#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ex7 s ASP 4 N 0.00 6.79 0.04 4.04 1.11 -1.26 -4.72 116.67 122.67 3ex7 s ASP 4 Ca 0.00 2.46 0.09 0.00 0.18 0.00 0.00 52.55 55.28 3ex7 s ASP 4 Cb 0.00 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.36 3ex7 s ASP 4 CO 0.00 -0.64 -0.26 0.12 1.18 0.00 0.00 175.17 175.57 3ex7 s PHE 5 N 0.49 2.31 -0.12 4.23 5.36 -1.26 0.28 117.98 129.27 3ex7 s PHE 5 Ca 0.61 -0.42 -0.10 0.00 -0.96 0.00 0.00 56.93 56.07 3ex7 s PHE 5 Cb -0.39 -1.39 0.04 0.00 -0.34 0.00 0.00 43.02 40.94 3ex7 s PHE 5 CO 0.36 0.11 0.31 -0.47 -1.46 0.00 0.00 175.22 174.07 3ex7 s TYR 6 N -0.79 -0.37 -0.06 10.12 5.04 -0.39 -2.72 117.35 128.18 3ex7 s TYR 6 Ca 0.11 0.89 -0.05 0.00 -2.44 0.00 0.00 57.07 55.58 3ex7 s TYR 6 Cb -0.10 0.12 0.02 0.00 0.35 0.00 0.00 41.96 42.35 3ex7 s TYR 6 CO 0.02 -0.20 0.15 -1.17 -1.34 0.00 0.00 175.55 173.01 3ex7 s LEU 7 N 0.48 1.30 -0.01 6.97 0.20 -1.07 -0.20 118.68 126.36 3ex7 s LEU 7 Ca -0.03 0.31 0.01 0.00 0.69 0.00 0.00 54.13 55.11 3ex7 s LEU 7 Cb -0.04 0.50 0.01 0.00 -0.43 0.00 0.00 46.19 46.23 3ex7 s LEU 7 CO -0.03 -0.07 -0.02 -0.60 -0.29 0.00 0.00 176.35 175.35 3ex7 s ARG 8 N 0.26 0.24 -0.02 1.98 3.52 -0.17 -0.81 118.95 123.95 3ex7 s ARG 8 Ca -0.01 -0.03 0.05 0.00 -0.13 0.00 0.00 55.73 55.61 3ex7 s ARG 8 Cb -0.03 -0.31 -0.01 0.00 -1.56 0.00 0.00 34.95 33.04 3ex7 s ARG 8 CO -0.01 -0.02 -0.16 -0.47 -0.81 0.00 0.00 175.30 173.83 3ex7 s TYR 9 N 0.37 1.46 -0.01 5.12 5.04 -0.34 -0.50 117.35 128.49 3ex7 s TYR 9 Ca -0.03 -0.29 0.01 0.00 -2.44 0.00 0.00 57.07 54.31 3ex7 s TYR 9 Cb -0.06 -0.95 0.01 0.00 0.35 0.00 0.00 41.96 41.31 3ex7 s TYR 9 CO -0.01 -0.04 -0.02 -0.47 -1.34 0.00 0.00 175.55 173.68 3ex7 s TYR 10 N -0.33 0.26 0.01 4.97 5.04 0.38 -1.29 117.35 126.39 3ex7 s TYR 10 Ca 0.05 -0.03 0.01 0.00 -2.44 0.00 0.00 57.07 54.67 3ex7 s TYR 10 Cb -0.07 -0.24 -0.01 0.00 0.35 0.00 0.00 41.96 42.00 3ex7 s TYR 10 CO -0.00 -0.05 -0.04 0.54 -1.34 0.00 0.00 175.55 174.66 3ex7 s VAL 11 N 0.31 0.31 0.00 3.14 0.11 -0.04 -0.36 120.40 123.86 3ex7 s VAL 11 Ca -0.03 -0.40 0.00 0.00 -2.93 0.00 0.00 61.98 58.62 3ex7 s VAL 11 Cb -0.05 -0.31 0.00 0.00 -1.53 0.00 0.00 36.38 34.49 3ex7 s VAL 11 CO -0.01 -0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.30 3ex7 n GLY 12 N 2.56 -0.88 3.81 6.54 0.00 -0.51 -0.96 105.19 115.75 3ex7 n GLY 12 Ca -0.16 -1.05 -0.08 0.00 0.00 0.00 0.00 46.02 44.74 3ex7 n GLY 12 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3ex7 s HIS 13 N -2.00 -0.05 -0.20 1.61 -3.43 -0.63 -1.16 115.29 109.43 3ex7 s HIS 13 Ca 0.00 -0.44 0.00 0.00 -0.80 0.00 0.00 55.06 53.83 3ex7 s HIS 13 Cb 0.00 0.66 0.05 0.00 -1.43 0.00 0.00 32.58 31.86 3ex7 s HIS 13 CO 0.00 -1.27 -0.06 0.15 -2.00 0.00 0.00 174.74 171.56 3ex7 s LYS 14 N -3.62 1.62 0.00 -0.38 1.02 -1.26 -1.70 119.74 115.42 3ex7 s LYS 14 Ca 0.13 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.36 3ex7 s LYS 14 Cb -0.05 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 34.94 3ex7 s LYS 14 CO 0.08 -0.50 0.00 0.41 -0.92 0.00 0.00 175.35 174.42 3ex7 n GLY 15 N 4.76 5.11 0.58 -3.33 0.00 -1.00 -4.99 105.19 106.32 3ex7 n GLY 15 Ca -0.13 -1.05 0.43 0.00 0.00 0.00 0.00 46.02 45.27 3ex7 n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ex7 h LYS 16 N 0.00 0.04 -0.38 1.61 3.64 -2.03 -1.41 116.57 118.05 3ex7 h LYS 16 Ca 0.00 -0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 3ex7 h LYS 16 Cb 0.00 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 31.69 3ex7 h LYS 16 CO 0.00 0.03 -0.10 1.19 -2.27 0.00 0.00 179.45 178.30 3ex7 n PHE 17 N -4.27 1.19 -3.45 1.91 3.72 -1.26 -4.99 117.46 110.30 3ex7 n PHE 17 Ca 0.37 -1.67 0.00 0.00 -0.05 0.00 0.00 57.45 56.10 3ex7 n PHE 17 Cb 1.61 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 39.64 3ex7 n PHE 17 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ex7 n GLY 18 N -1.11 -0.88 3.47 1.37 0.00 -0.53 -2.19 105.19 105.32 3ex7 n GLY 18 Ca 0.34 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 3ex7 n GLY 18 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ex7 s HIS 19 N 0.00 2.95 -0.43 1.61 5.65 -1.26 -2.37 115.29 121.43 3ex7 s HIS 19 Ca 0.00 -1.17 -0.23 0.00 0.25 0.00 0.00 55.06 53.91 3ex7 s HIS 19 Cb 0.00 -4.36 0.02 0.00 -1.18 0.00 0.00 32.58 27.06 3ex7 s HIS 19 CO 0.00 -1.60 0.78 -1.21 -0.65 0.00 0.00 174.74 172.06 3ex7 s GLU 20 N 3.31 3.47 0.03 2.88 2.02 -0.69 -4.46 118.70 125.27 3ex7 s GLU 20 Ca 0.34 -0.04 -0.06 0.00 0.02 0.00 0.00 54.97 55.23 3ex7 s GLU 20 Cb -0.06 -3.91 -0.01 0.00 0.10 0.00 0.00 34.13 30.25 3ex7 s GLU 20 CO -0.07 -1.06 0.10 -0.59 0.02 0.00 0.00 175.26 173.67 3ex7 s PHE 21 N 3.23 0.18 -0.07 1.61 -0.12 -0.71 -1.60 117.98 120.50 3ex7 s PHE 21 Ca 0.30 -0.46 0.05 0.00 -0.05 0.00 0.00 56.93 56.76 3ex7 s PHE 21 Cb -0.12 -0.13 -0.01 0.00 -0.63 0.00 0.00 43.02 42.12 3ex7 s PHE 21 CO 0.21 -0.36 -0.21 -1.17 -0.05 0.00 0.00 175.22 173.64 3ex7 s LEU 22 N -2.04 2.28 -0.02 -1.99 2.96 -0.13 -0.04 118.68 119.70 3ex7 s LEU 22 Ca -0.06 -0.43 -0.12 0.00 -0.22 0.00 0.00 54.13 53.30 3ex7 s LEU 22 Cb -0.02 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 45.25 3ex7 s LEU 22 CO -0.04 0.25 0.26 -0.70 -1.32 0.00 0.00 176.35 174.79 3ex7 s GLU 23 N -0.16 0.58 0.16 1.98 2.12 -0.25 -0.86 118.70 122.27 3ex7 s GLU 23 Ca -0.03 -0.19 -0.12 0.00 0.36 0.00 0.00 54.97 54.99 3ex7 s GLU 23 Cb -0.14 0.25 0.01 0.00 0.26 0.00 0.00 34.13 34.51 3ex7 s GLU 23 CO 0.04 -0.15 0.35 -0.59 -0.54 0.00 0.00 175.26 174.37 3ex7 s PHE 24 N -1.18 0.18 -0.23 5.30 -0.12 -0.41 -1.13 117.98 120.39 3ex7 s PHE 24 Ca -0.12 -0.54 -0.14 0.00 -0.05 0.00 0.00 56.93 56.08 3ex7 s PHE 24 Cb -0.06 0.10 0.07 0.00 -0.63 0.00 0.00 43.02 42.50 3ex7 s PHE 24 CO 0.03 -0.76 0.57 -2.00 -0.05 0.00 0.00 175.22 173.01 3ex7 s GLU 25 N -3.92 0.58 -0.35 1.99 2.12 -0.33 -1.20 118.70 117.60 3ex7 s GLU 25 Ca 0.13 1.01 -0.07 0.00 0.36 0.00 0.00 54.97 56.40 3ex7 s GLU 25 Cb 0.02 0.09 0.04 0.00 0.26 0.00 0.00 34.13 34.55 3ex7 s GLU 25 CO -0.03 -0.15 0.13 -0.06 -0.54 0.00 0.00 175.26 174.61 3ex7 s PHE 26 N 1.42 3.27 0.70 5.30 0.40 0.01 -0.65 117.98 128.43 3ex7 s PHE 26 Ca -0.09 -1.41 -0.11 0.00 -0.60 0.00 0.00 56.93 54.72 3ex7 s PHE 26 Cb -0.06 -2.36 0.01 0.00 0.51 0.00 0.00 43.02 41.12 3ex7 s PHE 26 CO -0.15 -0.74 1.07 1.03 0.70 0.00 0.00 175.22 177.13 3ex7 s ARG 27 N 1.41 2.89 0.50 0.44 1.81 0.01 -2.59 118.95 123.42 3ex7 s ARG 27 Ca -0.01 0.70 0.19 0.00 -1.72 0.00 0.00 55.73 54.89 3ex7 s ARG 27 Cb -0.20 -2.00 1.27 0.00 -0.45 0.00 0.00 34.95 33.57 3ex7 s ARG 27 CO 0.03 -1.07 2.09 -1.35 -0.68 0.00 0.00 175.30 174.32 3ex7 h PRO 28 N -0.69 0.00 0.00 3.54 0.11 -1.85 -0.72 132.00 132.40 3ex7 h PRO 28 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3ex7 h PRO 28 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3ex7 h PRO 28 CO 0.60 0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 3ex7 n ASP 29 N -4.23 0.00 0.00 -2.05 5.68 -1.26 -4.81 116.55 109.88 3ex7 n ASP 29 Ca -0.03 -1.20 0.00 0.00 -0.50 0.00 0.00 54.79 53.06 3ex7 n ASP 29 Cb 0.17 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 3ex7 n ASP 29 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ex7 n GLY 30 N 0.42 0.76 3.68 6.12 0.00 -0.28 -4.88 105.19 111.02 3ex7 n GLY 30 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3ex7 n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ex7 s LYS 31 N -0.26 4.30 -0.24 1.61 2.20 -1.25 -0.28 119.74 125.82 3ex7 s LYS 31 Ca 0.00 1.76 -0.09 0.00 -0.36 0.00 0.00 55.97 57.28 3ex7 s LYS 31 Cb 0.00 -3.64 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 3ex7 s LYS 31 CO 0.00 -0.56 0.12 -1.17 -0.36 0.00 0.00 175.35 173.37 3ex7 s LEU 32 N 2.68 3.80 -0.12 5.43 2.96 0.26 -0.81 118.68 132.88 3ex7 s LEU 32 Ca 0.58 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.47 3ex7 s LEU 32 Cb -0.26 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.40 3ex7 s LEU 32 CO 0.21 0.03 -0.15 -0.13 -1.32 0.00 0.00 176.35 175.00 3ex7 s ARG 33 N 1.24 3.31 -0.02 1.98 0.52 0.18 -1.47 118.95 124.69 3ex7 s ARG 33 Ca 0.06 -0.71 0.07 0.00 -0.52 0.00 0.00 55.73 54.62 3ex7 s ARG 33 Cb -0.14 -2.57 -0.02 0.00 0.52 0.00 0.00 34.95 32.74 3ex7 s ARG 33 CO 0.05 0.22 -0.22 -0.47 0.02 0.00 0.00 175.30 174.90 3ex7 s TYR 34 N 0.31 1.99 -0.03 -0.53 5.04 0.11 -1.18 117.35 123.05 3ex7 s TYR 34 Ca -0.12 -0.39 -0.02 0.00 -2.44 0.00 0.00 57.07 54.10 3ex7 s TYR 34 Cb -0.16 -1.28 0.02 0.00 0.35 0.00 0.00 41.96 40.89 3ex7 s TYR 34 CO 0.06 -0.04 0.08 0.00 -1.34 0.00 0.00 175.55 174.31 3ex7 s ALA 35 N -0.49 -0.14 -0.24 3.97 0.00 -0.28 -1.40 121.76 123.18 3ex7 s ALA 35 Ca 0.08 0.34 -0.02 0.00 0.00 0.00 0.00 51.96 52.35 3ex7 s ALA 35 Cb -0.09 -0.23 0.08 0.00 0.00 0.00 0.00 23.12 22.88 3ex7 s ALA 35 CO -0.01 -0.08 0.07 1.21 0.00 0.00 0.00 175.76 176.95 3ex7 s ASN 36 N 0.53 3.33 -0.13 0.00 3.84 0.49 -1.09 114.94 121.91 3ex7 s ASN 36 Ca -0.04 -1.13 -0.06 0.00 0.21 0.00 0.00 52.86 51.84 3ex7 s ASN 36 Cb -0.06 -0.65 -0.04 0.00 -0.55 0.00 0.00 41.25 39.96 3ex7 s ASN 36 CO -0.02 -0.36 0.09 0.21 -2.79 0.00 0.00 177.10 174.23 3ex7 s ASN 37 N 1.82 5.92 -0.19 -4.21 2.47 0.94 -1.62 114.94 120.07 3ex7 s ASN 37 Ca 0.03 0.30 -0.24 0.00 0.42 0.00 0.00 52.86 53.37 3ex7 s ASN 37 Cb -0.17 -1.88 0.06 0.00 -1.45 0.00 0.00 41.25 37.81 3ex7 s ASN 37 CO -0.17 0.35 0.64 -0.55 -3.72 0.00 0.00 177.10 173.65 3ex7 s SER 38 N -0.66 -0.65 -0.19 -4.21 0.15 -1.26 -1.74 113.70 105.14 3ex7 s SER 38 Ca 0.12 1.11 0.16 0.00 0.70 0.00 0.00 55.95 58.04 3ex7 s SER 38 Cb -0.12 1.10 0.50 0.00 -1.71 0.00 0.00 66.02 65.79 3ex7 s SER 38 CO 0.02 -0.32 1.40 0.59 1.20 0.00 0.00 173.24 176.13 3ex7 n ASN 39 N 2.24 3.46 -4.65 5.45 3.02 -0.93 -2.66 115.26 121.18 3ex7 n ASN 39 Ca -0.15 -3.16 -0.48 0.00 -0.03 0.00 0.00 54.58 50.76 3ex7 n ASN 39 Cb 0.56 -0.55 -0.05 0.00 -0.61 0.00 0.00 39.78 39.13 3ex7 n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ex7 n TYR 40 N -0.73 2.10 -4.46 3.10 9.36 -1.25 -0.75 117.16 124.54 3ex7 n TYR 40 Ca 0.23 0.34 -0.40 0.00 3.32 0.00 0.00 57.90 61.39 3ex7 n TYR 40 Cb 0.89 -2.50 -0.08 0.00 -0.63 0.00 0.00 39.34 37.02 3ex7 n TYR 40 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3ex7 n LYS 41 N 3.43 -1.08 -1.24 2.98 5.02 -1.26 -1.06 118.16 124.96 3ex7 n LYS 41 Ca 0.18 0.16 -0.08 0.00 -2.02 0.00 0.00 58.31 56.55 3ex7 n LYS 41 Cb 0.26 -4.53 -0.03 0.00 -0.02 0.00 0.00 35.03 30.71 3ex7 n LYS 41 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ex7 n ASN 42 N -2.58 -4.28 -3.76 4.39 3.02 0.07 -5.02 115.26 107.10 3ex7 n ASN 42 Ca 0.02 0.20 -0.30 0.00 -0.03 0.00 0.00 54.58 54.47 3ex7 n ASN 42 Cb 0.51 -2.50 0.27 0.00 -0.61 0.00 0.00 39.78 37.45 3ex7 n ASN 42 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ex7 s ASP 43 N -2.71 -0.31 0.21 6.41 -1.08 -0.22 -4.93 116.67 114.04 3ex7 s ASP 43 Ca 0.00 0.99 0.06 0.00 -0.52 0.00 0.00 52.55 53.08 3ex7 s ASP 43 Cb 0.00 -1.45 -0.05 0.00 -1.46 0.00 0.00 42.92 39.97 3ex7 s ASP 43 CO 0.00 -4.92 -0.10 0.68 0.52 0.00 0.00 175.17 171.35 3ex7 s VAL 44 N -2.42 1.52 0.30 1.11 -7.23 -1.09 -4.11 120.40 108.49 3ex7 s VAL 44 Ca 0.69 -2.14 -0.29 0.00 -1.81 0.00 0.00 61.98 58.43 3ex7 s VAL 44 Cb -0.16 -2.13 -0.13 0.00 0.56 0.00 0.00 36.38 34.52 3ex7 s VAL 44 CO 0.59 -0.53 1.22 0.80 -0.31 0.00 0.00 175.10 176.87 3ex7 n MET 45 N -0.40 1.84 -4.36 4.82 0.00 -1.26 -4.25 117.12 113.52 3ex7 n MET 45 Ca -0.07 0.65 -0.33 0.00 -0.00 0.00 0.00 57.70 57.94 3ex7 n MET 45 Cb 0.61 -2.17 -0.16 0.00 0.00 0.00 0.00 33.22 31.50 3ex7 n MET 45 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3ex7 s ILE 46 N -0.89 2.22 -0.06 1.12 1.01 -0.64 -5.00 121.20 118.96 3ex7 s ILE 46 Ca 0.59 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 60.39 3ex7 s ILE 46 Cb -0.63 -1.92 -0.01 0.00 0.01 0.00 0.00 42.46 39.91 3ex7 s ILE 46 CO 0.59 0.53 -0.25 -0.13 0.00 0.00 0.00 174.94 175.69 3ex7 s ARG 47 N 1.07 2.61 0.01 2.79 0.52 -1.26 -0.38 118.95 124.31 3ex7 s ARG 47 Ca -0.01 -0.89 0.00 0.00 -0.52 0.00 0.00 55.73 54.31 3ex7 s ARG 47 Cb -0.14 -2.17 -0.01 0.00 0.52 0.00 0.00 34.95 33.15 3ex7 s ARG 47 CO -0.07 0.34 -0.02 0.15 0.02 0.00 0.00 175.30 175.73 3ex7 s LYS 48 N -0.08 0.15 0.24 3.54 1.02 -0.49 -5.01 119.74 119.11 3ex7 s LYS 48 Ca -0.06 -0.29 -0.15 0.00 0.02 0.00 0.00 55.97 55.49 3ex7 s LYS 48 Cb -0.14 0.04 0.01 0.00 -0.52 0.00 0.00 37.83 37.21 3ex7 s LYS 48 CO 0.05 -0.02 0.51 -1.83 -0.92 0.00 0.00 175.35 173.14 3ex7 s GLU 49 N -0.68 1.53 -0.02 1.68 -1.05 -1.26 0.04 118.70 118.93 3ex7 s GLU 49 Ca -0.07 -1.13 -0.30 0.00 -0.15 0.00 0.00 54.97 53.31 3ex7 s GLU 49 Cb -0.05 0.50 0.12 0.00 -0.44 0.00 0.00 34.13 34.26 3ex7 s GLU 49 CO -0.00 -0.64 1.28 0.00 0.95 0.00 0.00 175.26 176.84 3ex7 s ALA 50 N -3.97 -2.23 -0.35 -0.84 0.00 -0.54 -4.99 121.76 108.84 3ex7 s ALA 50 Ca 0.18 0.71 -0.11 0.00 0.00 0.00 0.00 51.96 52.74 3ex7 s ALA 50 Cb -0.01 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.46 3ex7 s ALA 50 CO 0.06 -1.04 0.20 0.71 0.00 0.00 0.00 175.76 175.69 3ex7 s TYR 51 N -2.44 3.21 0.41 0.00 1.51 -1.26 0.90 117.35 119.69 3ex7 s TYR 51 Ca 0.14 -0.59 -0.13 0.00 -1.01 0.00 0.00 57.07 55.48 3ex7 s TYR 51 Cb 0.05 -2.43 -0.07 0.00 -0.11 0.00 0.00 41.96 39.39 3ex7 s TYR 51 CO -0.04 -0.50 0.81 0.14 -1.11 0.00 0.00 175.55 174.86 3ex7 s VAL 52 N 1.63 4.70 0.61 0.71 -7.23 0.62 -4.96 120.40 116.48 3ex7 s VAL 52 Ca 0.04 0.83 -0.16 0.00 -1.81 0.00 0.00 61.98 60.89 3ex7 s VAL 52 Cb -0.18 -3.70 -0.03 0.00 0.56 0.00 0.00 36.38 33.03 3ex7 s VAL 52 CO 0.08 -0.48 1.08 -2.28 -0.31 0.00 0.00 175.10 173.18 3ex7 s HIS 53 N -2.34 2.86 0.45 2.82 2.46 -1.26 -4.70 115.29 115.57 3ex7 s HIS 53 Ca 0.54 1.52 0.23 0.00 0.47 0.00 0.00 55.06 57.83 3ex7 s HIS 53 Cb -0.10 -3.07 1.23 0.00 -0.13 0.00 0.00 32.58 30.51 3ex7 s HIS 53 CO 0.28 -1.31 1.81 1.57 -2.47 0.00 0.00 174.74 174.62 3ex7 h LYS 54 N 0.34 0.26 -0.31 2.88 2.10 -1.97 0.29 116.57 120.17 3ex7 h LYS 54 Ca -0.47 -0.02 -0.06 0.00 -2.00 0.00 0.00 60.65 58.10 3ex7 h LYS 54 Cb 1.23 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 32.48 3ex7 h LYS 54 CO 0.56 0.17 -0.08 0.66 -2.00 0.00 0.00 179.45 178.77 3ex7 h SER 55 N 0.27 0.48 0.26 7.07 4.64 -1.99 0.15 113.55 124.43 3ex7 h SER 55 Ca 0.54 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.74 3ex7 h SER 55 Cb 1.61 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 3ex7 h SER 55 CO -0.18 0.61 -0.13 0.58 -0.87 0.00 0.00 176.83 176.84 3ex7 h VAL 56 N 0.47 0.78 -0.64 0.95 2.07 -0.78 0.16 116.25 119.27 3ex7 h VAL 56 Ca 0.09 -0.28 0.13 0.00 0.82 0.00 0.00 66.70 67.47 3ex7 h VAL 56 Cb 0.43 0.94 -0.11 0.00 -1.52 0.00 0.00 31.29 31.03 3ex7 h VAL 56 CO 0.02 0.06 0.02 0.24 0.02 0.00 0.00 177.57 177.94 3ex7 h MET 57 N -0.50 0.13 0.13 1.57 2.07 -1.14 0.80 114.93 118.00 3ex7 h MET 57 Ca -0.04 -0.01 -0.01 0.00 -2.07 0.00 0.00 59.70 57.58 3ex7 h MET 57 Cb 0.37 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.07 