#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 1.06 -1.58 -1.45 3.14 -1.26 -4.81 118.33 113.44 1mx7 n VAL 2 Ca 0.00 0.48 -0.54 0.00 -2.96 0.00 0.00 64.34 61.32 1mx7 n VAL 2 Cb 0.00 -1.43 -0.06 0.00 -1.06 0.00 0.00 33.84 31.28 1mx7 n VAL 2 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1mx7 n ASP 3 N -2.11 1.39 -0.02 6.55 8.00 -1.26 -4.89 116.55 124.22 1mx7 n ASP 3 Ca 0.00 1.12 0.12 0.00 0.71 0.00 0.00 54.79 56.75 1mx7 n ASP 3 Cb 0.12 -1.14 0.25 0.00 -0.02 0.00 0.00 41.12 40.33 1mx7 n ASP 3 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1mx7 n PHE 4 N 2.49 0.00 -1.42 1.24 3.72 -1.26 -4.99 117.46 117.23 1mx7 n PHE 4 Ca 0.19 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.15 1mx7 n PHE 4 Cb 0.17 -0.24 -0.01 0.00 -0.94 0.00 0.00 39.48 38.46 1mx7 n PHE 4 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1mx7 n ASN 5 N -1.44 -1.21 -2.60 4.37 3.02 -1.26 -4.73 115.26 111.41 1mx7 n ASN 5 Ca 0.06 0.97 -0.12 0.00 -0.03 0.00 0.00 54.58 55.46 1mx7 n ASN 5 Cb 0.34 -1.04 -0.03 0.00 -0.61 0.00 0.00 39.78 38.44 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 1.91 2.53 2.70 7.41 0.00 -0.97 -4.06 105.19 114.71 1mx7 n GLY 6 Ca 0.13 -1.63 -0.05 0.00 0.00 0.00 0.00 46.02 44.47 1mx7 n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1mx7 n TYR 7 N -0.46 -0.83 -0.88 1.61 4.01 -1.26 -4.24 117.16 115.10 1mx7 n TYR 7 Ca 0.02 -2.15 -0.34 0.00 -0.16 0.00 0.00 57.90 55.26 1mx7 n TYR 7 Cb 0.46 0.78 0.03 0.00 -0.31 0.00 0.00 39.34 40.29 1mx7 n TYR 7 CO 0.00 0.00 0.00 -2.67 -0.46 0.00 0.00 176.86 173.73 1mx7 n TRP 8 N -0.65 -1.26 -3.57 -0.72 4.27 -1.26 -4.01 117.44 110.23 1mx7 n TRP 8 Ca -0.01 0.57 -0.17 0.00 -3.89 0.00 0.00 57.50 54.01 1mx7 n TRP 8 Cb 0.84 -1.22 -0.06 0.00 -1.36 0.00 0.00 31.31 29.51 1mx7 n TRP 8 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 1mx7 s LYS 9 N -1.76 0.98 0.39 -2.67 2.20 0.22 -4.69 119.74 114.41 1mx7 s LYS 9 Ca 0.32 0.12 0.08 0.00 -0.36 0.00 0.00 55.97 56.12 1mx7 s LYS 9 Cb 0.09 0.46 -0.02 0.00 -1.51 0.00 0.00 37.83 36.84 1mx7 s LYS 9 CO 0.59 -0.31 0.36 0.00 -0.36 0.00 0.00 175.35 175.63 1mx7 s MET 10 N -1.35 2.60 0.27 4.03 0.23 -1.26 0.12 119.30 123.95 1mx7 s MET 10 Ca -0.11 -1.45 0.00 0.00 -1.03 0.00 0.00 55.69 53.10 1mx7 s MET 10 Cb -0.01 -2.42 0.00 0.00 -1.53 0.00 0.00 34.83 30.87 1mx7 s MET 10 CO 0.08 -0.10 0.00 -0.11 -2.03 0.00 0.00 175.02 172.85 1mx7 n LEU 11 N -1.50 -0.01 -3.83 0.18 0.00 -0.93 -4.59 117.00 106.31 1mx7 n LEU 11 Ca 0.02 0.46 -0.07 0.00 0.00 0.00 0.00 56.01 56.42 1mx7 n LEU 11 Cb 0.61 0.32 -0.00 0.00 0.00 0.00 0.00 43.42 44.35 1mx7 n LEU 11 CO 0.42 -0.79 0.56 -0.94 0.00 0.00 0.00 177.39 176.65 1mx7 s SER 12 N -5.13 -0.14 0.23 1.96 1.04 -1.17 -5.02 113.70 105.47 1mx7 s SER 12 Ca 0.00 -0.76 0.08 0.00 0.48 0.00 0.00 55.95 55.75 1mx7 s SER 12 Cb 0.00 0.71 -0.05 0.00 0.10 0.00 0.00 66.02 66.78 1mx7 s SER 12 CO 0.00 -1.36 -0.12 0.54 0.98 0.00 0.00 173.24 173.28 1mx7 s ASN 13 N -3.02 2.65 -0.13 7.02 4.22 -1.26 -0.19 114.94 124.23 1mx7 s ASN 13 Ca 0.14 -1.07 -0.09 0.00 -2.14 0.00 0.00 52.86 49.70 1mx7 s ASN 13 Cb -0.05 -0.15 0.04 0.00 1.28 0.00 0.00 41.25 42.38 1mx7 s ASN 13 CO 0.08 -0.21 0.33 -0.70 -2.04 0.00 0.00 177.10 174.55 1mx7 s GLU 14 N -3.67 0.34 -1.77 3.55 2.56 -0.28 -4.89 118.70 114.54 1mx7 s GLU 14 Ca 0.25 0.56 0.00 0.00 0.00 0.00 0.00 54.97 55.78 1mx7 s GLU 14 Cb 0.00 0.05 0.00 0.00 2.00 0.00 0.00 34.13 36.18 1mx7 s GLU 14 CO 0.08 -0.11 0.00 0.09 -0.56 0.00 0.00 175.26 174.77 1mx7 n ASN 15 N 3.60 -5.59 0.20 -1.70 4.13 -1.26 -1.82 115.26 112.82 1mx7 n ASN 15 Ca -0.19 0.09 0.05 0.00 1.68 0.00 0.00 54.58 56.21 1mx7 n ASN 15 Cb 0.56 -4.67 0.40 0.00 -1.54 0.00 0.00 39.78 34.53 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 0.00 0.00 0.00 3.10 3.57 -1.90 -2.76 116.94 118.95 1mx7 h PHE 16 Ca -0.45 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 60.89 1mx7 h PHE 16 Cb 1.33 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.05 1mx7 h PHE 16 CO 0.53 0.35 -0.75 0.93 -2.23 0.00 0.00 178.31 177.14 1mx7 h GLU 17 N 0.00 0.00 0.00 1.11 5.08 -1.94 -2.99 114.58 115.84 1mx7 h GLU 17 Ca -0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1mx7 h GLU 17 Cb 0.73 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1mx7 h GLU 17 CO 0.05 0.75 -0.79 0.93 -1.00 0.00 0.00 179.01 178.95 1mx7 h GLU 18 N 0.00 0.00 -0.40 2.33 3.07 -1.93 -2.61 114.58 115.04 1mx7 h GLU 18 Ca -0.01 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.79 1mx7 h GLU 18 Cb 1.41 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.31 1mx7 h GLU 18 CO 0.10 0.79 0.02 -0.92 -1.40 0.00 0.00 179.01 177.60 1mx7 h TYR 19 N 0.00 0.75 0.00 4.33 3.20 -1.45 -1.05 116.97 122.75 1mx7 h TYR 19 Ca -0.01 -0.12 -0.06 0.00 3.14 0.00 0.00 58.73 61.68 1mx7 h TYR 19 Cb 1.58 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.64 1mx7 h TYR 19 CO 0.00 0.76 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.94 1mx7 h LEU 20 N 0.53 0.00 -0.01 2.82 3.38 -1.56 -3.05 115.31 117.42 1mx7 h LEU 20 Ca 0.12 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 1mx7 h LEU 20 Cb 0.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1mx7 h LEU 20 CO 0.02 0.27 -0.60 0.03 0.09 0.00 0.00 178.44 178.25 1mx7 h ARG 21 N 0.00 0.00 0.00 1.13 2.47 -1.28 -2.24 114.38 114.46 1mx7 h ARG 21 Ca -0.00 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.64 1mx7 h ARG 21 Cb 1.05 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.36 1mx7 h ARG 21 CO 0.04 0.60 -0.38 0.00 0.56 0.00 0.00 179.97 180.78 1mx7 h ALA 22 N 1.40 1.14 -0.24 0.04 0.00 -1.08 -2.84 119.26 117.69 1mx7 h ALA 22 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1mx7 h ALA 22 Cb 1.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1mx7 h ALA 22 CO 0.08 0.47 0.00 1.28 0.00 0.00 0.00 179.25 181.08 1mx7 n LEU 23 N -3.75 2.64 -3.62 0.00 4.32 -1.22 -4.77 117.00 110.60 1mx7 n LEU 23 Ca -0.01 -1.96 -0.26 0.00 -0.02 0.00 0.00 56.01 53.75 1mx7 n LEU 23 Cb 0.46 -0.16 0.01 0.00 -1.62 0.00 0.00 43.42 42.11 1mx7 n LEU 23 CO 0.37 0.66 -0.24 -0.90 -1.22 0.00 0.00 177.39 176.06 1mx7 n ASP 24 N 0.24 -4.54 -4.95 -1.43 5.75 -0.89 -4.98 116.55 105.76 1mx7 n ASP 24 Ca 0.08 -0.75 -0.24 0.00 -0.01 0.00 0.00 54.79 53.88 1mx7 n ASP 24 Cb 0.37 -1.46 0.06 0.00 -1.03 0.00 0.00 41.12 39.05 1mx7 n ASP 24 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1mx7 s VAL 25 N -2.57 2.44 0.69 2.12 -7.23 -0.90 -5.02 120.40 109.94 1mx7 s VAL 25 Ca 0.08 -0.44 -0.16 0.00 -1.81 0.00 0.00 61.98 59.64 1mx7 s VAL 25 Cb -0.01 -3.00 -0.02 0.00 0.56 0.00 0.00 36.38 33.91 1mx7 s VAL 25 CO 0.82 0.00 0.79 0.59 -0.31 0.00 0.00 175.10 176.99 1mx7 n ASN 26 N -2.68 -0.14 0.23 4.85 4.13 -1.26 -4.89 115.26 115.50 1mx7 n ASN 26 Ca 0.08 0.67 0.11 0.00 1.68 0.00 0.00 54.58 57.12 1mx7 n ASN 26 Cb 0.60 -1.32 0.49 0.00 -1.54 0.00 0.00 39.78 38.00 1mx7 n ASN 26 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 1mx7 h VAL 27 N -0.16 0.44 0.05 2.41 3.04 -2.00 -3.06 116.25 116.98 1mx7 h VAL 27 Ca -0.47 -1.02 -0.23 0.00 -1.01 0.00 0.00 66.70 63.97 1mx7 h VAL 27 Cb 1.35 1.73 -0.02 0.00 -2.01 0.00 0.00 31.29 32.35 1mx7 h VAL 27 CO 0.46 0.18 -1.09 0.00 -1.01 0.00 0.00 177.57 176.11 1mx7 h ALA 28 N 1.82 0.26 -0.17 3.17 0.00 -2.02 -3.35 119.26 118.97 1mx7 h ALA 28 Ca -0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 54.91 53.92 1mx7 h ALA 28 Cb 0.72 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1mx7 h ALA 28 CO 0.02 1.13 -0.26 1.25 0.00 0.00 0.00 179.25 181.39 1mx7 h LEU 29 N 0.03 0.53 -1.33 0.00 5.85 -1.90 -3.13 115.31 115.36 1mx7 h LEU 29 Ca -0.06 -0.52 0.08 0.00 0.84 0.00 0.00 57.88 58.22 1mx7 h LEU 29 Cb 1.84 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.66 1mx7 h LEU 29 CO 0.16 0.95 0.51 -0.09 -0.34 0.00 0.00 178.44 179.63 1mx7 h ARG 30 N 0.12 0.75 -0.02 1.25 2.43 -1.69 0.33 114.38 117.57 1mx7 h ARG 30 Ca 0.02 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 58.96 1mx7 h ARG 30 Cb 0.83 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1mx7 h ARG 30 CO 0.06 0.50 -0.79 -0.22 -1.51 0.00 0.00 179.97 178.00 1mx7 h LYS 31 N 0.78 0.20 0.09 0.20 3.64 -1.69 -2.06 116.57 117.72 1mx7 h LYS 31 Ca 0.35 -0.19 -0.26 0.00 -1.27 0.00 0.00 60.65 59.27 1mx7 h LYS 31 Cb 0.34 0.05 0.03 0.00 -0.41 0.00 0.00 32.23 32.24 1mx7 h LYS 31 CO -0.13 0.89 -1.08 0.82 -2.27 0.00 0.00 179.45 177.68 1mx7 h ILE 32 N 0.12 1.32 -0.00 2.00 1.08 -1.30 -3.22 117.51 117.51 1mx7 h ILE 32 Ca -0.03 -2.37 0.00 0.00 -0.39 0.00 0.00 64.86 62.06 1mx7 h ILE 32 Cb 1.39 2.67 0.00 0.00 -3.07 0.00 0.00 36.82 37.81 1mx7 h ILE 32 CO 0.12 0.72 -0.01 0.00 -0.69 0.00 0.00 178.15 178.29 1mx7 n ALA 33 N -2.66 2.49 -0.05 1.87 0.00 0.11 -3.59 120.51 118.68 1mx7 n ALA 