#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mx7 n VAL 2 N 0.00 4.65 -2.63 0.52 0.24 -1.26 -4.79 118.33 115.06 1mx7 n VAL 2 Ca 0.00 -5.77 -0.20 0.00 -2.04 0.00 0.00 64.34 56.34 1mx7 n VAL 2 Cb 0.00 -1.92 0.01 0.00 -1.47 0.00 0.00 33.84 30.46 1mx7 n VAL 2 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1mx7 n ASP 3 N 0.80 3.19 0.00 -1.34 9.92 -1.26 -5.00 116.55 122.86 1mx7 n ASP 3 Ca 0.31 -3.29 0.00 0.00 -0.53 0.00 0.00 54.79 51.29 1mx7 n ASP 3 Cb 0.34 -0.51 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 1mx7 n ASP 3 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1mx7 n PHE 4 N -0.25 0.00 -1.34 1.24 3.72 -1.26 -4.78 117.46 114.79 1mx7 n PHE 4 Ca 0.26 0.00 -0.53 0.00 -0.05 0.00 0.00 57.45 57.13 1mx7 n PHE 4 Cb 0.70 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 39.11 1mx7 n PHE 4 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1mx7 n ASN 5 N 0.37 0.61 0.00 4.37 5.15 -1.26 -4.73 115.26 119.78 1mx7 n ASN 5 Ca 0.00 0.49 0.00 0.00 -0.60 0.00 0.00 54.58 54.47 1mx7 n ASN 5 Cb 0.00 -0.92 0.00 0.00 -0.53 0.00 0.00 39.78 38.33 1mx7 n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1mx7 n GLY 6 N 7.12 2.08 3.52 8.20 0.00 -1.14 -5.04 105.19 119.92 1mx7 n GLY 6 Ca 0.59 0.19 -0.00 0.00 0.00 0.00 0.00 46.02 46.79 1mx7 n GLY 6 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1mx7 s TYR 7 N 1.56 -0.81 -0.39 1.61 6.14 -1.26 -4.24 117.35 119.96 1mx7 s TYR 7 Ca 0.00 1.47 -0.09 0.00 0.64 0.00 0.00 57.07 59.09 1mx7 s TYR 7 Cb 0.00 0.49 0.05 0.00 0.42 0.00 0.00 41.96 42.92 1mx7 s TYR 7 CO 0.00 -0.40 0.20 -1.58 0.64 0.00 0.00 175.55 174.41 1mx7 s TRP 8 N 2.23 3.29 -0.44 4.97 0.51 0.93 -2.96 118.94 127.46 1mx7 s TRP 8 Ca -0.05 -1.34 -0.17 0.00 -2.12 0.00 0.00 56.10 52.42 1mx7 s TRP 8 Cb -0.07 -2.63 0.04 0.00 -0.81 0.00 0.00 33.47 30.00 1mx7 s TRP 8 CO -0.17 -0.76 0.44 -1.59 -0.51 0.00 0.00 176.95 174.36 1mx7 s LYS 9 N 1.46 3.06 1.07 4.98 -2.85 -0.96 -2.32 119.74 124.18 1mx7 s LYS 9 Ca 0.02 -0.93 -0.18 0.00 -1.00 0.00 0.00 55.97 53.88 1mx7 s LYS 9 Cb -0.21 -4.02 0.06 0.00 -2.06 0.00 0.00 37.83 31.60 1mx7 s LYS 9 CO 0.04 -0.93 0.00 0.00 0.10 0.00 0.00 175.35 174.55 1mx7 n MET 10 N 5.56 -1.13 0.05 1.78 0.00 -1.26 -2.05 117.12 120.07 1mx7 n MET 10 Ca -0.09 -0.31 0.00 0.00 0.00 0.00 0.00 57.70 57.31 1mx7 n MET 10 Cb 0.46 -1.68 0.00 0.00 0.00 0.00 0.00 33.22 32.00 1mx7 n MET 10 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1mx7 n LEU 11 N -1.15 0.44 -3.91 3.17 0.00 0.99 -4.69 117.00 111.84 1mx7 n LEU 11 Ca 0.02 0.15 -0.09 0.00 0.00 0.00 0.00 56.01 56.09 1mx7 n LEU 11 Cb 0.61 -0.06 -0.09 0.00 0.00 0.00 0.00 43.42 43.87 1mx7 n LEU 11 CO 0.51 -0.67 -0.18 -0.94 0.00 0.00 0.00 177.39 176.12 1mx7 s SER 12 N -5.31 0.16 0.13 1.96 1.04 -1.12 -4.99 113.70 105.57 1mx7 s SER 12 Ca 0.00 -0.54 0.06 0.00 0.48 0.00 0.00 55.95 55.95 1mx7 s SER 12 Cb 0.00 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 1mx7 s SER 12 CO 0.00 -0.56 -0.14 0.54 0.98 0.00 0.00 173.24 174.07 1mx7 s ASN 13 N -2.27 2.03 -0.02 7.02 4.22 -1.26 -0.77 114.94 123.89 1mx7 s ASN 13 Ca -0.03 -0.85 -0.07 0.00 -2.14 0.00 0.00 52.86 49.77 1mx7 s ASN 13 Cb 0.00 -0.07 0.01 0.00 1.28 0.00 0.00 41.25 42.47 1mx7 s ASN 13 CO -0.06 -0.17 0.15 -1.83 -2.04 0.00 0.00 177.10 173.16 1mx7 s GLU 14 N -2.88 0.40 -1.07 3.55 1.03 -0.63 -4.90 118.70 114.21 1mx7 s GLU 14 Ca 0.11 -0.20 0.00 0.00 0.03 0.00 0.00 54.97 54.91 1mx7 s GLU 14 Cb -0.04 0.17 0.00 0.00 -0.80 0.00 0.00 34.13 33.46 1mx7 s GLU 14 CO 0.03 -0.09 0.00 0.09 -1.33 0.00 0.00 175.26 173.96 1mx7 n ASN 15 N 1.92 -4.23 -0.19 0.83 4.13 -1.26 -2.85 115.26 113.61 1mx7 n ASN 15 Ca -0.20 0.25 0.03 0.00 1.68 0.00 0.00 54.58 56.34 1mx7 n ASN 15 Cb 0.57 -3.39 0.30 0.00 -1.54 0.00 0.00 39.78 35.71 1mx7 n ASN 15 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1mx7 h PHE 16 N 0.00 0.85 -0.02 3.10 3.57 -1.90 -1.42 116.94 121.12 1mx7 h PHE 16 Ca -0.21 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.11 1mx7 h PHE 16 Cb 0.92 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 1mx7 h PHE 16 CO 0.45 0.51 -0.87 1.49 -2.23 0.00 0.00 178.31 177.65 1mx7 h GLU 17 N 0.89 0.35 0.00 1.11 4.22 -1.90 -2.83 114.58 116.42 1mx7 h GLU 17 Ca 0.28 -0.35 -0.11 0.00 0.08 0.00 0.00 59.36 59.26 1mx7 h GLU 17 Cb 0.01 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1mx7 h GLU 17 CO -0.07 1.03 -0.50 1.49 -2.18 0.00 0.00 179.01 178.78 1mx7 h GLU 18 N 0.21 0.00 -0.51 1.92 4.81 -1.92 -2.88 