#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 1.44 -0.69 -1.45 3.14 -1.26 -5.11 118.33 114.40 1mx7 n VAL 2 Ca 0.00 -0.84 0.00 0.00 -2.96 0.00 0.00 64.34 60.54 1mx7 n VAL 2 Cb 0.00 -0.60 0.00 0.00 -1.06 0.00 0.00 33.84 32.18 1mx7 n VAL 2 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1mx7 n ASP 3 N -2.82 -3.82 0.00 6.55 2.03 -1.26 -5.04 116.55 112.19 1mx7 n ASP 3 Ca -0.30 0.76 0.00 0.00 0.52 0.00 0.00 54.79 55.76 1mx7 n ASP 3 Cb 1.13 -1.62 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 1mx7 n ASP 3 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1mx7 n PHE 4 N -1.76 -0.53 -1.10 -0.67 3.72 -1.26 -5.12 117.46 110.74 1mx7 n PHE 4 Ca 0.00 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.01 1mx7 n PHE 4 Cb 0.16 0.11 -0.11 0.00 -0.94 0.00 0.00 39.48 38.70 1mx7 n PHE 4 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1mx7 n ASN 5 N -2.03 0.40 0.00 4.37 5.15 -1.26 -4.82 115.26 117.07 1mx7 n ASN 5 Ca 0.00 0.32 0.00 0.00 -0.60 0.00 0.00 54.58 54.30 1mx7 n ASN 5 Cb 0.00 -0.72 0.00 0.00 -0.53 0.00 0.00 39.78 38.53 1mx7 n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1mx7 n GLY 6 N 5.53 4.70 3.04 8.20 0.00 -1.17 -5.02 105.19 120.47 1mx7 n GLY 6 Ca 0.49 -0.54 -0.02 0.00 0.00 0.00 0.00 46.02 45.95 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 1.67 -1.44 -0.23 1.61 5.04 -1.26 -4.26 117.35 118.48 1mx7 s TYR 7 Ca 0.00 0.79 -0.19 0.00 -2.44 0.00 0.00 57.07 55.22 1mx7 s TYR 7 Cb 0.00 0.12 -0.03 0.00 0.35 0.00 0.00 41.96 42.40 1mx7 s TYR 7 CO 0.00 -1.02 0.58 -0.46 -1.34 0.00 0.00 175.55 173.31 1mx7 s TRP 8 N 2.70 3.33 -0.14 4.97 -0.00 -0.78 -0.57 118.94 128.44 1mx7 s TRP 8 Ca 0.11 0.80 -0.13 0.00 -0.00 0.00 0.00 56.10 56.88 1mx7 s TRP 8 Cb -0.12 -2.76 -0.05 0.00 -0.00 0.00 0.00 33.47 30.54 1mx7 s TRP 8 CO -0.27 -0.22 0.27 -1.59 -0.00 0.00 0.00 176.95 175.14 1mx7 s LYS 9 N 2.09 4.12 0.45 5.86 0.00 -0.72 -3.10 119.74 128.45 1mx7 s LYS 9 Ca 0.25 0.07 -0.20 0.00 0.00 0.00 0.00 55.97 56.09 1mx7 s LYS 9 Cb -0.16 -3.38 -0.10 0.00 0.00 0.00 0.00 37.83 34.20 1mx7 s LYS 9 CO 0.09 0.35 0.97 0.00 0.00 0.00 0.00 175.35 176.77 1mx7 s MET 10 N 0.12 4.11 0.13 1.78 0.00 -1.26 -1.78 119.30 122.40 1mx7 s MET 10 Ca 0.16 1.15 0.00 0.00 0.00 0.00 0.00 55.69 57.00 1mx7 s MET 10 Cb -0.13 -2.16 0.00 0.00 0.00 0.00 0.00 34.83 32.54 1mx7 s MET 10 CO 0.04 -0.14 0.00 -0.11 0.00 0.00 0.00 175.02 174.81 1mx7 n LEU 11 N -0.82 0.79 -4.40 0.18 7.94 -0.73 -4.89 117.00 115.07 1mx7 n LEU 11 Ca 0.07 0.20 -0.20 0.00 -1.11 0.00 0.00 56.01 54.97 1mx7 n LEU 11 Cb 0.54 -0.17 -0.10 0.00 0.53 0.00 0.00 43.42 44.22 1mx7 n LEU 11 CO 0.39 -0.72 -0.24 -0.55 -1.11 0.00 0.00 177.39 175.16 1mx7 s SER 12 N -5.74 1.95 -0.28 1.96 0.15 -0.48 -4.99 113.70 106.29 1mx7 s SER 12 Ca 0.00 -1.47 -0.21 0.00 0.70 0.00 0.00 55.95 54.97 1mx7 s SER 12 Cb 0.00 0.19 0.09 0.00 -1.71 0.00 0.00 66.02 64.59 1mx7 s SER 12 CO 0.00 -0.76 0.76 0.54 1.20 0.00 0.00 173.24 174.98 1mx7 s ASN 13 N -3.44 -0.78 0.00 5.45 2.20 -1.26 -2.95 114.94 114.16 1mx7 s ASN 13 Ca 0.34 1.37 0.00 0.00 -0.94 0.00 0.00 52.86 53.63 1mx7 s ASN 13 Cb 0.07 1.36 0.00 0.00 -2.00 0.00 0.00 41.25 40.67 1mx7 s ASN 13 CO 0.15 -0.23 0.00 -0.62 -2.94 0.00 0.00 177.10 173.46 1mx7 n GLU 14 N 3.35 0.00 -2.30 3.55 4.71 -1.25 -4.83 120.64 123.87 1mx7 n GLU 14 Ca -0.17 0.00 -0.40 0.00 -0.01 0.00 0.00 57.16 56.59 1mx7 n GLU 14 Cb 0.57 -0.09 0.01 0.00 -1.01 0.00 0.00 31.44 30.92 1mx7 n GLU 14 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1mx7 n ASN 15 N -1.66 7.55 0.21 1.62 4.13 -1.26 -4.77 115.26 121.07 1mx7 n ASN 15 Ca 0.00 -3.50 -0.11 0.00 1.68 0.00 0.00 54.58 52.65 1mx7 n ASN 15 Cb 0.00 -1.22 -0.06 0.00 -1.54 0.00 0.00 39.78 36.96 1mx7 n ASN 15 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1mx7 h PHE 16 N 4.15 -0.54 0.00 3.10 3.57 -1.99 -2.70 116.94 122.53 1mx7 h PHE 16 Ca 0.59 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 62.00 1mx7 h PHE 16 Cb 0.31 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1mx7 h PHE 16 CO 1.42 -0.26 -0.36 0.93 -2.23 0.00 0.00 178.31 177.81 1mx7 h GLU 17 N -1.09 0.00 0.00 1.11 5.08 -1.94 -2.57 114.58 115.17 1mx7 h GLU 17 Ca -0.06 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1mx7 h GLU 17 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1mx7 h GLU 17 CO 0.10 0.36 -0.27 1.49 -1.00 0.00 0.00 179.01 179.68 1mx7 h GLU 18 N 