#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 0.00 -0.10 0.52 3.14 -1.26 -5.09 118.33 115.54 1mx7 n VAL 2 Ca 0.00 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.26 1mx7 n VAL 2 Cb 0.00 -0.29 -0.14 0.00 -1.06 0.00 0.00 33.84 32.36 1mx7 n VAL 2 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1mx7 n ASP 3 N 0.00 1.00 -0.01 6.55 8.00 -1.26 -4.72 116.55 126.11 1mx7 n ASP 3 Ca 0.00 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1mx7 n ASP 3 Cb 0.00 0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 1mx7 n ASP 3 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1mx7 n PHE 4 N -2.89 0.00 -1.49 1.24 3.72 -1.26 -4.40 117.46 112.38 1mx7 n PHE 4 Ca -0.35 0.03 -0.49 0.00 -0.05 0.00 0.00 57.45 56.59 1mx7 n PHE 4 Cb 1.06 -0.51 -0.06 0.00 -0.94 0.00 0.00 39.48 39.02 1mx7 n PHE 4 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1mx7 n ASN 5 N -4.04 2.44 -3.87 4.37 6.94 -1.26 -4.82 115.26 115.01 1mx7 n ASN 5 Ca 0.00 0.39 -0.09 0.00 -0.02 0.00 0.00 54.58 54.86 1mx7 n ASN 5 Cb 0.01 -1.33 -0.04 0.00 -2.36 0.00 0.00 39.78 36.06 1mx7 n ASN 5 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1mx7 s GLY 6 N 7.37 0.54 -0.97 4.83 0.00 -0.11 -4.87 107.32 114.10 1mx7 s GLY 6 Ca 1.07 -0.86 -0.16 0.00 0.00 0.00 0.00 44.72 44.76 1mx7 s GLY 6 CO 0.46 -0.59 1.10 -0.19 0.00 0.00 0.00 173.10 173.89 1mx7 s TYR 7 N -3.85 3.42 -0.40 1.90 1.51 -1.26 0.17 117.35 118.84 1mx7 s TYR 7 Ca 0.22 -1.76 -0.22 0.00 -1.01 0.00 0.00 57.07 54.30 1mx7 s TYR 7 Cb -0.01 -4.15 0.01 0.00 -0.11 0.00 0.00 41.96 37.70 1mx7 s TYR 7 CO 0.10 -1.32 0.71 -1.58 -1.11 0.00 0.00 175.55 172.35 1mx7 s TRP 8 N 1.62 3.09 -0.10 2.71 0.51 -0.28 -3.24 118.94 123.25 1mx7 s TRP 8 Ca 0.31 0.28 -0.10 0.00 -2.12 0.00 0.00 56.10 54.48 1mx7 s TRP 8 Cb -0.06 -3.37 -0.05 0.00 -0.81 0.00 0.00 33.47 29.18 1mx7 s TRP 8 CO -0.08 -0.79 0.22 -1.59 -0.51 0.00 0.00 176.95 174.21 1mx7 s LYS 9 N 2.97 3.67 0.26 4.98 -2.85 -1.08 -2.40 119.74 125.29 1mx7 s LYS 9 Ca 0.27 0.02 -0.11 0.00 -1.00 0.00 0.00 55.97 55.15 1mx7 s LYS 9 Cb -0.13 -3.23 -0.08 0.00 -2.06 0.00 0.00 37.83 32.33 1mx7 s LYS 9 CO 0.18 0.69 0.61 1.41 0.10 0.00 0.00 175.35 178.34 1mx7 s MET 10 N -0.84 3.86 -0.04 1.78 1.75 -1.26 -1.38 119.30 123.16 1mx7 s MET 10 Ca 0.17 0.39 -0.05 0.00 -1.25 0.00 0.00 55.69 54.94 1mx7 s MET 10 Cb -0.13 -2.58 -0.03 0.00 2.84 0.00 0.00 34.83 34.93 1mx7 s MET 10 CO 0.06 0.26 -0.12 -0.11 -0.65 0.00 0.00 175.02 174.46 1mx7 n LEU 11 N -0.25 1.03 -3.64 4.11 0.00 -0.76 -4.94 117.00 112.56 1mx7 n LEU 11 Ca 0.01 0.16 -0.05 0.00 0.00 0.00 0.00 56.01 56.13 1mx7 n LEU 11 Cb 0.53 -0.38 -0.07 0.00 0.00 0.00 0.00 43.42 43.50 1mx7 n LEU 11 CO 0.44 -0.21 0.66 -0.94 0.00 0.00 0.00 177.39 177.34 1mx7 s SER 12 N -5.90 -0.53 0.53 1.96 1.04 -1.21 -5.01 113.70 104.57 1mx7 s SER 12 Ca -0.11 0.90 -0.02 0.00 0.48 0.00 0.00 55.95 57.20 1mx7 s SER 12 Cb 0.03 1.13 0.01 0.00 0.10 0.00 0.00 66.02 67.29 1mx7 s SER 12 CO 0.15 -0.15 0.79 0.20 0.98 0.00 0.00 173.24 175.22 1mx7 s ASN 13 N 1.03 5.59 0.10 7.02 -0.87 -1.26 -1.75 114.94 124.79 1mx7 s ASN 13 Ca -0.05 0.39 0.00 0.00 -1.57 0.00 0.00 52.86 51.62 1mx7 s ASN 13 Cb -0.04 -1.45 0.00 0.00 -0.02 0.00 0.00 41.25 39.74 1mx7 s ASN 13 CO -0.13 -0.96 0.00 -0.62 -2.57 0.00 0.00 177.10 172.82 1mx7 n GLU 14 N -2.35 0.00 -2.33 -0.60 -0.58 -1.11 -4.89 120.64 108.78 1mx7 n GLU 14 Ca 0.04 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.46 1mx7 n GLU 14 Cb 0.58 -0.40 0.01 0.00 -0.57 0.00 0.00 31.44 31.07 1mx7 n GLU 14 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1mx7 n ASN 15 N -3.33 5.76 0.12 1.62 4.13 -1.26 -4.74 115.26 117.55 1mx7 n ASN 15 Ca 0.00 -3.76 -0.02 0.00 1.68 0.00 0.00 54.58 52.49 1mx7 n ASN 15 Cb 0.11 -0.70 0.07 0.00 -1.54 0.00 0.00 39.78 37.72 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 2.82 0.00 0.16 3.10 3.57 -1.92 -2.13 116.94 122.54 1mx7 h PHE 16 Ca 0.39 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.64 1mx7 h PHE 16 Cb 0.56 0.00 0.03 0.00 2.79 0.00 0.00 35.95 39.33 1mx7 h PHE 16 CO 0.96 0.70 -1.07 1.49 -2.23 0.00 0.00 178.31 178.16 1mx7 h GLU 17 N 0.00 0.44 0.00 1.11 4.81 -1.94 -3.17 114.58 115.83 1mx7 h GLU 17 Ca -0.01 -0.69 -0.01 0.00 -0.13 0.00 0.00 59.36 58.52 1mx7 h GLU 17 Cb 1.35 0.25 -0.00 0.00 0.63 0.00 0.00 28.75 30.98 1mx7 h GLU 17 CO 0.09 1.32 -0.04 0.93 -0.73 0.00 0.00 179.01 180.58 1mx7 h GLU 18 N -0.08 0.00 -0.55 1.92 5.08 -1.93 -2.62 114.58 116.40 