#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mx7 s VAL 2 N 0.00 2.83 -0.50 0.52 1.01 -1.26 -5.07 120.40 117.93 1mx7 s VAL 2 Ca 0.00 -2.19 -0.18 0.00 0.00 0.00 0.00 61.98 59.61 1mx7 s VAL 2 Cb 0.00 -3.00 0.07 0.00 0.00 0.00 0.00 36.38 33.45 1mx7 s VAL 2 CO 0.00 -0.65 0.55 -1.81 0.00 0.00 0.00 175.10 173.19 1mx7 s ASP 3 N 1.40 6.19 0.14 3.32 1.11 -1.26 -4.92 116.67 122.66 1mx7 s ASP 3 Ca 0.10 -1.13 0.23 0.00 0.18 0.00 0.00 52.55 51.93 1mx7 s ASP 3 Cb -0.21 -2.25 0.16 0.00 1.07 0.00 0.00 42.92 41.68 1mx7 s ASP 3 CO -0.06 -0.83 1.16 -0.26 1.18 0.00 0.00 175.17 176.36 1mx7 h PHE 4 N 8.93 0.00 -1.57 4.23 -1.00 -1.95 -3.49 116.94 122.10 1mx7 h PHE 4 Ca -0.28 0.00 -0.60 0.00 2.81 0.00 0.00 57.97 59.90 1mx7 h PHE 4 Cb 1.10 0.00 0.15 0.00 3.61 0.00 0.00 35.95 40.81 1mx7 h PHE 4 CO 0.72 0.00 -0.89 0.09 -1.61 0.00 0.00 178.31 176.63 1mx7 n ASN 5 N -2.31 -2.65 0.00 2.17 3.02 -1.26 -4.82 115.26 109.40 1mx7 n ASN 5 Ca 0.02 0.81 0.00 0.00 -0.03 0.00 0.00 54.58 55.37 1mx7 n ASN 5 Cb 0.48 -0.86 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1mx7 n ASN 5 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mx7 n GLY 6 N 2.23 0.85 2.01 7.41 0.00 -1.18 -4.98 105.19 111.52 1mx7 n GLY 6 Ca 0.11 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.81 -3.62 1.61 4.02 -1.26 -4.69 117.16 112.41 1mx7 n TYR 7 Ca 0.00 -1.55 -0.07 0.00 -0.01 0.00 0.00 57.90 56.27 1mx7 n TYR 7 Cb 0.00 0.27 0.02 0.00 -0.02 0.00 0.00 39.34 39.61 1mx7 n TYR 7 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 176.86 173.18 1mx7 n TRP 8 N -0.37 -1.94 0.00 -0.72 4.27 -1.26 -4.57 117.44 112.85 1mx7 n TRP 8 Ca 0.02 -1.41 0.00 0.00 -3.89 0.00 0.00 57.50 52.22 1mx7 n TRP 8 Cb 0.36 0.66 0.00 0.00 -1.36 0.00 0.00 31.31 30.98 1mx7 n TRP 8 CO 0.00 0.00 0.00 0.36 -2.29 0.00 0.00 177.69 175.76 1mx7 n LYS 9 N -0.40 0.00 -1.82 -2.67 2.85 -1.25 -4.56 118.16 110.31 1mx7 n LYS 9 Ca -0.06 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.79 1mx7 n LYS 9 Cb 0.44 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.81 1mx7 n LYS 9 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1mx7 s MET 10 N 0.00 4.13 -0.20 -1.58 0.23 -1.26 -2.44 119.30 118.18 1mx7 s MET 10 Ca 0.00 2.55 0.02 0.00 -1.03 0.00 0.00 55.69 57.23 1mx7 s MET 10 Cb 0.00 -2.98 -0.21 0.00 -1.53 0.00 0.00 34.83 30.11 1mx7 s MET 10 CO 0.00 -0.52 0.01 -0.11 -2.03 0.00 0.00 175.02 172.37 1mx7 n LEU 11 N 0.72 2.42 -3.64 0.18 0.00 0.46 -4.89 117.00 112.26 1mx7 n LEU 11 Ca 0.02 -0.00 -0.09 0.00 0.00 0.00 0.00 56.01 55.93 1mx7 n LEU 11 Cb 0.39 -0.74 -0.07 0.00 0.00 0.00 0.00 43.42 43.00 1mx7 n LEU 11 CO 0.63 0.84 0.52 -0.55 0.00 0.00 0.00 177.39 178.83 1mx7 s SER 12 N -6.51 -0.69 0.07 1.96 0.15 -0.78 -4.99 113.70 102.91 1mx7 s SER 12 Ca -0.27 1.24 0.03 0.00 0.70 0.00 0.00 55.95 57.65 1mx7 s SER 12 Cb 0.08 1.27 -0.03 0.00 -1.71 0.00 0.00 66.02 65.63 1mx7 s SER 12 CO 0.68 -0.21 -0.10 0.21 1.20 0.00 0.00 173.24 175.03 1mx7 s ASN 13 N 0.80 1.22 0.02 5.45 2.47 -1.26 0.11 114.94 123.75 1mx7 s ASN 13 Ca -0.03 -0.68 -0.29 0.00 0.42 0.00 0.00 52.86 52.28 1mx7 s ASN 13 Cb -0.05 0.02 0.11 0.00 -1.45 0.00 0.00 41.25 39.88 1mx7 s ASN 13 CO -0.08 -0.22 1.22 -1.83 -3.72 0.00 0.00 177.10 172.47 1mx7 s GLU 14 N -2.16 0.57 -1.44 0.43 -1.05 -1.12 -4.99 118.70 108.94 1mx7 s GLU 14 Ca -0.02 -0.32 0.00 0.00 -0.15 0.00 0.00 54.97 54.48 1mx7 s GLU 14 Cb -0.07 0.19 0.00 0.00 -0.44 0.00 0.00 34.13 33.81 1mx7 s GLU 14 CO 0.00 -0.26 0.00 0.09 0.95 0.00 0.00 175.26 176.04 1mx7 n ASN 15 N -0.53 -4.63 0.16 0.83 4.13 -1.26 -3.29 115.26 110.67 1mx7 n ASN 15 Ca -0.07 0.32 0.02 0.00 1.68 0.00 0.00 54.58 56.52 1mx7 n ASN 15 Cb 0.62 -3.36 0.35 0.00 -1.54 0.00 0.00 39.78 35.85 1mx7 n ASN 15 CO 0.00 0.00 0.00 2.19 0.28 0.00 0.00 177.26 179.73 1mx7 h PHE 16 N 0.00 0.09 -0.22 3.10 -5.15 -1.94 -1.33 116.94 111.49 1mx7 h PHE 16 Ca -0.28 -0.02 -0.14 0.00 -0.20 0.00 0.00 57.97 57.33 1mx7 h PHE 16 Cb 0.92 -0.02 0.00 0.00 0.22 0.00 0.00 35.95 37.06 1mx7 h PHE 16 CO 0.38 0.40 -0.41 1.49 -2.00 0.00 0.00 178.31 178.18 1mx7 h GLU 17 N 0.07 0.67 0.00 6.09 4.81 -1.94 -0.58 114.58 123.70 1mx7 h GLU 17 Ca 0.01 -0.42 -0.08 0.00 -0.13 0.00 0.00 59.36 58.73 1mx7 h GLU 17 Cb 0.63 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1mx7 h GLU 17 CO 0.05 1.04 -0.39 0.93 -0.73 0.00 0.00 179.01 179.91 1mx7 h GLU 18 N 0.38 0.00 -0.02 1.92 5.08 -1.96 -2.72 114.58 117.26 1mx7 h GLU 18 Ca 0.01 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.20 1mx7 h GLU 18 Cb 1.