#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mx7 n VAL 2 N 0.00 0.00 0.00 -1.45 3.14 -1.26 -4.87 118.33 113.89 1mx7 n VAL 2 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1mx7 n VAL 2 Cb 0.00 -0.18 0.00 0.00 -1.06 0.00 0.00 33.84 32.60 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 -1.85 0.00 0.00 6.55 9.92 -1.26 -5.06 116.55 124.86 1mx7 n ASP 3 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1mx7 n ASP 3 Cb 0.01 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 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 0.00 0.00 -1.49 1.24 3.72 -1.26 -4.89 117.46 114.78 1mx7 n PHE 4 Ca 0.00 0.00 -0.55 0.00 -0.05 0.00 0.00 57.45 56.85 1mx7 n PHE 4 Cb 0.00 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.46 1mx7 n PHE 4 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1mx7 n ASN 5 N 1.29 1.90 0.00 4.37 5.15 -1.26 -4.58 115.26 122.13 1mx7 n ASN 5 Ca 0.00 0.68 0.00 0.00 -0.60 0.00 0.00 54.58 54.66 1mx7 n ASN 5 Cb 0.00 -1.14 0.00 0.00 -0.53 0.00 0.00 39.78 38.11 1mx7 n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1mx7 n GLY 6 N 6.01 -0.53 3.60 8.20 0.00 -1.03 -5.03 105.19 116.42 1mx7 n GLY 6 Ca 0.40 0.43 -0.12 0.00 0.00 0.00 0.00 46.02 46.73 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 0.00 -0.53 -0.16 1.61 6.14 -1.26 -4.30 117.35 118.85 1mx7 s TYR 7 Ca 0.00 1.13 -0.01 0.00 0.64 0.00 0.00 57.07 58.83 1mx7 s TYR 7 Cb 0.00 0.38 0.04 0.00 0.42 0.00 0.00 41.96 42.80 1mx7 s TYR 7 CO 0.00 -0.35 -0.04 -1.58 0.64 0.00 0.00 175.55 174.22 1mx7 s TRP 8 N -0.35 1.59 -0.32 4.97 0.52 0.17 -3.05 118.94 122.47 1mx7 s TRP 8 Ca -0.01 -1.02 -0.13 0.00 0.02 0.00 0.00 56.10 54.96 1mx7 s TRP 8 Cb -0.03 -1.26 -0.03 0.00 -1.15 0.00 0.00 33.47 31.00 1mx7 s TRP 8 CO -0.00 -0.60 0.27 0.21 0.02 0.00 0.00 176.95 176.84 1mx7 s LYS 9 N 1.67 3.67 0.29 4.98 2.47 -0.03 -2.15 119.74 130.64 1mx7 s LYS 9 Ca 0.01 -0.45 -0.30 0.00 -1.56 0.00 0.00 55.97 53.66 1mx7 s LYS 9 Cb -0.15 -3.76 -0.11 0.00 -1.46 0.00 0.00 37.83 32.35 1mx7 s LYS 9 CO -0.08 -0.38 1.56 0.00 0.16 0.00 0.00 175.35 176.61 1mx7 s MET 10 N 1.83 4.15 -0.04 4.03 0.23 -1.26 0.11 119.30 128.35 1mx7 s MET 10 Ca 0.08 2.52 -0.01 0.00 -1.03 0.00 0.00 55.69 57.26 1mx7 s MET 10 Cb -0.17 -3.04 -0.02 0.00 -1.53 0.00 0.00 34.83 30.08 1mx7 s MET 10 CO 0.11 -0.58 -0.04 -0.11 -2.03 0.00 0.00 175.02 172.36 1mx7 n LEU 11 N 2.07 1.64 -4.40 0.18 7.94 0.39 -4.85 117.00 119.97 1mx7 n LEU 11 Ca 0.07 0.02 -0.23 0.00 -1.11 0.00 0.00 56.01 54.75 1mx7 n LEU 11 Cb 0.38 -0.13 -0.11 0.00 0.53 0.00 0.00 43.42 44.09 1mx7 n LEU 11 CO 0.63 0.32 -0.49 -0.55 -1.11 0.00 0.00 177.39 176.19 1mx7 s SER 12 N -4.88 3.15 -0.15 1.96 0.15 -0.88 -4.93 113.70 108.13 1mx7 s SER 12 Ca -0.06 -0.93 -0.05 0.00 0.70 0.00 0.00 55.95 55.61 1mx7 s SER 12 Cb 0.02 -0.22 0.07 0.00 -1.71 0.00 0.00 66.02 64.18 1mx7 s SER 12 CO 0.08 0.02 0.31 0.20 1.20 0.00 0.00 173.24 175.05 1mx7 s ASN 13 N -3.00 0.17 0.00 5.45 -0.87 -1.26 -2.91 114.94 112.52 1mx7 s ASN 13 Ca 0.22 0.71 0.00 0.00 -1.57 0.00 0.00 52.86 52.22 1mx7 s ASN 13 Cb -0.06 0.89 0.00 0.00 -0.02 0.00 0.00 41.25 42.07 1mx7 s ASN 13 CO 0.10 -0.24 0.00 -0.62 -2.57 0.00 0.00 177.10 173.77 1mx7 n GLU 14 N 5.36 0.00 -2.52 -0.60 1.02 -1.22 -4.81 120.64 117.88 1mx7 n GLU 14 Ca -0.07 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.71 1mx7 n GLU 14 Cb 0.50 -0.39 0.01 0.00 -0.02 0.00 0.00 31.44 31.53 1mx7 n GLU 14 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1mx7 n ASN 15 N -2.34 6.41 -0.02 1.62 3.02 -1.26 -4.80 115.26 117.89 1mx7 n ASN 15 Ca 0.00 -3.73 -0.13 0.00 -0.03 0.00 0.00 54.58 50.69 1mx7 n ASN 15 Cb 0.00 -0.91 -0.10 0.00 -0.61 0.00 0.00 39.78 38.15 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 3.44 0.03 -0.48 3.10 3.57 -1.92 -2.69 116.94 121.99 1mx7 h PHE 16 Ca 0.42 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.85 1mx7 h PHE 16 Cb 0.37 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1mx7 h PHE 16 CO 1.12 0.58 0.04 1.49 -2.23 0.00 0.00 178.31 179.31 1mx7 h GLU 17 N -0.53 0.76 0.00 1.11 4.81 -1.98 -2.75 114.58 116.01 1mx7 h GLU 17 Ca 0.00 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 58.94 1mx7 h GLU 17 Cb 0.58 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1mx7 h GLU 17 CO 0.00 0.75 -0.52 1.49 -0.73 0.00 0.00 179.01 180.00 1mx7 h GLU 18 N 0.72 0.00 -0.37 1.92 4.57 -1.94 -2.77 114.58 116.71 1mx7 h GLU 