#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jm7 s GLU 27 N 0.00 3.06 -0.41 0.03 0.41 -1.26 -5.05 118.70 115.48 1jm7 s GLU 27 Ca 0.00 -0.75 -0.28 0.00 -0.41 0.00 0.00 54.97 53.53 1jm7 s GLU 27 Cb 0.00 -2.76 -0.01 0.00 -1.78 0.00 0.00 34.13 29.58 1jm7 s GLU 27 CO 0.00 0.51 1.72 -1.25 -0.49 0.00 0.00 175.26 175.76 1jm7 s PRO 28 N -3.00 3.23 0.14 0.39 0.04 -1.26 -4.52 135.00 130.02 1jm7 s PRO 28 Ca 0.32 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1jm7 s PRO 28 Cb -0.11 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.23 1jm7 s PRO 28 CO 0.25 -1.98 0.00 -0.25 0.04 0.00 0.00 177.00 175.05 1jm7 n ASP 29 N 10.49 -1.01 0.00 6.66 8.00 -1.26 -5.05 116.55 134.38 1jm7 n ASP 29 Ca 0.21 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.96 1jm7 n ASP 29 Cb 0.48 1.20 0.00 0.00 -0.02 0.00 0.00 41.12 42.78 1jm7 n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jm7 n GLY 30 N -0.68 0.00 0.08 0.44 0.00 -1.26 -5.04 105.19 98.73 1jm7 n GLY 30 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1jm7 n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jm7 n ARG 31 N 0.00 1.45 -1.48 1.61 5.12 -1.26 -4.59 116.66 117.50 1jm7 n ARG 31 Ca 0.00 0.01 -0.27 0.00 -1.93 0.00 0.00 57.85 55.66 1jm7 n ARG 31 Cb 0.00 -1.38 -0.06 0.00 -1.16 0.00 0.00 32.46 29.86 1jm7 n ARG 31 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jm7 n GLY 32 N 2.15 4.28 3.39 -0.13 0.00 -1.26 -4.87 105.19 108.75 1jm7 n GLY 32 Ca -0.25 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 43.81 1jm7 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jm7 s ALA 33 N -1.34 -1.31 -1.72 4.61 0.00 -1.26 -4.92 121.76 115.81 1jm7 s ALA 33 Ca 0.59 0.50 -0.01 0.00 0.00 0.00 0.00 51.96 53.04 1jm7 s ALA 33 Cb 0.36 0.48 0.00 0.00 0.00 0.00 0.00 23.12 23.96 1jm7 s ALA 33 CO -0.19 -0.56 0.18 0.91 0.00 0.00 0.00 175.76 176.10 1jm7 n TRP 34 N 0.23 -1.28 -0.06 0.00 5.03 -1.26 -4.91 117.44 115.19 1jm7 n TRP 34 Ca -0.18 0.15 -0.02 0.00 3.03 0.00 0.00 57.50 60.48 1jm7 n TRP 34 Cb 0.61 -4.14 -0.01 0.00 -1.03 0.00 0.00 31.31 26.75 1jm7 n TRP 34 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1jm7 h ALA 35 N 1.00 0.00 -0.07 6.99 0.00 -1.91 -3.14 119.26 122.12 1jm7 h ALA 35 Ca -0.51 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1jm7 h ALA 35 Cb 1.37 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1jm7 h ALA 35 CO 0.58 0.23 0.05 1.12 0.00 0.00 0.00 179.25 181.23 1jm7 h HIS 36 N -0.93 0.09 -0.19 0.00 2.07 -2.00 -1.20 115.15 112.99 1jm7 h HIS 36 Ca 0.00 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.38 1jm7 h HIS 36 Cb 0.23 -0.03 -0.01 0.00 2.57 0.00 0.00 27.41 30.17 1jm7 h HIS 36 CO -0.10 0.06 -0.46 1.03 -3.07 0.00 0.00 177.93 175.39 1jm7 h SER 37 N 0.10 0.53 -0.06 3.10 0.87 -1.97 -2.08 113.55 114.03 1jm7 h SER 37 Ca 0.03 -0.25 -0.14 0.00 -1.23 0.00 0.00 61.79 60.20 1jm7 h SER 37 Cb -0.01 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1jm7 h SER 37 CO -0.01 0.92 -0.49 -0.09 -0.53 0.00 0.00 176.83 176.63 1jm7 h ARG 38 N 0.39 0.44 0.00 2.24 1.12 -1.22 -2.78 114.38 114.58 1jm7 h ARG 38 Ca 0.02 -0.39 -0.00 0.00 -1.11 0.00 0.00 59.98 58.50 1jm7 h ARG 38 Cb 0.96 0.09 0.00 0.00 -0.01 0.00 0.00 29.97 31.02 1jm7 h ARG 38 CO 0.09 1.04 -0.00 0.00 -3.11 0.00 0.00 179.97 177.98 1jm7 h ALA 39 N 0.42 -0.00 -0.16 2.80 0.00 -1.27 -2.36 119.26 118.69 1jm7 h ALA 39 Ca -0.04 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1jm7 h ALA 39 Cb 1.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1jm7 h ALA 39 CO 0.10 -0.49 0.11 0.00 0.00 0.00 0.00 179.25 178.97 1jm7 h ALA 40 N 0.97 1.91 -0.30 0.00 0.00 -1.47 -2.32 119.26 118.05 1jm7 h ALA 40 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jm7 h ALA 40 Cb 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1jm7 h ALA 40 CO 0.00 0.08 0.18 1.25 0.00 0.00 0.00 179.25 180.77 1jm7 h LEU 41 N 0.20 0.36 -1.40 0.00 5.85 -1.13 -2.37 115.31 116.83 1jm7 h LEU 41 Ca 0.06 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1jm7 h LEU 41 Cb 0.00 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1jm7 h LEU 41 CO -0.01 0.30 0.41 -0.78 -0.34 0.00 0.00 178.44 178.02 1jm7 h ASP 42 N 0.39 0.70 -0.81 1.25 1.82 -1.19 -1.76 116.42 116.81 1jm7 h ASP 42 Ca 0.11 -0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.71 1jm7 h ASP 42 Cb 0.00 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 39.80 1jm7 h ASP 42 CO -0.02 0.50 0.43 0.03 -1.61 0.00 0.00 179.24 178.57 1jm7 h ARG 43 N 0.82 1.14 -0.04 0.28 3.08 -1.29 -2.33 114.38 116.04 1jm7 h ARG 43 Ca 0.24 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 1jm7 h ARG 43 Cb -0.05 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.77 1jm7 h ARG 43 CO -0.06 0.85 -0.55 1.25 -1.07 0.00 0.00 179.97 180.40 1jm7 h LEU 44 N 1.13 0.12 -1.02 3.04 6.46 -1.00 -3.09 115.31 120.96 1jm7 h LEU 44 Ca 0.28 -0.06 0.03 0.00 -0.12 0.00 0.00 57.88 58.01 1jm7 h LEU 44 Cb 0.06 -0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 39.89 1jm7 h LEU 44 CO -0.04 0.65 0.66 -0.33 -0.62 0.00 0.00 178.44 178.75 1jm7 h GLU 45 N 0.08 1.24 -0.18 1.25 5.08 -0.79 -0.96 114.58 120.30 1jm7 h GLU 45 Ca -0.00 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1jm7 h GLU 45 Cb 1.00 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1jm7 h GLU 45 CO 0.08 0.82 0.19 0.87 -1.00 0.00 0.00 179.01 179.96 1jm7 h LYS 46 N 1.28 0.00 0.00 2.33 6.56 -1.43 0.89 116.57 126.20 1jm7 h LYS 46 Ca 0.39 0.00 -0.21 0.00 -1.06 0.00 0.00 60.65 59.78 1jm7 h LYS 46 Cb -0.02 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.61 1jm7 h LYS 46 CO -0.12 0.00 -0.98 -0.07 -2.06 0.00 0.00 179.45 176.22 1jm7 h LEU 47 N 0.00 0.00 0.00 2.94 3.38 -1.30 -3.30 115.31 117.02 1jm7 h LEU 47 Ca 0.09 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 1jm7 h LEU 47 Cb 0.46 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1jm7 h LEU 47 CO -0.00 0.98 -1.64 0.18 0.09 0.00 0.00 178.44 178.05 1jm7 n LEU 48 N -3.37 