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.27 1mx7 h GLU 18 CO 0.09 0.39 -0.66 -0.92 -1.00 0.00 0.00 179.01 176.91 1mx7 h TYR 19 N 0.00 0.70 0.00 4.33 3.20 -1.04 -3.19 116.97 120.96 1mx7 h TYR 19 Ca -0.00 -0.37 -0.02 0.00 3.14 0.00 0.00 58.73 61.47 1mx7 h TYR 19 Cb 1.06 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.24 1mx7 h TYR 19 CO 0.00 1.19 -0.11 -0.07 -1.64 0.00 0.00 178.16 177.52 1mx7 h LEU 20 N 0.02 0.00 -0.71 2.82 3.38 -1.10 -2.72 115.31 117.00 1mx7 h LEU 20 Ca -0.08 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1mx7 h LEU 20 Cb 1.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 1mx7 h LEU 20 CO 0.13 0.11 -0.34 -0.09 0.09 0.00 0.00 178.44 178.35 1mx7 h ARG 21 N 0.00 0.00 -0.08 1.13 2.43 -1.53 -1.60 114.38 114.74 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 0.70 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1mx7 h ARG 21 CO 0.01 0.34 -0.55 0.00 -1.51 0.00 0.00 179.97 178.26 1mx7 h ALA 22 N 1.66 0.93 -0.01 2.80 0.00 -1.47 -3.11 119.26 120.06 1mx7 h ALA 22 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1mx7 h ALA 22 Cb 0.98 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1mx7 h ALA 22 CO 0.04 0.69 -0.77 1.28 0.00 0.00 0.00 179.25 180.50 1mx7 n LEU 23 N -3.91 1.39 -3.55 0.00 4.77 -1.16 -4.94 117.00 109.59 1mx7 n LEU 23 Ca -0.02 -0.60 -0.24 0.00 -0.03 0.00 0.00 56.01 55.12 1mx7 n LEU 23 Cb 0.58 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.70 1mx7 n LEU 23 CO 0.44 0.30 -0.02 0.47 -1.33 0.00 0.00 177.39 177.25 1mx7 n ASP 24 N -0.90 -5.82 -2.09 -1.43 9.92 -0.61 -4.86 116.55 110.76 1mx7 n ASP 24 Ca 0.06 -0.83 -0.25 0.00 -0.53 0.00 0.00 54.79 53.24 1mx7 n ASP 24 Cb 0.38 -3.66 0.06 0.00 -0.64 0.00 0.00 41.12 37.25 1mx7 n ASP 24 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1mx7 n VAL 25 N -3.51 3.15 -1.13 2.53 0.24 -1.20 -5.00 118.33 113.42 1mx7 n VAL 25 Ca -0.10 -2.21 0.06 0.00 -2.04 0.00 0.00 64.34 60.05 1mx7 n VAL 25 Cb 0.59 -1.24 -0.03 0.00 -1.47 0.00 0.00 33.84 31.69 1mx7 n VAL 25 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1mx7 n ASN 26 N -0.24 -6.09 0.24 -1.34 3.02 -1.26 -4.13 115.26 105.46 1mx7 n ASN 26 Ca 0.45 1.26 0.13 0.00 -0.03 0.00 0.00 54.58 56.39 1mx7 n ASN 26 Cb 0.64 -3.62 0.50 0.00 -0.61 0.00 0.00 39.78 36.69 1mx7 n ASN 26 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1mx7 h VAL 27 N -0.43 0.30 0.00 2.41 -1.51 -1.97 -3.09 116.25 111.96 1mx7 h VAL 27 Ca -0.07 -0.91 -0.10 0.00 -1.23 0.00 0.00 66.70 64.39 1mx7 h VAL 27 Cb 0.87 1.71 -0.01 0.00 -2.13 0.00 0.00 31.29 31.72 1mx7 h VAL 27 CO 0.03 0.12 -0.48 0.00 -1.23 0.00 0.00 177.57 176.01 1mx7 h ALA 28 N 1.87 0.91 0.00 5.19 0.00 -2.01 -3.15 119.26 122.08 1mx7 h ALA 28 Ca -0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 1mx7 h ALA 28 Cb 0.70 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1mx7 h ALA 28 CO 0.02 0.60 -0.83 1.25 0.00 0.00 0.00 179.25 180.29 1mx7 h LEU 29 N 0.00 0.05 -1.12 0.00 5.85 -1.69 -2.94 115.31 115.46 1mx7 h LEU 29 Ca -0.00 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1mx7 h LEU 29 Cb 1.05 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1mx7 h LEU 29 CO 0.06 0.85 -0.17 -0.09 -0.34 0.00 0.00 178.44 178.76 1mx7 h ARG 30 N 0.02 0.00 0.13 1.25 2.43 -1.64 0.27 114.38 116.84 1mx7 h ARG 30 Ca -0.02 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.89 1mx7 h ARG 30 Cb 1.46 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 31.03 1mx7 h ARG 30 CO 0.11 0.17 -1.11 -0.22 -1.51 0.00 0.00 179.97 177.41 1mx7 h LYS 31 N 0.00 0.52 -0.12 0.20 3.64 -1.51 -0.71 116.57 118.60 1mx7 h LYS 31 Ca -0.00 -0.74 -0.18 0.00 -1.27 0.00 0.00 60.65 58.47 1mx7 h LYS 31 Cb 0.72 0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1mx7 h LYS 31 CO 0.02 1.33 -0.66 0.82 -2.27 0.00 0.00 179.45 178.69 1mx7 h ILE 32 N 0.08 1.35 0.02 2.00 5.03 -1.32 -3.25 117.51 121.43 1mx7 h ILE 32 Ca -0.18 -2.00 -0.22 0.00 -0.12 0.00 0.00 64.86 62.35 1mx7 h ILE 32 Cb 1.82 1.98 -0.02 0.00 -3.03 0.00 0.00 36.82 37.57 1mx7 h ILE 32 CO 0.21 0.61 -1.01 0.00 -0.68 0.00 0.00 178.15 177.28 1mx7 h ALA 33 N 0.95 0.35 -0.34 1.87 0.00 -0.51 -3.34 119.26 118.24 1mx7 h ALA 33 Ca -0.02 -0.87 0.09 0.00 0.00 0.00 0.00 54.91 54.11 1mx7 h ALA 33 Cb 1.22 