#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mx7 s VAL 2 N 0.00 2.09 -0.11 -1.45 0.11 -1.26 -5.09 120.40 114.69 1mx7 s VAL 2 Ca 0.00 -2.41 -0.32 0.00 -2.93 0.00 0.00 61.98 56.31 1mx7 s VAL 2 Cb 0.00 -2.53 -0.10 0.00 -1.53 0.00 0.00 36.38 32.22 1mx7 s VAL 2 CO 0.00 -0.67 2.00 0.47 -3.33 0.00 0.00 175.10 173.57 1mx7 n ASP 3 N 4.08 3.44 -1.08 3.54 8.00 -1.26 -4.88 116.55 128.38 1mx7 n ASP 3 Ca 0.04 0.76 -0.02 0.00 0.71 0.00 0.00 54.79 56.28 1mx7 n ASP 3 Cb 0.40 -1.43 0.08 0.00 -0.02 0.00 0.00 41.12 40.16 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 8.08 0.69 -1.68 1.24 3.72 -1.26 -4.94 117.46 123.31 1mx7 n PHE 4 Ca 0.25 -0.49 -0.46 0.00 -0.05 0.00 0.00 57.45 56.70 1mx7 n PHE 4 Cb 0.34 -0.31 -0.04 0.00 -0.94 0.00 0.00 39.48 38.52 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 0.12 3.38 0.00 4.37 3.02 -1.26 -4.60 115.26 120.29 1mx7 n ASN 5 Ca 0.11 1.03 0.00 0.00 -0.03 0.00 0.00 54.58 55.69 1mx7 n ASN 5 Cb 0.65 -1.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.39 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 3.92 -0.73 3.62 7.41 0.00 1.00 -4.98 105.19 115.42 1mx7 n GLY 6 Ca 0.19 -1.18 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 1mx7 n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mx7 s TYR 7 N -2.99 2.14 -0.30 1.61 1.51 -1.26 -1.37 117.35 116.70 1mx7 s TYR 7 Ca 0.00 -0.88 -0.05 0.00 -1.01 0.00 0.00 57.07 55.14 1mx7 s TYR 7 Cb 0.00 -1.57 0.19 0.00 -0.11 0.00 0.00 41.96 40.47 1mx7 s TYR 7 CO 0.00 0.22 0.88 -1.58 -1.11 0.00 0.00 175.55 173.96 1mx7 s TRP 8 N -2.93 -0.97 0.31 2.71 0.51 0.14 -4.46 118.94 114.26 1mx7 s TRP 8 Ca 0.26 0.51 -0.20 0.00 -2.12 0.00 0.00 56.10 54.55 1mx7 s TRP 8 Cb 0.07 0.17 -0.09 0.00 -0.81 0.00 0.00 33.47 32.80 1mx7 s TRP 8 CO 0.13 -0.58 0.81 -1.59 -0.51 0.00 0.00 176.95 175.22 1mx7 s LYS 9 N 2.77 4.25 -0.10 4.98 -2.85 -1.22 -0.31 119.74 127.27 1mx7 s LYS 9 Ca 0.21 0.95 -0.16 0.00 -1.00 0.00 0.00 55.97 55.97 1mx7 s LYS 9 Cb -0.04 -2.62 -0.05 0.00 -2.06 0.00 0.00 37.83 33.07 1mx7 s LYS 9 CO -0.22 0.23 0.41 0.00 0.10 0.00 0.00 175.35 175.87 1mx7 s MET 10 N -2.48 4.22 -0.13 1.78 0.00 -1.26 -2.13 119.30 119.30 1mx7 s MET 10 Ca 0.51 0.34 -0.15 0.00 0.00 0.00 0.00 55.69 56.39 1mx7 s MET 10 Cb -0.14 -3.38 -0.13 0.00 0.00 0.00 0.00 34.83 31.18 1mx7 s MET 10 CO 0.19 0.31 0.35 1.25 0.00 0.00 0.00 175.02 177.12 1mx7 h LEU 11 N 6.23 0.00 -7.09 0.18 7.12 -0.69 -3.48 115.31 117.57 1mx7 h LEU 11 Ca -0.44 -0.48 -0.04 0.00 0.13 0.00 0.00 57.88 57.06 1mx7 h LEU 11 Cb 1.18 0.00 -0.23 0.00 -0.53 0.00 0.00 40.66 41.08 1mx7 h LEU 11 CO 0.72 0.79 -0.11 -0.44 -0.13 0.00 0.00 178.44 179.27 1mx7 s SER 12 N -5.92 -0.76 0.43 1.25 0.01 -1.17 -5.01 113.70 102.53 1mx7 s SER 12 Ca -0.11 1.25 0.06 0.00 1.31 0.00 0.00 55.95 58.47 1mx7 s SER 12 Cb -0.01 1.14 -0.05 0.00 0.21 0.00 0.00 66.02 67.31 1mx7 s SER 12 CO 0.35 -0.22 0.12 0.54 0.41 0.00 0.00 173.24 174.44 1mx7 s ASN 13 N 1.44 4.24 0.17 2.44 2.20 -1.26 -1.61 114.94 122.56 1mx7 s ASN 13 Ca -0.09 -1.24 0.00 0.00 -0.94 0.00 0.00 52.86 50.59 1mx7 s ASN 13 Cb -0.06 -0.30 0.00 0.00 -2.00 0.00 0.00 41.25 38.89 1mx7 s ASN 13 CO -0.16 -0.58 0.00 -0.62 -2.94 0.00 0.00 177.10 172.80 1mx7 n GLU 14 N -1.19 0.00 -1.66 3.55 1.02 -1.20 -4.94 120.64 116.22 1mx7 n GLU 14 Ca -0.04 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.79 1mx7 n GLU 14 Cb 0.66 -0.09 -0.03 0.00 -0.02 0.00 0.00 31.44 31.96 1mx7 n GLU 14 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1mx7 n ASN 15 N -3.18 6.85 -0.03 1.62 2.85 -1.26 -4.68 115.26 117.43 1mx7 n ASN 15 Ca 0.00 -3.35 -0.13 0.00 -0.11 0.00 0.00 54.58 50.98 1mx7 n ASN 15 Cb 0.03 -1.21 -0.10 0.00 1.24 0.00 0.00 39.78 39.74 1mx7 n ASN 15 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1mx7 h PHE 16 N 3.16 0.05 -0.19 1.20 3.57 -1.94 -2.71 116.94 120.07 1mx7 h PHE 16 Ca 0.46 -0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.74 1mx7 h PHE 16 Cb 0.52 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1mx7 h PHE 16 CO 1.41 0.61 -0.69 0.93 -2.23 0.00 0.00 178.31 178.34 1mx7 h GLU 17 N -0.53 0.76 0.00 1.11 3.07 -1.93 -3.00 114.58 114.05 1mx7 h GLU 17 Ca 0.00 -0.57 -0.05 0.00 -0.50 0.00 0.00 59.36 58.24 1mx7 h GLU 17 Cb 0.61 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 1mx7 h GLU 17 CO 0.01 1.19 -0.23 0.93 -1.40 0.00 0.00 179.01 179.50 1mx7 h GLU 