1mx7 h GLU 18 Ca -0.18 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.07 1mx7 h GLU 18 Cb 1.82 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.05 1mx7 h GLU 18 CO 0.20 0.04 -0.10 -0.92 -1.00 0.00 0.00 179.01 177.23 1mx7 h TYR 19 N 0.00 1.16 -0.04 4.33 3.20 -1.43 0.11 116.97 124.30 1mx7 h TYR 19 Ca -0.00 -0.24 -0.25 0.00 3.14 0.00 0.00 58.73 61.38 1mx7 h TYR 19 Cb 0.77 -0.29 0.02 0.00 1.54 0.00 0.00 36.73 38.77 1mx7 h TYR 19 CO 0.00 1.06 -0.95 -0.07 -1.64 0.00 0.00 178.16 176.56 1mx7 h LEU 20 N 0.92 0.90 -1.32 2.82 3.38 -1.50 -2.98 115.31 117.53 1mx7 h LEU 20 Ca 0.14 -0.71 -0.06 0.00 0.09 0.00 0.00 57.88 57.34 1mx7 h LEU 20 Cb 0.67 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1mx7 h LEU 20 CO 0.05 1.49 -0.30 -0.09 0.09 0.00 0.00 178.44 179.67 1mx7 h ARG 21 N 0.40 0.00 0.00 1.13 2.43 -1.40 0.25 114.38 117.19 1mx7 h ARG 21 Ca -0.11 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.96 1mx7 h ARG 21 Cb 1.61 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.14 1mx7 h ARG 21 CO 0.19 0.30 -0.46 0.00 -1.51 0.00 0.00 179.97 178.49 1mx7 h ALA 22 N 1.70 0.87 0.00 2.80 0.00 -0.72 -2.98 119.26 120.93 1mx7 h ALA 22 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1mx7 h ALA 22 Cb 0.65 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1mx7 h ALA 22 CO 0.04 0.58 -1.46 1.28 0.00 0.00 0.00 179.25 179.69 1mx7 n LEU 23 N -3.46 0.49 -3.07 0.00 4.77 -0.88 -4.69 117.00 110.16 1mx7 n LEU 23 Ca 0.00 -0.20 -0.11 0.00 -0.03 0.00 0.00 56.01 55.67 1mx7 n LEU 23 Cb 0.60 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.73 1mx7 n LEU 23 CO 0.39 0.10 0.08 0.47 -1.33 0.00 0.00 177.39 177.10 1mx7 n ASP 24 N -1.92 -6.46 -1.75 -1.43 8.00 0.83 -5.07 116.55 108.76 1mx7 n ASP 24 Ca 0.00 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 54.95 1mx7 n ASP 24 Cb 0.46 -4.85 0.00 0.00 -0.02 0.00 0.00 41.12 36.71 1mx7 n ASP 24 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1mx7 n VAL 25 N -2.85 0.00 -3.39 2.53 0.31 -1.04 -5.03 118.33 108.86 1mx7 n VAL 25 Ca -0.05 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.06 1mx7 n VAL 25 Cb 0.59 -0.02 -0.01 0.00 -0.91 0.00 0.00 33.84 33.50 1mx7 n VAL 25 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1mx7 s ASN 26 N -1.00 6.10 0.15 4.52 0.02 -1.26 -5.00 114.94 118.47 1mx7 s ASN 26 Ca 0.00 0.20 -0.10 0.00 -1.02 0.00 0.00 52.86 51.94 1mx7 s ASN 26 Cb 0.00 -1.69 -0.02 0.00 0.02 0.00 0.00 41.25 39.56 1mx7 s ASN 26 CO 0.00 -0.40 1.46 0.58 0.02 0.00 0.00 177.10 178.77 1mx7 h VAL 27 N 0.76 1.28 0.00 1.60 2.07 -2.00 -3.11 116.25 116.84 1mx7 h VAL 27 Ca -0.48 -1.64 -0.12 0.00 0.82 0.00 0.00 66.70 65.28 1mx7 h VAL 27 Cb 1.24 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 1mx7 h VAL 27 CO 0.58 0.54 -0.58 0.00 0.02 0.00 0.00 177.57 178.13 1mx7 h ALA 28 N 0.79 1.05 0.00 1.67 0.00 -2.01 -3.13 119.26 117.62 1mx7 h ALA 28 Ca 0.04 -0.53 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 1mx7 h ALA 28 Cb 1.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1mx7 h ALA 28 CO 0.10 0.72 -0.73 1.25 0.00 0.00 0.00 179.25 180.60 1mx7 h LEU 29 N 0.00 0.00 -0.61 0.00 6.46 -1.98 -3.11 115.31 116.08 1mx7 h LEU 29 Ca -0.01 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.60 1mx7 h LEU 29 Cb 1.02 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.94 1mx7 h LEU 29 CO 0.08 0.73 -0.61 -0.09 -0.62 0.00 0.00 178.44 177.92 1mx7 h ARG 30 N 0.00 0.29 -0.20 1.25 2.43 -1.49 -0.76 114.38 115.90 1mx7 h ARG 30 Ca -0.01 -0.20 -0.17 0.00 -0.81 0.00 0.00 59.98 58.78 1mx7 h ARG 30 Cb 1.35 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.93 1mx7 h ARG 30 CO 0.09 0.82 -0.56 -0.22 -1.51 0.00 0.00 179.97 178.59 1mx7 h LYS 31 N 0.22 0.73 0.33 0.20 3.64 -1.57 -2.90 116.57 117.22 1mx7 h LYS 31 Ca -0.01 -0.52 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 1mx7 h LYS 31 Cb 1.13 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1mx7 h LYS 31 CO 0.10 1.14 -0.16 0.82 -2.27 0.00 0.00 179.45 179.08 1mx7 h ILE 32 N 0.45 0.00 -0.93 2.00 1.08 -1.54 -3.29 117.51 115.28 1mx7 h ILE 32 Ca -0.01 -0.68 0.27 0.00 -0.39 0.00 0.00 64.86 64.05 1mx7 h ILE 32 Cb 1.17 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.89 1mx7 h ILE 32 CO 0.12 0.00 0.89 0.00 -0.69 0.00 0.00 178.15 178.47 1mx7 h ALA 33 N -1.12 2.78 0.00 1.87 0.00 -1.26 0.57 119.26 122.09 1mx7 h ALA 33 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1mx7 h ALA 33 Cb 0.34 