0.58 -4.68 1.67 4.77 0.08 -4.92 117.00 111.13 1jm7 n LEU 48 Ca -0.00 0.25 -0.51 0.00 -0.03 0.00 0.00 56.01 55.73 1jm7 n LEU 48 Cb 0.93 0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 42.09 1jm7 n LEU 48 CO 0.47 0.16 1.37 -1.14 -1.33 0.00 0.00 177.39 176.92 1jm7 n ARG 49 N -2.76 1.83 -1.63 3.23 0.63 0.29 -4.27 116.66 113.98 1jm7 n ARG 49 Ca -0.12 0.67 -0.37 0.00 -0.92 0.00 0.00 57.85 57.10 1jm7 n ARG 49 Cb 0.83 -2.45 0.06 0.00 0.45 0.00 0.00 32.46 31.36 1jm7 n ARG 49 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1jm7 h SER 51 N 0.45 0.00 0.00 0.00 0.87 -1.90 -1.93 113.55 111.04 1jm7 h SER 51 Ca -0.49 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.03 1jm7 h SER 51 Cb 1.36 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.31 1jm7 h SER 51 CO 0.51 0.77 -1.04 0.54 -0.53 0.00 0.00 176.83 177.08 1jm7 n ARG 52 N -3.61 0.52 0.21 2.24 3.00 -1.26 -4.41 116.66 113.35 1jm7 n ARG 52 Ca -0.01 0.28 0.15 0.00 -0.01 0.00 0.00 57.85 58.27 1jm7 n ARG 52 Cb 0.75 -1.49 0.73 0.00 0.00 0.00 0.00 32.46 32.44 1jm7 n ARG 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1jm7 n THR 54 N -2.57 -1.47 -3.30 0.00 5.66 -0.73 -4.89 114.28 106.98 1jm7 n THR 54 Ca -0.01 -0.27 -0.02 0.00 -3.05 0.00 0.00 64.05 60.70 1jm7 n THR 54 Cb 0.13 -1.64 0.00 0.00 -1.55 0.00 0.00 70.33 67.28 1jm7 n THR 54 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1jm7 n ASN 55 N -2.78 -0.51 -4.71 1.09 2.85 -1.26 -4.84 115.26 105.11 1jm7 n ASN 55 Ca -0.13 -1.40 -0.42 0.00 -0.11 0.00 0.00 54.58 52.52 1jm7 n ASN 55 Cb 0.59 0.86 -0.03 0.00 1.24 0.00 0.00 39.78 42.44 1jm7 n ASN 55 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1jm7 s ILE 56 N -2.73 3.23 0.13 -1.44 -1.09 -1.26 -0.74 121.20 117.31 1jm7 s ILE 56 Ca 0.05 0.84 0.07 0.00 -2.23 0.00 0.00 60.65 59.38 1jm7 s ILE 56 Cb -0.01 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1jm7 s ILE 56 CO 0.03 0.05 -0.07 -1.48 -1.23 0.00 0.00 174.94 172.24 1jm7 s LEU 57 N 1.43 3.12 -0.13 2.97 0.05 -1.26 -4.90 118.68 119.96 1jm7 s LEU 57 Ca 0.66 -0.40 -0.00 0.00 0.05 0.00 0.00 54.13 54.44 1jm7 s LEU 57 Cb -0.37 -1.86 0.03 0.00 -2.05 0.00 0.00 46.19 41.93 1jm7 s LEU 57 CO 0.30 0.15 -0.10 0.00 -0.55 0.00 0.00 176.35 176.15 1jm7 s ARG 58 N -2.48 1.78 -1.15 1.48 1.70 -1.26 -4.81 118.95 114.21 1jm7 s ARG 58 Ca 0.24 -0.39 -0.03 0.00 -0.47 0.00 0.00 55.73 55.07 1jm7 s ARG 58 Cb -0.10 -1.81 -0.03 0.00 -0.57 0.00 0.00 34.95 32.44 1jm7 s ARG 58 CO 0.15 -0.28 0.93 -1.91 -1.08 0.00 0.00 175.30 173.11 1jm7 n GLU 59 N 4.88 -4.50 -0.88 3.89 2.13 -1.26 -4.67 120.64 120.22 1jm7 n GLU 59 Ca -0.14 0.81 -0.30 0.00 0.66 0.00 0.00 57.16 58.19 1jm7 n GLU 59 Cb 0.50 -5.70 0.25 0.00 0.27 0.00 0.00 31.44 26.76 1jm7 n GLU 59 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1jm7 s PRO 60 N -5.09 -1.57 0.07 5.31 0.04 -1.26 -4.09 135.00 128.41 1jm7 s PRO 60 Ca 0.20 0.06 0.08 0.00 0.04 0.00 0.00 61.00 61.38 1jm7 s PRO 60 Cb -0.03 -1.54 -0.03 0.00 0.04 0.00 0.00 34.50 32.94 1jm7 s PRO 60 CO 0.75 -3.96 -0.21 0.08 0.04 0.00 0.00 177.00 173.70 1jm7 s VAL 61 N -2.79 1.70 0.14 -0.36 1.01 0.41 -1.81 120.40 118.70 1jm7 s VAL 61 Ca 0.70 -1.