#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 -3.66 0.52 0.31 -1.26 -5.11 118.33 109.13 1mx7 n VAL 2 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 1mx7 n VAL 2 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 1mx7 n VAL 2 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1mx7 s ASP 3 N 0.00 -0.62 -0.01 4.52 -1.08 -1.26 -5.07 116.67 113.15 1mx7 s ASP 3 Ca 0.00 1.22 -0.20 0.00 -0.52 0.00 0.00 52.55 53.05 1mx7 s ASP 3 Cb 0.00 1.65 -0.29 0.00 -1.46 0.00 0.00 42.92 42.82 1mx7 s ASP 3 CO 0.00 -0.23 1.00 -0.26 0.52 0.00 0.00 175.17 176.21 1mx7 h PHE 4 N 7.97 0.66 -1.24 -5.34 -1.00 -2.01 -3.47 116.94 112.51 1mx7 h PHE 4 Ca -0.19 -0.43 -0.78 0.00 2.81 0.00 0.00 57.97 59.38 1mx7 h PHE 4 Cb 1.12 -0.05 0.03 0.00 3.61 0.00 0.00 35.95 40.66 1mx7 h PHE 4 CO 0.23 1.29 0.49 0.09 -1.61 0.00 0.00 178.31 178.79 1mx7 n ASN 5 N -4.09 1.15 0.00 2.17 3.02 -1.26 -4.55 115.26 111.70 1mx7 n ASN 5 Ca -0.13 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.57 1mx7 n ASN 5 Cb 0.81 -1.01 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 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 2.96 -1.27 3.60 7.41 0.00 -1.21 -4.99 105.19 111.69 1mx7 n GLY 6 Ca 0.24 0.47 0.01 0.00 0.00 0.00 0.00 46.02 46.74 1mx7 n GLY 6 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1mx7 s TYR 7 N 0.00 -0.27 -0.19 1.61 6.14 -1.26 -4.71 117.35 118.66 1mx7 s TYR 7 Ca 0.00 0.54 0.00 0.00 0.64 0.00 0.00 57.07 58.25 1mx7 s TYR 7 Cb 0.00 0.16 0.05 0.00 0.42 0.00 0.00 41.96 42.59 1mx7 s TYR 7 CO 0.00 -0.14 -0.07 -1.58 0.64 0.00 0.00 175.55 174.41 1mx7 s TRP 8 N 1.30 2.02 0.75 4.97 0.52 -0.92 -2.99 118.94 124.60 1mx7 s TRP 8 Ca -0.07 -1.34 -0.05 0.00 0.02 0.00 0.00 56.10 54.65 1mx7 s TRP 8 Cb -0.03 -1.45 0.12 0.00 -1.15 0.00 0.00 33.47 30.96 1mx7 s TRP 8 CO -0.12 -0.68 1.05 -1.59 0.02 0.00 0.00 176.95 175.62 1mx7 s LYS 9 N 1.53 1.66 0.10 4.98 0.00 -0.92 -1.41 119.74 125.68 1mx7 s LYS 9 Ca -0.01 -0.74 0.08 0.00 0.00 0.00 0.00 55.97 55.30 1mx7 s LYS 9 Cb -0.16 -2.21 -0.04 0.00 0.00 0.00 0.00 37.83 35.42 1mx7 s LYS 9 CO -0.08 -1.53 -0.15 0.00 0.00 0.00 0.00 175.35 173.59 1mx7 s MET 10 N -5.29 1.96 0.00 1.78 0.23 -1.26 -1.53 119.30 115.19 1mx7 s MET 10 Ca 0.66 -1.09 0.06 0.00 -1.03 0.00 0.00 55.69 54.29 1mx7 s MET 10 Cb -0.07 -2.20 0.04 0.00 -1.53 0.00 0.00 34.83 31.07 1mx7 s MET 10 CO 0.46 0.50 0.66 -0.11 -2.03 0.00 0.00 175.02 174.50 1mx7 n LEU 11 N 0.86 1.42 0.00 0.18 0.00 -0.16 -4.91 117.00 114.39 1mx7 n LEU 11 Ca -0.15 -0.96 0.00 0.00 0.00 0.00 0.00 56.01 54.90 1mx7 n LEU 11 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.94 1mx7 n LEU 11 CO 0.30 0.30 0.00 -0.24 0.00 0.00 0.00 177.39 177.75 1mx7 n SER 12 N 0.24 0.00 -3.68 1.96 2.88 -1.24 -4.93 113.62 108.86 1mx7 n SER 12 Ca 0.03 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.44 1mx7 n SER 12 Cb 0.15 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.48 1mx7 n SER 12 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1mx7 s ASN 13 N 0.00 0.22 0.01 -3.46 3.84 -1.26 -2.61 114.94 111.68 1mx7 s ASN 13 Ca 0.00 0.58 0.02 0.00 0.21 0.00 0.00 52.86 53.67 1mx7 s ASN 13 Cb 0.00 0.63 -0.01 0.00 -0.55 0.00 0.00 41.25 41.32 1mx7 s ASN 13 CO 0.00 -0.22 -0.06 -0.70 -2.79 0.00 0.00 177.10 173.32 1mx7 s GLU 14 N 2.15 0.48 -1.64 0.43 2.12 -0.58 -4.82 118.70 116.83 1mx7 s GLU 14 Ca -0.01 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 54.89 1mx7 s GLU 14 Cb -0.12 -0.38 0.00 0.00 0.26 0.00 0.00 34.13 33.89 1mx7 s GLU 14 CO -0.09 0.09 0.00 0.09 -0.54 0.00 0.00 175.26 174.82 1mx7 n ASN 15 N 2.35 -5.45 0.15 -1.70 4.13 -1.26 -2.48 115.26 111.00 1mx7 n ASN 15 Ca -0.17 0.01 0.03 0.00 1.68 0.00 0.00 54.58 56.13 1mx7 n ASN 15 Cb 0.57 -4.51 0.15 0.00 -1.54 0.00 0.00 39.78 34.45 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 0.00 -0.06 3.10 -5.15 -1.93 -2.90 116.94 110.00 1mx7 h PHE 16 Ca -0.45 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 57.19 1mx7 h PHE 16 Cb 1.33 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.48 1mx7 h PHE 16 CO 0.51 0.51 -0.56 0.93 -2.00 0.00 0.00 178.31 177.69 1mx7 h GLU 17 N 0.00 0.19 0.00 6.09 5.08 -1.95 -2.62 114.58 121.37 1mx7 h GLU 17 Ca -0.01 -0.12 -0.18 0.00 -1.00 0.00 0.00 59.36 58.05 1mx7 h GLU 17 Cb 1.20 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1mx7 h GLU 17 CO 0.07 0.70 -0.87 0.93 -1.00 0.00 0.00 179.01 