#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 1.34 -1.54 -1.45 0.31 -1.26 -5.11 118.33 110.61 1mx7 n VAL 2 Ca 0.00 -3.06 -0.55 0.00 -0.01 0.00 0.00 64.34 60.73 1mx7 n VAL 2 Cb 0.00 1.02 -0.07 0.00 -0.91 0.00 0.00 33.84 33.88 1mx7 n VAL 2 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1mx7 n ASP 3 N -0.54 0.76 0.00 4.52 9.92 -1.26 -4.92 116.55 125.04 1mx7 n ASP 3 Ca 0.10 1.14 0.09 0.00 -0.53 0.00 0.00 54.79 55.60 1mx7 n ASP 3 Cb 0.81 -1.06 -0.14 0.00 -0.64 0.00 0.00 41.12 40.09 1mx7 n ASP 3 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1mx7 n PHE 4 N 1.90 0.18 -1.63 1.24 3.01 -1.26 -4.95 117.46 115.94 1mx7 n PHE 4 Ca 0.19 0.05 -0.47 0.00 1.01 0.00 0.00 57.45 58.24 1mx7 n PHE 4 Cb 0.14 -0.62 -0.04 0.00 -0.01 0.00 0.00 39.48 38.95 1mx7 n PHE 4 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1mx7 n ASN 5 N -2.37 3.37 0.00 4.37 6.94 -1.26 -4.71 115.26 121.60 1mx7 n ASN 5 Ca -0.05 0.74 0.00 0.00 -0.02 0.00 0.00 54.58 55.24 1mx7 n ASN 5 Cb 0.61 -1.42 0.00 0.00 -2.36 0.00 0.00 39.78 36.61 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 4.99 6.11 2.88 4.83 0.00 0.64 -4.90 105.19 119.74 1mx7 n GLY 6 Ca 0.26 -1.63 -0.03 0.00 0.00 0.00 0.00 46.02 44.63 1mx7 n GLY 6 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1mx7 s TYR 7 N -0.03 -1.61 0.00 1.61 6.14 -1.26 -3.95 117.35 118.26 1mx7 s TYR 7 Ca 0.00 -0.33 0.00 0.00 0.64 0.00 0.00 57.07 57.38 1mx7 s TYR 7 Cb 0.00 0.31 0.00 0.00 0.42 0.00 0.00 41.96 42.69 1mx7 s TYR 7 CO 0.00 -1.22 0.00 -2.67 0.64 0.00 0.00 175.55 172.30 1mx7 n TRP 8 N 3.33 -0.95 0.00 4.97 -0.00 -1.25 0.30 117.44 123.85 1mx7 n TRP 8 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.66 1mx7 n TRP 8 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.88 1mx7 n TRP 8 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1mx7 n LYS 9 N -0.02 0.00 -1.14 -2.67 2.85 -1.20 -4.16 118.16 111.83 1mx7 n LYS 9 Ca 0.00 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.87 1mx7 n LYS 9 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 1mx7 n LYS 9 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 177.40 177.23 1mx7 n MET 10 N 0.00 0.00 -0.06 -1.58 0.00 -1.26 -3.92 117.12 110.30 1mx7 n MET 10 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.70 57.52 1mx7 n MET 10 Cb 0.00 -0.82 -0.13 0.00 0.00 0.00 0.00 33.22 32.27 1mx7 n MET 10 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1mx7 n LEU 11 N 1.62 2.49 -3.62 -0.89 7.94 -0.29 -4.87 117.00 119.38 1mx7 n LEU 11 Ca 0.15 0.06 -0.02 0.00 -1.11 0.00 0.00 56.01 55.09 1mx7 n LEU 11 Cb 0.20 -0.84 -0.02 0.00 0.53 0.00 0.00 43.42 43.30 1mx7 n LEU 11 CO 0.46 0.84 1.14 -0.55 -1.11 0.00 0.00 177.39 178.16 1mx7 s SER 12 N -6.65 -0.05 0.34 1.96 0.15 -1.23 -5.02 113.70 103.21 1mx7 s SER 12 Ca -0.26 -0.01 0.09 0.00 0.70 0.00 0.00 55.95 56.47 1mx7 s SER 12 Cb 0.08 0.06 -0.07 0.00 -1.71 0.00 0.00 66.02 64.38 1mx7 s SER 12 CO 0.70 -0.09 -0.07 0.54 1.20 0.00 0.00 173.24 175.52 1mx7 s ASN 13 N -2.25 3.58 -0.25 5.45 4.22 -1.26 -0.31 114.94 124.11 1mx7 s ASN 13 Ca 0.12 -1.23 -0.14 0.00 -2.14 0.00 0.00 52.86 49.47 1mx7 s ASN 13 Cb 0.01 -0.32 0.08 0.00 1.28 0.00 0.00 41.25 42.29 1mx7 s ASN 13 CO -0.04 -0.27 0.62 -1.83 -2.04 0.00 0.00 177.10 173.55 1mx7 s GLU 14 N -3.65 0.63 -0.66 3.55 1.03 0.76 -4.95 118.70 115.41 1mx7 s GLU 14 Ca 0.33 1.12 -0.03 0.00 0.03 0.00 0.00 54.97 56.42 1mx7 s GLU 14 Cb 0.04 0.11 0.00 0.00 -0.80 0.00 0.00 34.13 33.48 1mx7 s GLU 14 CO 0.16 -0.15 0.57 0.09 -1.33 0.00 0.00 175.26 174.60 1mx7 n ASN 15 N 4.32 -3.35 0.07 0.83 3.02 -1.26 -1.43 115.26 117.46 1mx7 n ASN 15 Ca -0.21 -0.29 -0.21 0.00 -0.03 0.00 0.00 54.58 53.84 1mx7 n ASN 15 Cb 0.58 -2.85 -0.12 0.00 -0.61 0.00 0.00 39.78 36.78 1mx7 n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1mx7 h PHE 16 N -1.22 1.03 -0.21 3.10 3.57 -1.92 -2.87 116.94 118.42 1mx7 h PHE 16 Ca -0.30 -0.61 -0.16 0.00 3.53 0.00 0.00 57.97 60.43 1mx7 h PHE 16 Cb 1.18 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 1mx7 h PHE 16 CO 0.24 1.45 -0.54 0.93 -2.23 0.00 0.00 178.31 178.16 1mx7 h GLU 17 N 0.34 0.62 -0.11 1.11 5.08 -1.95 -1.94 114.58 117.72 1mx7 h GLU 17 Ca -0.16 -0.39 -0.13 0.00 -1.00 0.00 0.00 59.36 57.69 1mx7 h GLU 17 Cb 1.82 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.10 1mx7 h GLU 17 CO 0.22 1.00 -0.49 0.93 -1.00 0.00 0.00 179.01 179.67 1mx7 h GLU 18 N 0.48 0.30 -0.21 