3ex7 h MET 57 CO 0.06 0.09 -0.06 0.93 1.07 0.00 0.00 176.91 178.99 3ex7 h GLU 58 N 0.14 -0.17 -0.56 1.72 5.08 -0.37 -1.19 114.58 119.22 3ex7 h GLU 58 Ca 0.34 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.73 3ex7 h GLU 58 Cb 0.55 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 3ex7 h GLU 58 CO -0.53 -0.11 0.37 1.49 -1.00 0.00 0.00 179.01 179.23 3ex7 h GLU 59 N -0.18 0.65 -0.45 2.33 4.57 -0.34 -0.04 114.58 121.12 3ex7 h GLU 59 Ca -0.02 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.07 3ex7 h GLU 59 Cb 0.14 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 3ex7 h GLU 59 CO 0.03 0.43 0.08 1.25 -1.18 0.00 0.00 179.01 179.62 3ex7 h LEU 60 N 0.67 0.70 -0.66 1.64 5.85 -0.47 -1.63 115.31 121.41 3ex7 h LEU 60 Ca 0.22 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3ex7 h LEU 60 Cb 0.06 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3ex7 h LEU 60 CO -0.06 0.78 0.41 0.50 -0.34 0.00 0.00 178.44 179.73 3ex7 h LYS 61 N 0.60 0.77 -0.71 1.25 3.64 0.17 -1.28 116.57 121.00 3ex7 h LYS 61 Ca 0.14 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3ex7 h LYS 61 Cb 0.37 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 3ex7 h LYS 61 CO 0.01 0.51 0.35 -0.09 -2.27 0.00 0.00 179.45 177.96 3ex7 h ARG 62 N 0.80 1.01 -0.46 1.90 2.43 -0.93 0.41 114.38 119.53 3ex7 h ARG 62 Ca 0.27 -0.13 -0.10 0.00 -0.81 0.00 0.00 59.98 59.21 3ex7 h ARG 62 Cb 0.04 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3ex7 h ARG 62 CO -0.11 0.78 -0.10 0.82 -1.51 0.00 0.00 179.97 179.85 3ex7 h ILE 63 N 1.01 1.26 -0.07 1.20 2.04 -0.52 0.24 117.51 122.67 3ex7 h ILE 63 Ca 0.25 -1.17 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 3ex7 h ILE 63 Cb 0.10 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3ex7 h ILE 63 CO -0.03 0.41 -0.17 0.40 0.00 0.00 0.00 178.15 178.76 3ex7 h ILE 64 N 0.75 1.42 -0.60 -0.67 2.04 -0.62 -2.73 117.51 117.10 3ex7 h ILE 64 Ca 0.13 -1.51 0.07 0.00 1.00 0.00 0.00 64.86 64.56 3ex7 h ILE 64 Cb 0.59 2.24 -0.06 0.00 -0.74 0.00 0.00 36.82 38.85 3ex7 h ILE 64 CO 0.04 0.42 0.27 0.44 0.00 0.00 0.00 178.15 179.32 3ex7 h ASP 65 N -0.26 0.35 -0.05 1.72 3.45 -0.07 -2.49 116.42 119.07 3ex7 h ASP 65 Ca -0.00 0.05 -0.05 0.00 0.43 0.00 0.00 57.03 57.47 3ex7 h ASP 65 Cb 0.77 -0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.52 3ex7 h ASP 65 CO 0.04 0.22 -0.08 0.44 -1.57 0.00 0.00 179.24 178.28 3ex7 h ASP 66 N 0.50 0.29 1.06 6.45 3.32 -0.52 -2.51 116.42 125.01 3ex7 h ASP 66 Ca 0.29 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 57.12 3ex7 h ASP 66 Cb 0.28 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3ex7 h ASP 66 CO -0.24 0.41 -0.78 0.77 -1.72 0.00 0.00 179.24 177.68 3ex7 h SER 67 N 0.29 0.00 -2.49 6.45 4.64 -1.14 -3.47 113.55 117.84 3ex7 h SER 67 Ca 0.06 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.09 3ex7 h SER 67 Cb 0.34 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3ex7 h SER 67 CO 0.02 0.78 -0.39 -0.62 -0.87 0.00 0.00 176.83 175.75 3ex7 n GLU 68 N -3.39 -1.95 0.27 4.77 1.02 -0.95 -4.87 120.64 115.54 3ex7 n GLU 68 Ca 0.00 0.68 0.11 0.00 -0.02 0.00 0.00 57.16 57.94 3ex7 n GLU 68 Cb 0.82 -4.99 0.74 0.00 -0.02 0.00 0.00 31.44 27.99 3ex7 n GLU 68 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3ex7 h ILE 69 N -0.34 0.74 0.00 -3.67 6.09 -1.86 -2.66 117.51 115.81 3ex7 h ILE 69 Ca -0.36 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 62.87 3ex7 h ILE 69 Cb 1.26 1.16 0.00 0.00 0.47 0.00 0.00 36.82 39.70 3ex7 h ILE 69 CO 0.41 0.07 0.00 0.35 -3.07 0.00 0.00 178.15 175.90 3ex7 n THR 70 N -4.01 0.99 1.50 2.19 -2.24 -1.26 -1.09 114.28 110.36 3ex7 n THR 70 Ca -0.03 0.29 0.14 0.00 -2.27 0.00 0.00 64.05 62.19 3ex7 n THR 70 Cb 0.16 -1.16 0.61 0.00 -2.10 0.00 0.00 70.33 67.84 3ex7 n THR 70 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ex7 n LYS 71 N -1.88 0.99 -3.10 -0.78 5.02 -1.00 -4.92 118.16 112.48 3ex7 n LYS 71 Ca 0.02 -0.40 -0.18 0.00 -2.02 0.00 0.00 58.31 55.73 3ex7 n LYS 71 Cb 0.18 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.70 3ex7 n LYS 71 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3ex7 s GLU 72 N -2.29 2.90 -0.07 1.97 0.41 -0.25 -5.11 118.70 116.25 3ex7 s GLU 72 Ca 0.33 -1.08 -0.21 0.00 -0.41 0.00 0.00 54.97 53.60 3ex7 s GLU 72 Cb 0.20 -2.74 0.05 0.00 -1.78 0.00 0.00 34.13 29.86 3ex7 s GLU 72 CO 0.43 -0.22 0.48 0.34 -0.49 0.00 0.00 175.26 175.81 3ex7 s ASP 73 N -4.30 -0.43 0.00 -0.19 2.15 -1.26 -5.05 116.67 107.58 3ex7 s ASP 73 Ca 0.52 0.54 0.14 0.00 0.43 0.00 0.00 52.55 54.18 3ex7 s ASP 73 Cb -0.10 0.58 0.41 0.00 -0.30 0.00 0.00 42.92 43.51 3ex7 s ASP 73 CO 0.33 -0.43 1.33 -0.90 -0.17 0.00 0.00 175.17 175.33 3ex7 n ASP 74 N 1.56 2.09 -0.33 -0.34 5.68 -1.26 -4.49 116.55 119.46 3ex7 n ASP 74 Ca -0.19 -1.96 0.12 0.00 -0.50 0.00 0.00 54.79 52.26 3ex7 n ASP 74 Cb 0.56 -0.24 0.29 0.00 -1.14 0.00 0.00 41.12 40.60 3ex7 n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ex7 