178.84 1mx7 h GLU 18 N 0.15 0.00 -0.37 2.33 3.07 -1.96 -2.89 114.58 114.91 1mx7 h GLU 18 Ca -0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 1mx7 h GLU 18 Cb 1.03 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.92 1mx7 h GLU 18 CO 0.08 0.87 -0.11 -0.92 -1.40 0.00 0.00 179.01 177.54 1mx7 h TYR 19 N 0.00 0.69 0.02 4.33 5.03 -1.28 0.72 116.97 126.48 1mx7 h TYR 19 Ca -0.01 -0.11 -0.22 0.00 2.58 0.00 0.00 58.73 60.97 1mx7 h TYR 19 Cb 1.61 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 39.70 1mx7 h TYR 19 CO 0.00 0.72 -0.96 -0.07 -1.32 0.00 0.00 178.16 176.53 1mx7 h LEU 20 N 0.59 0.31 -0.87 2.82 3.38 -1.45 -2.98 115.31 117.11 1mx7 h LEU 20 Ca 0.11 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1mx7 h LEU 20 Cb 0.53 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1mx7 h LEU 20 CO 0.03 1.11 -0.26 -0.09 0.09 0.00 0.00 178.44 179.32 1mx7 h ARG 21 N 0.12 0.00 -0.08 1.13 1.12 -1.28 0.15 114.38 115.54 1mx7 h ARG 21 Ca -0.06 0.00 -0.18 0.00 -1.11 0.00 0.00 59.98 58.63 1mx7 h ARG 21 Cb 1.62 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.57 1mx7 h ARG 21 CO 0.15 0.26 -0.70 0.00 -3.11 0.00 0.00 179.97 176.57 1mx7 h ALA 22 N 1.74 0.64 -0.02 2.80 0.00 -0.70 -3.32 119.26 120.39 1mx7 h ALA 22 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1mx7 h ALA 22 Cb 0.87 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1mx7 h ALA 22 CO 0.03 0.76 0.00 1.47 0.00 0.00 0.00 179.25 181.51 1mx7 n LEU 23 N -3.85 1.85 -3.04 0.00 -0.00 -1.17 -4.66 117.00 106.14 1mx7 n LEU 23 Ca -0.04 -1.78 -0.13 0.00 -0.00 0.00 0.00 56.01 54.06 1mx7 n LEU 23 Cb 0.69 -0.01 0.01 0.00 -0.00 0.00 0.00 43.42 44.11 1mx7 n LEU 23 CO 0.47 0.46 0.02 -0.67 -0.00 0.00 0.00 177.39 177.67 1mx7 n ASP 24 N -0.32 -7.36 -2.71 1.45 -0.08 0.49 -4.94 116.55 103.08 1mx7 n ASP 24 Ca 0.01 0.26 -0.28 0.00 -1.51 0.00 0.00 54.79 53.27 1mx7 n ASP 24 Cb 0.21 -4.54 -0.01 0.00 2.34 0.00 0.00 41.12 39.11 1mx7 n ASP 24 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1mx7 n VAL 25 N -0.58 2.81 -1.66 5.18 3.14 -0.92 -4.97 118.33 121.32 1mx7 n VAL 25 Ca 0.05 -5.21 0.00 0.00 -2.96 0.00 0.00 64.34 56.22 1mx7 n VAL 25 Cb 0.52 -1.33 0.00 0.00 -1.06 0.00 0.00 33.84 31.97 1mx7 n VAL 25 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1mx7 n ASN 26 N -0.38 -8.93 0.10 6.55 2.04 -1.26 -4.53 115.26 108.85 1mx7 n ASN 26 Ca 0.37 1.70 -0.05 0.00 -0.44 0.00 0.00 54.58 56.16 1mx7 n ASN 26 Cb 0.53 -5.27 0.02 0.00 -2.53 0.00 0.00 39.78 32.52 1mx7 n ASN 26 CO 0.00 0.00 0.00 -0.37 -0.44 0.00 0.00 177.26 176.45 1mx7 h VAL 27 N 0.81 1.55 0.00 3.53 -1.51 -1.97 -3.24 116.25 115.42 1mx7 h VAL 27 Ca 0.00 -2.71 -0.07 0.00 -1.23 0.00 0.00 66.70 62.68 1mx7 h VAL 27 Cb 0.60 2.48 -0.01 0.00 -2.13 0.00 0.00 31.29 32.23 1mx7 h VAL 27 CO 0.00 0.78 -0.36 0.00 -1.23 0.00 0.00 177.57 176.76 1mx7 h ALA 28 N 1.14 1.27 0.03 5.19 0.00 -2.02 -3.04 119.26 121.84 1mx7 h ALA 28 Ca -0.02 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 54.35 1mx7 h ALA 28 Cb 1.44 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1mx7 h ALA 28 CO 0.11 0.45 -0.99 1.25 0.00 0.00 0.00 179.25 180.06 1mx7 h LEU 29 N 0.00 0.24 -1.31 0.00 5.85 -1.79 -3.20 115.31 115.11 1mx7 h LEU 29 Ca -0.00 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 1mx7 h LEU 29 Cb 0.69 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1mx7 h LEU 29 CO 0.05 1.09 -0.11 -0.09 -0.34 0.00 0.00 178.44 179.04 1mx7 h ARG 30 N 0.08 0.33 -0.10 1.25 2.43 -1.59 0.51 114.38 117.29 1mx7 h ARG 30 Ca -0.06 -0.08 -0.21 0.00 -0.81 0.00 0.00 59.98 58.82 1mx7 h ARG 30 Cb 1.68 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 31.20 1mx7 h ARG 30 CO 0.15 0.45 -0.76 -0.22 -1.51 0.00 0.00 179.97 178.08 1mx7 h LYS 31 N 0.31 0.69 -0.00 0.20 3.64 -1.63 -2.96 116.57 116.82 1mx7 h LYS 31 Ca 0.06 -0.61 -0.02 0.00 -1.27 0.00 0.00 60.65 58.82 1mx7 h LYS 31 Cb 0.39 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1mx7 h LYS 31 CO 0.02 1.22 -0.07 0.82 -2.27 0.00 0.00 179.45 179.17 1mx7 h ILE 32 N 0.37 1.57 -0.96 2.00 1.08 -1.50 -3.34 117.51 116.72 1mx7 h ILE 32 Ca -0.07 -1.78 0.05 0.00 -0.39 0.00 0.00 64.86 62.67 1mx7 h ILE 32 Cb 1.41 2.75 -0.06 0.00 -3.07 0.00 0.00 36.82 37.84 1mx7 h ILE 32 CO 0.15 0.47 0.62 0.00 -0.69 0.00 0.00 178.15 178.71 1mx7 h ALA 33 N 0.27 1.29 -0.75 1.87 0.00 -1.02 -2.57 119.26 118.35 1mx7 h ALA 33 Ca -0.01 -0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.09 1mx7 h ALA 33 Cb 0.81 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1mx7 h ALA 33 CO 0.01 0.47 0.55 -2.95 0.00 0.00 0.00 179.25 177.33 1mx7 h ASN 34 N 1.18 0.00 -0.41 0.00 7.08 -1.64 0.31 115.58 122.10 1mx7 h ASN 34 Ca 0.39 0.00 -0.11 0.00 -3.08 0.00 0.00 56.30 53.50 1mx7 h ASN 34 Cb 0.06 0.00 -0.07 0.00 -2.08 0.00 0.00 38.32 36.23 1mx7 h ASN 34 CO -0.14 0.00 0.06 0.00 -2.08 0.00 0.00 177.43 175.26 1mx7 n LEU 35 N -4.29 4.52 -4.16 6.14 -0.00 -0.97 -4.92 117.00 113.32 1mx7 n LEU 35 Ca 0.15 -3.30 -0.28 0.00 -0.00 0.00 0.00 56.01 52.57 1mx7 n LEU 35 Cb 0.83 -0.62 -0.16 0.00 -0.00 0.00 0.00 43.42 43.46 1mx7 n LEU 35 CO 0.38 0.88 -0.52 -0.22 -0.00 0.00 0.00 177.39 177.91 1mx7 s LEU 36 N -3.00 1.94 -0.29 1.47 0.20 0.11 -5.11 118.68 113.99 1mx7 s LEU 36 Ca 0.46 -0.43 0.03 0.00 0.69 0.00 0.00 54.13 54.88 1mx7 s LEU 36 Cb 0.39 -1.14 0.08 0.00 -0.43 0.00 0.00 46.19 45.08 1mx7 s LEU 36 CO 0.07 0.15 -0.04 -0.54 -0.29 0.00 0.00 176.35 175.70 1mx7 s LYS 37 N 0.22 1.96 0.00 1.98 -0.14 -1.26 -4.90 119.74 117.59 1mx7 s LYS 37 Ca -0.10 -1.56 0.00 0.00 -1.36 0.00 0.00 55.97 52.95 1mx7 s LYS 37 Cb -0.15 -3.04 0.00 0.00 -1.68 0.00 0.00 37.83 32.97 1mx7 s LYS 37 CO 0.05 -0.72 0.00 -2.30 -0.76 0.00 0.00 175.35 171.62 1mx7 n PRO 38 N 4.37 2.75 0.00 -1.68 -0.02 -1.26 -4.97 135.00 134.18 1mx7 n PRO 38 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1mx7 n PRO 38 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 1mx7 n PRO 38 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1mx7 n ASP 39 N 0.00 0.00 -4.90 2.55 9.92 -0.73 -4.64 116.55 118.75 1mx7 n ASP 39 Ca 0.00 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.97 1mx7 n ASP 39 Cb 0.00 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 40.56 1mx7 n ASP 39 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1mx7 s LYS 40 N 0.00 2.20 -0.11 -1.24 -0.14 -0.50 -2.50 119.74 117.45 1mx7 s LYS 40 Ca 0.00 0.20 -0.31 0.00 -1.36 0.00 0.00 55.97 54.50 1mx7 s LYS 40 Cb 0.00 -1.97 0.10 0.00 -1.68 0.00 0.00 37.83 34.28 1mx7 s LYS 40 CO 0.00 -1.45 0.85 -2.00 -0.76 0.00 0.00 175.35 171.99 1mx7 s GLU 41 N -5.52 0.81 0.09 1.68 -6.30 -1.00 -2.16 118.70 106.31 1mx7 s GLU 41 Ca 0.61 0.20 0.03 0.00 -2.50 0.00 0.00 54.97 53.32 1mx7 s GLU 41 Cb -0.11 0.38 -0.03 0.00 0.00 0.00 0.00 34.13 34.37 1mx7 s GLU 41 CO 0.50 -0.25 -0.10 0.42 0.02 0.00 0.00 175.26 175.85 1mx7 s ILE 42 N -1.14 0.85 -0.12 -3.70 -1.09 -1.26 -2.29 121.20 112.45 1mx7 s ILE 42 Ca -0.06 -1.55 -0.06 0.00 -2.23 0.00 0.00 60.65 56.74 1mx7 s ILE 42 Cb -0.00 -1.25 0.05 0.00 -1.58 0.00 0.00 42.46 39.68 1mx7 s ILE 42 CO 0.06 -0.54 0.29 -0.69 -1.23 0.00 0.00 174.94 172.83 1mx7 s VAL 43 N -2.32 -0.05 -0.21 2.92 1.01 -0.78 -3.31 120.40 117.67 1mx7 s VAL 43 Ca 0.03 0.14 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 1mx7 s VAL 43 Cb -0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 1mx7 s VAL 43 CO -0.00 0.06 -0.01 -1.58 0.00 0.00 0.00 175.10 173.56 1mx7 s GLN 44 N 1.34 3.53 -0.18 2.72 0.74 -1.26 -0.90 119.66 125.65 1mx7 s GLN 44 Ca -0.09 -0.56 -0.29 0.00 0.05 0.00 0.00 55.36 54.47 1mx7 s GLN 44 Cb -0.10 -3.06 0.11 0.00 1.10 0.00 0.00 33.01 31.06 1mx7 s GLN 44 CO -0.10 -0.07 0.92 0.34 -0.55 0.00 0.00 175.29 175.83 1mx7 s ASP 45 N 1.19 -0.48 1.24 6.67 2.15 -1.26 -4.91 116.67 121.27 1mx7 s ASP 45 Ca 0.03 0.67 0.00 0.00 0.43 0.00 0.00 52.55 53.68 1mx7 s ASP 45 Cb -0.15 0.59 0.00 0.00 -0.30 0.00 0.00 42.92 43.07 1mx7 s ASP 45 CO 0.00 -0.34 0.00 0.61 -0.17 0.00 0.00 175.17 175.27 1mx7 n GLY 46 N 1.30 1.57 1.89 2.66 0.00 -1.26 -2.28 105.19 109.07 1mx7 n GLY 46 Ca -0.13 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 10.43 4.18 -0.05 1.61 9.92 -1.26 -5.01 116.55 136.37 1mx7 n ASP 47 Ca 0.00 -3.13 0.00 0.00 -0.53 0.00 0.00 54.79 51.13 1mx7 n ASP 47 Cb 0.00 -0.74 0.00 0.00 -0.64 0.00 0.00 41.12 39.74 1mx7 n ASP 47 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1mx7 n HIS 48 N -0.32 -0.50 0.00 1.24 8.25 -0.97 0.83 115.22 123.75 1mx7 n HIS 48 Ca 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.86 1mx7 n HIS 48 Cb 1.32 0.04 0.00 0.00 1.12 0.00 0.00 29.99 32.46 1mx7 n HIS 48 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1mx7 n MET 49 N -0.10 0.00 -3.49 -0.41 1.56 -1.26 -2.97 117.12 110.45 1mx7 n MET 49 Ca 0.00 0.00 -0.20 