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 1jm7 s VAL 61 Cb -0.12 -1.51 -0.07 0.00 0.00 0.00 0.00 36.38 34.69 1jm7 s VAL 61 CO 0.57 0.11 1.05 0.00 0.00 0.00 0.00 175.10 176.83 1jm7 h LEU 63 N 5.49 -1.07 0.00 0.00 7.12 -1.95 -3.46 115.31 121.44 1jm7 h LEU 63 Ca -0.43 0.05 0.00 0.00 0.13 0.00 0.00 57.88 57.63 1jm7 h LEU 63 Cb 1.21 0.30 0.00 0.00 -0.53 0.00 0.00 40.66 41.64 1jm7 h LEU 63 CO 0.73 -0.69 0.00 0.61 -0.13 0.00 0.00 178.44 178.96 1jm7 n GLY 64 N -1.59 -1.39 2.69 3.75 0.00 -1.26 -4.55 105.19 102.84 1jm7 n GLY 64 Ca -0.15 0.53 -0.02 0.00 0.00 0.00 0.00 46.02 46.38 1jm7 n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jm7 n GLY 65 N 0.00 1.96 0.00 -0.02 0.00 -1.24 -4.14 105.19 101.75 1jm7 n GLY 65 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1jm7 n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jm7 n GLU 67 N 0.00 2.48 -4.17 0.00 0.00 -1.26 -5.05 120.64 112.63 1jm7 n GLU 67 Ca 0.00 -3.81 -0.17 0.00 0.00 0.00 0.00 57.16 53.18 1jm7 n GLU 67 Cb 0.00 -1.86 -0.15 0.00 0.00 0.00 0.00 31.44 29.43 1jm7 n GLU 67 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1jm7 s HIS 68 N -3.62 0.54 -0.00 -1.84 3.76 -1.26 -5.12 115.29 107.76 1jm7 s HIS 68 Ca 0.37 -0.11 0.06 0.00 -0.15 0.00 0.00 55.06 55.23 1jm7 s HIS 68 Cb 0.38 -0.40 -0.02 0.00 1.11 0.00 0.00 32.58 33.65 1jm7 s HIS 68 CO -0.02 -0.05 -0.18 0.42 -0.85 0.00 0.00 174.74 174.06 1jm7 s ILE 69 N 0.14 1.46 0.25 0.60 1.09 -1.26 -3.93 121.20 119.55 1jm7 s ILE 69 Ca -0.01 -0.86 0.02 0.00 -1.10 0.00 0.00 60.65 58.69 1jm7 s ILE 69 Cb -0.05 -1.23 -0.04 0.00 -1.06 0.00 0.00 42.46 40.08 1jm7 s ILE 69 CO -0.00 0.35 0.17 -0.36 -0.10 0.00 0.00 174.94 175.00 1jm7 s PHE 70 N -0.52 1.39 0.90 3.97 0.40 -1.23 -3.43 117.98 119.47 1jm7 s PHE 70 Ca 0.07 -1.45 -0.15 0.00 -0.60 0.00 0.00 56.93 54.80 1jm7 s PHE 70 Cb -0.07 -0.65 0.23 0.00 0.51 0.00 0.00 43.02 43.04 1jm7 s PHE 70 CO -0.00 -0.67 0.59 0.00 0.70 0.00 0.00 175.22 175.83 1jm7 n SER 72 N -4.67 4.22 -0.38 0.00 3.41 -1.26 -3.21 113.62 111.73 1jm7 n SER 72 Ca 0.09 -3.39 0.00 0.00 -0.26 0.00 0.00 58.87 55.31 1jm7 n SER 72 Cb 0.38 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 1jm7 n SER 72 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1jm7 n ASN 73 N -0.58 0.00 0.00 4.04 2.85 -1.26 -4.90 115.26 115.40 1jm7 n ASN 73 Ca 0.45 -1.43 0.00 0.00 -0.11 0.00 0.00 54.58 53.49 1jm7 n ASN 73 Cb 1.42 -0.09 0.00 0.00 1.24 0.00 0.00 39.78 42.35 1jm7 n ASN 73 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1jm7 h VAL 75 N 0.00 1.12 -0.72 0.00 3.04 -1.91 -2.32 116.25 115.46 1jm7 h VAL 75 Ca 0.00 -0.53 0.20 0.00 -1.01 0.00 0.00 66.70 65.35 1jm7 h VAL 75 Cb 0.33 1.18 -0.03 0.00 -2.01 0.00 0.00 31.29 30.76 1jm7 h VAL 75 CO 0.00 0.16 0.51 0.28 -1.01 0.00 0.00 177.57 