18 Ca 0.15 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.24 1mx7 h GLU 18 Cb 0.39 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1mx7 h GLU 18 CO 0.01 0.52 -0.10 -0.92 -1.18 0.00 0.00 179.01 177.34 1mx7 h TYR 19 N 0.00 0.82 0.00 0.92 3.20 -1.19 -1.41 116.97 119.31 1mx7 h TYR 19 Ca -0.01 -0.18 -0.04 0.00 3.14 0.00 0.00 58.73 61.64 1mx7 h TYR 19 Cb 0.98 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 1mx7 h TYR 19 CO 0.00 0.88 -0.18 -0.07 -1.64 0.00 0.00 178.16 177.15 1mx7 h LEU 20 N 0.53 0.00 -0.52 2.82 3.38 -1.50 -2.37 115.31 117.65 1mx7 h LEU 20 Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1mx7 h LEU 20 Cb 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1mx7 h LEU 20 CO 0.04 0.18 -0.12 -0.09 0.09 0.00 0.00 178.44 178.54 1mx7 h ARG 21 N 0.00 0.00 -0.00 1.13 1.12 -1.27 -2.34 114.38 113.02 1mx7 h ARG 21 Ca -0.00 0.00 -0.22 0.00 -1.11 0.00 0.00 59.98 58.64 1mx7 h ARG 21 Cb 0.93 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.89 1mx7 h ARG 21 CO 0.02 0.12 -0.93 0.00 -3.11 0.00 0.00 179.97 176.08 1mx7 h ALA 22 N 1.88 0.38 -0.00 2.80 0.00 -0.72 -3.25 119.26 120.34 1mx7 h ALA 22 Ca -0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1mx7 h ALA 22 Cb 0.91 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1mx7 h ALA 22 CO 0.02 0.82 -0.36 1.28 0.00 0.00 0.00 179.25 181.00 1mx7 n LEU 23 N -3.75 0.68 -2.69 0.00 4.77 -1.16 -4.84 117.00 110.01 1mx7 n LEU 23 Ca -0.06 -0.08 -0.18 0.00 -0.03 0.00 0.00 56.01 55.65 1mx7 n LEU 23 Cb 0.83 -0.20 0.05 0.00 -2.33 0.00 0.00 43.42 41.76 1mx7 n LEU 23 CO 0.51 0.14 0.12 0.47 -1.33 0.00 0.00 177.39 177.31 1mx7 n ASP 24 N -1.14 -5.26 -4.75 -1.43 9.92 -0.92 -4.99 116.55 107.98 1mx7 n ASP 24 Ca 0.09 -0.35 -0.31 0.00 -0.53 0.00 0.00 54.79 53.69 1mx7 n ASP 24 Cb 0.34 -3.94 0.11 0.00 -0.64 0.00 0.00 41.12 36.98 1mx7 n ASP 24 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1mx7 s VAL 25 N -3.17 3.06 0.88 2.53 0.11 -0.93 -4.97 120.40 117.91 1mx7 s VAL 25 Ca 0.37 0.34 -0.10 0.00 -2.93 0.00 0.00 61.98 59.67 1mx7 s VAL 25 Cb -0.16 -2.75 0.12 0.00 -1.53 0.00 0.00 36.38 32.06 1mx7 s VAL 25 CO 0.46 -0.45 1.13 0.54 -3.33 0.00 0.00 175.10 173.45 1mx7 s ASN 26 N -3.27 3.32 0.26 3.54 2.20 -1.26 -4.91 114.94 114.81 1mx7 s ASN 26 Ca 0.62 2.08 0.01 0.00 -0.94 0.00 0.00 52.86 54.63 1mx7 s ASN 26 Cb -0.18 -2.55 0.33 0.00 -2.00 0.00 0.00 41.25 36.85 1mx7 s ASN 26 CO 0.56 -2.83 1.68 0.58 -2.94 0.00 0.00 177.10 174.15 1mx7 h VAL 27 N -1.68 1.28 -0.10 3.54 2.07 -2.00 -3.16 116.25 116.20 1mx7 h VAL 27 Ca -0.43 -1.36 -0.17 0.00 0.82 0.00 0.00 66.70 65.56 1mx7 h VAL 27 Cb 1.26 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 1mx7 h VAL 27 CO 0.44 0.43 -0.66 0.00 0.02 0.00 0.00 177.57 177.80 1mx7 h ALA 28 N 1.23 0.68 -0.06 1.67 0.00 -1.99 -2.58 119.26 118.20 1mx7 h ALA 28 Ca 0.06 -0.57 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 1mx7 h ALA 28 Cb 0.74 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1mx7 h ALA 28 CO 0.06 0.74 -0.28 1.25 0.00 0.00 0.00 179.25 181.02 1mx7 h LEU 29 N 0.28 0.11 -0.20 0.00 5.85 -1.94 -0.01 115.31 119.41 1mx7 h LEU 29 Ca -0.02 -0.03 -0.19 0.00 0.84 0.00 0.00 57.88 58.49 1mx7 h LEU 29 Cb 1.22 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 1mx7 h LEU 29 CO 0.11 0.39 -0.89 -0.09 -0.34 0.00 0.00 178.44 177.63 1mx7 h ARG 30 N 0.10 0.00 0.17 1.25 2.43 -1.52 -1.73 114.38 115.09 1mx7 h ARG 30 Ca 0.02 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.90 1mx7 h ARG 30 Cb 0.55 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.13 1mx7 h ARG 30 CO 0.04 0.89 -1.22 -0.22 -1.51 0.00 0.00 179.97 177.95 1mx7 h LYS 31 N 0.00 0.53 -0.00 0.20 3.11 -1.02 -2.28 116.57 117.10 1mx7 h LYS 31 Ca -0.01 -0.79 -0.16 0.00 -2.81 0.00 0.00 60.65 56.88 1mx7 h LYS 31 Cb 1.58 0.28 -0.02 0.00 -1.00 0.00 0.00 32.23 33.07 1mx7 h LYS 31 CO 0.12 1.37 -0.74 0.82 -2.81 0.00 0.00 179.45 178.20 1mx7 h ILE 32 N 0.09 1.52 0.04 2.00 5.03 -1.08 -3.35 117.51 121.76 1mx7 h ILE 32 Ca -0.20 -2.50 -0.00 0.00 -0.12 0.00 0.00 64.86 62.03 1mx7 h ILE 32 Cb 1.93 2.35 0.00 0.00 -3.03 0.00 0.00 36.82 38.07 1mx7 h ILE 32 CO 0.23 0.72 -0.02 0.00 -0.68 0.00 0.00 178.15 178.40 1mx7 h ALA 33 N 1.23 -0.05 -0.57 1.87 0.00 -1.38 -3.34 119.26 117.02 1mx7 h ALA 33 Ca -0.01 -0.34 0.16 0.00 0.00 0.00 0.00 54.91 54.73 1mx7 h ALA 33 Cb 1.31 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1mx7 