0.00 0.00 -0.10 2.33 4.81 -1.93 -2.64 114.58 117.05 1mx7 h GLU 18 Ca -0.00 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 1mx7 h GLU 18 Cb 0.67 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.06 1mx7 h GLU 18 CO 0.05 0.27 -0.68 -0.92 -0.73 0.00 0.00 179.01 177.00 1mx7 h TYR 19 N 0.00 0.87 0.00 0.92 3.20 -1.11 -2.88 116.97 117.98 1mx7 h TYR 19 Ca -0.00 -0.41 -0.09 0.00 3.14 0.00 0.00 58.73 61.37 1mx7 h TYR 19 Cb 1.03 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 1mx7 h TYR 19 CO 0.00 1.22 -0.44 -0.07 -1.64 0.00 0.00 178.16 177.22 1mx7 h LEU 20 N 0.29 0.00 -0.66 2.82 3.38 -1.49 -2.82 115.31 116.83 1mx7 h LEU 20 Ca -0.06 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1mx7 h LEU 20 Cb 1.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 1mx7 h LEU 20 CO 0.14 0.44 -0.63 -0.09 0.09 0.00 0.00 178.44 178.39 1mx7 h ARG 21 N 0.00 0.00 0.00 1.13 2.43 -1.48 -2.18 114.38 114.28 1mx7 h ARG 21 Ca -0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1mx7 h ARG 21 Cb 0.88 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1mx7 h ARG 21 CO 0.06 0.63 -0.46 0.00 -1.51 0.00 0.00 179.97 178.69 1mx7 h ALA 22 N 1.37 1.23 -0.08 2.80 0.00 -1.27 -3.15 119.26 120.15 1mx7 h ALA 22 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1mx7 h ALA 22 Cb 1.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1mx7 h ALA 22 CO 0.08 0.57 0.00 1.28 0.00 0.00 0.00 179.25 181.19 1mx7 n LEU 23 N -3.98 2.58 -3.31 0.00 4.77 -1.19 -4.88 117.00 110.98 1mx7 n LEU 23 Ca -0.02 -1.12 -0.25 0.00 -0.03 0.00 0.00 56.01 54.60 1mx7 n LEU 23 Cb 0.48 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1mx7 n LEU 23 CO 0.40 0.48 -0.30 0.47 -1.33 0.00 0.00 177.39 177.11 1mx7 n ASP 24 N 1.00 -6.18 -2.42 -1.43 9.92 -0.83 -4.72 116.55 111.90 1mx7 n ASP 24 Ca 0.11 0.14 -0.30 0.00 -0.53 0.00 0.00 54.79 54.21 1mx7 n ASP 24 Cb 0.45 -2.28 0.02 0.00 -0.64 0.00 0.00 41.12 38.67 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 0.19 2.80 -1.30 2.53 0.24 -1.18 -4.67 118.33 116.94 1mx7 n VAL 25 Ca -0.04 -4.37 0.00 0.00 -2.04 0.00 0.00 64.34 57.89 1mx7 n VAL 25 Cb 0.58 -1.22 0.00 0.00 -1.47 0.00 0.00 33.84 31.74 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 -0.61 -7.19 0.16 -1.34 3.02 -1.26 -4.39 115.26 103.65 1mx7 n ASN 26 Ca 0.46 1.00 0.03 0.00 -0.03 0.00 0.00 54.58 56.05 1mx7 n ASN 26 Cb 0.66 -3.65 0.43 0.00 -0.61 0.00 0.00 39.78 36.62 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 1.47 1.16 -0.12 2.41 -1.51 -1.99 -3.00 116.25 114.67 1mx7 h VAL 27 Ca 0.00 -0.74 -0.19 0.00 -1.23 0.00 0.00 66.70 64.54 1mx7 h VAL 27 Cb 0.00 1.26 0.01 0.00 -2.13 0.00 0.00 31.29 30.43 1mx7 h VAL 27 CO 0.00 0.22 -0.68 0.00 -1.23 0.00 0.00 177.57 175.88 1mx7 h ALA 28 N 1.71 0.25 -0.34 5.19 0.00 -1.98 -2.43 119.26 121.66 1mx7 h ALA 28 Ca 0.03 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 1mx7 h ALA 28 Cb 0.36 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1mx7 h ALA 28 CO 0.02 0.56 -0.03 1.25 0.00 0.00 0.00 179.25 181.05 1mx7 h LEU 29 N 0.36 0.52 -0.09 0.00 5.85 -1.74 0.46 115.31 120.65 1mx7 h LEU 29 Ca -0.05 -0.11 -0.23 0.00 0.84 0.00 0.00 57.88 58.33 1mx7 h LEU 29 Cb 1.32 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1mx7 h LEU 29 CO 0.14 0.61 -1.02 -0.09 -0.34 0.00 0.00 178.44 177.74 1mx7 h ARG 30 N 0.52 0.22 0.04 1.25 1.12 -1.58 0.73 114.38 116.68 1mx7 h ARG 30 Ca 0.11 -0.29 -0.23 0.00 -1.11 0.00 0.00 59.98 58.46 1mx7 h ARG 30 Cb 0.39 0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.44 1mx7 h ARG 30 CO 0.02 1.07 -1.01 -0.22 -3.11 0.00 0.00 179.97 176.71 1mx7 h LYS 31 N 0.09 0.24 0.13 0.20 3.64 -1.14 -1.36 116.57 118.39 1mx7 h LYS 31 Ca -0.07 -0.31 -0.30 0.00 -1.27 0.00 0.00 60.65 58.70 1mx7 h LYS 31 Cb 1.71 0.10 0.03 0.00 -0.41 0.00 0.00 32.23 33.65 1mx7 h LYS 31 CO 0.16 1.07 -1.26 0.82 -2.27 0.00 0.00 179.45 177.97 1mx7 h ILE 32 N 0.11 1.32 0.00 2.00 5.03 -0.12 -3.19 117.51 122.66 1mx7 h ILE 32 Ca -0.07 -2.57 -0.00 0.00 -0.12 0.00 0.00 64.86 62.09 1mx7 h ILE 32 Cb 1.69 2.76 -0.00 0.00 -3.03 0.00 0.00 36.82 38.24 1mx7 h ILE 32 CO 0.16 0.78 -0.01 0.00 -0.68 0.00 0.00 178.15 178.40 1mx7 h ALA 33 N 0.34 1.00 0.03 1.87 0.00 -0.87 -3.13 119.26 118.50 1mx7 h ALA 33 Ca -0.18 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.50 1mx7 h ALA 33 Cb 1.94 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1mx7 h