177.51 1jm7 h SER 76 N 0.11 0.06 -1.76 3.17 0.02 -1.87 -3.12 113.55 110.16 1jm7 h SER 76 Ca 0.02 0.01 -0.53 0.00 -0.84 0.00 0.00 61.79 60.45 1jm7 h SER 76 Cb 0.26 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1jm7 h SER 76 CO 0.02 0.03 1.56 0.47 -1.14 0.00 0.00 176.83 177.77 1jm7 n ASP 77 N -4.35 2.75 -2.05 3.07 9.92 -0.88 -1.48 116.55 123.54 1jm7 n ASP 77 Ca 0.14 -0.13 -0.20 0.00 -0.53 0.00 0.00 54.79 54.07 1jm7 n ASP 77 Cb 0.75 -1.55 -0.04 0.00 -0.64 0.00 0.00 41.12 39.63 1jm7 n ASP 77 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jm7 h ILE 79 N 0.00 0.86 0.00 0.00 -0.00 -1.19 -3.24 117.51 113.93 1jm7 h ILE 79 Ca -0.45 -0.28 -0.66 0.00 -0.00 0.00 0.00 64.86 63.46 1jm7 h ILE 79 Cb 1.34 -0.03 0.02 0.00 -0.00 0.00 0.00 36.82 38.15 1jm7 h ILE 79 CO 0.59 0.15 2.59 0.61 -0.00 0.00 0.00 178.15 182.08 1jm7 n GLY 80 N -1.33 3.19 0.75 8.18 0.00 -1.26 -3.26 105.19 111.45 1jm7 n GLY 80 Ca 0.17 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1jm7 n GLY 80 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jm7 n THR 81 N 5.64 0.00 0.00 2.61 -1.04 -1.22 -5.05 114.28 115.22 1jm7 n THR 81 Ca 0.51 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.52 1jm7 n THR 81 Cb 0.39 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 1jm7 n THR 81 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jm7 n GLY 82 N -1.36 3.78 3.70 3.41 0.00 -1.20 -4.43 105.19 109.08 1jm7 n GLY 82 Ca 0.00 -1.44 -0.44 0.00 0.00 0.00 0.00 46.02 44.14 1jm7 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jm7 h PRO 84 N 5.07 0.00 0.00 0.00 0.13 -1.97 0.14 132.00 135.37 1jm7 h PRO 84 Ca -0.45 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.49 1jm7 h PRO 84 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1jm7 h PRO 84 CO 0.82 0.00 -1.56 0.28 -0.23 0.00 0.00 178.00 177.31 1jm7 n VAL 85 N -2.97 1.19 -0.03 1.56 0.31 -1.26 -4.27 118.33 112.86 1jm7 n VAL 85 Ca 0.04 -0.71 0.04 0.00 -0.01 0.00 0.00 64.34 63.70 1jm7 n VAL 85 Cb 0.52 -0.71 -0.14 0.00 -0.91 0.00 0.00 33.84 32.60 1jm7 n VAL 85 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jm7 n TYR 87 N -2.28 -2.34 -4.75 0.00 4.02 0.48 -5.01 117.16 107.27 1jm7 n TYR 87 Ca -0.11 0.78 -0.32 0.00 -0.01 0.00 0.00 57.90 58.25 1jm7 n TYR 87 Cb 0.65 -4.45 -0.13 0.00 -0.02 0.00 0.00 39.34 35.39 1jm7 n TYR 87 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1jm7 s THR 88 N -3.24 3.00 0.39 -0.72 2.01 -1.22 -4.97 115.64 110.90 1jm7 s THR 88 Ca 0.45 -0.93 -0.25 0.00 0.31 0.00 0.00 61.69 61.27 1jm7 s THR 88 Cb -0.20 -2.23 -0.09 0.00 0.01 0.00 0.00 72.50 70.00 1jm7 s THR 88 CO 0.56 0.46 1.14 -2.16 -0.69 0.00 0.00 174.62 173.93 1jm7 s PRO 89 N -1.11 4.13 -0.37 4.92 0.04 -1.26 -2.43 135.00 138.92 1jm7 s PRO 89 Ca 0.14 1.78 -0.29 0.00 0.04 0.00 0.00 61.00 62.66 1jm7 s PRO 89 Cb -0.11 -2.70 0.02 0.00 0.04 0.00 0.00 34.50 31.75 1jm7 s PRO 89 CO 0.03 -0.24 1.19 0.00 0.04 0.00 0.00 177.00 178.02 1jm7 s ALA 90 N -1.44 3.32 -0.67 