#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 0.98 -2.16 -1.45 0.31 -1.26 -5.03 118.33 109.72 1mx7 n VAL 2 Ca 0.00 -1.13 -0.43 0.00 -0.01 0.00 0.00 64.34 62.77 1mx7 n VAL 2 Cb 0.00 0.30 -0.02 0.00 -0.91 0.00 0.00 33.84 33.20 1mx7 n VAL 2 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1mx7 s ASP 3 N -1.56 6.28 0.30 4.52 1.01 -1.26 -4.88 116.67 121.07 1mx7 s ASP 3 Ca 0.12 1.34 0.26 0.00 0.71 0.00 0.00 52.55 54.98 1mx7 s ASP 3 Cb 0.11 -2.53 0.93 0.00 1.01 0.00 0.00 42.92 42.43 1mx7 s ASP 3 CO 0.01 -1.39 1.76 -0.26 0.21 0.00 0.00 175.17 175.50 1mx7 h PHE 4 N 11.13 0.00 -2.02 4.23 -1.00 -1.96 -3.45 116.94 123.87 1mx7 h PHE 4 Ca -0.32 0.00 -0.58 0.00 2.81 0.00 0.00 57.97 59.88 1mx7 h PHE 4 Cb 1.14 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.71 1mx7 h PHE 4 CO 0.93 0.00 1.32 0.27 -1.61 0.00 0.00 178.31 179.22 1mx7 n ASN 5 N -2.44 3.49 0.00 2.17 6.94 -1.26 -4.56 115.26 119.60 1mx7 n ASN 5 Ca 0.03 0.61 0.00 0.00 -0.02 0.00 0.00 54.58 55.20 1mx7 n ASN 5 Cb 0.33 -1.48 0.00 0.00 -2.36 0.00 0.00 39.78 36.27 1mx7 n ASN 5 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1mx7 n GLY 6 N 5.17 -0.20 3.59 4.83 0.00 -1.24 -4.99 105.19 112.35 1mx7 n GLY 6 Ca 0.26 0.50 -0.06 0.00 0.00 0.00 0.00 46.02 46.72 1mx7 n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mx7 s TYR 7 N 1.13 -0.26 0.23 1.61 2.02 -1.26 -4.84 117.35 115.98 1mx7 s TYR 7 Ca 0.00 0.08 0.02 0.00 -0.37 0.00 0.00 57.07 56.80 1mx7 s TYR 7 Cb 0.00 0.57 -0.01 0.00 -0.40 0.00 0.00 41.96 42.12 1mx7 s TYR 7 CO 0.00 -0.59 0.26 -2.67 -1.57 0.00 0.00 175.55 170.98 1mx7 n TRP 8 N -0.31 -0.83 0.00 2.71 2.14 -1.26 -4.10 117.44 115.79 1mx7 n TRP 8 Ca -0.07 -1.70 0.00 0.00 2.07 0.00 0.00 57.50 57.80 1mx7 n TRP 8 Cb 0.61 0.28 0.00 0.00 -0.81 0.00 0.00 31.31 31.39 1mx7 n TRP 8 CO 0.00 0.00 0.00 0.36 2.07 0.00 0.00 177.69 180.12 1mx7 n LYS 9 N -0.40 0.00 -1.18 -2.67 2.85 -1.07 -4.57 118.16 111.11 1mx7 n LYS 9 Ca 0.03 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.91 1mx7 n LYS 9 Cb 0.39 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.80 1mx7 n LYS 9 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1mx7 n MET 10 N 0.00 0.05 -0.01 -1.58 0.00 -1.26 -2.97 117.12 111.35 1mx7 n MET 10 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 57.70 57.70 1mx7 n MET 10 Cb 0.00 -1.13 -0.01 0.00 0.00 0.00 0.00 33.22 32.09 1mx7 n MET 10 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1mx7 n LEU 11 N 2.37 0.42 -3.61 3.17 4.32 0.76 -4.79 117.00 119.64 1mx7 n LEU 11 Ca 0.05 0.02 -0.09 0.00 -0.02 0.00 0.00 56.01 55.98 1mx7 n LEU 11 Cb 0.50 -0.06 -0.02 0.00 -1.62 0.00 0.00 43.42 42.22 1mx7 n LEU 11 CO 0.53 0.09 0.50 -0.55 -1.22 0.00 0.00 177.39 176.74 1mx7 s SER 12 N -5.08 -0.40 0.09 -1.43 0.15 -1.08 -4.98 113.70 100.98 1mx7 s SER 12 Ca -0.03 -0.24 0.06 0.00 0.70 0.00 0.00 55.95 56.44 1mx7 s SER 12 Cb 0.01 0.60 -0.03 0.00 -1.71 0.00 0.00 66.02 64.89 1mx7 s SER 12 CO 0.03 -1.04 -0.15 0.54 1.20 0.00 0.00 173.24 173.82 1mx7 s ASN 13 N -2.79 1.93 -0.16 5.45 2.20 -1.26 -0.91 114.94 119.40 1mx7 s ASN 13 Ca 0.06 -0.69 -0.13 0.00 -0.94 0.00 0.00 52.86 51.16 1mx7 s ASN 13 Cb -0.03 -0.07 0.04 0.00 -2.00 0.00 0.00 41.25 39.20 1mx7 s ASN 13 CO -0.04 -0.07 0.41 -0.70 -2.94 0.00 0.00 177.10 173.76 1mx7 s GLU 14 N -2.04 0.46 -1.73 3.55 2.56 -0.66 -4.90 118.70 115.93 1mx7 s GLU 14 Ca 0.03 0.63 0.00 0.00 0.00 0.00 0.00 54.97 55.62 1mx7 s GLU 14 Cb -0.09 0.17 0.00 0.00 2.00 0.00 0.00 34.13 36.22 1mx7 s GLU 14 CO 0.03 -0.08 0.00 0.09 -0.56 0.00 0.00 175.26 174.74 1mx7 n ASN 15 N 3.20 -4.30 0.28 -1.70 3.02 -1.26 -2.42 115.26 112.08 1mx7 n ASN 15 Ca -0.16 0.40 0.17 0.00 -0.03 0.00 0.00 54.58 54.97 1mx7 n ASN 15 Cb 0.57 -3.90 0.73 0.00 -0.61 0.00 0.00 39.78 36.57 1mx7 n ASN 15 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1mx7 h PHE 16 N 0.00 0.00 0.17 3.10 -0.00 -1.90 -2.51 116.94 115.79 1mx7 h PHE 16 Ca -0.33 0.00 -0.31 0.00 -0.00 0.00 0.00 57.97 57.33 1mx7 h PHE 16 Cb 1.06 0.00 0.03 0.00 -0.00 0.00 0.00 35.95 37.05 1mx7 h PHE 16 CO 0.46 0.02 -1.32 0.93 -0.00 0.00 0.00 178.31 178.40 1mx7 h GLU 17 N 0.00 0.60 0.00 6.09 5.08 -1.94 -3.01 114.58 121.39 1mx7 h GLU 17 Ca -0.00 -0.87 -0.01 0.00 -1.00 0.00 0.00 59.36 57.48 1mx7 h GLU 17 Cb 0.47 0.30 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1mx7 h GLU 17 CO 0.00 1.40 -0.07 1.05 -1.00 0.00 0.00 179.01 180.40 1mx7 h GLU 18 N 0.22 0.00 -0.08 2.33 4.11 -1.96 -2.80 114.58 116.40 1mx7 h GLU 18 Ca -0.21 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.05 1mx7 h GLU 18 Cb 2.