ALA 33 CO 0.24 0.01 -0.97 -0.97 0.00 0.00 0.00 179.25 177.55 1mx7 h ASN 34 N 0.00 0.28 -0.75 0.00 -1.24 -1.23 -3.17 115.58 109.48 1mx7 h ASN 34 Ca -0.00 -0.25 -0.41 0.00 0.71 0.00 0.00 56.30 56.35 1mx7 h ASN 34 Cb 0.66 -0.09 -0.23 0.00 0.73 0.00 0.00 38.32 39.40 1mx7 h ASN 34 CO 0.00 1.10 0.52 0.18 -1.29 0.00 0.00 177.43 177.94 1mx7 n LEU 35 N -3.60 6.05 -3.70 0.34 4.77 -1.18 -4.84 117.00 114.84 1mx7 n LEU 35 Ca -0.04 -3.21 -0.13 0.00 -0.03 0.00 0.00 56.01 52.59 1mx7 n LEU 35 Cb 0.87 -0.80 -0.09 0.00 -2.33 0.00 0.00 43.42 41.07 1mx7 n LEU 35 CO 0.49 0.99 0.18 -0.22 -1.33 0.00 0.00 177.39 177.50 1mx7 s LEU 36 N -2.55 0.11 -0.17 2.23 2.96 -1.20 -5.07 118.68 115.00 1mx7 s LEU 36 Ca 0.44 0.96 0.01 0.00 -0.22 0.00 0.00 54.13 55.32 1mx7 s LEU 36 Cb 0.36 1.71 0.02 0.00 0.50 0.00 0.00 46.19 48.79 1mx7 s LEU 36 CO 0.07 -0.19 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.19 1mx7 s LYS 37 N 0.17 2.64 -0.40 1.98 -0.14 -1.26 -4.86 119.74 117.88 1mx7 s LYS 37 Ca -0.01 -0.74 -0.29 0.00 -1.36 0.00 0.00 55.97 53.58 1mx7 s LYS 37 Cb -0.03 -2.39 0.01 0.00 -1.68 0.00 0.00 37.83 33.74 1mx7 s LYS 37 CO 0.01 -0.24 1.32 -1.25 -0.76 0.00 0.00 175.35 174.42 1mx7 s PRO 38 N 1.37 3.71 -0.20 -1.68 0.04 -1.26 -5.00 135.00 131.98 1mx7 s PRO 38 Ca 0.04 0.94 -0.26 0.00 0.04 0.00 0.00 61.00 61.76 1mx7 s PRO 38 Cb -0.13 -3.96 -0.01 0.00 0.04 0.00 0.00 34.50 30.45 1mx7 s PRO 38 CO -0.12 -1.40 0.88 0.16 0.04 0.00 0.00 177.00 176.57 1mx7 s ASP 39 N 3.27 6.97 -0.16 6.66 1.47 -1.20 -4.76 116.67 128.91 1mx7 s ASP 39 Ca 0.57 1.20 -0.06 0.00 1.18 0.00 0.00 52.55 55.43 1mx7 s ASP 39 Cb -0.13 -2.47 -0.04 0.00 -0.34 0.00 0.00 42.92 39.94 1mx7 s ASP 39 CO 0.30 -0.49 0.05 -0.75 0.68 0.00 0.00 175.17 174.95 1mx7 s LYS 40 N 2.54 3.78 -0.13 2.11 2.20 -1.18 -2.83 119.74 126.24 1mx7 s LYS 40 Ca 0.39 -0.36 0.01 0.00 -0.36 0.00 0.00 55.97 55.65 1mx7 s LYS 40 Cb -0.16 -3.12 -0.01 0.00 -1.51 0.00 0.00 37.83 33.03 1mx7 s LYS 40 CO 0.10 0.36 -0.16 -2.00 -0.36 0.00 0.00 175.35 173.29 1mx7 s GLU 41 N 0.12 3.28 -0.02 4.03 2.12 -0.56 -1.87 118.70 125.79 1mx7 s GLU 41 Ca 0.04 -0.74 -0.02 0.00 0.36 0.00 0.00 54.97 54.61 1mx7 s GLU 41 Cb -0.12 -2.55 -0.04 0.00 0.26 0.00 0.00 34.13 31.68 1mx7 s GLU 41 CO 0.01 0.18 0.11 0.42 -0.54 0.00 0.00 175.26 175.44 1mx7 s ILE 42 N 0.41 5.00 -0.04 -3.70 1.01 -1.26 -2.33 121.20 120.29 1mx7 s ILE 42 Ca -0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.26 1mx7 s ILE 42 Cb -0.16 -3.28 0.03 0.00 0.01 0.00 0.00 42.46 39.06 1mx7 s ILE 42 CO 0.06 0.39 0.07 -0.69 0.00 0.00 0.00 174.94 174.77 1mx7 s VAL 43 N -1.19 -0.11 0.17 2.92 1.01 -1.09 -3.06 120.40 119.05 1mx7 s VAL 43 Ca 0.23 0.33 0.07 0.00 0.00 0.00 0.00 61.98 62.61 1mx7 s VAL 43 Cb -0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 1mx7 s VAL 43 CO 0.13 0.14 -0.01 -1.10 0.00 0.00 0.00 175.10 174.26 1mx7 s GLN 44 N 1.74 2.38 -0.40 2.72 -1.52 -1.26 -1.40 119.66 121.91 1mx7 s GLN 44 Ca -0.01 -1.10 0.11 0.00 -1.95 0.00 0.00 55.36 52.41 1mx7 s GLN 44 Cb -0.12 -2.35 0.41 0.00 -0.22 0.00 0.00 33.01 30.72 1mx7 s GLN 44 CO -0.04 0.46 0.94 -0.25 -0.25 0.00 0.00 175.29 176.16 1mx7 n ASP 45 N -0.04 2.62 0.00 5.90 8.00 0.17 -4.98 116.55 128.22 1mx7 n ASP 45 Ca -0.10 -3.19 0.00 0.00 0.71 0.00 0.00 54.79 52.21 1mx7 n ASP 45 Cb 0.55 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1mx7 n ASP 45 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mx7 n GLY 46 N -0.12 1.93 0.12 0.44 0.00 -1.26 -2.96 105.19 103.33 1mx7 n GLY 46 Ca 0.24 0.05 -0.24 0.00 0.00 0.00 0.00 46.02 46.07 1mx7 n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mx7 n ASP 47 N 5.95 1.90 -4.77 1.61 2.03 -1.26 -4.92 116.55 117.09 1mx7 n ASP 47 Ca 0.00 0.38 -0.40 0.00 0.52 0.00 0.00 54.79 55.29 1mx7 n ASP 47 Cb 0.00 -0.92 0.01 0.00 -0.72 0.00 0.00 41.12 39.49 1mx7 n ASP 47 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1mx7 s HIS 48 N -2.41 2.50 0.01 -0.67 3.76 -1.15 -3.04 115.29 114.28 1mx7 s HIS 48 Ca -0.31 1.22 0.02 0.00 -0.15 0.00 0.00 55.06 55.85 1mx7 s HIS 48 Cb 0.08 -3.96 -0.01 0.00 1.11 0.00 0.00 32.58 29.80 1mx7 s HIS 48 CO 0.58 -2.97 -0.07 1.41 -0.85 0.00 0.00 174.74 172.84 1mx7 s MET 49 N -2.32 0.53 -0.03 1.40 0.00 0.20 0.44 119.30 119.52 1mx7 s MET 49 Ca 0.58 -0.34 0.03 0.00 0.00 0.00 0.00 55.69 55.96 1mx7 s MET 49 Cb -0.45 -0.48 -0.00 0.00 0.00 0.00 0.00 34.83 33.90 1mx7 s MET 49 CO 