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1mx7 h ALA 33 CO 0.12 1.15 0.24 -0.97 0.00 0.00 0.00 179.25 179.79 1mx7 h ASN 34 N 0.02 0.06 -0.92 0.00 -0.73 -1.15 -2.12 115.58 110.74 1mx7 h ASN 34 Ca -0.03 0.00 -0.61 0.00 1.87 0.00 0.00 56.30 57.52 1mx7 h ASN 34 Cb 1.75 -0.01 -0.36 0.00 0.27 0.00 0.00 38.32 39.96 1mx7 h ASN 34 CO 0.14 0.04 -0.03 0.00 -0.37 0.00 0.00 177.43 177.21 1mx7 n LEU 35 N -4.45 6.20 -4.31 0.34 -0.00 -1.25 -4.98 117.00 108.55 1mx7 n LEU 35 Ca 0.05 -4.57 -0.32 0.00 -0.00 0.00 0.00 56.01 51.17 1mx7 n LEU 35 Cb 0.38 -0.64 -0.16 0.00 -0.00 0.00 0.00 43.42 43.00 1mx7 n LEU 35 CO 0.35 1.83 -0.51 -0.22 -0.00 0.00 0.00 177.39 178.85 1mx7 s LEU 36 N -3.71 2.40 -0.28 1.47 0.20 -0.80 -5.08 118.68 112.87 1mx7 s LEU 36 Ca 0.57 -0.43 -0.02 0.00 0.69 0.00 0.00 54.13 54.94 1mx7 s LEU 36 Cb 0.45 -1.50 0.12 0.00 -0.43 0.00 0.00 46.19 44.83 1mx7 s LEU 36 CO -0.00 0.19 0.22 -0.54 -0.29 0.00 0.00 176.35 175.93 1mx7 s LYS 37 N 0.18 0.26 0.41 1.98 -0.14 -1.26 -5.06 119.74 116.12 1mx7 s LYS 37 Ca -0.11 -0.28 0.07 0.00 -1.36 0.00 0.00 55.97 54.29 1mx7 s LYS 37 Cb -0.16 -0.92 0.01 0.00 -1.68 0.00 0.00 37.83 35.08 1mx7 s LYS 37 CO 0.06 -1.00 0.57 -1.25 -0.76 0.00 0.00 175.35 172.98 1mx7 s PRO 38 N 2.25 2.89 0.22 -1.68 0.05 -1.26 -4.90 135.00 132.56 1mx7 s PRO 38 Ca 0.09 -1.09 0.00 0.00 0.05 0.00 0.00 61.00 60.05 1mx7 s PRO 38 Cb -0.15 -2.74 -0.00 0.00 0.05 0.00 0.00 34.50 31.66 1mx7 s PRO 38 CO -0.33 -0.23 0.01 -0.25 0.05 0.00 0.00 177.00 176.25 1mx7 n ASP 39 N -1.86 2.35 -3.23 6.66 8.00 -1.26 -4.41 116.55 122.81 1mx7 n ASP 39 Ca 0.06 -1.99 -0.02 0.00 0.71 0.00 0.00 54.79 53.55 1mx7 n ASP 39 Cb 0.59 0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.87 1mx7 n ASP 39 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1mx7 s LYS 40 N -2.80 0.49 -0.45 -1.24 1.02 -1.26 -4.28 119.74 111.22 1mx7 s LYS 40 Ca 0.02 0.61 -0.17 0.00 0.02 0.00 0.00 55.97 56.45 1mx7 s LYS 40 Cb 0.00 0.08 0.04 0.00 -0.52 0.00 0.00 37.83 37.43 1mx7 s LYS 40 CO 0.01 -0.81 0.44 -2.00 -0.92 0.00 0.00 175.35 172.07 1mx7 s GLU 41 N 2.72 3.05 0.10 1.68 2.12 -1.16 -4.32 118.70 122.89 1mx7 s GLU 41 Ca 0.14 -0.98 -0.18 0.00 0.36 0.00 0.00 54.97 54.31 1mx7 s GLU 41 Cb -0.13 -4.04 -0.07 0.00 0.26 0.00 0.00 34.13 30.15 1mx7 s GLU 41 CO -0.23 -0.95 0.58 0.42 -0.54 0.00 0.00 175.26 174.53 1mx7 s ILE 42 N 2.03 4.76 0.10 -3.70 1.01 -1.26 -3.28 121.20 120.86 1mx7 s ILE 42 Ca 0.09 1.12 0.02 0.00 0.00 0.00 0.00 60.65 61.89 1mx7 s ILE 42 Cb -0.20 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1mx7 s ILE 42 CO 0.11 0.44 -0.08 -0.69 0.00 0.00 0.00 174.94 174.73 1mx7 s VAL 43 N -1.24 0.79 -0.03 2.92 1.01 0.10 -3.12 120.40 120.84 1mx7 s VAL 43 Ca 0.32 -1.88 0.04 0.00 0.00 0.00 0.00 61.98 60.46 1mx7 s VAL 43 Cb -0.18 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.58 1mx7 s VAL 43 CO 0.19 -0.79 -0.13 -1.58 0.00 0.00 0.00 175.10 172.79 1mx7 s GLN 44 N -3.59 1.26 0.00 2.72 -0.44 -1.26 0.65 119.66 119.00 1mx7 s GLN 44 Ca 0.11 -0.46 0.00 0.00 -2.50 0.00 0.00 55.36 52.51 1mx7 s GLN 44 Cb 0.03 -1.16 0.00 0.00 -1.64 0.00 0.00 33.01 30.24 1mx7 s GLN 44 CO -0.03 0.21 0.00 -3.47 0.50 0.00 0.00 175.29 172.50 1mx7 n ASP 45 N 3.08 0.00 -4.45 6.67 -0.08 -1.26 -4.93 116.55 115.57 1mx7 n ASP 45 Ca -0.17 0.00 -0.49 0.00 -1.51 0.00 0.00 54.79 52.62 1mx7 n ASP 45 Cb 0.54 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.97 1mx7 n ASP 45 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1mx7 n GLY 46 N 1.55 -1.21 7.00 0.27 0.00 -1.26 -3.10 105.19 108.45 1mx7 n GLY 46 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1mx7 n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mx7 n ASP 47 N 1.82 0.00 0.00 1.61 8.00 -1.26 -4.40 116.55 122.32 1mx7 n ASP 47 Ca 0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1mx7 n ASP 47 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 1mx7 n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mx7 n HIS 48 N 7.27 0.00 -2.78 1.24 1.44 -1.18 -4.87 115.22 116.35 1mx7 n HIS 48 Ca 0.00 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.69 1mx7 n HIS 48 Cb 0.00 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.13 1mx7 n HIS 48 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 1mx7 s MET 49 N 0.00 0.53 -0.30 -1.40 0.00 -1.23 -4.05 119.30 112.85 1mx7 s MET 49 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 55.69 55.26 