18 N 0.54 0.00 -0.06 2.33 3.07 -1.93 -1.35 114.58 117.19 1mx7 h GLU 18 Ca -0.03 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.66 1mx7 h GLU 18 Cb 1.30 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.22 1mx7 h GLU 18 CO 0.14 0.23 -0.66 -0.92 -1.40 0.00 0.00 179.01 176.41 1mx7 h TYR 19 N 0.00 0.77 0.00 4.33 3.20 -1.46 -0.77 116.97 123.04 1mx7 h TYR 19 Ca -0.00 -0.38 -0.00 0.00 3.14 0.00 0.00 58.73 61.49 1mx7 h TYR 19 Cb 0.68 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 1mx7 h TYR 19 CO 0.00 1.19 -0.01 -0.07 -1.64 0.00 0.00 178.16 177.63 1mx7 h LEU 20 N 0.14 0.00 -0.03 2.82 3.38 -1.38 -2.71 115.31 117.53 1mx7 h LEU 20 Ca -0.07 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.72 1mx7 h LEU 20 Cb 1.32 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.05 1mx7 h LEU 20 CO 0.13 0.01 -0.90 -0.09 0.09 0.00 0.00 178.44 177.69 1mx7 h ARG 21 N 0.00 0.00 0.00 1.13 1.12 -1.16 -1.85 114.38 113.63 1mx7 h ARG 21 Ca -0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.84 1mx7 h ARG 21 Cb 0.80 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.76 1mx7 h ARG 21 CO 0.00 0.90 -0.14 0.00 -3.11 0.00 0.00 179.97 177.62 1mx7 h ALA 22 N 1.10 1.09 0.00 2.80 0.00 -0.79 -2.94 119.26 120.51 1mx7 h ALA 22 Ca -0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1mx7 h ALA 22 Cb 1.68 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1mx7 h ALA 22 CO 0.12 0.18 -1.95 1.28 0.00 0.00 0.00 179.25 178.88 1mx7 n LEU 23 N -3.39 0.00 -2.27 0.00 4.77 -1.21 -4.84 117.00 110.07 1mx7 n LEU 23 Ca -0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.93 1mx7 n LEU 23 Cb 0.33 0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1mx7 n LEU 23 CO 0.31 0.08 0.07 0.47 -1.33 0.00 0.00 177.39 176.99 1mx7 n ASP 24 N -2.26 -4.33 -4.96 -1.43 8.00 -0.72 -4.97 116.55 105.87 1mx7 n ASP 24 Ca -0.08 -0.21 -0.22 0.00 0.71 0.00 0.00 54.79 54.98 1mx7 n ASP 24 Cb 0.61 -2.78 0.02 0.00 -0.02 0.00 0.00 41.12 38.96 1mx7 n ASP 24 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1mx7 s VAL 25 N -3.11 3.33 0.94 2.53 0.11 -1.07 -4.97 120.40 118.15 1mx7 s VAL 25 Ca 0.13 -0.57 -0.16 0.00 -2.93 0.00 0.00 61.98 58.45 1mx7 s VAL 25 Cb -0.02 -3.24 -0.10 0.00 -1.53 0.00 0.00 36.38 31.50 1mx7 s VAL 25 CO 0.34 -0.17 -0.39 -3.20 -3.33 0.00 0.00 175.10 168.35 1mx7 n ASN 26 N -2.22 -4.66 0.06 3.54 5.15 -1.26 -4.88 115.26 110.99 1mx7 n ASN 26 Ca 0.05 0.27 -0.21 0.00 -0.60 0.00 0.00 54.58 54.09 1mx7 n ASN 26 Cb 0.59 -0.90 -0.12 0.00 -0.53 0.00 0.00 39.78 38.81 1mx7 n ASN 26 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1mx7 h VAL 27 N -1.04 1.31 -0.13 3.44 2.07 -2.00 -3.09 116.25 116.81 1mx7 h VAL 27 Ca -0.44 -2.35 -0.14 0.00 0.82 0.00 0.00 66.70 64.59 1mx7 h VAL 27 Cb 1.31 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 33.70 1mx7 h VAL 27 CO 0.28 0.71 -0.52 0.00 0.02 0.00 0.00 177.57 178.06 1mx7 h ALA 28 N 0.31 0.87 0.00 1.67 0.00 -2.01 -3.08 119.26 117.03 1mx7 h ALA 28 Ca -0.16 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.17 1mx7 h ALA 28 Cb 1.76 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1mx7 h ALA 28 CO 0.21 0.68 -0.43 1.25 0.00 0.00 0.00 179.25 180.96 1mx7 h LEU 29 N 0.28 0.00 -0.53 0.00 6.46 -1.94 -2.70 115.31 116.89 1mx7 h LEU 29 Ca 0.01 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.61 1mx7 h LEU 29 Cb 1.01 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.92 1mx7 h LEU 29 CO 0.09 0.43 -0.73 0.08 -0.62 0.00 0.00 178.44 177.69 1mx7 h ARG 30 N 0.00 0.11 0.13 1.25 -0.00 -1.45 -1.57 114.38 112.84 1mx7 h ARG 30 Ca -0.00 -0.09 -0.27 0.00 -0.00 0.00 0.00 59.98 59.61 1mx7 h ARG 30 Cb 0.94 0.02 0.03 0.00 -0.00 0.00 0.00 29.97 30.96 1mx7 h ARG 30 CO 0.06 0.78 -1.13 -0.22 -0.00 0.00 0.00 179.97 179.45 1mx7 h LYS 31 N 0.07 0.54 -0.02 0.08 3.64 -1.48 -3.11 116.57 116.29 1mx7 h LYS 31 Ca -0.02 -0.75 -0.14 0.00 -1.27 0.00 0.00 60.65 58.47 1mx7 h LYS 31 Cb 1.28 0.26 0.01 0.00 -0.41 0.00 0.00 32.23 33.37 1mx7 h LYS 31 CO 0.10 1.34 -0.55 0.82 -2.27 0.00 0.00 179.45 178.89 1mx7 h ILE 32 N 0.11 1.43 0.00 2.00 2.04 -1.55 -3.25 117.51 118.29 1mx7 h ILE 32 Ca -0.18 -2.02 -0.01 0.00 1.00 0.00 0.00 64.86 63.65 1mx7 h ILE 32 Cb 1.84 2.55 -0.00 0.00 -0.74 0.00 0.00 36.82 40.47 1mx7 h ILE 32 CO 0.22 0.59 -0.04 0.00 0.00 0.00 0.00 178.15 178.91 1mx7 h ALA 33 N 0.34 1.19 -0.00 1.87 0.00 -1.43 -2.00 119.26 119.22 1mx7 h ALA 33 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1mx7 h ALA 33 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1mx7 h ALA 33 CO 0.11 0.05 -0.03 -1.71 0.00 0.00 0.00 179.25 177.67 1mx7 n ASN 34 N -3.41 0.12 -1.43 0.00 5.15 -1.17 -3.57 115.26 110.95 1mx7 n ASN 34 Ca -0.02 -0.28 0.10 0.00 -0.60 0.00 0.00 54.58 53.78 1mx7 n ASN 34 Cb 0.16 -0.22 0.33 0.00 -0.53 0.00 0.00 39.78 39.53 1mx7 n ASN 34 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1mx7 n LEU 35 N -1.20 4.36 -4.29 1.20 7.99 -0.75 -4.98 117.00 119.33 1mx7 n LEU 35 Ca 0.15 -2.29 -0.17 0.00 -0.01 0.00 0.00 56.01 53.69 1mx7 n LEU 35 Cb 0.25 -0.53 -0.09 0.00 -0.11 0.00 0.00 43.42 42.94 1mx7 n LEU 35 CO 0.23 0.86 -0.21 -1.48 -1.51 0.00 0.00 177.39 175.29 1mx7 s LEU 36 N -1.55 1.53 -0.30 2.23 -0.00 -1.23 -5.14 118.68 114.23 1mx7 s LEU 36 Ca 0.48 -1.50 0.01 0.00 -0.00 0.00 0.00 54.13 53.12 1mx7 s LEU 36 Cb 0.29 0.25 0.09 0.00 -0.00 0.00 0.00 46.19 46.83 1mx7 s LEU 36 CO 0.26 -0.87 0.06 -0.54 -0.00 0.00 0.00 176.35 175.26 1mx7 s LYS 37 N -3.91 1.06 -0.85 1.48 1.02 -1.26 -5.05 119.74 112.24 1mx7 s LYS 37 Ca 0.37 -1.23 -0.24 0.00 0.02 0.00 0.00 55.97 54.90 1mx7 s LYS 37 Cb 0.06 -2.41 -0.18 0.00 -0.52 0.00 0.00 37.83 34.78 1mx7 s LYS 37 CO 0.16 -0.89 2.29 -2.30 -0.92 0.00 0.00 175.35 173.69 1mx7 n PRO 38 N 4.67 0.39 -1.54 -1.68 -0.02 -1.26 -4.68 135.00 130.88 1mx7 n PRO 38 Ca -0.03 -0.94 -0.35 0.00 -2.02 0.00 0.00 63.50 60.17 1mx7 n PRO 38 Cb 0.43 -3.43 0.08 0.00 -0.02 0.00 0.00 33.50 30.56 1mx7 n PRO 38 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1mx7 s ASP 39 N 9.10 4.33 0.20 2.55 1.47 -1.26 -4.79 116.67 128.27 1mx7 s ASP 39 Ca 0.92 2.46 0.07 0.00 1.18 0.00 0.00 52.55 57.17 1mx7 s ASP 39 Cb -0.18 -2.60 -0.04 0.00 -0.34 0.00 0.00 42.92 39.76 1mx7 s ASP 39 CO 0.15 -2.18 0.07 -0.75 0.68 0.00 0.00 175.17 173.14 1mx7 s LYS 40 N -3.70 2.63 -0.27 2.11 2.20 0.58 -1.72 119.74 121.57 1mx7 s LYS 40 Ca 0.77 -1.07 -0.00 0.00 -0.36 0.00 0.00 55.97 55.31 1mx7 s LYS 40 Cb -0.32 -2.45 0.14 0.00 -1.51 0.00 0.00 37.83 33.69 1mx7 s LYS 40 CO 0.43 0.44 0.35 -2.00 -0.36 0.00 0.00 175.35 174.21 1mx7 s GLU 41 N -3.25 0.35 -0.16 4.03 -6.30 -1.13 -0.68 118.70 111.56 1mx7 s GLU 41 Ca 0.30 0.13 -0.08 0.00 -2.50 0.00 0.00 54.97 52.82 1mx7 s GLU 41 Cb -0.09 -0.54 -0.04 0.00 0.00 0.00 0.00 34.13 33.46 1mx7 s GLU 41 CO 0.21 -0.92 0.10 0.42 0.02 0.00 0.00 175.26 175.10 1mx7 s ILE 42 N 2.46 5.17 -0.37 -3.70 1.01 -0.47 -2.18 121.20 123.12 1mx7 s ILE 42 Ca 0.10 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.85 1mx7 s ILE 42 Cb -0.14 -3.30 0.14 0.00 0.01 0.00 0.00 42.46 39.17 1mx7 s ILE 42 CO -0.27 0.52 0.21 -0.69 0.00 0.00 0.00 174.94 174.71 1mx7 s VAL 43 N -0.18 0.53 -0.15 2.92 1.01 -1.11 -0.00 120.40 123.41 1mx7 s VAL 43 Ca 0.09 -1.91 -0.20 0.00 0.00 0.00 0.00 61.98 59.96 1mx7 s VAL 43 Cb -0.12 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 1mx7 s VAL 43 CO 0.01 -0.94 0.57 -1.58 0.00 0.00 0.00 175.10 173.16 1mx7 s GLN 44 N 0.91 4.29 0.02 2.72 0.74 -1.26 -3.51 119.66 123.57 1mx7 s GLN 44 Ca 0.17 0.57 0.21 0.00 0.05 0.00 0.00 55.36 56.36 1mx7 s GLN 44 Cb -0.23 -3.51 -0.21 0.00 1.10 0.00 0.00 33.01 30.17 1mx7 s GLN 44 CO -0.01 -0.05 0.62 -0.25 -0.55 0.00 0.00 175.29 175.06 1mx7 n ASP 45 N 4.35 0.37 0.00 6.67 9.92 -1.09 -4.84 116.55 131.94 1mx7 n ASP 45 Ca -0.04 0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1mx7 n ASP 45 Cb 0.51 1.13 0.00 0.00 -0.64 0.00 0.00 41.12 42.12 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 1.33 0.61 0.54 0.44 0.00 -1.26 -4.84 105.19 102.01 1mx7 n GLY 46 Ca -0.08 -0.85 0.36 0.00 0.00 0.00 0.00 46.02 45.45 1mx7 n GLY 46 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mx7 h ASP 47 N 0.00 0.05 -3.36 1.61 5.19 -1.96 -3.36 116.42 114.59 1mx7 h ASP 47 Ca 0.00 0.01 -0.61 0.00 -0.62 0.00 0.00 57.03 55.81 1mx7 h ASP 47 Cb 0.00 0.01 -0.15 0.00 0.18 0.00 0.00 39.33 39.36 1mx7 h ASP 47 CO 0.00 0.00 -0.54 -1.00 -3.12 0.00 0.00 179.24 174.58 1mx7 s HIS 48 N -5.00 3.29 0.01 4.55 3.76 -1.26 -2.57 115.29 118.07 1mx7 s HIS 48 Ca -0.05 0.13 0.08 0.00 -0.15 0.00 0.00 55.06 55.06 1mx7 s HIS 48 Cb 0.24 -2.14 -0.02 0.00 1.11 0.00 0.00 32.58 31.76 1mx7 s HIS 48 CO 0.82 0.14 -0.23 1.41 -0.85 0.00 0.00 174.74 176.02 1mx7 s MET 49 N 0.57 1.75 -0.09 1.40 0.00 0.18 -2.65 