0.00 -0.27 0.00 0.00 57.70 57.23 1mx7 n MET 49 Cb 0.00 0.00 -0.13 0.00 2.15 0.00 0.00 33.22 35.24 1mx7 n MET 49 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 1mx7 s ILE 50 N 0.00 -0.29 -0.14 1.12 1.01 -0.08 0.16 121.20 122.98 1mx7 s ILE 50 Ca 0.00 -0.29 -0.13 0.00 0.00 0.00 0.00 60.65 60.23 1mx7 s ILE 50 Cb 0.00 -0.78 -0.05 0.00 0.01 0.00 0.00 42.46 41.64 1mx7 s ILE 50 CO 0.00 -0.34 0.30 -0.63 0.00 0.00 0.00 174.94 174.27 1mx7 s ILE 51 N 2.29 5.29 -0.02 2.92 1.09 -1.26 -1.87 121.20 129.64 1mx7 s ILE 51 Ca 0.07 0.56 0.08 0.00 -1.10 0.00 0.00 60.65 60.26 1mx7 s ILE 51 Cb -0.15 -3.63 -0.02 0.00 -1.06 0.00 0.00 42.46 37.60 1mx7 s ILE 51 CO -0.20 0.42 -0.26 -0.13 -0.10 0.00 0.00 174.94 174.68 1mx7 s ARG 52 N 0.20 2.11 0.06 2.79 0.52 -0.97 -2.42 118.95 121.25 1mx7 s ARG 52 Ca 0.17 -0.92 0.10 0.00 -0.52 0.00 0.00 55.73 54.56 1mx7 s ARG 52 Cb -0.13 -2.03 -0.03 0.00 0.52 0.00 0.00 34.95 33.28 1mx7 s ARG 52 CO 0.05 0.55 -0.26 0.99 0.02 0.00 0.00 175.30 176.65 1mx7 s THR 53 N -0.59 2.13 0.03 0.02 2.01 -1.22 -2.37 115.64 115.64 1mx7 s THR 53 Ca 0.10 -1.46 0.00 0.00 0.31 0.00 0.00 61.69 60.64 1mx7 s THR 53 Cb -0.10 -1.84 -0.02 0.00 0.01 0.00 0.00 72.50 70.55 1mx7 s THR 53 CO -0.01 0.29 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.41 1mx7 s LEU 54 N -1.43 2.25 -0.08 4.42 1.43 -1.04 -4.16 118.68 120.08 1mx7 s LEU 54 Ca 0.12 -0.53 -0.32 0.00 -1.03 0.00 0.00 54.13 52.37 1mx7 s LEU 54 Cb -0.10 0.05 0.12 0.00 0.03 0.00 0.00 46.19 46.30 1mx7 s LEU 54 CO 0.03 -0.29 1.39 -0.94 0.23 0.00 0.00 176.35 176.77 1mx7 s SER 55 N -1.55 -0.00 0.48 2.29 1.04 -1.26 -1.78 113.70 112.92 1mx7 s SER 55 Ca -0.14 -0.03 0.28 0.00 0.48 0.00 0.00 55.95 56.54 1mx7 s SER 55 Cb -0.09 0.03 1.04 0.00 0.10 0.00 0.00 66.02 67.10 1mx7 s SER 55 CO -0.01 -0.06 1.87 0.71 0.98 0.00 0.00 173.24 176.73 1mx7 h THR 56 N 2.00 0.29 -3.35 2.02 1.35 -1.98 -3.45 112.91 109.78 1mx7 h THR 56 Ca -0.27 -0.88 -0.46 0.00 -0.55 0.00 0.00 66.41 64.26 1mx7 h THR 56 Cb 1.18 1.69 0.10 0.00 -1.73 0.00 0.00 68.15 69.39 1mx7 h THR 56 CO 0.30 0.12 0.23 0.12 -0.25 0.00 0.00 175.52 176.04 1mx7 s PHE 57 N -3.61 2.24 -0.03 4.73 5.36 -1.26 -4.97 117.98 120.44 1mx7 s PHE 57 Ca 0.01 0.20 -0.38 0.00 -0.96 0.00 0.00 56.93 55.81 1mx7 s PHE 57 Cb 0.09 -3.35 -0.17 0.00 -0.34 0.00 0.00 43.02 39.26 1mx7 s PHE 57 CO 0.60 -1.77 1.43 -2.13 -1.46 0.00 0.00 175.22 171.90 1mx7 n ARG 58 N -3.08 1.04 -3.04 10.12 3.00 -1.26 -4.98 116.66 118.46 1mx7 n ARG 58 Ca 0.12 0.38 -0.19 0.00 -0.00 0.00 0.00 57.85 58.15 1mx7 n ARG 58 Cb 0.60 -2.02 0.05 0.00 0.00 0.00 0.00 32.46 31.10 1mx7 n ARG 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1mx7 s ASN 59 N 1.32 5.18 -0.19 6.15 4.22 -1.26 -4.92 114.94 125.44 1mx7 s ASN 59 Ca 0.89 -0.79 -0.26 0.00 -2.14 0.00 0.00 52.86 50.57 1mx7 s ASN 59 Cb -1.02 0.16 0.07 0.00 1.28 0.00 0.00 41.25 41.73 1mx7 s ASN 59 CO 0.53 -1.26 0.68 -0.72 -2.04 0.00 0.00 177.10 174.30 1mx7 s TYR 60 N -2.62 -0.72 0.17 1.54 -0.85 -1.26 -5.06 117.35 108.55 1mx7 s TYR 60 Ca 0.61 1.61 0.09 0.00 -0.52 0.00 0.00 57.07 58.86 1mx7 s TYR 60 Cb -0.06 0.30 -0.04 0.00 0.38 0.00 0.00 41.96 42.53 1mx7 s TYR 60 CO 0.38 -0.44 -0.14 0.42 -1.52 0.00 0.00 175.55 174.25 1mx7 s ILE 61 N -0.12 2.96 0.33 -3.49 -1.09 -1.26 -3.44 121.20 115.09 1mx7 s ILE 61 Ca -0.03 -1.69 0.06 0.00 -2.23 0.00 0.00 60.65 56.75 1mx7 s ILE 61 Cb -0.03 -2.44 -0.02 0.00 -1.58 0.00 0.00 42.46 38.39 1mx7 s ILE 61 CO 0.04 -0.07 0.20 0.23 -1.23 0.00 0.00 174.94 174.11 1mx7 n MET 62 N 0.24 0.47 -3.67 2.79 2.81 -1.01 -5.07 117.12 113.68 1mx7 n MET 62 Ca -0.12 -3.03 -0.10 0.00 -1.81 0.00 0.00 57.70 52.64 1mx7 n MET 62 Cb 0.55 2.12 -0.11 0.00 -0.71 0.00 0.00 33.22 35.08 1mx7 n MET 62 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1mx7 s ASP 63 N -3.15 -0.14 0.00 7.83 2.15 -1.26 -4.07 116.67 118.03 1mx7 s ASP 63 Ca 0.28 0.84 0.00 0.00 0.43 0.00 0.00 52.55 54.11 1mx7 s ASP 63 Cb 0.01 1.03 0.00 0.00 -0.30 0.00 0.00 42.92 43.66 1mx7 s ASP 63 CO 0.20 -0.22 0.00 0.49 -0.17 0.00 0.00 175.17 175.47 1mx7 n PHE 64 N 5.13 0.00 -0.63 -5.34 3.01 -0.30 -4.94 117.46 114.39 1mx7 n PHE 64 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1mx7 n PHE 64 Cb 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 1mx7 n PHE 64 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1mx7 n GLN 65 N 0.00 0.00 -1.65 -1.08 6.02 0.12 -4.87 