2.33 5.08 -1.98 -2.24 114.58 118.34 1mx7 h GLU 18 Ca 0.01 -0.17 -0.19 0.00 -1.00 0.00 0.00 59.36 58.02 1mx7 h GLU 18 Cb 1.09 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 1mx7 h GLU 18 CO 0.11 0.72 -0.62 -0.92 -1.00 0.00 0.00 179.01 177.30 1mx7 h TYR 19 N 0.24 0.91 0.00 4.33 5.03 -1.39 -2.16 116.97 123.93 1mx7 h TYR 19 Ca 0.01 -0.35 -0.07 0.00 2.58 0.00 0.00 58.73 60.90 1mx7 h TYR 19 Cb 0.95 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 39.06 1mx7 h TYR 19 CO 0.02 1.14 -0.34 -0.07 -1.32 0.00 0.00 178.16 177.60 1mx7 h LEU 20 N 0.53 0.00 -0.49 2.82 3.38 -1.19 -2.43 115.31 117.93 1mx7 h LEU 20 Ca -0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1mx7 h LEU 20 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 1mx7 h LEU 20 CO 0.13 0.34 -0.71 -0.09 0.09 0.00 0.00 178.44 178.19 1mx7 h ARG 21 N 0.00 0.00 0.00 1.13 1.12 -1.29 -2.79 114.38 112.55 1mx7 h ARG 21 Ca -0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.85 1mx7 h ARG 21 Cb 0.84 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.79 1mx7 h ARG 21 CO 0.04 0.71 -0.10 0.00 -3.11 0.00 0.00 179.97 177.51 1mx7 h ALA 22 N 1.29 1.68 -0.01 2.80 0.00 -0.87 -2.15 119.26 122.01 1mx7 h ALA 22 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1mx7 h ALA 22 Cb 1.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1mx7 h ALA 22 CO 0.09 0.12 -0.47 1.28 0.00 0.00 0.00 179.25 180.28 1mx7 n LEU 23 N -4.19 1.42 -3.75 0.00 4.77 -1.20 -4.59 117.00 109.47 1mx7 n LEU 23 Ca -0.03 -0.69 -0.33 0.00 -0.03 0.00 0.00 56.01 54.94 1mx7 n LEU 23 Cb 0.18 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1mx7 n LEU 23 CO 0.33 0.28 -0.10 0.47 -1.33 0.00 0.00 177.39 177.05 1mx7 n ASP 24 N -0.47 -4.71 -4.94 -1.43 8.00 -0.81 -5.00 116.55 107.20 1mx7 n ASP 24 Ca 0.06 -1.05 -0.24 0.00 0.71 0.00 0.00 54.79 54.27 1mx7 n ASP 24 Cb 0.33 -3.16 -0.00 0.00 -0.02 0.00 0.00 41.12 38.26 1mx7 n ASP 24 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1mx7 s VAL 25 N -3.52 4.77 0.28 2.53 -7.23 -1.19 -5.02 120.40 111.02 1mx7 s VAL 25 Ca 0.43 -0.41 -0.26 0.00 -1.81 0.00 0.00 61.98 59.93 1mx7 s VAL 25 Cb -0.17 -3.75 -0.16 0.00 0.56 0.00 0.00 36.38 32.86 1mx7 s VAL 25 CO 0.88 -0.52 0.47 0.59 -0.31 0.00 0.00 175.10 176.20 1mx7 n ASN 26 N -1.91 -1.35 0.23 4.85 3.02 -1.26 -4.88 115.26 113.95 1mx7 n ASN 26 Ca -0.02 1.04 0.09 0.00 -0.03 0.00 0.00 54.58 55.65 1mx7 n ASN 26 Cb 0.56 -0.98 0.55 0.00 -0.61 0.00 0.00 39.78 39.30 1mx7 n ASN 26 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1mx7 h VAL 27 N 0.92 0.79 0.00 2.41 2.07 -2.00 -2.95 116.25 117.48 1mx7 h VAL 27 Ca -0.32 -0.89 -0.10 0.00 0.82 0.00 0.00 66.70 66.20 1mx7 h VAL 27 Cb 1.43 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 1mx7 h VAL 27 CO 0.54 0.22 -0.48 0.00 0.02 0.00 0.00 177.57 177.87 1mx7 h ALA 28 N 1.78 0.90 -0.26 1.67 0.00 -2.00 -3.07 119.26 118.28 1mx7 h ALA 28 Ca -0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 1mx7 h ALA 28 Cb 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1mx7 h ALA 28 CO 0.03 0.60 -0.16 1.25 0.00 0.00 0.00 179.25 180.97 1mx7 h LEU 29 N 0.00 0.59 -1.01 0.00 5.85 -1.88 -2.49 115.31 116.36 1mx7 h LEU 29 Ca -0.00 -0.43 -0.10 0.00 0.84 0.00 0.00 57.88 58.18 1mx7 h LEU 29 Cb 1.06 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1mx7 h LEU 29 CO 0.06 0.89 -0.43 -0.09 -0.34 0.00 0.00 178.44 178.53 1mx7 h ARG 30 N 0.29 0.12 0.03 1.25 2.43 -1.58 0.05 114.38 116.97 1mx7 h ARG 30 Ca 0.05 -0.06 -0.22 0.00 -0.81 0.00 0.00 59.98 58.94 1mx7 h ARG 30 Cb 0.68 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1mx7 h ARG 30 CO 0.04 0.54 -0.99 0.87 -1.51 0.00 0.00 179.97 178.93 1mx7 h LYS 31 N 0.10 0.24 0.08 0.20 1.57 -1.56 -2.12 116.57 115.09 1mx7 h LYS 31 Ca 0.01 -0.30 -0.29 0.00 -1.87 0.00 0.00 60.65 58.20 1mx7 h LYS 31 Cb 0.81 0.10 0.03 0.00 0.08 0.00 0.00 32.23 33.25 1mx7 h LYS 31 CO 0.06 1.05 -1.19 0.82 -0.57 0.00 0.00 179.45 179.63 1mx7 h ILE 32 N 0.11 1.29 0.00 1.86 5.03 -1.26 -3.33 117.51 121.21 1mx7 h ILE 32 Ca -0.07 -2.41 0.00 0.00 -0.12 0.00 0.00 64.86 62.26 1mx7 h ILE 32 Cb 1.65 2.60 0.00 0.00 -3.03 0.00 0.00 36.82 38.04 1mx7 h ILE 32 CO 0.16 0.74 -0.14 0.00 -0.68 0.00 0.00 178.15 178.22 1mx7 h ALA 33 N 0.34 0.93 0.00 1.87 0.00 -1.06 -3.27 119.26 118.07 1mx7 h ALA 33 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1mx7 h ALA 33 Cb 1.