h ALA 75 N 3.79 1.52 -0.01 2.12 0.00 -1.97 -0.37 119.26 124.33 3ex7 h ALA 75 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ex7 h ALA 75 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3ex7 h ALA 75 CO 0.00 -0.13 -0.35 1.28 0.00 0.00 0.00 179.25 180.05 3ex7 n LEU 76 N -4.85 1.71 -4.79 0.00 4.32 -1.26 -4.97 117.00 107.15 3ex7 n LEU 76 Ca 0.22 -0.59 -0.34 0.00 -0.02 0.00 0.00 56.01 55.27 3ex7 n LEU 76 Cb 0.56 -0.04 -0.02 0.00 -1.62 0.00 0.00 43.42 42.30 3ex7 n LEU 76 CO 0.19 0.31 0.74 0.26 -1.22 0.00 0.00 177.39 177.68 3ex7 s TRP 77 N -2.44 2.86 0.24 -1.77 0.52 -0.15 -4.47 118.94 113.72 3ex7 s TRP 77 Ca 0.22 1.56 -0.31 0.00 0.02 0.00 0.00 56.10 57.60 3ex7 s TRP 77 Cb 0.19 -3.16 -0.14 0.00 -1.15 0.00 0.00 33.47 29.20 3ex7 s TRP 77 CO 0.53 -1.15 1.22 -2.30 0.02 0.00 0.00 176.95 175.26 3ex7 n PRO 78 N -1.10 1.60 -1.64 4.98 -0.02 -1.26 -4.93 135.00 132.62 3ex7 n PRO 78 Ca 0.10 0.57 -0.31 0.00 -2.02 0.00 0.00 63.50 61.84 3ex7 n PRO 78 Cb 0.52 -2.09 0.05 0.00 -0.02 0.00 0.00 33.50 31.96 3ex7 n PRO 78 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ex7 s PRO 79 N -0.85 2.81 0.75 0.52 0.04 -1.26 -2.20 135.00 134.81 3ex7 s PRO 79 Ca 0.66 0.79 -0.15 0.00 0.04 0.00 0.00 61.00 62.34 3ex7 s PRO 79 Cb -0.72 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 31.88 3ex7 s PRO 79 CO 0.54 -1.15 1.17 -2.30 0.04 0.00 0.00 177.00 175.31 3ex7 n PRO 80 N -3.14 0.48 -1.43 0.56 -0.02 -1.26 -3.50 135.00 126.69 3ex7 n PRO 80 Ca 0.07 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3ex7 n PRO 80 Cb 0.55 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3ex7 n PRO 80 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3ex7 n ASP 81 N -2.60 0.00 -0.11 2.55 5.68 -1.04 -4.88 116.55 116.15 3ex7 n ASP 81 Ca 0.14 -0.72 0.02 0.00 -0.50 0.00 0.00 54.79 53.72 3ex7 n ASP 81 Cb 0.50 0.00 0.32 0.00 -1.14 0.00 0.00 41.12 40.79 3ex7 n ASP 81 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3ex7 h ARG 82 N 0.00 0.77 -0.16 0.11 3.08 -1.99 -1.73 114.38 114.47 3ex7 h ARG 82 Ca 0.00 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 3ex7 h ARG 82 Cb 0.00 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 3ex7 h ARG 82 CO 0.00 0.54 -0.03 0.28 -1.07 0.00 0.00 179.97 179.68 3ex7 h VAL 83 N 0.79 1.12 0.00 2.04 2.07 -1.96 -3.43 116.25 116.88 3ex7 h VAL 83 Ca 0.21 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3ex7 h VAL 83 Cb -0.05 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3ex7 h VAL 83 CO -0.04 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.32 3ex7 n GLY 84 N -1.13 0.35 3.11 2.17 0.00 -0.65 -4.71 105.19 104.33 3ex7 n GLY 84 Ca -0.01 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.27 3ex7 n GLY 84 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ex7 s ARG 85 N -2.00 0.31 0.05 1.61 3.52 -0.31 -2.50 118.95 119.64 3ex7 s ARG 85 Ca 0.00 0.19 0.08 0.00 -0.13 0.00 0.00 55.73 55.86 3ex7 s ARG 85 Cb 0.00 0.15 -0.03 0.00 -1.56 0.00 0.00 34.95 33.50 3ex7 s ARG 85 CO 0.00 -0.05 -0.20 -0.65 -0.81 0.00 0.00 175.30 173.59 3ex7 s GLN 86 N -0.17 1.97 -0.01 5.12 -0.21 -0.68 -1.42 119.66 124.26 3ex7 s GLN 86 Ca -0.03 -1.04 0.01 0.00 0.02 0.00 0.00 55.36 54.33 3ex7 s GLN 86 Cb -0.03 -2.13 -0.00 0.00 1.00 0.00 0.00 33.01 31.85 3ex7 s GLN 86 CO 0.01 0.53 -0.04 -1.21 -2.12 0.00 0.00 175.29 172.45 3ex7 s GLU 87 N -1.48 0.34 -0.05 2.91 2.02 0.51 -2.68 118.70 120.28 3ex7 s GLU 87 Ca 0.14 -0.13 -0.01 0.00 0.02 0.00 0.00 54.97 54.99 3ex7 s GLU 87 Cb -0.10 -0.34 0.03 0.00 0.10 0.00 0.00 34.13 33.81 3ex7 s GLU 87 CO 0.05 0.07 0.03 -1.17 0.02 0.00 0.00 175.26 174.26 3ex7 s LEU 88 N -0.00 0.49 -0.08 1.80 2.96 -0.83 -0.47 118.68 122.55 3ex7 s LEU 88 Ca 0.01 0.02 0.04 0.00 -0.22 0.00 0.00 54.13 53.98 3ex7 s LEU 88 Cb -0.03 -0.23 -0.00 0.00 0.50 0.00 0.00 46.19 46.43 3ex7 s LEU 88 CO -0.00 -0.20 -0.22 -0.70 -1.32 0.00 0.00 176.35 173.90 3ex7 s GLU 89 N 1.86 2.63 -0.03 1.98 2.12 0.35 -0.52 118.70 127.08 3ex7 s GLU 89 Ca 0.02 -0.80 0.01 0.00 0.36 0.00 0.00 54.97 54.55 3ex7 s GLU 89 Cb -0.12 -2.08 0.03 0.00 0.26 0.00 0.00 34.13 32.21 3ex7 s GLU 89 CO -0.03 0.22 -0.01 0.42 -0.54 0.00 0.00 175.26 175.32 3ex7 s ILE 90 N 0.21 0.28 -0.19 -3.70 1.01 0.39 -1.00 121.20 118.20 3ex7 s ILE 90 Ca -0.13 0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.53 3ex7 s ILE 90 Cb -0.16 -0.36 -0.01 0.00 0.01 0.00 0.00 42.46 41.95 3ex7 s ILE 90 CO 0.06 0.17 -0.09 -0.69 0.00 0.00 0.00 174.94 174.39 3ex7 s VAL 91 N 1.00 3.11 -0.66 2.92 1.01 0.72 -1.13 120.40 127.37 3ex7 s VAL 91 Ca -0.10 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.30 3ex7 s VAL 91 Cb -0.14 -2.38 0.16 0.00 0.00 0.00 0.00 36.38 34.03 3ex7 s VAL 91 CO -0.01 0.47 0.46 -0.63 0.00 0.00 0.00 175.10 175.39 3ex7 s ILE 92 N 1.16 3.28 0.00 2.22 -1.09 0.02 -1.26 121.20 125.52 3ex7 s ILE 92 Ca 0.01 -3.58 0.00 0.00 -2.23 0.00 0.00 60.65 54.85 3ex7 s ILE 92 Cb -0.14 -3.15 0.00 0.00 -1.58 0.00 0.00 42.46 37.58 