114.58 116.21 1mx7 h GLU 18 Ca -0.06 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 1mx7 h GLU 18 Cb 1.49 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.85 1mx7 h GLU 18 CO 0.15 0.50 0.09 -0.92 -0.73 0.00 0.00 179.01 178.09 1mx7 h TYR 19 N 0.00 0.90 0.00 0.92 3.20 -1.15 -2.82 116.97 118.01 1mx7 h TYR 19 Ca -0.01 -0.12 -0.09 0.00 3.14 0.00 0.00 58.73 61.65 1mx7 h TYR 19 Cb 1.06 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 1mx7 h TYR 19 CO 0.00 0.81 -0.42 -0.07 -1.64 0.00 0.00 178.16 176.84 1mx7 h LEU 20 N 0.72 0.00 -1.36 2.82 3.38 -1.41 -3.05 115.31 116.40 1mx7 h LEU 20 Ca 0.16 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1mx7 h LEU 20 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1mx7 h LEU 20 CO 0.01 0.42 -0.30 -0.09 0.09 0.00 0.00 178.44 178.57 1mx7 h ARG 21 N 0.00 0.00 -0.26 1.13 2.43 -1.28 -2.43 114.38 113.96 1mx7 h ARG 21 Ca -0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 1mx7 h ARG 21 Cb 1.08 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1mx7 h ARG 21 CO 0.05 0.30 -0.36 0.00 -1.51 0.00 0.00 179.97 178.46 1mx7 h ALA 22 N 1.70 0.40 0.00 2.80 0.00 -1.40 -2.79 119.26 119.97 1mx7 h ALA 22 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1mx7 h ALA 22 Cb 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1mx7 h ALA 22 CO 0.04 0.47 0.00 1.28 0.00 0.00 0.00 179.25 181.04 1mx7 n LEU 23 N -4.22 0.57 -4.23 0.00 4.77 -1.12 -4.90 117.00 107.87 1mx7 n LEU 23 Ca -0.04 0.58 -0.37 0.00 -0.03 0.00 0.00 56.01 56.14 1mx7 n LEU 23 Cb 0.51 -0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 1mx7 n LEU 23 CO 0.46 -0.24 -0.05 0.47 -1.33 0.00 0.00 177.39 176.70 1mx7 n ASP 24 N -2.05 -3.06 0.26 -1.43 8.00 -0.93 -4.85 116.55 112.49 1mx7 n ASP 24 Ca 0.05 -1.01 -0.13 0.00 0.71 0.00 0.00 54.79 54.41 1mx7 n ASP 24 Cb 0.35 -2.52 -0.06 0.00 -0.02 0.00 0.00 41.12 38.86 1mx7 n ASP 24 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1mx7 h VAL 25 N -1.33 0.00 -2.22 2.53 2.07 -1.87 -3.47 116.25 111.95 1mx7 h VAL 25 Ca -0.58 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.07 1mx7 h VAL 25 Cb 1.38 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 31.00 1mx7 h VAL 25 CO 0.79 0.00 0.52 0.21 0.02 0.00 0.00 177.57 179.10 1mx7 s ASN 26 N -3.47 -0.32 0.12 0.57 3.84 -1.26 -4.98 114.94 109.43 1mx7 s ASN 26 Ca -0.12 -0.05 0.00 0.00 0.21 0.00 0.00 52.86 52.90 1mx7 s ASN 26 Cb 0.02 0.38 -0.17 0.00 -0.55 0.00 0.00 41.25 40.93 1mx7 s ASN 26 CO 0.39 -0.63 1.26 0.58 -2.79 0.00 0.00 177.10 175.91 1mx7 h VAL 27 N 2.00 1.54 -0.02 -5.21 2.07 -1.98 -3.25 116.25 111.41 1mx7 h VAL 27 Ca -0.22 -2.97 -0.18 0.00 0.82 0.00 0.00 66.70 64.15 1mx7 h VAL 27 Cb 1.24 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 33.73 1mx7 h VAL 27 CO 0.30 0.86 -0.78 0.00 0.02 0.00 0.00 177.57 177.97 1mx7 h ALA 28 N 0.81 0.66 0.00 1.67 0.00 -2.01 -3.24 119.26 117.14 1mx7 h ALA 28 Ca -0.07 -0.66 -0.03 0.00 0.00 0.00 0.00 54.91 54.14 1mx7 h ALA 28 Cb 1.75 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1mx7 h ALA 28 CO 0.16 0.86 -0.14 1.25 0.00 0.00 0.00 179.25 181.39 1mx7 h LEU 29 N 0.11 0.00 -0.49 0.00 5.85 -1.98 -3.00 115.31 115.80 1mx7 h LEU 29 Ca -0.03 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.53 1mx7 h LEU 29 Cb 1.36 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 1mx7 h LEU 29 CO 0.12 0.14 -0.75 -0.09 -0.34 0.00 0.00 178.44 177.52 1mx7 h ARG 30 N 0.00 0.10 0.12 1.25 2.43 -1.58 0.22 114.38 116.92 1mx7 h ARG 30 Ca -0.00 -0.09 -0.29 0.00 -0.81 0.00 0.00 59.98 58.78 1mx7 h ARG 30 Cb 1.05 0.02 0.03 0.00 -0.42 0.00 0.00 29.97 30.65 1mx7 h ARG 30 CO 0.02 0.80 -1.23 -0.22 -1.51 0.00 0.00 179.97 177.82 1mx7 h LYS 31 N 0.06 0.57 -0.01 0.20 3.64 -1.65 -3.03 116.57 116.35 1mx7 h LYS 31 Ca -0.02 -0.77 -0.09 0.00 -1.27 0.00 0.00 60.65 58.50 1mx7 h LYS 31 Cb 1.31 0.26 0.01 0.00 -0.41 0.00 0.00 32.23 33.40 1mx7 h LYS 31 CO 0.11 1.34 -0.35 0.82 -2.27 0.00 0.00 179.45 179.10 1mx7 h ILE 32 N 0.25 1.49 0.00 2.00 1.08 -1.52 -3.30 117.51 117.51 1mx7 h ILE 32 Ca -0.18 -1.93 -0.01 0.00 -0.39 0.00 0.00 64.86 62.35 1mx7 h ILE 32 Cb 1.91 2.63 -0.00 0.00 -3.07 0.00 0.00 36.82 38.29 1mx7 h ILE 32 CO 0.23 0.54 -0.04 0.00 -0.69 0.00 0.00 178.15 178.19 1mx7 h ALA 33 N 0.31 1.04 -0.13 1.87 0.00 -0.67 -3.27 119.26 118.42 1mx7 h ALA 33 Ca -0.04 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1mx7 h ALA 33 Cb 1.