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1mx7 h ALA 33 CO 0.23 0.00 0.00 0.27 0.00 0.00 0.00 179.25 179.75 1mx7 n ASN 34 N -2.94 0.78 -0.01 0.00 2.04 -0.80 -2.96 115.26 111.39 1mx7 n ASN 34 Ca 0.04 0.61 0.13 0.00 -0.44 0.00 0.00 54.58 54.92 1mx7 n ASN 34 Cb 0.52 -0.81 0.51 0.00 -2.53 0.00 0.00 39.78 37.47 1mx7 n ASN 34 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1mx7 n LEU 35 N -2.28 0.17 -4.63 -4.53 4.77 -1.23 -4.88 117.00 104.40 1mx7 n LEU 35 Ca 0.04 0.32 -0.25 0.00 -0.03 0.00 0.00 56.01 56.10 1mx7 n LEU 35 Cb 0.36 -0.41 -0.09 0.00 -2.33 0.00 0.00 43.42 40.96 1mx7 n LEU 35 CO 0.27 0.04 -0.30 -0.76 -1.33 0.00 0.00 177.39 175.31 1mx7 s LEU 36 N -2.97 2.96 -0.30 2.23 1.43 -1.15 -5.12 118.68 115.76 1mx7 s LEU 36 Ca 0.14 -1.04 -0.03 0.00 -1.03 0.00 0.00 54.13 52.17 1mx7 s LEU 36 Cb 0.19 -1.30 0.10 0.00 0.03 0.00 0.00 46.19 45.21 1mx7 s LEU 36 CO 0.58 -0.26 0.13 -1.59 0.23 0.00 0.00 176.35 175.44 1mx7 s LYS 37 N -3.72 0.31 0.52 1.70 -2.85 -1.26 -5.02 119.74 109.43 1mx7 s LYS 37 Ca 0.35 -0.69 -0.07 0.00 -1.00 0.00 0.00 55.97 54.56 1mx7 s LYS 37 Cb 0.01 -1.32 0.11 0.00 -2.06 0.00 0.00 37.83 34.57 1mx7 s LYS 37 CO 0.19 -1.03 0.24 -2.30 0.10 0.00 0.00 175.35 172.55 1mx7 n PRO 38 N 5.08 -1.05 -3.10 1.78 -0.02 -1.26 -5.06 135.00 131.36 1mx7 n PRO 38 Ca -0.04 -0.41 -0.10 0.00 -2.02 0.00 0.00 63.50 60.94 1mx7 n PRO 38 Cb 0.42 -0.75 -0.04 0.00 -0.02 0.00 0.00 33.50 33.11 1mx7 n PRO 38 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1mx7 n ASP 39 N -1.82 -0.28 -3.40 2.55 5.68 -1.26 -4.76 116.55 113.26 1mx7 n ASP 39 Ca 0.04 -2.07 0.02 0.00 -0.50 0.00 0.00 54.79 52.27 1mx7 n ASP 39 Cb 0.17 0.81 -0.05 0.00 -1.14 0.00 0.00 41.12 40.91 1mx7 n ASP 39 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1mx7 s LYS 40 N -2.67 0.20 -0.16 0.11 1.02 -1.26 -4.16 119.74 112.82 1mx7 s LYS 40 Ca 0.19 0.44 0.01 0.00 0.02 0.00 0.00 55.97 56.64 1mx7 s LYS 40 Cb 0.01 0.21 0.02 0.00 -0.52 0.00 0.00 37.83 37.55 1mx7 s LYS 40 CO 0.14 -0.06 -0.19 -2.00 -0.92 0.00 0.00 175.35 172.32 1mx7 s GLU 41 N 1.98 2.81 -0.03 1.68 2.12 -0.80 -3.75 118.70 122.72 1mx7 s GLU 41 Ca -0.03 -0.76 -0.09 0.00 0.36 0.00 0.00 54.97 54.44 1mx7 s GLU 41 Cb -0.04 -2.42 -0.05 0.00 0.26 0.00 0.00 34.13 31.89 1mx7 s GLU 41 CO -0.16 -0.18 0.27 0.42 -0.54 0.00 0.00 175.26 175.07 1mx7 s ILE 42 N 1.25 5.29 -0.10 -3.70 1.01 -1.25 -2.32 121.20 121.37 1mx7 s ILE 42 Ca 0.03 0.36 -0.08 0.00 0.00 0.00 0.00 60.65 60.96 1mx7 s ILE 42 Cb -0.13 -3.55 0.03 0.00 0.01 0.00 0.00 42.46 38.81 1mx7 s ILE 42 CO -0.10 0.50 0.26 -0.69 0.00 0.00 0.00 174.94 174.91 1mx7 s VAL 43 N -1.16 -0.01 -0.07 2.92 1.01 -0.62 -0.26 120.40 122.21 1mx7 s VAL 43 Ca 0.23 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.21 1mx7 s VAL 43 Cb -0.14 -0.38 0.04 0.00 0.00 0.00 0.00 36.38 35.91 1mx7 s VAL 43 CO 0.12 0.01 0.15 -1.58 0.00 0.00 0.00 175.10 173.79 1mx7 s GLN 44 N 0.35 0.06 -0.29 2.72 0.74 -1.26 0.16 119.66 122.14 1mx7 s GLN 44 Ca -0.02 0.44 0.11 0.00 0.05 0.00 0.00 55.36 55.94 1mx7 s GLN 44 Cb -0.03 -0.22 0.68 0.00 1.10 0.00 0.00 33.01 34.53 1mx7 s GLN 44 CO -0.01 -0.22 1.69 -0.25 -0.55 0.00 0.00 175.29 175.94 1mx7 n ASP 45 N 4.65 4.39 -0.72 6.67 9.92 -0.05 -4.85 116.55 136.55 1mx7 n ASP 45 Ca -0.18 -3.24 0.00 0.00 -0.53 0.00 0.00 54.79 50.84 1mx7 n ASP 45 Cb 0.51 -0.69 0.00 0.00 -0.64 0.00 0.00 41.12 40.30 1mx7 n ASP 45 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mx7 n GLY 46 N -0.33 -1.51 2.62 0.44 0.00 -1.26 -4.69 105.19 100.47 1mx7 n GLY 46 Ca 0.35 -0.68 -0.19 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 -5.36 -3.15 1.61 9.92 -1.26 -4.89 116.55 113.42 1mx7 n ASP 47 Ca 0.00 -0.06 0.02 0.00 -0.53 0.00 0.00 54.79 54.22 1mx7 n ASP 47 Cb 0.00 -4.44 -0.01 0.00 -0.64 0.00 0.00 41.12 36.03 1mx7 n ASP 47 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 1mx7 s HIS 48 N -2.97 -1.57 -0.05 1.24 5.04 -1.26 -4.70 115.29 111.02 1mx7 s HIS 48 Ca 0.10 0.45 -0.01 0.00 -1.54 0.00 0.00 55.06 54.05 1mx7 s HIS 48 Cb -0.05 0.28 -0.04 0.00 0.04 0.00 0.00 32.58 32.82 1mx7 s HIS 48 CO 0.12 -1.02 0.05 1.41 -2.34 0.00 0.00 174.74 172.96 1mx7 s MET 49 N 2.16 3.03 -0.06 2.88 0.00 0.13 -0.87 119.30 126.57 1mx7 s MET 49 Ca 0.15 -0.43 0.03 0.00 0.00 0.00 0.00 55.69 55.43 1mx7 s MET 49 Cb -0.05 -2.84 0.01 0.00 0.00 0.00 0.00 34.83 31.95 1mx7 s MET 49 CO -0.13 0.68 -0.13 0.42 0.00 0.00 0.00 175.02 175.86 1mx7 s ILE 50 N -1.04 1.18 -0.22 10.11 -1.09 0.12 0.10 121.20 130.37 1mx7 s ILE 50 Ca 0.18 -0.52 0.02 0.00 -2.23 0.00 0.00 60.65 58.10 1mx7 s ILE 50 Cb -0.12 -1.07 0.05 0.00 -1.58 0.00 0.00 42.46 39.74 1mx7 s ILE 50 CO 0.08 0.36 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.40 1mx7 s ILE 51 N 0.55 1.95 -0.45 2.92 1.09 -0.39 -1.58 121.20 125.30 1mx7 s ILE 51 Ca -0.13 -1.27 -0.04 0.00 -1.10 0.00 0.00 60.65 58.10 1mx7 s ILE 51 Cb -0.15 -1.99 0.12 0.00 -1.06 0.00 0.00 42.46 39.38 1mx7 s ILE 51 CO 0.04 0.15 0.27 -0.13 -0.10 0.00 0.00 174.94 175.17 1mx7 s ARG 52 N 1.25 2.18 -0.89 2.79 0.52 -0.98 -1.34 118.95 122.48 1mx7 s ARG 52 Ca -0.03 -1.90 -0.15 0.00 -0.52 0.00 0.00 55.73 53.12 1mx7 s ARG 52 Cb -0.17 -3.68 0.19 0.00 0.52 0.00 0.00 34.95 31.81 1mx7 s ARG 52 CO -0.08 -1.11 0.92 0.99 0.02 0.00 0.00 175.30 176.04 1mx7 s THR 53 N 1.03 5.33 0.00 0.02 2.01 -1.17 -1.90 115.64 120.95 1mx7 s THR 53 Ca 0.09 -2.23 -0.00 0.00 0.31 0.00 0.00 61.69 59.86 1mx7 s THR 53 Cb -0.23 -4.59 -0.01 0.00 0.01 0.00 0.00 72.50 67.68 1mx7 s THR 53 CO -0.03 -1.21 0.44 0.18 -0.69 0.00 0.00 174.62 173.30 1mx7 n LEU 54 N 4.80 0.46 -4.76 4.42 4.77 -1.26 -2.62 117.00 122.81 1mx7 n LEU 54 Ca 0.18 -0.44 -0.41 0.00 -0.03 0.00 0.00 56.01 55.31 1mx7 n LEU 54 Cb 0.47 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 1mx7 n LEU 54 CO 0.40 -0.09 1.05 -0.55 -1.33 0.00 0.00 177.39 176.88 1mx7 s SER 55 N 2.40 6.64 -0.06 -1.43 0.15 -1.26 -4.71 113.70 115.43 1mx7 s SER 55 Ca 0.03 2.77 -0.04 0.00 0.70 0.00 0.00 55.95 59.41 1mx7 s SER 55 Cb 0.01 -2.65 -0.27 0.00 -1.71 0.00 0.00 66.02 61.40 1mx7 s SER 55 CO 0.00 -0.66 0.62 0.71 1.20 0.00 0.00 173.24 175.11 1mx7 h THR 56 N 3.16 0.88 -0.86 6.45 1.35 -1.99 -2.57 112.91 119.34 1mx7 h THR 56 Ca -0.49 -2.57 0.16 0.00 -0.55 0.00 0.00 66.41 62.97 1mx7 h THR 56 Cb 1.23 2.63 -0.06 0.00 -1.73 0.00 0.00 68.15 70.21 1mx7 h THR 56 CO 0.69 0.81 0.56 0.15 -0.25 0.00 0.00 175.52 177.48 1mx7 h PHE 57 N 0.07 0.65 -0.26 4.73 3.57 -2.01 -3.39 116.94 120.31 1mx7 h PHE 57 Ca -0.33 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.31 1mx7 h PHE 57 Cb 2.04 -0.20 -0.18 0.00 2.79 0.00 0.00 35.95 40.40 1mx7 h PHE 57 CO 0.07 0.22 -0.13 0.50 -2.23 0.00 0.00 178.31 176.74 1mx7 s ARG 58 N -5.54 0.21 0.39 1.11 6.06 -1.25 -5.16 118.95 114.77 1mx7 s ARG 58 Ca -0.09 -0.07 -0.23 0.00 -2.50 0.00 0.00 55.73 52.84 1mx7 s ARG 58 Cb 0.22 0.03 -0.13 0.00 0.06 0.00 0.00 34.95 35.12 1mx7 s ARG 58 CO 0.78 -0.31 0.59 0.27 -2.50 0.00 0.00 175.30 174.13 1mx7 n ASN 59 N 3.74 -0.68 -3.88 -2.12 2.04 -0.97 -4.68 115.26 108.72 1mx7 n ASN 59 Ca 0.06 0.96 -0.30 0.00 -0.44 0.00 0.00 54.58 54.86 1mx7 n ASN 59 Cb 0.63 -1.12 -0.14 0.00 -2.53 0.00 0.00 39.78 36.63 1mx7 n ASN 59 CO 0.00 0.00 0.00 -0.47 -0.44 0.00 0.00 177.26 176.35 1mx7 s TYR 60 N -1.39 2.88 -0.13 -2.53 6.14 -1.08 -4.96 117.35 116.28 1mx7 s TYR 60 Ca 0.63 -2.99 -0.20 0.00 0.64 0.00 0.00 57.07 55.15 1mx7 s TYR 60 Cb -0.64 -2.55 -0.04 0.00 0.42 0.00 0.00 41.96 39.15 1mx7 s TYR 60 CO 0.58 -0.74 0.56 0.42 0.64 0.00 0.00 175.55 177.01 1mx7 s ILE 61 N -0.21 5.12 0.02 3.14 -1.09 -1.26 -3.06 121.20 123.85 1mx7 s ILE 61 Ca 0.18 1.11 0.06 0.00 -2.23 0.00 0.00 60.65 59.77 1mx7 s ILE 61 Cb -0.24 -3.89 -0.02 0.00 -1.58 0.00 0.00 42.46 36.73 1mx7 s ILE 61 CO -0.01 0.26 -0.19 -0.04 -1.23 0.00 0.00 174.94 173.73 1mx7 s MET 62 N 0.97 1.40 -0.31 2.79 -1.94 -0.45 -5.04 119.30 116.72 1mx7 s MET 62 Ca 0.29 -0.79 -0.02 0.00 -1.71 0.00 0.00 55.69 53.46 1mx7 s MET 62 Cb -0.16 -1.43 0.12 0.00 2.01 0.00 0.00 34.83 35.37 1mx7 s MET 62 CO 0.12 0.38 0.18 0.34 -0.01 0.00 0.00 175.02 176.03 1mx7 s ASP 63 N -0.82 3.11 0.37 3.03 2.15 -1.26 -1.26 116.67 121.99 1mx7 s ASP 63 Ca 0.07 -1.53 0.08 0.00 0.43 0.00 0.00 52.55 51.60 1mx7 s ASP 63 Cb -0.08 -0.25 -0.04 0.00 -0.30 0.00 0.00 42.92 42.25 1mx7 s ASP 63 CO 0.01 -0.39 0.21 -0.36 -0.17 0.00 0.00 175.17 174.47 1mx7 s PHE 64 N 1.78 2.70 -0.32 -5.34 0.40 0.29 -4.98 117.98 112.50 1mx7 s PHE 64 Ca 0.12 -0.45 0.01 0.00 -0.60 0.00 0.00 56.93 56.02 1mx7 s PHE 64 Cb -0.18 -1.84 0.10 0.00 0.51 0.00 0.00 43.02 41.61 1mx7 s PHE 64 CO -0.24 0.20 0.08 -1.14 0.70 0.00 0.00 175.22 174.82 1mx7 s GLN 65 N -3.93 1.05 -0.43 0.44 2.00 -1.26 0.18 119.66 117.71 1mx7 s GLN 65 Ca 0.41 -1.44 -0.42 0.00 -2.00 0.00 0.00 55.36 51.91 1mx7 s GLN 65 Cb -0.01 -2.53 -0.17 0.00 0.80 0.00 0.00 33.01 31.10 1mx7 s GLN 65 CO 0.24 -0.97 2.04 0.28 -0.50 0.00 0.00 175.29 176.38 1mx7 n VAL 66 N 4.57 0.08 -2.18 1.34 0.31 -1.26 -0.62 118.33 120.58 1mx7 n VAL 66 Ca 0.01 -0.07 -0.06 0.00 -0.01 0.00 0.00 64.34 64.20 1mx7 n VAL 66 Cb 0.42 -0.88 -0.00 0.00 -0.91 0.00 0.00 33.84 32.46 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 6.44 0.14 0.65 2.92 0.00 0.12 -4.97 105.19 110.49 1mx7 n GLY 67 Ca 0.45 -0.60 0.07 0.00 0.00 0.00 0.00 46.02 45.94 1mx7 n GLY 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mx7 n LYS 68 N -1.63 1.46 -1.63 1.61 0.00 0.21 -5.02 118.16 113.17 1mx7 n LYS 68 Ca -0.07 -1.58 0.00 0.00 0.00 0.00 0.00 58.31 56.67 1mx7 n LYS 68 Cb 0.55 -1.30 0.00 0.00 0.00 0.00 0.00 35.03 34.29 1mx7 n LYS 68 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1mx7 n GLU 69 N 0.83 -4.64 -3.89 1.64 2.13 -1.26 -5.06 120.64 110.38 1mx7 n GLU 69 Ca 0.10 3.44 -0.11 0.00 0.66 0.00 0.00 57.16 61.25 1mx7 n GLU 69 Cb 0.39 -3.85 -0.12 0.00 0.27 0.00 0.00 31.44 28.13 1mx7 n GLU 69 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1mx7 s PHE 70 N -3.14 0.05 -0.67 4.31 0.40 0.14 -4.97 117.98 114.10 1mx7 s PHE 70 Ca 0.00 -0.09 -0.05 0.00 -0.60 0.00 0.00 56.93 56.19 1mx7 s PHE 70 Cb 0.00 -0.05 0.17 0.00 0.51 0.00 0.00 43.02 43.65 1mx7 s PHE 70 CO 0.00 -0.10 0.51 -2.00 0.70 0.00 0.00 175.22 174.33 1mx7 s GLU 71 N -0.55 2.78 0.13 0.44 2.12 -1.26 0.63 118.70 122.99 1mx7 s GLU 71 Ca -0.06 -2.52 -0.30 0.00 0.36 0.00 0.00 54.97 52.44 1mx7 s GLU 71 Cb -0.04 -3.88 -0.06 0.00 0.26 0.00 0.00 34.13 30.41 1mx7 s GLU 71 CO -0.00 -1.20 1.00 -1.21 -0.54 0.00 0.00 175.26 173.31 1mx7 s GLU 72 N -0.03 4.68 -0.37 4.30 2.02 -1.10 -4.96 118.70 123.23 1mx7 s GLU 72 Ca 0.17 1.52 0.01 0.00 0.02 0.00 0.00 54.97 56.69 1mx7 s GLU 72 Cb -0.18 -3.35 0.12 0.00 0.10 0.00 0.00 34.13 30.81 1mx7 s GLU 72 CO -0.04 0.18 0.16 -0.51 0.02 0.00 0.00 175.26 175.07 1mx7 s ASP 73 N -0.05 3.92 0.72 -0.19 1.01 -1.26 -2.50 116.67 118.33 1mx7 s ASP 73 Ca 0.47 -2.15 0.00 0.00 0.71 0.00 0.00 52.55 51.59 1mx7 s ASP 73 Cb -0.25 -1.01 0.00 0.00 1.01 0.00 0.00 42.92 42.67 1mx7 s ASP 73 CO 0.31 -0.34 0.00 0.18 0.21 0.00 0.00 175.17 175.53 1mx7 n LEU 74 N 4.18 0.00 0.00 1.23 4.32 -1.20 -5.04 117.00 120.49 1mx7 n LEU 74 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 1mx7 n LEU 74 Cb 0.38 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 1mx7 n LEU 74 CO 0.18 -0.85 0.00 0.35 -1.22 0.00 0.00 177.39 175.85 1mx7 n THR 75 N -2.02 0.00 -2.36 -5.08 -2.24 -1.26 -4.78 114.28 96.54 1mx7 n THR 75 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1mx7 n THR 75 Cb 0.00 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.27 1mx7 n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mx7 n GLY 76 N -1.27 0.70 6.00 3.38 0.00 -1.26 -4.40 105.19 108.35 1mx7 n GLY 76 Ca 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1mx7 n GLY 76 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1mx7 n ILE 77 N -1.91 0.00 -0.03 -0.61 5.41 -1.26 -3.16 119.36 117.80 1mx7 n ILE 77 Ca 0.06 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.75 1mx7 n ILE 77 Cb 0.21 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.12 1mx7 n ILE 77 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1mx7 n ASP 78 N 5.66 0.87 -0.48 4.38 5.75 -1.26 -4.85 116.55 126.62 1mx7 n ASP 78 Ca 0.00 0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.84 1mx7 n ASP 78 Cb 0.00 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 1mx7 n ASP 78 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1mx7 n ASP 79 N -3.18 -3.58 -3.64 -1.12 5.68 -1.19 -5.01 116.55 104.51 1mx7 n ASP 79 Ca -0.12 0.29 -0.03 0.00 -0.50 0.00 0.00 54.79 54.43 1mx7 n ASP 79 Cb 0.59 -0.57 -0.06 0.00 -1.14 0.00 0.00 41.12 39.94 1mx7 n ASP 79 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 1mx7 s ARG 80 N -3.41 0.10 0.11 0.11 3.52 -1.26 -4.99 118.95 113.13 1mx7 s ARG 80 Ca 0.00 0.07 -0.05 0.00 -0.13 0.00 0.00 55.73 55.62 1mx7 s ARG 80 Cb 0.00 0.05 -0.05 0.00 -1.56 0.00 0.00 34.95 33.39 1mx7 s ARG 80 CO 0.00 -0.02 0.34 0.15 -0.81 0.00 0.00 175.30 174.96 1mx7 s LYS 81 N -0.43 3.61 0.10 5.12 1.02 -1.26 -3.27 119.74 124.62 1mx7 s LYS 81 Ca 0.07 -0.10 -0.26 0.00 0.02 0.00 0.00 55.97 55.70 1mx7 s LYS 81 Cb -0.03 -2.92 0.08 0.00 -0.52 0.00 0.00 37.83 34.44 1mx7 s LYS 81 CO -0.11 0.52 1.01 0.00 -0.92 0.00 0.00 175.35 175.84 1mx7 s MET 83 N -3.12 2.25 -0.34 0.00 -1.94 -1.26 -2.72 119.30 112.17 1mx7 