#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 -6.78 -3.09 0.52 0.31 -1.26 -4.97 118.33 103.07 1mx7 n VAL 2 Ca 0.00 1.18 -0.15 0.00 -0.01 0.00 0.00 64.34 65.36 1mx7 n VAL 2 Cb 0.00 -4.51 -0.04 0.00 -0.91 0.00 0.00 33.84 28.38 1mx7 n VAL 2 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1mx7 s ASP 3 N -0.25 -0.04 0.24 4.52 1.47 -1.26 -4.99 116.67 116.36 1mx7 s ASP 3 Ca -0.07 -2.27 0.03 0.00 1.18 0.00 0.00 52.55 51.42 1mx7 s ASP 3 Cb 0.00 0.81 0.27 0.00 -0.34 0.00 0.00 42.92 43.66 1mx7 s ASP 3 CO 0.18 -0.12 1.59 -0.26 0.68 0.00 0.00 175.17 177.24 1mx7 h PHE 4 N 5.47 0.42 -0.29 2.11 -1.00 -1.97 -3.43 116.94 118.25 1mx7 h PHE 4 Ca 0.15 -0.14 -0.35 0.00 2.81 0.00 0.00 57.97 60.43 1mx7 h PHE 4 Cb 1.02 -0.08 -0.07 0.00 3.61 0.00 0.00 35.95 40.43 1mx7 h PHE 4 CO 0.19 0.79 1.54 -1.71 -1.61 0.00 0.00 178.31 177.50 1mx7 n ASN 5 N -3.95 0.19 0.00 2.17 2.85 -1.26 -4.60 115.26 110.66 1mx7 n ASN 5 Ca -0.02 -0.49 0.00 0.00 -0.11 0.00 0.00 54.58 53.96 1mx7 n ASN 5 Cb 0.57 -1.00 0.00 0.00 1.24 0.00 0.00 39.78 40.58 1mx7 n ASN 5 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1mx7 n GLY 6 N 6.11 2.72 0.00 8.20 0.00 -1.20 -5.03 105.19 116.00 1mx7 n GLY 6 Ca 0.59 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1mx7 n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1mx7 n TYR 7 N 0.00 -0.50 -3.14 1.61 4.01 -1.26 -4.65 117.16 113.24 1mx7 n TYR 7 Ca 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1mx7 n TYR 7 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1mx7 n TYR 7 CO 0.00 0.00 0.00 -2.67 -0.46 0.00 0.00 176.86 173.73 1mx7 n TRP 8 N 0.00 -0.96 0.00 -0.72 2.14 -1.26 -4.60 117.44 112.05 1mx7 n TRP 8 Ca 0.00 -0.09 0.00 0.00 2.07 0.00 0.00 57.50 59.48 1mx7 n TRP 8 Cb 0.00 0.04 0.00 0.00 -0.81 0.00 0.00 31.31 30.54 1mx7 n TRP 8 CO 0.00 0.00 0.00 1.17 2.07 0.00 0.00 177.69 180.93 1mx7 n LYS 9 N -0.02 0.00 -1.66 -2.67 4.81 -1.06 -4.14 118.16 113.42 1mx7 n LYS 9 Ca -0.00 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 57.00 1mx7 n LYS 9 Cb 0.03 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.06 1mx7 n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1mx7 n MET 10 N 0.00 1.89 -0.05 1.64 0.00 -1.26 0.13 117.12 119.47 1mx7 n MET 10 Ca 0.00 0.67 -0.10 0.00 0.00 0.00 0.00 57.70 58.26 1mx7 n MET 10 Cb 0.00 -2.24 -0.03 0.00 0.00 0.00 0.00 33.22 30.95 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 1.49 1.37 -3.61 3.17 -0.00 0.15 -4.79 117.00 114.79 1mx7 n LEU 11 Ca 0.09 0.22 -0.09 0.00 -0.00 0.00 0.00 56.01 56.23 1mx7 n LEU 11 Cb 0.33 -0.52 -0.06 0.00 -0.00 0.00 0.00 43.42 43.17 1mx7 n LEU 11 CO 0.62 -0.12 0.79 -0.94 -0.00 0.00 0.00 177.39 177.74 1mx7 s SER 12 N -6.16 -0.38 0.24 1.96 1.04 -1.06 -4.99 113.70 104.35 1mx7 s SER 12 Ca -0.19 0.56 0.11 0.00 0.48 0.00 0.00 55.95 56.91 1mx7 s SER 12 Cb 0.05 0.51 -0.05 0.00 0.10 0.00 0.00 66.02 66.63 1mx7 s SER 12 CO 0.26 -0.24 -0.20 0.21 0.98 0.00 0.00 173.24 174.25 1mx7 s ASN 13 N -0.53 3.63 0.26 7.02 2.47 -1.26 -0.72 114.94 125.81 1mx7 s ASN 13 Ca 0.01 -0.91 -0.13 0.00 0.42 0.00 0.00 52.86 52.25 1mx7 s ASN 13 Cb -0.02 -0.35 0.00 0.00 -1.45 0.00 0.00 41.25 39.43 1mx7 s ASN 13 CO -0.03 0.07 0.51 -1.83 -3.72 0.00 0.00 177.10 172.11 1mx7 s GLU 14 N -3.14 1.62 -1.51 0.43 -1.05 -1.20 -4.93 118.70 108.93 1mx7 s GLU 14 Ca 0.26 -1.27 -0.15 0.00 -0.15 0.00 0.00 54.97 53.66 1mx7 s GLU 14 Cb -0.07 0.49 0.12 0.00 -0.44 0.00 0.00 34.13 34.23 1mx7 s GLU 14 CO 0.13 -0.68 0.68 0.09 0.95 0.00 0.00 175.26 176.43 1mx7 n ASN 15 N -0.49 -3.51 0.08 0.83 5.03 -1.26 -3.99 115.26 111.95 1mx7 n ASN 15 Ca -0.02 -0.74 -0.10 0.00 0.87 0.00 0.00 54.58 54.59 1mx7 n ASN 15 Cb 0.62 -2.88 -0.02 0.00 -1.02 0.00 0.00 39.78 36.47 1mx7 n ASN 15 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 1mx7 h PHE 16 N -1.31 0.39 0.04 3.10 3.57 -1.98 -1.81 116.94 118.93 1mx7 h PHE 16 Ca -0.52 -0.21 -0.23 0.00 3.53 0.00 0.00 57.97 60.54 1mx7 h PHE 16 Cb 1.34 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 40.04 1mx7 h PHE 16 CO 0.65 1.03 -1.01 1.49 -2.23 0.00 0.00 178.31 178.24 1mx7 h GLU 17 N 0.14 0.32 0.00 1.11 4.81 -1.97 -2.92 114.58 116.08 1mx7 h GLU 17 Ca -0.05 -0.40 -0.10 0.00 -0.13 0.00 0.00 59.36 58.68 1mx7 h GLU 17 Cb 1.53 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 31.02 1mx7 h GLU 17 CO 0.14 1.10 -0.45 0.93 -0.73 0.00 0.00 179.01 180.00 1mx7 h GLU 18 N 0.16 0.00 -0.36 1.92 5.08 -1.96 -2.97 114.58 116.45 1mx7 h GLU 18 Ca -0.09 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1mx7 h GLU 18 Cb 1.