8.56 0.00 -1.26 -3.65 121.76 126.63 1jm7 s ALA 90 Ca 0.56 -0.14 0.12 0.00 0.00 0.00 0.00 51.96 52.50 1jm7 s ALA 90 Cb -0.29 -3.79 0.61 0.00 0.00 0.00 0.00 23.12 19.65 1jm7 s ALA 90 CO 0.37 -1.86 1.45 1.87 0.00 0.00 0.00 175.76 177.59 1jm7 n TRP 91 N 7.53 1.47 -3.80 0.00 -0.00 -1.26 -4.70 117.44 116.69 1jm7 n TRP 91 Ca 0.13 -0.53 -0.30 0.00 -0.00 0.00 0.00 57.50 56.81 1jm7 n TRP 91 Cb 0.48 -0.35 -0.14 0.00 -0.00 0.00 0.00 31.31 31.29 1jm7 n TRP 91 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 177.69 178.65 1jm7 s ILE 92 N -2.18 1.66 0.53 5.87 -4.36 -1.26 -4.96 121.20 116.50 1jm7 s ILE 92 Ca 0.41 -2.52 0.18 0.00 -0.26 0.00 0.00 60.65 58.47 1jm7 s ILE 92 Cb 0.30 -2.18 0.29 0.00 1.25 0.00 0.00 42.46 42.12 1jm7 s ILE 92 CO 0.14 -0.81 2.14 -0.61 0.24 0.00 0.00 174.94 176.04 1jm7 h GLN 93 N 6.98 0.00 0.00 0.37 4.15 -1.96 -3.43 115.11 121.21 1jm7 h GLN 93 Ca -0.05 0.00 -0.41 0.00 0.77 0.00 0.00 58.65 58.96 1jm7 h GLN 93 Cb 0.94 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.61 1jm7 h GLN 93 CO 0.53 0.00 -0.17 -0.25 -1.93 0.00 0.00 178.83 177.00 1jm7 n ASP 94 N -4.45 2.16 -4.32 -0.69 8.00 -1.26 -5.00 116.55 110.99 1jm7 n ASP 94 Ca -0.01 -2.35 -0.44 0.00 0.71 0.00 0.00 54.79 52.69 1jm7 n ASP 94 Cb 0.16 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.17 1jm7 n ASP 94 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1jm7 s LEU 95 N 0.00 6.30 1.31 0.64 2.96 -1.26 -5.05 118.68 123.58 1jm7 s LEU 95 Ca 0.27 -3.55 -0.20 0.00 -0.22 0.00 0.00 54.13 50.43 1jm7 s LEU 95 Cb -0.02 -2.18 0.33 0.00 0.50 0.00 0.00 46.19 44.81 1jm7 s LEU 95 CO 0.17 -0.30 0.99 -0.54 -1.32 0.00 0.00 176.35 175.36 1jm7 s LYS 96 N -1.18 -2.05 -0.03 1.98 1.02 -1.26 -5.04 119.74 113.18 1jm7 s LYS 96 Ca 0.30 0.24 0.02 0.00 0.02 0.00 0.00 55.97 56.55 1jm7 s LYS 96 Cb -0.10 -1.47 0.01 0.00 -0.52 0.00 0.00 37.83 35.75 1jm7 s LYS 96 CO -0.08 -4.32 -0.09 0.42 -0.92 0.00 0.00 175.35 170.35 1jm7 s ILE 97 N -2.50 0.83 -0.98 2.17 -1.09 -1.26 -4.41 121.20 113.95 1jm7 s ILE 97 Ca 0.69 -0.36 -0.22 0.00 -2.23 0.00 0.00 60.65 58.52 1jm7 s ILE 97 Cb -0.15 -0.75 0.07 0.00 -1.58 0.00 0.00 42.46 40.04 1jm7 s ILE 97 CO 0.59 0.27 1.36 0.20 -1.23 0.00 0.00 174.94 176.13 1jm7 s ASN 98 N 0.33 6.50 0.28 3.58 0.01 -0.75 -4.84 114.94 120.05 1jm7 s ASN 98 Ca -0.06 -1.52 -0.03 0.00 -0.71 0.00 0.00 52.86 50.55 1jm7 s ASN 98 Cb -0.10 -2.53 0.39 0.00 0.41 0.00 0.00 41.25 39.41 1jm7 s ASN 98 CO 0.01 -1.43 1.93 0.03 -1.51 0.00 0.00 177.10 176.12 1jm7 h ARG 99 N 9.61 1.17 0.35 -0.60 3.08 -1.98 0.48 114.38 126.49 1jm7 h ARG 99 Ca 0.16 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1jm7 h ARG 99 Cb 1.02 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1jm7 h ARG 99 CO 1.35 0.77 -0.17 1.96 -1.07 0.00 0.00 179.97 182.81 1jm7 h GLN 100 N 1.21 -0.46 -0.67 0.04 1.08 -2.00 -2.68 115.11 111.63 1jm7 h GLN 100 Ca 0.37 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.60 1jm7 h GLN 100 Cb -0.02 