3ex7 s ILE 92 CO -0.02 -0.93 0.00 0.61 -1.23 0.00 0.00 174.94 173.37 3ex7 n GLY 93 N 2.76 1.02 0.10 6.18 0.00 0.14 -2.60 105.19 112.80 3ex7 n GLY 93 Ca 0.13 0.38 -0.17 0.00 0.00 0.00 0.00 46.02 46.36 3ex7 n GLY 93 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ex7 n ASP 94 N 5.82 1.87 -4.66 1.61 8.00 -1.26 -4.72 116.55 123.22 3ex7 n ASP 94 Ca 0.00 0.46 -0.45 0.00 0.71 0.00 0.00 54.79 55.50 3ex7 n ASP 94 Cb 0.00 -0.88 -0.04 0.00 -0.02 0.00 0.00 41.12 40.18 3ex7 n ASP 94 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3ex7 n GLU 95 N -4.45 2.42 -4.09 -1.24 2.13 -1.07 -4.97 120.64 109.36 3ex7 n GLU 95 Ca -0.27 0.86 -0.35 0.00 0.66 0.00 0.00 57.16 58.07 3ex7 n GLU 95 Cb 0.58 -2.85 -0.13 0.00 0.27 0.00 0.00 31.44 29.30 3ex7 n GLU 95 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 3ex7 s HIS 96 N 4.79 2.97 0.21 4.31 5.65 -1.26 -0.80 115.29 131.16 3ex7 s HIS 96 Ca 0.93 -0.69 0.06 0.00 0.25 0.00 0.00 55.06 55.61 3ex7 s HIS 96 Cb -0.55 -2.06 -0.05 0.00 -1.18 0.00 0.00 32.58 28.73 3ex7 s HIS 96 CO 0.46 -0.37 -0.10 0.96 -0.65 0.00 0.00 174.74 175.04 3ex7 s ILE 97 N 1.12 1.49 -0.24 0.89 -5.25 -0.28 -5.01 121.20 113.92 3ex7 s ILE 97 Ca 0.02 -2.14 -0.21 0.00 -0.99 0.00 0.00 60.65 57.33 3ex7 s ILE 97 Cb -0.15 -2.12 0.06 0.00 2.95 0.00 0.00 42.46 43.21 3ex7 s ILE 97 CO 0.00 -0.53 0.63 -0.55 -1.79 0.00 0.00 174.94 172.70 3ex7 s SER 98 N -3.31 -0.68 -0.02 4.36 0.15 -1.26 -0.46 113.70 112.49 3ex7 s SER 98 Ca 0.23 1.28 0.05 0.00 0.70 0.00 0.00 55.95 58.22 3ex7 s SER 98 Cb 0.02 1.28 -0.01 0.00 -1.71 0.00 0.00 66.02 65.60 3ex7 s SER 98 CO 0.07 -0.22 -0.18 -0.36 1.20 0.00 0.00 173.24 173.75 3ex7 s PHE 99 N 0.51 1.62 -0.02 3.44 0.40 0.32 -4.82 117.98 119.43 3ex7 s PHE 99 Ca -0.01 -0.33 0.03 0.00 -0.60 0.00 0.00 56.93 56.02 3ex7 s PHE 99 Cb -0.05 -1.05 -0.00 0.00 0.51 0.00 0.00 43.02 42.43 3ex7 s PHE 99 CO -0.02 -0.05 -0.11 0.99 0.70 0.00 0.00 175.22 176.74 3ex7 s THR 100 N -0.35 0.91 0.26 0.64 2.01 -1.26 -1.96 115.64 115.89 3ex7 s THR 100 Ca 0.05 -0.45 -0.20 0.00 0.31 0.00 0.00 61.69 61.41 3ex7 s THR 100 Cb -0.08 -0.80 0.07 0.00 0.01 0.00 0.00 72.50 71.71 3ex7 s THR 100 CO -0.00 0.27 0.94 0.28 -0.69 0.00 0.00 174.62 175.42 3ex7 s THR 101 N 0.06 0.00 1.00 -0.82 -1.32 -1.09 -4.85 115.64 108.61 3ex7 s THR 101 Ca -0.01 -0.74 -0.17 0.00 -1.21 0.00 0.00 61.69 59.55 3ex7 s THR 101 Cb -0.08 -2.84 0.22 0.00 -1.51 0.00 0.00 72.50 68.29 3ex7 s THR 101 CO 0.00 0.00 1.32 -0.94 -2.21 0.00 0.00 174.62 172.79 3ex7 s SER 102 N -3.26 2.81 0.60 8.08 1.04 -0.93 -1.68 113.70 120.36 3ex7 s SER 102 Ca 0.19 0.25 -0.18 0.00 0.48 0.00 0.00 55.95 56.69 3ex7 s SER 102 Cb -0.04 -0.27 -0.03 0.00 0.10 0.00 0.00 66.02 65.79 3ex7 s SER 102 CO 0.07 -2.92 1.15 -0.54 0.98 0.00 0.00 173.24 171.99 3ex7 s LYS 103 N -5.88 2.99 -0.33 4.02 1.02 -1.24 -4.13 119.74 116.19 3ex7 s LYS 103 Ca 0.75 1.63 -0.08 0.00 0.02 0.00 0.00 55.97 58.29 3ex7 s LYS 103 Cb -0.04 -1.95 0.02 0.00 -0.52 0.00 0.00 37.83 35.35 3ex7 s LYS 103 CO 0.54 -1.14 0.13 0.42 -0.92 0.00 0.00 175.35 174.37 3ex7 s ILE 104 N -1.88 4.10 0.04 2.17 1.01 -1.26 -4.98 121.20 120.40 3ex7 s ILE 104 Ca 0.73 -0.89 -0.31 0.00 0.00 0.00 0.00 60.65 60.18 3ex7 s ILE 104 Cb -0.25 -3.24 -0.18 0.00 0.01 0.00 0.00 42.46 38.80 3ex7 s ILE 104 CO 0.34 -0.11 1.43 1.23 0.00 0.00 0.00 174.94 177.83 3ex7 h GLY 105 N 8.29 -0.91 -1.25 6.18 0.00 -1.99 -3.48 103.07 109.90 3ex7 h GLY 105 Ca -0.27 0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 3ex7 h GLY 105 CO 0.62 -0.33 0.21 -1.35 0.00 0.00 0.00 176.54 175.69 3ex7 s SER 106 N -4.50 0.10 0.54 0.19 1.04 -1.26 -5.03 113.70 104.78 3ex7 s SER 106 Ca -0.16 -1.15 0.20 0.00 0.48 0.00 0.00 55.95 55.31 3ex7 s SER 106 Cb 0.03 0.82 1.42 0.00 0.10 0.00 0.00 66.02 68.39 3ex7 s SER 106 CO 0.56 -1.62 2.18 -0.07 0.98 0.00 0.00 173.24 175.27 3ex7 h LEU 107 N 2.02 0.00 -0.35 2.42 3.38 -1.98 -0.51 115.31 120.28 3ex7 h LEU 107 Ca -0.31 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.73 3ex7 h LEU 107 Cb 1.25 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.93 3ex7 h LEU 107 CO 0.39 0.00 -0.09 0.40 0.09 0.00 0.00 178.44 179.23 3ex7 h ILE 108 N 0.00 0.65 -0.24 1.22 1.08 -1.98 0.12 117.51 118.35 3ex7 h ILE 108 Ca 0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 3ex7 h ILE 108 Cb 0.01 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 34.40 3ex7 h ILE 108 CO -0.00 0.00 0.08 0.44 -0.69 0.00 0.00 178.15 177.98 3ex7 h ASP 109 N -0.00 0.35 -0.15 1.72 3.45 -1.52 -2.00 116.42 118.26 3ex7 h ASP 109 Ca 0.17 -0.19 0.03 0.00 0.43 0.00 0.00 57.03 57.47 3ex7 h ASP 109 Cb 0.26 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 38.90 3ex7 h ASP 109 CO -0.36 0.44 -0.07 0.58 -1.57 0.00 0.00 179.24 178.27 3ex7 h VAL 110 N 0.23 0.78 0.00 -1.35 2.07 -1.10 -2.03 116.25 114.85 3ex7 h VAL 110 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 3ex7 h VAL 110 Cb 0.21 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3ex7 