm7 s LEU 73 Cb 0.02 -3.00 0.15 0.00 0.02 0.00 0.00 46.19 43.38 1jm7 s LEU 73 CO 0.19 -1.77 0.30 -1.10 0.02 0.00 0.00 176.35 174.00 1jm7 s GLN 74 N -5.35 0.61 0.22 1.70 1.11 0.28 -4.96 119.66 113.27 1jm7 s GLN 74 Ca 0.62 -1.13 -0.32 0.00 0.01 0.00 0.00 55.36 54.54 1jm7 s GLN 74 Cb -0.10 -1.00 -0.13 0.00 -1.01 0.00 0.00 33.01 30.77 1jm7 s GLN 74 CO 0.46 -1.21 1.57 -1.91 0.01 0.00 0.00 175.29 174.21 1jm7 n GLU 75 N 4.08 2.37 -2.92 2.91 0.00 -1.26 -2.88 120.64 122.94 1jm7 n GLU 75 Ca 0.12 0.85 -0.08 0.00 0.00 0.00 0.00 57.16 58.06 1jm7 n GLU 75 Cb 0.41 -2.61 -0.01 0.00 0.00 0.00 0.00 31.44 29.23 1jm7 n GLU 75 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1jm7 n SER 76 N 3.00 -1.01 -3.86 4.31 3.41 -1.01 -4.93 113.62 113.53 1jm7 n SER 76 Ca 0.14 -2.10 -0.31 0.00 -0.26 0.00 0.00 58.87 56.34 1jm7 n SER 76 Cb 0.32 1.80 -0.09 0.00 -0.26 0.00 0.00 64.21 65.98 1jm7 n SER 76 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1jm7 n THR 77 N -0.34 2.46 0.02 6.66 -1.04 -1.26 -4.39 114.28 116.39 1jm7 n THR 77 Ca -0.01 -5.10 -0.01 0.00 -2.04 0.00 0.00 64.05 56.89 1jm7 n THR 77 Cb 0.36 -2.22 -0.00 0.00 -1.82 0.00 0.00 70.33 66.65 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 1.75 0.03 -1.20 -2.82 0.63 -1.26 -4.76 116.66 109.04 1jm7 n ARG 78 Ca 0.23 0.01 -0.25 0.00 -0.92 0.00 0.00 57.85 56.93 1jm7 n ARG 78 Cb 0.37 -0.56 0.15 0.00 0.45 0.00 0.00 32.46 32.87 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 -3.31 2.96 -0.06 -0.14 3.01 -1.26 -4.50 117.46 114.17 1jm7 n PHE 79 Ca -0.02 -2.03 -0.03 0.00 1.01 0.00 0.00 57.45 56.38 1jm7 n PHE 79 Cb 0.29 -1.02 -0.01 0.00 -0.01 0.00 0.00 39.48 38.72 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 1.16 0.00 -0.53 4.37 0.87 -1.89 -3.34 113.55 114.19 1jm7 h SER 80 Ca 0.60 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 61.18 1jm7 h SER 80 Cb 2.37 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 64.31 1jm7 h SER 80 CO 1.16 0.61 0.35 1.56 -0.53 0.00 0.00 176.83 179.98 1jm7 h GLN 81 N -0.85 0.66 -0.62 2.24 1.08 -1.93 -1.46 115.11 114.24 1jm7 h GLN 81 Ca 0.00 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.22 1jm7 h GLN 81 Cb 0.37 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.62 1jm7 h GLN 81 CO 0.00 0.44 0.41 -0.07 -0.95 0.00 0.00 178.83 178.66 1jm7 h LEU 82 N 0.68 0.54 0.04 1.46 3.38 -1.81 0.80 115.31 120.40 1jm7 h LEU 82 Ca 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1jm7 h LEU 82 Cb -0.02 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1jm7 h LEU 82 CO -0.05 0.35 -0.02 0.58 0.09 0.00 0.00 178.44 179.39 1jm7 h VAL 83 N 0.61 0.90 -0.68 1.22 2.07 -1.40 -2.98 116.25 115.99 1jm7 h VAL 83 Ca 0.27 -1.