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.91 1mx7 h GLU 18 CO 0.17 0.45 0.02 -0.92 -1.00 0.00 0.00 179.01 177.73 1mx7 h TYR 19 N 0.00 0.68 0.00 4.33 3.20 -1.27 -3.06 116.97 120.85 1mx7 h TYR 19 Ca -0.00 -0.11 -0.06 0.00 3.14 0.00 0.00 58.73 61.69 1mx7 h TYR 19 Cb 1.19 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 1mx7 h TYR 19 CO 0.00 0.71 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.87 1mx7 h LEU 20 N 0.45 0.00 -1.78 2.82 3.38 -1.52 -3.14 115.31 115.52 1mx7 h LEU 20 Ca 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1mx7 h LEU 20 Cb 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1mx7 h LEU 20 CO 0.02 0.29 -0.15 -0.09 0.09 0.00 0.00 178.44 178.60 1mx7 h ARG 21 N 0.00 0.00 -0.23 1.13 1.12 -1.42 -2.39 114.38 112.59 1mx7 h ARG 21 Ca -0.00 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.80 1mx7 h ARG 21 Cb 1.04 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.00 1mx7 h ARG 21 CO 0.04 0.15 -0.13 0.00 -3.11 0.00 0.00 179.97 176.92 1mx7 h ALA 22 N 1.85 0.32 0.00 2.80 0.00 -1.50 -3.21 119.26 119.52 1mx7 h ALA 22 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1mx7 h ALA 22 Cb 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1mx7 h ALA 22 CO 0.02 0.19 -0.40 -0.07 0.00 0.00 0.00 179.25 178.99 1mx7 h LEU 23 N 0.20 0.00 -2.55 0.00 3.38 -1.69 -3.48 115.31 111.17 1mx7 h LEU 23 Ca 0.05 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1mx7 h LEU 23 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1mx7 h LEU 23 CO 0.04 0.05 -0.03 -0.67 0.09 0.00 0.00 178.44 177.92 1mx7 n ASP 24 N -2.31 -6.14 -4.92 -0.43 -0.08 -0.91 -5.07 116.55 96.69 1mx7 n ASP 24 Ca 0.04 -0.01 -0.20 0.00 -1.51 0.00 0.00 54.79 53.11 1mx7 n ASP 24 Cb 0.46 -4.07 -0.02 0.00 2.34 0.00 0.00 41.12 39.82 1mx7 n ASP 24 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1mx7 s VAL 25 N -2.92 3.33 0.95 5.18 -7.23 -1.24 -5.08 120.40 113.39 1mx7 s VAL 25 Ca 0.02 -1.20 -0.13 0.00 -1.81 0.00 0.00 61.98 58.86 1mx7 s VAL 25 Cb -0.00 -3.15 0.02 0.00 0.56 0.00 0.00 36.38 33.81 1mx7 s VAL 25 CO 0.53 -0.09 0.32 0.59 -0.31 0.00 0.00 175.10 176.15 1mx7 n ASN 26 N -1.58 -2.36 0.16 4.85 4.13 -1.26 -4.93 115.26 114.28 1mx7 n ASN 26 Ca 0.02 0.32 0.04 0.00 1.68 0.00 0.00 54.58 56.64 1mx7 n ASN 26 Cb 0.60 -1.18 0.18 0.00 -1.54 0.00 0.00 39.78 37.84 1mx7 n ASN 26 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1mx7 h VAL 27 N -1.53 0.88 -0.03 2.41 2.07 -2.01 -3.25 116.25 114.79 1mx7 h VAL 27 Ca -0.43 -1.90 -0.19 0.00 0.82 0.00 0.00 66.70 65.00 1mx7 h VAL 27 Cb 1.28 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 1mx7 h VAL 27 CO 0.33 0.44 -0.81 0.00 0.02 0.00 0.00 177.57 177.55 1mx7 h ALA 28 N 1.55 0.57 0.00 1.67 0.00 -2.02 -3.17 119.26 117.86 1mx7 h ALA 28 Ca -0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 54.91 54.18 1mx7 h ALA 28 Cb 1.15 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1mx7 h ALA 28 CO 0.06 0.84 -0.27 1.25 0.00 0.00 0.00 179.25 181.12 1mx7 h LEU 29 N 0.17 0.00 -0.34 0.00 5.85 -1.93 -2.86 115.31 116.20 1mx7 h LEU 29 Ca -0.04 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1mx7 h LEU 29 Cb 1.41 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 1mx7 h LEU 29 CO 0.13 0.27 -0.19 -0.09 -0.34 0.00 0.00 178.44 178.22 1mx7 h ARG 30 N 0.00 0.00 -0.06 1.25 2.43 -1.62 -3.10 114.38 113.28 1mx7 h ARG 30 Ca -0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1mx7 h ARG 30 Cb 0.65 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1mx7 h ARG 30 CO 0.04 0.19 -0.25 -0.22 -1.51 0.00 0.00 179.97 178.22 1mx7 h LYS 31 N 0.00 0.27 0.68 0.20 1.63 -1.56 -3.11 116.57 114.69 1mx7 h LYS 31 Ca -0.00 -0.21 -0.03 0.00 -0.85 0.00 0.00 60.65 59.55 1mx7 h LYS 31 Cb 1.03 0.04 0.01 0.00 -0.60 0.00 0.00 32.23 32.70 1mx7 h LYS 31 CO 0.03 0.85 -0.33 0.82 -3.45 0.00 0.00 179.45 177.37 1mx7 h ILE 32 N -0.25 0.29 -0.04 2.00 1.08 -1.63 -3.35 117.51 115.61 1mx7 h ILE 32 Ca -0.01 -0.12 0.01 0.00 -0.39 0.00 0.00 64.86 64.35 1mx7 h ILE 32 Cb 0.89 0.33 -0.02 0.00 -3.07 0.00 0.00 36.82 34.94 1mx7 h ILE 32 CO 0.05 0.01 -0.21 0.00 -0.69 0.00 0.00 178.15 177.32 1mx7 h ALA 33 N -0.73 -0.62 -0.16 1.87 0.00 -1.68 -3.37 119.26 114.57 1mx7 h ALA 33 Ca -0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1mx7 h ALA 33 Cb 0.72 0.72 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1mx7 h ALA 33 CO 0.15 -0.69 0.02 -1.71 0.00 0.00 0.00 179.25 177.02 1mx7 n ASN 34 N -3.64 1.44 0.00 0.00 5.15 -1.17 -1.19 115.26 115.84 1mx7 n ASN 34 Ca -0.02 -2.15 0.00 0.00 -0.60 0.00 0.00 54.58 51.81 1mx7 n ASN 34 Cb 0.14 -1.70 0.00 0.00 -0.53 0.00 0.00 39.78 37.69 1mx7 n ASN 34 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mx7 n LEU 35 N 19.51 0.00 -4.79 1.20 -0.00 -1.26 -4.97 117.00 126.70 1mx7 n LEU 35 Ca 0.43 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 56.07 1mx7 n LEU 35 Cb 0.46 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.81 1mx7 n LEU 35 CO 0.58 0.00 0.66 -0.76 -0.00 0.00 0.00 177.39 177.87 1mx7 s LEU 36 N 0.00 4.27 -0.28 1.47 1.43 -0.34 -5.05 118.68 120.18 1mx7 s LEU 36 Ca 0.00 1.85 -0.00 0.00 -1.03 0.00 0.00 54.13 54.94 1mx7 s LEU 36 Cb 0.00 -4.10 0.09 0.00 0.03 0.00 0.00 46.19 42.21 1mx7 s LEU 36 CO 0.00 -0.15 0.06 -0.54 0.23 0.00 0.00 176.35 175.95 1mx7 s LYS 37 N -2.24 0.94 0.48 1.70 1.02 -1.26 -5.06 119.74 115.32 1mx7 s LYS 37 Ca 0.52 -1.06 -0.13 0.00 0.02 0.00 0.00 55.97 55.32 1mx7 s LYS 37 Cb -0.18 -2.25 -0.07 0.00 -0.52 0.00 0.00 37.83 34.81 1mx7 s LYS 37 CO 0.23 -0.87 0.90 -1.25 -0.92 0.00 0.00 175.35 173.44 1mx7 s PRO 38 N 1.53 3.82 0.25 -1.68 0.04 -1.26 -4.97 135.00 132.73 1mx7 s PRO 38 Ca 0.06 0.71 0.08 0.00 0.04 0.00 0.00 61.00 61.89 1mx7 s PRO 38 Cb -0.18 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 1mx7 s PRO 38 CO -0.18 -0.22 0.13 0.16 0.04 0.00 0.00 177.00 176.94 1mx7 s ASP 39 N -3.29 5.24 -0.20 6.66 -4.77 -1.26 -4.31 116.67 114.75 1mx7 s ASP 39 Ca 0.55 -0.35 -0.04 0.00 -3.30 0.00 0.00 52.55 49.41 1mx7 s ASP 39 Cb -0.10 -1.25 0.09 0.00 -1.09 0.00 0.00 42.92 40.57 1mx7 s ASP 39 CO 0.35 -0.01 0.21 -0.54 0.70 0.00 0.00 175.17 175.87 1mx7 s LYS 40 N -3.71 0.18 0.07 2.11 1.02 -1.26 -3.79 119.74 114.36 1mx7 s LYS 40 Ca 0.32 0.18 -0.06 0.00 0.02 0.00 0.00 55.97 56.43 1mx7 s LYS 40 Cb -0.08 -1.25 -0.05 0.00 -0.52 0.00 0.00 37.83 35.93 1mx7 s LYS 40 CO 0.23 -0.66 0.33 -2.00 -0.92 0.00 0.00 175.35 172.34 1mx7 s GLU 41 N 2.31 3.63 -0.01 1.68 -6.30 -1.20 -4.15 118.70 114.67 1mx7 s GLU 41 Ca 0.07 -0.04 0.03 0.00 -2.50 0.00 0.00 54.97 52.53 1mx7 s GLU 41 Cb -0.16 -2.99 -0.01 0.00 0.00 0.00 0.00 34.13 30.98 1mx7 s GLU 41 CO -0.12 0.57 -0.10 0.42 0.02 0.00 0.00 175.26 176.05 1mx7 s ILE 42 N -1.45 0.79 -0.16 -3.70 1.01 -1.26 -2.90 121.20 113.53 1mx7 s ILE 42 Ca 0.33 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.55 1mx7 s ILE 42 Cb -0.13 -0.67 0.05 0.00 0.01 0.00 0.00 42.46 41.72 1mx7 s ILE 42 CO 0.20 0.23 -0.01 -0.69 0.00 0.00 0.00 174.94 174.67 1mx7 s VAL 43 N -0.18 0.77 -0.08 2.92 1.01 -0.92 -3.22 120.40 120.71 1mx7 s VAL 43 Ca 0.03 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1mx7 s VAL 43 Cb -0.04 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1mx7 s VAL 43 CO -0.00 0.02 -0.17 -1.58 0.00 0.00 0.00 175.10 173.37 1mx7 s GLN 44 N 1.77 2.82 -0.28 2.72 -0.44 -1.26 -0.62 119.66 124.37 1mx7 s GLN 44 Ca 0.01 -0.75 -0.03 0.00 -2.50 0.00 0.00 55.36 52.08 1mx7 s GLN 44 Cb -0.15 -2.40 0.11 0.00 -1.64 0.00 0.00 33.01 28.92 1mx7 s GLN 44 CO -0.07 0.41 0.18 0.34 0.50 0.00 0.00 175.29 176.65 1mx7 s ASP 45 N -0.19 2.76 1.94 6.67 2.15 0.91 -4.86 116.67 126.04 1mx7 s ASP 45 Ca -0.01 -1.02 0.00 0.00 0.43 0.00 0.00 52.55 51.96 1mx7 s ASP 45 Cb -0.13 -0.03 0.00 0.00 -0.30 0.00 0.00 42.92 42.45 1mx7 s ASP 45 CO 0.03 -0.41 0.00 0.61 -0.17 0.00 0.00 175.17 175.23 1mx7 n GLY 46 N 5.27 4.18 2.21 2.66 0.00 -1.26 -1.48 105.19 116.78 1mx7 n GLY 46 Ca -0.05 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1mx7 n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mx7 n ASP 47 N 8.48 6.33 -3.72 1.61 -0.08 -1.26 -4.86 116.55 123.05 1mx7 n ASP 47 Ca 0.00 -3.75 -0.12 0.00 -1.51 0.00 0.00 54.79 49.41 1mx7 n ASP 47 Cb 0.00 -0.86 -0.13 0.00 2.34 0.00 0.00 41.12 42.47 1mx7 n ASP 47 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 1mx7 s HIS 48 N -3.67 -0.38 0.11 -0.67 3.76 -0.55 -4.02 115.29 109.87 1mx7 s HIS 48 Ca 0.61 0.88 0.03 0.00 -0.15 0.00 0.00 55.06 56.43 1mx7 s HIS 48 Cb 0.49 0.08 -0.04 0.00 1.11 0.00 0.00 32.58 34.22 1mx7 s HIS 48 CO 0.02 -0.26 -0.09 1.41 -0.85 0.00 0.00 174.74 174.97 1mx7 s MET 49 N 1.36 0.88 -0.02 