119.30 120.46 1mx7 s MET 49 Ca 0.05 -0.92 -0.00 0.00 0.00 0.00 0.00 55.69 54.82 1mx7 s MET 49 Cb -0.12 -1.79 0.02 0.00 0.00 0.00 0.00 34.83 32.94 1mx7 s MET 49 CO 0.01 0.48 -0.06 0.42 0.00 0.00 0.00 175.02 175.86 1mx7 s ILE 50 N -0.66 0.84 -0.15 10.11 1.01 -1.23 -0.43 121.20 130.68 1mx7 s ILE 50 Ca 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1mx7 s ILE 50 Cb -0.09 -0.88 -0.00 0.00 0.01 0.00 0.00 42.46 41.50 1mx7 s ILE 50 CO 0.00 0.33 -0.15 -0.63 0.00 0.00 0.00 174.94 174.49 1mx7 s ILE 51 N 1.60 2.70 -0.43 2.92 1.09 -1.01 -2.75 121.20 125.31 1mx7 s ILE 51 Ca 0.02 -0.76 0.04 0.00 -1.10 0.00 0.00 60.65 58.84 1mx7 s ILE 51 Cb -0.13 -2.14 0.12 0.00 -1.06 0.00 0.00 42.46 39.25 1mx7 s ILE 51 CO -0.06 0.52 0.16 -0.13 -0.10 0.00 0.00 174.94 175.33 1mx7 s ARG 52 N 0.76 1.72 -0.39 2.79 0.52 -0.93 -0.98 118.95 122.45 1mx7 s ARG 52 Ca -0.06 -2.25 -0.27 0.00 -0.52 0.00 0.00 55.73 52.64 1mx7 s ARG 52 Cb -0.15 -3.25 0.02 0.00 0.52 0.00 0.00 34.95 32.09 1mx7 s ARG 52 CO 0.01 -1.03 0.97 0.99 0.02 0.00 0.00 175.30 176.26 1mx7 s THR 53 N 0.31 4.51 -0.68 0.02 2.01 -1.09 -2.85 115.64 117.88 1mx7 s THR 53 Ca 0.14 1.21 -0.12 0.00 0.31 0.00 0.00 61.69 63.23 1mx7 s THR 53 Cb -0.23 -4.39 0.18 0.00 0.01 0.00 0.00 72.50 68.07 1mx7 s THR 53 CO -0.04 -0.63 0.60 -0.76 -0.69 0.00 0.00 174.62 173.10 1mx7 s LEU 54 N 3.66 6.26 -0.18 4.42 1.02 -0.70 -3.05 118.68 130.11 1mx7 s LEU 54 Ca 0.40 -2.38 -0.09 0.00 0.02 0.00 0.00 54.13 52.07 1mx7 s LEU 54 Cb -0.11 -2.13 -0.05 0.00 0.02 0.00 0.00 46.19 43.92 1mx7 s LEU 54 CO 0.21 -0.63 0.13 -0.55 0.02 0.00 0.00 176.35 175.53 1mx7 s SER 55 N 2.38 6.21 0.56 2.29 0.15 -1.24 -4.09 113.70 119.96 1mx7 s SER 55 Ca 0.12 0.27 0.36 0.00 0.70 0.00 0.00 55.95 57.40 1mx7 s SER 55 Cb -0.19 -2.08 1.48 0.00 -1.71 0.00 0.00 66.02 63.53 1mx7 s SER 55 CO -0.04 0.23 1.73 0.71 1.20 0.00 0.00 173.24 177.06 1mx7 h THR 56 N 4.54 0.29 -3.28 6.45 1.35 -1.96 -3.25 112.91 117.05 1mx7 h THR 56 Ca -0.44 0.00 -0.73 0.00 -0.55 0.00 0.00 66.41 64.69 1mx7 h THR 56 Cb 1.17 0.34 -0.29 0.00 -1.73 0.00 0.00 68.15 67.64 1mx7 h THR 56 CO 0.72 0.00 -0.36 0.12 -0.25 0.00 0.00 175.52 175.75 1mx7 s PHE 57 N -4.81 3.41 0.37 4.73 5.36 -1.26 -4.97 117.98 120.82 1mx7 s PHE 57 Ca -0.05 -1.82 0.00 0.00 -0.96 0.00 0.00 56.93 54.11 1mx7 s PHE 57 Cb 0.21 -3.54 0.00 0.00 -0.34 0.00 0.00 43.02 39.35 1mx7 s PHE 57 CO 0.72 -1.00 0.00 -2.13 -1.46 0.00 0.00 175.22 171.36 1mx7 n ARG 58 N 4.92 -2.61 -4.13 10.12 0.63 -1.23 -5.00 116.66 119.37 1mx7 n ARG 58 Ca -0.08 2.02 -0.30 0.00 -0.92 0.00 0.00 57.85 58.57 1mx7 n ARG 58 Cb 0.41 -2.52 -0.08 0.00 0.45 0.00 0.00 32.46 30.71 1mx7 n ARG 58 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1mx7 s ASN 59 N -4.47 5.04 -0.41 6.15 -0.87 -1.26 -3.66 114.94 115.46 1mx7 s ASN 59 Ca 0.00 -0.18 0.02 0.00 -1.57 0.00 0.00 52.86 51.13 1mx7 s ASN 59 Cb 0.00 -1.20 0.16 0.00 -0.02 0.00 0.00 41.25 40.19 1mx7 s ASN 59 CO 0.00 0.17 0.29 -0.47 -2.57 0.00 0.00 177.10 174.52 1mx7 s TYR 60 N -1.35 1.20 0.20 2.20 5.04 -1.17 -5.05 117.35 118.43 1mx7 s TYR 60 Ca 0.26 -2.15 0.05 0.00 -2.44 0.00 0.00 57.07 52.79 1mx7 s TYR 60 Cb -0.12 -1.13 -0.03 0.00 0.35 0.00 0.00 41.96 41.03 1mx7 s TYR 60 CO 0.19 -0.81 0.24 0.96 -1.34 0.00 0.00 175.55 174.79 1mx7 s ILE 61 N 0.36 4.86 0.10 3.14 -0.00 -1.26 -2.66 121.20 125.74 1mx7 s ILE 61 Ca 0.25 -1.04 0.02 0.00 -0.00 0.00 0.00 60.65 59.89 1mx7 s ILE 61 Cb -0.09 -3.56 -0.04 0.00 -0.00 0.00 0.00 42.46 38.76 1mx7 s ILE 61 CO -0.10 -0.21 -0.08 -0.04 -0.00 0.00 0.00 174.94 174.51 1mx7 s MET 62 N -3.52 0.86 -0.32 0.37 -1.94 -0.15 -5.02 119.30 109.58 1mx7 s MET 62 Ca 0.33 -1.30 0.00 0.00 -1.71 0.00 0.00 55.69 53.01 1mx7 s MET 62 Cb -0.10 -0.31 0.14 0.00 2.01 0.00 0.00 34.83 36.57 1mx7 s MET 62 CO 0.26 0.01 0.29 0.34 -0.01 0.00 0.00 175.02 175.91 1mx7 s ASP 63 N -2.92 1.94 0.32 3.03 2.15 -1.26 -2.40 116.67 117.52 1mx7 s ASP 63 Ca 0.11 -1.26 0.10 0.00 0.43 0.00 0.00 52.55 51.92 1mx7 s ASP 63 Cb 0.03 0.29 -0.05 0.00 -0.30 0.00 0.00 42.92 42.89 1mx7 s ASP 63 CO -0.03 -0.35 -0.04 -0.36 -0.17 0.00 0.00 175.17 174.22 1mx7 s PHE 64 N 1.88 2.50 -0.23 -5.34 0.40 0.43 -4.97 117.98 112.66 1mx7 s PHE 64 Ca 0.13 -0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 56.06 1mx7 s PHE 64 Cb -0.16 -1.35 0.03 0.00 0.51 0.00 0.00 43.02 42.05 1mx7 s PHE 64 CO -0.20 0.55 -0.11 -0.65 0.70 