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 1jm7 h VAL 83 Cb 0.26 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1jm7 h VAL 83 CO -0.08 0.29 0.42 -0.33 0.02 0.00 0.00 177.57 177.89 1jm7 h GLU 84 N -0.97 0.91 -0.60 1.57 4.39 -1.24 -2.64 114.58 116.01 1jm7 h GLU 84 Ca -0.01 -0.08 0.04 0.00 0.34 0.00 0.00 59.36 59.66 1jm7 h GLU 84 Cb 0.52 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 1jm7 h GLU 84 CO 0.01 0.64 0.34 0.93 -1.16 0.00 0.00 179.01 179.77 1jm7 h GLU 85 N 0.92 0.64 -0.92 2.33 4.39 0.49 -2.03 114.58 120.41 1jm7 h GLU 85 Ca 0.24 -0.04 0.13 0.00 0.34 0.00 0.00 59.36 60.04 1jm7 h GLU 85 Cb -0.05 -0.15 -0.09 0.00 -0.10 0.00 0.00 28.75 28.37 1jm7 h GLU 85 CO -0.05 0.43 0.53 1.25 -1.16 0.00 0.00 179.01 180.01 1jm7 h LEU 86 N 0.66 0.73 -1.35 1.33 7.12 -1.31 0.64 115.31 123.13 1jm7 h LEU 86 Ca 0.25 0.07 -0.01 0.00 0.13 0.00 0.00 57.88 58.32 1jm7 h LEU 86 Cb 0.09 -0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 40.13 1jm7 h LEU 86 CO -0.13 0.35 0.29 -0.07 -0.13 0.00 0.00 178.44 178.75 1jm7 h LEU 87 N 0.80 0.65 -0.52 2.25 -0.00 -1.23 -0.53 115.31 116.73 1jm7 h LEU 87 Ca 0.48 -0.04 -0.15 0.00 -0.00 0.00 0.00 57.88 58.17 1jm7 h LEU 87 Cb 0.58 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.07 1jm7 h LEU 87 CO -0.31 0.53 -0.41 0.11 -0.00 0.00 0.00 178.44 178.36 1jm7 h LYS 88 N 0.74 0.74 -0.26 1.13 1.79 -0.71 -1.30 116.57 118.71 1jm7 h LYS 88 Ca 0.19 -0.39 -0.12 0.00 -2.18 0.00 0.00 60.65 58.15 1jm7 h LYS 88 Cb 0.02 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1jm7 h LYS 88 CO -0.03 1.02 -0.30 0.82 -1.08 0.00 0.00 179.45 179.87 1jm7 h ILE 89 N 0.61 1.31 -0.03 1.86 2.04 -0.71 -2.62 117.51 119.97 1jm7 h ILE 89 Ca 0.05 -1.48 -0.10 0.00 1.00 0.00 0.00 64.86 64.33 1jm7 h ILE 89 Cb 0.96 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 1jm7 h ILE 89 CO 0.09 0.47 -0.43 0.40 0.00 0.00 0.00 178.15 178.68 1jm7 h ILE 90 N 0.37 1.31 -0.30 -0.67 2.04 -1.10 -2.88 117.51 116.28 1jm7 h ILE 90 Ca 0.03 -1.50 -0.13 0.00 1.00 0.00 0.00 64.86 64.26 1jm7 h ILE 90 Cb 0.87 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 1jm7 h ILE 90 CO 0.07 0.43 -0.35 0.00 0.00 0.00 0.00 178.15 178.31 1jm7 h ALA 92 N 1.05 0.97 0.58 0.00 0.00 -1.26 -2.28 119.26 118.32 1jm7 h ALA 92 Ca 0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1jm7 h ALA 92 Cb 0.86 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1jm7 h ALA 92 CO 0.07 0.61 -0.29 0.35 0.00 0.00 0.00 179.25 179.99 1jm7 h PHE 93 N 0.75 -0.76 -0.02 0.00 3.57 -1.40 -2.41 116.94 116.67 1jm7 h PHE 93 Ca 0.13 