33 Ca -0.13 -0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.07 1mx7 n ALA 33 Cb 0.91 -1.48 -0.15 0.00 0.00 0.00 0.00 19.45 18.74 1mx7 n ALA 33 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1mx7 n ASN 34 N -1.30 0.64 0.03 0.00 5.15 -0.78 -4.29 115.26 114.73 1mx7 n ASN 34 Ca 0.13 0.27 0.11 0.00 -0.60 0.00 0.00 54.58 54.50 1mx7 n ASN 34 Cb 0.26 0.25 0.08 0.00 -0.53 0.00 0.00 39.78 39.84 1mx7 n ASN 34 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mx7 n LEU 35 N -2.97 0.63 -4.65 1.20 -0.00 -1.22 -4.83 117.00 105.16 1mx7 n LEU 35 Ca -0.23 0.03 -0.43 0.00 -0.00 0.00 0.00 56.01 55.39 1mx7 n LEU 35 Cb 1.09 -0.13 -0.02 0.00 -0.00 0.00 0.00 43.42 44.35 1mx7 n LEU 35 CO 0.44 0.03 0.92 -0.22 -0.00 0.00 0.00 177.39 178.56 1mx7 s LEU 36 N -3.88 4.02 -0.15 1.47 0.20 -1.24 -5.04 118.68 114.07 1mx7 s LEU 36 Ca 0.05 1.19 -0.07 0.00 0.69 0.00 0.00 54.13 55.99 1mx7 s LEU 36 Cb 0.14 -3.51 -0.04 0.00 -0.43 0.00 0.00 46.19 42.35 1mx7 s LEU 36 CO 0.77 -0.76 0.10 -1.59 -0.29 0.00 0.00 176.35 174.59 1mx7 s LYS 37 N 3.39 3.65 0.77 1.98 -2.85 -1.26 -4.95 119.74 120.46 1mx7 s LYS 37 Ca 0.44 -0.23 -0.02 0.00 -1.00 0.00 0.00 55.97 55.15 1mx7 s LYS 37 Cb -0.14 -3.19 0.15 0.00 -2.06 0.00 0.00 37.83 32.59 1mx7 s LYS 37 CO 0.11 0.56 1.06 -2.14 0.10 0.00 0.00 175.35 175.03 1mx7 s PRO 38 N -0.42 1.42 -0.08 1.78 0.02 -1.26 -5.00 135.00 131.46 1mx7 s PRO 38 Ca 0.11 -1.12 -0.13 0.00 0.02 0.00 0.00 61.00 59.88 1mx7 s PRO 38 Cb -0.12 -2.26 0.03 0.00 0.02 0.00 0.00 34.50 32.17 1mx7 s PRO 38 CO 0.02 -1.66 0.32 0.16 -0.33 0.00 0.00 177.00 175.51 1mx7 s ASP 39 N -4.81 -0.29 0.00 2.53 -4.77 -1.26 -4.39 116.67 103.69 1mx7 s ASP 39 Ca 0.69 0.45 0.00 0.00 -3.30 0.00 0.00 52.55 50.38 1mx7 s ASP 39 Cb -0.04 0.54 0.00 0.00 -1.09 0.00 0.00 42.92 42.33 1mx7 s ASP 39 CO 0.46 -0.24 0.00 1.17 0.70 0.00 0.00 175.17 177.26 1mx7 n LYS 40 N 2.27 3.37 0.00 2.11 3.00 -1.26 -3.29 118.16 124.36 1mx7 n LYS 40 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 1mx7 n LYS 40 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.60 1mx7 n LYS 40 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1mx7 n GLU 41 N 0.00 0.00 -4.70 1.64 0.00 -1.26 -4.43 120.64 111.89 1mx7 n GLU 41 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.88 1mx7 n GLU 41 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 31.44 31.30 1mx7 n GLU 41 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1mx7 s ILE 42 N 0.00 1.98 -0.29 6.31 -1.09 -1.26 -2.37 121.20 124.48 1mx7 s ILE 42 Ca 0.00 -1.40 -0.00 0.00 -2.23 0.00 0.00 60.65 57.02 1mx7 s ILE 42 Cb 0.00 -1.71 0.14 0.00 -1.58 0.00 0.00 42.46 39.30 1mx7 s ILE 42 CO 0.00 0.24 0.30 -0.69 -1.23 0.00 0.00 174.94 173.56 1mx7 s VAL 43 N -0.87 -0.42 -0.25 2.92 1.01 -0.55 -2.29 120.40 119.96 1mx7 s VAL 43 Ca 0.10 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 1mx7 s VAL 43 Cb -0.10 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.31 1mx7 s VAL 43 CO 0.03 -0.45 -0.01 -1.58 0.00 0.00 0.00 175.10 173.09 1mx7 s GLN 44 N 2.37 3.11 -0.14 2.72 -0.44 -1.26 -1.28 119.66 124.75 1mx7 s GLN 44 Ca 0.09 -0.81 0.02 0.00 -2.50 0.00 0.00 55.36 52.16 1mx7 s GLN 44 Cb -0.14 -3.10 0.01 0.00 -1.64 0.00 0.00 33.01 28.13 1mx7 s GLN 44 CO -0.32 -0.34 -0.20 0.34 0.50 0.00 0.00 175.29 175.27 1mx7 s ASP 45 N 1.43 3.28 1.93 6.67 2.15 -0.98 -4.87 116.67 126.29 1mx7 s ASP 45 Ca 0.03 -0.56 0.00 0.00 0.43 0.00 0.00 52.55 52.45 1mx7 s ASP 45 Cb -0.16 -1.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.98 1mx7 s ASP 45 CO -0.02 0.09 0.00 0.61 -0.17 0.00 0.00 175.17 175.68 1mx7 n GLY 46 N 4.00 2.89 0.01 2.66 0.00 -1.26 -2.26 105.19 111.22 1mx7 n GLY 46 Ca -0.20 0.23 0.03 0.00 0.00 0.00 0.00 46.02 46.09 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 10.35 3.15 -4.65 1.61 8.00 -1.26 -4.95 116.55 128.80 1mx7 n ASP 47 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1mx7 n ASP 47 Cb 0.00 1.31 -0.03 0.00 -0.02 0.00 0.00 41.12 42.38 1mx7 n ASP 47 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1mx7 s HIS 48 N -2.53 3.28 0.16 1.24 3.76 -0.96 -2.99 115.29 117.26 1mx7 s HIS 48 Ca -0.03 1.24 0.04 0.00 -0.15 0.00 0.00 55.06 56.16 1mx7 s HIS 48 Cb 0.05 -3.26 -0.04 0.00 1.11 0.00 0.00 32.58 30.44 1mx7 s HIS 48 CO 0.33 -0.51 0.18 1.41 -0.85 0.00 0.00 174.74 175.30 1mx7 s MET 49 N 3.12 3.04 -0.11 1.40 1.75 -0.98 -2.32 119.30 125.21 1mx7 s MET 49 Ca 0.40 -0.81 -0.04 0.00 -1.25 0.00 0.00 55.69 53.99 1mx7 s MET 49 Cb -0.15 -2.72 0.05 0.00 2.84 0.00 0.00 34.83 34.86 1mx7 s MET 49 CO 0.09 0.49 0.23 0.42 -0.65 0.00 0.00 175.02 175.59 1mx7 s ILE 50 N -1.77 -0.27 -0.09 10.11 1.01 -0.40 -1.65 121.20 128.13 1mx7 s ILE 50 Ca 0.32 0.27 0.04 0.00 0.00 0.00 0.00 60.65 61.27 1mx7 s ILE 50 Cb -0.10 -0.38 -0.00 0.00 0.01 0.00 0.00 42.46 41.99 1mx7 s ILE 50 CO 0.25 0.11 -0.23 -0.63 0.00 0.00 0.00 174.94 174.44 1mx7 s ILE 51 N 2.06 2.19 -0.35 2.92 1.09 -0.92 -1.48 121.20 126.71 1mx7 s ILE 51 Ca -0.01 -0.99 0.03 0.00 -1.10 0.00 0.00 60.65 58.58 1mx7 s ILE 51 Cb -0.12 -1.83 0.10 0.00 -1.06 0.00 0.00 42.46 39.55 1mx7 s ILE 51 CO -0.08 0.56 0.09 0.00 -0.10 0.00 0.00 174.94 175.41 1mx7 s ARG 52 N 0.20 1.36 0.29 2.79 1.70 -1.00 -2.46 118.95 121.84 1mx7 s ARG 52 Ca -0.14 -1.79 -0.29 0.00 -0.47 0.00 0.00 55.73 53.04 1mx7 s ARG 52 Cb -0.17 -2.93 -0.10 0.00 -0.57 0.00 0.00 34.95 31.18 1mx7 s ARG 52 CO 0.07 -0.97 1.16 0.99 -1.08 0.00 0.00 175.30 175.46 1mx7 s THR 53 N 0.91 3.28 -0.65 4.99 2.01 -1.26 -4.03 115.64 120.89 1mx7 s THR 53 Ca 0.12 1.29 0.03 0.00 0.31 0.00 0.00 61.69 63.43 1mx7 s THR 53 Cb -0.20 -3.82 0.37 0.00 0.01 0.00 0.00 72.50 68.86 1mx7 s THR 53 CO -0.10 0.31 1.34 0.18 -0.69 0.00 0.00 174.62 175.66 1mx7 n LEU 54 N 1.12 5.59 -4.73 4.42 4.77 -1.21 -4.61 117.00 122.35 1mx7 n LEU 54 Ca -0.01 -5.33 -0.37 0.00 -0.03 0.00 0.00 56.01 50.27 1mx7 n LEU 54 Cb 0.44 -0.72 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 1mx7 n LEU 54 CO 0.55 2.16 0.10 -0.44 -1.33 0.00 0.00 177.39 178.44 1mx7 s SER 55 N -2.72 6.62 0.19 -1.43 0.01 -1.26 -4.71 113.70 110.39 1mx7 s SER 55 Ca 0.48 0.73 0.21 0.00 1.31 0.00 0.00 55.95 58.67 1mx7 s SER 55 Cb 0.34 -2.25 0.88 0.00 0.21 0.00 0.00 66.02 65.19 1mx7 s SER 55 CO -0.21 0.06 1.63 1.07 0.41 0.00 0.00 173.24 176.21 1mx7 n THR 56 N 3.46 0.90 -3.15 1.44 5.66 -1.26 -2.57 114.28 118.76 1mx7 n THR 56 Ca -0.09 0.25 -0.45 0.00 -3.05 0.00 0.00 64.05 60.71 1mx7 n THR 56 Cb 0.52 -1.14 -0.01 0.00 -1.55 0.00 0.00 70.33 68.15 1mx7 n THR 56 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 1mx7 s PHE 57 N -3.24 3.74 -0.44 1.09 5.36 -1.26 -4.70 117.98 118.54 1mx7 s PHE 57 Ca 0.05 -2.15 -0.27 0.00 -0.96 0.00 0.00 56.93 53.60 1mx7 s PHE 57 Cb 0.09 -4.05 0.04 0.00 -0.34 0.00 0.00 43.02 38.76 1mx7 s PHE 57 CO 0.35 -1.18 0.62 2.89 -1.46 0.00 0.00 175.22 176.44 1mx7 n ARG 58 N 4.50 -2.18 -2.16 10.12 1.85 -1.25 -4.82 116.66 122.72 1mx7 n ARG 58 Ca 0.25 1.81 -0.30 0.00 -1.00 0.00 0.00 57.85 58.61 1mx7 n ARG 58 Cb 0.44 -4.01 -0.05 0.00 -1.05 0.00 0.00 32.46 27.79 1mx7 n ARG 58 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1mx7 s ASN 59 N -2.08 5.43 0.05 2.89 4.22 -1.06 -4.87 114.94 119.52 1mx7 s ASN 59 Ca 0.31 -0.78 -0.30 0.00 -2.14 0.00 0.00 52.86 49.95 1mx7 s ASN 59 Cb -0.06 -2.56 -0.05 0.00 1.28 0.00 0.00 41.25 39.86 1mx7 s ASN 59 CO 0.82 -2.47 1.15 -0.72 -2.04 0.00 0.00 177.10 173.84 1mx7 s TYR 60 N 8.96 3.48 0.32 1.54 -0.85 -1.26 -4.93 117.35 124.61 1mx7 s TYR 60 Ca 0.65 1.38 0.07 0.00 -0.52 0.00 0.00 57.07 58.65 1mx7 s TYR 60 Cb -0.06 -3.36 -0.02 0.00 0.38 0.00 0.00 41.96 38.90 1mx7 s TYR 60 CO -0.01 -1.02 0.33 0.42 -1.52 0.00 0.00 175.55 173.74 1mx7 s ILE 61 N 1.03 3.85 0.01 -3.49 -1.09 -1.26 -4.19 121.20 116.06 1mx7 s ILE 61 Ca 0.57 -1.26 -0.07 0.00 -2.23 0.00 0.00 60.65 57.66 1mx7 s ILE 61 Cb -0.28 -3.30 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 1mx7 s ILE 61 CO 0.29 -0.20 0.14 -0.04 -1.23 0.00 0.00 174.94 173.90 1mx7 s MET 62 N -4.02 0.52 -0.42 2.79 -1.94 -1.03 -5.04 119.30 110.16 1mx7 s MET 62 Ca 0.41 -0.46 0.02 0.00 -1.71 0.00 0.00 55.69 53.94 1mx7 s MET 62 Cb -0.07 0.21 0.14 0.00 2.01 0.00 0.00 34.83 37.12 1mx7 s MET 62 CO 0.28 -0.13 0.25 -0.51 -0.01 0.00 0.00 175.02 174.90 1mx7 s ASP 63 N -1.54 3.26 1.06 3.03 1.01 -1.26 -2.17 116.67 120.06 1mx7 s ASP 63 Ca -0.13 -2.58 -0.18 0.00 0.71 0.00 0.00 52.55 50.37 1mx7 s ASP 63 Cb -0.06 -0.80 0.24 0.00 1.01 0.00 0.00 42.92 43.31 1mx7 s ASP 63 CO 0.00 -0.26 1.25 -0.36 0.21 0.00 0.00 175.17 176.02 1mx7 s PHE 64 N 0.47 1.10 -0.19 4.23 0.08 -0.66 -4.91 117.98 118.10 1mx7 s PHE 64 Ca 0.20 0.35 -0.04 0.00 0.12 0.00 0.00 56.93 57.56 1mx7 s PHE 64 Cb -0.20 -3.91 0.09 0.00 -0.57 0.00 0.00 43.02 38.43 1mx7 s PHE 64 CO -0.02 -3.15 0.28 -0.65 -0.10 0.00 0.00 175.22 171.57 1mx7 s GLN 65 N -5.74 0.21 0.32 0.44 -0.21 -1.26 -2.31 119.66 111.11 1mx7 s GLN 65 Ca 0.74 0.50 -0.29 0.00 0.02 0.00 0.00 55.36 56.33 1mx7 s GLN 65 Cb -0.05 -0.57 -0.11 0.00 1.00 0.00 0.00 33.01 33.28 1mx7 s GLN 65 CO 0.54 -0.50 1.49 0.08 -2.12 0.00 0.00 175.29 174.78 1mx7 s VAL 66 N 2.42 2.23 0.00 1.09 1.01 -1.16 -3.06 120.40 122.93 1mx7 s VAL 66 Ca 0.06 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1mx7 s VAL 66 Cb -0.14 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1mx7 s VAL 66 CO -0.12 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.64 1mx7 n GLY 67 N 1.37 1.64 3.93 4.51 0.00 0.21 -4.97 105.19 111.88 1mx7 n GLY 67 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 3.47 0.75 1.61 1.02 -1.17 -4.80 119.74 120.62 1mx7 s LYS 68 Ca 0.00 -0.16 -0.12 0.00 0.02 0.00 0.00 55.97 55.72 1mx7 s LYS 68 Cb 0.00 -2.55 0.05 0.00 -0.52 0.00 0.00 37.83 34.81 1mx7 s LYS 68 CO 0.00 -0.01 1.10 -1.21 -0.92 0.00 0.00 175.35 174.31 1mx7 s GLU 69 N -4.49 2.30 -0.30 1.68 8.01 -1.26 -3.91 118.70 120.73 1mx7 s GLU 69 Ca 0.43 1.26 -0.08 0.00 0.01 0.00 0.00 54.97 56.58 1mx7 s GLU 69 Cb -0.10 -1.90 0.17 0.00 -4.31 0.00 0.00 34.13 28.00 1mx7 s GLU 69 CO 0.39 -1.62 0.82 0.12 0.01 0.00 0.00 175.26 174.98 1mx7 s PHE 70 N -2.74 -1.07 0.35 1.61 2.19 0.18 -4.93 117.98 113.57 1mx7 s PHE 70 Ca 0.63 1.34 -0.25 0.00 0.33 0.00 0.00 56.93 58.99 1mx7 s PHE 70 Cb -0.18 0.45 -0.10 0.00 -1.31 0.00 0.00 43.02 41.88 1mx7 s PHE 70 CO 0.53 -0.57 0.95 -1.83 1.83 0.00 0.00 175.22 176.13 1mx7 s GLU 71 N 2.82 4.47 -0.17 10.12 -1.05 -1.26 -1.03 118.70 132.60 1mx7 s GLU 71 Ca 0.06 1.29 -0.01 0.00 -0.15 0.00 0.00 54.97 56.16 1mx7 s GLU 71 Cb -0.12 -2.63 -0.10 0.00 -0.44 0.00 0.00 34.13 30.84 1mx7 s GLU 71 CO -0.17 0.18 -0.17 -1.91 0.95 0.00 0.00 175.26 174.14 1mx7 n GLU 72 N 0.23 0.41 -3.32 -4.83 2.13 -1.02 -4.93 120.64 109.31 1mx7 n GLU 72 Ca 0.03 0.11 -0.24 0.00 0.66 0.00 0.00 57.16 57.73 1mx7 n GLU 72 Cb 0.51 -1.29 0.01 0.00 0.27 0.00 0.00 31.44 30.94 1mx7 n GLU 72 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1mx7 n ASP 73 N -3.17 -4.59 -4.63 4.31 2.03 -1.26 -4.80 116.55 104.43 1mx7 n ASP 73 Ca -0.31 -0.40 -0.59 0.00 0.52 0.00 0.00 54.79 54.01 1mx7 n ASP 73 Cb 0.80 -3.75 -0.08 0.00 -0.72 0.00 0.00 41.12 37.38 1mx7 n ASP 73 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1mx7 n LEU 74 N -3.94 2.00 0.00 -2.67 -0.00 -0.40 -4.74 117.00 107.25 1mx7 n LEU 74 Ca -0.04 0.96 0.00 0.00 -0.00 0.00 0.00 56.01 56.93 1mx7 n LEU 74 Cb 0.56 -1.09 0.00 0.00 -0.00 0.00 0.00 43.42 42.89 1mx7 n LEU 74 CO 0.53 -0.57 0.34 0.35 -0.00 0.00 0.00 177.39 178.04 1mx7 n THR 75 N 5.08 0.44 0.06 1.96 -2.24 -1.26 0.15 114.28 118.47 1mx7 n THR 75 Ca 0.32 -0.49 -0.20 0.00 -2.27 0.00 0.00 64.05 61.41 1mx7 n THR 75 Cb 0.09 0.86 -0.14 0.00 -2.10 0.00 0.00 70.33 69.05 1mx7 n THR 75 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1mx7 h GLY 76 N 0.00 0.43 -5.35 3.38 0.00 -1.97 -3.45 103.07 96.13 1mx7 h GLY 76 Ca 0.00 -1.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.13 1mx7 h GLY 76 CO 0.00 0.88 -0.61 -0.26 0.00 0.00 0.00 176.54 176.55 1mx7 s ILE 77 N -2.66 0.02 0.00 2.60 -5.25 -1.26 -4.92 121.20 109.72 1mx7 s ILE 77 Ca -0.13 -0.18 0.00 0.00 -0.99 0.00 0.00 60.65 59.36 1mx7 s ILE 77 Cb 0.02 -0.18 0.00 0.00 2.95 0.00 0.00 42.46 45.25 1mx7 s ILE 77 CO 0.85 -0.10 0.00 0.47 -1.79 0.00 0.00 174.94 174.38 1mx7 n ASP 78 N 2.70 0.00 -0.97 4.36 9.92 -1.26 -4.54 116.55 126.76 1mx7 n ASP 78 Ca -0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.11 1mx7 n ASP 78 Cb 0.58 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.06 1mx7 n ASP 78 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1mx7 n ASP 79 N 2.99 -1.29 -3.67 -2.24 8.00 -1.25 -5.04 116.55 114.05 1mx7 n ASP 79 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 1mx7 n ASP 79 Cb 0.00 -0.65 -0.08 0.00 -0.02 0.00 0.00 41.12 40.37 1mx7 n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mx7 s ARG 80 N -0.72 0.72 0.62 -1.24 1.70 0.12 -4.97 118.95 115.18 1mx7 s ARG 80 Ca 0.00 0.53 0.03 0.00 -0.47 0.00 0.00 55.73 55.83 1mx7 s ARG 80 Cb 0.00 0.35 0.09 0.00 -0.57 0.00 0.00 34.95 34.81 1mx7 s ARG 80 CO 0.00 -0.14 0.86 -1.59 -1.08 0.00 0.00 175.30 173.35 1mx7 s LYS 81 N -0.22 2.12 -0.25 3.89 -2.85 -1.26 -1.27 119.74 