h ALA 33 CO 0.10 -0.11 0.84 -2.95 0.00 0.00 0.00 179.25 177.14 1mx7 h ASN 34 N -0.89 0.00 -0.05 0.00 7.08 -1.54 0.15 115.58 120.34 1mx7 h ASN 34 Ca -0.00 0.00 -0.07 0.00 -3.08 0.00 0.00 56.30 53.15 1mx7 h ASN 34 Cb 0.69 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.93 1mx7 h ASN 34 CO 0.01 0.00 -0.24 -0.07 -2.08 0.00 0.00 177.43 175.05 1mx7 h LEU 35 N 0.00 0.29 0.00 6.14 3.38 -1.71 -3.46 115.31 119.95 1mx7 h LEU 35 Ca 0.27 -0.66 -0.44 0.00 0.09 0.00 0.00 57.88 57.14 1mx7 h LEU 35 Cb 1.95 -0.09 0.04 0.00 0.09 0.00 0.00 40.66 42.66 1mx7 h LEU 35 CO -0.00 0.91 -0.01 0.00 0.09 0.00 0.00 178.44 179.43 1mx7 n LEU 36 N -4.51 0.00 -3.83 1.67 -0.00 0.52 -5.13 117.00 105.72 1mx7 n LEU 36 Ca -0.09 -2.19 -0.13 0.00 -0.00 0.00 0.00 56.01 53.61 1mx7 n LEU 36 Cb 0.46 -0.46 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 1mx7 n LEU 36 CO 0.40 -0.78 -0.27 -0.54 -0.00 0.00 0.00 177.39 176.20 1mx7 s LYS 37 N -4.57 0.09 -0.37 1.47 1.02 -1.26 -4.92 119.74 111.20 1mx7 s LYS 37 Ca 0.58 0.15 -0.28 0.00 0.02 0.00 0.00 55.97 56.43 1mx7 s LYS 37 Cb -0.04 0.01 -0.02 0.00 -0.52 0.00 0.00 37.83 37.27 1mx7 s LYS 37 CO 0.37 -0.03 1.77 -1.25 -0.92 0.00 0.00 175.35 175.29 1mx7 s PRO 38 N 0.21 3.28 0.03 -1.68 0.04 -1.26 -4.79 135.00 130.83 1mx7 s PRO 38 Ca -0.01 1.30 -0.21 0.00 0.04 0.00 0.00 61.00 62.12 1mx7 s PRO 38 Cb -0.02 -4.20 -0.06 0.00 0.04 0.00 0.00 34.50 30.26 1mx7 s PRO 38 CO -0.01 -1.92 0.62 0.34 0.04 0.00 0.00 177.00 176.07 1mx7 s ASP 39 N 6.10 7.04 -0.03 6.66 2.15 -1.26 -4.53 116.67 132.79 1mx7 s ASP 39 Ca 0.77 1.24 0.07 0.00 0.43 0.00 0.00 52.55 55.06 1mx7 s ASP 39 Cb -0.21 -2.38 -0.02 0.00 -0.30 0.00 0.00 42.92 40.01 1mx7 s ASP 39 CO 0.32 0.14 -0.24 -0.54 -0.17 0.00 0.00 175.17 174.68 1mx7 s LYS 40 N -0.43 2.28 -0.05 4.34 1.02 -0.91 -0.34 119.74 125.65 1mx7 s LYS 40 Ca 0.32 -0.89 0.01 0.00 0.02 0.00 0.00 55.97 55.43 1mx7 s LYS 40 Cb -0.19 -2.12 0.02 0.00 -0.52 0.00 0.00 37.83 35.02 1mx7 s LYS 40 CO 0.19 0.52 -0.04 -2.00 -0.92 0.00 0.00 175.35 173.10 1mx7 s GLU 41 N -0.51 0.79 -0.06 1.68 2.12 -0.66 0.44 118.70 122.49 1mx7 s GLU 41 Ca 0.07 -0.07 0.05 0.00 0.36 0.00 0.00 54.97 55.38 1mx7 s GLU 41 Cb -0.11 -0.85 -0.02 0.00 0.26 0.00 0.00 34.13 33.42 1mx7 s GLU 41 CO 0.00 -0.11 -0.21 0.42 -0.54 0.00 0.00 175.26 174.82 1mx7 s ILE 42 N 1.05 2.39 -0.28 -3.70 1.01 -1.26 0.08 121.20 120.50 1mx7 s ILE 42 Ca -0.09 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.61 1mx7 s ILE 42 Cb -0.14 -1.89 0.08 0.00 0.01 0.00 0.00 42.46 40.52 1mx7 s ILE 42 CO -0.01 0.57 0.04 -0.69 0.00 0.00 0.00 174.94 174.86 1mx7 s VAL 43 N -0.34 1.22 -0.00 2.92 1.01 -0.54 -2.46 120.40 122.21 1mx7 s VAL 43 Ca 0.02 -1.40 -0.09 0.00 0.00 0.00 0.00 61.98 60.51 1mx7 s VAL 43 Cb -0.12 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 1mx7 s VAL 43 CO 0.02 -0.46 0.31 -1.58 0.00 0.00 0.00 175.10 173.39 1mx7 s GLN 44 N 1.48 3.67 0.24 2.72 0.74 -1.26 -1.81 119.66 125.44 1mx7 s GLN 44 Ca 0.05 0.08 0.03 0.00 0.05 0.00 0.00 55.36 55.56 1mx7 s GLN 44 Cb -0.18 -3.11 -0.05 0.00 1.10 0.00 0.00 33.01 30.77 1mx7 s GLN 44 CO -0.15 0.66 0.04 0.34 -0.55 0.00 0.00 175.29 175.63 1mx7 s ASP 45 N -1.45 1.58 -0.11 6.67 -1.08 0.13 -4.99 116.67 117.43 1mx7 s ASP 45 Ca 0.26 -1.29 -0.29 0.00 -0.52 0.00 0.00 52.55 50.70 1mx7 s ASP 45 Cb -0.14 0.07 -0.05 0.00 -1.46 0.00 0.00 42.92 41.34 1mx7 s ASP 45 CO 0.14 -0.61 1.64 -0.83 0.52 0.00 0.00 175.17 176.03 1mx7 s GLY 46 N -3.31 1.43 -1.68 2.66 0.00 -1.26 -2.50 107.32 102.66 1mx7 s GLY 46 Ca 0.32 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.83 1mx7 s GLY 46 CO 0.10 3.02 0.00 1.22 0.00 0.00 0.00 173.10 177.45 1mx7 n ASP 47 N 7.57 -5.23 -3.65 1.64 8.00 -1.26 -4.93 116.55 118.68 1mx7 n ASP 47 Ca 0.18 0.39 -0.04 0.00 0.71 0.00 0.00 54.79 56.03 1mx7 n ASP 47 Cb 0.44 -4.13 -0.06 0.00 -0.02 0.00 0.00 41.12 37.34 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 -2.48 -1.12 0.27 1.24 3.76 -1.04 -4.49 115.29 111.43 1mx7 s HIS 48 Ca 0.00 2.00 0.12 0.00 -0.15 0.00 0.00 55.06 57.03 1mx7 s HIS 48 Cb 0.00 0.60 -0.05 0.00 1.11 0.00 0.00 32.58 34.24 1mx7 s HIS 48 CO 0.00 -0.59 -0.17 1.41 -0.85 0.00 0.00 174.74 174.54 1mx7 s MET 49 N 2.78 1.77 -0.08 1.40 1.75 -0.91 0.21 119.30 126.22 1mx7 s MET 49 Ca -0.04 -1.70 -0.06 0.00 -1.25 0.00 0.00 55.69 52.64 1mx7 s MET 49 Cb -0.12 -1.84 0.03 0.00 2.84 0.00 0.00 34.83 35.74 1mx7 s MET 