h VAL 110 CO -0.00 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.37 3ex7 h ASN 111 N -0.05 0.00 -0.02 0.57 2.35 -0.63 -1.35 115.58 116.45 3ex7 h ASN 111 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3ex7 h ASN 111 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3ex7 h ASN 111 CO -0.18 0.00 -0.00 0.00 -1.65 0.00 0.00 177.43 175.59 3ex7 n GLN 112 N -2.44 2.07 -1.89 0.81 6.02 -0.76 -4.85 117.38 116.33 3ex7 n GLN 112 Ca 0.02 -1.55 -0.29 0.00 -0.01 0.00 0.00 57.00 55.16 3ex7 n GLN 112 Cb 0.26 -1.47 0.15 0.00 1.02 0.00 0.00 30.24 30.19 3ex7 n GLN 112 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3ex7 s SER 113 N -2.00 3.63 0.39 1.08 1.04 -0.51 -5.03 113.70 112.31 3ex7 s SER 113 Ca 0.32 0.50 -0.19 0.00 0.48 0.00 0.00 55.95 57.05 3ex7 s SER 113 Cb 0.20 -0.73 -0.10 0.00 0.10 0.00 0.00 66.02 65.49 3ex7 s SER 113 CO 0.31 -2.43 0.88 -0.54 0.98 0.00 0.00 173.24 172.44 3ex7 s LYS 114 N -5.74 4.16 -1.14 4.02 1.02 -1.26 -4.16 119.74 116.63 3ex7 s LYS 114 Ca 0.69 0.97 -0.06 0.00 0.02 0.00 0.00 55.97 57.59 3ex7 s LYS 114 Cb -0.07 -2.27 -0.03 0.00 -0.52 0.00 0.00 37.83 34.93 3ex7 s LYS 114 CO 0.51 0.04 0.88 -3.47 -0.92 0.00 0.00 175.35 172.40 3ex7 n ASP 115 N -0.53 -4.49 0.22 2.83 -0.08 -1.26 -4.62 116.55 108.62 3ex7 n ASP 115 Ca 0.06 -0.75 0.06 0.00 -1.51 0.00 0.00 54.79 52.64 3ex7 n ASP 115 Cb 0.54 -4.73 0.51 0.00 2.34 0.00 0.00 41.12 39.78 3ex7 n ASP 115 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3ex7 h PRO 116 N -1.52 0.00 -0.17 -0.67 0.11 -1.74 -2.30 132.00 125.71 3ex7 h PRO 116 Ca -0.61 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.37 3ex7 h PRO 116 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3ex7 h PRO 116 CO 0.48 0.19 -0.40 0.93 -0.21 0.00 0.00 178.00 178.98 3ex7 h GLU 117 N 0.00 0.57 0.07 1.05 5.08 -1.92 -2.25 114.58 117.17 3ex7 h GLU 117 Ca -0.00 -0.39 -0.27 0.00 -1.00 0.00 0.00 59.36 57.70 3ex7 h GLU 117 Cb 0.34 0.06 0.02 0.00 0.50 0.00 0.00 28.75 29.66 3ex7 h GLU 117 CO 0.02 1.01 -1.12 0.78 -1.00 0.00 0.00 179.01 178.70 3ex7 h GLY 118 N 0.22 0.57 1.03 -3.84 0.00 -1.95 -2.74 103.07 96.37 3ex7 h GLY 118 Ca -0.00 -1.13 -0.06 0.00 0.00 0.00 0.00 47.33 46.14 3ex7 h GLY 118 CO 0.09 1.00 0.16 -2.00 0.00 0.00 0.00 176.54 175.79 3ex7 h LEU 119 N 0.24 0.96 -0.40 3.11 5.85 -1.50 -1.68 115.31 121.90 3ex7 h LEU 119 Ca -0.14 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.43 3ex7 h LEU 119 Cb 1.79 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 42.49 3ex7 h LEU 119 CO 0.20 0.94 -0.06 0.03 -0.34 0.00 0.00 178.44 179.21 3ex7 h ARG 120 N 0.94 0.03 -0.80 1.25 3.08 -1.44 0.29 114.38 117.73 3ex7 h ARG 120 Ca 0.20 -0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.38 3ex7 h ARG 120 Cb 0.35 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.30 3ex7 h ARG 120 CO 0.00 0.02 0.39 0.28 -1.07 0.00 0.00 179.97 179.59 3ex7 h VAL 121 N 0.04 0.74 -0.07 2.04 2.07 -1.16 0.13 116.25 120.03 3ex7 h VAL 121 Ca 0.20 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3ex7 h VAL 121 Cb 0.29 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 3ex7 h VAL 121 CO -0.38 0.11 -0.04 0.15 0.02 0.00 0.00 177.57 177.42 3ex7 h PHE 122 N 0.58 0.17 -0.67 1.57 3.57 -0.52 -0.17 116.94 121.46 3ex7 h PHE 122 Ca 0.43 -0.05 0.14 0.00 3.53 0.00 0.00 57.97 62.03 3ex7 h PHE 122 Cb 0.59 -0.04 -0.12 0.00 2.79 0.00 0.00 35.95 39.17 3ex7 h PHE 122 CO -0.11 0.55 -0.02 -0.92 -2.23 0.00 0.00 178.31 175.57 3ex7 h TYR 123 N -0.25 -0.09 0.08 0.41 3.20 -0.14 0.31 116.97 120.50 3ex7 h TYR 123 Ca 0.01 0.05 -0.27 0.00 3.14 0.00 0.00 58.73 61.66 3ex7 h TYR 123 Cb 0.51 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 3ex7 h TYR 123 CO 0.08 -0.21 -1.33 1.88 -1.64 0.00 0.00 178.16 176.93 3ex7 h TYR 124 N 0.10 0.33 -0.29 -3.82 -1.99 -0.88 -2.75 116.97 107.66 3ex7 h TYR 124 Ca 0.35 -0.24 0.03 0.00 2.00 0.00 0.00 58.73 60.87 3ex7 h TYR 124 Cb 0.59 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 39.27 3ex7 h TYR 124 CO -0.41 1.23 0.12 1.25 -0.00 0.00 0.00 178.16 180.35 3ex7 h LEU 125 N 0.05 0.15 -0.13 3.88 5.85 -0.77 -0.64 115.31 123.70 3ex7 h LEU 125 Ca -0.16 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.60 3ex7 h LEU 125 Cb 1.95 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.96 3ex7 h LEU 125 CO 0.16 0.12 0.01 0.58 -0.34 0.00 0.00 178.44 178.97 3ex7 h VAL 126 N 0.26 0.93 -0.45 1.05 2.07 -0.95 -0.26 116.25 118.89 3ex7 h VAL 126 Ca 0.12 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.71 3ex7 h VAL 126 Cb 0.07 0.86 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 3ex7 h VAL 126 CO -0.11 0.01 -0.07 1.56 0.02 0.00 0.00 177.57 178.98 3ex7 h GLN 127 N 0.06 0.04 -0.77 1.57 4.20 -1.32 -1.45 115.11 117.43 3ex7 h GLN 127 Ca 0.06 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.79 3ex7 h GLN 127 Cb 0.06 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.79 3ex7 h GLN 127 CO -0.09 0.03 0.49 -0.44 -0.67 