119.90 1mx7 s LYS 81 Ca -0.04 -1.21 -0.36 0.00 -1.00 0.00 0.00 55.97 53.35 1mx7 s LYS 81 Cb -0.03 -2.49 0.15 0.00 -2.06 0.00 0.00 37.83 33.40 1mx7 s LYS 81 CO 0.03 -1.04 1.31 0.00 0.10 0.00 0.00 175.35 175.76 1mx7 s MET 83 N -2.04 3.48 -0.14 0.00 0.00 -1.22 -2.42 119.30 116.96 1mx7 s MET 83 Ca 0.10 -0.60 0.02 0.00 0.00 0.00 0.00 55.69 55.21 1mx7 s MET 83 Cb -0.01 -3.43 0.01 0.00 0.00 0.00 0.00 34.83 31.41 1mx7 s MET 83 CO -0.04 -0.30 -0.20 0.99 0.00 0.00 0.00 175.02 175.47 1mx7 s THR 84 N 1.60 1.93 -0.15 10.11 2.01 -0.20 -2.90 115.64 128.03 1mx7 s THR 84 Ca 0.05 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.17 1mx7 s THR 84 Cb -0.16 -1.72 0.02 0.00 0.01 0.00 0.00 72.50 70.65 1mx7 s THR 84 CO 0.05 0.52 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.44 1mx7 s THR 85 N 0.95 1.79 -0.49 -0.82 2.01 -1.02 0.49 115.64 118.54 1mx7 s THR 85 Ca -0.05 -0.78 -0.17 0.00 0.31 0.00 0.00 61.69 61.01 1mx7 s THR 85 Cb -0.15 -1.63 0.07 0.00 0.01 0.00 0.00 72.50 70.80 1mx7 s THR 85 CO -0.04 0.50 0.48 -0.69 -0.69 0.00 0.00 174.62 174.18 1mx7 s VAL 86 N 1.25 5.11 0.49 3.82 1.01 -1.25 -2.73 120.40 128.09 1mx7 s VAL 86 Ca 0.02 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.14 1mx7 s VAL 86 Cb -0.14 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.08 1mx7 s VAL 86 CO -0.09 -0.68 0.34 -1.20 0.00 0.00 0.00 175.10 173.47 1mx7 n SER 87 N 5.55 2.62 -4.47 3.32 7.64 -0.98 0.67 113.62 127.96 1mx7 n SER 87 Ca -0.11 -2.71 -0.33 0.00 1.01 0.00 0.00 58.87 56.73 1mx7 n SER 87 Cb 0.44 -0.01 -0.13 0.00 -1.01 0.00 0.00 64.21 63.50 1mx7 n SER 87 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1mx7 s TRP 88 N -2.45 2.88 -0.15 1.43 0.51 -1.26 -3.09 118.94 116.81 1mx7 s TRP 88 Ca 0.26 -0.30 -0.15 0.00 -2.12 0.00 0.00 56.10 53.78 1mx7 s TRP 88 Cb -0.02 -1.80 -0.06 0.00 -0.81 0.00 0.00 33.47 30.78 1mx7 s TRP 88 CO 0.16 0.04 -0.30 -3.47 -0.51 0.00 0.00 176.95 172.87 1mx7 n ASP 89 N 2.98 1.80 0.00 2.95 -0.08 -1.19 -4.97 116.55 118.05 1mx7 n ASP 89 Ca -0.18 0.30 0.00 0.00 -1.51 0.00 0.00 54.79 53.40 1mx7 n ASP 89 Cb 0.53 -0.68 0.00 0.00 2.34 0.00 0.00 41.12 43.30 1mx7 n ASP 89 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1mx7 n GLY 90 N 1.73 -0.52 2.79 0.27 0.00 -1.26 -4.96 105.19 103.25 1mx7 n GLY 90 Ca -0.16 0.60 -0.13 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.95 -3.52 1.61 9.92 -1.26 -5.01 116.55 115.33 1mx7 n ASP 91 Ca 0.00 -0.42 -0.00 0.00 -0.53 0.00 0.00 54.79 53.84 1mx7 n ASP 91 Cb 0.00 -3.75 -0.05 0.00 -0.64 0.00 0.00 41.12 36.68 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 -5.25 0.34 -1.31 -1.24 1.02 -1.26 -4.65 119.74 107.39 1mx7 s LYS 92 Ca 0.12 0.72 -0.16 0.00 0.02 0.00 0.00 55.97 56.68 1mx7 s LYS 92 Cb -0.06 0.29 0.09 0.00 -0.52 0.00 0.00 37.83 37.63 1mx7 s LYS 92 CO 0.51 -0.09 1.77 1.28 -0.92 0.00 0.00 175.35 177.90 1mx7 n LEU 93 N 4.40 5.46 -4.58 3.17 4.77 -0.78 -3.15 117.00 126.29 1mx7 n LEU 93 Ca -0.14 -4.12 -0.42 0.00 -0.03 0.00 0.00 56.01 51.30 1mx7 n LEU 93 Cb 0.55 -1.69 -0.03 0.00 -2.33 0.00 0.00 43.42 39.92 1mx7 n LEU 93 CO -0.01 0.53 1.23 -1.58 -1.33 0.00 0.00 177.39 176.22 1mx7 s GLN 94 N 3.21 3.36 -0.09 3.23 -0.44 -1.18 -3.24 119.66 124.51 1mx7 s GLN 94 Ca 0.49 0.49 -0.01 0.00 -2.50 0.00 0.00 55.36 53.84 1mx7 s GLN 94 Cb 0.05 -4.10 -0.03 0.00 -1.64 0.00 0.00 33.01 27.29 1mx7 s GLN 94 CO 0.03 -1.86 -0.03 0.00 0.50 0.00 0.00 175.29 173.93 1mx7 s VAL 96 N -0.67 1.47 0.00 0.00 1.01 -1.11 -3.71 120.40 117.40 1mx7 s VAL 96 Ca 0.10 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1mx7 s VAL 96 Cb -0.12 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 1mx7 s VAL 96 CO 0.02 0.43 -0.07 0.00 0.00 0.00 0.00 175.10 175.48 1mx7 s GLN 97 N 0.36 0.54 -0.22 2.72 0.00 -1.26 -2.44 119.66 119.35 1mx7 s GLN 97 Ca -0.12 -0.30 -0.03 0.00 -0.00 0.00 0.00 55.36 54.91 1mx7 s GLN 97 Cb -0.15 -0.50 0.12 0.00 0.00 0.00 0.00 33.01 32.48 1mx7 s GLN 97 CO 0.04 0.13 0.33 -1.59 0.00 0.00 0.00 175.29 174.21 1mx7 s LYS 98 N -0.33 0.29 -0.47 9.60 -2.85 -1.14 -4.43 119.74 120.41 1mx7 s LYS 98 Ca 0.01 0.47 0.04 0.00 -1.00 0.00 0.00 55.97 55.49 1mx7 s LYS 98 Cb -0.03 -0.64 0.22 0.00 -2.06 0.00 0.00 37.83 35.32 1mx7 s LYS 98 CO -0.00 -0.61 0.89 0.41 0.10 0.00 0.00 175.35 176.14 1mx7 n GLY 99 N 5.35 -0.55 0.54 0.59 0.00 -1.26 -3.46 105.19 106.41 1mx7 n GLY 99 Ca -0.04 