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.24 1mx7 h GLU 18 CO 0.25 0.07 -0.68 -0.92 0.07 0.00 0.00 179.01 177.80 1mx7 h TYR 19 N 0.00 0.46 0.00 2.06 3.20 -1.45 -2.69 116.97 118.55 1mx7 h TYR 19 Ca -0.00 -0.19 -0.07 0.00 3.14 0.00 0.00 58.73 61.61 1mx7 h TYR 19 Cb 0.83 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 1mx7 h TYR 19 CO 0.00 0.92 -0.31 -0.07 -1.64 0.00 0.00 178.16 177.06 1mx7 h LEU 20 N 0.24 0.00 -1.04 2.82 3.38 -1.36 -3.07 115.31 116.29 1mx7 h LEU 20 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1mx7 h LEU 20 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1mx7 h LEU 20 CO 0.11 0.31 -0.46 -0.09 0.09 0.00 0.00 178.44 178.40 1mx7 h ARG 21 N 0.00 0.04 -0.46 1.13 2.43 -1.28 -2.79 114.38 113.45 1mx7 h ARG 21 Ca -0.00 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.03 1mx7 h ARG 21 Cb 1.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1mx7 h ARG 21 CO 0.04 0.49 -0.20 0.00 -1.51 0.00 0.00 179.97 178.79 1mx7 h ALA 22 N 1.50 0.78 0.00 2.80 0.00 -1.38 -2.89 119.26 120.08 1mx7 h ALA 22 Ca -0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 1mx7 h ALA 22 Cb 0.83 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1mx7 h ALA 22 CO 0.06 0.66 -0.65 -0.07 0.00 0.00 0.00 179.25 179.25 1mx7 h LEU 23 N 0.80 0.00 -1.58 0.00 3.38 -1.59 -3.48 115.31 112.84 1mx7 h LEU 23 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1mx7 h LEU 23 Cb 0.75 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.52 1mx7 h LEU 23 CO 0.06 0.65 -0.05 -0.67 0.09 0.00 0.00 178.44 178.51 1mx7 n ASP 24 N -3.50 -2.13 -2.11 -0.43 -0.08 -1.06 -5.09 116.55 102.14 1mx7 n ASP 24 Ca -0.00 -0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 1mx7 n ASP 24 Cb 0.71 -0.84 0.00 0.00 2.34 0.00 0.00 41.12 43.32 1mx7 n ASP 24 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1mx7 n VAL 25 N -1.82 0.00 -2.65 5.18 0.24 -1.21 -5.08 118.33 112.99 1mx7 n VAL 25 Ca -0.01 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.08 1mx7 n VAL 25 Cb 0.51 -1.72 0.04 0.00 -1.47 0.00 0.00 33.84 31.20 1mx7 n VAL 25 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1mx7 s ASN 26 N -1.00 5.19 0.13 -1.34 -0.87 -1.26 -5.00 114.94 110.80 1mx7 s ASN 26 Ca 0.00 -0.07 -0.04 0.00 -1.57 0.00 0.00 52.86 51.18 1mx7 s ASN 26 Cb 0.00 -0.77 -0.08 0.00 -0.02 0.00 0.00 41.25 40.38 1mx7 s ASN 26 CO 0.00 -1.21 1.31 -0.37 -2.57 0.00 0.00 177.10 174.27 1mx7 h VAL 27 N 0.03 1.41 -0.18 1.60 -1.51 -1.99 -2.70 116.25 112.91 1mx7 h VAL 27 Ca -0.41 -2.46 -0.12 0.00 -1.23 0.00 0.00 66.70 62.48 1mx7 h VAL 27 Cb 1.29 2.42 -0.01 0.00 -2.13 0.00 0.00 31.29 32.86 1mx7 h VAL 27 CO 0.51 0.73 -0.39 0.00 -1.23 0.00 0.00 177.57 177.19 1mx7 h ALA 28 N 0.77 0.99 0.06 5.19 0.00 -2.00 -2.98 119.26 121.27 1mx7 h ALA 28 Ca -0.07 -0.42 -0.26 0.00 0.00 0.00 0.00 54.91 54.16 1mx7 h ALA 28 Cb 1.57 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 19.28 1mx7 h ALA 28 CO 0.16 0.61 -1.06 1.25 0.00 0.00 0.00 179.25 180.22 1mx7 h LEU 29 N 0.34 0.83 -1.95 0.00 7.12 -1.97 -3.09 115.31 116.59 1mx7 h LEU 29 Ca 0.03 -0.79 -0.01 0.00 0.13 0.00 0.00 57.88 57.24 1mx7 h LEU 29 Cb 0.84 -0.26 -0.00 0.00 -0.53 0.00 0.00 40.66 40.71 1mx7 h LEU 29 CO 0.07 1.52 -0.06 -0.09 -0.13 0.00 0.00 178.44 179.75 1mx7 h ARG 30 N 0.24 0.00 0.09 1.25 2.43 -1.46 -1.01 114.38 115.91 1mx7 h ARG 30 Ca -0.15 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.77 1mx7 h ARG 30 Cb 1.73 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 31.31 1mx7 h ARG 30 CO 0.21 0.06 -1.04 0.87 -1.51 0.00 0.00 179.97 178.56 1mx7 h LYS 31 N 0.00 0.55 -0.82 0.20 1.57 -1.60 -2.47 116.57 114.00 1mx7 h LYS 31 Ca -0.00 -0.71 -0.03 0.00 -1.87 0.00 0.00 60.65 58.04 1mx7 h LYS 31 Cb 0.12 0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 1mx7 h LYS 31 CO 0.01 1.30 0.40 0.82 -0.57 0.00 0.00 179.45 181.42 1mx7 h ILE 32 N 0.13 1.25 -0.02 1.86 1.08 -1.31 -3.14 117.51 117.36 1mx7 h ILE 32 Ca -0.15 -0.69 -0.04 0.00 -0.39 0.00 0.00 64.86 63.58 1mx7 h ILE 32 Cb 1.74 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.69 1mx7 h ILE 32 CO 0.20 0.30 -0.14 0.00 -0.69 0.00 0.00 178.15 177.82 1mx7 h ALA 33 N 1.21 0.05 -2.11 1.87 0.00 -1.28 -3.43 119.26 115.58 1mx7 h ALA 33 Ca 0.28 -0.39 -0.42 0.00 0.00 0.00 0.00 54.91 54.38 1mx7 h ALA 33 Cb 0.10 -0.00 0.19 0.00 0.00 0.00 0.00 17.79 18.08 1mx7 h ALA 33 CO -0.04 -0.01 0.10 0.54 0.00 0.00 0.00 179.25 179.84 1mx7 s ASN 34 N -6.12 1.01 0.00 0.00 2.20 -0.93 -3.85 114.94 107.26 1mx7 s ASN 34 Ca -0.16 0.87 0.00 0.00 -0.94 0.00 0.00 52.86 52.63 1mx7 s ASN 34 Cb 0.01 -1.29 0.00 0.00 -2.00 0.00 0.00 41.25 37.97 1mx7 s ASN 34 CO 0.72 -4.09 0.00 -0.11 -2.94 0.00 0.00 177.10 170.68 1mx7 n LEU 35 N -4.77 0.00 -4.85 3.54 0.00 -1.26 -4.86 117.00 104.79 1mx7 n LEU 35 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 56.01 55.79 1mx7 n LEU 35 Cb 0.59 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.96 1mx7 n LEU 35 CO 0.49 0.00 0.52 -0.76 0.00 0.00 0.00 177.39 177.64 1mx7 s LEU 36 N 0.00 3.90 -0.38 -1.96 1.43 -1.25 -5.07 118.68 115.35 1mx7 s LEU 36 Ca 0.00 1.37 0.02 0.00 -1.03 0.00 0.00 54.13 54.49 1mx7 s LEU 36 Cb 0.00 -4.22 0.11 0.00 0.03 0.00 0.00 46.19 42.11 1mx7 s LEU 36 CO 0.00 -0.36 0.14 -0.54 0.23 0.00 0.00 176.35 175.82 1mx7 s LYS 37 N -3.46 1.30 0.05 1.70 1.02 -1.26 -5.09 119.74 114.00 1mx7 s LYS 37 Ca 0.56 -1.79 -0.01 0.00 0.02 0.00 0.00 55.97 54.74 1mx7 s LYS 37 Cb -0.10 -2.69 0.01 0.00 -0.52 0.00 0.00 37.83 34.54 1mx7 s LYS 37 CO 0.23 -1.03 0.03 -2.30 -0.92 0.00 0.00 175.35 171.37 1mx7 n PRO 38 N 4.09 -1.73 -4.18 -1.68 -0.02 -1.26 -4.97 135.00 125.24 1mx7 n PRO 38 Ca 0.03 -0.06 -0.13 0.00 -2.02 0.00 0.00 63.50 61.33 1mx7 n PRO 38 Cb 0.39 -0.06 -0.09 0.00 -0.02 0.00 0.00 33.50 33.71 1mx7 n PRO 38 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1mx7 s ASP 39 N -1.88 0.32 -0.37 2.55 1.47 -1.26 -4.37 116.67 113.12 1mx7 s ASP 39 Ca 0.02 -1.37 0.03 0.00 1.18 0.00 0.00 52.55 52.42 1mx7 s ASP 39 Cb -0.00 0.44 0.16 0.00 -0.34 0.00 0.00 42.92 43.17 1mx7 s ASP 39 CO 0.02 -0.92 0.40 -0.75 0.68 0.00 0.00 175.17 174.59 1mx7 s LYS 40 N -4.02 0.64 0.13 2.11 2.47 -1.26 -4.29 119.74 115.52 1mx7 s LYS 40 Ca 0.37 -0.76 -0.17 0.00 -1.56 0.00 0.00 55.97 53.84 1mx7 s LYS 40 Cb 0.05 -0.64 -0.07 0.00 -1.46 0.00 0.00 37.83 35.71 1mx7 s LYS 40 CO 0.14 -1.19 0.59 -2.00 0.16 0.00 0.00 175.35 173.05 1mx7 s GLU 41 N 1.53 4.13 0.09 4.03 -6.30 -0.77 -4.36 118.70 117.04 1mx7 s GLU 41 Ca 0.16 0.67 0.07 0.00 -2.50 0.00 0.00 54.97 53.37 1mx7 s GLU 41 Cb -0.14 -3.06 -0.03 0.00 0.00 0.00 0.00 34.13 30.90 1mx7 s GLU 41 CO -0.05 0.53 -0.18 0.42 0.02 0.00 0.00 175.26 176.00 1mx7 s ILE 42 N -1.32 1.47 -0.20 -3.70 -1.09 -1.26 -1.93 121.20 113.17 1mx7 s ILE 42 Ca 0.35 -1.45 -0.13 0.00 -2.23 0.00 0.00 60.65 57.20 1mx7 s ILE 42 Cb -0.17 -1.36 0.06 0.00 -1.58 0.00 0.00 42.46 39.40 1mx7 s ILE 42 CO 0.20 -0.12 0.49 -0.69 -1.23 0.00 0.00 174.94 173.58 1mx7 s VAL 43 N -1.20 -0.01 -0.04 2.92 1.01 -1.04 -3.59 120.40 118.45 1mx7 s VAL 43 Ca 0.03 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1mx7 s VAL 43 Cb -0.10 -0.71 0.03 0.00 0.00 0.00 0.00 36.38 35.60 1mx7 s VAL 43 CO 0.03 0.02 0.09 -1.10 0.00 0.00 0.00 175.10 174.14 1mx7 s GLN 44 N 1.17 0.02 0.00 2.72 -0.21 -1.26 -1.93 119.66 120.17 1mx7 s GLN 44 Ca -0.07 0.28 0.26 0.00 0.02 0.00 0.00 55.36 55.84 1mx7 s GLN 44 Cb -0.06 -0.22 0.64 0.00 1.00 0.00 0.00 33.01 34.37 1mx7 s GLN 44 CO -0.11 -0.17 1.50 -3.47 -2.12 0.00 0.00 175.29 170.92 1mx7 n ASP 45 N 4.20 0.51 0.00 5.90 2.03 -1.14 -5.00 116.55 123.05 1mx7 n ASP 45 Ca -0.27 -0.26 0.00 0.00 0.52 0.00 0.00 54.79 54.78 1mx7 n ASP 45 Cb 0.51 0.15 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 1mx7 n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mx7 n GLY 46 N 1.47 0.34 0.10 0.27 0.00 -1.26 -4.85 105.19 101.26 1mx7 n GLY 46 Ca 0.07 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.04 1mx7 n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mx7 n ASP 47 N 0.00 0.82 -4.62 1.61 5.68 -1.26 -4.74 116.55 114.04 1mx7 n ASP 47 Ca 0.00 0.34 -0.42 0.00 -0.50 0.00 0.00 54.79 54.21 1mx7 n ASP 47 Cb 0.00 0.33 -0.04 0.00 -1.14 0.00 0.00 41.12 40.26 1mx7 n ASP 47 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1mx7 s HIS 48 N -3.09 3.19 0.02 2.11 2.46 -1.26 -2.94 115.29 115.77 1mx7 s HIS 48 Ca -0.02 0.86 -0.01 0.00 0.47 0.00 0.00 55.06 56.36 1mx7 s HIS 48 Cb 0.09 -3.32 -0.04 0.00 -0.13 0.00 0.00 32.58 29.18 1mx7 s HIS 48 CO 0.81 -0.62 0.15 1.41 -2.47 0.00 0.00 174.74 174.02 1mx7 s MET 49 N 3.09 3.27 -0.11 2.88 1.75 0.20 -2.90 119.30 127.49 1mx7 s MET 49 Ca 0.35 -0.43 -0.03 0.00 -1.25 0.00 0.00 55.69 54.33 1mx7 s MET 49 Cb -0.14 -2.98 0.04 0.00 2.84 0.00 0.00 34.83 34.60 1mx7 s MET 49 CO 0.13 0.64 0.05 0.42 -0.65 0.00 0.00 175.02 175.61 1mx7 s ILE 50 N -1.33 0.14 -0.19 10.11 1.01 -0.82 -1.06 121.20 129.07 1mx7 s ILE 50 Ca 0.28 0.