1mx7 s MET 49 Cb 0.00 -0.00 0.07 0.00 0.00 0.00 0.00 34.83 34.90 1mx7 s MET 49 CO 0.00 -0.68 -0.01 0.42 0.00 0.00 0.00 175.02 174.74 1mx7 s ILE 50 N 1.23 2.59 -0.38 10.11 1.09 0.21 0.17 121.20 136.22 1mx7 s ILE 50 Ca 0.23 -1.72 -0.09 0.00 -1.10 0.00 0.00 60.65 57.97 1mx7 s ILE 50 Cb 0.05 -2.60 0.05 0.00 -1.06 0.00 0.00 42.46 38.90 1mx7 s ILE 50 CO -0.09 -0.22 0.21 -0.63 -0.10 0.00 0.00 174.94 174.10 1mx7 s ILE 51 N 1.12 4.29 -0.40 2.92 1.09 -1.08 0.00 121.20 129.14 1mx7 s ILE 51 Ca -0.02 -1.12 -0.14 0.00 -1.10 0.00 0.00 60.65 58.27 1mx7 s ILE 51 Cb -0.20 -3.49 0.02 0.00 -1.06 0.00 0.00 42.46 37.73 1mx7 s ILE 51 CO -0.04 -0.33 0.27 -0.60 -0.10 0.00 0.00 174.94 174.14 1mx7 s ARG 52 N 1.48 2.94 -0.25 2.79 3.52 -1.20 -2.78 118.95 125.44 1mx7 s ARG 52 Ca 0.02 -1.03 -0.13 0.00 -0.13 0.00 0.00 55.73 54.46 1mx7 s ARG 52 Cb -0.21 -3.89 -0.04 0.00 -1.56 0.00 0.00 34.95 29.25 1mx7 s ARG 52 CO 0.04 -0.72 0.27 0.99 -0.81 0.00 0.00 175.30 175.07 1mx7 s THR 53 N 1.64 5.27 -0.53 4.11 2.01 -1.24 -2.98 115.64 123.92 1mx7 s THR 53 Ca 0.04 0.38 0.07 0.00 0.31 0.00 0.00 61.69 62.49 1mx7 s THR 53 Cb -0.19 -3.60 0.33 0.00 0.01 0.00 0.00 72.50 69.05 1mx7 s THR 53 CO 0.09 0.26 0.85 0.00 -0.69 0.00 0.00 174.62 175.13 1mx7 n LEU 54 N 4.72 3.32 0.00 4.42 -0.00 -1.26 -4.11 117.00 124.08 1mx7 n LEU 54 Ca -0.12 -5.45 -0.18 0.00 -0.00 0.00 0.00 56.01 50.26 1mx7 n LEU 54 Cb 0.51 -0.20 0.16 0.00 -0.00 0.00 0.00 43.42 43.90 1mx7 n LEU 54 CO 0.36 2.29 0.30 -1.20 -0.00 0.00 0.00 177.39 179.14 1mx7 n SER 55 N 0.08 -2.40 -0.01 1.45 7.64 -1.24 -4.79 113.62 114.35 1mx7 n SER 55 Ca 0.29 -0.74 0.07 0.00 1.01 0.00 0.00 58.87 59.50 1mx7 n SER 55 Cb 0.46 -0.61 -0.13 0.00 -1.01 0.00 0.00 64.21 62.93 1mx7 n SER 55 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1mx7 n THR 56 N -4.28 0.10 0.08 0.44 -2.24 -1.26 -4.59 114.28 102.53 1mx7 n THR 56 Ca 0.09 -0.40 -0.09 0.00 -2.27 0.00 0.00 64.05 61.38 1mx7 n THR 56 Cb 0.36 0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 1mx7 n THR 56 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1mx7 h PHE 57 N 0.00 -0.27 -1.51 4.78 3.04 -1.99 -3.49 116.94 117.50 1mx7 h PHE 57 Ca -0.04 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.91 1mx7 h PHE 57 Cb 0.85 0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.45 1mx7 h PHE 57 CO 0.00 0.06 0.00 2.89 -2.02 0.00 0.00 178.31 179.24 1mx7 n ARG 58 N -4.97 0.00 -3.66 1.11 1.85 -1.26 -5.19 116.66 104.54 1mx7 n ARG 58 Ca -0.07 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.68 1mx7 n ARG 58 Cb 0.23 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.56 1mx7 n ARG 58 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1mx7 s ASN 59 N 0.37 -0.74 -0.19 2.89 4.22 -1.26 -3.67 114.94 116.56 1mx7 s ASN 59 Ca 0.00 1.26 -0.04 0.00 -2.14 0.00 0.00 52.86 51.95 1mx7 s ASN 59 Cb 0.00 1.19 -0.02 0.00 1.28 0.00 0.00 41.25 43.69 1mx7 s ASN 59 CO 0.00 -0.22 -0.03 -0.72 -2.04 0.00 0.00 177.10 174.09 1mx7 s TYR 60 N 1.15 3.00 0.12 1.54 1.13 -1.26 -5.05 117.35 117.97 1mx7 s TYR 60 Ca -0.07 -0.54 0.04 0.00 -1.41 0.00 0.00 57.07 55.10 1mx7 s TYR 60 Cb -0.06 -2.03 -0.04 0.00 -1.10 0.00 0.00 41.96 38.73 1mx7 s TYR 60 CO -0.11 -0.25 -0.10 0.42 -2.51 0.00 0.00 175.55 173.00 1mx7 s ILE 61 N 0.88 1.02 0.04 -3.49 1.01 -1.26 -3.64 121.20 115.76 1mx7 s ILE 61 Ca -0.00 -1.90 -0.02 0.00 0.00 0.00 0.00 60.65 58.72 1mx7 s ILE 61 Cb -0.14 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 1mx7 s ILE 61 CO 0.01 -0.71 0.01 -0.04 0.00 0.00 0.00 174.94 174.22 1mx7 s MET 62 N -3.45 0.51 -0.49 2.79 -1.94 -1.12 -5.07 119.30 110.54 1mx7 s MET 62 Ca 0.12 -0.88 0.07 0.00 -1.71 0.00 0.00 55.69 53.29 1mx7 s MET 62 Cb 0.01 0.19 0.25 0.00 2.01 0.00 0.00 34.83 37.29 1mx7 s MET 62 CO -0.01 -0.10 0.62 -0.40 -0.01 0.00 0.00 175.02 175.12 1mx7 n ASP 63 N 0.78 1.70 -2.82 3.03 5.75 -1.26 -2.64 116.55 121.09 1mx7 n ASP 63 Ca -0.19 -3.02 -0.09 0.00 -0.01 0.00 0.00 54.79 51.49 1mx7 n ASP 63 Cb 0.58 -0.65 0.07 0.00 -1.03 0.00 0.00 41.12 40.10 1mx7 n ASP 63 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1mx7 n PHE 64 N 1.13 -3.25 -3.40 2.11 3.72 0.45 -4.90 117.46 113.32 1mx7 n PHE 64 Ca 0.25 -0.29 0.01 0.00 -0.05 0.00 0.00 57.45 57.37 1mx7 n PHE 64 Cb 0.48 -0.34 -0.04 0.00 -0.94 0.00 0.00 39.48 38.64 1mx7 n PHE 64 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1mx7 s GLN 65 N -3.74 0.25 0.82 -1.08 -0.21 -1.23 -3.58 119.66 110.90 1mx7 s GLN 65 Ca 0.21 0.60 -0.13 0.00 0.02 0.00 0.00 55.36 56.06 1mx7 s GLN 65 Cb -0.02 0.33 0.08 0.00 1.00 0.00 0.00 33.01 34.40 1mx7 s GLN 65 CO 0.16 -0.08 1.11 0.28 -2.12 0.00 0.00 175.29 174.64 1mx7 n VAL 66 N 4.72 1.74 -1.06 1.09 0.31 -1.26 -3.50 118.33 120.37 1mx7 n VAL 66 Ca -0.10 -0.20 -0.02 0.00 -0.01 0.00 0.00 64.34 64.01 1mx7 n VAL 66 Cb 0.54 -1.12 -0.01 0.00 -0.91 0.00 0.00 33.84 32.34 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 0.65 0.29 3.29 2.92 0.00 -1.26 -4.77 105.19 106.32 1mx7 n GLY 67 Ca 0.13 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.87 1.24 -0.01 1.61 2.20 -1.23 -5.06 119.74 116.62 1mx7 s LYS 68 Ca 0.00 -1.13 -0.18 0.00 -0.36 0.00 0.00 55.97 54.30 1mx7 s LYS 68 Cb 0.00 -1.49 -0.05 0.00 -1.51 0.00 0.00 37.83 34.77 1mx7 s LYS 68 CO 0.00 0.36 0.50 -2.00 -0.36 0.00 0.00 175.35 173.85 1mx7 s GLU 69 N -1.73 4.17 0.49 4.03 2.12 -1.26 -4.13 118.70 122.38 1mx7 s GLU 69 Ca 0.08 0.56 0.02 0.00 0.36 0.00 0.00 54.97 55.98 1mx7 s GLU 69 Cb -0.10 -3.30 -0.01 0.00 0.26 0.00 0.00 34.13 30.98 1mx7 s GLU 69 CO 0.04 0.49 0.04 -0.06 -0.54 0.00 0.00 175.26 175.22 1mx7 s PHE 70 N -0.50 1.81 -0.45 5.30 0.40 -0.72 -5.05 117.98 118.76 1mx7 s PHE 70 Ca 0.27 -1.06 0.07 0.00 -0.60 0.00 0.00 56.93 55.60 1mx7 s PHE 70 Cb -0.17 -1.49 0.26 0.00 0.51 0.00 0.00 43.02 42.13 1mx7 s PHE 70 CO 0.15 0.08 0.82 -0.85 0.70 0.00 0.00 175.22 176.12 1mx7 n GLU 71 N -1.20 0.81 -1.65 0.44 0.28 -1.26 -3.25 120.64 114.81 1mx7 n GLU 71 Ca -0.17 -2.21 -0.50 0.00 -0.16 0.00 0.00 57.16 54.12 1mx7 n GLU 71 Cb 0.66 -1.36 -0.05 0.00 1.43 0.00 0.00 31.44 32.12 1mx7 n GLU 71 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1mx7 n GLU 72 N 1.33 1.66 0.28 3.44 4.71 -1.23 -4.83 120.64 125.99 1mx7 n GLU 72 Ca 0.12 0.60 0.17 0.00 -0.01 0.00 0.00 57.16 58.05 1mx7 n GLU 72 Cb 0.62 -2.33 0.66 0.00 -1.01 0.00 0.00 31.44 29.38 1mx7 n GLU 72 CO 0.00 0.00 0.00 0.38 0.09 0.00 0.00 177.13 177.60 1mx7 h ASP 73 N 6.24 0.00 -2.86 1.62 2.03 -1.92 -3.09 116.42 118.44 1mx7 h ASP 73 Ca -0.47 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.81 1mx7 h ASP 73 Cb 1.29 0.00 -0.23 0.00 -0.83 0.00 0.00 39.33 39.56 1mx7 h ASP 73 CO 0.87 0.00 -0.13 -1.48 -1.03 0.00 0.00 179.24 177.47 1mx7 s LEU 74 N -6.19 -0.70 -0.23 0.15 -0.00 -1.26 -4.11 118.68 106.34 1mx7 s LEU 74 Ca 0.01 1.29 -0.14 0.00 -0.00 0.00 0.00 54.13 55.30 1mx7 s LEU 74 Cb 0.09 1.97 -0.04 0.00 -0.00 0.00 0.00 46.19 48.21 1mx7 s LEU 74 CO 0.55 -0.22 0.32 -0.89 -0.00 0.00 0.00 176.35 176.11 1mx7 s THR 75 N 1.86 5.24 0.00 5.48 2.01 -0.98 -4.83 115.64 124.42 1mx7 s THR 75 Ca -0.08 0.51 0.00 0.00 0.31 0.00 0.00 61.69 62.43 1mx7 s THR 75 Cb -0.08 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.78 1mx7 s THR 75 CO -0.17 0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.62 1mx7 n GLY 76 N 4.27 2.94 0.00 4.40 0.00 -1.26 0.19 105.19 115.72 1mx7 n GLY 76 Ca -0.10 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 45.84 1mx7 n GLY 76 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1mx7 n ILE 77 N 0.00 0.00 1.45 -0.61 -6.64 -1.26 -4.14 119.36 108.16 1mx7 n ILE 77 Ca 0.00 -0.21 0.15 0.00 -1.77 0.00 0.00 62.75 60.92 1mx7 n ILE 77 Cb 0.00 0.85 0.70 0.00 -1.44 0.00 0.00 39.64 39.75 1mx7 n ILE 77 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 1mx7 n ASP 78 N -1.44 0.22 0.00 7.28 -0.08 -0.98 -4.98 116.55 116.57 1mx7 n ASP 78 Ca 0.02 -0.39 0.00 0.00 -1.51 0.00 0.00 54.79 52.91 1mx7 n ASP 78 Cb 0.24 -0.17 0.00 0.00 2.34 0.00 0.00 41.12 43.53 1mx7 n ASP 78 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1mx7 n ASP 79 N -1.12 0.00 -0.59 1.67 9.92 0.50 -4.83 116.55 122.10 1mx7 n ASP 79 Ca 0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 1mx7 n ASP 79 Cb 0.25 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 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 13.78 0.00 -1.71 -1.24 0.63 -1.26 -2.33 116.66 124.52 1mx7 n ARG 80 Ca 0.00 0.38 -0.41 0.00 -0.92 0.00 0.00 57.85 56.90 1mx7 n ARG 80 Cb 0.00 -0.21 0.01 0.00 0.45 0.00 0.00 32.46 32.70 1mx7 n ARG 80 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1mx7 n LYS 81 N 0.72 2.08 -3.70 -0.14 4.76 -1.26 -3.60 118.16 117.02 1mx7 n LYS 81 Ca 0.00 0.74 -0.14 0.00 -2.87 0.00 0.00 58.31 56.03 1mx7 n LYS 81 Cb 0.00 -2.43 -0.08 0.00 -1.84 0.00 0.00 35.03 30.68 1mx7 n LYS 81 