1.40 0.00 0.48 -0.07 119.30 123.34 1mx7 s MET 49 Ca -0.09 -1.28 0.02 0.00 0.00 0.00 0.00 55.69 54.34 1mx7 s MET 49 Cb -0.10 -0.42 0.00 0.00 0.00 0.00 0.00 34.83 34.32 1mx7 s MET 49 CO -0.09 0.04 -0.07 0.42 0.00 0.00 0.00 175.02 175.32 1mx7 s ILE 50 N -3.08 0.58 0.03 10.11 1.01 0.21 0.11 121.20 130.17 1mx7 s ILE 50 Ca 0.10 -0.26 0.08 0.00 0.00 0.00 0.00 60.65 60.57 1mx7 s ILE 50 Cb 0.01 -0.53 -0.03 0.00 0.01 0.00 0.00 42.46 41.93 1mx7 s ILE 50 CO -0.02 0.19 -0.24 -0.63 0.00 0.00 0.00 174.94 174.25 1mx7 s ILE 51 N 0.19 1.90 -0.20 2.92 1.09 -0.37 -2.16 121.20 124.57 1mx7 s ILE 51 Ca -0.02 -1.25 -0.02 0.00 -1.10 0.00 0.00 60.65 58.25 1mx7 s ILE 51 Cb -0.07 -1.63 0.06 0.00 -1.06 0.00 0.00 42.46 39.76 1mx7 s ILE 51 CO -0.00 0.33 0.02 -0.13 -0.10 0.00 0.00 174.94 175.06 1mx7 s ARG 52 N -1.10 0.78 -0.18 2.79 0.52 -1.14 -2.67 118.95 117.95 1mx7 s ARG 52 Ca 0.10 -0.50 -0.20 0.00 -0.52 0.00 0.00 55.73 54.61 1mx7 s ARG 52 Cb -0.09 -2.18 -0.03 0.00 0.52 0.00 0.00 34.95 33.17 1mx7 s ARG 52 CO 0.01 -0.64 0.57 0.99 0.02 0.00 0.00 175.30 176.26 1mx7 s THR 53 N 1.79 5.08 -0.24 0.02 2.01 -1.25 -3.23 115.64 119.82 1mx7 s THR 53 Ca -0.02 1.09 0.10 0.00 0.31 0.00 0.00 61.69 63.17 1mx7 s THR 53 Cb -0.17 -3.90 0.43 0.00 0.01 0.00 0.00 72.50 68.87 1mx7 s THR 53 CO -0.08 0.18 1.21 0.18 -0.69 0.00 0.00 174.62 175.42 1mx7 n LEU 54 N 4.66 3.48 -4.58 4.42 4.77 -1.25 -4.41 117.00 124.09 1mx7 n LEU 54 Ca -0.03 -4.19 -0.30 0.00 -0.03 0.00 0.00 56.01 51.45 1mx7 n LEU 54 Cb 0.50 -0.46 0.24 0.00 -2.33 0.00 0.00 43.42 41.38 1mx7 n LEU 54 CO 0.43 1.65 0.61 -0.55 -1.33 0.00 0.00 177.39 178.21 1mx7 s SER 55 N -3.36 0.83 -0.86 -1.43 0.15 -1.26 -4.80 113.70 102.97 1mx7 s SER 55 Ca 0.43 0.64 0.01 0.00 0.70 0.00 0.00 55.95 57.72 1mx7 s SER 55 Cb 0.38 -0.88 0.31 0.00 -1.71 0.00 0.00 66.02 64.12 1mx7 s SER 55 CO -0.03 -4.18 1.33 0.41 1.20 0.00 0.00 173.24 171.97 1mx7 n THR 56 N -4.80 4.50 0.06 6.45 -1.04 -1.26 -4.58 114.28 113.61 1mx7 n THR 56 Ca 0.13 -5.74 0.00 0.00 -2.04 0.00 0.00 64.05 56.40 1mx7 n THR 56 Cb 0.59 -1.75 0.00 0.00 -1.82 0.00 0.00 70.33 67.36 1mx7 n THR 56 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1mx7 n PHE 57 N 0.40 -2.73 -4.04 -1.42 7.35 -1.26 -5.10 117.46 110.67 1mx7 n PHE 57 Ca 0.35 0.44 -0.33 0.00 -0.76 0.00 0.00 57.45 57.15 1mx7 n PHE 57 Cb 0.34 1.37 -0.15 0.00 0.35 0.00 0.00 39.48 41.39 1mx7 n PHE 57 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1mx7 s ARG 58 N -1.78 2.31 -0.57 -4.13 0.52 -1.26 -5.06 118.95 108.99 1mx7 s ARG 58 Ca 0.00 -1.31 -0.01 0.00 -0.52 0.00 0.00 55.73 53.89 1mx7 s ARG 58 Cb 0.00 -2.94 0.15 0.00 0.52 0.00 0.00 34.95 32.67 1mx7 s ARG 58 CO 0.00 -0.57 0.36 -0.80 0.02 0.00 0.00 175.30 174.32 1mx7 s ASN 59 N 1.14 4.99 -0.11 0.23 -0.87 -1.26 -4.51 114.94 114.54 1mx7 s ASN 59 Ca -0.08 -2.81 -0.01 0.00 -1.57 0.00 0.00 52.86 48.39 1mx7 s ASN 59 Cb -0.20 -1.79 -0.03 0.00 -0.02 0.00 0.00 41.25 39.22 1mx7 s ASN 59 CO -0.04 -0.35 -0.07 -0.72 -2.57 0.00 0.00 177.10 173.35 1mx7 s TYR 60 N 0.00 2.93 0.23 2.20 -0.85 -1.26 -5.03 117.35 115.58 1mx7 s TYR 60 Ca 0.16 -0.24 0.09 0.00 -0.52 0.00 0.00 57.07 56.56 1mx7 s TYR 60 Cb -0.22 -1.83 -0.04 0.00 0.38 0.00 0.00 41.96 40.25 1mx7 s TYR 60 CO -0.03 0.08 0.00 0.42 -1.52 0.00 0.00 175.55 174.50 1mx7 s ILE 61 N -0.14 3.56 0.06 -3.49 1.09 -1.26 -3.92 121.20 117.11 1mx7 s ILE 61 Ca 0.01 -1.73 0.03 0.00 -1.10 0.00 0.00 60.65 57.86 1mx7 s ILE 61 Cb -0.13 -2.87 -0.03 0.00 -1.06 0.00 0.00 42.46 38.37 1mx7 s ILE 61 CO 0.03 -0.28 -0.09 -0.04 -0.10 0.00 0.00 174.94 174.46 1mx7 s MET 62 N -3.43 0.65 -0.39 2.79 -1.94 -1.09 -5.03 119.30 110.85 1mx7 s MET 62 Ca 0.30 -0.91 0.01 0.00 -1.71 0.00 0.00 55.69 53.38 1mx7 s MET 62 Cb -0.07 -0.38 0.14 0.00 2.01 0.00 0.00 34.83 36.52 1mx7 s MET 62 CO 0.19 0.06 0.22 0.34 -0.01 0.00 0.00 175.02 175.83 1mx7 s ASP 63 N -1.90 3.36 0.79 3.03 -1.08 -1.26 -1.23 116.67 118.38 1mx7 s ASP 63 Ca -0.04 -2.38 -0.11 0.00 -0.52 0.00 0.00 52.55 49.51 1mx7 s ASP 63 Cb -0.07 -0.74 0.09 0.00 -1.46 0.00 0.00 42.92 40.74 1mx7 s ASP 63 CO -0.00 -0.29 1.14 -0.36 0.52 0.00 0.00 175.17 176.18 1mx7 s PHE 64 N 0.74 2.76 -0.35 -5.34 0.08 0.30 -4.88 117.98 111.29 1mx7 s PHE 64 Ca 0.17 0.59 0.02 0.00 0.12 0.00 0.00 56.93 57.83 1mx7 s PHE 64 Cb -0.24 -3.47 0.15 0.00 -0.57 0.00 0.00 43.02 38.90 1mx7 s PHE 64 CO -0.01 -1.77 0.34 1.14 -0.10 0.00 0.00 