117.38 115.92 1mx7 n GLN 65 Ca 0.00 0.39 -0.45 0.00 -0.01 0.00 0.00 57.00 56.93 1mx7 n GLN 65 Cb 0.00 -0.23 -0.03 0.00 1.02 0.00 0.00 30.24 31.00 1mx7 n GLN 65 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1mx7 n VAL 66 N 0.65 1.03 -2.81 5.09 0.31 0.24 -3.63 118.33 119.20 1mx7 n VAL 66 Ca 0.00 -0.26 -0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1mx7 n VAL 66 Cb 0.00 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 1mx7 n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mx7 n GLY 67 N 2.03 -1.10 3.65 2.92 0.00 -1.23 -4.83 105.19 106.63 1mx7 n GLY 67 Ca 0.12 0.40 -0.02 0.00 0.00 0.00 0.00 46.02 46.52 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 -2.97 0.03 -0.14 1.61 2.20 -1.24 -5.07 119.74 114.17 1mx7 s LYS 68 Ca 0.01 0.01 -0.12 0.00 -0.36 0.00 0.00 55.97 55.51 1mx7 s LYS 68 Cb -0.00 0.01 -0.05 0.00 -1.51 0.00 0.00 37.83 36.28 1mx7 s LYS 68 CO 0.64 -0.01 0.25 -2.00 -0.36 0.00 0.00 175.35 173.87 1mx7 s GLU 69 N -0.85 4.04 -0.26 4.03 2.12 -1.26 -3.99 118.70 122.53 1mx7 s GLU 69 Ca 0.09 0.04 -0.02 0.00 0.36 0.00 0.00 54.97 55.44 1mx7 s GLU 69 Cb -0.02 -3.35 0.12 0.00 0.26 0.00 0.00 34.13 31.14 1mx7 s GLU 69 CO -0.10 0.42 0.27 -0.59 -0.54 0.00 0.00 175.26 174.72 1mx7 s PHE 70 N -0.05 -0.37 0.14 5.30 -0.71 -0.91 -5.04 117.98 116.33 1mx7 s PHE 70 Ca 0.16 -0.07 -0.31 0.00 -1.04 0.00 0.00 56.93 55.67 1mx7 s PHE 70 Cb -0.13 -0.44 -0.11 0.00 -1.21 0.00 0.00 43.02 41.13 1mx7 s PHE 70 CO 0.04 -0.82 1.82 -2.00 -1.34 0.00 0.00 175.22 172.93 1mx7 s GLU 71 N 2.34 4.13 -0.54 1.99 2.12 -1.26 -3.74 118.70 123.74 1mx7 s GLU 71 Ca 0.09 2.62 -0.06 0.00 0.36 0.00 0.00 54.97 57.98 1mx7 s GLU 71 Cb -0.15 -3.50 0.14 0.00 0.26 0.00 0.00 34.13 30.88 1mx7 s GLU 71 CO -0.27 -0.83 0.38 -1.21 -0.54 0.00 0.00 175.26 172.78 1mx7 s GLU 72 N 2.47 2.48 -1.23 4.30 0.41 -0.49 -4.99 118.70 121.64 1mx7 s GLU 72 Ca 0.80 -2.09 -0.20 0.00 -0.41 0.00 0.00 54.97 53.07 1mx7 s GLU 72 Cb -0.47 -3.82 0.02 0.00 -1.78 0.00 0.00 34.13 28.08 1mx7 s GLU 72 CO 0.36 -1.16 1.78 -0.51 -0.49 0.00 0.00 175.26 175.24 1mx7 s ASP 73 N 1.77 6.23 -0.04 -0.19 1.11 -1.26 -3.01 116.67 121.27 1mx7 s ASP 73 Ca 0.11 -2.09 -0.30 0.00 0.18 0.00 0.00 52.55 50.45 1mx7 s ASP 73 Cb -0.22 -2.58 -0.06 0.00 1.07 0.00 0.00 42.92 41.13 1mx7 s ASP 73 CO -0.03 -1.81 1.61 -0.76 1.18 0.00 0.00 175.17 175.36 1mx7 s LEU 74 N 6.48 4.32 -0.29 1.23 1.02 -1.20 -4.94 118.68 125.31 1mx7 s LEU 74 Ca 0.58 2.22 0.06 0.00 0.02 0.00 0.00 54.13 57.01 1mx7 s LEU 74 Cb 0.02 -3.54 0.20 0.00 0.02 0.00 0.00 46.19 42.89 1mx7 s LEU 74 CO 0.08 -0.90 0.59 0.28 0.02 0.00 0.00 176.35 176.42 1mx7 s THR 75 N 3.73 -0.99 0.00 5.49 -1.32 -1.26 -2.43 115.64 118.86 1mx7 s THR 75 Ca 0.72 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 61.19 1mx7 s THR 75 Cb -0.33 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.66 1mx7 s THR 75 CO 0.29 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.30 1mx7 n GLY 76 N 5.42 -0.22 1.61 6.08 0.00 -1.26 -4.95 105.19 111.87 1mx7 n GLY 76 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.86 0.00 0.21 -0.61 5.41 -1.26 -4.89 119.36 116.36 1mx7 n ILE 77 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.85 1mx7 n ILE 77 Cb 0.00 -0.09 0.29 0.00 -0.71 0.00 0.00 39.64 39.12 1mx7 n ILE 77 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1mx7 h ASP 78 N 0.00 0.00 -0.27 4.38 3.04 -1.93 -3.47 116.42 118.17 1mx7 h ASP 78 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1mx7 h ASP 78 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1mx7 h ASP 78 CO 0.00 0.18 0.00 0.47 -2.04 0.00 0.00 179.24 177.85 1mx7 n ASP 79 N -3.20 -3.76 -0.46 4.15 9.92 -1.26 -4.90 116.55 117.05 1mx7 n ASP 79 Ca 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 1mx7 n ASP 79 Cb 0.52 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 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 -0.52 -1.32 -3.44 -1.24 0.63 -1.02 -4.72 116.66 105.03 1mx7 n ARG 80 Ca 0.00 0.97 -0.20 0.00 -0.92 0.00 0.00 57.85 57.70 1mx7 n ARG 80 Cb 0.00 -1.09 -0.00 0.00 0.45 0.00 0.00 32.46 31.82 1mx7 n ARG 80 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1mx7 s LYS 81 N -4.83 3.16 0.10 -0.14 3.01 -1.26 -3.20 119.74 116.57 1mx7 s LYS 81 Ca 0.00 -0.86 -0.25 0.00 -1.01 0.00 0.00 55.97 53.85 1mx7 s LYS 81 Cb 0.00 -2.77 0.08 0.00 -1.01 0.00 0.00 37.83 34.13 1mx7 s LYS 81 