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1mx7 h ALA 33 CO 0.07 0.05 -0.23 -0.97 0.00 0.00 0.00 179.25 178.17 1mx7 h ASN 34 N 0.00 0.43 -0.02 0.00 -1.24 -1.61 -3.19 115.58 109.95 1mx7 h ASN 34 Ca -0.00 -0.54 0.01 0.00 0.71 0.00 0.00 56.30 56.47 1mx7 h ASN 34 Cb 0.39 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.32 1mx7 h ASN 34 CO 0.00 0.89 0.05 0.17 -1.29 0.00 0.00 177.43 177.25 1mx7 h LEU 35 N -0.02 0.00-10.29 0.34 8.10 -1.70 -3.43 115.31 108.31 1mx7 h LEU 35 Ca 0.01 0.00 -0.51 0.00 0.11 0.00 0.00 57.88 57.48 1mx7 h LEU 35 Cb 0.81 0.00 0.13 0.00 -0.44 0.00 0.00 40.66 41.16 1mx7 h LEU 35 CO 0.05 0.00 0.32 -0.76 -4.11 0.00 0.00 178.44 173.95 1mx7 s LEU 36 N -6.63 3.09 -0.23 0.17 2.01 -1.21 -5.06 118.68 110.82 1mx7 s LEU 36 Ca -0.05 1.88 -0.03 0.00 0.01 0.00 0.00 54.13 55.94 1mx7 s LEU 36 Cb 0.13 -4.53 0.11 0.00 0.01 0.00 0.00 46.19 41.91 1mx7 s LEU 36 CO 0.44 -2.02 0.26 -0.54 1.01 0.00 0.00 176.35 175.50 1mx7 s LYS 37 N -4.73 0.24 -0.56 1.70 1.02 -1.26 -5.08 119.74 111.07 1mx7 s LYS 37 Ca 0.63 0.14 -0.22 0.00 0.02 0.00 0.00 55.97 56.53 1mx7 s LYS 37 Cb -0.18 -0.98 0.05 0.00 -0.52 0.00 0.00 37.83 36.20 1mx7 s LYS 37 CO 0.53 -0.76 0.85 -1.25 -0.92 0.00 0.00 175.35 173.81 1mx7 s PRO 38 N 2.36 3.22 0.13 -1.68 0.04 -1.26 -4.88 135.00 132.93 1mx7 s PRO 38 Ca 0.08 -0.58 -0.29 0.00 0.04 0.00 0.00 61.00 60.25 1mx7 s PRO 38 Cb -0.15 -4.11 -0.06 0.00 0.04 0.00 0.00 34.50 30.22 1mx7 s PRO 38 CO -0.18 -1.48 0.90 -0.51 0.04 0.00 0.00 177.00 175.77 1mx7 s ASP 39 N 2.99 7.46 0.01 6.66 1.01 -1.26 -4.75 116.67 128.80 1mx7 s ASP 39 Ca 0.24 1.74 0.08 0.00 0.71 0.00 0.00 52.55 55.32 1mx7 s ASP 39 Cb -0.16 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.19 1mx7 s ASP 39 CO 0.15 0.01 -0.23 -0.54 0.21 0.00 0.00 175.17 174.77 1mx7 s LYS 40 N -0.32 2.03 -0.20 8.23 1.02 -0.98 -1.96 119.74 127.57 1mx7 s LYS 40 Ca 0.43 -0.98 0.01 0.00 0.02 0.00 0.00 55.97 55.46 1mx7 s LYS 40 Cb -0.23 -2.08 0.03 0.00 -0.52 0.00 0.00 37.83 35.03 1mx7 s LYS 40 CO 0.29 0.55 -0.16 -2.00 -0.92 0.00 0.00 175.35 173.10 1mx7 s GLU 41 N -1.00 2.61 -0.10 1.68 -6.30 -0.65 -0.05 118.70 114.90 1mx7 s GLU 41 Ca 0.12 -0.94 -0.00 0.00 -2.50 0.00 0.00 54.97 51.65 1mx7 s GLU 41 Cb -0.10 -2.59 -0.03 0.00 0.00 0.00 0.00 34.13 31.41 1mx7 s GLU 41 CO 0.01 -0.33 -0.07 0.42 0.02 0.00 0.00 175.26 175.31 1mx7 s ILE 42 N 1.27 3.65 -0.08 -3.70 1.01 -1.26 -2.62 121.20 119.47 1mx7 s ILE 42 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1mx7 s ILE 42 Cb -0.15 -2.52 0.02 0.00 0.01 0.00 0.00 42.46 39.82 1mx7 s ILE 42 CO -0.10 0.56 -0.07 -0.69 0.00 0.00 0.00 174.94 174.65 1mx7 s VAL 43 N -0.37 0.82 0.34 2.92 1.01 -1.22 -2.90 120.40 121.00 1mx7 s VAL 43 Ca 0.05 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 61.89 1mx7 s VAL 43 Cb -0.12 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 1mx7 s VAL 43 CO 0.02 0.31 0.22 -1.58 0.00 0.00 0.00 175.10 174.08 1mx7 s GLN 44 N 1.35 2.55 0.00 2.72 0.74 -1.26 -2.35 119.66 123.41 1mx7 s GLN 44 Ca -0.03 -1.42 0.00 0.00 0.05 0.00 0.00 55.36 53.96 1mx7 s GLN 44 Cb -0.14 -2.33 0.00 0.00 1.10 0.00 0.00 33.01 31.65 1mx7 s GLN 44 CO -0.03 0.10 0.00 -3.47 -0.55 0.00 0.00 175.29 171.34 1mx7 n ASP 45 N -1.27 0.43 -4.50 6.67 -0.08 -0.15 -4.98 116.55 112.68 1mx7 n ASP 45 Ca -0.02 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.83 1mx7 n ASP 45 Cb 0.60 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.04 1mx7 n ASP 45 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1mx7 s GLY 46 N 0.00 1.52 -1.99 0.27 0.00 -1.26 -4.05 107.32 101.81 1mx7 s GLY 46 Ca 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 44.72 42.36 1mx7 s GLY 46 CO 0.00 2.34 0.00 1.22 0.00 0.00 0.00 173.10 176.66 1mx7 n ASP 47 N 7.83 -5.28 -3.90 1.64 9.92 -1.26 -4.94 116.55 120.56 1mx7 n ASP 47 Ca 0.23 0.45 -0.30 0.00 -0.53 0.00 0.00 54.79 54.64 1mx7 n ASP 47 Cb 0.49 -4.44 -0.15 0.00 -0.64 0.00 0.00 41.12 36.38 1mx7 n ASP 47 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 1mx7 s HIS 48 N -2.71 2.64 -0.37 1.24 2.46 -1.26 -3.34 115.29 113.96 1mx7 s HIS 48 Ca 0.00 -2.17 -0.06 0.00 0.47 0.00 0.00 55.06 53.30 1mx7 s HIS 48 Cb 0.00 -2.07 0.06 0.00 -0.13 0.00 0.00 32.58 30.44 1mx7 s HIS 48 CO 0.00 -0.87 0.15 1.41 -2.47 0.00 0.00 174.74 172.96 1mx7 s MET 49 N 1.30 2.51 0.20 2.88 0.00 -0.58 -0.97 119.30 124.63 1mx7 s MET 49 Ca 0.05 -1.35 -0.14 0.00 0.00 0.00 0.00 55.69 54.24 1mx7 s MET 49 Cb -0.18 -3.53 -0.08 0.00 0.00 0.00 0.00 34.83 31.04 1mx7 s MET 49 CO -0.13 -0.79 0.61 0.42 0.00 