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1mx7 s MET 83 N -1.24 3.39 -0.10 0.00 -1.94 -1.17 -3.50 119.30 114.74 1mx7 s MET 83 Ca -0.13 -0.72 0.00 0.00 -1.71 0.00 0.00 55.69 53.14 1mx7 s MET 83 Cb -0.04 -3.80 -0.02 0.00 2.01 0.00 0.00 34.83 32.98 1mx7 s MET 83 CO 0.05 -0.49 -0.10 0.99 -0.01 0.00 0.00 175.02 175.47 1mx7 s THR 84 N 1.70 3.40 0.03 2.05 2.01 -1.20 -1.09 115.64 122.54 1mx7 s THR 84 Ca 0.06 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 61.53 1mx7 s THR 84 Cb -0.18 -2.40 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 1mx7 s THR 84 CO 0.10 0.56 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.57 1mx7 s THR 85 N -0.27 0.97 0.45 -0.82 2.01 -1.26 -1.75 115.64 114.97 1mx7 s THR 85 Ca 0.03 -0.90 0.06 0.00 0.31 0.00 0.00 61.69 61.19 1mx7 s THR 85 Cb -0.13 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 1mx7 s THR 85 CO 0.03 -0.01 0.22 -0.69 -0.69 0.00 0.00 174.62 173.48 1mx7 s VAL 86 N -0.80 2.05 0.09 3.82 1.01 -1.26 -3.71 120.40 121.60 1mx7 s VAL 86 Ca 0.01 -1.66 -0.27 0.00 0.00 0.00 0.00 61.98 60.05 1mx7 s VAL 86 Cb -0.07 -2.71 0.08 0.00 0.00 0.00 0.00 36.38 33.68 1mx7 s VAL 86 CO 0.01 0.00 1.06 -0.55 0.00 0.00 0.00 175.10 175.62 1mx7 s SER 87 N -4.00 -0.15 -0.22 3.32 0.15 -0.99 -4.51 113.70 107.29 1mx7 s SER 87 Ca 0.36 -0.29 -0.06 0.00 0.70 0.00 0.00 55.95 56.65 1mx7 s SER 87 Cb 0.02 0.38 -0.03 0.00 -1.71 0.00 0.00 66.02 64.68 1mx7 s SER 87 CO 0.20 -0.69 0.04 0.26 1.20 0.00 0.00 173.24 174.25 1mx7 s TRP 88 N -3.00 3.08 -1.61 3.44 0.51 -1.26 -3.52 118.94 116.59 1mx7 s TRP 88 Ca 0.12 -0.39 0.15 0.00 -2.12 0.00 0.00 56.10 53.86 1mx7 s TRP 88 Cb 0.00 -2.17 0.23 0.00 -0.81 0.00 0.00 33.47 30.73 1mx7 s TRP 88 CO -0.00 -0.27 1.11 -3.47 -0.51 0.00 0.00 176.95 173.81 1mx7 n ASP 89 N 4.55 2.62 0.00 2.95 2.03 -0.76 -5.02 116.55 122.92 1mx7 n ASP 89 Ca -0.17 -1.76 0.00 0.00 0.52 0.00 0.00 54.79 53.38 1mx7 n ASP 89 Cb 0.52 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 1mx7 n ASP 89 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mx7 n GLY 90 N 0.84 1.32 0.11 0.27 0.00 -1.26 -4.49 105.19 101.98 1mx7 n GLY 90 Ca 0.11 -0.78 -0.17 0.00 0.00 0.00 0.00 46.02 45.18 1mx7 n GLY 90 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1mx7 h ASP 91 N 0.00 0.38 -3.71 1.61 3.04 -1.98 -3.46 116.42 112.30 1mx7 h ASP 91 Ca 0.00 -0.54 -0.50 0.00 -3.24 0.00 0.00 57.03 52.75 1mx7 h ASP 91 Cb 0.00 -0.12 -0.02 0.00 -1.04 0.00 0.00 39.33 38.14 1mx7 h ASP 91 CO 0.00 1.46 0.26 -0.54 -2.04 0.00 0.00 179.24 178.37 1mx7 s LYS 92 N -2.61 4.56 -0.34 4.15 1.02 -1.26 -4.62 119.74 120.63 1mx7 s LYS 92 Ca -0.10 1.22 0.03 0.00 0.02 0.00 0.00 55.97 57.15 1mx7 s LYS 92 Cb 0.07 -3.01 0.10 0.00 -0.52 0.00 0.00 37.83 34.47 1mx7 s LYS 92 CO 0.85 0.42 0.06 -1.17 -0.92 0.00 0.00 175.35 174.58 1mx7 s LEU 93 N -1.67 4.73 0.34 3.17 2.96 -1.17 -1.82 118.68 125.22 1mx7 s LEU 93 Ca 0.44 -2.09 0.06 0.00 -0.22 0.00 0.00 54.13 52.32 1mx7 s LEU 93 Cb -0.21 -1.65 -0.07 0.00 0.50 0.00 0.00 46.19 44.77 1mx7 s LEU 93 CO 0.25 -0.38 -0.01 0.00 -1.32 0.00 0.00 176.35 174.89 1mx7 s GLN 94 N 0.94 1.75 0.13 1.98 -2.07 -1.23 -3.03 119.66 118.12 1mx7 s GLN 94 Ca 0.09 -1.95 0.01 0.00 -1.82 0.00 0.00 55.36 51.70 1mx7 s GLN 94 Cb -0.19 -1.29 -0.01 0.00 -1.09 0.00 0.00 33.01 30.43 1mx7 s GLN 94 CO -0.07 -0.05 0.05 0.00 -1.32 0.00 0.00 175.29 173.90 1mx7 n VAL 96 N -0.28 0.00 -0.35 0.00 0.31 -1.24 -4.45 118.33 112.32 1mx7 n VAL 96 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1mx7 n VAL 96 Cb 0.19 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 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 -1.89 0.00 -3.02 5.55 6.02 -1.26 -3.05 117.38 119.72 1mx7 n GLN 97 Ca 0.00 0.31 -0.42 0.00 -0.01 0.00 0.00 57.00 56.87 1mx7 n GLN 97 Cb 0.00 -0.05 -0.06 0.00 1.02 0.00 0.00 30.24 31.15 1mx7 n GLN 97 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1mx7 s LYS 98 N -2.78 3.69 0.00 -1.09 -0.14 -0.25 -4.87 119.74 114.30 1mx7 s LYS 98 Ca 0.00 0.17 0.00 0.00 -1.36 0.00 0.00 55.97 54.78 1mx7 s LYS 98 Cb 0.00 -3.82 0.00 0.00 -1.68 0.00 0.00 37.83 32.33 1mx7 s LYS 98 CO 0.00 -0.82 0.00 0.41 -0.76 0.00 0.00 175.35 174.18 1mx7 n GLY 99 N 4.62 3.74 0.07 -3.33 0.00 -1.26 -3.06 105.19 105.96 1mx7 n GLY 99 Ca 0.01 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 45.17 1mx7 n GLY 99 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1mx7 