49 CO -0.16 0.34 0.20 0.42 -0.65 0.00 0.00 175.02 175.17 1mx7 s ILE 50 N -2.43 -0.02 -0.12 10.11 1.01 -0.75 -0.55 121.20 128.46 1mx7 s ILE 50 Ca 0.30 0.07 0.02 0.00 0.00 0.00 0.00 60.65 61.04 1mx7 s ILE 50 Cb -0.05 -0.30 -0.01 0.00 0.01 0.00 0.00 42.46 42.11 1mx7 s ILE 50 CO 0.15 0.03 -0.19 -0.63 0.00 0.00 0.00 174.94 174.31 1mx7 s ILE 51 N 0.62 2.49 -0.28 2.92 -1.09 -1.26 -1.47 121.20 123.13 1mx7 s ILE 51 Ca -0.04 -0.86 0.03 0.00 -2.23 0.00 0.00 60.65 57.55 1mx7 s ILE 51 Cb -0.06 -2.00 0.07 0.00 -1.58 0.00 0.00 42.46 38.89 1mx7 s ILE 51 CO -0.03 0.54 -0.04 -0.13 -1.23 0.00 0.00 174.94 174.05 1mx7 s ARG 52 N 0.43 1.79 -0.04 2.79 0.52 0.11 -3.29 118.95 121.26 1mx7 s ARG 52 Ca -0.14 -1.43 -0.29 0.00 -0.52 0.00 0.00 55.73 53.35 1mx7 s ARG 52 Cb -0.17 -2.88 -0.03 0.00 0.52 0.00 0.00 34.95 32.40 1mx7 s ARG 52 CO 0.06 -0.72 0.95 0.99 0.02 0.00 0.00 175.30 176.61 1mx7 s THR 53 N 1.13 4.87 -0.50 0.02 2.01 -1.25 -1.66 115.64 120.25 1mx7 s THR 53 Ca -0.01 1.98 0.05 0.00 0.31 0.00 0.00 61.69 64.02 1mx7 s THR 53 Cb -0.19 -4.28 0.20 0.00 0.01 0.00 0.00 72.50 68.23 1mx7 s THR 53 CO -0.07 0.13 0.47 0.18 -0.69 0.00 0.00 174.62 174.64 1mx7 n LEU 54 N 4.18 1.00 -4.46 4.42 4.77 0.54 -4.07 117.00 123.37 1mx7 n LEU 54 Ca 0.06 -4.77 -0.34 0.00 -0.03 0.00 0.00 56.01 50.93 1mx7 n LEU 54 Cb 0.50 0.12 -0.13 0.00 -2.33 0.00 0.00 43.42 41.59 1mx7 n LEU 54 CO 0.51 1.91 -0.37 -0.55 -1.33 0.00 0.00 177.39 177.56 1mx7 s SER 55 N -0.90 4.62 -0.83 -1.43 0.15 -1.26 -4.24 113.70 109.81 1mx7 s SER 55 Ca 0.33 -0.18 -0.26 0.00 0.70 0.00 0.00 55.95 56.53 1mx7 s SER 55 Cb 0.07 -1.75 -0.13 0.00 -1.71 0.00 0.00 66.02 62.49 1mx7 s SER 55 CO -0.15 0.16 2.33 0.42 1.20 0.00 0.00 173.24 177.20 1mx7 s THR 56 N 0.43 3.07 0.00 6.45 -4.23 -1.26 -2.88 115.64 117.22 1mx7 s THR 56 Ca -0.05 -0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 1mx7 s THR 56 Cb -0.15 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.47 1mx7 s THR 56 CO 0.03 -0.14 0.00 0.33 -0.54 0.00 0.00 174.62 174.31 1mx7 n PHE 57 N 18.23 0.00 -3.40 3.99 7.35 -1.26 -5.09 117.46 137.27 1mx7 n PHE 57 Ca 0.46 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 57.00 1mx7 n PHE 57 Cb 0.44 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.17 1mx7 n PHE 57 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1mx7 s ARG 58 N 0.00 0.30 -0.20 -4.13 3.52 -1.14 -5.14 118.95 112.16 1mx7 s ARG 58 Ca 0.00 0.17 -0.19 0.00 -0.13 0.00 0.00 55.73 55.58 1mx7 s ARG 58 Cb 0.00 -0.73 -0.03 0.00 -1.56 0.00 0.00 34.95 32.63 1mx7 s ARG 58 CO 0.00 -0.81 0.55 -0.80 -0.81 0.00 0.00 175.30 173.42 1mx7 s ASN 59 N 2.42 6.59 -0.18 -2.12 0.02 -1.26 -4.70 114.94 115.70 1mx7 s ASN 59 Ca 0.10 0.71 0.00 0.00 -1.02 0.00 0.00 52.86 52.65 1mx7 s ASN 59 Cb -0.15 -2.31 0.01 0.00 0.02 0.00 0.00 41.25 38.83 1mx7 s ASN 59 CO -0.22 -0.21 -0.17 -0.72 0.02 0.00 0.00 177.10 175.81 1mx7 s TYR 60 N 1.73 2.81 0.20 2.20 1.13 -1.26 -5.04 117.35 119.12 1mx7 s TYR 60 Ca 0.25 -1.44 0.07 0.00 -1.41 0.00 0.00 57.07 54.54 1mx7 s TYR 60 Cb -0.16 -1.95 -0.04 0.00 -1.10 0.00 0.00 41.96 38.72 1mx7 s TYR 60 CO 0.10 -0.72 0.08 0.42 -2.51 0.00 0.00 175.55 172.92 1mx7 s ILE 61 N 1.27 4.06 0.00 -3.49 -1.09 -1.26 -3.88 121.20 116.81 1mx7 s ILE 61 Ca 0.04 -1.39 0.00 0.00 -2.23 0.00 0.00 60.65 57.07 1mx7 s ILE 61 Cb -0.14 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 1mx7 s ILE 61 CO -0.09 -0.20 0.00 0.23 -1.23 0.00 0.00 174.94 173.65 1mx7 n MET 62 N -0.52 0.42 -2.70 2.79 2.81 -1.21 -5.07 117.12 113.64 1mx7 n MET 62 Ca -0.08 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.77 1mx7 n MET 62 Cb 0.56 0.00 0.04 0.00 -0.71 0.00 0.00 33.22 33.11 1mx7 n MET 62 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1mx7 n ASP 63 N -2.37 -2.09 -3.91 7.83 -0.08 -1.26 -4.21 116.55 110.46 1mx7 n ASP 63 Ca 0.00 -1.82 -0.30 0.00 -1.51 0.00 0.00 54.79 51.17 1mx7 n ASP 63 Cb 0.00 1.10 0.27 0.00 2.34 0.00 0.00 41.12 44.83 1mx7 n ASP 63 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1mx7 s PHE 64 N 0.78 0.32 -0.36 -0.67 0.08 0.29 -4.79 117.98 113.63 1mx7 s PHE 64 Ca 0.26 0.77 -0.00 0.00 0.12 0.00 0.00 56.93 58.09 1mx7 s PHE 64 Cb 0.12 -3.05 0.12 0.00 -0.57 0.00 0.00 43.02 39.64 1mx7 s PHE 64 CO -0.10 -4.39 0.18 -0.65 -0.10 0.00 0.00 175.22 170.16 1mx7 s GLN 65 N -4.91 0.76 0.04 0.44 -1.52 -1.26 -2.13 119.66 111.08 1mx7 s GLN 65 Ca 0.69 -1.35 -0.30 0.00 -1.95 