0.00 0.00 175.02 175.12 1mx7 s ILE 50 N 1.35 4.80 -0.03 10.11 1.09 -0.99 -1.21 121.20 136.32 1mx7 s ILE 50 Ca 0.01 0.84 0.02 0.00 -1.10 0.00 0.00 60.65 60.41 1mx7 s ILE 50 Cb -0.21 -3.71 0.01 0.00 -1.06 0.00 0.00 42.46 37.49 1mx7 s ILE 50 CO 0.01 0.10 -0.06 -0.63 -0.10 0.00 0.00 174.94 174.26 1mx7 s ILE 51 N -1.63 0.60 -0.10 2.92 1.09 -1.11 -3.41 121.20 119.56 1mx7 s ILE 51 Ca 0.43 -0.22 0.02 0.00 -1.10 0.00 0.00 60.65 59.79 1mx7 s ILE 51 Cb -0.14 -0.58 0.01 0.00 -1.06 0.00 0.00 42.46 40.70 1mx7 s ILE 51 CO 0.20 0.22 -0.17 -0.13 -0.10 0.00 0.00 174.94 174.95 1mx7 s ARG 52 N 0.53 2.40 -0.50 2.79 0.52 -1.08 -2.81 118.95 120.80 1mx7 s ARG 52 Ca -0.07 -0.64 -0.01 0.00 -0.52 0.00 0.00 55.73 54.49 1mx7 s ARG 52 Cb -0.11 -1.94 0.13 0.00 0.52 0.00 0.00 34.95 33.55 1mx7 s ARG 52 CO 0.00 0.02 0.29 0.99 0.02 0.00 0.00 175.30 176.63 1mx7 s THR 53 N 0.73 3.24 -0.71 0.02 2.01 -0.64 -1.63 115.64 118.66 1mx7 s THR 53 Ca -0.12 -2.63 -0.25 0.00 0.31 0.00 0.00 61.69 59.00 1mx7 s THR 53 Cb -0.16 -3.19 0.04 0.00 0.01 0.00 0.00 72.50 69.20 1mx7 s THR 53 CO 0.02 -0.77 1.17 -0.76 -0.69 0.00 0.00 174.62 173.59 1mx7 s LEU 54 N 0.43 3.60 0.00 4.42 1.43 -0.83 -2.83 118.68 124.90 1mx7 s LEU 54 Ca 0.13 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1mx7 s LEU 54 Cb -0.22 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.49 1mx7 s LEU 54 CO -0.04 -1.70 0.00 -1.54 0.23 0.00 0.00 176.35 173.31 1mx7 n SER 55 N 8.78 0.00 0.00 2.29 3.41 -1.26 -4.26 113.62 122.58 1mx7 n SER 55 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1mx7 n SER 55 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1mx7 n SER 55 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1mx7 n THR 56 N 0.00 0.00 0.00 6.66 5.66 -1.26 -4.80 114.28 120.54 1mx7 n THR 56 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1mx7 n THR 56 Cb 0.00 -0.03 0.00 0.00 -1.55 0.00 0.00 70.33 68.75 1mx7 n THR 56 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1mx7 n PHE 57 N -1.38 0.00 -0.03 1.09 3.01 -1.26 -4.60 117.46 114.29 1mx7 n PHE 57 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.46 1mx7 n PHE 57 Cb 0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.41 1mx7 n PHE 57 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1mx7 n ARG 58 N -0.56 1.51 -2.87 -1.08 5.12 -1.26 -5.08 116.66 112.44 1mx7 n ARG 58 Ca 0.00 -0.04 -0.06 0.00 -1.93 0.00 0.00 57.85 55.81 1mx7 n ARG 58 Cb 0.00 -1.25 0.01 0.00 -1.16 0.00 0.00 32.46 30.06 1mx7 n ARG 58 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1mx7 n ASN 59 N -2.14 -7.71 -4.65 0.55 4.13 -1.26 -4.76 115.26 99.42 1mx7 n ASN 59 Ca -0.10 0.88 -0.47 0.00 1.68 0.00 0.00 54.58 56.58 1mx7 n ASN 59 Cb 0.58 -4.78 -0.04 0.00 -1.54 0.00 0.00 39.78 33.99 1mx7 n ASN 59 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1mx7 n TYR 60 N 0.29 2.25 -3.91 3.10 4.19 -1.13 -4.86 117.16 117.09 1mx7 n TYR 60 Ca 0.04 -0.06 -0.29 0.00 3.31 0.00 0.00 57.90 60.90 1mx7 n TYR 60 Cb 0.27 -2.69 -0.16 0.00 0.49 0.00 0.00 39.34 37.26 1mx7 n TYR 60 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 1mx7 s ILE 61 N 5.01 1.22 0.43 2.97 1.01 -1.26 -1.62 121.20 128.96 1mx7 s ILE 61 Ca 0.95 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 60.89 1mx7 s ILE 61 Cb -0.62 -1.41 -0.06 0.00 0.01 0.00 0.00 42.46 40.39 1mx7 s ILE 61 CO 0.48 0.09 0.02 -0.04 0.00 0.00 0.00 174.94 175.49 1mx7 s MET 62 N 1.57 1.98 -0.29 2.79 -1.94 -1.12 -5.07 119.30 117.22 1mx7 s MET 62 Ca -0.00 -2.16 -0.15 0.00 -1.71 0.00 0.00 55.69 51.66 1mx7 s MET 62 Cb -0.16 -1.49 0.11 0.00 2.01 0.00 0.00 34.83 35.30 1mx7 s MET 62 CO -0.08 -0.16 0.78 0.16 -0.01 0.00 0.00 175.02 175.72 1mx7 s ASP 63 N -3.72 -0.82 0.37 3.03 -4.77 -1.26 -2.73 116.67 106.76 1mx7 s ASP 63 Ca 0.27 1.28 0.05 0.00 -3.30 0.00 0.00 52.55 50.86 1mx7 s ASP 63 Cb 0.07 1.44 -0.03 0.00 -1.09 0.00 0.00 42.92 43.31 1mx7 s ASP 63 CO 0.14 -0.20 0.20 -0.36 0.70 0.00 0.00 175.17 175.65 1mx7 s PHE 64 N 1.71 1.75 -0.31 2.11 0.08 -0.35 -4.96 117.98 118.01 1mx7 s PHE 64 Ca -0.09 -1.48 0.00 0.00 0.12 0.00 0.00 56.93 55.48 1mx7 s PHE 64 Cb -0.05 -0.93 0.10 0.00 -0.57 0.00 0.00 43.02 41.56 1mx7 s PHE 64 CO -0.18 -0.59 0.08 -0.65 -0.10 0.00 0.00 175.22 173.78 1mx7 s GLN 65 N -3.59 0.89 0.43 0.44 -0.21 -1.26 -1.53 119.66 114.82 1mx7 s GLN 65 Ca 0.32 -1.22 -0.21 0.00 0.02 0.00 0.00 55.36 54.27 1mx7 s GLN 65 Cb 0.02 -2.25 -0.13 0.00 1.00 0.00 0.00 33.01 31.65 1mx7 s GLN 65 CO 0.21 -0.96 0.35 0.28 -2.12 