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1mx7 h ALA 33 CO 0.07 -1.36 -0.17 -0.91 0.00 0.00 0.00 179.25 176.88 1mx7 h ASN 34 N 0.00 0.00 0.98 0.00 -0.26 -1.57 -3.20 115.58 111.53 1mx7 h ASN 34 Ca 0.44 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 56.15 1mx7 h ASN 34 Cb 2.21 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.47 1mx7 h ASN 34 CO -0.00 0.01 -0.60 -0.07 -1.06 0.00 0.00 177.43 175.71 1mx7 h LEU 35 N 0.00 0.00 -9.59 1.61 -0.00 0.06 -3.47 115.31 103.92 1mx7 h LEU 35 Ca 0.00 -0.16 -0.59 0.00 -0.00 0.00 0.00 57.88 57.14 1mx7 h LEU 35 Cb 0.85 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 41.38 1mx7 h LEU 35 CO 0.00 0.08 -0.57 -1.48 -0.00 0.00 0.00 178.44 176.47 1mx7 s LEU 36 N -4.50 2.43 -0.17 1.67 2.34 -1.17 -5.14 118.68 114.14 1mx7 s LEU 36 Ca 0.06 -1.48 -0.13 0.00 0.06 0.00 0.00 54.13 52.64 1mx7 s LEU 36 Cb 0.12 -0.61 0.05 0.00 -0.56 0.00 0.00 46.19 45.20 1mx7 s LEU 36 CO 0.72 -0.65 0.44 -1.59 -1.06 0.00 0.00 176.35 174.21 1mx7 s LYS 37 N -3.80 0.48 -0.48 1.48 -2.85 -1.26 -4.87 119.74 108.44 1mx7 s LYS 37 Ca 0.27 0.71 -0.28 0.00 -1.00 0.00 0.00 55.97 55.68 1mx7 s LYS 37 Cb 0.07 0.14 0.01 0.00 -2.06 0.00 0.00 37.83 35.98 1mx7 s LYS 37 CO 0.13 -0.10 1.49 -1.25 0.10 0.00 0.00 175.35 175.72 1mx7 s PRO 38 N 0.77 3.36 0.37 1.78 0.04 -1.26 -4.86 135.00 135.20 1mx7 s PRO 38 Ca -0.04 0.78 -0.19 0.00 0.04 0.00 0.00 61.00 61.58 1mx7 s PRO 38 Cb -0.05 -4.11 -0.10 0.00 0.04 0.00 0.00 34.50 30.27 1mx7 s PRO 38 CO -0.06 -1.84 0.86 -0.51 0.04 0.00 0.00 177.00 175.49 1mx7 s ASP 39 N 4.71 6.93 0.21 6.66 1.01 -1.22 -4.87 116.67 130.10 1mx7 s ASP 39 Ca 0.60 1.55 0.11 0.00 0.71 0.00 0.00 52.55 55.52 1mx7 s ASP 39 Cb -0.13 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 1mx7 s ASP 39 CO 0.29 -0.25 -0.22 -0.54 0.21 0.00 0.00 175.17 174.66 1mx7 s LYS 40 N -2.91 1.49 -0.24 8.23 1.02 -1.01 -1.33 119.74 124.99 1mx7 s LYS 40 Ca 0.57 -1.56 -0.03 0.00 0.02 0.00 0.00 55.97 54.97 1mx7 s LYS 40 Cb -0.11 -1.69 0.10 0.00 -0.52 0.00 0.00 37.83 35.61 1mx7 s LYS 40 CO 0.16 0.35 0.19 -2.00 -0.92 0.00 0.00 175.35 173.13 1mx7 s GLU 41 N -2.92 0.20 0.05 1.68 2.12 -0.99 -1.13 118.70 117.71 1mx7 s GLU 41 Ca 0.22 -0.12 -0.00 0.00 0.36 0.00 0.00 54.97 55.42 1mx7 s GLU 41 Cb -0.07 -1.18 -0.04 0.00 0.26 0.00 0.00 34.13 33.11 1mx7 s GLU 41 CO 0.10 -0.84 0.20 0.42 -0.54 0.00 0.00 175.26 174.59 1mx7 s ILE 42 N 2.24 5.33 0.02 -3.70 1.01 0.13 -2.53 121.20 123.69 1mx7 s ILE 42 Ca 0.07 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.35 1mx7 s ILE 42 Cb -0.15 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.72 1mx7 s ILE 42 CO -0.23 0.17 -0.04 -0.69 0.00 0.00 0.00 174.94 174.16 1mx7 s VAL 43 N -1.47 0.23 -0.03 2.92 1.01 -0.95 -0.94 120.40 121.18 1mx7 s VAL 43 Ca 0.33 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.74 1mx7 s VAL 43 Cb -0.13 -0.29 0.03 0.00 0.00 0.00 0.00 36.38 35.99 1mx7 s VAL 43 CO 0.26 -0.22 0.02 -1.58 0.00 0.00 0.00 175.10 173.58 1mx7 s GLN 44 N -0.84 0.11 -0.23 2.72 0.74 -1.26 -2.20 119.66 118.69 1mx7 s GLN 44 Ca -0.07 0.17 -0.11 0.00 0.05 0.00 0.00 55.36 55.40 1mx7 s GLN 44 Cb -0.06 -0.40 -0.10 0.00 1.10 0.00 0.00 33.01 33.55 1mx7 s GLN 44 CO -0.00 -0.19 -0.29 -0.25 -0.55 0.00 0.00 175.29 174.01 1mx7 n ASP 45 N 4.37 1.63 0.00 6.67 8.00 -1.16 -4.92 116.55 131.14 1mx7 n ASP 45 Ca -0.23 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1mx7 n ASP 45 Cb 0.50 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 1mx7 n ASP 45 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mx7 n GLY 46 N 1.58 0.94 0.25 0.44 0.00 -1.26 -4.42 105.19 102.71 1mx7 n GLY 46 Ca -0.45 0.40 0.14 0.00 0.00 0.00 0.00 46.02 46.11 1mx7 n GLY 46 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mx7 h ASP 47 N 0.00 0.00 -3.31 1.61 5.19 -1.98 -3.43 116.42 114.49 1mx7 h ASP 47 Ca 0.00 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 55.83 1mx7 h ASP 47 Cb 0.00 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 39.43 1mx7 h ASP 47 CO 0.00 0.02 -0.13 -1.00 -3.12 0.00 0.00 179.24 175.00 1mx7 s HIS 48 N -3.43 3.53 0.12 4.55 3.76 -1.26 -2.98 115.29 119.58 1mx7 s HIS 48 Ca 0.04 0.91 0.10 0.00 -0.15 0.00 0.00 55.06 55.97 1mx7 s HIS 48 Cb 0.07 -2.54 -0.04 0.00 1.11 0.00 0.00 32.58 31.18 1mx7 s HIS 48 CO 0.61 0.20 -0.25 1.41 -0.85 0.00 0.00 174.74 175.86 1mx7 s MET 49 N 0.50 1.35 -0.09 1.40 1.75 -0.82 -2.97 119.30 120.42 1mx7 s MET 49 Ca 0.26 -1.28 0.00 0.00 -1.25 