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.87 1mx7 s ILE 50 Cb -0.12 -0.53 -0.03 0.00 0.01 0.00 0.00 42.46 41.78 1mx7 s ILE 50 CO 0.20 0.01 0.03 -0.63 0.00 0.00 0.00 174.94 174.54 1mx7 s ILE 51 N 2.05 4.41 -0.05 2.92 1.09 -1.23 -2.48 121.20 127.90 1mx7 s ILE 51 Ca 0.03 -0.16 0.05 0.00 -1.10 0.00 0.00 60.65 59.46 1mx7 s ILE 51 Cb -0.14 -2.99 -0.02 0.00 -1.06 0.00 0.00 42.46 38.25 1mx7 s ILE 51 CO -0.06 0.44 -0.18 -0.13 -0.10 0.00 0.00 174.94 174.91 1mx7 s ARG 52 N 0.66 2.49 -0.04 2.79 0.52 -0.81 -2.63 118.95 121.93 1mx7 s ARG 52 Ca 0.02 -0.78 0.03 0.00 -0.52 0.00 0.00 55.73 54.47 1mx7 s ARG 52 Cb -0.14 -2.29 0.01 0.00 0.52 0.00 0.00 34.95 33.05 1mx7 s ARG 52 CO 0.02 0.54 -0.10 0.99 0.02 0.00 0.00 175.30 176.77 1mx7 s THR 53 N -0.53 0.89 -0.53 0.02 2.01 -1.23 -1.85 115.64 114.41 1mx7 s THR 53 Ca 0.07 -0.40 0.07 0.00 0.31 0.00 0.00 61.69 61.75 1mx7 s THR 53 Cb -0.11 -0.80 0.31 0.00 0.01 0.00 0.00 72.50 71.91 1mx7 s THR 53 CO 0.01 0.28 0.80 0.18 -0.69 0.00 0.00 174.62 175.20 1mx7 n LEU 54 N 3.43 3.04 -4.86 4.42 4.32 -1.25 -4.13 117.00 121.96 1mx7 n LEU 54 Ca -0.20 -5.37 -0.31 0.00 -0.02 0.00 0.00 56.01 50.11 1mx7 n LEU 54 Cb 0.53 -0.18 -0.04 0.00 -1.62 0.00 0.00 43.42 42.11 1mx7 n LEU 54 CO 0.25 2.23 0.49 -0.44 -1.22 0.00 0.00 177.39 178.70 1mx7 s SER 55 N -2.73 6.64 0.46 -1.43 0.01 -1.26 -4.76 113.70 110.63 1mx7 s SER 55 Ca 0.43 1.29 0.17 0.00 1.31 0.00 0.00 55.95 59.15 1mx7 s SER 55 Cb 0.25 -2.38 1.10 0.00 0.21 0.00 0.00 66.02 65.19 1mx7 s SER 55 CO -0.09 -0.38 2.02 0.71 0.41 0.00 0.00 173.24 175.91 1mx7 h THR 56 N 1.36 1.03 -3.35 1.44 1.35 -1.98 -3.37 112.91 109.39 1mx7 h THR 56 Ca -0.47 -0.57 -0.66 0.00 -0.55 0.00 0.00 66.41 64.16 1mx7 h THR 56 Cb 1.18 1.32 -0.27 0.00 -1.73 0.00 0.00 68.15 68.65 1mx7 h THR 56 CO 0.64 0.16 -0.73 0.12 -0.25 0.00 0.00 175.52 175.45 1mx7 s PHE 57 N -4.60 2.92 -0.20 4.73 2.19 -1.26 -4.86 117.98 116.91 1mx7 s PHE 57 Ca -0.04 -0.81 -0.01 0.00 0.33 0.00 0.00 56.93 56.40 1mx7 s PHE 57 Cb 0.15 -2.01 0.01 0.00 -1.31 0.00 0.00 43.02 39.86 1mx7 s PHE 57 CO 0.68 -0.41 0.03 0.54 1.83 0.00 0.00 175.22 177.89 1mx7 n ARG 58 N 4.31 -2.66 0.11 10.12 1.74 -1.26 -4.92 116.66 124.10 1mx7 n ARG 58 Ca -0.18 2.26 -0.13 0.00 -0.77 0.00 0.00 57.85 59.03 1mx7 n ARG 58 Cb 0.51 -3.94 -0.06 0.00 -1.02 0.00 0.00 32.46 27.95 1mx7 n ARG 58 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1mx7 h ASN 59 N 3.44 -0.36 -3.40 0.55 4.21 -1.80 -3.39 115.58 114.85 1mx7 h ASN 59 Ca -0.07 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.48 1mx7 h ASN 59 Cb 0.42 0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 1mx7 h ASN 59 CO 0.06 -0.21 -0.13 0.00 -1.29 0.00 0.00 177.43 175.86 1mx7 n TYR 60 N -5.26 -0.67 -4.23 1.19 9.36 -1.26 -3.96 117.16 112.33 1mx7 n TYR 60 Ca -0.08 0.29 -0.35 0.00 3.32 0.00 0.00 57.90 61.08 1mx7 n TYR 60 Cb 0.18 -1.96 -0.10 0.00 -0.63 0.00 0.00 39.34 36.83 1mx7 n TYR 60 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1mx7 s ILE 61 N -0.80 4.48 0.31 2.97 1.09 -1.26 -3.58 121.20 124.41 1mx7 s ILE 61 Ca 0.02 -0.16 0.06 0.00 -1.10 0.00 0.00 60.65 59.47 1mx7 s ILE 61 Cb -0.01 -2.94 -0.06 0.00 -1.06 0.00 0.00 42.46 38.39 1mx7 s ILE 61 CO 0.14 0.55 -0.02 -0.04 -0.10 0.00 0.00 174.94 175.46 1mx7 s MET 62 N -0.35 1.62 -0.37 2.79 -1.94 -1.08 -5.06 119.30 114.92 1mx7 s MET 62 Ca 0.08 -1.85 0.03 0.00 -1.71 0.00 0.00 55.69 52.23 1mx7 s MET 62 Cb -0.12 -1.14 0.15 0.00 2.01 0.00 0.00 34.83 35.73 1mx7 s MET 62 CO 0.02 -0.02 0.34 -0.51 -0.01 0.00 0.00 175.02 174.84 1mx7 s ASP 63 N -3.48 1.56 0.20 3.03 1.01 -1.26 -3.55 116.67 114.17 1mx7 s ASP 63 Ca 0.32 -1.79 0.04 0.00 0.71 0.00 0.00 52.55 51.82 1mx7 s ASP 63 Cb 0.06 0.32 -0.03 0.00 1.01 0.00 0.00 42.92 44.27 1mx7 s ASP 63 CO 0.13 -0.26 0.30 -0.36 0.21 0.00 0.00 175.17 175.20 1mx7 s PHE 64 N 1.27 3.43 -0.30 4.23 0.40 -0.22 -4.97 117.98 121.82 1mx7 s PHE 64 Ca 0.18 0.04 0.03 0.00 -0.60 0.00 0.00 56.93 56.58 1mx7 s PHE 64 Cb -0.17 -1.60 0.08 0.00 0.51 0.00 0.00 43.02 41.85 1mx7 