CO 0.00 0.05 0.70 0.00 0.51 0.00 0.00 175.35 176.61 1mx7 s MET 83 N -3.42 2.67 -0.03 0.00 0.00 -1.10 -1.40 119.30 116.02 1mx7 s MET 83 Ca 0.02 -0.73 0.05 0.00 0.00 0.00 0.00 55.69 55.03 1mx7 s MET 83 Cb -0.01 -2.21 -0.01 0.00 0.00 0.00 0.00 34.83 32.60 1mx7 s MET 83 CO -0.11 -0.04 -0.19 0.99 0.00 0.00 0.00 175.02 175.67 1mx7 s THR 84 N 0.91 1.56 0.03 10.11 2.01 -1.25 -2.16 115.64 126.86 1mx7 s THR 84 Ca -0.06 -0.82 0.07 0.00 0.31 0.00 0.00 61.69 61.19 1mx7 s THR 84 Cb -0.15 -1.32 -0.02 0.00 0.01 0.00 0.00 72.50 71.02 1mx7 s THR 84 CO -0.02 0.44 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.25 1mx7 s THR 85 N -0.24 1.66 0.07 -0.82 2.01 -1.26 -2.15 115.64 114.92 1mx7 s THR 85 Ca 0.02 -1.12 0.08 0.00 0.31 0.00 0.00 61.69 60.98 1mx7 s THR 85 Cb -0.10 -1.43 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 1mx7 s THR 85 CO 0.01 0.27 -0.22 0.68 -0.69 0.00 0.00 174.62 174.67 1mx7 s VAL 86 N -0.72 1.81 -0.25 3.82 -7.23 -1.26 -3.68 120.40 112.90 1mx7 s VAL 86 Ca 0.08 -1.37 -0.03 0.00 -1.81 0.00 0.00 61.98 58.84 1mx7 s VAL 86 Cb -0.09 -1.59 0.11 0.00 0.56 0.00 0.00 36.38 35.37 1mx7 s VAL 86 CO 0.01 0.15 0.21 -0.94 -0.31 0.00 0.00 175.10 174.22 1mx7 s SER 87 N -1.46 2.14 0.33 4.85 1.04 -1.24 -3.50 113.70 115.85 1mx7 s SER 87 Ca 0.09 -0.71 -0.29 0.00 0.48 0.00 0.00 55.95 55.51 1mx7 s SER 87 Cb -0.09 0.17 -0.11 0.00 0.10 0.00 0.00 66.02 66.08 1mx7 s SER 87 CO 0.03 -0.38 1.50 -1.66 0.98 0.00 0.00 173.24 173.71 1mx7 s TRP 88 N 2.26 2.74 -0.19 5.02 1.48 -1.26 -4.28 118.94 124.70 1mx7 s TRP 88 Ca 0.08 1.04 -0.14 0.00 -1.06 0.00 0.00 56.10 56.02 1mx7 s TRP 88 Cb -0.15 -3.98 -0.08 0.00 -1.16 0.00 0.00 33.47 28.10 1mx7 s TRP 88 CO -0.25 -3.04 -0.31 -0.25 -4.06 0.00 0.00 176.95 169.04 1mx7 n ASP 89 N 1.30 1.77 0.00 -2.66 8.00 -1.22 -5.07 116.55 118.66 1mx7 n ASP 89 Ca 0.04 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.84 1mx7 n ASP 89 Cb 0.39 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1mx7 n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mx7 n GLY 90 N 1.60 -1.82 1.40 0.44 0.00 -1.26 -4.95 105.19 100.60 1mx7 n GLY 90 Ca -0.30 0.66 0.09 0.00 0.00 0.00 0.00 46.02 46.47 1mx7 n GLY 90 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mx7 n ASP 91 N -0.29 4.40 -3.96 1.61 9.92 -1.26 -4.96 116.55 122.00 1mx7 n ASP 91 Ca 0.00 -2.38 -0.18 0.00 -0.53 0.00 0.00 54.79 51.70 1mx7 n ASP 91 Cb 0.00 -0.53 -0.09 0.00 -0.64 0.00 0.00 41.12 39.86 1mx7 n ASP 91 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1mx7 s LYS 92 N -1.72 1.56 -0.07 -1.24 1.02 -1.26 -3.72 119.74 114.31 1mx7 s LYS 92 Ca 0.47 -1.89 -0.05 0.00 0.02 0.00 0.00 55.97 54.52 1mx7 s LYS 92 Cb 0.30 -0.02 0.03 0.00 -0.52 0.00 0.00 37.83 37.61 1mx7 s LYS 92 CO 0.24 -0.46 0.18 -1.17 -0.92 0.00 0.00 175.35 173.22 1mx7 s LEU 93 N -3.35 1.09 0.09 3.17 1.98 -1.09 -3.46 118.68 117.11 1mx7 s LEU 93 Ca 0.37 0.37 0.07 0.00 -2.89 0.00 0.00 54.13 52.05 1mx7 s LEU 93 Cb 0.05 0.58 -0.03 0.00 0.66 0.00 0.00 46.19 47.44 1mx7 s LEU 93 CO 0.18 -0.09 -0.19 -1.10 -1.89 0.00 0.00 176.35 173.25 1mx7 s GLN 94 N 0.46 1.09 -0.04 1.98 -0.21 -1.26 -0.65 119.66 121.03 1mx7 s GLN 94 Ca -0.03 -1.08 -0.01 0.00 0.02 0.00 0.00 55.36 54.25 1mx7 s GLN 94 Cb -0.04 -1.29 0.03 0.00 1.00 0.00 0.00 33.01 32.71 1mx7 s GLN 94 CO -0.02 0.30 0.04 0.00 -2.12 0.00 0.00 175.29 173.49 1mx7 s VAL 96 N 1.83 3.44 -1.20 0.00 1.01 -1.24 -2.21 120.40 122.02 1mx7 s VAL 96 Ca 0.01 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 60.92 1mx7 s VAL 96 Cb -0.12 -2.80 0.18 0.00 0.00 0.00 0.00 36.38 33.64 1mx7 s VAL 96 CO -0.03 0.08 1.41 0.00 0.00 0.00 0.00 175.10 176.55 1mx7 n GLN 97 N 4.76 3.39 -2.36 2.72 6.02 -1.16 -4.03 117.38 126.72 1mx7 n GLN 97 Ca -0.15 -3.92 -0.35 0.00 -0.01 0.00 0.00 57.00 52.57 1mx7 n GLN 97 Cb 0.47 -2.99 -0.04 0.00 1.02 0.00 0.00 30.24 28.70 1mx7 n GLN 97 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1mx7 s LYS 98 N 1.24 3.20 0.05 -1.09 2.20 -0.92 -4.67 119.74 119.75 1mx7 s LYS 98 Ca 0.42 -0.87 -0.00 0.00 -0.36 0.00 0.00 55.97 55.16 1mx7 s LYS 98 Cb -0.04 -5.26 -0.00 0.00 -1.51 0.00 0.00 37.83 31.03 1mx7 s LYS 98 CO -0.01 -2.70 -0.00 0.41 -0.36 0.00 0.00 175.35 172.70 1mx7 n GLY 99 N 6.76 0.04 0.00 5.54 0.00 -1.26 -2.73 105.19 113.54 1mx7 n GLY 99 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.97 0.00 -1.14 1.61 4.07 -1.26 -5.00 120.64 115.95 