175.22 174.83 1mx7 s GLN 65 N -5.51 0.54 0.44 0.44 0.00 -1.26 -0.39 119.66 113.93 1mx7 s GLN 65 Ca 0.63 -0.70 -0.22 0.00 -0.00 0.00 0.00 55.36 55.06 1mx7 s GLN 65 Cb -0.10 -0.76 -0.11 0.00 0.00 0.00 0.00 33.01 32.04 1mx7 s GLN 65 CO 0.48 -1.15 0.75 0.28 0.00 0.00 0.00 175.29 175.65 1mx7 n VAL 66 N 4.53 2.20 -0.51 3.63 0.31 -1.26 -1.81 118.33 125.43 1mx7 n VAL 66 Ca 0.07 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1mx7 n VAL 66 Cb 0.45 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.56 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 1.53 0.80 3.64 2.92 0.00 -0.04 -4.92 105.19 109.11 1mx7 n GLY 67 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1mx7 n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mx7 s LYS 68 N -0.35 2.54 1.06 1.61 2.20 -0.75 -4.98 119.74 121.07 1mx7 s LYS 68 Ca 0.00 -0.78 -0.11 0.00 -0.36 0.00 0.00 55.97 54.72 1mx7 s LYS 68 Cb 0.00 -2.52 0.23 0.00 -1.51 0.00 0.00 37.83 34.03 1mx7 s LYS 68 CO 0.00 0.57 1.08 -2.00 -0.36 0.00 0.00 175.35 174.64 1mx7 s GLU 69 N -1.84 -0.11 -0.30 4.03 -6.30 -1.26 -4.23 118.70 108.69 1mx7 s GLU 69 Ca 0.21 1.19 -0.12 0.00 -2.50 0.00 0.00 54.97 53.75 1mx7 s GLU 69 Cb -0.11 -1.62 0.16 0.00 0.00 0.00 0.00 34.13 32.56 1mx7 s GLU 69 CO 0.12 -3.28 0.87 0.12 0.02 0.00 0.00 175.26 173.11 1mx7 s PHE 70 N -2.53 -0.93 0.55 5.30 5.36 0.85 -4.97 117.98 121.62 1mx7 s PHE 70 Ca 0.68 1.42 -0.17 0.00 -0.96 0.00 0.00 56.93 57.90 1mx7 s PHE 70 Cb -0.24 0.49 -0.06 0.00 -0.34 0.00 0.00 43.02 42.86 1mx7 s PHE 70 CO 0.62 -0.47 1.02 -1.83 -1.46 0.00 0.00 175.22 173.10 1mx7 s GLU 71 N 2.67 3.65 -0.40 10.12 -1.05 -1.26 -1.94 118.70 130.49 1mx7 s GLU 71 Ca -0.00 1.11 0.07 0.00 -0.15 0.00 0.00 54.97 56.00 1mx7 s GLU 71 Cb -0.09 -2.08 0.23 0.00 -0.44 0.00 0.00 34.13 31.75 1mx7 s GLU 71 CO -0.17 -0.53 0.49 -1.91 0.95 0.00 0.00 175.26 174.09 1mx7 n GLU 72 N -1.72 0.59 -2.58 -4.83 2.13 -1.25 -4.90 120.64 108.09 1mx7 n GLU 72 Ca 0.08 -3.14 -0.43 0.00 0.66 0.00 0.00 57.16 54.33 1mx7 n GLU 72 Cb 0.53 -1.33 -0.02 0.00 0.27 0.00 0.00 31.44 30.90 1mx7 n GLU 72 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1mx7 s ASP 73 N -0.90 7.08 -0.83 4.31 1.01 -1.26 -4.16 116.67 121.92 1mx7 s ASP 73 Ca 0.34 1.54 0.02 0.00 0.71 0.00 0.00 52.55 55.16 1mx7 s ASP 73 Cb 0.14 -2.54 0.29 0.00 1.01 0.00 0.00 42.92 41.82 1mx7 s ASP 73 CO -0.13 -0.65 1.14 0.18 0.21 0.00 0.00 175.17 175.92 1mx7 n LEU 74 N 6.05 5.17 -3.70 1.23 4.77 -0.73 -4.94 117.00 124.85 1mx7 n LEU 74 Ca 0.12 -5.39 -0.41 0.00 -0.03 0.00 0.00 56.01 50.29 1mx7 n LEU 74 Cb 0.46 -0.92 -0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1mx7 n LEU 74 CO 0.53 1.97 2.23 0.35 -1.33 0.00 0.00 177.39 181.15 1mx7 n THR 75 N 0.78 4.56 0.00 -5.08 -2.24 -1.26 -1.54 114.28 109.50 1mx7 n THR 75 Ca 0.30 -4.17 0.00 0.00 -2.27 0.00 0.00 64.05 57.92 1mx7 n THR 75 Cb 0.36 -2.30 0.00 0.00 -2.10 0.00 0.00 70.33 66.29 1mx7 n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mx7 n GLY 76 N 2.60 -0.04 0.03 3.38 0.00 -1.26 -4.90 105.19 105.01 1mx7 n GLY 76 Ca 0.50 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.85 0.44 -1.65 -0.61 5.41 -1.26 -4.85 119.36 114.99 1mx7 n ILE 77 Ca 0.00 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.47 1mx7 n ILE 77 Cb 0.00 -0.78 0.00 0.00 -0.71 0.00 0.00 39.64 38.15 1mx7 n ILE 77 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1mx7 n ASP 78 N -2.23 0.00 -3.19 4.38 5.75 -1.25 -4.96 116.55 115.05 1mx7 n ASP 78 Ca -0.10 -1.36 -0.24 0.00 -0.01 0.00 0.00 54.79 53.07 1mx7 n ASP 78 Cb 0.70 -0.07 0.02 0.00 -1.03 0.00 0.00 41.12 40.74 1mx7 n ASP 78 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1mx7 n ASP 79 N 0.00 -5.32 -2.37 -1.12 9.92 -0.59 -5.00 116.55 112.07 1mx7 n ASP 79 Ca 0.00 0.02 -0.12 0.00 -0.53 0.00 0.00 54.79 54.16 1mx7 n ASP 79 Cb 0.57 -1.45 -0.04 0.00 -0.64 0.00 0.00 41.12 39.56 1mx7 n ASP 79 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1mx7 n ARG 80 N 0.30 0.29 -3.45 -1.24 3.00 -1.00 -4.95 116.66 109.60 1mx7 n ARG 80 Ca -0.05 -2.03 -0.14 0.00 -0.00 0.00 0.00 57.85 55.63 1mx7 n ARG 80 Cb 0.57 1.71 -0.03 0.00 0.00 0.00 0.00 32.46 34.71 1mx7 n ARG 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1mx7 s LYS 81 N -2.79 1.20 0.16 -0.14 -2.85 -1.26 -1.77 119.74 112.29 1mx7 s LYS 81 Ca 0.24 -0.24 -0.14 0.00 -1.00 0.00 0.00 55.97 54.83 1mx7 s LYS 81 Cb 0.01 0.56 0.05 