0.00 0.00 175.22 175.51 1mx7 s GLN 65 N -3.66 2.84 0.31 0.44 -0.21 -1.26 0.52 119.66 118.64 1mx7 s GLN 65 Ca 0.33 -0.96 -0.29 0.00 0.02 0.00 0.00 55.36 54.46 1mx7 s GLN 65 Cb -0.01 -2.84 -0.10 0.00 1.00 0.00 0.00 33.01 31.06 1mx7 s GLN 65 CO 0.18 -0.35 1.32 0.08 -2.12 0.00 0.00 175.29 174.41 1mx7 s VAL 66 N 1.29 2.75 -1.42 1.09 1.01 -1.06 -2.81 120.40 121.24 1mx7 s VAL 66 Ca 0.01 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.71 1mx7 s VAL 66 Cb -0.16 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1mx7 s VAL 66 CO -0.07 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.80 1mx7 n GLY 67 N 1.08 0.74 3.10 4.51 0.00 -0.25 -4.98 105.19 109.40 1mx7 n GLY 67 Ca 0.01 -0.31 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.90 0.60 0.91 1.61 1.02 -1.12 -5.00 119.74 113.86 1mx7 s LYS 68 Ca 0.00 -1.06 -0.12 0.00 0.02 0.00 0.00 55.97 54.81 1mx7 s LYS 68 Cb 0.00 0.22 0.13 0.00 -0.52 0.00 0.00 37.83 37.66 1mx7 s LYS 68 CO 0.00 -0.13 1.11 -2.00 -0.92 0.00 0.00 175.35 173.41 1mx7 s GLU 69 N -3.47 1.18 0.21 1.68 2.12 -1.26 -3.51 118.70 115.65 1mx7 s GLU 69 Ca 0.03 0.51 -0.06 0.00 0.36 0.00 0.00 54.97 55.81 1mx7 s GLU 69 Cb 0.04 -1.82 0.03 0.00 0.26 0.00 0.00 34.13 32.64 1mx7 s GLU 69 CO -0.08 -2.22 0.39 0.34 -0.54 0.00 0.00 175.26 173.14 1mx7 n PHE 70 N -3.82 -1.57 -3.62 5.30 7.35 -0.59 -4.88 117.46 115.62 1mx7 n PHE 70 Ca 0.06 -1.06 -0.04 0.00 -0.76 0.00 0.00 57.45 55.65 1mx7 n PHE 70 Cb 0.57 0.45 -0.06 0.00 0.35 0.00 0.00 39.48 40.80 1mx7 n PHE 70 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1mx7 s GLU 71 N -2.13 0.57 0.40 -4.13 2.12 -1.26 -3.34 118.70 110.92 1mx7 s GLU 71 Ca 0.10 1.09 0.07 0.00 0.36 0.00 0.00 54.97 56.59 1mx7 s GLU 71 Cb -0.02 0.27 -0.08 0.00 0.26 0.00 0.00 34.13 34.56 1mx7 s GLU 71 CO 0.07 -0.14 0.00 -1.21 -0.54 0.00 0.00 175.26 173.45 1mx7 s GLU 72 N 1.84 1.94 -0.02 4.30 2.02 -0.65 -4.97 118.70 123.17 1mx7 s GLU 72 Ca -0.08 -2.09 0.21 0.00 0.02 0.00 0.00 54.97 53.03 1mx7 s GLU 72 Cb -0.06 -1.63 -0.28 0.00 0.10 0.00 0.00 34.13 32.26 1mx7 s GLU 72 CO -0.18 -0.03 0.67 -0.25 0.02 0.00 0.00 175.26 175.48 1mx7 n ASP 73 N -0.95 0.50 -2.04 -0.19 8.00 -1.26 -2.95 116.55 117.66 1mx7 n ASP 73 Ca -0.05 -0.47 -0.09 0.00 0.71 0.00 0.00 54.79 54.89 1mx7 n ASP 73 Cb 0.67 1.52 -0.03 0.00 -0.02 0.00 0.00 41.12 43.25 1mx7 n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mx7 n LEU 74 N -1.89 0.00 0.00 0.64 -0.00 -1.26 -3.82 117.00 110.67 1mx7 n LEU 74 Ca -0.00 -1.48 0.00 0.00 -0.00 0.00 0.00 56.01 54.52 1mx7 n LEU 74 Cb 0.45 0.88 0.00 0.00 -0.00 0.00 0.00 43.42 44.76 1mx7 n LEU 74 CO 0.44 -0.26 0.00 1.07 -0.00 0.00 0.00 177.39 178.64 1mx7 n THR 75 N -0.30 0.00 -3.50 1.47 5.66 -1.26 -4.62 114.28 111.73 1mx7 n THR 75 Ca 0.03 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.76 1mx7 n THR 75 Cb 0.29 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.97 1mx7 n THR 75 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1mx7 n GLY 76 N 0.97 3.28 5.03 1.09 0.00 -1.26 -4.94 105.19 109.37 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 1.96 0.00 -0.45 -0.61 5.41 -1.26 -4.05 119.36 120.36 1mx7 n ILE 77 Ca 0.25 0.00 0.41 0.00 1.00 0.00 0.00 62.75 64.42 1mx7 n ILE 77 Cb 0.44 0.00 0.77 0.00 -0.71 0.00 0.00 39.64 40.14 1mx7 n ILE 77 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1mx7 h ASP 78 N 0.00 0.00 -3.01 4.38 3.58 -1.93 -3.47 116.42 115.98 1mx7 h ASP 78 Ca 0.00 0.00 0.31 0.00 0.42 0.00 0.00 57.03 57.76 1mx7 h ASP 78 Cb 0.00 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 40.92 1mx7 h ASP 78 CO 0.00 0.00 -0.80 -0.90 -2.88 0.00 0.00 179.24 174.66 1mx7 n ASP 79 N -4.06 -7.15 0.00 2.28 5.68 -1.26 -4.99 116.55 107.05 1mx7 n ASP 79 Ca 0.32 0.91 0.00 0.00 -0.50 0.00 0.00 54.79 55.51 1mx7 n ASP 79 Cb 1.51 -4.21 0.00 0.00 -1.14 0.00 0.00 41.12 37.29 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 -3.95 0.00 -1.70 0.11 0.63 -1.25 -4.79 116.66 105.71 1mx7 n ARG 80 Ca -0.04 0.00 -0.58 0.00 -0.92 0.00 0.00 57.85 56.32 1mx7 n ARG 80 Cb 0.64 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.48 1mx7 n ARG 80 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1mx7 n LYS 81 N 0.00 1.08 -4.33 -0.14 5.02 -1.25 -4.39 118.16 114.15 1mx7 n LYS 81 Ca 0.00 0.40 -0.17 0.00 -2.02 0.00 0.00 58.31 56.51 1mx7 n LYS 81 Cb 0.00 -2.06 -0.10 0.00 -0.02 0.00 0.00 