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 2.18 0.00 0.00 1.61 4.07 -1.26 -4.72 120.64 122.52 1mx7 n GLU 100 Ca 0.12 0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.31 1mx7 n GLU 100 Cb 0.62 -1.03 0.00 0.00 -0.06 0.00 0.00 31.44 30.96 1mx7 n GLU 100 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1mx7 n LYS 101 N -1.85 0.13 0.10 5.31 0.00 -1.26 -5.13 118.16 115.47 1mx7 n LYS 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1mx7 n LYS 101 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.07 1mx7 n LYS 101 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1mx7 n GLU 102 N 0.00 0.00 -1.78 1.64 -0.58 -1.26 -4.97 120.64 113.68 1mx7 n GLU 102 Ca 0.00 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.43 1mx7 n GLU 102 Cb 0.00 -0.08 0.04 0.00 -0.57 0.00 0.00 31.44 30.83 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 1.80 6.03 3.94 0.62 0.00 -1.26 -5.00 105.19 111.32 1mx7 n GLY 103 Ca 0.00 -2.51 -0.25 0.00 0.00 0.00 0.00 46.02 43.26 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 -3.75 2.56 0.00 1.61 0.52 -1.26 -3.13 118.95 115.50 1mx7 s ARG 104 Ca 0.56 -0.33 0.00 0.00 -0.52 0.00 0.00 55.73 55.45 1mx7 s ARG 104 Cb 0.45 -2.31 0.00 0.00 0.52 0.00 0.00 34.95 33.62 1mx7 s ARG 104 CO -0.07 -0.88 0.00 0.41 0.02 0.00 0.00 175.30 174.78 1mx7 n GLY 105 N -2.62 3.65 3.96 -3.53 0.00 -1.26 -4.41 105.19 100.98 1mx7 n GLY 105 Ca 0.06 -1.48 -0.22 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.90 1.81 -0.05 1.61 0.51 -1.24 -3.25 118.94 117.43 1mx7 s TRP 106 Ca 0.00 -0.71 -0.02 0.00 -2.12 0.00 0.00 56.10 53.25 1mx7 s TRP 106 Cb 0.00 -2.10 0.03 0.00 -0.81 0.00 0.00 33.47 30.59 1mx7 s TRP 106 CO 0.00 -0.67 0.08 0.99 -0.51 0.00 0.00 176.95 176.84 1mx7 s THR 107 N -2.65 -0.13 -0.13 2.01 2.01 -0.14 -3.64 115.64 112.96 1mx7 s THR 107 Ca 0.48 0.41 -0.03 0.00 0.31 0.00 0.00 61.69 62.87 1mx7 s THR 107 Cb -0.04 -0.17 -0.03 0.00 0.01 0.00 0.00 72.50 72.26 1mx7 s THR 107 CO 0.30 0.17 -0.03 -1.10 -0.69 0.00 0.00 174.62 173.27 1mx7 s GLN 108 N 2.16 3.42 -0.13 4.92 -0.21 -1.20 -1.14 119.66 127.47 1mx7 s GLN 108 Ca 0.04 -0.50 -0.04 0.00 0.02 0.00 0.00 55.36 54.89 1mx7 s GLN 108 Cb -0.12 -2.86 0.05 0.00 1.00 0.00 0.00 33.01 31.08 1mx7 s GLN 108 CO -0.03 0.39 0.07 -0.46 -2.12 0.00 0.00 175.29 173.13 1mx7 s TRP 109 N -0.05 0.32 -0.06 0.91 -0.11 -0.67 -1.87 118.94 117.43 1mx7 s TRP 109 Ca 0.02 -0.24 -0.27 0.00 1.22 0.00 0.00 56.10 56.83 1mx7 s TRP 109 Cb -0.13 -0.70 -0.03 0.00 -1.50 0.00 0.00 33.47 31.11 1mx7 s TRP 109 CO 0.02 -0.43 0.86 0.42 -4.62 0.00 0.00 176.95 173.20 1mx7 s ILE 110 N 2.09 4.92 -0.49 5.86 1.01 -1.26 -1.81 121.20 131.53 1mx7 s ILE 110 Ca 0.03 1.78 0.03 0.00 0.00 0.00 0.00 60.65 62.48 1mx7 s ILE 110 Cb -0.15 -4.19 0.14 0.00 0.01 0.00 0.00 42.46 38.27 1mx7 s ILE 110 CO -0.07 0.15 0.28 -1.61 0.00 0.00 0.00 174.94 173.69 1mx7 s GLU 111 N 1.22 1.56 3.13 2.79 2.02 -0.34 -5.02 118.70 124.06 1mx7 s GLU 111 Ca 0.44 -2.31 0.00 0.00 0.02 0.00 0.00 54.97 53.13 1mx7 s GLU 111 Cb -0.19 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.42 1mx7 s GLU 111 CO 0.21 -1.18 0.00 0.41 0.02 0.00 0.00 175.26 174.72 1mx7 n GLY 112 N 3.22 0.80 2.02 -1.39 0.00 -1.26 -0.81 105.19 107.77 1mx7 n GLY 112 Ca 0.10 0.63 -0.18 0.00 0.00 0.00 0.00 46.02 46.58 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 7.39 3.74 -3.82 1.61 9.92 -1.26 -4.91 116.55 129.23 1mx7 n ASP 113 Ca 0.00 -3.57 -0.12 0.00 -0.53 0.00 0.00 54.79 50.57 1mx7 n ASP 113 Cb 0.00 -0.79 -0.11 0.00 -0.64 0.00 0.00 41.12 39.58 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 -3.24 0.40 -0.13 -1.24 2.02 0.01 0.36 118.70 116.89 1mx7 s GLU 114 Ca 0.55 -0.03 -0.03 0.00 0.02 0.00 0.00 54.97 55.47 1mx7 s GLU 114 Cb 0.46 0.18 -0.03 0.00 0.10 0.00 0.00 34.13 34.84 1mx7 s GLU 114 CO 0.10 -0.09 -0.01 -0.51 0.02 0.00 0.00 175.26 174.77 1mx7 s LEU 115 N -0.66 3.43 -0.41 1.80 1.43 -0.87 -1.20 118.68 122.20 1mx7 s LEU 115 Ca -0.08 -0.00 0.04 0.00 -1.03 0.00 0.00 54.13 53.06 1mx7 s LEU 115 Cb -0.04 -1.81 0.11 0.00 0.03 0.00 0.00 46.19 44.48 1mx7 s LEU 115 CO 0.01 0.25 0.14 -2.28 0.23 0.00 0.00 176.35 174.71 1mx7 s HIS 116 N -0.13 3.41 -0.16 0.29 2.46 -0.75 -2.08 115.29 118.33 1mx7 s HIS 116 Ca 0.04 -3.01 -0.08 0.00 0.47 0.00 0.00 55.06 52.47 1mx7 s HIS 116 Cb -0.13 -2.81 -0.04 0.00 -0.13 0.00 0.00 32.58 29.47 1mx7 