0.00 -2.06 0.00 0.00 37.83 36.39 1mx7 s LYS 81 CO 0.17 -0.48 0.68 0.00 0.10 0.00 0.00 175.35 175.81 1mx7 s MET 83 N -2.04 1.18 -0.05 0.00 -1.94 -1.22 -3.81 119.30 111.41 1mx7 s MET 83 Ca 0.15 -1.70 -0.12 0.00 -1.71 0.00 0.00 55.69 52.31 1mx7 s MET 83 Cb -0.02 -2.48 -0.05 0.00 2.01 0.00 0.00 34.83 34.29 1mx7 s MET 83 CO 0.05 -1.05 0.31 0.99 -0.01 0.00 0.00 175.02 175.30 1mx7 s THR 84 N 0.86 5.22 -0.33 2.05 2.01 -0.82 -1.19 115.64 123.45 1mx7 s THR 84 Ca 0.13 0.60 -0.01 0.00 0.31 0.00 0.00 61.69 62.72 1mx7 s THR 84 Cb -0.21 -3.60 0.11 0.00 0.01 0.00 0.00 72.50 68.81 1mx7 s THR 84 CO -0.11 0.58 0.13 -0.89 -0.69 0.00 0.00 174.62 173.65 1mx7 s THR 85 N -0.95 0.79 -0.76 -0.82 2.01 -1.26 -0.11 115.64 114.54 1mx7 s THR 85 Ca 0.20 -1.54 -0.26 0.00 0.31 0.00 0.00 61.69 60.40 1mx7 s THR 85 Cb -0.15 -1.59 0.01 0.00 0.01 0.00 0.00 72.50 70.78 1mx7 s THR 85 CO 0.09 -0.75 1.50 -0.69 -0.69 0.00 0.00 174.62 174.09 1mx7 s VAL 86 N 1.42 3.63 0.63 3.82 1.01 -1.26 -4.28 120.40 125.37 1mx7 s VAL 86 Ca 0.12 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.21 1mx7 s VAL 86 Cb -0.19 -4.62 0.05 0.00 0.00 0.00 0.00 36.38 31.62 1mx7 s VAL 86 CO -0.20 -1.56 0.89 -0.55 0.00 0.00 0.00 175.10 173.68 1mx7 s SER 87 N 5.35 5.02 -0.38 3.32 0.15 -0.99 -0.86 113.70 125.30 1mx7 s SER 87 Ca 0.47 0.18 0.03 0.00 0.70 0.00 0.00 55.95 57.33 1mx7 s SER 87 Cb -0.08 -0.93 0.11 0.00 -1.71 0.00 0.00 66.02 63.41 1mx7 s SER 87 CO 0.12 -1.39 0.13 0.86 1.20 0.00 0.00 173.24 174.16 1mx7 s TRP 88 N -3.00 2.97 0.04 3.44 -0.11 -1.26 -3.65 118.94 117.37 1mx7 s TRP 88 Ca 0.59 -2.69 -0.20 0.00 1.22 0.00 0.00 56.10 55.02 1mx7 s TRP 88 Cb -0.10 -2.51 -0.10 0.00 -1.50 0.00 0.00 33.47 29.26 1mx7 s TRP 88 CO 0.41 -0.87 1.31 0.22 -4.62 0.00 0.00 176.95 173.40 1mx7 h ASP 89 N 7.38 -0.71 0.00 5.86 1.82 -1.87 -3.48 116.42 125.42 1mx7 h ASP 89 Ca -0.07 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 1mx7 h ASP 89 Cb 0.98 0.21 0.00 0.00 0.68 0.00 0.00 39.33 41.20 1mx7 h ASP 89 CO 0.54 -0.41 0.00 0.61 -1.61 0.00 0.00 179.24 178.37 1mx7 n GLY 90 N -1.34 3.29 2.42 -0.78 0.00 -1.26 -4.95 105.19 102.56 1mx7 n GLY 90 Ca -0.08 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 0.00 -4.20 1.61 2.03 -1.26 -4.97 116.55 109.76 1mx7 n ASP 91 Ca 0.00 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.05 1mx7 n ASP 91 Cb 0.00 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.24 1mx7 n ASP 91 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1mx7 s LYS 92 N 0.00 1.59 -0.47 -0.67 1.02 -1.26 -4.84 119.74 115.11 1mx7 s LYS 92 Ca 0.00 -0.69 -0.21 0.00 0.02 0.00 0.00 55.97 55.08 1mx7 s LYS 92 Cb 0.00 -1.53 0.03 0.00 -0.52 0.00 0.00 37.83 35.82 1mx7 s LYS 92 CO 0.00 0.41 0.70 -1.17 -0.92 0.00 0.00 175.35 174.38 1mx7 s LEU 93 N -0.44 4.51 -0.03 3.17 0.20 -1.17 -3.50 118.68 121.43 1mx7 s LEU 93 Ca 0.07 -0.44 0.07 0.00 0.69 0.00 0.00 54.13 54.52 1mx7 s LEU 93 Cb -0.08 -2.72 -0.02 0.00 -0.43 0.00 0.00 46.19 42.95 1mx7 s LEU 93 CO -0.01 -0.89 -0.24 -1.10 -0.29 0.00 0.00 176.35 173.82 1mx7 s GLN 94 N 3.02 2.09 0.04 1.98 -0.21 -1.24 -2.89 119.66 122.45 1mx7 s GLN 94 Ca 0.23 -0.86 0.01 0.00 0.02 0.00 0.00 55.36 54.76 1mx7 s GLN 94 Cb -0.15 -1.94 -0.03 0.00 1.00 0.00 0.00 33.01 31.89 1mx7 s GLN 94 CO 0.18 0.47 -0.05 0.00 -2.12 0.00 0.00 175.29 173.78 1mx7 n VAL 96 N 1.14 1.07 -1.54 0.00 0.31 -1.26 -4.11 118.33 113.95 1mx7 n VAL 96 Ca -0.21 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1mx7 n VAL 96 Cb 0.57 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1mx7 n VAL 96 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1mx7 n GLN 97 N -3.81 -2.41 -1.70 5.55 10.64 -1.26 -3.09 117.38 121.29 1mx7 n GLN 97 Ca -0.18 2.01 -0.41 0.00 -1.83 0.00 0.00 57.00 56.59 1mx7 n GLN 97 Cb 0.49 -2.33 -0.01 0.00 -0.86 0.00 0.00 30.24 27.53 1mx7 n GLN 97 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 1mx7 n LYS 98 N 0.84 3.20 -3.47 2.61 4.81 -0.33 -4.62 118.16 121.21 1mx7 n LYS 98 Ca 0.00 -2.63 -0.33 0.00 -0.87 0.00 0.00 58.31 54.48 1mx7 n LYS 98 Cb 0.00 -3.11 -0.05 0.00 0.02 0.00 0.00 35.03 31.89 1mx7 n LYS 98 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1mx7 s GLY 99 N 2.61 2.33 0.59 3.14 0.00 -1.26 -3.42 107.32 111.30 1mx7 s GLY 99 Ca 0.52 -0.30 0.29 0.00 0.00 0.00 0.00 44.72 45.23 1mx7 s GLY 99 CO -0.07 -0.13 1.72 1.05 0.00 0.00 0.00 173.10 175.67 1mx7 h GLU 