0.00 0.00 55.36 52.45 1mx7 s GLN 65 Cb -0.17 -1.77 -0.09 0.00 -0.22 0.00 0.00 33.01 30.76 1mx7 s GLN 65 CO 0.60 -1.11 1.98 0.28 -0.25 0.00 0.00 175.29 176.79 1mx7 n VAL 66 N 4.28 0.77 0.00 1.09 0.31 -1.26 -2.87 118.33 120.65 1mx7 n VAL 66 Ca 0.05 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1mx7 n VAL 66 Cb 0.38 -2.32 0.00 0.00 -0.91 0.00 0.00 33.84 30.99 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 4.55 1.52 3.63 2.92 0.00 -0.92 -4.91 105.19 111.99 1mx7 n GLY 67 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 1mx7 n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mx7 s LYS 68 N -0.24 0.35 -0.17 1.61 2.36 -1.14 -5.08 119.74 117.43 1mx7 s LYS 68 Ca 0.00 0.28 -0.35 0.00 -2.55 0.00 0.00 55.97 53.35 1mx7 s LYS 68 Cb 0.00 0.17 -0.12 0.00 -1.05 0.00 0.00 37.83 36.83 1mx7 s LYS 68 CO 0.00 -0.07 1.91 -1.91 1.55 0.00 0.00 175.35 176.83 1mx7 n GLU 69 N 1.50 1.82 -0.03 4.03 0.00 -1.26 -4.42 120.64 122.27 1mx7 n GLU 69 Ca -0.10 0.65 -0.14 0.00 0.00 0.00 0.00 57.16 57.57 1mx7 n GLU 69 Cb 0.57 -2.54 -0.14 0.00 0.00 0.00 0.00 31.44 29.33 1mx7 n GLU 69 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1mx7 n PHE 70 N 7.04 0.93 -0.55 4.31 7.35 0.47 -4.93 117.46 132.08 1mx7 n PHE 70 Ca 0.26 0.27 0.07 0.00 -0.76 0.00 0.00 57.45 57.29 1mx7 n PHE 70 Cb 0.26 -1.15 -0.04 0.00 0.35 0.00 0.00 39.48 38.90 1mx7 n PHE 70 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 1mx7 n GLU 71 N -3.19 -1.26 0.00 -4.13 0.28 -1.19 -4.85 120.64 106.30 1mx7 n GLU 71 Ca -0.26 1.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.76 1mx7 n GLU 71 Cb 1.06 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 32.45 1mx7 n GLU 71 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1mx7 n GLU 72 N -2.95 0.00 -2.24 3.44 1.02 -1.13 -4.61 120.64 114.18 1mx7 n GLU 72 Ca -0.03 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.93 1mx7 n GLU 72 Cb 0.26 -0.23 -0.02 0.00 -0.02 0.00 0.00 31.44 31.43 1mx7 n GLU 72 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1mx7 n ASP 73 N -2.30 -4.99 -4.26 1.62 9.92 -1.26 -4.85 116.55 110.43 1mx7 n ASP 73 Ca 0.00 0.14 -0.44 0.00 -0.53 0.00 0.00 54.79 53.96 1mx7 n ASP 73 Cb 0.08 -4.24 -0.02 0.00 -0.64 0.00 0.00 41.12 36.30 1mx7 n ASP 73 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1mx7 n LEU 74 N -2.78 -1.99 -3.15 0.64 -0.00 -1.25 -4.99 117.00 103.50 1mx7 n LEU 74 Ca -0.20 0.96 0.05 0.00 -0.00 0.00 0.00 56.01 56.81 1mx7 n LEU 74 Cb 0.64 -0.90 -0.01 0.00 -0.00 0.00 0.00 43.42 43.15 1mx7 n LEU 74 CO 0.24 -3.50 0.33 0.28 -0.00 0.00 0.00 177.39 174.75 1mx7 s THR 75 N -1.30 -0.71 0.00 1.96 -1.32 -1.26 -4.01 115.64 109.00 1mx7 s THR 75 Ca 0.60 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.08 1mx7 s THR 75 Cb -0.77 -0.93 0.00 0.00 -1.51 0.00 0.00 72.50 69.29 1mx7 s THR 75 CO 0.58 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.60 1mx7 n GLY 76 N 5.41 0.46 3.30 6.08 0.00 -1.26 -5.04 105.19 114.14 1mx7 n GLY 76 Ca -0.01 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1mx7 n GLY 76 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1mx7 s ILE 77 N 0.00 1.93 0.00 -0.61 -4.36 -1.26 -4.88 121.20 112.02 1mx7 s ILE 77 Ca 0.00 -1.21 0.00 0.00 -0.26 0.00 0.00 60.65 59.18 1mx7 s ILE 77 Cb 0.00 -1.64 0.00 0.00 1.25 0.00 0.00 42.46 42.07 1mx7 s ILE 77 CO 0.00 0.38 0.00 -0.67 0.24 0.00 0.00 174.94 174.89 1mx7 n ASP 78 N 2.05 0.00 -1.36 4.36 2.03 -1.26 -4.57 116.55 117.79 1mx7 n ASP 78 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1mx7 n ASP 78 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1mx7 n ASP 78 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1mx7 n ASP 79 N 0.94 -1.82 -2.45 1.67 8.00 -1.26 -4.78 116.55 116.85 1mx7 n ASP 79 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.44 1mx7 n ASP 79 Cb 0.00 -0.91 -0.01 0.00 -0.02 0.00 0.00 41.12 40.18 1mx7 n ASP 79 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1mx7 n ARG 80 N -0.88 1.61 -3.88 -1.24 1.74 -1.26 -5.02 116.66 107.73 1mx7 n ARG 80 Ca 0.00 -0.75 -0.14 0.00 -0.77 0.00 0.00 57.85 56.19 1mx7 n ARG 80 Cb 0.43 0.23 -0.15 0.00 -1.02 0.00 0.00 32.46 31.95 1mx7 n ARG 80 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1mx7 s LYS 81 N -2.37 0.07 -0.13 5.56 1.02 -1.26 -3.75 119.74 118.89 1mx7 s LYS 81 Ca 0.01 0.04 -0.32 0.00 0.02 0.00 0.00 55.97 55.72 1mx7 s LYS 81 Cb 0.00 -0.18 0.13 0.00 -0.52 0.00 