s MET 83 Ca 0.12 -2.43 -0.22 0.00 -1.71 0.00 0.00 55.69 51.44 1mx7 s MET 83 Cb -0.00 -3.56 0.00 0.00 2.01 0.00 0.00 34.83 33.28 1mx7 s MET 83 CO -0.00 -1.13 0.73 0.99 -0.01 0.00 0.00 175.02 175.60 1mx7 s THR 84 N 0.07 4.81 -0.25 2.05 2.01 0.20 -3.98 115.64 120.56 1mx7 s THR 84 Ca 0.16 0.89 0.03 0.00 0.31 0.00 0.00 61.69 63.07 1mx7 s THR 84 Cb -0.22 -4.14 0.05 0.00 0.01 0.00 0.00 72.50 68.21 1mx7 s THR 84 CO -0.03 -0.32 -0.12 -0.89 -0.69 0.00 0.00 174.62 172.57 1mx7 s THR 85 N 2.91 2.19 -0.25 -0.82 2.01 -1.26 0.24 115.64 120.66 1mx7 s THR 85 Ca 0.29 -1.54 -0.25 0.00 0.31 0.00 0.00 61.69 60.51 1mx7 s THR 85 Cb -0.14 -2.24 -0.00 0.00 0.01 0.00 0.00 72.50 70.13 1mx7 s THR 85 CO 0.15 0.04 0.84 -0.69 -0.69 0.00 0.00 174.62 174.27 1mx7 s VAL 86 N 1.13 4.83 -0.05 3.82 1.01 -1.26 -4.02 120.40 125.85 1mx7 s VAL 86 Ca -0.07 1.57 -0.07 0.00 0.00 0.00 0.00 61.98 63.42 1mx7 s VAL 86 Cb -0.19 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.08 1mx7 s VAL 86 CO -0.06 -0.09 0.17 -0.94 0.00 0.00 0.00 175.10 174.19 1mx7 s SER 87 N 1.35 -0.15 0.25 3.32 1.04 0.13 -0.70 113.70 118.93 1mx7 s SER 87 Ca 0.35 0.26 -0.30 0.00 0.48 0.00 0.00 55.95 56.74 1mx7 s SER 87 Cb -0.15 0.34 -0.09 0.00 0.10 0.00 0.00 66.02 66.22 1mx7 s SER 87 CO 0.07 -0.12 1.18 -1.66 0.98 0.00 0.00 173.24 173.69 1mx7 s TRP 88 N -0.19 3.43 -2.10 5.02 -0.00 -1.26 -1.77 118.94 122.08 1mx7 s TRP 88 Ca -0.03 1.54 0.21 0.00 -0.00 0.00 0.00 56.10 57.82 1mx7 s TRP 88 Cb -0.02 -3.41 0.57 0.00 -0.00 0.00 0.00 33.47 30.60 1mx7 s TRP 88 CO 0.01 -1.05 1.48 -3.47 -0.00 0.00 0.00 176.95 173.92 1mx7 n ASP 89 N 1.67 3.49 0.00 -2.66 2.03 -1.07 -4.79 116.55 115.22 1mx7 n ASP 89 Ca 0.01 -1.99 0.00 0.00 0.52 0.00 0.00 54.79 53.33 1mx7 n ASP 89 Cb 0.44 -0.40 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 1mx7 n ASP 89 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mx7 n GLY 90 N 1.54 0.95 2.03 0.27 0.00 -1.26 -4.80 105.19 103.92 1mx7 n GLY 90 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1mx7 n GLY 90 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mx7 n ASP 91 N 0.00 -0.51 -4.67 1.61 5.68 -1.26 -5.11 116.55 112.29 1mx7 n ASP 91 Ca 0.00 0.12 -0.31 0.00 -0.50 0.00 0.00 54.79 54.10 1mx7 n ASP 91 Cb 0.00 0.86 0.17 0.00 -1.14 0.00 0.00 41.12 41.00 1mx7 n ASP 91 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1mx7 s LYS 92 N -2.00 0.94 -0.31 0.11 1.02 -1.26 -4.97 119.74 113.27 1mx7 s LYS 92 Ca 0.00 1.45 -0.10 0.00 0.02 0.00 0.00 55.97 57.34 1mx7 s LYS 92 Cb 0.00 -1.73 -0.01 0.00 -0.52 0.00 0.00 37.83 35.57 1mx7 s LYS 92 CO 0.00 -2.65 0.15 -1.17 -0.92 0.00 0.00 175.35 170.76 1mx7 s LEU 93 N -6.60 4.07 0.01 3.17 2.96 -1.16 -2.60 118.68 118.53 1mx7 s LEU 93 Ca 0.66 -0.48 0.07 0.00 -0.22 0.00 0.00 54.13 54.16 1mx7 s LEU 93 Cb -0.22 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 1mx7 s LEU 93 CO 0.58 -0.18 -0.21 -1.10 -1.32 0.00 0.00 176.35 174.13 1mx7 s GLN 94 N 1.62 1.52 0.10 1.98 1.11 -0.73 -2.50 119.66 122.76 1mx7 s GLN 94 Ca 0.05 -0.84 0.02 0.00 0.01 0.00 0.00 55.36 54.60 1mx7 s GLN 94 Cb -0.17 -1.55 -0.04 0.00 -1.01 0.00 0.00 33.01 30.24 1mx7 s GLN 94 CO 0.06 0.41 -0.08 0.00 0.01 0.00 0.00 175.29 175.70 1mx7 n VAL 96 N 0.27 0.17 -1.24 0.00 0.31 -1.26 -4.03 118.33 112.55 1mx7 n VAL 96 Ca -0.14 0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1mx7 n VAL 96 Cb 0.59 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 1mx7 n VAL 96 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1mx7 n GLN 97 N -2.79 -2.02 -3.62 5.55 10.64 -1.26 -2.22 117.38 121.67 1mx7 n GLN 97 Ca 0.00 1.76 -0.21 0.00 -1.83 0.00 0.00 57.00 56.71 1mx7 n GLN 97 Cb 0.00 -1.76 -0.03 0.00 -0.86 0.00 0.00 30.24 27.59 1mx7 n GLN 97 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 1mx7 s LYS 98 N -1.89 2.48 0.00 2.61 -2.85 -1.26 -4.45 119.74 114.40 1mx7 s LYS 98 Ca 0.00 -1.60 0.00 0.00 -1.00 0.00 0.00 55.97 53.37 1mx7 s LYS 98 Cb 0.00 -2.33 0.00 0.00 -2.06 0.00 0.00 37.83 33.44 1mx7 s LYS 98 CO 0.00 -0.23 0.00 0.41 0.10 0.00 0.00 175.35 175.63 1mx7 n GLY 99 N -1.55 -0.30 0.45 0.59 0.00 -1.26 -4.26 105.19 98.86 1mx7 n GLY 99 Ca 0.03 0.42 0.05 0.00 0.00 0.00 0.00 46.02 46.52 1mx7 n GLY 99 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1mx7 n GLU 100 N 0.00 0.65 -3.95 1.61 -0.00 -1.26 -5.10 120.64 112.60 1mx7 n GLU 100 Ca 0.00 -1.95 -0.26 0.00 -0.00 0.00 0.00 57.16 54.95 1mx7 n