0.00 0.00 55.69 53.43 1mx7 s MET 49 Cb -0.15 -1.76 0.02 0.00 2.84 0.00 0.00 34.83 35.77 1mx7 s MET 49 CO 0.11 0.42 -0.08 0.42 -0.65 0.00 0.00 175.02 175.24 1mx7 s ILE 50 N -1.06 0.97 -0.16 10.11 1.01 -0.94 0.13 121.20 131.26 1mx7 s ILE 50 Ca 0.12 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.44 1mx7 s ILE 50 Cb -0.10 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 1mx7 s ILE 50 CO 0.05 0.34 -0.05 -0.63 0.00 0.00 0.00 174.94 174.66 1mx7 s ILE 51 N 1.37 3.72 -0.32 2.92 1.09 -0.88 -2.23 121.20 126.87 1mx7 s ILE 51 Ca -0.02 -0.41 -0.00 0.00 -1.10 0.00 0.00 60.65 59.12 1mx7 s ILE 51 Cb -0.14 -2.63 0.07 0.00 -1.06 0.00 0.00 42.46 38.70 1mx7 s ILE 51 CO -0.04 0.48 0.02 -0.13 -0.10 0.00 0.00 174.94 175.17 1mx7 s ARG 52 N 0.56 2.16 -0.12 2.79 1.81 -1.05 -3.26 118.95 121.85 1mx7 s ARG 52 Ca -0.03 -1.48 -0.18 0.00 -1.72 0.00 0.00 55.73 52.31 1mx7 s ARG 52 Cb -0.15 -3.20 -0.04 0.00 -0.45 0.00 0.00 34.95 31.11 1mx7 s ARG 52 CO 0.03 -0.74 0.49 0.99 -0.68 0.00 0.00 175.30 175.38 1mx7 s THR 53 N 1.15 5.18 -0.51 0.02 2.01 -1.26 -2.34 115.64 119.89 1mx7 s THR 53 Ca -0.01 0.98 0.03 0.00 0.31 0.00 0.00 61.69 63.01 1mx7 s THR 53 Cb -0.20 -3.83 0.15 0.00 0.01 0.00 0.00 72.50 68.62 1mx7 s THR 53 CO -0.04 0.32 0.31 -0.76 -0.69 0.00 0.00 174.62 173.76 1mx7 s LEU 54 N 0.66 3.25 -0.14 4.42 1.02 -0.44 -4.42 118.68 123.03 1mx7 s LEU 54 Ca 0.27 -3.01 -0.03 0.00 0.02 0.00 0.00 54.13 51.37 1mx7 s LEU 54 Cb -0.15 -1.18 -0.03 0.00 0.02 0.00 0.00 46.19 44.84 1mx7 s LEU 54 CO 0.11 -0.21 -0.03 -0.44 0.02 0.00 0.00 176.35 175.80 1mx7 s SER 55 N -0.19 4.92 0.60 2.29 0.01 -1.26 -3.41 113.70 116.67 1mx7 s SER 55 Ca 0.21 -0.06 0.30 0.00 1.31 0.00 0.00 55.95 57.72 1mx7 s SER 55 Cb -0.17 -1.68 1.72 0.00 0.21 0.00 0.00 66.02 66.11 1mx7 s SER 55 CO -0.06 0.23 2.11 0.71 0.41 0.00 0.00 173.24 176.64 1mx7 h THR 56 N 4.86 0.40 0.00 1.44 1.35 -1.98 -3.39 112.91 115.59 1mx7 h THR 56 Ca -0.37 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1mx7 h THR 56 Cb 1.19 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1mx7 h THR 56 CO 0.61 0.00 0.00 0.33 -0.25 0.00 0.00 175.52 176.21 1mx7 n PHE 57 N -3.68 0.00 -2.49 4.73 7.35 -1.26 -4.98 117.46 117.13 1mx7 n PHE 57 Ca 0.01 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.30 1mx7 n PHE 57 Cb 0.30 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.09 1mx7 n PHE 57 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 1mx7 s ARG 58 N 1.58 4.64 0.01 -4.13 3.03 -1.26 -5.05 118.95 117.77 1mx7 s ARG 58 Ca 0.00 1.78 0.01 0.00 2.03 0.00 0.00 55.73 59.54 1mx7 s ARG 58 Cb 0.00 -3.17 -0.01 0.00 -1.03 0.00 0.00 34.95 30.74 1mx7 s ARG 58 CO 0.00 0.22 -0.04 0.54 -1.13 0.00 0.00 175.30 174.89 1mx7 s ASN 59 N -0.92 0.38 -0.04 -2.89 2.20 -1.26 -4.47 114.94 107.94 1mx7 s ASN 59 Ca 0.45 -0.24 0.03 0.00 -0.94 0.00 0.00 52.86 52.16 1mx7 s ASN 59 Cb -0.31 0.01 0.00 0.00 -2.00 0.00 0.00 41.25 38.95 1mx7 s ASN 59 CO 0.40 -0.09 -0.13 -0.72 -2.94 0.00 0.00 177.10 173.63 1mx7 s TYR 60 N -0.61 1.32 -0.28 1.54 1.13 -1.26 -5.08 117.35 114.11 1mx7 s TYR 60 Ca -0.05 -0.38 -0.14 0.00 -1.41 0.00 0.00 57.07 55.10 1mx7 s TYR 60 Cb -0.05 -0.92 -0.04 0.00 -1.10 0.00 0.00 41.96 39.85 1mx7 s TYR 60 CO -0.00 -0.15 0.31 0.42 -2.51 0.00 0.00 175.55 173.61 1mx7 s ILE 61 N 0.22 5.22 0.04 -3.49 1.09 -1.26 -4.08 121.20 118.94 1mx7 s ILE 61 Ca -0.05 0.38 0.08 0.00 -1.10 0.00 0.00 60.65 59.96 1mx7 s ILE 61 Cb -0.11 -3.66 -0.03 0.00 -1.06 0.00 0.00 42.46 37.61 1mx7 s ILE 61 CO 0.02 0.16 -0.23 -0.04 -0.10 0.00 0.00 174.94 174.75 1mx7 s MET 62 N 1.96 1.93 -0.16 2.79 -1.94 -1.20 -5.09 119.30 117.59 1mx7 s MET 62 Ca 0.12 -1.05 -0.01 0.00 -1.71 0.00 0.00 55.69 53.04 1mx7 s MET 62 Cb -0.16 -2.07 0.05 0.00 2.01 0.00 0.00 34.83 34.66 1mx7 s MET 62 CO 0.10 0.53 -0.01 -0.51 -0.01 0.00 0.00 175.02 175.12 1mx7 s ASP 63 N -1.28 2.64 0.55 3.03 1.11 -1.26 -2.06 116.67 119.38 1mx7 s ASP 63 Ca 0.13 -0.61 0.08 0.00 0.18 0.00 0.00 52.55 52.33 1mx7 s ASP 63 Cb -0.10 -0.72 0.06 0.00 1.07 0.00 0.00 42.92 43.23 1mx7 s ASP 63 CO 0.03 -0.23 0.66 -0.36 1.18 0.00 0.00 175.17 176.46 1mx7 s PHE 64 N 1.77 1.64 -0.24 4.23 0.08 0.36 -4.96 117.98 120.86 1mx7 s PHE 64 Ca 0.01 -0.71 -0.03 0.00 0.12 0.00 0.00 56.93 56.32 1mx7 s PHE 64 Cb -0.15 -2.16 0.10 0.00 -0.57 0.00 0.00 43.02 40.24 1mx7 s PHE 64 CO -0.07 -0.89 0.21 -0.65 -0.10 0.00 0.00 175.22 173.72 1mx7 s GLN 65 N -4.53 0.21 -0.01 0.44 -1.52 -1.26 -1.95 119.66 