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.62 1jm7 h PHE 93 Cb 0.59 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.58 1jm7 h PHE 93 CO 0.03 -0.47 0.01 1.96 -2.23 0.00 0.00 178.31 177.62 1jm7 h GLN 94 N -0.80 0.00 -0.85 1.11 1.08 -1.52 0.20 115.11 114.32 1jm7 h GLN 94 Ca -0.08 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.15 1jm7 h GLN 94 Cb 0.62 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.00 1jm7 h GLN 94 CO 0.12 0.00 0.55 1.25 -0.95 0.00 0.00 178.83 179.80 1jm7 h LEU 95 N 0.00 0.91 0.00 1.46 5.85 -0.90 -1.46 115.31 121.18 1jm7 h LEU 95 Ca 0.01 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1jm7 h LEU 95 Cb 0.04 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1jm7 h LEU 95 CO -0.00 0.63 -0.10 -0.67 -0.34 0.00 0.00 178.44 177.96 1jm7 n ASP 96 N -4.55 0.20 -0.14 1.25 -0.08 -0.76 -4.70 116.55 107.78 1jm7 n ASP 96 Ca 0.10 0.03 -0.08 0.00 -1.51 0.00 0.00 54.79 53.34 1jm7 n ASP 96 Cb 0.08 -0.52 0.00 0.00 2.34 0.00 0.00 41.12 43.03 1jm7 n ASP 96 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1jm7 h THR 97 N -0.10 1.12 -2.08 5.18 1.35 -0.81 -3.41 112.91 114.16 1jm7 h THR 97 Ca 0.00 -0.24 -0.30 0.00 -0.55 0.00 0.00 66.41 65.32 1jm7 h THR 97 Cb 0.10 0.52 -0.02 0.00 -1.73 0.00 0.00 68.15 67.02 1jm7 h THR 97 CO 0.00 0.12 -0.38 0.61 -0.25 0.00 0.00 175.52 175.61 1jm7 n GLY 98 N -1.17 -0.18 3.40 5.82 0.00 -0.55 -4.35 105.19 108.17 1jm7 n GLY 98 Ca 0.01 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 1jm7 n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jm7 n LEU 99 N -2.14 0.00 -4.80 0.99 7.99 -1.26 -4.97 117.00 112.82 1jm7 n LEU 99 Ca -0.18 -1.48 -0.38 0.00 -0.01 0.00 0.00 56.01 53.96 1jm7 n LEU 99 Cb 0.63 -0.78 -0.06 0.00 -0.11 0.00 0.00 43.42 43.10 1jm7 n LEU 99 CO 0.21 -1.19 0.38 -1.61 -1.51 0.00 0.00 177.39 173.67 1jm7 s GLU 100 N -5.29 4.35 0.14 3.23 0.41 -1.26 -4.80 118.70 115.48 1jm7 s GLU 100 Ca 0.63 0.93 0.00 0.00 -0.41 0.00 0.00 54.97 56.12 1jm7 s GLU 100 Cb -0.02 -3.17 0.00 0.00 -1.78 0.00 0.00 34.13 29.15 1jm7 s GLU 100 CO 0.44 0.56 0.00 0.98 -0.49 0.00 0.00 175.26 176.75 1jm7 n TYR 101 N 1.46 -0.98 0.11 1.61 4.19 -1.26 -5.07 117.16 117.22 1jm7 n TYR 101 Ca -0.07 0.17 0.00 0.00 3.31 0.00 0.00 57.90 61.31 1jm7 n TYR 101 Cb 0.50 0.33 0.00 0.00 0.49 0.00 0.00 39.34 40.66 1jm7 n TYR 101 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1jm7 n ALA 102 N -3.13 3.00 0.89 2.98 0.00 -1.26 -5.09 120.51 117.90 1jm7 n ALA 102 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1jm7 n ALA 102 Cb 0.00 0.09 0.09 0.00 0.00 0.00 0.00 19.45 19.63 1jm7 n ALA 102 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77