0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 1jm7 h GLN 100 CO -0.11 -0.14 0.43 -0.07 -0.95 0.00 0.00 178.83 177.99 1jm7 h LEU 101 N -0.94 0.78 0.67 1.46 3.38 -1.94 -1.07 115.31 117.66 1jm7 h LEU 101 Ca -0.05 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1jm7 h LEU 101 Cb 0.53 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1jm7 h LEU 101 CO 0.08 0.58 -0.48 -0.78 0.09 0.00 0.00 178.44 177.93 1jm7 h ASP 102 N 0.92 -1.26 -0.10 -0.43 3.58 -0.06 -1.69 116.42 117.38 1jm7 h ASP 102 Ca 0.25 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.77 1jm7 h ASP 102 Cb -0.08 0.39 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1jm7 h ASP 102 CO -0.05 -0.70 0.05 0.28 -2.88 0.00 0.00 179.24 175.94 1jm7 h SER 103 N -1.10 0.15 -0.80 2.28 0.02 -1.34 -1.77 113.55 110.98 1jm7 h SER 103 Ca -0.09 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1jm7 h SER 103 Cb 0.90 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.37 1jm7 h SER 103 CO 0.04 0.14 0.52 -0.03 -1.14 0.00 0.00 176.83 176.36 1jm7 h MET 104 N 0.17 1.07 -0.34 3.45 1.85 -0.68 -2.19 114.93 118.27 1jm7 h MET 104 Ca 0.04 -0.08 -0.05 0.00 -0.61 0.00 0.00 59.70 59.00 1jm7 h MET 104 Cb 0.04 -0.24 -0.01 0.00 0.43 0.00 0.00 31.60 31.82 1jm7 h MET 104 CO -0.01 0.73 -0.00 0.82 -0.40 0.00 0.00 176.91 178.05 1jm7 h ILE 105 N 1.10 1.26 -0.10 1.77 2.04 -0.41 -2.70 117.51 120.46 1jm7 h ILE 105 Ca 0.29 -0.97 0.01 0.00 1.00 0.00 0.00 64.86 65.20 1jm7 h ILE 105 Cb -0.10 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1jm7 h ILE 105 CO -0.06 0.32 0.07 -0.61 0.00 0.00 0.00 178.15 177.87 1jm7 h GLN 106 N 0.40 0.09 -0.33 2.37 -0.00 -1.35 -2.03 115.11 114.27 1jm7 h GLN 106 Ca 0.10 -0.01 -0.07 0.00 -0.00 0.00 0.00 58.65 58.67 1jm7 h GLN 106 Cb 0.45 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.90 1jm7 h GLN 106 CO 0.02 0.06 -0.05 -0.07 0.00 0.00 0.00 178.83 178.79 1jm7 h LEU 107 N 0.09 0.61 -1.40 -2.39 -0.00 -1.09 -2.78 115.31 108.35 1jm7 h LEU 107 Ca 0.04 -0.34 0.02 0.00 -0.00 0.00 0.00 57.88 57.60 1jm7 h LEU 107 Cb 0.06 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 40.52 1jm7 h LEU 107 CO -0.01 0.81 0.42 0.00 -0.00 0.00 0.00 178.44 179.67 1jm7 h SER 109 N 0.79 0.22 -0.10 0.00 0.02 -1.31 -2.96 113.55 110.20 1jm7 h SER 109 Ca 0.25 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1jm7 h SER 109 Cb 0.02 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 1jm7 h SER 109 CO -0.06 0.51 0.06 0.11 -1.14 0.00 0.00 176.83 176.31 1jm7 h LYS 110 N 0.19 0.14 -0.57 3.45 1.57 -0.93 -2.44 116.57 117.98 1jm7 h LYS 110 Ca 0.03 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1jm7 h LYS 110 Cb 0.63 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 1jm7 h LYS 110 CO 0.05 0.13 0.38 -0.07 -0.57 0.00 0.00 179.45 179.36 1jm7 h LEU 111 N 0.11 0.65 -1.10 2.94 4.07 -1.41 -1.45 115.31 119.12 1jm7 h LEU 111 Ca 0.04 -0.02 0.02 0.00 0.08 0.00 0.00 57.88 58.00 1jm7 h LEU 111 Cb 0.02 