111.04 1mx7 s GLN 65 Ca 0.54 -0.06 -0.30 0.00 -1.95 0.00 0.00 55.36 53.60 1mx7 s GLN 65 Cb -0.05 -1.13 -0.07 0.00 -0.22 0.00 0.00 33.01 31.53 1mx7 s GLN 65 CO 0.34 -0.82 1.86 0.08 -0.25 0.00 0.00 175.29 176.50 1mx7 s VAL 66 N 2.27 3.23 -0.66 1.09 1.01 -1.16 -2.93 120.40 123.26 1mx7 s VAL 66 Ca 0.07 0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 1mx7 s VAL 66 Cb -0.15 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1mx7 s VAL 66 CO -0.22 -0.03 0.38 0.61 0.00 0.00 0.00 175.10 175.85 1mx7 n GLY 67 N 4.46 0.21 0.15 4.51 0.00 -0.82 -4.95 105.19 108.75 1mx7 n GLY 67 Ca 0.19 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.90 1mx7 n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mx7 n LYS 68 N -2.34 0.56 -1.14 1.61 5.02 -1.15 -5.10 118.16 115.62 1mx7 n LYS 68 Ca -0.03 -0.98 0.01 0.00 -2.02 0.00 0.00 58.31 55.29 1mx7 n LYS 68 Cb 0.54 -0.67 -0.00 0.00 -0.02 0.00 0.00 35.03 34.88 1mx7 n LYS 68 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1mx7 n GLU 69 N -0.21 -2.97 -3.52 1.97 2.13 -1.26 -5.04 120.64 111.74 1mx7 n GLU 69 Ca 0.01 2.32 -0.11 0.00 0.66 0.00 0.00 57.16 60.04 1mx7 n GLU 69 Cb 0.53 -2.92 -0.10 0.00 0.27 0.00 0.00 31.44 29.22 1mx7 n GLU 69 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1mx7 s PHE 70 N -4.98 -0.65 -0.95 4.31 5.36 -1.09 -4.94 117.98 115.04 1mx7 s PHE 70 Ca 0.00 0.96 -0.20 0.00 -0.96 0.00 0.00 56.93 56.73 1mx7 s PHE 70 Cb 0.00 0.03 0.11 0.00 -0.34 0.00 0.00 43.02 42.82 1mx7 s PHE 70 CO 0.00 -0.56 1.21 -2.00 -1.46 0.00 0.00 175.22 172.41 1mx7 s GLU 71 N 2.50 3.60 1.06 10.12 2.12 -1.26 -2.19 118.70 134.64 1mx7 s GLU 71 Ca 0.06 -1.60 -0.13 0.00 0.36 0.00 0.00 54.97 53.65 1mx7 s GLU 71 Cb -0.14 -5.03 0.22 0.00 0.26 0.00 0.00 34.13 29.44 1mx7 s GLU 71 CO -0.13 -1.88 1.08 -1.21 -0.54 0.00 0.00 175.26 172.58 1mx7 s GLU 72 N 3.27 -0.04 -0.42 4.30 0.41 -1.07 -4.97 118.70 120.17 1mx7 s GLU 72 Ca 0.36 0.48 0.08 0.00 -0.41 0.00 0.00 54.97 55.48 1mx7 s GLU 72 Cb -0.04 -1.69 0.31 0.00 -1.78 0.00 0.00 34.13 30.94 1mx7 s GLU 72 CO -0.10 -3.04 0.87 -3.47 -0.49 0.00 0.00 175.26 169.03 1mx7 n ASP 73 N -4.38 -0.92 -4.53 -0.19 2.03 -1.26 -3.93 116.55 103.36 1mx7 n ASP 73 Ca 0.05 -3.26 -0.41 0.00 0.52 0.00 0.00 54.79 51.69 1mx7 n ASP 73 Cb 0.57 0.65 0.02 0.00 -0.72 0.00 0.00 41.12 41.64 1mx7 n ASP 73 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1mx7 n LEU 74 N 0.64 1.46 -3.25 -2.67 7.99 -1.26 -4.93 117.00 114.99 1mx7 n LEU 74 Ca 0.15 0.92 -0.04 0.00 -0.01 0.00 0.00 56.01 57.03 1mx7 n LEU 74 Cb 0.65 -1.24 -0.03 0.00 -0.11 0.00 0.00 43.42 42.69 1mx7 n LEU 74 CO 0.12 -2.27 0.01 -0.89 -1.51 0.00 0.00 177.39 172.85 1mx7 s THR 75 N -1.43 -0.79 0.00 -5.08 2.01 -1.26 -3.52 115.64 105.57 1mx7 s THR 75 Ca 0.65 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.37 1mx7 s THR 75 Cb -0.55 -0.42 0.00 0.00 0.01 0.00 0.00 72.50 71.54 1mx7 s THR 75 CO 0.56 -0.18 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 1mx7 n GLY 76 N 4.62 3.84 2.88 4.40 0.00 -1.26 -4.92 105.19 114.76 1mx7 n GLY 76 Ca 0.09 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 1mx7 n GLY 76 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1mx7 n ILE 77 N 0.00 5.57 0.00 -0.61 0.13 -1.26 -4.56 119.36 118.63 1mx7 n ILE 77 Ca 0.00 -5.90 0.00 0.00 -1.10 0.00 0.00 62.75 55.75 1mx7 n ILE 77 Cb 0.00 -1.92 0.00 0.00 -0.84 0.00 0.00 39.64 36.88 1mx7 n ILE 77 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1mx7 n ASP 78 N 0.95 0.00 -2.81 9.51 2.03 -1.26 -4.72 116.55 120.25 1mx7 n ASP 78 Ca 0.33 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.61 1mx7 n ASP 78 Cb 0.31 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.68 1mx7 n ASP 78 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1mx7 n ASP 79 N 0.00 -3.79 -3.65 1.67 5.75 -1.26 -5.04 116.55 110.24 1mx7 n ASP 79 Ca 0.00 1.18 -0.04 0.00 -0.01 0.00 0.00 54.79 55.92 1mx7 n ASP 79 Cb 0.00 -3.51 -0.06 0.00 -1.03 0.00 0.00 41.12 36.52 1mx7 n ASP 79 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1mx7 s ARG 80 N -0.35 0.61 0.60 0.11 3.52 -1.23 -4.93 118.95 117.28 1mx7 s ARG 80 Ca -0.15 1.33 -0.19 0.00 -0.13 0.00 0.00 55.73 56.59 1mx7 s ARG 80 Cb 0.01 0.55 -0.03 0.00 -1.56 0.00 0.00 34.95 33.92 1mx7 s ARG 80 CO 0.41 -0.18 1.26 0.15 -0.81 0.00 0.00 175.30 176.13 1mx7 s LYS 81 N 2.36 2.90 0.29 5.12 1.02 -1.26 -4.03 119.74 126.14 1mx7 s LYS 81 Ca -0.07 1.97 -0.19 0.00 0.02 0.00 0.00 55.97 57.70 1mx7 s LYS 81 Cb -0.09 -1.98 0.02 0.00 -0.52 0.00 0.00 37.83 35.26 1mx7 s LYS 81 CO -0.19 -1.30 0.68 0.00 -0.92 0.00 0.00 175.35 173.62 1mx7 s MET 83 N -3.76 1.62 -0.27 0.00 -1.94 -1.21 -2.60 119.30 111.14 1mx7 s MET 83 Ca 0.14 -2.11 -0.07 0.00 -1.71 0.00 0.00 55.69 51.93 1mx7 s MET 83 Cb -0.05 -3.19 -0.01 0.00 2.01 0.00 0.00 34.83 33.59 1mx7 s MET 83 CO 0.08 -1.00 0.07 0.99 -0.01 0.00 0.00 175.02 175.15 1mx7 s THR 84 N 0.50 4.14 -0.25 2.05 2.01 -0.93 -2.26 115.64 120.89 1mx7 s THR 84 Ca 0.13 -0.43 -0.06 0.00 0.31 0.00 0.00 61.69 61.65 1mx7 s THR 84 Cb -0.21 -3.