1mx7 n GLU 100 Ca -0.00 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 56.93 1mx7 n GLU 100 Cb 0.00 -0.29 0.12 0.00 -0.06 0.00 0.00 31.44 31.21 1mx7 n GLU 100 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1mx7 n LYS 101 N -0.72 -0.77 -0.07 5.31 4.76 -1.26 -5.05 118.16 120.36 1mx7 n LYS 101 Ca 0.00 -1.23 -0.06 0.00 -2.87 0.00 0.00 58.31 54.15 1mx7 n LYS 101 Cb 0.00 -0.81 -0.11 0.00 -1.84 0.00 0.00 35.03 32.26 1mx7 n LYS 101 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1mx7 n GLU 102 N -2.67 1.60 -0.00 1.97 -0.58 -1.26 -4.77 120.64 114.93 1mx7 n GLU 102 Ca 0.10 -0.01 0.04 0.00 -0.42 0.00 0.00 57.16 56.86 1mx7 n GLU 102 Cb 0.34 -1.37 -0.06 0.00 -0.57 0.00 0.00 31.44 29.79 1mx7 n GLU 102 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mx7 n GLY 103 N 2.09 -0.25 3.40 0.62 0.00 -1.26 -4.84 105.19 104.96 1mx7 n GLY 103 Ca -0.22 -0.18 -0.52 0.00 0.00 0.00 0.00 46.02 45.10 1mx7 n GLY 103 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1mx7 n ARG 104 N -1.68 0.77 0.00 1.61 0.63 -1.26 -3.80 116.66 112.93 1mx7 n ARG 104 Ca -0.01 0.20 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 1mx7 n ARG 104 Cb 0.18 -2.22 0.00 0.00 0.45 0.00 0.00 32.46 30.87 1mx7 n ARG 104 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1mx7 n GLY 105 N 6.76 1.30 3.34 5.14 0.00 -1.25 -2.99 105.19 117.49 1mx7 n GLY 105 Ca 0.46 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.91 2.97 -0.39 1.61 0.51 -0.94 -2.72 118.94 118.06 1mx7 s TRP 106 Ca 0.00 -0.82 -0.11 0.00 -2.12 0.00 0.00 56.10 53.05 1mx7 s TRP 106 Cb 0.00 -2.10 0.04 0.00 -0.81 0.00 0.00 33.47 30.60 1mx7 s TRP 106 CO 0.00 -0.48 0.23 0.99 -0.51 0.00 0.00 176.95 177.18 1mx7 s THR 107 N 1.36 4.55 0.40 2.01 2.01 -0.92 -2.16 115.64 122.89 1mx7 s THR 107 Ca 0.04 -0.97 -0.07 0.00 0.31 0.00 0.00 61.69 61.00 1mx7 s THR 107 Cb -0.14 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.72 1mx7 s THR 107 CO -0.02 -0.31 0.71 -1.10 -0.69 0.00 0.00 174.62 173.22 1mx7 s GLN 108 N 1.54 3.66 -0.30 4.92 -0.21 0.17 -1.57 119.66 127.87 1mx7 s GLN 108 Ca 0.02 0.24 -0.13 0.00 0.02 0.00 0.00 55.36 55.51 1mx7 s GLN 108 Cb -0.20 -2.46 0.18 0.00 1.00 0.00 0.00 33.01 31.53 1mx7 s GLN 108 CO 0.06 -0.02 1.09 -0.46 -2.12 0.00 0.00 175.29 173.84 1mx7 s TRP 109 N -2.41 -0.40 0.38 0.91 -0.00 -0.81 -2.68 118.94 113.93 1mx7 s TRP 109 Ca 0.48 0.31 -0.24 0.00 -0.00 0.00 0.00 56.10 56.65 1mx7 s TRP 109 Cb -0.10 0.10 -0.10 0.00 -0.00 0.00 0.00 33.47 33.37 1mx7 s TRP 109 CO 0.35 -0.23 0.98 0.42 -0.00 0.00 0.00 176.95 178.47 1mx7 s ILE 110 N 2.96 4.11 -0.50 5.86 1.01 -1.24 -0.88 121.20 132.51 1mx7 s ILE 110 Ca 0.13 1.57 0.05 0.00 0.00 0.00 0.00 60.65 62.40 1mx7 s ILE 110 Cb -0.05 -3.79 0.18 0.00 0.01 0.00 0.00 42.46 38.80 1mx7 s ILE 110 CO -0.17 -0.03 0.42 -0.62 0.00 0.00 0.00 174.94 174.54 1mx7 n GLU 111 N 0.02 0.78 0.00 2.79 1.02 0.17 -4.90 120.64 120.53 1mx7 n GLU 111 Ca 0.04 -3.60 0.00 0.00 -0.02 0.00 0.00 57.16 53.58 1mx7 n GLU 111 Cb 0.51 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 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 2.39 1.53 0.81 0.62 0.00 -1.26 -2.29 105.19 107.00 1mx7 n GLY 112 Ca 0.26 0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.45 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 7.95 3.35 -4.14 1.61 9.92 -1.26 -4.98 116.55 128.99 1mx7 n ASP 113 Ca 0.00 -3.19 -0.24 0.00 -0.53 0.00 0.00 54.79 50.83 1mx7 n ASP 113 Cb 0.00 -0.55 -0.15 0.00 -0.64 0.00 0.00 41.12 39.78 1mx7 n ASP 113 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1mx7 s GLU 114 N -2.93 1.30 -0.21 -1.24 2.02 -0.97 -2.31 118.70 114.36 1mx7 s GLU 114 Ca 0.41 -0.57 -0.07 0.00 0.02 0.00 0.00 54.97 54.76 1mx7 s GLU 114 Cb 0.35 -1.26 -0.03 0.00 0.10 0.00 0.00 34.13 33.29 1mx7 s GLU 114 CO 0.06 0.34 0.05 -1.17 0.02 0.00 0.00 175.26 174.56 1mx7 s LEU 115 N -0.37 3.56 -0.41 1.80 0.20 -1.16 0.44 118.68 122.74 1mx7 s LEU 115 Ca 0.06 -0.09 -0.05 0.00 0.69 0.00 0.00 54.13 54.75 1mx7 s LEU 115 Cb -0.06 -1.92 0.10 0.00 -0.43 0.00 0.00 46.19 43.88 1mx7 s LEU 115 CO -0.01 0.07 0.21 -2.28 -0.29 0.00 0.00 176.35 174.06 1mx7 s HIS 116 N 0.97 3.50 -0.17 5.38 5.65 -0.06 -1.44 115.29 129.12 1mx7 s HIS 116 Ca 0.03 -2.16 -0.02 0.00 0.25 0.00 0.00 55.06 53.17 1mx7 s HIS 116 Cb -0.14 -3.12 -0.01 0.00 -1.18 0.00 0.00 32.58 28.13 1mx7 s HIS 116 CO 0.03 -0.94 -0.09 -1.17 -0.65 