0.00 0.00 175.29 173.05 1mx7 n VAL 66 N 4.73 1.33 -3.32 1.09 0.31 -1.21 -3.42 118.33 117.83 1mx7 n VAL 66 Ca -0.01 -0.50 -0.15 0.00 -0.01 0.00 0.00 64.34 63.67 1mx7 n VAL 66 Cb 0.42 -0.33 0.04 0.00 -0.91 0.00 0.00 33.84 33.06 1mx7 n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mx7 n GLY 67 N 2.02 -1.16 3.60 2.92 0.00 -1.20 -4.97 105.19 106.41 1mx7 n GLY 67 Ca 0.11 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1mx7 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mx7 s LYS 68 N -4.36 0.23 -0.00 1.61 1.02 -1.21 -5.04 119.74 111.99 1mx7 s LYS 68 Ca 0.29 -0.12 -0.22 0.00 0.02 0.00 0.00 55.97 55.95 1mx7 s LYS 68 Cb -0.06 0.09 -0.05 0.00 -0.52 0.00 0.00 37.83 37.28 1mx7 s LYS 68 CO 0.78 -0.11 0.65 -2.00 -0.92 0.00 0.00 175.35 173.76 1mx7 s GLU 69 N -2.27 4.38 -0.18 1.68 2.12 -1.26 -2.79 118.70 120.38 1mx7 s GLU 69 Ca 0.13 0.84 -0.04 0.00 0.36 0.00 0.00 54.97 56.26 1mx7 s GLU 69 Cb 0.04 -3.37 0.09 0.00 0.26 0.00 0.00 34.13 31.15 1mx7 s GLU 69 CO -0.05 0.29 0.23 0.12 -0.54 0.00 0.00 175.26 175.32 1mx7 s PHE 70 N 0.02 -0.33 0.16 5.30 5.36 0.16 -4.99 117.98 123.67 1mx7 s PHE 70 Ca 0.34 0.41 -0.30 0.00 -0.96 0.00 0.00 56.93 56.42 1mx7 s PHE 70 Cb -0.19 -0.28 -0.07 0.00 -0.34 0.00 0.00 43.02 42.14 1mx7 s PHE 70 CO 0.19 -0.54 1.07 -1.83 -1.46 0.00 0.00 175.22 172.64 1mx7 s GLU 71 N 2.35 4.62 -0.23 10.12 -1.05 -1.26 -3.03 118.70 130.23 1mx7 s GLU 71 Ca 0.06 1.66 0.10 0.00 -0.15 0.00 0.00 54.97 56.64 1mx7 s GLU 71 Cb -0.15 -3.30 -0.21 0.00 -0.44 0.00 0.00 34.13 30.03 1mx7 s GLU 71 CO -0.11 0.12 -0.07 -1.91 0.95 0.00 0.00 175.26 174.23 1mx7 n GLU 72 N 2.44 0.67 0.00 -4.83 2.13 -1.25 -4.97 120.64 114.83 1mx7 n GLU 72 Ca 0.02 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.92 1mx7 n GLU 72 Cb 0.47 -1.52 0.00 0.00 0.27 0.00 0.00 31.44 30.66 1mx7 n GLU 72 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1mx7 n ASP 73 N -3.00 0.00 -2.59 4.31 8.00 -1.26 -4.65 116.55 117.36 1mx7 n ASP 73 Ca -0.39 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 54.91 1mx7 n ASP 73 Cb 1.08 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 42.20 1mx7 n ASP 73 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1mx7 n LEU 74 N 0.00 -2.38 -4.69 0.64 7.94 -1.26 -2.01 117.00 115.25 1mx7 n LEU 74 Ca 0.00 -0.19 -0.43 0.00 -1.11 0.00 0.00 56.01 54.29 1mx7 n LEU 74 Cb 0.00 -2.77 -0.03 0.00 0.53 0.00 0.00 43.42 41.15 1mx7 n LEU 74 CO 0.00 0.09 1.47 1.07 -1.11 0.00 0.00 177.39 178.91 1mx7 n THR 75 N -4.30 0.36 -0.44 1.96 5.66 -1.26 -2.24 114.28 114.03 1mx7 n THR 75 Ca -0.14 -0.07 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 1mx7 n THR 75 Cb 0.63 -2.10 0.00 0.00 -1.55 0.00 0.00 70.33 67.31 1mx7 n THR 75 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1mx7 n GLY 76 N 4.22 -3.63 0.80 1.09 0.00 -1.26 -4.81 105.19 101.59 1mx7 n GLY 76 Ca 0.18 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1mx7 n GLY 76 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1mx7 n ILE 77 N -0.50 0.00 0.00 -0.61 5.41 -1.26 -4.37 119.36 118.03 1mx7 n ILE 77 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1mx7 n ILE 77 Cb 0.00 -0.20 0.00 0.00 -0.71 0.00 0.00 39.64 38.73 1mx7 n ILE 77 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1mx7 n ASP 78 N 0.80 0.00 -3.80 4.38 2.03 -1.26 -4.98 116.55 113.72 1mx7 n ASP 78 Ca 0.00 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.05 1mx7 n ASP 78 Cb 0.01 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.42 1mx7 n ASP 78 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1mx7 n ASP 79 N 0.00 -1.99 0.03 1.67 9.92 -0.95 -4.96 116.55 120.28 1mx7 n ASP 79 Ca 0.00 -0.95 -0.02 0.00 -0.53 0.00 0.00 54.79 53.29 1mx7 n ASP 79 Cb 0.00 -3.46 -0.01 0.00 -0.64 0.00 0.00 41.12 37.02 1mx7 n ASP 79 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1mx7 h ARG 80 N -1.85 -0.10 -0.64 -1.24 2.43 -1.70 -3.48 114.38 107.80 1mx7 h ARG 80 Ca -0.63 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.54 1mx7 h ARG 80 Cb 1.37 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 1mx7 h ARG 80 CO 0.57 -0.07 0.00 1.17 -1.51 0.00 0.00 179.97 180.13 1mx7 n LYS 81 N -2.72 0.00 -4.08 0.20 0.00 -0.85 -5.05 118.16 105.66 1mx7 n LYS 81 Ca -0.01 0.29 -0.11 0.00 0.00 0.00 0.00 58.31 58.47 1mx7 n LYS 81 Cb 0.04 -0.04 -0.07 0.00 0.00 0.00 0.00 35.03 34.97 1mx7 n LYS 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1mx7 n MET 83 N -0.37 2.51 -2.59 0.00 2.81 -1.26 -3.76 117.12 114.45 1mx7 n MET 83 Ca 0.00 -4.64 -0.40 0.00 -1.81 0.00 0.00 57.70 50.84 1mx7 n MET 83 Cb 0.63 -2.28 -0.05 0.00 -0.71 0.00 0.00 33.22 30.82 1mx7 n MET 83 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1mx7 s THR 84 N -2.33 3.77 -0.08 2.03 2.01 -1.17 -4.46 115.64 115.41 1mx7 s THR 84 Ca 0.37 1.75 0.03 0.00 0.31 0.00 0.00 61.69 64.15 1mx7 s THR 84 Cb 0.11 -4.12 0.01 0.00 0.01 0.00 0.00 72.50 68.52 1mx7 s THR 84 CO -0.03 0.41 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.24 1mx7 s THR 85 N -1.07 1.53 0.23 -0.82 2.01 -1.14 0.41 115.64 116.79 1mx7 s THR 85 Ca 0.44 -0.70 0.05 0.00 0.31 0.00 0.00 61.69 61.78 1mx7 s THR 85 Cb -0.29 -1.