s PHE 64 CO -0.02 0.48 -0.02 -0.65 0.70 0.00 0.00 175.22 175.71 1mx7 s GLN 65 N -3.59 1.80 -0.15 0.44 -0.21 -1.26 0.62 119.66 117.32 1mx7 s GLN 65 Ca 0.34 -1.63 -0.29 0.00 0.02 0.00 0.00 55.36 53.80 1mx7 s GLN 65 Cb -0.10 -3.05 -0.07 0.00 1.00 0.00 0.00 33.01 30.80 1mx7 s GLN 65 CO 0.28 -0.78 2.15 0.28 -2.12 0.00 0.00 175.29 175.10 1mx7 n VAL 66 N 4.34 0.46 0.00 1.09 0.31 -1.15 -2.25 118.33 121.14 1mx7 n VAL 66 Ca -0.04 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1mx7 n VAL 66 Cb 0.42 -2.45 0.00 0.00 -0.91 0.00 0.00 33.84 30.90 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 5.43 1.33 3.10 2.92 0.00 -0.30 -4.99 105.19 112.67 1mx7 n GLY 67 Ca 0.27 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.17 0.62 0.33 1.61 2.20 -0.95 -5.01 119.74 118.37 1mx7 s LYS 68 Ca 0.00 -1.14 -0.26 0.00 -0.36 0.00 0.00 55.97 54.20 1mx7 s LYS 68 Cb 0.00 0.22 -0.10 0.00 -1.51 0.00 0.00 37.83 36.44 1mx7 s LYS 68 CO 0.00 -0.13 0.97 -2.00 -0.36 0.00 0.00 175.35 173.83 1mx7 s GLU 69 N -3.75 4.53 -0.30 4.03 -6.30 -1.26 -3.62 118.70 112.03 1mx7 s GLU 69 Ca 0.05 1.39 -0.02 0.00 -2.50 0.00 0.00 54.97 53.90 1mx7 s GLU 69 Cb 0.06 -2.80 0.12 0.00 0.00 0.00 0.00 34.13 31.52 1mx7 s GLU 69 CO -0.10 0.22 0.23 0.12 0.02 0.00 0.00 175.26 175.75 1mx7 s PHE 70 N -1.58 -0.08 -0.53 5.30 5.36 0.23 -4.92 117.98 121.76 1mx7 s PHE 70 Ca 0.51 -0.58 -0.27 0.00 -0.96 0.00 0.00 56.93 55.62 1mx7 s PHE 70 Cb -0.20 -0.65 -0.02 0.00 -0.34 0.00 0.00 43.02 41.81 1mx7 s PHE 70 CO 0.26 -0.88 1.78 -2.00 -1.46 0.00 0.00 175.22 172.91 1mx7 s GLU 71 N 2.11 2.92 0.15 10.12 2.12 -1.26 -1.27 118.70 133.59 1mx7 s GLU 71 Ca 0.10 0.80 -0.01 0.00 0.36 0.00 0.00 54.97 56.22 1mx7 s GLU 71 Cb -0.15 -4.30 -0.05 0.00 0.26 0.00 0.00 34.13 29.89 1mx7 s GLU 71 CO -0.30 -2.38 1.34 0.93 -0.54 0.00 0.00 175.26 174.31 1mx7 h GLU 72 N 13.83 0.31 -6.60 4.30 5.08 -1.91 -3.49 114.58 126.10 1mx7 h GLU 72 Ca -0.28 -0.33 -0.43 0.00 -1.00 0.00 0.00 59.36 57.32 1mx7 h GLU 72 Cb 1.15 0.09 0.01 0.00 0.50 0.00 0.00 28.75 30.50 1mx7 h GLU 72 CO 1.16 1.03 -1.09 -0.40 -1.00 0.00 0.00 179.01 178.72 1mx7 n ASP 73 N -3.71 -5.25 -4.69 1.42 5.75 -1.25 -4.92 116.55 103.92 1mx7 n ASP 73 Ca -0.05 -0.63 -0.37 0.00 -0.01 0.00 0.00 54.79 53.73 1mx7 n ASP 73 Cb 0.82 -1.88 -0.08 0.00 -1.03 0.00 0.00 41.12 38.95 1mx7 n ASP 73 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1mx7 s LEU 74 N -4.02 4.18 -0.30 -2.12 1.43 -1.17 -4.94 118.68 111.74 1mx7 s LEU 74 Ca 0.14 0.47 0.10 0.00 -1.03 0.00 0.00 54.13 53.80 1mx7 s LEU 74 Cb -0.02 -2.42 0.46 0.00 0.03 0.00 0.00 46.19 44.24 1mx7 s LEU 74 CO 0.88 -0.01 1.16 0.35 0.23 0.00 0.00 176.35 178.97 1mx7 n THR 75 N 4.09 2.26 -3.80 5.49 -2.24 -1.26 -0.30 114.28 118.52 1mx7 n THR 75 Ca -0.10 -4.07 -0.09 0.00 -2.27 0.00 0.00 64.05 57.52 1mx7 n THR 75 Cb 0.51 -0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 68.00 1mx7 n THR 75 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1mx7 s GLY 76 N -3.61 0.04 0.00 3.38 0.00 -1.26 -4.78 107.32 101.08 1mx7 s GLY 76 Ca 0.46 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.81 1mx7 s GLY 76 CO -0.00 -0.33 0.00 1.39 0.00 0.00 0.00 173.10 174.15 1mx7 n ILE 77 N -0.35 0.00 -2.77 0.90 2.08 -1.26 -1.46 119.36 116.50 1mx7 n ILE 77 Ca -0.08 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.22 1mx7 n ILE 77 Cb 0.62 0.00 0.05 0.00 -0.75 0.00 0.00 39.64 39.56 1mx7 n ILE 77 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1mx7 n ASP 78 N 1.22 1.65 -0.09 4.38 5.68 -1.26 -4.91 116.55 123.23 1mx7 n ASP 78 Ca 0.00 -2.10 0.00 0.00 -0.50 0.00 0.00 54.79 52.19 1mx7 n ASP 78 Cb 0.00 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 39.52 1mx7 n ASP 78 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1mx7 n ASP 79 N -0.50 0.00 -3.66 -1.12 8.00 -0.54 -4.95 116.55 113.78 1mx7 n ASP 79 Ca 0.08 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.33 1mx7 n ASP 79 Cb 0.84 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.77 1mx7 n ASP 79 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1mx7 s ARG 80 N 0.00 0.21 -0.20 -1.24 6.06 0.59 -4.90 118.95 119.48 1mx7 s ARG 80 Ca 0.00 -0.06 -0.29 0.00 -2.50 0.00 0.00 55.73 52.88 1mx7 s ARG 80 Cb 0.00 -1.59 0.00 0.00 0.06 0.00 0.00 34.95 33.42 1mx7 s ARG 80 CO 0.00 -0.57 1.02 -1.59 -2.50 0.00 0.00 175.30 171.66 1mx7 s LYS 81 N 2.07 4.30 0.33 5.12 -2.85 -1.25 -3.04 119.74 124.42 1mx7 s LYS 81 Ca 0.02 1.35 -0.06 0.00 -1.00 0.00 0.00 55.97 56.28 1mx7 s LYS 81 Cb -0.15 -3.61 0.03 0.00 -2.06 0.00 0.00 37.83 32.03 1mx7 s LYS 81 CO -0.07 -0.54 0.54 0.00 0.10 0.00 0.00 175.35 175.38 1mx7 s MET 83 N -2.46 1.31 -0.09 0.00 0.23 -1.26 -3.26 119.30 113.78 1mx7 s MET 83 Ca 0.21 -0.35 -0.01 0.00 -1.03 0.00 0.00 55.69 54.51 1mx7 s MET 83 Cb -0.02 -1.16 0.03 0.00 -1.53 0.00 0.00 34.83 32.15 1mx7 s MET 83 CO 0.15 0.07 -0.04 0.99 -2.03 0.00 0.00 175.02 174.17 1mx7 s THR 84 N 0.44 0.69 -0.24 3.16 2.01 -0.39 -3.08 115.64 118.23 1mx7 s THR 84 Ca -0.09 -0.09 -0.05 0.00 0.31 0.00 0.00 61.69 61.78 1mx7 s THR 84 Cb -0.12 -0.77 -0.01 0.00 0.01 0.00 0.00 72.50 71.60 1mx7 s THR 84 CO 0.02 0.31 0.01 -0.89 -0.69 0.00 0.00 174.62 173.37 1mx7 s THR 85 N 1.77 3.67 -0.25 -0.82 2.01 -1.25 0.74 115.64 121.50 1mx7 s THR 85 Ca 0.04 -0.50 -0.08 0.00 0.31 0.00 0.00 61.69 61.46 1mx7 s THR 85 Cb -0.13 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 1mx7 s THR 85 CO -0.06 0.32 0.10 -0.69 -0.69 0.00 0.00 174.62 173.59 1mx7 s VAL 86 N 1.50 4.55 0.00 3.82 1.01 -1.24 -3.76 120.40 126.29 1mx7 s VAL 86 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1mx7 s VAL 86 Cb -0.15 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1mx7 s VAL 86 CO -0.01 0.32 0.00 -0.24 0.00 0.00 0.00 175.10 175.18 1mx7 n SER 87 N 4.91 1.17 -3.68 3.32 2.88 -1.07 -1.15 113.62 120.01 1mx7 n SER 87 Ca -0.16 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.27 1mx7 n SER 87 Cb 0.52 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.86 1mx7 n SER 87 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1mx7 s TRP 88 N 0.40 -0.52 0.05 0.66 1.48 -1.26 -3.62 118.94 116.12 1mx7 s TRP 88 Ca 0.00 1.11 -0.12 0.00 -1.06 0.00 0.00 56.10 56.03 1mx7 s TRP 88 Cb 0.00 0.11 -0.33 0.00 -1.16 0.00 0.00 33.47 32.08 1mx7 s TRP 88 CO 0.00 -0.36 1.05 0.22 -4.06 0.00 0.00 176.95 173.80 1mx7 h ASP 89 N 7.86 0.72 0.00 -2.66 1.82 -1.92 -3.49 116.42 118.74 1mx7 h ASP 89 Ca -0.23 -0.77 0.00 0.00 -0.39 0.00 0.00 57.03 55.64 1mx7 h ASP 89 Cb 1.13 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.91 1mx7 h ASP 89 CO 0.20 1.60 0.00 0.61 -1.61 0.00 0.00 179.24 180.04 1mx7 n GLY 90 N 1.66 3.95 2.46 -0.78 0.00 -1.26 -4.92 105.19 106.30 1mx7 n GLY 90 Ca -0.14 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 -5.04 -3.64 1.61 9.92 -1.26 -4.90 116.55 113.24 1mx7 n ASP 91 Ca 0.00 0.45 -0.15 0.00 -0.53 0.00 0.00 54.79 54.57 1mx7 n ASP 91 Cb 0.00 -4.48 -0.08 0.00 -0.64 0.00 0.00 41.12 35.93 1mx7 n ASP 91 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1mx7 s LYS 92 N -3.68 0.78 -0.82 -1.24 2.20 -1.26 -3.71 119.74 112.02 1mx7 s LYS 92 Ca 0.00 0.59 -0.02 0.00 -0.36 0.00 0.00 55.97 56.18 1mx7 s LYS 92 Cb 0.00 0.37 0.20 0.00 -1.51 0.00 0.00 37.83 36.90 1mx7 s LYS 92 CO 0.00 -0.15 0.68 -1.17 -0.36 0.00 0.00 175.35 174.35 1mx7 s LEU 93 N -0.22 5.45 0.22 5.43 2.96 0.52 -3.38 118.68 129.65 1mx7 s LEU 93 Ca -0.04 -3.51 -0.18 0.00 -0.22 0.00 0.00 54.13 50.18 1mx7 s LEU 93 Cb -0.03 -1.88 -0.08 0.00 0.50 0.00 0.00 46.19 44.69 1mx7 s LEU 93 CO 0.03 -0.23 0.68 -1.10 -1.32 0.00 0.00 176.35 174.42 1mx7 s GLN 94 N -1.03 4.16 -0.04 1.98 -0.21 -1.24 -3.38 119.66 119.90 1mx7 s GLN 94 Ca 0.25 0.75 -0.05 0.00 0.02 0.00 0.00 55.36 56.33 1mx7 s GLN 94 Cb -0.10 -2.84 0.01 0.00 1.00 0.00 0.00 33.01 31.08 1mx7 s GLN 94 CO -0.10 0.38 0.14 0.00 -2.12 0.00 0.00 175.29 173.59 1mx7 s VAL 96 N -0.18 1.83 -0.33 0.00 1.01 -1.25 -2.42 120.40 119.07 1mx7 s VAL 96 Ca -0.03 -1.15 0.02 0.00 0.00 0.00 0.00 61.98 60.82 1mx7 s VAL 96 Cb -0.02 -1.56 0.10 0.00 0.00 0.00 0.00 36.38 34.90 1mx7 s VAL 96 CO 0.00 0.37 0.07 -1.10 0.00 0.00 0.00 175.10 174.45 1mx7 s GLN 97 N -0.92 1.15 -0.17 2.72 -0.21 -0.91 -3.96 119.66 117.35 1mx7 s GLN 97 Ca 0.09 -1.53 -0.29 0.00 0.02 0.00 0.00 55.36 53.65 1mx7 s GLN 97 Cb -0.09 -2.68 -0.05 0.00 1.00 0.00 0.00 33.01 31.19 1mx7 s GLN 97 CO 0.01 -0.96 1.96 0.15 -2.12 0.00 0.00 175.29 174.33 1mx7 s LYS 98 N 1.21 3.54 0.00 2.91 -0.14 -1.18 -4.75 119.74 121.33 1mx7 s LYS 98 Ca 0.10 2.00 0.00 0.00 -1.36 0.00 0.00 55.97 56.71 1mx7 s LYS 98 Cb -0.18 -4.22 0.00 0.00 -1.68 0.00 0.00 37.83 31.75 1mx7 s LYS 98 CO -0.15 -1.62 0.00 0.41 -0.76 0.00 0.00 175.35 173.23 1mx7 n GLY 99 N 5.18 3.02 0.00 -3.33 0.00 -1.26 -4.00 105.19 104.79 1mx7 n GLY 