0.00 37.83 37.26 1mx7 s LYS 81 CO 0.00 -0.05 1.09 0.00 -0.92 0.00 0.00 175.35 175.47 1mx7 s MET 83 N -2.53 2.67 -0.34 0.00 -1.94 -1.26 -2.84 119.30 113.07 1mx7 s MET 83 Ca 0.07 -1.23 -0.10 0.00 -1.71 0.00 0.00 55.69 52.72 1mx7 s MET 83 Cb -0.01 -3.65 0.01 0.00 2.01 0.00 0.00 34.83 33.20 1mx7 s MET 83 CO -0.06 -0.77 0.17 0.99 -0.01 0.00 0.00 175.02 175.34 1mx7 s THR 84 N 1.46 4.48 -0.30 2.05 2.01 -1.26 -3.65 115.64 120.43 1mx7 s THR 84 Ca 0.01 -0.69 -0.08 0.00 0.31 0.00 0.00 61.69 61.25 1mx7 s THR 84 Cb -0.20 -3.40 -0.00 0.00 0.01 0.00 0.00 72.50 68.90 1mx7 s THR 84 CO 0.04 -0.08 0.10 -0.89 -0.69 0.00 0.00 174.62 173.10 1mx7 s THR 85 N 1.56 4.22 0.18 -0.82 2.01 -1.10 -0.40 115.64 121.29 1mx7 s THR 85 Ca 0.03 -0.54 -0.20 0.00 0.31 0.00 0.00 61.69 61.29 1mx7 s THR 85 Cb -0.18 -3.15 -0.08 0.00 0.01 0.00 0.00 72.50 69.11 1mx7 s THR 85 CO 0.06 0.10 0.68 -0.69 -0.69 0.00 0.00 174.62 174.08 1mx7 s VAL 86 N 1.55 4.61 -0.28 3.82 1.01 -1.26 -3.46 120.40 126.39 1mx7 s VAL 86 Ca 0.04 1.26 -0.19 0.00 0.00 0.00 0.00 61.98 63.09 1mx7 s VAL 86 Cb -0.17 -3.89 0.10 0.00 0.00 0.00 0.00 36.38 32.43 1mx7 s VAL 86 CO 0.04 0.31 0.82 -0.55 0.00 0.00 0.00 175.10 175.73 1mx7 s SER 87 N -1.50 -0.72 -0.11 3.32 0.15 -1.07 -2.17 113.70 111.61 1mx7 s SER 87 Ca 0.39 1.22 -0.27 0.00 0.70 0.00 0.00 55.95 57.99 1mx7 s SER 87 Cb -0.18 1.28 -0.02 0.00 -1.71 0.00 0.00 66.02 65.39 1mx7 s SER 87 CO 0.21 -0.20 0.89 -1.66 1.20 0.00 0.00 173.24 173.69 1mx7 s TRP 88 N 1.14 3.51 0.11 3.44 1.48 -1.26 -2.92 118.94 124.44 1mx7 s TRP 88 Ca -0.06 1.44 -0.09 0.00 -1.06 0.00 0.00 56.10 56.32 1mx7 s TRP 88 Cb -0.05 -3.05 -0.14 0.00 -1.16 0.00 0.00 33.47 29.07 1mx7 s TRP 88 CO -0.13 -0.15 1.27 0.22 -4.06 0.00 0.00 176.95 174.11 1mx7 h ASP 89 N 7.08 0.74 0.00 -2.66 3.58 -1.71 -3.48 116.42 119.97 1mx7 h ASP 89 Ca -0.33 -0.56 0.00 0.00 0.42 0.00 0.00 57.03 56.55 1mx7 h ASP 89 Cb 1.16 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1mx7 h ASP 89 CO 0.82 1.36 0.00 0.61 -2.88 0.00 0.00 179.24 179.15 1mx7 n GLY 90 N 0.92 -1.06 0.88 -0.78 0.00 -1.26 -4.89 105.19 99.01 1mx7 n GLY 90 Ca -0.08 0.42 0.08 0.00 0.00 0.00 0.00 46.02 46.44 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 3.19 -3.83 1.61 8.00 -1.26 -0.43 116.55 123.83 1mx7 n ASP 91 Ca 0.00 -1.95 -0.24 0.00 0.71 0.00 0.00 54.79 53.31 1mx7 n ASP 91 Cb 0.00 -0.28 -0.17 0.00 -0.02 0.00 0.00 41.12 40.64 1mx7 n ASP 91 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1mx7 s LYS 92 N -1.05 0.92 -1.17 -1.24 3.01 -1.26 -3.79 119.74 115.16 1mx7 s LYS 92 Ca 0.31 -0.03 -0.18 0.00 -1.01 0.00 0.00 55.97 55.07 1mx7 s LYS 92 Cb 0.17 -1.15 0.11 0.00 -1.01 0.00 0.00 37.83 35.94 1mx7 s LYS 92 CO 0.22 -0.27 1.51 -1.17 0.51 0.00 0.00 175.35 176.16 1mx7 s LEU 93 N 1.78 4.31 0.12 3.17 0.20 0.21 -1.89 118.68 126.58 1mx7 s LEU 93 Ca 0.03 -2.37 -0.23 0.00 0.69 0.00 0.00 54.13 52.25 1mx7 s LEU 93 Cb -0.13 -2.50 -0.07 0.00 -0.43 0.00 0.00 46.19 43.06 1mx7 s LEU 93 CO -0.06 -1.09 0.70 -1.10 -0.29 0.00 0.00 176.35 174.51 1mx7 s GLN 94 N 3.36 4.43 0.04 1.98 -0.21 -1.15 -2.80 119.66 125.31 1mx7 s GLN 94 Ca 0.46 1.00 0.04 0.00 0.02 0.00 0.00 55.36 56.88 1mx7 s GLN 94 Cb -0.00 -3.26 -0.02 0.00 1.00 0.00 0.00 33.01 30.73 1mx7 s GLN 94 CO -0.00 0.57 -0.13 0.00 -2.12 0.00 0.00 175.29 173.61 1mx7 s VAL 96 N -0.88 1.98 -0.34 0.00 0.11 -1.22 -3.19 120.40 116.85 1mx7 s VAL 96 Ca 0.00 -1.21 0.02 0.00 -2.93 0.00 0.00 61.98 57.87 1mx7 s VAL 96 Cb -0.08 -1.67 0.15 0.00 -1.53 0.00 0.00 36.38 33.25 1mx7 s VAL 96 CO 0.01 0.43 0.37 0.00 -3.33 0.00 0.00 175.10 172.58 1mx7 s GLN 97 N -0.92 0.53 0.03 1.54 -2.07 -1.25 -2.70 119.66 114.81 1mx7 s GLN 97 Ca 0.10 -0.50 -0.30 0.00 -1.82 0.00 0.00 55.36 52.84 1mx7 s GLN 97 Cb -0.10 -0.62 -0.09 0.00 -1.09 0.00 0.00 33.01 31.12 1mx7 s GLN 97 CO 0.01 -1.13 1.98 1.17 -1.32 0.00 0.00 175.29 176.00 1mx7 n LYS 98 N 4.71 2.86 -0.07 9.60 3.00 -1.24 -4.79 118.16 132.22 1mx7 n LYS 98 Ca 0.06 1.05 0.00 0.00 -0.00 0.00 0.00 58.31 59.42 1mx7 n LYS 98 Cb 0.46 -3.01 0.00 0.00 0.00 0.00 0.00 35.03 32.48 1mx7 n LYS 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1mx7 n GLY 99 N 4.57 5.82 0.59 3.14 0.00 -1.26 -4.02 105.19 114.03 1mx7 n GLY 99 Ca 0.20 -1.59 0.10 0.00 0.00 0.00 0.00 46.02 44.74 1mx7 n GLY 99 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mx7 n GLU 100 N 0.00 1.78 -2.86 1.61 1.02 -1.26 -4.96 120.64 115.97 