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 1mx7 s THR 85 CO 0.37 0.44 0.30 0.54 -0.69 0.00 0.00 174.62 175.58 1mx7 s VAL 86 N 0.60 5.01 0.19 3.82 0.11 -1.12 -3.36 120.40 125.65 1mx7 s VAL 86 Ca -0.15 -1.07 -0.07 0.00 -2.93 0.00 0.00 61.98 57.76 1mx7 s VAL 86 Cb -0.16 -3.70 -0.02 0.00 -1.53 0.00 0.00 36.38 30.97 1mx7 s VAL 86 CO 0.05 -0.30 0.27 -0.55 -3.33 0.00 0.00 175.10 171.24 1mx7 s SER 87 N -3.82 0.06 -0.13 3.54 0.15 -1.15 -3.21 113.70 109.15 1mx7 s SER 87 Ca 0.34 -1.05 0.01 0.00 0.70 0.00 0.00 55.95 55.94 1mx7 s SER 87 Cb -0.09 0.45 0.02 0.00 -1.71 0.00 0.00 66.02 64.69 1mx7 s SER 87 CO 0.28 -0.93 -0.15 -1.66 1.20 0.00 0.00 173.24 171.97 1mx7 s TRP 88 N -4.04 2.15 0.68 3.44 -2.14 -1.26 -3.58 118.94 114.19 1mx7 s TRP 88 Ca 0.25 -1.12 -0.03 0.00 2.66 0.00 0.00 56.10 57.85 1mx7 s TRP 88 Cb 0.04 -1.55 0.08 0.00 -3.10 0.00 0.00 33.47 28.93 1mx7 s TRP 88 CO 0.06 -0.59 0.96 -0.51 -2.66 0.00 0.00 176.95 174.21 1mx7 s ASP 89 N 1.22 4.71 0.45 -2.66 1.01 -1.07 -4.94 116.67 115.38 1mx7 s ASP 89 Ca -0.01 0.10 0.19 0.00 0.71 0.00 0.00 52.55 53.54 1mx7 s ASP 89 Cb -0.14 -0.70 1.06 0.00 1.01 0.00 0.00 42.92 44.15 1mx7 s ASP 89 CO -0.06 -1.61 1.95 1.23 0.21 0.00 0.00 175.17 176.88 1mx7 h GLY 90 N -0.46 0.00 -2.01 0.21 0.00 -2.04 -3.30 103.07 95.47 1mx7 h GLY 90 Ca -0.42 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 1mx7 h GLY 90 CO 0.51 0.00 -0.63 2.09 0.00 0.00 0.00 176.54 178.51 1mx7 n ASP 91 N -3.95 0.26 0.00 0.19 5.75 -1.26 -5.11 116.55 112.42 1mx7 n ASP 91 Ca -0.02 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 1mx7 n ASP 91 Cb 0.31 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 1mx7 n ASP 91 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1mx7 n LYS 92 N 0.21 0.00 -3.64 0.11 5.02 -1.24 -4.34 118.16 114.27 1mx7 n LYS 92 Ca -0.02 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.18 1mx7 n LYS 92 Cb 0.87 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.81 1mx7 n LYS 92 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1mx7 s LEU 93 N 0.00 -0.60 0.11 -0.35 2.96 -0.97 -2.60 118.68 117.22 1mx7 s LEU 93 Ca 0.00 1.09 0.04 0.00 -0.22 0.00 0.00 54.13 55.04 1mx7 s LEU 93 Cb 0.00 2.06 -0.04 0.00 0.50 0.00 0.00 46.19 48.71 1mx7 s LEU 93 CO 0.00 -0.18 -0.10 -1.10 -1.32 0.00 0.00 176.35 173.64 1mx7 s GLN 94 N 0.70 0.92 0.03 1.98 -0.21 -1.23 -1.34 119.66 120.50 1mx7 s GLN 94 Ca -0.02 -1.25 0.03 0.00 0.02 0.00 0.00 55.36 54.14 1mx7 s GLN 94 Cb -0.05 -0.58 -0.02 0.00 1.00 0.00 0.00 33.01 33.37 1mx7 s GLN 94 CO -0.08 0.08 -0.09 0.00 -2.12 0.00 0.00 175.29 173.08 1mx7 s VAL 96 N -0.79 0.31 0.02 0.00 1.01 -1.21 -3.96 120.40 115.77 1mx7 s VAL 96 Ca -0.02 -1.29 -0.12 0.00 0.00 0.00 0.00 61.98 60.55 1mx7 s VAL 96 Cb -0.07 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.51 1mx7 s VAL 96 CO 0.00 -0.63 0.26 -1.10 0.00 0.00 0.00 175.10 173.63 1mx7 s GLN 97 N -2.36 0.70 -0.69 2.72 -0.21 -1.26 -2.91 119.66 115.66 1mx7 s GLN 97 Ca -0.06 -0.42 0.03 0.00 0.02 0.00 0.00 55.36 54.93 1mx7 s GLN 97 Cb -0.04 0.30 0.17 0.00 1.00 0.00 0.00 33.01 34.44 1mx7 s GLN 97 CO -0.03 -0.21 0.48 0.15 -2.12 0.00 0.00 175.29 173.57 1mx7 s LYS 98 N -2.04 2.51 -0.42 2.91 1.02 -1.26 -4.94 119.74 117.52 1mx7 s LYS 98 Ca -0.09 -3.09 0.05 0.00 0.02 0.00 0.00 55.97 52.86 1mx7 s LYS 98 Cb -0.03 -3.52 0.17 0.00 -0.52 0.00 0.00 37.83 33.93 1mx7 s LYS 98 CO -0.00 -1.23 0.51 0.20 -0.92 0.00 0.00 175.35 173.91 1mx7 s GLY 99 N -0.75 -0.49 0.00 -3.33 0.00 -1.26 -4.46 107.32 97.03 1mx7 s GLY 99 Ca 0.23 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.25 1mx7 s GLY 99 CO -0.11 3.12 0.00 1.18 0.00 0.00 0.00 173.10 177.29 1mx7 n GLU 100 N 3.88 0.00 -1.29 2.90 -0.58 -1.26 -4.99 120.64 119.31 1mx7 n GLU 100 Ca 0.15 0.00 0.16 0.00 -0.42 0.00 0.00 57.16 57.05 