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 1mx7 s THR 84 CO -0.06 0.22 0.03 -0.89 -0.69 0.00 0.00 174.62 173.23 1mx7 s THR 85 N 1.56 3.84 -0.12 -0.82 2.01 -1.19 -2.68 115.64 118.23 1mx7 s THR 85 Ca 0.05 -0.45 -0.08 0.00 0.31 0.00 0.00 61.69 61.52 1mx7 s THR 85 Cb -0.16 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 1mx7 s THR 85 CO 0.03 0.29 0.15 -0.69 -0.69 0.00 0.00 174.62 173.71 1mx7 s VAL 86 N 1.53 5.49 0.15 3.82 1.01 -1.26 -3.68 120.40 127.46 1mx7 s VAL 86 Ca 0.05 0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.23 1mx7 s VAL 86 Cb -0.15 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.82 1mx7 s VAL 86 CO 0.01 0.60 0.26 -0.24 0.00 0.00 0.00 175.10 175.73 1mx7 n SER 87 N 2.11 -0.75 -3.91 3.32 2.88 -1.17 -1.94 113.62 114.16 1mx7 n SER 87 Ca -0.19 -1.72 -0.20 0.00 -1.33 0.00 0.00 58.87 55.43 1mx7 n SER 87 Cb 0.55 1.31 -0.16 0.00 -0.75 0.00 0.00 64.21 65.16 1mx7 n SER 87 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1mx7 s TRP 88 N -5.21 0.79 -0.17 0.66 1.48 -1.26 -3.09 118.94 112.15 1mx7 s TRP 88 Ca 0.09 -0.22 -0.06 0.00 -1.06 0.00 0.00 56.10 54.85 1mx7 s TRP 88 Cb -0.01 -0.67 0.08 0.00 -1.16 0.00 0.00 33.47 31.70 1mx7 s TRP 88 CO 0.07 -0.18 0.33 0.34 -4.06 0.00 0.00 176.95 173.45 1mx7 s ASP 89 N 0.81 0.11 0.00 -2.66 -1.08 -1.21 -4.80 116.67 107.84 1mx7 s ASP 89 Ca -0.11 0.73 0.00 0.00 -0.52 0.00 0.00 52.55 52.65 1mx7 s ASP 89 Cb -0.14 0.99 0.00 0.00 -1.46 0.00 0.00 42.92 42.31 1mx7 s ASP 89 CO 0.01 -0.24 0.00 0.61 0.52 0.00 0.00 175.17 176.07 1mx7 n GLY 90 N 5.37 0.68 2.86 2.66 0.00 -1.26 -3.55 105.19 111.94 1mx7 n GLY 90 Ca -0.07 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1mx7 n GLY 90 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mx7 n ASP 91 N 0.39 -2.26 -5.00 1.61 2.03 -1.26 -4.99 116.55 107.07 1mx7 n ASP 91 Ca 0.00 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.13 1mx7 n ASP 91 Cb 0.00 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.04 1mx7 n ASP 91 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1mx7 s LYS 92 N -0.61 2.88 -0.58 -0.67 -2.85 -1.23 -4.92 119.74 111.76 1mx7 s LYS 92 Ca 0.00 -1.20 -0.02 0.00 -1.00 0.00 0.00 55.97 53.74 1mx7 s LYS 92 Cb 0.00 -2.75 0.15 0.00 -2.06 0.00 0.00 37.83 33.17 1mx7 s LYS 92 CO 0.00 -0.19 0.39 -1.17 0.10 0.00 0.00 175.35 174.48 1mx7 s LEU 93 N -4.29 5.20 0.18 2.77 0.20 -0.08 -3.29 118.68 119.35 1mx7 s LEU 93 Ca 0.52 -2.71 0.05 0.00 0.69 0.00 0.00 54.13 52.68 1mx7 s LEU 93 Cb -0.09 -1.84 -0.04 0.00 -0.43 0.00 0.00 46.19 43.79 1mx7 s LEU 93 CO 0.32 -0.39 0.18 0.00 -0.29 0.00 0.00 176.35 176.17 1mx7 s GLN 94 N 0.14 3.02 0.23 1.98 -2.07 -1.18 0.07 119.66 121.86 1mx7 s GLN 94 Ca 0.15 -0.84 -0.06 0.00 -1.82 0.00 0.00 55.36 52.79 1mx7 s GLN 94 Cb -0.21 -2.70 -0.02 0.00 -1.09 0.00 0.00 33.01 28.99 1mx7 s GLN 94 CO -0.03 0.48 0.29 0.00 -1.32 0.00 0.00 175.29 174.71 1mx7 s VAL 96 N -4.03 -0.11 -0.24 0.00 1.01 -1.24 -3.63 120.40 112.17 1mx7 s VAL 96 Ca 0.32 0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.44 1mx7 s VAL 96 Cb 0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 1mx7 s VAL 96 CO 0.11 0.08 -0.01 -1.10 0.00 0.00 0.00 175.10 174.18 1mx7 s GLN 97 N 1.47 3.34 -1.14 2.72 -0.21 -1.26 -3.16 119.66 121.42 1mx7 s GLN 97 Ca -0.07 -0.66 -0.11 0.00 0.02 0.00 0.00 55.36 54.54 1mx7 s GLN 97 Cb -0.11 -3.10 0.24 0.00 1.00 0.00 0.00 33.01 31.04 1mx7 s GLN 97 CO -0.08 -0.24 1.22 0.15 -2.12 0.00 0.00 175.29 174.21 1mx7 s LYS 98 N 1.49 4.14 -0.42 2.91 -0.14 -0.96 -4.73 119.74 122.03 1mx7 s LYS 98 Ca 0.05 -2.96 0.06 0.00 -1.36 0.00 0.00 55.97 51.76 1mx7 s LYS 98 Cb -0.15 -4.74 0.21 0.00 -1.68 0.00 0.00 37.83 31.47 1mx7 s LYS 98 CO -0.02 -1.44 0.49 0.41 -0.76 0.00 0.00 175.35 174.04 1mx7 n GLY 99 N 3.27 2.04 3.56 -3.33 0.00 -1.26 -3.32 105.19 106.14 1mx7 n GLY 99 Ca 0.28 -1.15 0.11 0.00 0.00 0.00 0.00 46.02 