35.03 32.84 1mx7 n LYS 81 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mx7 s MET 83 N -3.99 1.12 -0.19 0.00 1.00 -1.25 -1.64 119.30 114.34 1mx7 s MET 83 Ca 0.37 -1.54 -0.10 0.00 0.00 0.00 0.00 55.69 54.42 1mx7 s MET 83 Cb 0.08 -2.54 -0.05 0.00 0.00 0.00 0.00 34.83 32.32 1mx7 s MET 83 CO 0.14 -0.99 0.13 0.99 0.00 0.00 0.00 175.02 175.29 1mx7 s THR 84 N 1.13 5.42 -0.13 2.05 2.01 -1.21 -1.52 115.64 123.38 1mx7 s THR 84 Ca 0.11 0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.32 1mx7 s THR 84 Cb -0.19 -3.46 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 1mx7 s THR 84 CO -0.15 0.46 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.19 1mx7 s THR 85 N 0.19 2.75 -0.19 -0.82 2.01 -1.26 -1.55 115.64 116.77 1mx7 s THR 85 Ca 0.09 -0.76 -0.06 0.00 0.31 0.00 0.00 61.69 61.26 1mx7 s THR 85 Cb -0.11 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.23 1mx7 s THR 85 CO -0.01 0.53 0.03 -0.69 -0.69 0.00 0.00 174.62 173.79 1mx7 s VAL 86 N 0.46 4.35 -0.06 3.82 1.01 -1.23 -3.93 120.40 124.82 1mx7 s VAL 86 Ca -0.11 -0.18 -0.16 0.00 0.00 0.00 0.00 61.98 61.52 1mx7 s VAL 86 Cb -0.16 -2.96 0.03 0.00 0.00 0.00 0.00 36.38 33.29 1mx7 s VAL 86 CO 0.05 0.44 0.38 -0.55 0.00 0.00 0.00 175.10 175.42 1mx7 s SER 87 N 0.69 -0.31 -0.15 3.32 0.15 -1.25 -1.09 113.70 115.07 1mx7 s SER 87 Ca 0.01 0.36 -0.14 0.00 0.70 0.00 0.00 55.95 56.88 1mx7 s SER 87 Cb -0.14 0.48 -0.05 0.00 -1.71 0.00 0.00 66.02 64.61 1mx7 s SER 87 CO 0.02 -0.38 0.31 -1.66 1.20 0.00 0.00 173.24 172.73 1mx7 s TRP 88 N -0.87 3.47 -0.12 3.44 1.48 -1.26 -2.78 118.94 122.31 1mx7 s TRP 88 Ca -0.09 0.63 -0.26 0.00 -1.06 0.00 0.00 56.10 55.32 1mx7 s TRP 88 Cb -0.04 -2.36 -0.22 0.00 -1.16 0.00 0.00 33.47 29.69 1mx7 s TRP 88 CO 0.04 0.24 0.77 0.22 -4.06 0.00 0.00 176.95 174.16 1mx7 h ASP 89 N 6.62 -0.01 0.00 -2.66 3.58 -1.97 -3.48 116.42 118.50 1mx7 h ASP 89 Ca -0.41 -0.81 0.00 0.00 0.42 0.00 0.00 57.03 56.23 1mx7 h ASP 89 Cb 1.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.22 1mx7 h ASP 89 CO 0.75 0.85 0.00 0.61 -2.88 0.00 0.00 179.24 178.57 1mx7 n GLY 90 N 1.39 -1.60 0.56 -0.78 0.00 -1.26 -4.98 105.19 98.52 1mx7 n GLY 90 Ca -0.09 0.44 0.09 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.52 3.23 -2.00 1.61 9.92 -1.26 -5.01 116.55 121.52 1mx7 n ASP 91 Ca 0.00 -2.95 -0.05 0.00 -0.53 0.00 0.00 54.79 51.26 1mx7 n ASP 91 Cb 0.00 -0.47 -0.01 0.00 -0.64 0.00 0.00 41.12 40.00 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 -0.78 0.92 -3.98 -1.24 5.02 -1.26 -4.84 118.16 112.00 1mx7 n LYS 92 Ca 0.18 -0.71 -0.17 0.00 -2.02 0.00 0.00 58.31 55.59 1mx7 n LYS 92 Cb 0.76 0.38 -0.16 0.00 -0.02 0.00 0.00 35.03 35.98 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 1.36 0.00 -0.35 0.20 -1.07 -4.10 118.68 114.72 1mx7 s LEU 93 Ca 0.04 -0.04 0.03 0.00 0.69 0.00 0.00 54.13 54.84 1mx7 s LEU 93 Cb 0.00 -0.23 -0.01 0.00 -0.43 0.00 0.00 46.19 45.52 1mx7 s LEU 93 CO 0.03 -0.07 0.09 0.00 -0.29 0.00 0.00 176.35 176.11 1mx7 n GLN 94 N 3.89 0.33 -3.67 1.98 10.64 -1.12 -0.78 117.38 128.65 1mx7 n GLN 94 Ca -0.24 -1.26 -0.12 0.00 -1.83 0.00 0.00 57.00 53.55 1mx7 n GLN 94 Cb 0.52 0.93 -0.08 0.00 -0.86 0.00 0.00 30.24 30.75 1mx7 n GLN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1mx7 n VAL 96 N 3.18 1.51 -1.42 0.00 0.31 -1.25 -2.27 118.33 118.39 1mx7 n VAL 96 Ca -0.16 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1mx7 n VAL 96 Cb 0.56 -2.07 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 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 -4.38 -2.37 -3.01 5.55 1.13 -1.26 -2.86 117.38 110.17 1mx7 n GLN 97 Ca -0.36 1.98 -0.44 0.00 -1.94 0.00 0.00 57.00 56.25 1mx7 n GLN 97 Cb 0.69 -2.15 0.00 0.00 0.11 0.00 0.00 30.24 28.89 1mx7 n GLN 97 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1mx7 n LYS 98 N 0.82 3.92 0.00 -1.09 5.02 -0.58 -4.75 118.16 121.50 1mx7 n LYS 98 Ca 0.00 -4.29 0.00 0.00 -2.02 0.00 0.00 58.31 52.00 1mx7 n LYS 98 Cb 0.00 -2.65 0.00 0.00 -0.02 0.00 0.00 35.03 32.36 1mx7 n LYS 98 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mx7 n GLY 99 N 2.31 0.17 0.00 0.72 0.00 -1.26 -3.80 105.19 103.33 1mx7 n GLY 99 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1mx7 n GLY 99 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1mx7 n GLU 100 N 0.00 0.00 -1.59 1.61 2.13 -1.26 -5.07 120.64 116.45 1mx7 