1mx7 n GLU 100 Ca 0.00 -1.17 -0.16 0.00 -0.02 0.00 0.00 57.16 55.81 1mx7 n GLU 100 Cb 0.00 -1.40 0.01 0.00 -0.02 0.00 0.00 31.44 30.03 1mx7 n GLU 100 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1mx7 n LYS 101 N 0.40 0.92 0.30 3.49 4.76 -1.26 -5.06 118.16 121.70 1mx7 n LYS 101 Ca 0.16 -2.18 -0.12 0.00 -2.87 0.00 0.00 58.31 53.30 1mx7 n LYS 101 Cb 0.35 0.16 -0.06 0.00 -1.84 0.00 0.00 35.03 33.64 1mx7 n LYS 101 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1mx7 h GLU 102 N 0.00 -0.76 -3.32 1.97 3.07 -1.93 -3.46 114.58 110.15 1mx7 h GLU 102 Ca -0.22 0.05 -0.29 0.00 -0.50 0.00 0.00 59.36 58.41 1mx7 h GLU 102 Cb 0.82 0.17 -0.34 0.00 -0.84 0.00 0.00 28.75 28.56 1mx7 h GLU 102 CO 0.33 -0.51 -0.66 0.20 -1.40 0.00 0.00 179.01 176.97 1mx7 s GLY 103 N -2.45 0.05 -0.08 -3.84 0.00 -1.26 -4.95 107.32 94.79 1mx7 s GLY 103 Ca -0.12 0.48 -0.04 0.00 0.00 0.00 0.00 44.72 45.05 1mx7 s GLY 103 CO 0.35 1.05 0.18 0.50 0.00 0.00 0.00 173.10 175.18 1mx7 s ARG 104 N 1.43 0.11 0.00 2.90 0.52 -1.26 -1.02 118.95 121.64 1mx7 s ARG 104 Ca -0.06 0.46 0.00 0.00 -0.52 0.00 0.00 55.73 55.62 1mx7 s ARG 104 Cb -0.12 -0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.18 1mx7 s ARG 104 CO -0.05 -0.19 0.00 0.41 0.02 0.00 0.00 175.30 175.49 1mx7 n GLY 105 N 4.45 1.04 3.11 -3.53 0.00 -1.24 -3.97 105.19 105.04 1mx7 n GLY 105 Ca -0.22 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 1mx7 n GLY 105 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1mx7 s TRP 106 N -2.00 3.46 -1.12 1.61 0.51 -1.19 -2.34 118.94 117.86 1mx7 s TRP 106 Ca 0.00 -2.35 -0.08 0.00 -2.12 0.00 0.00 56.10 51.55 1mx7 s TRP 106 Cb 0.00 -2.53 0.27 0.00 -0.81 0.00 0.00 33.47 30.40 1mx7 s TRP 106 CO 0.00 -0.89 1.27 2.41 -0.51 0.00 0.00 176.95 179.23 1mx7 n THR 107 N 4.50 4.75 -2.21 2.01 -1.04 -1.26 -2.17 114.28 118.85 1mx7 n THR 107 Ca -0.07 -5.44 -0.43 0.00 -2.04 0.00 0.00 64.05 56.07 1mx7 n THR 107 Cb 0.42 -2.44 -0.02 0.00 -1.82 0.00 0.00 70.33 66.47 1mx7 n THR 107 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1mx7 s GLN 108 N -1.38 3.60 -0.32 -2.82 1.11 -1.12 -3.01 119.66 115.72 1mx7 s GLN 108 Ca 0.32 1.27 -0.03 0.00 0.01 0.00 0.00 55.36 56.93 1mx7 s GLN 108 Cb -0.05 -4.06 0.05 0.00 -1.01 0.00 0.00 33.01 27.95 1mx7 s GLN 108 CO -0.02 -1.53 0.03 -0.46 0.01 0.00 0.00 175.29 173.33 1mx7 s TRP 109 N 5.64 3.28 0.43 0.91 -0.00 -0.24 -0.62 118.94 128.35 1mx7 s TRP 109 Ca 0.68 -1.81 -0.22 0.00 -0.00 0.00 0.00 56.10 54.74 1mx7 s TRP 109 Cb -0.19 -2.22 -0.09 0.00 -0.00 0.00 0.00 33.47 30.97 1mx7 s TRP 109 CO 0.31 -0.80 1.01 0.42 -0.00 0.00 0.00 176.95 177.90 1mx7 s ILE 110 N 1.28 3.93 -0.45 5.86 1.01 -1.25 -0.32 121.20 131.26 1mx7 s ILE 110 Ca -0.04 1.33 0.09 0.00 0.00 0.00 0.00 60.65 62.04 1mx7 s ILE 110 Cb -0.20 -3.61 0.36 0.00 0.01 0.00 0.00 42.46 39.02 1mx7 s ILE 110 CO -0.00 -0.14 0.86 -0.62 0.00 0.00 0.00 174.94 175.04 1mx7 n GLU 111 N -0.44 2.04 0.00 2.79 4.71 -0.28 -4.90 120.64 124.55 1mx7 n GLU 111 Ca 0.07 -4.03 0.00 0.00 -0.01 0.00 0.00 57.16 53.19 1mx7 n GLU 111 Cb 0.52 -1.92 0.00 0.00 -1.01 0.00 0.00 31.44 29.03 1mx7 n GLU 111 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1mx7 n GLY 112 N -0.00 0.78 1.55 0.62 0.00 -1.26 -2.92 105.19 103.95 1mx7 n GLY 112 Ca 0.27 0.47 -0.10 0.00 0.00 0.00 0.00 46.02 46.66 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 5.49 3.35 -3.79 1.61 8.00 -1.26 -4.89 116.55 125.06 1mx7 n ASP 113 Ca 0.00 -2.74 -0.10 0.00 0.71 0.00 0.00 54.79 52.66 1mx7 n ASP 113 Cb 0.00 -0.66 -0.05 0.00 -0.02 0.00 0.00 41.12 40.39 1mx7 n ASP 113 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1mx7 s GLU 114 N -1.61 1.24 -0.21 -1.24 2.02 -1.15 -2.28 118.70 115.47 1mx7 s GLU 114 Ca 0.27 -0.93 -0.03 0.00 0.02 0.00 0.00 54.97 54.30 1mx7 s GLU 114 Cb 0.23 0.46 0.07 0.00 0.10 0.00 0.00 34.13 34.99 1mx7 s GLU 114 CO 0.05 -0.50 0.04 -1.17 0.02 0.00 0.00 175.26 173.71 1mx7 s LEU 115 N -2.89 1.28 -0.51 1.80 0.20 -1.25 -1.13 118.68 116.19 1mx7 s LEU 115 Ca 0.10 -0.92 -0.12 0.00 0.69 0.00 0.00 54.13 53.88 1mx7 s LEU 115 Cb 0.01 -0.62 0.13 0.00 -0.43 0.00 0.00 46.19 45.27 1mx7 s LEU 115 CO -0.04 -0.32 0.42 -2.28 -0.29 0.00 0.00 176.35 173.85 1mx7 s HIS 116 N 1.84 3.36 -0.25 5.38 5.65 0.57 -1.77 115.29 130.07 1mx7 s HIS 116 Ca 0.00 -1.64 -0.11 0.00 0.25 0.00 0.00 55.06 53.56 1mx7 s HIS 116 Cb -0.17 -3.63 -0.05 0.00 -1.18 0.00 0.00 32.58 27.55 1mx7 s HIS 116 CO -0.11 -1.00 0.18 -1.17 -0.65 0.00 0.00 174.74 171.99 1mx7 s LEU 117 N 1.42 4.09 -1.10 8.88 2.96 -1.06 -1.07 118.68 132.79 1mx7 s LEU 117 Ca 0.05 0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 54.00 1mx7 s LEU 117 Cb -0.27 -2.13 0.29 0.00 0.50 0.00 0.00 46.19 44.58 1mx7 s LEU 117 CO 0.01 0.03 1.36 -0.62 -1.32 0.00 0.00 176.35 175.81 1mx7 n GLU 118 N 4.50 4.13 -1.72 1.98 1.02 -1.17 -2.26 120.64 127.12 1mx7 n GLU 118 Ca -0.14 -4.49 -0.42 0.00 -0.02 0.00 0.00 57.16 52.08 1mx7 n GLU 118 Cb 0.52 -2.