GLU 100 Cb 0.00 -0.94 -0.02 0.00 -0.00 0.00 0.00 31.44 30.48 1mx7 n GLU 100 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1mx7 s LYS 101 N -1.43 2.27 -0.25 3.44 2.20 -1.26 -5.11 119.74 119.59 1mx7 s LYS 101 Ca 0.20 -2.00 -0.19 0.00 -0.36 0.00 0.00 55.97 53.62 1mx7 s LYS 101 Cb 0.19 -2.07 -0.02 0.00 -1.51 0.00 0.00 37.83 34.42 1mx7 s LYS 101 CO -0.01 -0.53 0.57 -2.00 -0.36 0.00 0.00 175.35 173.02 1mx7 s GLU 102 N -4.21 4.11 2.36 4.03 2.56 -1.26 -4.81 118.70 121.49 1mx7 s GLU 102 Ca 0.34 0.45 0.00 0.00 0.00 0.00 0.00 54.97 55.75 1mx7 s GLU 102 Cb -0.01 -3.64 0.00 0.00 2.00 0.00 0.00 34.13 32.48 1mx7 s GLU 102 CO 0.20 -0.35 0.00 0.41 -0.56 0.00 0.00 175.26 174.96 1mx7 n GLY 103 N 4.21 1.71 1.48 -1.50 0.00 -1.26 -0.50 105.19 109.33 1mx7 n GLY 103 Ca -0.02 -0.30 0.18 0.00 0.00 0.00 0.00 46.02 45.88 1mx7 n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mx7 n ARG 104 N 0.00 -3.29 -0.41 1.61 1.74 -1.26 -4.94 116.66 110.11 1mx7 n ARG 104 Ca 0.00 2.56 0.05 0.00 -0.77 0.00 0.00 57.85 59.70 1mx7 n ARG 104 Cb 0.00 -3.89 -0.02 0.00 -1.02 0.00 0.00 32.46 27.53 1mx7 n ARG 104 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1mx7 n GLY 105 N -4.37 -2.39 1.48 -0.13 0.00 -0.94 -4.79 105.19 94.05 1mx7 n GLY 105 Ca -0.06 -1.37 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 1mx7 n GLY 105 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1mx7 n TRP 106 N -2.90 -0.73 -3.61 1.61 8.01 -1.26 -2.58 117.44 115.99 1mx7 n TRP 106 Ca -0.02 -0.93 -0.02 0.00 -1.31 0.00 0.00 57.50 55.22 1mx7 n TRP 106 Cb 0.19 -0.16 -0.05 0.00 -2.01 0.00 0.00 31.31 29.28 1mx7 n TRP 106 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 1mx7 s THR 107 N -1.23 -0.59 -0.14 -0.99 2.01 -0.76 -4.12 115.64 109.83 1mx7 s THR 107 Ca 0.09 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.11 1mx7 s THR 107 Cb -0.01 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.51 1mx7 s THR 107 CO 0.06 0.00 -0.22 -1.10 -0.69 0.00 0.00 174.62 172.67 1mx7 s GLN 108 N 2.38 2.99 0.18 4.92 -0.21 -1.04 -2.54 119.66 126.35 1mx7 s GLN 108 Ca -0.07 -0.84 0.02 0.00 0.02 0.00 0.00 55.36 54.49 1mx7 s GLN 108 Cb -0.09 -2.42 -0.05 0.00 1.00 0.00 0.00 33.01 31.46 1mx7 s GLN 108 CO -0.19 -0.02 0.00 1.67 -2.12 0.00 0.00 175.29 174.63 1mx7 s TRP 109 N 0.83 1.28 -0.03 0.91 1.48 -1.22 -2.97 118.94 119.21 1mx7 s TRP 109 Ca -0.07 -1.00 0.03 0.00 -1.06 0.00 0.00 56.10 54.01 1mx7 s TRP 109 Cb -0.15 -0.73 -0.00 0.00 -1.16 0.00 0.00 33.47 31.43 1mx7 s TRP 109 CO -0.02 -0.18 -0.13 0.42 -4.06 0.00 0.00 176.95 172.98 1mx7 s ILE 110 N -3.61 1.09 0.00 0.66 1.01 -1.26 -2.77 121.20 116.31 1mx7 s ILE 110 Ca 0.25 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.36 1mx7 s ILE 110 Cb 0.06 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.58 1mx7 s ILE 110 CO 0.05 0.32 0.00 -0.62 0.00 0.00 0.00 174.94 174.69 1mx7 n GLU 111 N 3.15 3.03 -2.44 2.79 1.02 -1.24 -5.01 120.64 121.94 1mx7 n GLU 111 Ca -0.18 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.55 1mx7 n GLU 111 Cb 0.54 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.93 1mx7 n GLU 111 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1mx7 s GLY 112 N -0.75 0.86 -0.83 0.62 0.00 -1.26 -3.92 107.32 102.04 1mx7 s GLY 112 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1mx7 s GLY 112 CO 0.00 2.76 0.00 1.34 0.00 0.00 0.00 173.10 177.20 1mx7 n ASP 113 N 9.64 -2.85 -3.52 1.64 2.03 -1.26 -4.86 116.55 117.37 1mx7 n ASP 113 Ca 0.09 0.19 -0.29 0.00 0.52 0.00 0.00 54.79 55.31 1mx7 n ASP 113 Cb 0.49 -2.53 -0.12 0.00 -0.72 0.00 0.00 41.12 38.25 1mx7 n ASP 113 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1mx7 s GLU 114 N -2.41 0.78 0.27 -0.67 2.02 -1.25 -3.05 118.70 114.40 1mx7 s GLU 114 Ca 0.00 -1.59 -0.30 0.00 0.02 0.00 0.00 54.97 53.09 1mx7 s GLU 114 Cb 0.00 -1.58 -0.11 0.00 0.10 0.00 0.00 34.13 32.54 1mx7 s GLU 114 CO 0.00 -1.22 1.62 -1.17 0.02 0.00 0.00 175.26 174.51 1mx7 s LEU 115 N 0.77 4.35 -0.37 1.80 2.96 -1.22 -3.59 118.68 123.38 1mx7 s LEU 115 Ca 0.20 2.93 0.03 0.00 -0.22 0.00 0.00 54.13 57.07 1mx7 s LEU 115 Cb -0.20 -3.63 0.10 0.00 0.50 0.00 0.00 46.19 42.96 1mx7 s LEU 115 CO -0.02 -0.93 0.09 -2.28 -1.32 0.00 0.00 176.35 171.90 1mx7 s HIS 116 N 0.24 3.70 0.11 5.38 5.65 -1.12 -1.60 115.29 127.66 1mx7 s HIS 116 Ca 0.66 -2.96 -0.05 0.00 0.25 0.00 0.00 55.06 52.96 1mx7 s HIS 116 Cb -0.48 -2.95 -0.05 0.00 -1.18 