n GLU 100 Ca 0.00 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.42 1mx7 n GLU 100 Cb 0.00 0.00 0.03 0.00 0.27 0.00 0.00 31.44 31.74 1mx7 n GLU 100 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1mx7 n LYS 101 N -1.04 1.11 -2.51 5.31 4.01 -1.26 -4.87 118.16 118.90 1mx7 n LYS 101 Ca 0.00 0.41 -0.41 0.00 -0.51 0.00 0.00 58.31 57.80 1mx7 n LYS 101 Cb 0.00 -2.04 -0.02 0.00 -0.51 0.00 0.00 35.03 32.46 1mx7 n LYS 101 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 1mx7 s GLU 102 N -2.25 3.70 0.00 1.97 -1.05 -1.26 -3.42 118.70 116.39 1mx7 s GLU 102 Ca 0.68 -1.61 0.00 0.00 -0.15 0.00 0.00 54.97 53.89 1mx7 s GLU 102 Cb -0.50 -5.45 0.00 0.00 -0.44 0.00 0.00 34.13 27.75 1mx7 s GLU 102 CO 0.53 -2.42 0.00 0.41 0.95 0.00 0.00 175.26 174.73 1mx7 n GLY 103 N 5.93 -0.66 3.40 -3.83 0.00 -1.26 -1.91 105.19 106.87 1mx7 n GLY 103 Ca 0.44 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.56 0.00 1.61 1.74 -1.22 -3.48 116.66 114.76 1mx7 n ARG 104 Ca 0.00 -0.12 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 1mx7 n ARG 104 Cb 0.00 -1.85 0.00 0.00 -1.02 0.00 0.00 32.46 29.59 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 1.55 2.64 3.81 -0.13 0.00 -1.13 -4.78 105.19 107.15 1mx7 n GLY 105 Ca 0.06 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.29 1.73 -0.30 1.61 0.51 -0.96 -2.09 118.94 117.15 1mx7 s TRP 106 Ca 0.00 -0.96 0.03 0.00 -2.12 0.00 0.00 56.10 53.05 1mx7 s TRP 106 Cb 0.00 -1.67 0.17 0.00 -0.81 0.00 0.00 33.47 31.15 1mx7 s TRP 106 CO 0.00 0.02 0.45 0.99 -0.51 0.00 0.00 176.95 177.90 1mx7 s THR 107 N -2.87 -0.69 0.04 2.01 2.01 -0.84 -2.54 115.64 112.76 1mx7 s THR 107 Ca 0.10 -0.27 -0.03 0.00 0.31 0.00 0.00 61.69 61.79 1mx7 s THR 107 Cb -0.00 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 1mx7 s THR 107 CO 0.06 -0.24 0.25 -1.10 -0.69 0.00 0.00 174.62 172.90 1mx7 s GLN 108 N 2.50 3.51 -0.29 4.92 -0.21 0.04 -0.43 119.66 129.70 1mx7 s GLN 108 Ca 0.10 -0.24 -0.16 0.00 0.02 0.00 0.00 55.36 55.08 1mx7 s GLN 108 Cb -0.12 -3.03 0.15 0.00 1.00 0.00 0.00 33.01 31.01 1mx7 s GLN 108 CO -0.27 0.61 0.98 -0.46 -2.12 0.00 0.00 175.29 174.03 1mx7 s TRP 109 N -1.43 -0.59 0.46 0.91 -0.11 -0.68 -2.60 118.94 114.91 1mx7 s TRP 109 Ca 0.32 1.15 -0.04 0.00 1.22 0.00 0.00 56.10 58.74 1mx7 s TRP 109 Cb -0.13 0.35 -0.03 0.00 -1.50 0.00 0.00 33.47 32.16 1mx7 s TRP 109 CO 0.21 -0.29 0.75 0.42 -4.62 0.00 0.00 176.95 173.42 1mx7 s ILE 110 N 1.48 4.88 -0.38 5.86 1.01 -1.26 -1.68 121.20 131.10 1mx7 s ILE 110 Ca -0.08 0.07 0.11 0.00 0.00 0.00 0.00 60.65 60.74 1mx7 s ILE 110 Cb -0.04 -3.84 0.32 0.00 0.01 0.00 0.00 42.46 38.91 1mx7 s ILE 110 CO -0.15 -0.78 0.67 -0.62 0.00 0.00 0.00 174.94 174.07 1mx7 n GLU 111 N -2.19 0.97 0.00 2.79 1.02 -1.07 -4.91 120.64 117.25 1mx7 n GLU 111 Ca -0.00 -3.38 0.00 0.00 -0.02 0.00 0.00 57.16 53.75 1mx7 n GLU 111 Cb 0.55 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 1mx7 n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mx7 n GLY 112 N 0.60 1.47 1.15 0.62 0.00 -1.26 -2.51 105.19 105.26 1mx7 n GLY 112 Ca 0.24 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.52 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 7.03 4.35 -3.78 1.61 9.92 -1.26 -4.86 116.55 129.56 1mx7 n ASP 113 Ca 0.00 -2.96 -0.30 0.00 -0.53 0.00 0.00 54.79 51.00 1mx7 n ASP 113 Cb 0.00 -0.57 -0.14 0.00 -0.64 0.00 0.00 41.12 39.76 1mx7 n ASP 113 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1mx7 s GLU 114 N -2.75 1.09 -0.02 -1.24 2.02 -1.05 0.02 118.70 116.76 1mx7 s GLU 114 Ca 0.45 -1.60 -0.30 0.00 0.02 0.00 0.00 54.97 53.54 1mx7 s GLU 114 Cb 0.36 -2.35 -0.07 0.00 0.10 0.00 0.00 34.13 32.17 1mx7 s GLU 114 CO 0.11 -1.05 1.75 -1.17 0.02 0.00 0.00 175.26 174.92 1mx7 s LEU 115 N 0.96 4.36 -0.41 1.80 0.20 -1.25 -2.61 118.68 121.73 1mx7 s LEU 115 Ca 0.13 2.37 -0.06 0.00 0.69 0.00 0.00 54.13 57.26 1mx7 s LEU 115 Cb -0.21 -3.53 0.09 0.00 -0.43 0.00 0.00 46.19 42.11 1mx7 s LEU 115 CO -0.12 -0.96 0.22 -2.28 -0.29 0.00 0.00 176.35 172.91 1mx7 s HIS 116 N 4.14 3.43 -0.27 5.38 2.46 -0.68 -1.71 115.29 128.04 1mx7 s HIS 116 Ca 0.78 -1.92 -0.05 0.00 0.47 0.00 0.00 55.06 54.33 1mx7 s HIS 116 Cb -0.36 -3.00 0.01 0.00 -0.13 0.00 0.00 32.58 29.09 1mx7 s HIS 116 CO 0.33 -0.90 0.03 -1.17 -2.47 0.00 0.00 174.74 170.56 1mx7 s LEU 117 N 1.30 3.56 -0.67 8.88 0.20 -1.16 -1.69 118.68 