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.40 1mx7 n GLU 118 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1mx7 n MET 119 N 1.89 2.21 -4.33 3.49 1.56 -0.90 -4.10 117.12 116.94 1mx7 n MET 119 Ca 0.26 0.78 -0.21 0.00 -0.27 0.00 0.00 57.70 58.26 1mx7 n MET 119 Cb 0.35 -2.43 -0.11 0.00 2.15 0.00 0.00 33.22 33.18 1mx7 n MET 119 CO 0.00 0.00 0.00 0.50 -0.73 0.00 0.00 175.97 175.74 1mx7 s ARG 120 N -2.03 1.27 0.00 2.12 6.06 -0.99 -1.96 118.95 123.42 1mx7 s ARG 120 Ca 0.56 -1.43 0.00 0.00 -2.50 0.00 0.00 55.73 52.37 1mx7 s ARG 120 Cb -0.53 -1.26 0.00 0.00 0.06 0.00 0.00 34.95 33.22 1mx7 s ARG 120 CO 0.61 0.25 0.00 0.00 -2.50 0.00 0.00 175.30 173.66 1mx7 n ALA 121 N 0.19 0.00 -3.18 6.12 0.00 -0.88 -3.73 120.51 119.02 1mx7 n ALA 121 Ca -0.12 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.10 1mx7 n ALA 121 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 0.00 -3.39 -0.49 0.00 2.13 -0.19 -0.28 120.64 118.42 1mx7 n GLU 122 Ca 0.00 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.36 1mx7 n GLU 122 Cb 0.00 -5.24 0.00 0.00 0.27 0.00 0.00 31.44 26.47 1mx7 n GLU 122 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1mx7 n GLY 123 N -1.15 1.34 3.51 8.31 0.00 -1.25 -4.82 105.19 111.12 1mx7 n GLY 123 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.24 5.02 -0.45 1.61 1.01 0.62 -5.02 120.40 119.94 1mx7 s VAL 124 Ca 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.73 1mx7 s VAL 124 Cb 0.00 -4.05 0.06 0.00 0.00 0.00 0.00 36.38 32.39 1mx7 s VAL 124 CO 0.00 -0.41 0.35 -0.89 0.00 0.00 0.00 175.10 174.15 1mx7 s THR 125 N 2.33 5.07 0.03 3.92 2.01 -1.26 -2.08 115.64 125.67 1mx7 s THR 125 Ca 0.16 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 61.14 1mx7 s THR 125 Cb -0.16 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 1mx7 s THR 125 CO 0.15 -0.50 0.07 0.00 -0.69 0.00 0.00 174.62 173.64 1mx7 s LYS 127 N -1.99 1.98 -0.10 0.00 1.02 -1.26 -2.13 119.74 117.26 1mx7 s LYS 127 Ca 0.25 -1.08 -0.03 0.00 0.02 0.00 0.00 55.97 55.13 1mx7 s LYS 127 Cb -0.12 -2.22 0.04 0.00 -0.52 0.00 0.00 37.83 35.01 1mx7 s LYS 127 CO 0.17 0.50 0.06 -0.65 -0.92 0.00 0.00 175.35 174.50 1mx7 s GLN 128 N -2.11 0.18 -0.48 1.68 -0.21 -0.96 -3.37 119.66 114.39 1mx7 s GLN 128 Ca 0.19 0.10 -0.17 0.00 0.02 0.00 0.00 55.36 55.50 1mx7 s GLN 128 Cb -0.11 -1.19 0.06 0.00 1.00 0.00 0.00 33.01 32.77 1mx7 s GLN 128 CO 0.11 -0.46 0.49 0.08 -2.12 0.00 0.00 175.29 173.39 1mx7 s VAL 129 N 2.09 5.07 0.61 1.09 1.01 -1.15 -2.57 120.40 126.56 1mx7 s VAL 129 Ca 0.03 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1mx7 s VAL 129 Cb -0.14 -4.17 0.06 0.00 0.00 0.00 0.00 36.38 32.13 1mx7 s VAL 129 CO -0.06 -0.63 0.85 -0.36 0.00 0.00 0.00 175.10 174.90 1mx7 s PHE 130 N 2.10 2.42 -0.05 5.22 0.08 -0.73 0.15 117.98 127.18 1mx7 s PHE 130 Ca 0.10 -0.10 -0.02 0.00 0.12 0.00 0.00 56.93 57.03 1mx7 s PHE 130 Cb -0.21 -2.83 0.03 0.00 -0.57 0.00 0.00 43.02 39.45 1mx7 s PHE 130 CO 0.10 -1.16 0.08 0.21 -0.10 0.00 0.00 175.22 174.35 1mx7 s LYS 131 N -4.90 -0.04 0.30 0.44 2.47 0.31 -3.76 119.74 114.56 1mx7 s LYS 131 Ca 0.60 0.39 -0.29 0.00 -1.56 0.00 0.00 55.97 55.11 1mx7 s LYS 131 Cb -0.09 -0.40 -0.10 0.00 -1.46 0.00 0.00 37.83 35.78 1mx7 s LYS 131 CO 0.40 -0.29 1.29 0.21 0.16 0.00 0.00 175.35 177.13 1mx7 s LYS 132 N 1.97 4.39 -0.40 4.03 2.20 -0.97 -0.85 119.74 130.11 1mx7 s LYS 132 Ca 0.02 2.15 0.10 0.00 -0.36 0.00 0.00 55.97 57.88 1mx7 s LYS 132 Cb -0.12 -3.10 0.37 0.00 -1.51 0.00 0.00 37.83 33.47 1mx7 s LYS 132 CO -0.04 -0.17 1.13 1.33 -0.36 0.00 0.00 175.35 177.25 1mx7 n VAL 133 N 1.22 0.14 1.84 4.02 0.24 -1.17 -4.90 118.33 119.71 1mx7 n VAL 133 Ca 0.01 -2.17 0.15 0.00 -2.04 0.00 0.00 64.34 60.29 1mx7 n VAL 133 Cb 0.42 0.93 0.87 0.00 -1.47 0.00 0.00 33.84 34.60 1mx7 n VAL 133 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69