99 Ca 0.24 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 4.10 -4.15 1.61 4.07 -1.26 -5.10 120.64 119.91 1mx7 n GLU 100 Ca 0.00 -0.03 -0.24 0.00 -0.06 0.00 0.00 57.16 56.83 1mx7 n GLU 100 Cb 0.00 -0.38 -0.05 0.00 -0.06 0.00 0.00 31.44 30.95 1mx7 n GLU 100 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1mx7 s LYS 101 N -0.60 2.76 0.07 5.31 -0.14 -1.26 -5.06 119.74 120.82 1mx7 s LYS 101 Ca 0.00 -1.08 -0.24 0.00 -1.36 0.00 0.00 55.97 53.29 1mx7 s LYS 101 Cb 0.00 -2.49 -0.10 0.00 -1.68 0.00 0.00 37.83 33.55 1mx7 s LYS 101 CO 0.00 0.42 1.39 0.93 -0.76 0.00 0.00 175.35 177.33 1mx7 h GLU 102 N 1.90 -0.53 0.00 1.68 4.39 -1.97 -3.39 114.58 116.67 1mx7 h GLU 102 Ca -0.47 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.26 1mx7 h GLU 102 Cb 1.23 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1mx7 h GLU 102 CO 0.61 -0.35 0.00 0.41 -1.16 0.00 0.00 179.01 178.52 1mx7 n GLY 103 N -1.35 1.37 3.26 -3.84 0.00 -1.26 -4.96 105.19 98.42 1mx7 n GLY 103 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.36 -1.92 0.00 1.61 5.12 -0.83 -4.79 116.66 115.48 1mx7 n ARG 104 Ca 0.00 1.60 0.00 0.00 -1.93 0.00 0.00 57.85 57.52 1mx7 n ARG 104 Cb 0.00 -2.99 0.00 0.00 -1.16 0.00 0.00 32.46 28.31 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 0.03 -0.30 3.28 -0.13 0.00 -0.95 -2.13 105.19 104.99 1mx7 n GLY 105 Ca -0.02 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 44.80 1mx7 n GLY 105 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1mx7 s TRP 106 N -2.00 1.99 -0.04 1.61 0.52 -1.02 -2.14 118.94 117.87 1mx7 s TRP 106 Ca 0.00 -0.39 0.02 0.00 0.02 0.00 0.00 56.10 55.76 1mx7 s TRP 106 Cb 0.00 -1.19 0.01 0.00 -1.15 0.00 0.00 33.47 31.14 1mx7 s TRP 106 CO 0.00 0.10 -0.10 0.99 0.02 0.00 0.00 176.95 177.96 1mx7 s THR 107 N -0.79 0.89 -0.15 2.01 2.01 -0.99 -2.11 115.64 116.51 1mx7 s THR 107 Ca 0.09 -0.39 -0.04 0.00 0.31 0.00 0.00 61.69 61.66 1mx7 s THR 107 Cb -0.09 -0.81 0.06 0.00 0.01 0.00 0.00 72.50 71.67 1mx7 s THR 107 CO 0.02 0.29 0.13 -1.58 -0.69 0.00 0.00 174.62 172.79 1mx7 s GLN 108 N 0.41 0.08 -0.29 4.92 2.00 -1.22 -0.79 119.66 124.78 1mx7 s GLN 108 Ca -0.07 0.16 0.01 0.00 -2.00 0.00 0.00 55.36 53.45 1mx7 s GLN 108 Cb -0.12 -1.25 0.08 0.00 0.80 0.00 0.00 33.01 32.52 1mx7 s GLN 108 CO 0.01 -0.57 0.03 1.67 -0.50 0.00 0.00 175.29 175.93 1mx7 s TRP 109 N 2.22 2.50 -0.31 1.67 -2.14 -1.20 -0.36 118.94 121.32 1mx7 s TRP 109 Ca 0.04 -2.06 -0.32 0.00 2.66 0.00 0.00 56.10 56.43 1mx7 s TRP 109 Cb -0.15 -1.97 -0.09 0.00 -3.10 0.00 0.00 33.47 28.17 1mx7 s TRP 109 CO -0.09 -0.85 2.23 -0.89 -2.66 0.00 0.00 176.95 174.69 1mx7 n ILE 110 N 4.63 0.24 -2.76 0.66 5.41 -1.24 -4.31 119.36 121.97 1mx7 n ILE 110 Ca -0.04 -0.38 -0.13 0.00 1.00 0.00 0.00 62.75 63.20 1mx7 n ILE 110 Cb 0.43 -2.09 0.06 0.00 -0.71 0.00 0.00 39.64 37.32 1mx7 n ILE 110 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1mx7 n GLU 111 N 8.50 0.48 -1.53 0.38 1.02 -0.77 -4.96 120.64 123.77 1mx7 n GLU 111 Ca 0.37 -1.81 -0.26 0.00 -0.02 0.00 0.00 57.16 55.44 1mx7 n GLU 111 Cb 0.34 -0.27 -0.11 0.00 -0.02 0.00 0.00 31.44 31.38 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 0.48 -0.19 3.11 0.62 0.00 -1.26 -2.51 105.19 105.43 1mx7 n GLY 112 Ca 0.10 0.47 -0.17 0.00 0.00 0.00 0.00 46.02 46.43 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 13.88 -2.46 -3.73 1.61 9.92 -1.26 -4.92 116.55 129.60 1mx7 n ASP 113 Ca 0.52 -0.12 -0.18 0.00 -0.53 0.00 0.00 54.79 54.47 1mx7 n ASP 113 Cb 0.34 -2.13 -0.17 0.00 -0.64 0.00 0.00 41.12 38.52 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 -5.70 0.03 -0.14 -1.24 2.02 -1.04 -3.33 118.70 109.30 1mx7 s GLU 114 Ca 0.27 0.27 -0.25 0.00 0.02 0.00 0.00 54.97 55.27 1mx7 s GLU 114 Cb -0.15 -0.46 -0.02 0.00 0.10 0.00 0.00 34.13 33.60 1mx7 s GLU 114 CO 0.33 -0.26 0.80 -0.51 0.02 0.00 0.00 175.26 175.64 1mx7 s LEU 115 N 1.69 4.22 -0.42 1.80 2.01 -1.08 -1.84 118.68 125.06 1mx7 s LEU 115 Ca -0.01 1.18 0.02 0.00 0.01 0.00 0.00 54.13 55.33 1mx7 s LEU 115 Cb -0.12 -3.20 0.13 0.00 0.01 0.00 0.00 46.19 43.01 1mx7 s LEU 115 CO -0.03 -0.31 0.21 -2.28 1.01 0.00 0.00 176.35 174.95 1mx7 s HIS 116 N 1.74 2.07 -0.25 0.29 2.46 -1.26 -0.86 115.29 119.49 1mx7 s HIS 116 Ca 0.38 -2.39 -0.15 0.00 0.47 0.00 0.00 55.06 53.37 1mx7 s HIS 116 Cb -0.17 -1.95 -0.04 0.00 -0.13 0.00 0.00 32.58 30.29 1mx7 s HIS 116 CO 0.15 -0.80 