45.26 1mx7 n GLY 99 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mx7 n GLU 100 N 2.15 -1.70 -1.41 1.61 4.71 -1.26 -5.02 120.64 119.72 1mx7 n GLU 100 Ca 0.24 1.12 0.19 0.00 -0.01 0.00 0.00 57.16 58.69 1mx7 n GLU 100 Cb 0.52 -2.07 -0.06 0.00 -1.01 0.00 0.00 31.44 28.82 1mx7 n GLU 100 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1mx7 n LYS 101 N -3.21 -2.95 -3.85 3.49 4.76 -1.26 -4.76 118.16 110.38 1mx7 n LYS 101 Ca 0.01 2.06 -0.29 0.00 -2.87 0.00 0.00 58.31 57.21 1mx7 n LYS 101 Cb 0.38 -3.56 -0.13 0.00 -1.84 0.00 0.00 35.03 29.88 1mx7 n LYS 101 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1mx7 s GLU 102 N -2.66 1.80 0.00 1.97 2.02 -1.26 -4.78 118.70 115.79 1mx7 s GLU 102 Ca 0.00 -2.52 0.00 0.00 0.02 0.00 0.00 54.97 52.47 1mx7 s GLU 102 Cb 0.00 -2.97 0.00 0.00 0.10 0.00 0.00 34.13 31.26 1mx7 s GLU 102 CO 0.00 -1.16 0.00 0.41 0.02 0.00 0.00 175.26 174.53 1mx7 n GLY 103 N 3.08 1.05 3.58 -1.39 0.00 -1.26 -0.14 105.19 110.11 1mx7 n GLY 103 Ca 0.09 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.59 1mx7 n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mx7 n ARG 104 N 0.00 1.11 0.00 1.61 1.74 -1.23 -3.65 116.66 116.24 1mx7 n ARG 104 Ca 0.00 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 1mx7 n ARG 104 Cb 0.00 -2.01 0.00 0.00 -1.02 0.00 0.00 32.46 29.43 1mx7 n ARG 104 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1mx7 n GLY 105 N 2.39 4.57 3.79 -0.13 0.00 -1.20 -4.07 105.19 110.54 1mx7 n GLY 105 Ca 0.18 -1.09 -0.24 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.90 2.46 -0.40 1.61 0.52 -1.24 -1.76 118.94 118.24 1mx7 s TRP 106 Ca 0.00 -0.62 0.05 0.00 0.02 0.00 0.00 56.10 55.55 1mx7 s TRP 106 Cb 0.00 -1.98 0.17 0.00 -1.15 0.00 0.00 33.47 30.51 1mx7 s TRP 106 CO 0.00 0.04 0.51 0.99 0.02 0.00 0.00 176.95 178.50 1mx7 s THR 107 N -2.61 -0.63 -0.79 2.01 2.01 -1.22 -1.98 115.64 112.44 1mx7 s THR 107 Ca 0.40 -0.65 -0.26 0.00 0.31 0.00 0.00 61.69 61.49 1mx7 s THR 107 Cb 0.02 -0.36 0.03 0.00 0.01 0.00 0.00 72.50 72.20 1mx7 s THR 107 CO 0.23 -0.33 1.32 -1.10 -0.69 0.00 0.00 174.62 174.05 1mx7 s GLN 108 N 1.50 3.25 -0.17 4.92 -0.21 0.11 -3.34 119.66 125.72 1mx7 s GLN 108 Ca 0.18 -0.38 -0.06 0.00 0.02 0.00 0.00 55.36 55.12 1mx7 s GLN 108 Cb -0.09 -4.39 -0.04 0.00 1.00 0.00 0.00 33.01 29.49 1mx7 s GLN 108 CO -0.05 -2.18 0.03 -0.46 -2.12 0.00 0.00 175.29 170.52 1mx7 s TRP 109 N 5.69 3.20 -0.27 0.91 -0.11 -1.26 -0.91 118.94 126.20 1mx7 s TRP 109 Ca 0.38 -0.00 -0.17 0.00 1.22 0.00 0.00 56.10 57.52 1mx7 s TRP 109 Cb -0.07 -2.03 -0.03 0.00 -1.50 0.00 0.00 33.47 29.85 1mx7 s TRP 109 CO 0.11 0.14 0.48 0.42 -4.62 0.00 0.00 176.95 173.48 1mx7 s ILE 110 N 0.26 5.09 -1.05 5.86 1.01 -1.26 -1.08 121.20 130.02 1mx7 s ILE 110 Ca 0.02 0.77 -0.04 0.00 0.00 0.00 0.00 60.65 61.40 1mx7 s ILE 110 Cb -0.13 -3.81 0.30 0.00 0.01 0.00 0.00 42.46 38.83 1mx7 s ILE 110 CO 0.01 0.08 1.37 -0.62 0.00 0.00 0.00 174.94 175.78 1mx7 n GLU 111 N 5.51 4.18 0.00 2.79 1.02 0.22 -4.95 120.64 129.42 1mx7 n GLU 111 Ca -0.05 -4.55 0.00 0.00 -0.02 0.00 0.00 57.16 52.54 1mx7 n GLU 111 Cb 0.50 -2.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.42 1mx7 n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mx7 n GLY 112 N 1.51 0.66 0.84 0.62 0.00 -1.26 -1.09 105.19 106.48 1mx7 n GLY 112 Ca 0.26 0.57 0.03 0.00 0.00 0.00 0.00 46.02 46.88 1mx7 n GLY 112 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mx7 n ASP 113 N 9.29 2.29 -4.09 1.61 5.75 -1.26 -4.86 116.55 125.28 1mx7 n ASP 113 Ca 0.00 -2.23 -0.08 0.00 -0.01 0.00 0.00 54.79 52.47 1mx7 n ASP 113 Cb 0.00 -0.44 -0.10 0.00 -1.03 0.00 0.00 41.12 39.55 1mx7 n ASP 113 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1mx7 s GLU 114 N -1.64 0.62 -0.18 0.11 2.02 -0.25 -1.71 118.70 117.67 1mx7 s GLU 114 Ca 0.19 -1.15 0.01 0.00 0.02 0.00 0.00 54.97 54.04 1mx7 s GLU 114 Cb 0.13 0.09 0.01 0.00 0.10 0.00 0.00 34.13 34.46 1mx7 s GLU 114 CO 0.08 -0.08 -0.18 -1.17 0.02 0.00 0.00 175.26 173.93 1mx7 s LEU 115 N -2.71 2.25 -0.73 1.80 0.20 -1.23 0.73 118.68 118.98 1mx7 s LEU 115 Ca 0.04 -0.60 0.04 0.00 0.69 0.00 0.00 54.13 54.30 1mx7 s LEU 115 Cb 0.04 -1.51 0.28 0.00 -0.43 0.00 0.00 46.19 44.57 1mx7 s LEU 115 CO -0.07 0.02 0.97 1.57 -0.29 0.00 0.00 176.35 178.55 1mx7 n HIS 116 N 4.52 3.40 -2.17 5.38 -0.00 -0.24 -1.88 115.22 124.23 1mx7 n HIS 116 Ca -0.20 -3.75 -0.42 0.00 -0.00 0.00 0.00 57.72 53.34 1mx7 n HIS 116 Cb 0.50 -0.71 -0.03 