0.59 0.12 -0.12 0.42 0.00 0.00 0.00 175.02 176.04 1mx7 s ILE 50 N -0.39 1.00 -0.30 10.11 1.01 -0.49 0.46 121.20 132.60 1mx7 s ILE 50 Ca 0.00 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.19 1mx7 s ILE 50 Cb -0.04 -0.86 0.08 0.00 0.01 0.00 0.00 42.46 41.65 1mx7 s ILE 50 CO -0.00 0.30 -0.03 -0.63 0.00 0.00 0.00 174.94 174.57 1mx7 s ILE 51 N 0.03 2.23 -0.38 2.92 -1.09 -0.68 -2.68 121.20 121.55 1mx7 s ILE 51 Ca -0.01 -1.97 -0.21 0.00 -2.23 0.00 0.00 60.65 56.23 1mx7 s ILE 51 Cb -0.08 -2.48 0.01 0.00 -1.58 0.00 0.00 42.46 38.33 1mx7 s ILE 51 CO 0.01 -0.30 0.69 -0.13 -1.23 0.00 0.00 174.94 173.98 1mx7 s ARG 52 N 1.01 3.60 -0.56 2.79 0.52 -0.98 -2.89 118.95 122.44 1mx7 s ARG 52 Ca 0.00 0.02 -0.07 0.00 -0.52 0.00 0.00 55.73 55.17 1mx7 s ARG 52 Cb -0.20 -3.85 0.15 0.00 0.52 0.00 0.00 34.95 31.57 1mx7 s ARG 52 CO -0.06 -0.85 0.41 0.99 0.02 0.00 0.00 175.30 175.81 1mx7 s THR 53 N 2.88 4.08 0.08 0.02 2.01 -0.62 -1.49 115.64 122.59 1mx7 s THR 53 Ca 0.26 -2.31 -0.08 0.00 0.31 0.00 0.00 61.69 59.87 1mx7 s THR 53 Cb -0.14 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 1mx7 s THR 53 CO 0.17 -0.83 0.36 -0.76 -0.69 0.00 0.00 174.62 172.87 1mx7 s LEU 54 N 0.69 4.34 0.33 4.42 2.01 -1.13 -1.98 118.68 127.36 1mx7 s LEU 54 Ca 0.11 0.69 -0.17 0.00 0.01 0.00 0.00 54.13 54.77 1mx7 s LEU 54 Cb -0.22 -2.98 0.03 0.00 0.01 0.00 0.00 46.19 43.04 1mx7 s LEU 54 CO -0.03 0.17 0.73 -0.44 1.01 0.00 0.00 176.35 177.79 1mx7 s SER 55 N -1.90 -0.08 0.00 2.29 0.01 -1.17 -3.25 113.70 109.60 1mx7 s SER 55 Ca 0.33 -0.91 0.23 0.00 1.31 0.00 0.00 55.95 56.91 1mx7 s SER 55 Cb -0.13 0.78 0.16 0.00 0.21 0.00 0.00 66.02 67.04 1mx7 s SER 55 CO 0.19 -1.50 1.18 0.35 0.41 0.00 0.00 173.24 173.87 1mx7 n THR 56 N -0.49 0.00 -0.11 1.44 -2.24 -1.26 -4.28 114.28 107.33 1mx7 n THR 56 Ca -0.06 -0.05 -0.23 0.00 -2.27 0.00 0.00 64.05 61.44 1mx7 n THR 56 Cb 0.60 0.71 -0.11 0.00 -2.10 0.00 0.00 70.33 69.43 1mx7 n THR 56 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1mx7 n PHE 57 N -1.20 0.74 -3.64 4.78 7.35 -1.26 -5.08 117.46 119.16 1mx7 n PHE 57 Ca 0.06 0.32 -0.05 0.00 -0.76 0.00 0.00 57.45 57.02 1mx7 n PHE 57 Cb 0.35 -1.06 0.02 0.00 0.35 0.00 0.00 39.48 39.14 1mx7 n PHE 57 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 1mx7 n ARG 58 N -4.39 0.70 -4.08 -4.13 -4.01 -1.26 -5.19 116.66 94.29 1mx7 n ARG 58 Ca -0.37 -1.42 -0.09 0.00 -1.04 0.00 0.00 57.85 54.93 1mx7 n ARG 58 Cb 0.72 1.81 -0.10 0.00 -3.04 0.00 0.00 32.46 31.85 1mx7 n ARG 58 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 1mx7 s ASN 59 N -2.58 0.61 -0.22 2.89 6.03 -1.26 -3.05 114.94 117.37 1mx7 s ASN 59 Ca 0.13 -0.85 0.01 0.00 -1.03 0.00 0.00 52.86 51.12 1mx7 s ASN 59 Cb -0.03 0.14 0.05 0.00 -3.03 0.00 0.00 41.25 38.38 1mx7 s ASN 59 CO 0.07 -0.47 -0.09 -0.47 -2.03 0.00 0.00 177.10 174.11 1mx7 s TYR 60 N -3.07 2.56 -0.13 1.54 6.14 -0.84 -5.02 117.35 118.53 1mx7 s TYR 60 Ca 0.01 -1.76 -0.00 0.00 0.64 0.00 0.00 57.07 55.97 1mx7 s TYR 60 Cb 0.02 -1.68 -0.01 0.00 0.42 0.00 0.00 41.96 40.71 1mx7 s TYR 60 CO -0.06 -0.78 -0.13 0.42 0.64 0.00 0.00 175.55 175.64 1mx7 s ILE 61 N 1.35 3.03 0.13 3.14 -1.09 -1.26 -1.59 121.20 124.90 1mx7 s ILE 61 Ca -0.04 -0.67 0.05 0.00 -2.23 0.00 0.00 60.65 57.77 1mx7 s ILE 61 Cb -0.17 -2.27 -0.04 0.00 -1.58 0.00 0.00 42.46 38.39 1mx7 s ILE 61 CO -0.07 0.52 -0.13 -0.04 -1.23 0.00 0.00 174.94 174.00 1mx7 s MET 62 N 0.36 1.03 -0.41 2.79 -1.94 -1.14 -4.99 119.30 115.00 1mx7 s MET 62 Ca -0.11 -1.30 0.06 0.00 -1.71 0.00 0.00 55.69 52.63 1mx7 s MET 62 Cb -0.16 -0.80 0.21 0.00 2.01 0.00 0.00 34.83 36.09 1mx7 s MET 62 CO 0.06 0.14 0.45 -0.25 -0.01 0.00 0.00 175.02 175.41 1mx7 n ASP 63 N 0.31 -0.39 -4.83 3.03 9.92 -1.26 -1.69 116.55 121.64 1mx7 n ASP 63 Ca -0.14 -2.57 -0.30 0.00 -0.53 0.00 0.00 54.79 51.25 1mx7 n ASP 63 Cb 0.58 -0.42 0.06 0.00 -0.64 0.00 0.00 41.12 40.70 1mx7 n ASP 63 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1mx7 s PHE 64 N -0.45 3.11 -0.24 1.24 0.40 0.17 -4.82 117.98 117.40 1mx7 s PHE 64 Ca 0.34 1.22 -0.01 0.00 -0.60 0.00 0.00 56.93 57.87 1mx7 s PHE 64 Cb 0.10 -3.00 0.07 0.00 0.51 0.00 0.00 43.02 40.71 1mx7 s PHE 64 CO -0.16 -1.37 0.03 -0.65 0.70 0.00 0.00 175.22 173.77 1mx7 s GLN 65 N -5.17 0.93 0.26 0.44 -0.21 -1.26 0.58 119.66 115.23 1mx7 s GLN 65 Ca 0.59 -0.77 -0.30 0.00 0.02 0.00 0.00 55.36 54.90 1mx7 s GLN 65 Cb -0.13 -2.22 -0.10 0.00 1.00 0.00 0.00 33.01 31.55 1mx7 s GLN 65 CO 0.54 -0.73 1.47 0.54 -2.12 0.00 0.00 175.29 174.99 1mx7 s VAL 66 N 1.66 2.53 -1.46 1.09 0.11 -1.17 -3.02 120.40 120.13 1mx7 s VAL 66 Ca 0.01 0.45 -0.07 0.00 -2.93 0.00 0.00 61.98 59.43 1mx7 s VAL 66 Cb -0.18 -3.28 0.03 0.00 -1.53 0.00 0.00 36.38 31.42 1mx7 s VAL 66 CO -0.12 0.07 0.68 0.61 -3.33 0.00 0.00 175.10 173.01 1mx7 n GLY 67 N 2.15 -0.51 3.49 6.54 0.00 -0.56 -4.87 105.19 111.43 1mx7 n GLY 67 Ca 0.07 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 1mx7 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mx7 s LYS 68 N -5.95 0.68 0.29 1.61 1.02 -1.13 -4.97 119.74 111.30 1mx7 s LYS 68 Ca 0.40 0.84 -0.29 0.00 0.02 0.00 0.00 55.97 56.94 1mx7 s LYS 68 Cb -0.19 0.32 -0.13 0.00 -0.52 0.00 0.00 37.83 37.30 1mx7 s LYS 68 CO 0.49 -0.09 1.18 -1.91 -0.92 0.00 0.00 175.35 174.11 1mx7 n GLU 69 N 2.88 1.73 -3.50 1.68 2.13 -1.26 -3.85 120.64 120.45 1mx7 n GLU 69 Ca -0.14 0.61 -0.28 0.00 0.66 0.00 0.00 57.16 58.01 1mx7 n GLU 69 Cb 0.56 -2.11 -0.13 0.00 0.27 0.00 0.00 31.44 30.03 1mx7 n GLU 69 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1mx7 s PHE 70 N -0.86 0.38 0.23 4.31 5.36 0.25 -4.96 117.98 122.68 1mx7 s PHE 70 Ca 0.60 -1.08 -0.30 0.00 -0.96 0.00 0.00 56.93 55.19 1mx7 s PHE 70 Cb -0.65 -0.85 -0.09 0.00 -0.34 0.00 0.00 43.02 41.09 1mx7 s PHE 70 CO 0.59 -0.84 1.10 -2.00 -1.46 0.00 0.00 175.22 172.61 1mx7 s GLU 71 N 1.74 4.62 -0.02 10.12 2.12 -1.26 -1.71 118.70 134.30 1mx7 s GLU 71 Ca 0.12 1.76 0.00 0.00 0.36 0.00 0.00 54.97 57.22 1mx7 s GLU 71 Cb -0.18 -3.23 0.03 0.00 0.26 0.00 0.00 34.13 31.00 1mx7 s GLU 71 CO -0.23 0.14 0.01 -2.00 -0.54 0.00 0.00 175.26 172.64 1mx7 s GLU 72 N -0.88 0.18 -0.28 4.30 -6.30 0.20 -4.94 118.70 110.98 1mx7 s GLU 72 Ca 0.47 0.10 -0.09 0.00 -2.50 0.00 0.00 54.97 52.96 1mx7 s GLU 72 Cb -0.31 -0.38 -0.02 0.00 0.00 0.00 0.00 34.13 33.42 1mx7 s GLU 72 CO 0.38 -0.14 0.12 0.16 0.02 0.00 0.00 175.26 175.80 1mx7 s ASP 73 N 0.97 5.41 -0.10 -1.70 -4.77 -1.26 -2.15 116.67 113.07 1mx7 s ASP 73 Ca -0.09 -0.29 0.02 0.00 -3.30 0.00 0.00 52.55 48.89 1mx7 s ASP 73 Cb -0.13 -1.98 0.01 0.00 -1.09 0.00 0.00 42.92 39.74 1mx7 s ASP 73 CO -0.02 -0.09 -0.16 -0.22 0.70 0.00 0.00 175.17 175.37 1mx7 s LEU 74 N 1.64 1.79 -0.25 2.11 1.98 -1.21 -5.05 118.68 119.69 1mx7 s LEU 74 Ca 0.06 -0.44 -0.03 0.00 -2.89 0.00 0.00 54.13 50.83 1mx7 s LEU 74 Cb -0.16 -1.12 0.10 0.00 0.66 0.00 0.00 46.19 45.67 1mx7 s LEU 74 CO 0.06 0.04 0.21 0.42 -1.89 0.00 0.00 176.35 175.19 1mx7 s THR 75 N 0.84 -0.27 0.00 3.68 -4.23 -1.26 -2.15 115.64 112.26 1mx7 s THR 75 Ca -0.09 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 1mx7 s THR 75 Cb -0.15 -0.83 0.00 0.00 1.34 0.00 0.00 72.50 72.85 1mx7 s THR 75 CO 0.01 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 1mx7 n GLY 76 N 5.30 1.17 3.50 3.99 0.00 -1.26 -4.90 105.19 112.98 1mx7 n GLY 76 Ca -0.05 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1mx7 n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mx7 s ILE 77 N 0.00 4.17 0.00 -0.61 1.09 -1.26 -4.21 121.20 120.38 1mx7 s ILE 77 Ca 0.00 -0.47 0.00 0.00 -1.10 0.00 0.00 60.65 59.08 1mx7 s ILE 77 Cb 0.00 -4.84 0.00 0.00 -1.06 0.00 0.00 42.46 36.56 1mx7 s ILE 77 CO 0.00 -1.66 0.00 -0.67 -0.10 0.00 0.00 174.94 172.51 1mx7 n ASP 78 N 8.14 0.00 -0.21 3.58 -0.08 -1.26 -4.94 116.55 121.78 1mx7 n ASP 78 Ca 0.10 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 1mx7 n ASP 78 Cb 0.48 -0.13 0.00 0.00 2.34 0.00 0.00 41.12 43.81 1mx7 n ASP 78 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1mx7 n ASP 79 N 0.00 -2.08 0.00 1.67 5.68 -1.26 -4.99 116.55 115.57 1mx7 n ASP 79 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1mx7 n ASP 79 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1mx7 n ASP 79 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1mx7 n ARG 80 N -0.41 0.00 -2.98 0.11 0.63 -0.91 -4.82 116.66 108.27 1mx7 n ARG 80 Ca 0.00 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.71 1mx7 n ARG 80 Cb 0.00 0.00 0.01 0.00 0.45 0.00 0.00 32.46 32.92 1mx7 n ARG 80 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1mx7 s LYS 81 N -5.13 3.00 -0.13 -0.14 -2.85 -1.26 -3.30 119.74 109.92 1mx7 s LYS 81 Ca 0.00 -0.59 -0.21 0.00 -1.00 0.00 0.00 55.97 54.17 1mx7 s LYS 81 Cb 0.00 -2.58 0.05 0.00 -2.06 0.00 0.00 37.83 33.24 1mx7 s LYS 81 CO 0.00 -0.30 0.53 0.00 0.10 0.00 0.00 175.35 175.68 1mx7 n MET 83 N 2.03 3.37 -1.66 0.00 2.81 -1.26 -0.63 117.12 121.78 1mx7 n MET 83 Ca -0.16 -4.35 -0.50 0.00 -1.81 0.00 0.00 57.70 50.88 1mx7 n MET 83 Cb 0.56 -2.27 -0.05 0.00 -0.71 0.00 0.00 33.22 30.76 1mx7 n MET 83 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1mx7 n THR 84 N -0.44 0.19 -3.96 2.03 -1.04 -0.70 -4.53 114.28 105.84 1mx7 n THR 84 Ca 0.42 -0.03 -0.30 0.00 -2.04 0.00 0.00 64.05 62.09 1mx7 n THR 84 Cb 0.50 -1.38 -0.16 0.00 -1.82 0.00 0.00 70.33 67.47 1mx7 n THR 84 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1mx7 s THR 85 N 1.96 1.53 0.52 12.58 2.01 -0.84 0.84 115.64 134.24 1mx7 s THR 85 Ca 0.87 -1.05 -0.07 0.00 0.31 0.00 0.00 61.69 61.74 1mx7 s THR 85 Cb -0.82 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 1mx7 s THR 85 CO 0.48 0.05 0.86 -0.69 -0.69 0.00 0.00 174.62 174.62 1mx7 s VAL 86 N 1.42 4.84 0.21 3.82 1.01 -1.25 -3.00 120.40 127.46 1mx7 s VAL 86 Ca -0.03 0.43 -0.18 0.00 0.00 0.00 0.00 61.98 62.21 1mx7 s VAL 86 Cb -0.17 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.38 1mx7 s VAL 86 CO -0.07 -0.91 0.55 -0.44 0.00 0.00 0.00 175.10 174.23 1mx7 s SER 87 N -4.05 -0.25 -0.16 3.32 0.01 0.27 -1.50 113.70 111.34 1mx7 s SER 87 Ca 0.50 -0.53 -0.00 0.00 1.31 0.00 0.00 55.95 57.23 1mx7 s SER 87 Cb -0.10 0.60 -0.00 0.00 0.21 0.00 0.00 66.02 66.72 1mx7 s SER 87 CO 0.46 -1.10 -0.13 0.86 0.41 0.00 0.00 173.24 173.74 1mx7 s TRP 88 N -3.89 2.81 -0.25 2.43 -0.00 -1.26 -2.07 118.94 116.71 1mx7 s TRP 88 Ca 0.10 -0.97 -0.03 0.00 -0.00 0.00 0.00 56.10 55.20 1mx7 s TRP 88 Cb -0.02 -1.91 0.10 0.00 -0.00 0.00 0.00 33.47 31.64 1mx7 s TRP 88 CO -0.01 -0.44 0.18 0.34 -0.00 0.00 0.00 176.95 177.02 1mx7 s ASP 89 N 0.83 2.45 0.27 5.86 2.15 -1.26 -5.02 116.67 121.95 1mx7 s ASP 89 Ca -0.04 -0.83 0.00 0.00 0.43 0.00 0.00 52.55 52.11 1mx7 s ASP 89 Cb -0.15 0.02 0.00 0.00 -0.30 0.00 0.00 42.92 42.49 1mx7 s ASP 89 CO 0.00 -0.39 0.00 0.61 -0.17 0.00 0.00 175.17 175.22 1mx7 n GLY 90 N 5.28 0.30 1.73 2.66 0.00 -1.26 -3.26 105.19 110.65 1mx7 n GLY 90 Ca -0.05 -0.92 0.05 0.00 0.00 0.00 0.00 46.02 45.10 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 0.93 5.10 -3.39 1.61 9.92 -1.26 -4.92 116.55 124.53 1mx7 n ASP 91 Ca 0.00 -2.83 -0.11 0.00 -0.53 0.00 0.00 54.79 51.32 1mx7 n ASP 91 Cb 0.00 -0.67 0.02 0.00 -0.64 0.00 0.00 41.12 39.83 1mx7 n ASP 91 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1mx7 n LYS 92 N 0.50 0.94 -4.32 -1.24 5.02 -1.20 -4.78 118.16 113.07 1mx7 n LYS 92 Ca 0.25 -1.58 -0.23 0.00 -2.02 0.00 0.00 58.31 54.74 1mx7 n LYS 92 Cb 1.10 0.02 -0.17 0.00 -0.02 0.00 0.00 35.03 35.96 1mx7 n LYS 92 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1mx7 s LEU 93 N 0.00 1.44 -0.09 -0.35 2.96 -1.18 -4.28 118.68 117.18 1mx7 s LEU 93 Ca 0.23 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 1mx7 s LEU 93 Cb -0.02 -0.66 0.02 0.00 0.50 0.00 0.00 46.19 46.03 1mx7 s LEU 93 CO 0.14 -0.02 -0.12 -1.10 -1.32 0.00 0.00 176.35 173.93 1mx7 s GLN 94 N 0.90 1.78 -0.11 1.98 1.11 -0.88 -2.69 119.66 121.76 1mx7 s GLN 94 Ca -0.11 -0.40 0.02 0.00 0.01 0.00 0.00 55.36 54.88 1mx7 s GLN 94 Cb -0.15 -1.59 0.01 0.00 -1.01 0.00 0.00 33.01 30.28 1mx7 s GLN 94 CO 0.01 -0.09 -0.16 0.00 0.01 0.00 0.00 175.29 175.06 1mx7 s VAL 96 N 0.94 2.03 0.05 0.00 1.01 -1.16 -3.05 120.40 120.22 1mx7 s VAL 96 Ca -0.07 -1.26 0.07 0.00 0.00 0.00 0.00 61.98 60.72 1mx7 s VAL 96 Cb -0.15 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1mx7 s VAL 96 CO -0.01 0.41 -0.19 -1.10 0.00 0.00 0.00 175.10 174.21 1mx7 s GLN 97 N -1.01 1.19 0.00 2.72 -0.21 -1.23 -1.98 119.66 119.13 1mx7 s GLN 97 Ca 0.11 -0.93 0.00 0.00 0.02 0.00 0.00 55.36 54.55 1mx7 s GLN 97 Cb -0.10 -1.30 0.00 0.00 1.00 0.00 0.00 33.01 32.62 1mx7 s GLN 97 CO 0.01 0.32 0.00 1.63 -2.12 0.00 0.00 175.29 175.13 1mx7 n LYS 98 N 1.69 0.00 0.00 2.91 4.76 -1.26 -4.78 118.16 121.48 1mx7 n LYS 98 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 1mx7 n LYS 98 Cb 0.54 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.73 1mx7 n LYS 98 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1mx7 n GLY 99 N 3.69 -0.08 0.04 0.72 0.00 -1.26 -4.85 105.19 103.46 1mx7 n GLY 99 Ca 0.00 -0.67 -0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.74 0.09 0.00 1.61 4.07 -1.26 -4.96 120.64 119.45 1mx7 n GLU 100 Ca 0.00 -0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 1mx7 n GLU 100 Cb 0.00 -0.01 0.00 0.00 -0.06 0.00 0.00 31.44 31.37 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 -1.03 0.00 -0.41 5.31 5.02 -1.26 -4.73 118.16 121.06 1mx7 n LYS 101 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1mx7 n LYS 101 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.02 1mx7 n LYS 101 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1mx7 n GLU 102 N 0.00 0.00 -0.92 1.97 -0.58 -1.26 -4.97 120.64 114.88 1mx7 n GLU 102 Ca 0.00 -0.60 -0.04 0.00 -0.42 0.00 0.00 57.16 56.10 1mx7 n GLU 102 Cb 0.00 -0.33 -0.04 0.00 -0.57 0.00 0.00 31.44 30.50 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 0.00 0.68 3.62 0.62 0.00 -1.26 -4.77 105.19 104.08 1mx7 n GLY 103 Ca 0.00 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1mx7 n GLY 103 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mx7 s ARG 104 N 0.00 4.02 0.00 1.61 0.52 -1.26 -2.55 118.95 121.29 1mx7 s ARG 104 Ca 0.04 0.68 0.00 0.00 -0.52 0.00 0.00 55.73 55.93 1mx7 s ARG 104 Cb 0.05 -3.71 0.00 0.00 0.52 0.00 0.00 34.95 31.81 1mx7 s ARG 104 CO -0.02 -0.65 0.00 0.41 0.02 0.00 0.00 175.30 175.06 1mx7 n GLY 105 N 4.09 3.08 3.63 -3.53 0.00 -1.03 -3.51 105.19 107.93 1mx7 n GLY 105 Ca 0.04 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 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 2.63 -0.05 1.61 0.51 -1.17 -1.88 118.94 118.59 1mx7 s TRP 106 Ca 0.00 -0.28 -0.02 0.00 -2.12 0.00 0.00 56.10 53.68 1mx7 s TRP 106 Cb 0.00 -1.26 0.03 0.00 -0.81 0.00 0.00 33.47 31.43 1mx7 s TRP 106 CO 0.00 0.58 0.10 0.99 -0.51 0.00 0.00 176.95 178.11 1mx7 s THR 107 N -2.39 -0.05 -0.09 2.01 2.01 -0.68 -3.27 115.64 113.19 1mx7 s THR 107 Ca 0.32 0.17 0.04 0.00 0.31 0.00 0.00 61.69 62.54 1mx7 s THR 107 Cb -0.05 -0.18 -0.00 0.00 0.01 0.00 0.00 72.50 72.28 1mx7 s THR 107 CO 0.20 0.07 -0.23 -1.10 -0.69 0.00 0.00 174.62 172.87 1mx7 s GLN 108 N 1.01 2.94 -0.14 4.92 -0.21 -1.09 -0.10 119.66 126.99 1mx7 s GLN 108 Ca -0.08 -0.86 -0.03 0.00 0.02 0.00 0.00 55.36 54.41 1mx7 s GLN 108 Cb -0.11 -2.30 0.05 0.00 1.00 0.00 0.00 33.01 31.65 1mx7 s GLN 108 CO -0.04 0.24 0.05 -0.46 -2.12 0.00 0.00 175.29 172.96 1mx7 s TRP 109 N 0.19 0.51 0.25 0.91 -0.00 -1.13 -3.10 118.94 116.57 1mx7 s TRP 109 Ca -0.14 -0.35 -0.17 0.00 -0.00 0.00 0.00 56.10 55.44 1mx7 s TRP 109 Cb -0.17 -0.78 -0.08 0.00 -0.00 0.00 0.00 33.47 32.44 1mx7 s TRP 109 CO 0.07 -0.45 0.71 0.42 -0.00 0.00 0.00 176.95 177.70 1mx7 s ILE 110 N 2.03 4.64 -0.15 5.86 1.01 -1.26 -1.76 121.20 131.56 1mx7 s ILE 110 Ca 0.02 1.12 -0.07 0.00 0.00 0.00 0.00 60.65 61.71 1mx7 s ILE 110 Cb -0.15 -3.76 0.06 0.00 0.01 0.00 0.00 42.46 38.62 1mx7 s ILE 110 CO -0.07 0.08 0.36 -0.70 0.00 0.00 0.00 174.94 174.61 1mx7 s GLU 111 N -2.31 0.31 2.64 2.79 2.12 -0.20 -4.96 118.70 119.09 1mx7 s GLU 111 Ca 0.46 0.76 0.00 0.00 0.36 0.00 0.00 54.97 56.55 1mx7 s GLU 111 Cb -0.14 0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.25 1mx7 s GLU 111 CO 0.20 -0.19 0.00 0.41 -0.54 0.00 0.00 175.26 175.14 1mx7 n GLY 112 N 4.54 2.91 1.92 -1.50 0.00 -1.26 -0.51 105.19 111.28 1mx7 n GLY 112 Ca -0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 1mx7 n GLY 112 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mx7 n ASP 113 N 2.47 3.68 -3.98 1.61 2.03 -1.26 -4.94 116.55 116.16 1mx7 n ASP 113 Ca 0.00 -3.20 -0.09 0.00 0.52 0.00 0.00 54.79 52.02 1mx7 n ASP 113 Cb 0.00 -0.75 -0.11 0.00 -0.72 0.00 0.00 41.12 39.54 1mx7 n ASP 113 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1mx7 s GLU 114 N -2.54 0.39 -0.15 -0.67 1.03 0.33 -3.03 118.70 114.05 1mx7 s GLU 114 Ca 0.44 -0.69 -0.03 0.00 0.03 0.00 0.00 54.97 54.72 1mx7 s GLU 114 Cb 0.37 0.14 -0.03 0.00 -0.80 0.00 0.00 34.13 33.81 1mx7 s GLU 114 CO 0.09 -0.07 -0.04 -1.17 -1.33 0.00 0.00 175.26 172.74 1mx7 s LEU 115 N -1.71 3.26 -0.45 1.83 2.96 -1.25 -1.04 118.68 122.29 1mx7 s LEU 115 Ca -0.12 -0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 53.64 1mx7 s LEU 115 Cb -0.07 -1.78 0.12 0.00 0.50 0.00 0.00 46.19 44.96 1mx7 s LEU 115 CO -0.02 0.19 0.27 -1.00 -1.32 0.00 0.00 176.35 174.46 1mx7 s HIS 116 N 0.26 3.54 -0.19 5.38 3.76 -0.72 -2.16 115.29 125.15 1mx7 s HIS 116 Ca -0.03 -2.34 -0.29 0.00 -0.15 0.00 0.00 55.06 52.26 1mx7 s HIS 116 Cb -0.14 -3.29 0.00 0.00 1.11 0.00 0.00 32.58 30.26 1mx7 s HIS 116 CO 0.03 -0.96 1.01 -1.17 -0.85 0.00 0.00 174.74 172.79 1mx7 s LEU 117 N 1.03 4.15 -0.67 0.89 2.96 0.18 -2.84 118.68 124.39 1mx7 s LEU 117 Ca 0.09 1.40 -0.02 0.00 -0.22 0.00 0.00 54.13 55.38 1mx7 s LEU 117 Cb -0.23 -3.51 0.17 0.00 0.50 0.00 0.00 46.19 43.12 1mx7 s LEU 117 CO -0.03 -0.58 0.48 -1.61 -1.32 0.00 0.00 176.35 173.29 1mx7 s GLU 118 N 2.75 2.62 0.37 1.98 2.02 0.86 0.13 118.70 129.43 1mx7 s GLU 118 Ca 0.45 -2.72 -0.17 0.00 0.02 0.00 0.00 54.97 52.55 1mx7 s GLU 118 Cb -0.16 -3.71 -0.10 0.00 0.10 0.00 0.00 34.13 30.26 1mx7 s GLU 118 CO 0.10 -1.19 0.82 1.41 0.02 0.00 0.00 175.26 176.42 1mx7 s MET 119 N -0.39 4.09 -0.07 1.61 1.75 0.36 -1.68 119.30 124.98 1mx7 s MET 119 Ca 0.19 0.85 -0.05 0.00 -1.25 0.00 0.00 55.69 55.43 1mx7 s MET 119 Cb -0.18 -2.33 0.02 0.00 2.84 0.00 0.00 34.83 35.18 1mx7 s MET 119 CO -0.05 0.08 0.17 1.03 -0.65 0.00 0.00 175.02 175.60 1mx7 s ARG 120 N -3.06 0.18 -0.15 4.11 0.52 -0.79 -0.96 118.95 118.81 1mx7 s ARG 120 Ca 0.57 0.28 -0.10 0.00 -0.52 0.00 0.00 55.73 55.96 1mx7 s ARG 120 Cb -0.10 0.03 0.05 0.00 0.52 0.00 0.00 34.95 35.45 1mx7 s ARG 120 CO 0.16 -0.06 0.37 0.00 0.02 0.00 0.00 175.30 175.78 1mx7 s ALA 121 N 0.36 -0.91 -1.71 2.13 0.00 -0.86 -2.47 121.76 118.30 1mx7 s ALA 121 Ca -0.02 1.26 -0.12 0.00 0.00 0.00 0.00 51.96 53.07 1mx7 s ALA 121 Cb -0.04 -0.76 0.12 0.00 0.00 0.00 0.00 23.12 22.45 1mx7 s ALA 121 CO -0.02 -0.22 0.34 -1.91 0.00 0.00 0.00 175.76 173.96 1mx7 n GLU 122 N 3.76 -1.06 0.00 0.00 2.13 -1.22 -0.42 120.64 123.83 1mx7 n GLU 122 Ca -0.20 0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.76 1mx7 n GLU 122 Cb 0.56 -4.24 0.00 0.00 0.27 0.00 0.00 31.44 28.02 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 -1.78 1.62 3.90 8.31 0.00 -1.26 -4.94 105.19 111.04 1mx7 n GLY 123 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.36 4.95 -0.35 1.61 1.01 0.45 -5.07 120.40 120.64 1mx7 s VAL 124 Ca 0.00 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.23 1mx7 s VAL 124 Cb 0.00 -3.73 0.14 0.00 0.00 0.00 0.00 36.38 32.79 1mx7 s VAL 124 CO 0.00 -0.39 0.29 -0.89 0.00 0.00 0.00 175.10 174.11 1mx7 s THR 125 N -2.18 -0.16 0.32 3.92 2.01 -1.26 -2.03 115.64 116.25 1mx7 s THR 125 Ca 0.46 -1.14 -0.26 0.00 0.31 0.00 0.00 61.69 61.06 1mx7 s THR 125 Cb -0.11 -0.89 -0.10 0.00 0.01 0.00 0.00 72.50 71.42 1mx7 s THR 125 CO 0.30 -0.72 0.95 0.00 -0.69 0.00 0.00 174.62 174.46 1mx7 s LYS 127 N -2.02 0.79 0.35 0.00 1.02 -1.26 -0.49 119.74 118.13 1mx7 s LYS 127 Ca 0.50 -1.08 -0.05 0.00 0.02 0.00 0.00 55.97 55.36 1mx7 s LYS 127 Cb -0.19 -2.09 -0.05 0.00 -0.52 0.00 0.00 37.83 34.98 1mx7 s LYS 127 CO 0.24 -0.95 0.63 -1.14 -0.92 0.00 0.00 175.35 173.21 1mx7 s GLN 128 N 1.58 3.62 -0.06 1.68 0.74 0.35 -3.85 119.66 123.72 1mx7 s GLN 128 Ca 0.09 0.06 -0.04 0.00 0.05 0.00 0.00 55.36 55.51 1mx7 s GLN 128 Cb -0.17 -2.56 0.02 0.00 1.10 0.00 0.00 33.01 31.39 1mx7 s GLN 128 CO -0.22 0.09 0.14 0.54 -0.55 0.00 0.00 175.29 175.29 1mx7 s VAL 129 N -2.28 -0.01 0.00 1.34 0.11 -1.15 0.47 120.40 118.87 1mx7 s VAL 129 Ca 0.45 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.55 1mx7 s VAL 129 Cb -0.10 -0.21 0.00 0.00 -1.53 0.00 0.00 36.38 34.54 1mx7 s VAL 129 CO 0.34 0.02 0.00 2.22 -3.33 0.00 0.00 175.10 174.35 1mx7 n PHE 130 N 3.33 0.00 -3.75 1.54 -1.74 -0.92 -1.38 117.46 114.55 1mx7 n PHE 130 Ca -0.16 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.59 1mx7 n PHE 130 Cb 0.57 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.42 1mx7 n PHE 130 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 1mx7 s LYS 131 N -1.99 0.07 -0.46 3.97 2.47 -0.73 -3.75 119.74 119.30 1mx7 s LYS 131 Ca 0.00 0.36 -0.28 0.00 -1.56 0.00 0.00 55.97 54.49 1mx7 s LYS 131 Cb 0.00 -0.20 0.03 0.00 -1.46 0.00 0.00 37.83 36.20 1mx7 s LYS 131 CO 0.00 -0.18 1.07 0.15 0.16 0.00 0.00 175.35 176.56 1mx7 s LYS 132 N 1.23 3.70 0.00 4.03 1.02 -1.17 -1.75 119.74 126.79 1mx7 s LYS 132 Ca -0.08 0.49 0.27 0.00 0.02 0.00 0.00 55.97 56.66 1mx7 s LYS 132 Cb -0.12 -3.90 0.81 0.00 -0.52 0.00 0.00 37.83 34.10 1mx7 s LYS 132 CO -0.06 -1.30 1.61 0.28 -0.92 0.00 0.00 175.35 174.96 1mx7 n VAL 133 N 6.66 0.00 -0.20 3.17 0.31 0.27 -4.94 118.33 123.60 1mx7 n VAL 133 Ca 0.10 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1mx7 n VAL 133 Cb 0.49 0.74 0.00 0.00 -0.91 0.00 0.00 33.84 34.16 1mx7 n VAL 133 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92