s HIS 116 CO 0.02 -0.86 0.11 -1.17 -2.47 0.00 0.00 174.74 170.37 1mx7 s LEU 117 N 0.44 4.14 -0.30 8.88 2.96 -1.24 -1.66 118.68 131.90 1mx7 s LEU 117 Ca 0.14 0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 54.30 1mx7 s LEU 117 Cb -0.22 -2.04 0.10 0.00 0.50 0.00 0.00 46.19 44.53 1mx7 s LEU 117 CO -0.05 0.27 0.10 -1.61 -1.32 0.00 0.00 176.35 173.73 1mx7 s GLU 118 N -0.19 0.62 -0.06 1.98 2.02 -0.29 -2.29 118.70 120.48 1mx7 s GLU 118 Ca 0.10 -0.92 -0.11 0.00 0.02 0.00 0.00 54.97 54.05 1mx7 s GLU 118 Cb -0.12 -1.84 -0.05 0.00 0.10 0.00 0.00 34.13 32.22 1mx7 s GLU 118 CO 0.01 -0.96 0.28 1.41 0.02 0.00 0.00 175.26 176.02 1mx7 s MET 119 N 1.72 3.73 0.40 1.61 1.75 0.85 -0.96 119.30 128.40 1mx7 s MET 119 Ca 0.09 0.16 0.04 0.00 -1.25 0.00 0.00 55.69 54.72 1mx7 s MET 119 Cb -0.17 -3.22 -0.03 0.00 2.84 0.00 0.00 34.83 34.26 1mx7 s MET 119 CO -0.26 0.70 0.15 -0.98 -0.65 0.00 0.00 175.02 173.98 1mx7 s ARG 120 N -0.97 1.90 0.00 4.11 1.70 -1.20 0.13 118.95 124.62 1mx7 s ARG 120 Ca 0.19 -2.15 0.00 0.00 -0.47 0.00 0.00 55.73 53.31 1mx7 s ARG 120 Cb -0.14 -0.49 0.00 0.00 -0.57 0.00 0.00 34.95 33.74 1mx7 s ARG 120 CO 0.09 -0.49 0.00 0.00 -1.08 0.00 0.00 175.30 173.81 1mx7 n ALA 121 N -0.87 0.00 -4.06 7.88 0.00 0.63 -4.07 120.51 120.02 1mx7 n ALA 121 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.10 1mx7 n ALA 121 Cb 0.65 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.06 -2.05 -1.77 0.00 0.00 -1.25 -1.00 120.64 114.50 1mx7 n GLU 122 Ca 0.00 0.27 -0.15 0.00 0.00 0.00 0.00 57.16 57.29 1mx7 n GLU 122 Cb 0.00 -3.99 -0.04 0.00 0.00 0.00 0.00 31.44 27.41 1mx7 n GLU 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1mx7 n GLY 123 N -2.17 0.79 2.73 8.31 0.00 -1.26 -4.97 105.19 108.62 1mx7 n GLY 123 Ca -0.28 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.62 0.23 0.33 1.61 1.01 -0.17 -5.15 120.40 115.65 1mx7 s VAL 124 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1mx7 s VAL 124 Cb 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 1mx7 s VAL 124 CO 0.00 0.18 0.53 -0.89 0.00 0.00 0.00 175.10 174.92 1mx7 s THR 125 N 2.03 5.11 0.03 3.92 2.01 -1.26 -0.27 115.64 127.20 1mx7 s THR 125 Ca 0.04 -0.42 -0.14 0.00 0.31 0.00 0.00 61.69 61.49 1mx7 s THR 125 Cb -0.13 -3.84 0.02 0.00 0.01 0.00 0.00 72.50 68.56 1mx7 s THR 125 CO -0.05 -0.50 0.29 0.00 -0.69 0.00 0.00 174.62 173.67 1mx7 s LYS 127 N -2.25 0.33 -0.24 0.00 1.02 -0.75 -0.10 119.74 117.74 1mx7 s LYS 127 Ca -0.07 0.93 -0.05 0.00 0.02 0.00 0.00 55.97 56.79 1mx7 s LYS 127 Cb -0.02 0.18 -0.01 0.00 -0.52 0.00 0.00 37.83 37.46 1mx7 s LYS 127 CO -0.01 -0.22 0.01 -1.14 -0.92 0.00 0.00 175.35 173.06 1mx7 s GLN 128 N 2.18 3.36 -0.27 1.68 0.74 -0.97 -1.12 119.66 125.27 1mx7 s GLN 128 Ca -0.04 -0.65 -0.26 0.00 0.05 0.00 0.00 55.36 54.46 1mx7 s GLN 128 Cb -0.11 -3.16 0.00 0.00 1.10 0.00 0.00 33.01 30.84 1mx7 s GLN 128 CO -0.12 -0.25 0.91 0.08 -0.55 0.00 0.00 175.29 175.35 1mx7 s VAL 129 N 1.51 4.73 -0.16 1.34 1.01 0.74 -3.63 120.40 125.94 1mx7 s VAL 129 Ca 0.05 1.62 -0.07 0.00 0.00 0.00 0.00 61.98 63.59 1mx7 s VAL 129 Cb -0.15 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1mx7 s VAL 129 CO -0.00 -0.21 0.07 -0.36 0.00 0.00 0.00 175.10 174.60 1mx7 s PHE 130 N 3.09 3.31 -0.14 5.22 0.08 -0.88 -2.20 117.98 126.46 1mx7 s PHE 130 Ca 0.38 0.19 -0.03 0.00 0.12 0.00 0.00 56.93 57.60 1mx7 s PHE 130 Cb -0.14 -2.01 -0.02 0.00 -0.57 0.00 0.00 43.02 40.27 1mx7 s PHE 130 CO 0.10 0.32 -0.06 0.21 -0.10 0.00 0.00 175.22 175.68 1mx7 s LYS 131 N -0.08 3.55 0.16 0.44 2.36 0.32 -2.04 119.74 124.46 1mx7 s LYS 131 Ca 0.07 -0.55 0.00 0.00 -2.55 0.00 0.00 55.97 52.94 1mx7 s LYS 131 Cb -0.12 -2.83 0.00 0.00 -1.05 0.00 0.00 37.83 33.83 1mx7 s LYS 131 CO 0.01 0.27 0.00 1.17 1.55 0.00 0.00 175.35 178.35 1mx7 n LYS 132 N 3.43 -0.89 0.00 4.03 3.00 0.16 0.70 118.16 128.59 1mx7 n LYS 132 Ca -0.18 0.72 0.00 0.00 -0.00 0.00 0.00 58.31 58.85 1mx7 n LYS 132 Cb 0.53 -1.04 0.00 0.00 0.00 0.00 0.00 35.03 34.52 1mx7 n LYS 132 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1mx7 n VAL 133 N -2.67 0.00 0.00 3.15 3.14 -1.26 -3.14 118.33 117.55 1mx7 n VAL 133 Ca -0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 1mx7 n VAL 133 Cb 0.18 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.96 1mx7 n VAL 133 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94