129.10 1mx7 s LEU 117 Ca 0.04 -0.67 -0.06 0.00 0.69 0.00 0.00 54.13 54.13 1mx7 s LEU 117 Cb -0.23 -1.82 0.17 0.00 -0.43 0.00 0.00 46.19 43.89 1mx7 s LEU 117 CO -0.01 -0.14 0.52 -1.61 -0.29 0.00 0.00 176.35 174.82 1mx7 s GLU 118 N 1.47 2.83 0.55 1.98 2.02 0.43 -1.52 118.70 126.46 1mx7 s GLU 118 Ca 0.03 -2.47 -0.16 0.00 0.02 0.00 0.00 54.97 52.39 1mx7 s GLU 118 Cb -0.17 -3.93 -0.06 0.00 0.10 0.00 0.00 34.13 30.08 1mx7 s GLU 118 CO 0.00 -1.21 1.01 1.41 0.02 0.00 0.00 175.26 176.50 1mx7 s MET 119 N 0.08 3.70 -0.01 1.61 1.75 -0.86 -1.98 119.30 123.60 1mx7 s MET 119 Ca 0.16 1.03 0.01 0.00 -1.25 0.00 0.00 55.69 55.64 1mx7 s MET 119 Cb -0.18 -2.10 0.00 0.00 2.84 0.00 0.00 34.83 35.40 1mx7 s MET 119 CO -0.05 -0.48 -0.03 1.03 -0.65 0.00 0.00 175.02 174.84 1mx7 s ARG 120 N -4.15 0.34 -0.28 4.11 1.81 -0.89 -2.32 118.95 117.58 1mx7 s ARG 120 Ca 0.60 -0.10 -0.16 0.00 -1.72 0.00 0.00 55.73 54.35 1mx7 s ARG 120 Cb -0.12 -0.37 0.09 0.00 -0.45 0.00 0.00 34.95 34.10 1mx7 s ARG 120 CO 0.35 0.04 0.72 0.00 -0.68 0.00 0.00 175.30 175.72 1mx7 s ALA 121 N 0.16 -1.92 -1.57 2.13 0.00 -1.18 -3.41 121.76 115.98 1mx7 s ALA 121 Ca -0.01 2.41 -0.01 0.00 0.00 0.00 0.00 51.96 54.34 1mx7 s ALA 121 Cb -0.04 -1.46 0.01 0.00 0.00 0.00 0.00 23.12 21.63 1mx7 s ALA 121 CO -0.00 -0.38 0.05 -1.91 0.00 0.00 0.00 175.76 173.51 1mx7 n GLU 122 N 4.26 -0.99 -1.20 0.00 2.13 -1.26 -0.18 120.64 123.40 1mx7 n GLU 122 Ca -0.20 0.10 -0.07 0.00 0.66 0.00 0.00 57.16 57.65 1mx7 n GLU 122 Cb 0.59 -3.67 -0.03 0.00 0.27 0.00 0.00 31.44 28.60 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 -2.49 0.87 3.85 8.31 0.00 -0.80 -4.95 105.19 109.99 1mx7 n GLY 123 Ca -0.30 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.10 1mx7 n GLY 123 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mx7 s VAL 124 N -2.11 2.68 -0.37 1.61 -7.23 0.75 -5.11 120.40 110.62 1mx7 s VAL 124 Ca 0.00 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 1mx7 s VAL 124 Cb 0.00 -3.01 0.13 0.00 0.56 0.00 0.00 36.38 34.06 1mx7 s VAL 124 CO 0.00 -0.02 0.21 -0.89 -0.31 0.00 0.00 175.10 174.09 1mx7 s THR 125 N -2.48 0.55 -0.60 5.32 2.01 -1.26 -3.11 115.64 116.07 1mx7 s THR 125 Ca 0.46 -1.89 -0.19 0.00 0.31 0.00 0.00 61.69 60.38 1mx7 s THR 125 Cb -0.02 -1.40 0.11 0.00 0.01 0.00 0.00 72.50 71.20 1mx7 s THR 125 CO 0.27 -0.93 0.70 0.00 -0.69 0.00 0.00 174.62 173.96 1mx7 s LYS 127 N 2.54 3.31 -0.09 0.00 1.02 -1.26 -2.03 119.74 123.23 1mx7 s LYS 127 Ca 0.11 -0.53 -0.04 0.00 0.02 0.00 0.00 55.97 55.53 1mx7 s LYS 127 Cb -0.24 -2.95 0.05 0.00 -0.52 0.00 0.00 37.83 34.17 1mx7 s LYS 127 CO 0.05 0.58 0.18 -0.65 -0.92 0.00 0.00 175.35 174.60 1mx7 s GLN 128 N -2.63 0.10 -0.36 1.68 -0.21 -0.57 -3.26 119.66 114.41 1mx7 s GLN 128 Ca 0.34 0.51 -0.20 0.00 0.02 0.00 0.00 55.36 56.02 1mx7 s GLN 128 Cb -0.12 -0.18 0.00 0.00 1.00 0.00 0.00 33.01 33.71 1mx7 s GLN 128 CO 0.27 -0.23 0.63 0.08 -2.12 0.00 0.00 175.29 173.92 1mx7 s VAL 129 N 1.71 4.89 0.54 1.09 1.01 -0.63 -2.98 120.40 126.03 1mx7 s VAL 129 Ca -0.04 0.54 0.09 0.00 0.00 0.00 0.00 61.98 62.57 1mx7 s VAL 129 Cb -0.12 -4.08 0.07 0.00 0.00 0.00 0.00 36.38 32.25 1mx7 s VAL 129 CO -0.07 -0.33 0.68 -0.36 0.00 0.00 0.00 175.10 175.03 1mx7 s PHE 130 N 2.70 1.66 -0.15 5.22 0.08 -0.69 0.05 117.98 126.85 1mx7 s PHE 130 Ca 0.24 -0.70 -0.05 0.00 0.12 0.00 0.00 56.93 56.54 1mx7 s PHE 130 Cb -0.14 -2.18 0.07 0.00 -0.57 0.00 0.00 43.02 40.20 1mx7 s PHE 130 CO 0.15 -0.91 0.30 0.21 -0.10 0.00 0.00 175.22 174.87 1mx7 s LYS 131 N -4.54 0.19 -0.10 0.44 2.47 -0.90 -3.88 119.74 113.42 1mx7 s LYS 131 Ca 0.56 0.82 -0.30 0.00 -1.56 0.00 0.00 55.97 55.49 1mx7 s LYS 131 Cb -0.05 0.06 -0.01 0.00 -1.46 0.00 0.00 37.83 36.36 1mx7 s LYS 131 CO 0.35 -0.28 1.02 0.21 0.16 0.00 0.00 175.35 176.81 1mx7 s LYS 132 N 2.46 4.42 -0.04 4.03 2.20 0.10 -3.37 119.74 129.54 1mx7 s LYS 132 Ca 0.00 1.42 -0.01 0.00 -0.36 0.00 0.00 55.97 57.02 1mx7 s LYS 132 Cb -0.12 -3.54 -0.00 0.00 -1.51 0.00 0.00 37.83 32.66 1mx7 s LYS 132 CO -0.10 -0.32 -0.02 0.28 -0.36 0.00 0.00 175.35 174.84 1mx7 h VAL 133 N 5.08 0.00 0.00 4.02 2.07 -1.89 -3.48 116.25 122.05 1mx7 h VAL 133 Ca -0.32 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1mx7 h VAL 133 Cb 1.15 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1mx7 h VAL 133 CO 0.85 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.44