1mx7 n GLU 100 Cb 0.51 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.31 1mx7 n GLU 100 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1mx7 n LYS 101 N 0.00 -2.86 -0.19 3.49 4.01 -1.26 -4.68 118.16 116.68 1mx7 n LYS 101 Ca 0.00 2.21 0.12 0.00 -0.51 0.00 0.00 58.31 60.13 1mx7 n LYS 101 Cb 0.00 -3.38 0.21 0.00 -0.51 0.00 0.00 35.03 31.35 1mx7 n LYS 101 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1mx7 n GLU 102 N -4.11 2.52 0.00 1.97 -0.58 -1.26 -4.82 120.64 114.35 1mx7 n GLU 102 Ca -0.05 -2.29 0.00 0.00 -0.42 0.00 0.00 57.16 54.39 1mx7 n GLU 102 Cb 0.60 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 1mx7 n GLU 102 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mx7 n GLY 103 N 1.51 -1.46 3.91 0.62 0.00 -1.26 -4.79 105.19 103.72 1mx7 n GLY 103 Ca 0.19 0.61 -0.27 0.00 0.00 0.00 0.00 46.02 46.55 1mx7 n GLY 103 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mx7 s ARG 104 N 0.00 3.30 0.00 1.61 3.00 -1.26 -2.63 118.95 122.97 1mx7 s ARG 104 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 55.73 55.87 1mx7 s ARG 104 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 34.95 32.63 1mx7 s ARG 104 CO 0.00 -0.41 0.00 0.41 0.00 0.00 0.00 175.30 175.30 1mx7 n GLY 105 N -2.41 3.79 3.46 -3.53 0.00 -1.25 -4.69 105.19 100.56 1mx7 n GLY 105 Ca 0.02 -1.67 -0.27 0.00 0.00 0.00 0.00 46.02 44.10 1mx7 n GLY 105 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1mx7 s TRP 106 N -2.31 2.37 -0.01 1.61 0.51 -1.25 -2.74 118.94 117.13 1mx7 s TRP 106 Ca 0.00 -0.33 0.03 0.00 -2.12 0.00 0.00 56.10 53.69 1mx7 s TRP 106 Cb 0.00 -1.16 -0.01 0.00 -0.81 0.00 0.00 33.47 31.49 1mx7 s TRP 106 CO 0.00 0.52 -0.11 0.99 -0.51 0.00 0.00 176.95 177.84 1mx7 s THR 107 N -1.73 0.83 -0.13 2.01 2.01 0.20 -2.43 115.64 116.40 1mx7 s THR 107 Ca 0.22 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.80 1mx7 s THR 107 Cb -0.08 -0.70 0.01 0.00 0.01 0.00 0.00 72.50 71.74 1mx7 s THR 107 CO 0.11 0.24 -0.21 -1.58 -0.69 0.00 0.00 174.62 172.49 1mx7 s GLN 108 N -0.23 2.88 -0.02 4.92 0.74 -0.45 -1.37 119.66 126.13 1mx7 s GLN 108 Ca 0.04 -0.80 0.03 0.00 0.05 0.00 0.00 55.36 54.67 1mx7 s GLN 108 Cb -0.04 -2.33 0.00 0.00 1.10 0.00 0.00 33.01 31.74 1mx7 s GLN 108 CO -0.00 -0.01 -0.09 -0.46 -0.55 0.00 0.00 175.29 174.17 1mx7 s TRP 109 N 0.82 0.93 -0.05 1.67 -0.11 -1.14 -2.29 118.94 118.77 1mx7 s TRP 109 Ca -0.08 -0.22 0.02 0.00 1.22 0.00 0.00 56.10 57.05 1mx7 s TRP 109 Cb -0.16 -0.65 -0.03 0.00 -1.50 0.00 0.00 33.47 31.14 1mx7 s TRP 109 CO -0.01 -0.08 -0.08 0.42 -4.62 0.00 0.00 176.95 172.58 1mx7 s ILE 110 N 0.07 3.57 0.38 5.86 1.01 -1.26 -0.09 121.20 130.73 1mx7 s ILE 110 Ca -0.01 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 60.11 1mx7 s ILE 110 Cb -0.07 -2.47 -0.07 0.00 0.01 0.00 0.00 42.46 39.86 1mx7 s ILE 110 CO 0.00 0.56 0.03 -1.61 0.00 0.00 0.00 174.94 173.92 1mx7 s GLU 111 N -0.92 1.83 0.00 2.79 0.41 0.83 -4.93 118.70 118.72 1mx7 s GLU 111 Ca 0.13 -2.04 0.00 0.00 -0.41 0.00 0.00 54.97 52.65 1mx7 s GLU 111 Cb -0.11 -1.27 0.00 0.00 -1.78 0.00 0.00 34.13 30.97 1mx7 s GLU 111 CO 0.02 -0.13 0.35 0.41 -0.49 0.00 0.00 175.26 175.42 1mx7 n GLY 112 N -0.86 -2.57 0.41 -1.39 0.00 -1.26 -3.13 105.19 96.39 1mx7 n GLY 112 Ca -0.04 0.55 0.06 0.00 0.00 0.00 0.00 46.02 46.59 1mx7 n GLY 112 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mx7 n ASP 113 N -0.85 2.83 -4.29 1.61 9.92 -1.26 -5.02 116.55 119.50 1mx7 n ASP 113 Ca 0.00 -2.58 -0.20 0.00 -0.53 0.00 0.00 54.79 51.47 1mx7 n ASP 113 Cb 0.00 -0.32 -0.11 0.00 -0.64 0.00 0.00 41.12 40.05 1mx7 n ASP 113 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1mx7 s GLU 114 N -2.03 1.15 -0.15 -1.24 2.02 -1.18 0.09 118.70 117.36 1mx7 s GLU 114 Ca 0.26 -1.31 -0.01 0.00 0.02 0.00 0.00 54.97 53.92 1mx7 s GLU 114 Cb 0.20 -1.15 -0.01 0.00 0.10 0.00 0.00 34.13 33.26 1mx7 s GLU 114 CO 0.07 0.23 -0.11 -1.17 0.02 0.00 0.00 175.26 174.30 1mx7 s LEU 115 N -2.51 2.78 -0.90 1.80 1.98 -1.08 -0.12 118.68 120.64 1mx7 s LEU 115 Ca 0.12 -0.33 -0.01 0.00 -2.89 0.00 0.00 54.13 51.01 1mx7 s LEU 115 Cb -0.06 -1.65 0.22 0.00 0.66 0.00 0.00 46.19 45.37 1mx7 s LEU 115 CO 0.05 0.12 0.79 1.57 -1.89 0.00 0.00 176.35 176.99 1mx7 n HIS 116 N 3.83 4.16 -2.82 5.38 -0.00 0.87 -1.47 115.22 125.16 1mx7 n HIS 116 Ca -0.18 -4.11 -0.34 0.00 -0.00 0.00 0.00 57.72 53.08 1mx7 n HIS 116 Cb 0.52 -1.11 -0.07 0.00 -0.00 0.00 0.00 29.99 29.33 1mx7 n HIS 116 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1mx7 