0.00 -0.00 0.00 0.00 29.99 29.75 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 -2.79 4.34 -0.34 0.27 0.20 -1.24 -4.02 118.68 115.09 1mx7 s LEU 117 Ca 0.40 2.22 0.01 0.00 0.69 0.00 0.00 54.13 57.44 1mx7 s LEU 117 Cb 0.15 -3.57 0.11 0.00 -0.43 0.00 0.00 46.19 42.45 1mx7 s LEU 117 CO -0.01 -0.73 0.11 -0.70 -0.29 0.00 0.00 176.35 174.73 1mx7 s GLU 118 N 2.13 1.02 -0.11 1.98 2.12 -1.21 -2.03 118.70 122.60 1mx7 s GLU 118 Ca 0.65 -1.45 -0.14 0.00 0.36 0.00 0.00 54.97 54.39 1mx7 s GLU 118 Cb -0.34 -2.37 -0.05 0.00 0.26 0.00 0.00 34.13 31.63 1mx7 s GLU 118 CO 0.28 -1.01 0.34 0.00 -0.54 0.00 0.00 175.26 174.33 1mx7 s MET 119 N 1.20 4.10 0.40 4.30 0.23 0.02 -3.39 119.30 126.16 1mx7 s MET 119 Ca 0.11 0.21 0.08 0.00 -1.03 0.00 0.00 55.69 55.06 1mx7 s MET 119 Cb -0.19 -3.35 -0.05 0.00 -1.53 0.00 0.00 34.83 29.71 1mx7 s MET 119 CO -0.16 0.40 0.16 -0.98 -2.03 0.00 0.00 175.02 172.40 1mx7 s ARG 120 N -0.06 2.22 -0.30 3.16 1.70 -0.72 -0.82 118.95 124.13 1mx7 s ARG 120 Ca 0.20 -1.81 -0.18 0.00 -0.47 0.00 0.00 55.73 53.46 1mx7 s ARG 120 Cb -0.14 -1.99 0.19 0.00 -0.57 0.00 0.00 34.95 32.43 1mx7 s ARG 120 CO 0.07 -0.07 1.23 0.00 -1.08 0.00 0.00 175.30 175.45 1mx7 s ALA 121 N -2.58 -3.41 -1.05 7.88 0.00 -0.65 -3.23 121.76 118.72 1mx7 s ALA 121 Ca 0.40 1.65 -0.01 0.00 0.00 0.00 0.00 51.96 54.00 1mx7 s ALA 121 Cb 0.03 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.77 1mx7 s ALA 121 CO 0.22 -1.15 0.11 -1.91 0.00 0.00 0.00 175.76 173.03 1mx7 n GLU 122 N 4.91 -1.61 -0.60 0.00 0.00 -0.98 -2.57 120.64 119.79 1mx7 n GLU 122 Ca -0.07 0.60 0.00 0.00 0.00 0.00 0.00 57.16 57.68 1mx7 n GLU 122 Cb 0.55 -4.78 0.00 0.00 0.00 0.00 0.00 31.44 27.21 1mx7 n GLU 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1mx7 n GLY 123 N -1.08 1.66 3.62 8.31 0.00 0.81 -4.93 105.19 113.58 1mx7 n GLY 123 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.47 5.20 -0.29 1.61 1.01 -1.06 -5.07 120.40 118.34 1mx7 s VAL 124 Ca 0.00 0.56 -0.09 0.00 0.00 0.00 0.00 61.98 62.45 1mx7 s VAL 124 Cb 0.00 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1mx7 s VAL 124 CO 0.00 0.20 0.13 -0.89 0.00 0.00 0.00 175.10 174.54 1mx7 s THR 125 N 1.80 4.59 -0.20 3.92 2.01 -1.26 -1.64 115.64 124.85 1mx7 s THR 125 Ca 0.15 -0.28 -0.08 0.00 0.31 0.00 0.00 61.69 61.80 1mx7 s THR 125 Cb -0.15 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 1mx7 s THR 125 CO 0.09 0.17 0.08 0.00 -0.69 0.00 0.00 174.62 174.27 1mx7 s LYS 127 N 0.62 0.93 -0.02 0.00 3.01 -1.26 -0.80 119.74 122.21 1mx7 s LYS 127 Ca 0.04 -1.20 0.01 0.00 -1.01 0.00 0.00 55.97 53.82 1mx7 s LYS 127 Cb -0.13 -0.69 0.01 0.00 -1.01 0.00 0.00 37.83 36.01 1mx7 s LYS 127 CO 0.01 0.12 -0.04 -0.65 0.51 0.00 0.00 175.35 175.31 1mx7 s GLN 128 N -2.75 0.46 -0.61 1.68 -0.21 -0.86 -2.76 119.66 114.61 1mx7 s GLN 128 Ca 0.07 -0.10 -0.24 0.00 0.02 0.00 0.00 55.36 55.11 1mx7 s GLN 128 Cb -0.04 -0.50 0.05 0.00 1.00 0.00 0.00 33.01 33.53 1mx7 s GLN 128 CO 0.01 0.01 0.99 0.08 -2.12 0.00 0.00 175.29 174.26 1mx7 s VAL 129 N 0.36 4.29 0.47 1.09 1.01 -0.72 -3.71 120.40 123.19 1mx7 s VAL 129 Ca -0.04 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1mx7 s VAL 129 Cb -0.07 -4.63 0.00 0.00 0.00 0.00 0.00 36.38 31.68 1mx7 s VAL 129 CO -0.00 -1.31 0.68 -0.36 0.00 0.00 0.00 175.10 174.11 1mx7 s PHE 130 N 4.18 3.14 -0.03 5.22 0.08 -0.79 -1.82 117.98 127.97 1mx7 s PHE 130 Ca 0.28 0.16 0.02 0.00 0.12 0.00 0.00 56.93 57.52 1mx7 s PHE 130 Cb -0.14 -2.39 0.01 0.00 -0.57 0.00 0.00 43.02 39.93 1mx7 s PHE 130 CO 0.16 -0.45 -0.08 0.21 -0.10 0.00 0.00 175.22 174.96 1mx7 s LYS 131 N -4.58 0.89 -0.06 0.44 2.47 -0.48 -3.58 119.74 114.84 1mx7 s LYS 131 Ca 0.50 -0.25 -0.21 0.00 -1.56 0.00 0.00 55.97 54.44 1mx7 s LYS 131 Cb -0.10 -0.84 -0.04 0.00 -1.46 0.00 0.00 37.83 35.38 1mx7 s LYS 131 CO 0.38 0.07 0.62 0.21 0.16 0.00 0.00 175.35 176.78 1mx7 s LYS 132 N 0.32 4.38 -0.14 4.03 2.47 -0.69 -2.65 119.74 127.46 1mx7 s LYS 132 Ca -0.05 0.74 -0.06 0.00 -1.56 0.00 0.00 55.97 55.04 1mx7 s LYS 132 Cb -0.09 -3.41 -0.07 0.00 -1.46 0.00 0.00 37.83 32.80 1mx7 s LYS 132 CO 0.00 0.18 -0.17 0.28 0.16 0.00 0.00 175.35 175.80 1mx7 n VAL 133 N 3.44 0.78 -0.45 4.02 0.31 -1.20 -4.93 118.33 120.30 1mx7 n VAL 133 Ca -0.04 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1mx7 n VAL 133 Cb 0.51 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 1mx7 n VAL 133 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08