n GLU 100 N 0.00 0.26 -2.03 1.61 0.00 -1.26 -4.95 120.64 114.27 1mx7 n GLU 100 Ca 0.00 0.11 -0.29 0.00 0.00 0.00 0.00 57.16 56.98 1mx7 n GLU 100 Cb 0.00 -1.70 0.18 0.00 0.00 0.00 0.00 31.44 29.92 1mx7 n GLU 100 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1mx7 s LYS 101 N -3.14 0.72 -0.18 5.31 -0.14 -1.26 -5.02 119.74 116.03 1mx7 s LYS 101 Ca 0.08 -0.55 0.13 0.00 -1.36 0.00 0.00 55.97 54.27 1mx7 s LYS 101 Cb 0.13 -1.91 0.40 0.00 -1.68 0.00 0.00 37.83 34.78 1mx7 s LYS 101 CO 0.69 -2.32 1.21 -0.85 -0.76 0.00 0.00 175.35 173.32 1mx7 n GLU 102 N -3.65 1.42 0.00 1.68 0.00 -1.26 -4.82 120.64 114.01 1mx7 n GLU 102 Ca 0.16 -3.11 0.00 0.00 0.00 0.00 0.00 57.16 54.20 1mx7 n GLU 102 Cb 0.60 -1.47 0.00 0.00 0.00 0.00 0.00 31.44 30.56 1mx7 n GLU 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1mx7 n GLY 103 N -1.02 0.16 3.49 -1.84 0.00 -1.26 -4.72 105.19 100.00 1mx7 n GLY 103 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 0.72 0.00 1.61 1.74 -1.26 -4.01 116.66 115.46 1mx7 n ARG 104 Ca 0.00 0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1mx7 n ARG 104 Cb 0.00 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 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 1.66 3.98 0.36 -0.13 0.00 -1.17 -4.66 105.19 105.22 1mx7 n GLY 105 Ca 0.11 -1.55 -0.03 0.00 0.00 0.00 0.00 46.02 44.56 1mx7 n GLY 105 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1mx7 n TRP 106 N -1.48 0.07 -3.51 1.61 8.01 -1.26 -3.04 117.44 117.83 1mx7 n TRP 106 Ca 0.00 -0.26 0.00 0.00 -1.31 0.00 0.00 57.50 55.93 1mx7 n TRP 106 Cb 0.00 -0.02 -0.03 0.00 -2.01 0.00 0.00 31.31 29.25 1mx7 n TRP 106 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 1mx7 s THR 107 N -1.42 -0.93 -0.16 -0.99 2.01 -0.50 -3.93 115.64 109.72 1mx7 s THR 107 Ca 0.01 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.84 1mx7 s THR 107 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1mx7 s THR 107 CO 0.01 0.00 0.42 -1.10 -0.69 0.00 0.00 174.62 173.26 1mx7 s GLN 108 N 2.84 4.26 -0.27 4.92 -1.52 -1.17 -1.51 119.66 127.22 1mx7 s GLN 108 Ca -0.00 0.30 -0.04 0.00 -1.95 0.00 0.00 55.36 53.67 1mx7 s GLN 108 Cb -0.12 -3.47 0.09 0.00 -0.22 0.00 0.00 33.01 29.29 1mx7 s GLN 108 CO -0.19 0.09 0.12 -0.46 -0.25 0.00 0.00 175.29 174.60 1mx7 s TRP 109 N 0.88 0.38 -0.26 0.91 -0.00 -1.26 -3.05 118.94 116.54 1mx7 s TRP 109 Ca 0.22 -0.84 -0.24 0.00 -0.00 0.00 0.00 56.10 55.23 1mx7 s TRP 109 Cb -0.15 -0.91 -0.00 0.00 -0.00 0.00 0.00 33.47 32.41 1mx7 s TRP 109 CO 0.08 -0.79 0.81 0.42 -0.00 0.00 0.00 176.95 177.47 1mx7 s ILE 110 N 2.08 4.84 0.05 5.86 1.01 -1.26 -1.21 121.20 132.56 1mx7 s ILE 110 Ca 0.08 1.46 0.04 0.00 0.00 0.00 0.00 60.65 62.23 1mx7 s ILE 110 Cb -0.16 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.18 1mx7 s ILE 110 CO -0.32 -0.10 -0.12 -1.61 0.00 0.00 0.00 174.94 172.78 1mx7 s GLU 111 N 2.85 0.75 0.00 2.79 0.41 -0.67 -4.96 118.70 119.87 1mx7 s GLU 111 Ca 0.34 -0.79 0.00 0.00 -0.41 0.00 0.00 54.97 54.10 1mx7 s GLU 111 Cb -0.15 -0.69 0.00 0.00 -1.78 0.00 0.00 34.13 31.51 1mx7 s GLU 111 CO 0.09 0.16 0.00 0.41 -0.49 0.00 0.00 175.26 175.42 1mx7 n GLY 112 N 1.62 0.35 0.67 -1.39 0.00 -1.26 0.10 105.19 105.27 1mx7 n GLY 112 Ca -0.20 0.26 0.05 0.00 0.00 0.00 0.00 46.02 46.13 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 1.12 2.59 -4.13 1.61 8.00 -1.26 -5.05 116.55 119.43 1mx7 n ASP 113 Ca 0.00 -3.44 -0.09 0.00 0.71 0.00 0.00 54.79 51.98 1mx7 n ASP 113 Cb 0.00 -0.53 -0.10 0.00 -0.02 0.00 0.00 41.12 40.47 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 -3.05 0.80 -0.25 -1.24 2.02 0.11 -1.38 118.70 115.72 1mx7 s GLU 114 Ca 0.39 -1.35 0.01 0.00 0.02 0.00 0.00 54.97 54.04 1mx7 s GLU 114 Cb 0.35 0.23 0.06 0.00 0.10 0.00 0.00 34.13 34.87 1mx7 s GLU 114 CO 0.01 -0.20 -0.05 -0.51 0.02 0.00 0.00 175.26 174.54 1mx7 s LEU 115 N -3.00 2.86 -1.17 1.80 1.43 -1.26 -1.67 118.68 117.68 1mx7 s LEU 115 Ca 0.17 -1.31 -0.08 0.00 -1.03 0.00 0.00 54.13 51.88 1mx7 s LEU 115 Cb 0.08 -1.26 0.23 0.00 0.03 0.00 0.00 46.19 45.27 1mx7 s LEU 115 CO -0.03 -0.25 1.52 1.57 0.23 0.00 0.00 176.35 179.40 1mx7 n HIS 116 N 4.61 3.57 -1.73 0.29 -0.00 -0.35 -2.06 115.22 119.56 1mx7 n HIS 116 Ca -0.11 -3.05 -0.34 0.00 0.46 0.00 0.00 57.72 54.68 1mx7 n HIS 116 Cb 0.43 -1.73 0.06 0.00 -0.12 0.00 0.00 29.99 28.63 1mx7 n HIS 116 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1mx7 