0.00 0.00 178.83 178.15 3ex7 h ASP 128 N 0.04 0.82 -0.25 1.46 3.32 -0.58 -0.75 116.42 120.48 3ex7 h ASP 128 Ca 0.22 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.21 3ex7 h ASP 128 Cb 0.33 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3ex7 h ASP 128 CO -0.43 0.56 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.51 3ex7 h LEU 129 N 0.96 0.50 -0.95 1.55 3.38 -0.71 -2.19 115.31 117.86 3ex7 h LEU 129 Ca 0.31 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3ex7 h LEU 129 Cb 0.01 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 3ex7 h LEU 129 CO -0.11 0.76 0.57 0.11 0.09 0.00 0.00 178.44 179.87 3ex7 h LYS 130 N 0.24 1.29 -0.45 1.13 1.57 -1.06 0.18 116.57 119.47 3ex7 h LYS 130 Ca 0.06 -0.12 0.08 0.00 -1.87 0.00 0.00 60.65 58.81 3ex7 h LYS 130 Cb 0.55 -0.27 -0.07 0.00 0.08 0.00 0.00 32.23 32.52 3ex7 h LYS 130 CO 0.03 0.90 0.04 0.00 -0.57 0.00 0.00 179.45 179.85 3ex7 h LEU 132 N 0.15 0.20 -0.49 0.00 5.85 -0.54 -2.50 115.31 117.99 3ex7 h LEU 132 Ca 0.23 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 3ex7 h LEU 132 Cb 0.32 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3ex7 h LEU 132 CO -0.35 0.48 0.06 0.58 -0.34 0.00 0.00 178.44 178.87 3ex7 h VAL 133 N -0.09 1.25 -0.22 1.05 2.07 -0.21 0.08 116.25 120.18 3ex7 h VAL 133 Ca 0.03 -0.97 -0.07 0.00 0.82 0.00 0.00 66.70 66.52 3ex7 h VAL 133 Cb 0.38 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3ex7 h VAL 133 CO 0.01 0.34 -0.16 -0.26 0.02 0.00 0.00 177.57 177.52 3ex7 h PHE 134 N 0.69 0.39 0.11 1.57 0.04 -0.30 0.19 116.94 119.64 3ex7 h PHE 134 Ca 0.15 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 3ex7 h PHE 134 Cb 0.43 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.47 3ex7 h PHE 134 CO 0.03 0.52 -0.05 0.77 -0.60 0.00 0.00 178.31 178.98 3ex7 h SER 135 N 0.34 -0.12 0.68 2.17 0.02 -1.03 0.27 113.55 115.89 3ex7 h SER 135 Ca 0.06 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 60.69 3ex7 h SER 135 Cb 0.48 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 3ex7 h SER 135 CO 0.03 0.24 -0.40 -0.07 -1.14 0.00 0.00 176.83 175.49 3ex7 h LEU 136 N -0.50 -1.00 -0.59 5.07 3.38 -0.73 0.76 115.31 121.71 3ex7 h LEU 136 Ca -0.01 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3ex7 h LEU 136 Cb 0.41 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3ex7 h LEU 136 CO 0.02 -0.63 0.03 0.40 0.09 0.00 0.00 178.44 178.35 3ex7 h ILE 137 N -1.02 1.26 -0.43 1.22 1.08 -0.71 -1.95 117.51 116.97 3ex7 h ILE 137 Ca -0.09 -1.09 -0.00 0.00 -0.39 0.00 0.00 64.86 63.29 3ex7 h ILE 137 Cb 0.81 0.81 -0.02 0.00 -3.07 0.00 0.00 36.82 35.36 3ex7 h ILE 137 CO 0.10 0.40 0.26 1.23 -0.69 0.00 0.00 178.15 179.45 3ex7 h GLY 138 N 0.91 0.62 2.00 5.37 0.00 -0.33 -2.56 103.07 109.09 3ex7 h GLY 138 Ca 0.17 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 3ex7 h GLY 138 CO 0.02 0.25 -0.35 1.41 0.00 0.00 0.00 176.54 177.87 3ex7 h LEU 139 N 0.57 0.00 0.00 3.11 3.38 -0.63 -0.97 115.31 120.77 3ex7 h LEU 139 Ca 0.15 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 3ex7 h LEU 139 Cb -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3ex7 h LEU 139 CO -0.03 0.35 -0.89 -0.74 0.09 0.00 0.00 178.44 177.23 3ex7 h HIS 140 N 0.00 0.00 0.00 1.13 2.76 -1.12 -3.40 115.15 114.51 3ex7 h HIS 140 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3ex7 h HIS 140 Cb 0.87 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.83 3ex7 h HIS 140 CO 0.00 0.40 -0.94 1.19 -1.30 0.00 0.00 177.93 177.28 3ex7 n PHE 141 N -2.99 0.00 -3.12 5.26 3.01 -0.98 -5.04 117.46 113.59 3ex7 n PHE 141 Ca -0.03 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.04 3ex7 n PHE 141 Cb 0.73 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.15 3ex7 n PHE 141 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 3ex7 s LYS 142 N -1.94 4.41 -0.04 -1.08 2.20 -0.38 -5.03 119.74 117.89 3ex7 s LYS 142 Ca 0.00 0.77 -0.30 0.00 -0.36 0.00 0.00 55.97 56.08 3ex7 s LYS 142 Cb 0.00 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 32.85 3ex7 s LYS 142 CO 0.00 0.10 1.11 0.42 -0.36 0.00 0.00 175.35 176.62 3ex7 s ILE 143 N 0.72 4.46 0.09 5.43 1.01 -1.26 -4.86 121.20 126.80 3ex7 s ILE 143 Ca 0.34 1.77 -0.32 0.00 0.00 0.00 0.00 60.65 62.44 3ex7 s ILE 143 Cb -0.17 -4.13 -0.11 0.00 0.01 0.00 0.00 42.46 38.06 3ex7 s ILE 143 CO 0.16 0.05 1.85 0.29 0.00 0.00 0.00 174.94 177.29 3ex7 n LYS 144 N 4.70 2.70 -0.32 2.79 5.02 -1.26 -4.87 118.16 126.91 3ex7 n LYS 144 Ca 0.09 0.98 -0.00 0.00 -2.02 0.00 0.00 58.31 57.36 3ex7 n LYS 144 Cb 0.48 -2.87 0.13 0.00 -0.02 0.00 0.00 35.03 32.74 3ex7 n LYS 144 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3ex7 h PRO 145 N 8.73 1.03 0.00 1.97 0.11 -2.05 -3.57 132.00 138.22 3ex7 h PRO 145 Ca -0.47 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3ex7 h PRO 145 Cb 1.23 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3ex7 h PRO 145 CO 0.94 0.68 0.00 -0.89 -0.21 0.00 0.00 178.00 178.52