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 41.56 1jm7 h LEU 111 CO -0.01 0.47 0.61 0.03 -1.08 0.00 0.00 178.44 178.46 1jm7 h ARG 112 N 0.76 1.19 -0.06 1.13 3.08 -1.29 0.43 114.38 119.63 1jm7 h ARG 112 Ca 0.21 -0.07 -0.23 0.00 0.07 0.00 0.00 59.98 59.96 1jm7 h ARG 112 Cb -0.07 -0.27 0.02 0.00 0.08 0.00 0.00 29.97 29.73 1jm7 h ARG 112 CO -0.05 0.79 -0.87 -0.91 -1.07 0.00 0.00 179.97 177.86 1jm7 h ASN 113 N 1.23 0.86 0.36 7.04 4.21 -1.04 -1.70 115.58 126.53 1jm7 h ASN 113 Ca 0.34 -0.70 -0.11 0.00 1.21 0.00 0.00 56.30 57.05 1jm7 h ASN 113 Cb -0.11 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 36.82 1jm7 h ASN 113 CO -0.08 1.44 -0.46 -0.07 -1.29 0.00 0.00 177.43 176.97 1jm7 h LEU 114 N 0.36 0.13 0.11 1.61 3.38 -0.91 0.81 115.31 120.80 1jm7 h LEU 114 Ca -0.09 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1jm7 h LEU 114 Cb 1.52 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1jm7 h LEU 114 CO 0.17 0.57 -0.05 -0.07 0.09 0.00 0.00 178.44 179.15 1jm7 h LEU 115 N 0.10 -0.12 -0.61 1.67 3.38 -0.16 -3.33 115.31 116.23 1jm7 h LEU 115 Ca 0.00 -0.38 -0.15 0.00 0.09 0.00 0.00 57.88 57.44 1jm7 h LEU 115 Cb 0.85 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1jm7 h LEU 115 CO 0.07 0.50 -0.67 0.45 0.09 0.00 0.00 178.44 178.88 1jm7 h HIS 116 N -0.94 0.15 -3.52 1.13 3.86 -1.36 -3.50 115.15 110.97 1jm7 h HIS 116 Ca -0.01 -0.06 0.25 0.00 -1.16 0.00 0.00 60.37 59.38 1jm7 h HIS 116 Cb 0.50 -0.02 -0.14 0.00 1.06 0.00 0.00 27.41 28.81 1jm7 h HIS 116 CO 0.10 0.75 -1.18 -0.25 0.86 0.00 0.00 177.93 178.21 1jm7 n ASP 117 N -3.78 -7.88 -4.52 2.45 8.00 0.28 -4.85 116.55 106.25 1jm7 n ASP 117 Ca -0.02 1.56 -0.36 0.00 0.71 0.00 0.00 54.79 56.68 1jm7 n ASP 117 Cb 0.66 -4.92 -0.12 0.00 -0.02 0.00 0.00 41.12 36.72 1jm7 n ASP 117 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1jm7 s ASN 118 N -6.69 5.38 0.08 -2.24 3.84 -1.26 -5.00 114.94 109.05 1jm7 s ASN 118 Ca 0.00 -0.10 -0.27 0.00 0.21 0.00 0.00 52.86 52.70 1jm7 s ASN 118 Cb 0.00 -1.96 0.08 0.00 -0.55 0.00 0.00 41.25 38.82 1jm7 s ASN 118 CO 0.00 0.03 0.94 -1.61 -2.79 0.00 0.00 177.10 173.66 1jm7 s GLU 119 N 1.26 1.01 0.32 0.43 2.02 -1.26 -5.19 118.70 117.29 1jm7 s GLU 119 Ca 0.05 -0.49 0.01 0.00 0.02 0.00 0.00 54.97 54.56 1jm7 s GLU 119 Cb -0.15 0.39 -0.01 0.00 0.10 0.00 0.00 34.13 34.46 1jm7 s GLU 119 CO 0.04 -0.46 0.36 -0.51 0.02 0.00 0.00 175.26 174.72 1jm7 s LEU 120 N -2.74 1.26 0.92 1.80 1.43 -1.26 -5.17 118.68 114.91 1jm7 s LEU 120 Ca 0.09 -1.54 -0.13 0.00 -1.03 0.00 0.00 54.13 51.52 1jm7 s LEU 120 Cb -0.01 1.02 0.19 0.00 0.03 0.00 0.00 46.19 47.42 1jm7 s LEU 120 CO -0.03 -1.15 1.27 -0.44 0.23 0.00 0.00 176.35 176.23 1jm7 s SER 121 N -3.26 3.31 0.00 2.29 0.01 -1.26 -5.34 113.70 109.44 1jm7 s SER 121 Ca 0.35 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.75 1jm7 s SER 121 Cb 0.01 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.02 1jm7 s SER 121 CO 0.21 -2.60 0.19 -0.90 0.41 0.00 0.00 173.24 170.55