s LEU 117 N -1.45 4.07 -0.05 0.27 2.96 -1.09 -2.89 118.68 120.51 1mx7 s LEU 117 Ca 0.28 1.72 -0.03 0.00 -0.22 0.00 0.00 54.13 55.88 1mx7 s LEU 117 Cb -0.06 -4.35 0.02 0.00 0.50 0.00 0.00 46.19 42.29 1mx7 s LEU 117 CO -0.12 -0.26 0.11 -1.61 -1.32 0.00 0.00 176.35 173.15 1mx7 s GLU 118 N -2.82 0.10 0.03 1.98 2.02 -0.47 -2.74 118.70 116.81 1mx7 s GLU 118 Ca 0.58 0.22 0.01 0.00 0.02 0.00 0.00 54.97 55.79 1mx7 s GLU 118 Cb -0.12 -0.03 -0.02 0.00 0.10 0.00 0.00 34.13 34.05 1mx7 s GLU 118 CO 0.16 -0.07 -0.05 -1.64 0.02 0.00 0.00 175.26 173.69 1mx7 s MET 119 N 0.46 0.43 0.16 1.61 -1.94 -0.20 0.62 119.30 120.43 1mx7 s MET 119 Ca -0.03 -0.73 -0.05 0.00 -1.71 0.00 0.00 55.69 53.17 1mx7 s MET 119 Cb -0.05 -0.03 -0.03 0.00 2.01 0.00 0.00 34.83 36.73 1mx7 s MET 119 CO -0.02 -0.02 0.18 1.03 -0.01 0.00 0.00 175.02 176.18 1mx7 s ARG 120 N -1.76 1.10 0.00 2.03 0.52 -1.11 -1.81 118.95 117.93 1mx7 s ARG 120 Ca -0.11 -1.36 0.00 0.00 -0.52 0.00 0.00 55.73 53.73 1mx7 s ARG 120 Cb -0.08 0.31 0.00 0.00 0.52 0.00 0.00 34.95 35.70 1mx7 s ARG 120 CO -0.01 -0.37 0.00 0.00 0.02 0.00 0.00 175.30 174.94 1mx7 n ALA 121 N -0.19 0.00 -4.01 2.13 0.00 -0.47 -3.76 120.51 114.22 1mx7 n ALA 121 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.08 1mx7 n ALA 121 Cb 0.64 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.09 1mx7 n ALA 121 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1mx7 n GLU 122 N 0.00 -4.62 -0.21 0.00 2.13 -1.26 -1.26 120.64 115.43 1mx7 n GLU 122 Ca 0.00 0.52 0.00 0.00 0.66 0.00 0.00 57.16 58.34 1mx7 n GLU 122 Cb 0.00 -5.30 0.00 0.00 0.27 0.00 0.00 31.44 26.41 1mx7 n GLU 122 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1mx7 n GLY 123 N -1.61 1.99 3.69 8.31 0.00 -1.26 -4.98 105.19 111.33 1mx7 n GLY 123 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1mx7 n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mx7 s VAL 124 N -3.00 5.13 -0.31 1.61 1.01 -0.39 -5.07 120.40 119.39 1mx7 s VAL 124 Ca 0.00 0.99 -0.04 0.00 0.00 0.00 0.00 61.98 62.93 1mx7 s VAL 124 Cb 0.00 -3.85 0.04 0.00 0.00 0.00 0.00 36.38 32.57 1mx7 s VAL 124 CO 0.00 0.24 0.04 -0.89 0.00 0.00 0.00 175.10 174.49 1mx7 s THR 125 N 1.19 3.42 0.20 3.92 2.01 -1.26 -1.37 115.64 123.75 1mx7 s THR 125 Ca 0.26 -1.14 0.07 0.00 0.31 0.00 0.00 61.69 61.19 1mx7 s THR 125 Cb -0.15 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 1mx7 s THR 125 CO 0.10 -0.07 0.04 0.00 -0.69 0.00 0.00 174.62 174.00 1mx7 s LYS 127 N -3.22 1.31 -0.01 0.00 -2.85 -1.13 -1.04 119.74 112.80 1mx7 s LYS 127 Ca 0.29 -0.83 -0.15 0.00 -1.00 0.00 0.00 55.97 54.28 1mx7 s LYS 127 Cb -0.09 0.37 0.02 0.00 -2.06 0.00 0.00 37.83 36.08 1mx7 s LYS 127 CO 0.20 -0.61 0.32 -0.65 0.10 0.00 0.00 175.35 174.71 1mx7 s GLN 128 N -2.28 0.69 -0.27 1.78 -0.21 -1.11 -1.60 119.66 116.67 1mx7 s GLN 128 Ca 0.21 -0.21 -0.04 0.00 0.02 0.00 0.00 55.36 55.33 1mx7 s GLN 128 Cb -0.02 0.31 0.01 0.00 1.00 0.00 0.00 33.01 34.30 1mx7 s GLN 128 CO 0.05 -0.19 0.01 0.08 -2.12 0.00 0.00 175.29 173.12 1mx7 s VAL 129 N -1.43 3.49 0.30 1.09 1.01 0.05 -2.65 120.40 122.25 1mx7 s VAL 129 Ca -0.13 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.15 1mx7 s VAL 129 Cb -0.05 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1mx7 s VAL 129 CO 0.04 0.17 0.12 -0.36 0.00 0.00 0.00 175.10 175.07 1mx7 s PHE 130 N 1.43 2.80 -0.16 5.22 0.08 -0.54 -0.01 117.98 126.80 1mx7 s PHE 130 Ca 0.02 -0.27 -0.01 0.00 0.12 0.00 0.00 56.93 56.79 1mx7 s PHE 130 Cb -0.17 -1.47 0.04 0.00 -0.57 0.00 0.00 43.02 40.85 1mx7 s PHE 130 CO -0.01 0.44 -0.05 0.21 -0.10 0.00 0.00 175.22 175.72 1mx7 s LYS 131 N -3.81 1.38 -0.26 0.44 2.36 -0.87 -2.64 119.74 116.34 1mx7 s LYS 131 Ca 0.35 -0.49 -0.29 0.00 -2.55 0.00 0.00 55.97 52.99 1mx7 s LYS 131 Cb -0.05 -1.98 -0.00 0.00 -1.05 0.00 0.00 37.83 34.75 1mx7 s LYS 131 CO 0.23 -0.43 1.25 0.21 1.55 0.00 0.00 175.35 178.15 1mx7 s LYS 132 N 1.65 4.04 0.21 4.03 2.20 0.11 -2.26 119.74 129.72 1mx7 s LYS 132 Ca 0.01 1.34 -0.04 0.00 -0.36 0.00 0.00 55.97 56.91 1mx7 s LYS 132 Cb -0.15 -3.82 0.16 0.00 -1.51 0.00 0.00 37.83 32.51 1mx7 s LYS 132 CO -0.08 -0.96 1.59 -0.24 -0.36 0.00 0.00 175.35 175.31 1mx7 h VAL 133 N 5.78 1.28 0.00 4.02 3.04 -1.82 -3.46 116.25 125.08 1mx7 h VAL 133 Ca -0.25 -1.44 0.00 0.00 -1.01 0.00 0.00 66.70 64.00 1mx7 h VAL 133 Cb 1.09 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 1mx7 h VAL 133 CO 1.01 0.47 0.00 1.57 -1.01 0.00 0.00 177.57 179.62