100 N 3.04 0.00 0.00 2.90 4.11 -1.93 -3.42 114.58 119.28 1mx7 h GLU 100 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1mx7 h GLU 100 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1mx7 h GLU 100 CO 0.68 0.00 0.00 1.17 0.07 0.00 0.00 179.01 180.93 1mx7 n LYS 101 N -3.61 1.18 -0.01 1.06 4.81 -1.26 -5.03 118.16 115.30 1mx7 n LYS 101 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1mx7 n LYS 101 Cb 0.98 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 36.00 1mx7 n LYS 101 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1mx7 n GLU 102 N 0.00 1.78 -0.06 1.64 1.02 -1.26 -4.80 120.64 118.95 1mx7 n GLU 102 Ca 0.00 -0.02 0.02 0.00 -0.02 0.00 0.00 57.16 57.15 1mx7 n GLU 102 Cb 0.00 -1.08 0.06 0.00 -0.02 0.00 0.00 31.44 30.40 1mx7 n GLU 102 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mx7 n GLY 103 N 2.56 3.02 3.67 0.62 0.00 -1.26 -4.84 105.19 108.96 1mx7 n GLY 103 Ca -0.03 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.23 1.69 0.00 1.61 5.12 -1.26 -3.67 116.66 119.92 1mx7 n ARG 104 Ca 0.05 0.60 0.00 0.00 -1.93 0.00 0.00 57.85 56.57 1mx7 n ARG 104 Cb 0.33 -2.26 0.00 0.00 -1.16 0.00 0.00 32.46 29.37 1mx7 n ARG 104 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1mx7 n GLY 105 N 0.95 3.45 3.61 -0.13 0.00 -1.18 -4.61 105.19 107.28 1mx7 n GLY 105 Ca 0.08 -1.66 -0.28 0.00 0.00 0.00 0.00 46.02 44.16 1mx7 n GLY 105 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1mx7 s TRP 106 N -1.60 1.91 -0.09 1.61 1.48 -1.26 -3.34 118.94 117.66 1mx7 s TRP 106 Ca 0.00 -1.06 -0.05 0.00 -1.06 0.00 0.00 56.10 53.93 1mx7 s TRP 106 Cb 0.00 -1.41 0.04 0.00 -1.16 0.00 0.00 33.47 30.94 1mx7 s TRP 106 CO 0.00 0.02 0.22 0.99 -4.06 0.00 0.00 176.95 174.11 1mx7 s THR 107 N -3.04 -0.03 -0.11 0.66 2.01 0.37 -3.86 115.64 111.63 1mx7 s THR 107 Ca 0.20 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.33 1mx7 s THR 107 Cb 0.04 -0.33 0.01 0.00 0.01 0.00 0.00 72.50 72.23 1mx7 s THR 107 CO 0.11 0.05 -0.17 -1.58 -0.69 0.00 0.00 174.62 172.33 1mx7 s GLN 108 N 0.93 2.43 -0.00 4.92 -0.44 -1.14 -0.90 119.66 125.45 1mx7 s GLN 108 Ca -0.07 -0.64 -0.08 0.00 -2.50 0.00 0.00 55.36 52.07 1mx7 s GLN 108 Cb -0.08 -1.99 0.01 0.00 -1.64 0.00 0.00 33.01 29.30 1mx7 s GLN 108 CO -0.06 -0.01 0.16 1.67 0.50 0.00 0.00 175.29 177.56 1mx7 s TRP 109 N 0.82 -0.00 0.20 1.67 -2.14 -1.21 -3.04 118.94 115.24 1mx7 s TRP 109 Ca -0.09 -0.04 -0.13 0.00 2.66 0.00 0.00 56.10 58.49 1mx7 s TRP 109 Cb -0.16 -0.02 -0.07 0.00 -3.10 0.00 0.00 33.47 30.12 1mx7 s TRP 109 CO 0.01 -0.29 0.58 0.42 -2.66 0.00 0.00 176.95 175.00 1mx7 s ILE 110 N -1.29 4.85 -0.51 0.66 1.01 -1.26 -1.92 121.20 122.73 1mx7 s ILE 110 Ca -0.14 0.74 0.06 0.00 0.00 0.00 0.00 60.65 61.31 1mx7 s ILE 110 Cb -0.07 -3.69 0.21 0.00 0.01 0.00 0.00 42.46 38.92 1mx7 s ILE 110 CO 0.02 0.09 0.51 -0.62 0.00 0.00 0.00 174.94 174.94 1mx7 n GLU 111 N 0.36 1.16 -3.35 2.79 1.02 0.11 -4.93 120.64 117.80 1mx7 n GLU 111 Ca -0.02 -3.77 -0.28 0.00 -0.02 0.00 0.00 57.16 53.06 1mx7 n GLU 111 Cb 0.52 -1.79 0.03 0.00 -0.02 0.00 0.00 31.44 30.18 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 1.83 -0.19 2.23 0.62 0.00 -1.26 -2.72 105.19 105.71 1mx7 n GLY 112 Ca 0.25 1.00 -0.09 0.00 0.00 0.00 0.00 46.02 47.18 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 0.04 -3.77 -3.50 1.61 8.00 -1.26 -5.00 116.55 112.66 1mx7 n ASP 113 Ca -0.04 0.14 -0.23 0.00 0.71 0.00 0.00 54.79 55.36 1mx7 n ASP 113 Cb 0.61 -2.45 -0.13 0.00 -0.02 0.00 0.00 41.12 39.12 1mx7 n ASP 113 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1mx7 s GLU 114 N -3.42 0.21 0.07 -1.24 2.02 -1.10 -1.88 118.70 113.35 1mx7 s GLU 114 Ca 0.00 -0.23 -0.31 0.00 0.02 0.00 0.00 54.97 54.46 1mx7 s GLU 114 Cb 0.00 -1.11 -0.09 0.00 0.10 0.00 0.00 34.13 33.03 1mx7 s GLU 114 CO 0.00 -0.91 1.74 -0.51 0.02 0.00 0.00 175.26 175.60 1mx7 s LEU 115 N 2.22 4.38 -0.31 1.80 1.02 -1.26 -0.71 118.68 125.83 1mx7 s LEU 115 Ca 0.08 2.56 -0.02 0.00 0.02 0.00 0.00 54.13 56.77 1mx7 s LEU 115 Cb -0.15 -3.56 0.10 0.00 0.02 0.00 0.00 46.19 42.60 1mx7 s LEU 115 CO -0.28 -0.95 0.11 -2.28 0.02 0.00 0.00 176.35 172.98 1mx7 s HIS 116 N 3.06 1.31 0.24 0.29 2.46 -0.81 -0.41 115.29 121.43 1mx7 s HIS 116 Ca 0.78 -1.52 -0.12 0.00 0.47 0.00 0.00 55.06 54.67 1mx7 s HIS 116 Cb -0.41 -1.47 -0.08 0.00 -0.13 0.00 0.00 32.58 30.49 1mx7 s HIS 116 CO 0.34 -0.86 0.61 -1.17 -2.47 0.00 0.00 174.74 171.19 1mx7 s LEU 117 N 1.70 4.16 -0.07 8.88 2.96 0.13 -3.29 118.68 133.15 1mx7 s LEU 117 Ca 0.10 1.05 -0.00 0.00 -0.22 0.00 0.00 54.13 55.06 1mx7 s LEU 117 Cb -0.17 -3.74 0.02 0.00 0.50 0.00 0.00 46.19 42.80 1mx7 s LEU 117 CO -0.27 -0.09 -0.03 -0.70 -1.32 0.00 0.00 176.35 173.94 1mx7 s GLU 118 N -2.73 0.87 -0.07 1.98 2.12 -0.08 -1.23 118.70 119.55 1mx7 s GLU 118 Ca 0.48 -0.05 0.04 0.00 0.36 0.00 0.00 54.97 55.80 1mx7 s GLU 118 Cb -0.12 -1.02 0.00 0.00 0.26 0.00 0.00 34.13 33.25 1mx7 s GLU 118 CO 0.20 -0.20 -0.18 -1.64 -0.54 0.00 0.00 175.26 172.90 1mx7 s MET 119 N 1.48 2.15 0.05 4.30 -1.94 -0.28 -0.48 119.30 124.58 1mx7 s MET 119 Ca -0.02 -0.63 0.07 0.00 -1.71 0.00 0.00 55.69 53.40 1mx7 s MET 119 Cb -0.13 -1.74 -0.03 0.00 2.01 0.00 0.00 34.83 34.94 1mx7 s MET 119 CO -0.03 0.15 -0.19 1.03 -0.01 0.00 0.00 175.02 175.96 1mx7 s ARG 120 N 0.35 1.26 -0.24 2.03 0.52 -1.21 -1.98 118.95 119.68 1mx7 s ARG 120 Ca -0.12 -0.93 -0.05 0.00 -0.52 0.00 0.00 55.73 54.11 1mx7 s ARG 120 Cb -0.15 -1.37 0.12 0.00 0.52 0.00 0.00 34.95 34.08 1mx7 s ARG 120 CO 0.05 0.34 0.45 0.00 0.02 0.00 0.00 175.30 176.16 1mx7 s ALA 121 N -0.85 -1.36 -1.25 2.13 0.00 -1.17 -3.93 121.76 115.33 1mx7 s ALA 121 Ca 0.06 1.41 -0.19 0.00 0.00 0.00 0.00 51.96 53.24 1mx7 s ALA 121 Cb -0.09 -1.61 0.01 0.00 0.00 0.00 0.00 23.12 21.44 1mx7 s ALA 121 CO 0.02 -1.03 0.62 -1.91 0.00 0.00 0.00 175.76 173.46 1mx7 n GLU 122 N 5.39 -1.33 0.00 0.00 2.13 -1.26 -2.03 120.64 123.54 1mx7 n GLU 122 Ca -0.06 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.06 1mx7 n GLU 122 Cb 0.50 -3.68 0.00 0.00 0.27 0.00 0.00 31.44 28.52 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 -1.94 3.08 3.80 8.31 0.00 -1.26 -4.92 105.19 112.26 1mx7 n GLY 123 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.63 3.91 -0.41 1.61 1.01 -0.86 -5.03 120.40 118.99 1mx7 s VAL 124 Ca 0.00 1.08 0.02 0.00 0.00 0.00 0.00 61.98 63.08 1mx7 s VAL 124 Cb 0.00 -3.47 0.15 0.00 0.00 0.00 0.00 36.38 33.06 1mx7 s VAL 124 CO 0.00 -0.36 0.28 -0.89 0.00 0.00 0.00 175.10 174.12 1mx7 s THR 125 N -2.19 0.64 0.17 3.92 2.01 -1.26 -3.03 115.64 115.89 1mx7 s THR 125 Ca 0.65 -2.35 0.01 0.00 0.31 0.00 0.00 61.69 60.31 1mx7 s THR 125 Cb -0.15 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 1mx7 s THR 125 CO 0.25 -1.05 0.32 0.00 -0.69 0.00 0.00 174.62 173.45 1mx7 s LYS 127 N -3.23 0.55 -0.18 0.00 -2.85 -1.26 -1.12 119.74 111.66 1mx7 s LYS 127 Ca 0.36 0.02 -0.02 0.00 -1.00 0.00 0.00 55.97 55.33 1mx7 s LYS 127 Cb -0.11 0.25 -0.01 0.00 -2.06 0.00 0.00 37.83 35.90 1mx7 s LYS 127 CO 0.29 -0.13 -0.09 -1.14 0.10 0.00 0.00 175.35 174.38 1mx7 s GLN 128 N -0.79 3.38 -0.10 1.78 -0.44 -0.36 -3.24 119.66 119.87 1mx7 s GLN 128 Ca -0.09 -0.65 -0.03 0.00 -2.50 0.00 0.00 55.36 52.09 1mx7 s GLN 128 Cb -0.04 -2.83 -0.03 0.00 -1.64 0.00 0.00 33.01 28.47 1mx7 s GLN 128 CO 0.03 -0.01 0.03 0.08 0.50 0.00 0.00 175.29 175.92 1mx7 s VAL 129 N 0.95 4.53 0.34 1.34 1.01 0.10 0.19 120.40 128.86 1mx7 s VAL 129 Ca -0.01 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.84 1mx7 s VAL 129 Cb -0.15 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 1mx7 s VAL 129 CO -0.00 0.59 0.10 0.49 0.00 0.00 0.00 175.10 176.27 1mx7 n PHE 130 N 2.33 0.24 -3.68 5.22 3.72 0.45 0.30 117.46 126.05 1mx7 n PHE 130 Ca -0.19 -2.10 -0.30 0.00 -0.05 0.00 0.00 57.45 54.82 1mx7 n PHE 130 Cb 0.54 -0.05 -0.15 0.00 -0.94 0.00 0.00 39.48 38.88 1mx7 n PHE 130 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1mx7 s LYS 131 N -3.29 0.60 -0.64 -1.08 2.36 0.36 -4.04 119.74 114.01 1mx7 s LYS 131 Ca 0.14 -0.98 -0.26 0.00 -2.55 0.00 0.00 55.97 52.32 1mx7 s LYS 131 Cb 0.01 -1.77 -0.04 0.00 -1.05 0.00 0.00 37.83 34.98 1mx7 s LYS 131 CO 0.10 -1.01 1.97 0.21 1.55 0.00 0.00 175.35 178.17 1mx7 s LYS 132 N 1.68 2.50 0.00 4.03 2.36 -0.79 -2.56 119.74 126.97 1mx7 s LYS 132 Ca 0.10 0.60 0.25 0.00 -2.55 0.00 0.00 55.97 54.37 1mx7 s LYS 132 Cb -0.17 -4.52 1.31 0.00 -1.05 0.00 0.00 37.83 33.39 1mx7 s LYS 132 CO -0.27 -2.96 1.83 1.33 1.55 0.00 0.00 175.35 176.84 1mx7 n VAL 133 N 7.47 0.16 -0.70 4.02 0.24 -1.26 -4.74 118.33 123.53 1mx7 n VAL 133 Ca 0.26 0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.60 1mx7 n VAL 133 Cb 0.51 -0.64 0.00 0.00 -1.47 0.00 0.00 33.84 32.25 1mx7 n VAL 133 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26