s LEU 117 N -0.87 3.43 -0.02 0.27 0.20 -1.24 -4.12 118.68 116.32 1mx7 s LEU 117 Ca 0.36 2.17 -0.02 0.00 0.69 0.00 0.00 54.13 57.34 1mx7 s LEU 117 Cb 0.02 -4.57 0.01 0.00 -0.43 0.00 0.00 46.19 41.22 1mx7 s LEU 117 CO 0.02 -1.79 0.06 -1.61 -0.29 0.00 0.00 176.35 172.74 1mx7 s GLU 118 N -3.87 0.06 -0.06 1.98 2.02 -0.57 -3.46 118.70 114.79 1mx7 s GLU 118 Ca 0.71 0.10 -0.01 0.00 0.02 0.00 0.00 54.97 55.79 1mx7 s GLU 118 Cb -0.25 -0.01 0.03 0.00 0.10 0.00 0.00 34.13 34.00 1mx7 s GLU 118 CO 0.40 -0.03 0.01 -1.64 0.02 0.00 0.00 175.26 174.02 1mx7 s MET 119 N 0.19 0.51 0.15 1.61 -1.94 0.05 -1.41 119.30 118.47 1mx7 s MET 119 Ca -0.01 0.13 0.09 0.00 -1.71 0.00 0.00 55.69 54.19 1mx7 s MET 119 Cb -0.02 -0.86 -0.04 0.00 2.01 0.00 0.00 34.83 35.91 1mx7 s MET 119 CO -0.01 -0.28 -0.21 1.03 -0.01 0.00 0.00 175.02 175.54 1mx7 s ARG 120 N 1.85 1.31 -0.28 2.03 3.00 -1.17 -0.39 118.95 125.30 1mx7 s ARG 120 Ca 0.03 -1.37 -0.16 0.00 0.00 0.00 0.00 55.73 54.23 1mx7 s ARG 120 Cb -0.12 -1.54 0.12 0.00 0.00 0.00 0.00 34.95 33.40 1mx7 s ARG 120 CO -0.04 0.34 0.85 0.00 0.00 0.00 0.00 175.30 176.44 1mx7 s ALA 121 N -1.60 -2.09 -0.68 2.13 0.00 -0.85 -3.70 121.76 114.96 1mx7 s ALA 121 Ca 0.14 2.29 -0.01 0.00 0.00 0.00 0.00 51.96 54.39 1mx7 s ALA 121 Cb -0.08 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.47 1mx7 s ALA 121 CO 0.07 -0.36 0.02 -1.91 0.00 0.00 0.00 175.76 173.58 1mx7 n GLU 122 N 3.93 -2.55 -0.11 0.00 4.07 -1.26 0.54 120.64 125.27 1mx7 n GLU 122 Ca -0.19 0.37 0.00 0.00 -0.06 0.00 0.00 57.16 57.28 1mx7 n GLU 122 Cb 0.58 -4.94 0.00 0.00 -0.06 0.00 0.00 31.44 27.03 1mx7 n GLU 122 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1mx7 n GLY 123 N -0.71 1.83 3.67 8.31 0.00 -1.26 -5.00 105.19 112.03 1mx7 n GLY 123 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.78 4.94 -0.26 1.61 1.01 0.19 -5.04 120.40 120.08 1mx7 s VAL 124 Ca 0.00 1.48 -0.09 0.00 0.00 0.00 0.00 61.98 63.37 1mx7 s VAL 124 Cb 0.00 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1mx7 s VAL 124 CO 0.00 0.08 0.12 -0.89 0.00 0.00 0.00 175.10 174.41 1mx7 s THR 125 N 1.94 4.76 -0.08 3.92 2.01 -1.26 -2.02 115.64 124.90 1mx7 s THR 125 Ca 0.35 -0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.36 1mx7 s THR 125 Cb -0.16 -3.24 0.01 0.00 0.01 0.00 0.00 72.50 69.11 1mx7 s THR 125 CO 0.12 0.31 -0.17 0.00 -0.69 0.00 0.00 174.62 174.19 1mx7 s LYS 127 N 0.58 2.19 -0.40 0.00 1.02 -1.21 -0.77 119.74 121.15 1mx7 s LYS 127 Ca -0.15 -2.05 0.05 0.00 0.02 0.00 0.00 55.97 53.83 1mx7 s LYS 127 Cb -0.17 -1.85 0.17 0.00 -0.52 0.00 0.00 37.83 35.47 1mx7 s LYS 127 CO 0.05 -0.27 0.47 -0.65 -0.92 0.00 0.00 175.35 174.04 1mx7 s GLN 128 N -3.95 0.74 -0.12 1.68 -0.21 -1.23 -2.81 119.66 113.78 1mx7 s GLN 128 Ca 0.30 -0.79 -0.29 0.00 0.02 0.00 0.00 55.36 54.59 1mx7 s GLN 128 Cb 0.03 -0.48 -0.04 0.00 1.00 0.00 0.00 33.01 33.52 1mx7 s GLN 128 CO 0.17 -1.22 1.52 0.08 -2.12 0.00 0.00 175.29 173.72 1mx7 s VAL 129 N 1.41 3.83 0.51 1.09 1.01 0.30 -3.69 120.40 124.86 1mx7 s VAL 129 Ca 0.19 1.00 0.09 0.00 0.00 0.00 0.00 61.98 63.25 1mx7 s VAL 129 Cb -0.10 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.65 1mx7 s VAL 129 CO -0.05 -0.13 0.66 -0.36 0.00 0.00 0.00 175.10 175.22 1mx7 s PHE 130 N 4.05 2.02 -0.37 5.22 0.40 -0.87 -0.40 117.98 128.03 1mx7 s PHE 130 Ca 0.67 -0.60 0.02 0.00 -0.60 0.00 0.00 56.93 56.42 1mx7 s PHE 130 Cb -0.28 -2.25 0.15 0.00 0.51 0.00 0.00 43.02 41.15 1mx7 s PHE 130 CO 0.25 -0.78 0.29 0.21 0.70 0.00 0.00 175.22 175.89 1mx7 s LYS 131 N -4.49 0.62 -0.61 0.44 2.47 -1.02 -4.00 119.74 113.14 1mx7 s LYS 131 Ca 0.57 -1.24 -0.26 0.00 -1.56 0.00 0.00 55.97 53.48 1mx7 s LYS 131 Cb -0.07 -1.08 -0.05 0.00 -1.46 0.00 0.00 37.83 35.17 1mx7 s LYS 131 CO 0.35 -1.23 2.14 0.21 0.16 0.00 0.00 175.35 176.98 1mx7 s LYS 132 N 1.09 2.31 0.36 4.03 2.20 -0.48 -3.82 119.74 125.42 1mx7 s LYS 132 Ca 0.19 0.82 0.09 0.00 -0.36 0.00 0.00 55.97 56.71 1mx7 s LYS 132 Cb -0.17 -4.57 0.83 0.00 -1.51 0.00 0.00 37.83 32.40 1mx7 s LYS 132 CO -0.02 -3.19 1.86 -0.24 -0.36 0.00 0.00 175.35 173.40 1mx7 h VAL 133 N 7.32 0.81 0.00 4.02 3.04 -1.80 -3.44 116.25 126.20 1mx7 h VAL 133 Ca -0.19 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 1mx7 h VAL 133 Cb 1.17 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 1mx7 h VAL 133 CO 1.17 0.12 0.00 1.57 -1.01 0.00 0.00 177.57 179.43