0.00 0.00 32.58 27.91 1mx7 s HIS 116 CO 0.45 -0.93 0.34 -1.17 -0.65 0.00 0.00 174.74 172.78 1mx7 s LEU 117 N 0.81 4.30 -0.10 8.88 0.20 -1.22 -3.44 118.68 128.11 1mx7 s LEU 117 Ca 0.11 0.55 -0.05 0.00 0.69 0.00 0.00 54.13 55.44 1mx7 s LEU 117 Cb -0.20 -3.18 0.05 0.00 -0.43 0.00 0.00 46.19 42.43 1mx7 s LEU 117 CO -0.07 0.10 0.23 -1.83 -0.29 0.00 0.00 176.35 174.49 1mx7 s GLU 118 N -2.50 0.18 -0.17 1.98 -1.05 -1.05 -2.67 118.70 113.41 1mx7 s GLU 118 Ca 0.38 0.53 -0.02 0.00 -0.15 0.00 0.00 54.97 55.72 1mx7 s GLU 118 Cb -0.12 -0.13 -0.01 0.00 -0.44 0.00 0.00 34.13 33.43 1mx7 s GLU 118 CO 0.24 -0.18 -0.10 -1.64 0.95 0.00 0.00 175.26 174.53 1mx7 s MET 119 N 1.41 3.37 0.27 -4.83 -1.94 -0.07 -1.82 119.30 115.70 1mx7 s MET 119 Ca -0.08 -0.67 0.11 0.00 -1.71 0.00 0.00 55.69 53.34 1mx7 s MET 119 Cb -0.11 -2.77 -0.05 0.00 2.01 0.00 0.00 34.83 33.91 1mx7 s MET 119 CO -0.08 0.04 -0.17 1.03 -0.01 0.00 0.00 175.02 175.83 1mx7 s ARG 120 N 0.81 1.63 -0.30 2.03 3.00 -1.06 -0.17 118.95 124.89 1mx7 s ARG 120 Ca -0.03 -1.76 -0.23 0.00 0.00 0.00 0.00 55.73 53.71 1mx7 s ARG 120 Cb -0.15 -1.62 0.20 0.00 0.00 0.00 0.00 34.95 33.38 1mx7 s ARG 120 CO 0.01 0.27 1.41 0.00 0.00 0.00 0.00 175.30 176.99 1mx7 s ALA 121 N -2.63 -2.35 -0.78 2.13 0.00 -0.72 -3.85 121.76 113.56 1mx7 s ALA 121 Ca 0.29 1.74 -0.03 0.00 0.00 0.00 0.00 51.96 53.96 1mx7 s ALA 121 Cb -0.03 -1.85 0.02 0.00 0.00 0.00 0.00 23.12 21.27 1mx7 s ALA 121 CO 0.14 -0.15 0.12 -1.91 0.00 0.00 0.00 175.76 173.96 1mx7 n GLU 122 N 1.94 -2.65 0.00 0.00 0.00 0.35 -0.79 120.64 119.48 1mx7 n GLU 122 Ca -0.12 0.35 0.00 0.00 0.00 0.00 0.00 57.16 57.39 1mx7 n GLU 122 Cb 0.57 -4.94 0.00 0.00 0.00 0.00 0.00 31.44 27.07 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 -0.79 2.24 3.74 8.31 0.00 -1.22 -4.98 105.19 112.50 1mx7 n GLY 123 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.34 5.23 -0.21 1.61 1.01 0.03 -5.07 120.40 120.65 1mx7 s VAL 124 Ca 0.00 0.75 -0.02 0.00 0.00 0.00 0.00 61.98 62.71 1mx7 s VAL 124 Cb 0.00 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.67 1mx7 s VAL 124 CO 0.00 0.39 -0.10 -0.89 0.00 0.00 0.00 175.10 174.50 1mx7 s THR 125 N 0.34 2.81 0.16 3.92 2.01 -1.26 -1.75 115.64 121.86 1mx7 s THR 125 Ca 0.21 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.46 1mx7 s THR 125 Cb -0.14 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 1mx7 s THR 125 CO 0.08 0.41 0.30 0.00 -0.69 0.00 0.00 174.62 174.71 1mx7 s LYS 127 N -3.27 0.78 -0.03 0.00 1.02 -0.52 -0.89 119.74 116.83 1mx7 s LYS 127 Ca 0.35 -0.97 -0.01 0.00 0.02 0.00 0.00 55.97 55.36 1mx7 s LYS 127 Cb -0.11 0.31 0.03 0.00 -0.52 0.00 0.00 37.83 37.54 1mx7 s LYS 127 CO 0.29 -0.23 0.05 -0.65 -0.92 0.00 0.00 175.35 173.89 1mx7 s GLN 128 N -3.70 -0.05 -0.50 1.68 1.11 -1.09 -0.17 119.66 116.94 1mx7 s GLN 128 Ca 0.04 0.29 -0.25 0.00 0.01 0.00 0.00 55.36 55.45 1mx7 s GLN 128 Cb 0.05 -0.36 0.03 0.00 -1.01 0.00 0.00 33.01 31.72 1mx7 s GLN 128 CO -0.10 -0.24 0.93 0.08 0.01 0.00 0.00 175.29 175.97 1mx7 s VAL 129 N 1.59 4.44 0.35 1.09 1.01 0.57 -3.40 120.40 126.06 1mx7 s VAL 129 Ca -0.03 0.55 -0.13 0.00 0.00 0.00 0.00 61.98 62.37 1mx7 s VAL 129 Cb -0.12 -4.47 -0.08 0.00 0.00 0.00 0.00 36.38 31.70 1mx7 s VAL 129 CO -0.03 -0.95 0.75 -0.36 0.00 0.00 0.00 175.10 174.51 1mx7 s PHE 130 N 3.83 3.41 -0.49 5.22 0.40 -0.63 -1.14 117.98 128.59 1mx7 s PHE 130 Ca 0.34 1.14 0.03 0.00 -0.60 0.00 0.00 56.93 57.84 1mx7 s PHE 130 Cb -0.11 -2.49 0.15 0.00 0.51 0.00 0.00 43.02 41.08 1mx7 s PHE 130 CO 0.23 0.01 0.31 0.21 0.70 0.00 0.00 175.22 176.69 1mx7 s LYS 131 N -3.34 1.42 -0.46 0.44 2.47 -1.25 -3.43 119.74 115.59 1mx7 s LYS 131 Ca 0.53 -2.28 -0.29 0.00 -1.56 0.00 0.00 55.97 52.36 1mx7 s LYS 131 Cb -0.10 -2.32 -0.09 0.00 -1.46 0.00 0.00 37.83 33.85 1mx7 s LYS 131 CO 0.23 -1.24 2.36 1.63 0.16 0.00 0.00 175.35 178.49 1mx7 n LYS 132 N 3.08 1.13 0.19 4.03 4.76 -1.17 -3.23 118.16 126.95 1mx7 n LYS 132 Ca 0.16 0.18 0.07 0.00 -2.87 0.00 0.00 58.31 55.85 1mx7 n LYS 132 Cb 0.38 -2.94 0.32 0.00 -1.84 0.00 0.00 35.03 30.94 1mx7 n LYS 132 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 1mx7 h VAL 133 N 7.48 0.70 0.00 -0.18 3.04 -0.32 -3.48 116.25 123.50 1mx7 h VAL 133 Ca -0.26 -1.48 0.00 0.00 -1.01 0.00 0.00 66.70 63.95 1mx7 h VAL 133 Cb 1.28 1.97 0.00 0.00 -2.01 0.00 0.00 31.29 32.53 1mx7 h VAL 133 CO 1.11 0.32 0.00 1.57 -1.01 0.00 0.00 177.57 179.56