0.00 0.00 174.74 171.92 1mx7 s LEU 117 N 1.22 2.85 -0.38 8.88 0.20 -1.18 -1.93 118.68 128.35 1mx7 s LEU 117 Ca 0.06 -0.33 -0.04 0.00 0.69 0.00 0.00 54.13 54.52 1mx7 s LEU 117 Cb -0.23 -1.68 0.09 0.00 -0.43 0.00 0.00 46.19 43.94 1mx7 s LEU 117 CO -0.02 0.10 0.15 -0.70 -0.29 0.00 0.00 176.35 175.58 1mx7 s GLU 118 N 0.76 2.22 0.37 1.98 2.12 -0.61 -1.86 118.70 123.68 1mx7 s GLU 118 Ca -0.04 -1.60 0.01 0.00 0.36 0.00 0.00 54.97 53.70 1mx7 s GLU 118 Cb -0.15 -3.49 -0.02 0.00 0.26 0.00 0.00 34.13 30.72 1mx7 s GLU 118 CO 0.02 -0.92 0.58 1.41 -0.54 0.00 0.00 175.26 175.81 1mx7 s MET 119 N 1.22 3.37 0.27 4.30 1.75 0.12 -2.16 119.30 128.17 1mx7 s MET 119 Ca 0.04 -0.39 -0.03 0.00 -1.25 0.00 0.00 55.69 54.06 1mx7 s MET 119 Cb -0.22 -2.64 0.01 0.00 2.84 0.00 0.00 34.83 34.82 1mx7 s MET 119 CO -0.02 0.04 0.40 0.54 -0.65 0.00 0.00 175.02 175.33 1mx7 n ARG 120 N -1.86 0.58 0.00 4.11 1.74 -1.10 -0.99 116.66 119.14 1mx7 n ARG 120 Ca -0.03 -2.08 0.00 0.00 -0.77 0.00 0.00 57.85 54.97 1mx7 n ARG 120 Cb 0.57 2.07 0.00 0.00 -1.02 0.00 0.00 32.46 34.08 1mx7 n ARG 120 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mx7 n ALA 121 N -1.23 0.00 -3.35 7.54 0.00 -1.15 -3.80 120.51 118.52 1mx7 n ALA 121 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.09 1mx7 n ALA 121 Cb 0.45 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.91 1mx7 n ALA 121 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1mx7 n GLU 122 N 0.00 -4.30 -0.31 0.00 2.13 -1.26 -1.12 120.64 115.78 1mx7 n GLU 122 Ca 0.00 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.46 1mx7 n GLU 122 Cb 0.00 -5.43 0.00 0.00 0.27 0.00 0.00 31.44 26.28 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 -1.38 2.20 3.87 8.31 0.00 -1.26 -4.88 105.19 112.04 1mx7 n GLY 123 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.24 4.69 -0.19 1.61 1.01 -0.27 -5.00 120.40 119.00 1mx7 s VAL 124 Ca 0.00 0.87 -0.00 0.00 0.00 0.00 0.00 61.98 62.85 1mx7 s VAL 124 Cb 0.00 -3.79 0.04 0.00 0.00 0.00 0.00 36.38 32.63 1mx7 s VAL 124 CO 0.00 -0.84 -0.06 -0.89 0.00 0.00 0.00 175.10 173.31 1mx7 s THR 125 N -2.78 1.29 0.15 3.92 2.01 -1.26 -2.94 115.64 116.03 1mx7 s THR 125 Ca 0.55 -0.81 0.11 0.00 0.31 0.00 0.00 61.69 61.85 1mx7 s THR 125 Cb -0.10 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 1mx7 s THR 125 CO 0.41 0.10 -0.25 0.00 -0.69 0.00 0.00 174.62 174.18 1mx7 s LYS 127 N -2.32 0.75 -0.21 0.00 1.02 -1.03 0.14 119.74 118.08 1mx7 s LYS 127 Ca 0.16 -1.08 -0.04 0.00 0.02 0.00 0.00 55.97 55.03 1mx7 s LYS 127 Cb -0.09 -0.38 0.10 0.00 -0.52 0.00 0.00 37.83 36.94 1mx7 s LYS 127 CO 0.07 0.05 0.23 -0.65 -0.92 0.00 0.00 175.35 174.14 1mx7 s GLN 128 N -2.69 0.21 0.04 1.68 -0.21 -0.78 -1.53 119.66 116.39 1mx7 s GLN 128 Ca 0.02 0.21 -0.17 0.00 0.02 0.00 0.00 55.36 55.45 1mx7 s GLN 128 Cb -0.03 -1.14 -0.06 0.00 1.00 0.00 0.00 33.01 32.78 1mx7 s GLN 128 CO -0.01 -0.67 0.49 0.08 -2.12 0.00 0.00 175.29 173.06 1mx7 s VAL 129 N 2.34 4.88 0.36 1.09 1.01 -1.07 -3.12 120.40 125.89 1mx7 s VAL 129 Ca 0.07 1.01 0.06 0.00 0.00 0.00 0.00 61.98 63.12 1mx7 s VAL 129 Cb -0.16 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.35 1mx7 s VAL 129 CO -0.13 0.54 0.02 -0.36 0.00 0.00 0.00 175.10 175.17 1mx7 s PHE 130 N -1.12 2.24 -0.05 5.22 0.40 -0.52 -0.99 117.98 123.16 1mx7 s PHE 130 Ca 0.27 -0.79 -0.02 0.00 -0.60 0.00 0.00 56.93 55.79 1mx7 s PHE 130 Cb -0.18 -1.51 0.04 0.00 0.51 0.00 0.00 43.02 41.88 1mx7 s PHE 130 CO 0.16 0.26 0.09 0.21 0.70 0.00 0.00 175.22 176.64 1mx7 s LYS 131 N -3.78 -0.01 0.06 0.44 2.47 -0.58 -2.99 119.74 115.35 1mx7 s LYS 131 Ca 0.35 0.37 -0.30 0.00 -1.56 0.00 0.00 55.97 54.83 1mx7 s LYS 131 Cb 0.09 -0.32 -0.05 0.00 -1.46 0.00 0.00 37.83 36.09 1mx7 s LYS 131 CO 0.16 -0.25 1.03 0.21 0.16 0.00 0.00 175.35 176.67 1mx7 s LYS 132 N 1.70 4.58 -0.13 4.03 2.20 -0.98 -2.17 119.74 128.97 1mx7 s LYS 132 Ca -0.02 1.53 -0.10 0.00 -0.36 0.00 0.00 55.97 57.02 1mx7 s LYS 132 Cb -0.12 -3.39 -0.06 0.00 -1.51 0.00 0.00 37.83 32.75 1mx7 s LYS 132 CO -0.04 0.00 -0.23 0.28 -0.36 0.00 0.00 175.35 175.00 1mx7 n VAL 133 N 3.41 1.17 -0.62 4.02 0.31 -1.16 -4.99 118.33 120.47 1mx7 n VAL 133 Ca 0.05 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1mx7 n VAL 133 Cb 0.49 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 1mx7 n VAL 133 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08