0.36 -1.17 -2.47 0.00 0.00 174.74 170.80 1mx7 s LEU 117 N 0.51 4.08 -0.27 8.88 2.96 -1.22 -3.24 118.68 130.40 1mx7 s LEU 117 Ca 0.16 0.34 0.02 0.00 -0.22 0.00 0.00 54.13 54.43 1mx7 s LEU 117 Cb -0.23 -2.42 0.07 0.00 0.50 0.00 0.00 46.19 44.11 1mx7 s LEU 117 CO -0.03 -0.12 -0.06 -1.61 -1.32 0.00 0.00 176.35 173.21 1mx7 s GLU 118 N 1.72 1.87 -0.12 1.98 2.02 0.03 -0.89 118.70 125.31 1mx7 s GLU 118 Ca 0.15 -1.31 -0.10 0.00 0.02 0.00 0.00 54.97 53.73 1mx7 s GLU 118 Cb -0.15 -2.81 -0.05 0.00 0.10 0.00 0.00 34.13 31.22 1mx7 s GLU 118 CO 0.09 -0.65 0.21 -1.64 0.02 0.00 0.00 175.26 173.28 1mx7 s MET 119 N 1.18 3.79 0.05 1.61 -1.94 0.33 -2.36 119.30 121.96 1mx7 s MET 119 Ca -0.04 -0.02 0.06 0.00 -1.71 0.00 0.00 55.69 53.98 1mx7 s MET 119 Cb -0.19 -3.28 -0.04 0.00 2.01 0.00 0.00 34.83 33.33 1mx7 s MET 119 CO -0.07 0.59 -0.12 0.50 -0.01 0.00 0.00 175.02 175.91 1mx7 s ARG 120 N -0.53 2.21 -0.30 2.03 3.52 -0.91 0.29 118.95 125.26 1mx7 s ARG 120 Ca 0.15 -0.93 -0.06 0.00 -0.13 0.00 0.00 55.73 54.76 1mx7 s ARG 120 Cb -0.13 -2.31 0.17 0.00 -1.56 0.00 0.00 34.95 31.12 1mx7 s ARG 120 CO 0.04 0.54 0.70 0.00 -0.81 0.00 0.00 175.30 175.78 1mx7 s ALA 121 N -1.05 -2.38 -1.40 6.12 0.00 -0.83 -1.96 121.76 120.26 1mx7 s ALA 121 Ca 0.18 1.95 -0.05 0.00 0.00 0.00 0.00 51.96 54.04 1mx7 s ALA 121 Cb -0.11 -2.09 0.03 0.00 0.00 0.00 0.00 23.12 20.95 1mx7 s ALA 121 CO 0.09 -1.21 0.75 -1.91 0.00 0.00 0.00 175.76 173.48 1mx7 n GLU 122 N 5.40 -4.82 -1.08 0.00 4.07 -1.26 -1.65 120.64 121.30 1mx7 n GLU 122 Ca -0.05 0.58 -0.03 0.00 -0.06 0.00 0.00 57.16 57.59 1mx7 n GLU 122 Cb 0.51 -5.18 -0.01 0.00 -0.06 0.00 0.00 31.44 26.70 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 -1.66 0.58 3.16 8.31 0.00 -1.26 -5.00 105.19 109.32 1mx7 n GLY 123 Ca -0.19 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.94 2.72 -0.98 1.61 1.01 -0.66 -5.06 120.40 117.10 1mx7 s VAL 124 Ca 0.00 -1.24 -0.17 0.00 0.00 0.00 0.00 61.98 60.57 1mx7 s VAL 124 Cb 0.00 -2.46 0.15 0.00 0.00 0.00 0.00 36.38 34.07 1mx7 s VAL 124 CO 0.00 0.09 1.15 -0.89 0.00 0.00 0.00 175.10 175.45 1mx7 s THR 125 N 1.26 4.93 0.18 3.92 2.01 -1.26 -1.97 115.64 124.71 1mx7 s THR 125 Ca -0.03 -1.95 -0.30 0.00 0.31 0.00 0.00 61.69 59.72 1mx7 s THR 125 Cb -0.18 -4.77 -0.08 0.00 0.01 0.00 0.00 72.50 67.49 1mx7 s THR 125 CO -0.04 -1.47 1.07 0.00 -0.69 0.00 0.00 174.62 173.49 1mx7 s LYS 127 N -0.46 1.21 -0.31 0.00 1.02 -1.02 0.12 119.74 120.30 1mx7 s LYS 127 Ca 0.48 -1.44 -0.03 0.00 0.02 0.00 0.00 55.97 55.00 1mx7 s LYS 127 Cb -0.29 -1.06 0.11 0.00 -0.52 0.00 0.00 37.83 36.08 1mx7 s LYS 127 CO 0.34 0.19 0.16 -0.65 -0.92 0.00 0.00 175.35 174.48 1mx7 s GLN 128 N -3.20 0.30 0.06 1.68 -1.52 -0.07 -1.66 119.66 115.25 1mx7 s GLN 128 Ca 0.17 -0.74 -0.31 0.00 -1.95 0.00 0.00 55.36 52.53 1mx7 s GLN 128 Cb -0.03 -1.17 -0.06 0.00 -0.22 0.00 0.00 33.01 31.53 1mx7 s GLN 128 CO 0.05 -1.08 1.26 0.08 -0.25 0.00 0.00 175.29 175.35 1mx7 s VAL 129 N 1.82 3.88 0.19 1.09 1.01 -0.09 -3.36 120.40 124.93 1mx7 s VAL 129 Ca 0.12 1.33 0.07 0.00 0.00 0.00 0.00 61.98 63.49 1mx7 s VAL 129 Cb -0.18 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 1mx7 s VAL 129 CO -0.26 0.08 -0.13 -0.36 0.00 0.00 0.00 175.10 174.44 1mx7 s PHE 130 N 1.30 1.57 -0.06 5.22 0.08 -0.04 -0.17 117.98 125.89 1mx7 s PHE 130 Ca 0.60 -0.64 0.01 0.00 0.12 0.00 0.00 56.93 57.02 1mx7 s PHE 130 Cb -0.31 -0.75 0.02 0.00 -0.57 0.00 0.00 43.02 41.41 1mx7 s PHE 130 CO 0.28 0.26 -0.06 0.15 -0.10 0.00 0.00 175.22 175.76 1mx7 s LYS 131 N -3.68 1.10 -0.58 0.44 -0.14 -1.16 -2.63 119.74 113.10 1mx7 s LYS 131 Ca 0.21 -0.18 -0.21 0.00 -1.36 0.00 0.00 55.97 54.43 1mx7 s LYS 131 Cb 0.00 -1.07 0.07 0.00 -1.68 0.00 0.00 37.83 35.15 1mx7 s LYS 131 CO 0.05 -0.09 0.81 0.21 -0.76 0.00 0.00 175.35 175.57 1mx7 s LYS 132 N 1.03 3.15 0.20 1.68 2.20 -1.21 -2.61 119.74 124.18 1mx7 s LYS 132 Ca -0.09 -0.82 -0.21 0.00 -0.36 0.00 0.00 55.97 54.50 1mx7 s LYS 132 Cb -0.14 -4.16 0.15 0.00 -1.51 0.00 0.00 37.83 32.17 1mx7 s LYS 132 CO -0.00 -1.52 1.56 0.28 -0.36 0.00 0.00 175.35 175.30 1mx7 h VAL 133 N 5.94 0.04 -0.02 4.02 2.07 -1.81 -3.47 116.25 123.03 1mx7 h VAL 133 Ca -0.28 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1mx7 h VAL 133 Cb 1.08 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1mx7 h VAL 133 CO 1.08 0.00 0.00 1.57 0.02 0.00 0.00 177.57 180.24