#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxx n THR 3 N -0.14 0.00 -4.42 0.00 -2.24 -1.26 -4.98 114.28 101.24 1sxx n THR 3 Ca 0.05 -0.23 -0.34 0.00 -2.27 0.00 0.00 64.05 61.26 1sxx n THR 3 Cb 0.52 1.22 -0.12 0.00 -2.10 0.00 0.00 70.33 69.86 1sxx n THR 3 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sxx s LYS 4 N -0.27 3.54 -0.86 -0.78 -0.14 -1.26 -5.03 119.74 114.94 1sxx s LYS 4 Ca 0.00 -0.51 -0.17 0.00 -1.36 0.00 0.00 55.97 53.93 1sxx s LYS 4 Cb 0.00 -2.88 0.16 0.00 -1.68 0.00 0.00 37.83 33.44 1sxx s LYS 4 CO 0.00 0.32 0.95 1.21 -0.76 0.00 0.00 175.35 177.07 1sxx s ASN 5 N 0.15 6.63 0.27 2.83 3.84 -1.26 -5.04 114.94 122.37 1sxx s ASN 5 Ca -0.01 -2.22 -0.29 0.00 0.21 0.00 0.00 52.86 50.55 1sxx s ASN 5 Cb -0.14 -2.32 -0.10 0.00 -0.55 0.00 0.00 41.25 38.15 1sxx s ASN 5 CO 0.03 -0.89 1.30 0.00 -2.79 0.00 0.00 177.10 174.75 1sxx s ALA 6 N 1.76 3.52 -0.15 1.71 0.00 -1.26 -4.99 121.76 122.34 1sxx s ALA 6 Ca 0.25 1.19 -0.17 0.00 0.00 0.00 0.00 51.96 53.23 1sxx s ALA 6 Cb -0.09 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1sxx s ALA 6 CO -0.08 -0.57 0.42 0.42 0.00 0.00 0.00 175.76 175.95 1sxx s ILE 7 N -0.59 5.21 0.60 0.00 -1.09 -1.26 -5.01 121.20 119.05 1sxx s ILE 7 Ca 0.52 0.80 -0.16 0.00 -2.23 0.00 0.00 60.65 59.58 1sxx s ILE 7 Cb -0.38 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 36.71 1sxx s ILE 7 CO 0.46 0.31 1.08 0.00 -1.23 0.00 0.00 174.94 175.56 1sxx s ALA 8 N 0.83 2.65 0.22 9.38 0.00 -1.26 -4.36 121.76 129.23 1sxx s ALA 8 Ca 0.22 0.53 -0.32 0.00 0.00 0.00 0.00 51.96 52.40 1sxx s ALA 8 Cb -0.14 -3.28 -0.13 0.00 0.00 0.00 0.00 23.12 19.56 1sxx s ALA 8 CO 0.08 -0.92 1.48 0.94 0.00 0.00 0.00 175.76 177.34 1sxx n GLN 9 N -1.95 2.15 -1.88 0.00 7.27 -0.08 -4.91 117.38 117.98 1sxx n GLN 9 Ca 0.10 0.77 -0.42 0.00 0.07 0.00 0.00 57.00 57.52 1sxx n GLN 9 Cb 0.52 -2.47 -0.03 0.00 2.41 0.00 0.00 30.24 30.67 1sxx n GLN 9 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1sxx s THR 10 N 0.22 2.53 -1.04 1.69 2.01 -1.26 -2.32 115.64 117.46 1sxx s THR 10 Ca 0.71 0.34 0.00 0.00 0.31 0.00 0.00 61.69 63.04 1sxx s THR 10 Cb -0.64 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 68.66 1sxx s THR 10 CO 0.46 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.02 1sxx n GLY 11 N 3.85 0.70 3.58 4.40 0.00 -1.26 -4.94 105.19 111.51 1sxx n GLY 11 Ca 0.15 -0.50 -0.51 0.00 0.00 0.00 0.00 46.02 45.16 1sxx n GLY 11 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1sxx n PHE 12 N -3.21 1.35 -3.31 1.61 7.35 -0.98 -4.91 117.46 115.35 1sxx n PHE 12 Ca -0.11 0.68 -0.47 0.00 -0.76 0.00 0.00 57.45 56.79 1sxx n PHE 12 Cb 0.45 -2.29 -0.03 0.00 0.35 0.00 0.00 39.48 37.96 1sxx n PHE 12 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1sxx s ASN 13 N 0.22 6.58 0.17 -2.13 3.84 -1.26 -4.94 114.94 117.42 1sxx s ASN 13 Ca 0.79 -2.39 -0.11 0.00 0.21 0.00 0.00 52.86 51.36 1sxx s ASN 13 Cb -0.92 -2.22 0.06 0.00 -0.55 0.00 0.00 41.25 37.62 1sxx s ASN 13 CO 0.50 -0.68 1.68 0.07 -2.79 0.00 0.00 177.10 175.88 1sxx h LYS 14 N 8.16 0.93 -0.28 0.43 2.10 -2.00 -2.60 116.57 123.31 1sxx h LYS 14 Ca -0.02 -0.22 -0.08 0.00 -2.00 0.00 0.00 60.65 58.33 1sxx h LYS 14 Cb 1.06 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 32.25 1sxx h LYS 14 CO 0.85 0.86 -0.16 -0.44 -2.00 0.00 0.00 179.45 178.56 1sxx h ASP 15 N 0.84 0.47 -0.40 7.07 3.32 -1.92 0.56 116.42 126.36 1sxx h ASP 15 Ca 0.18 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 56.98 1sxx h ASP 15 Cb 0.34 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1sxx h ASP 15 CO 0.00 0.65 -0.25 0.11 -1.72 0.00 0.00 179.24 178.03 1sxx h LYS 16 N 0.44 0.87 -0.14 3.56 1.57 -1.95 -3.15 116.57 117.77 1sxx h LYS 16 Ca 0.08 -0.41 -0.05 0.00 -1.87 0.00 0.00 60.65 58.40 1sxx h LYS 16 Cb 0.53 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1sxx h LYS 16 CO 0.03 1.05 -0.12 -0.92 -0.57 0.00 0.00 179.45 178.92 1sxx h TYR 17 N 0.69 0.39 -1.47 -1.35 3.20 -1.12 -3.30 116.97 114.01 1sxx h TYR 17 Ca 0.08 -0.11 -0.76 0.00 3.14 0.00 0.00 58.73 61.08 1sxx h TYR 17 Cb 0.82 -0.08 -0.17 0.00 1.54 0.00 0.00 36.73 38.84 1sxx h TYR 17 CO 0.06 0.71 2.02 1.19 -1.64 0.00 0.00 178.16 180.51 1sxx n PHE 18 N -4.59 2.65 0.29 -3.82 3.72 0.16 -4.64 117.46 111.23 1sxx n PHE 18 Ca -0.06 -2.75 0.10 0.00 -0.05 0.00 0.00 57.45 54.69 1sxx n PHE 18 Cb 0.34 -1.66 0.19 0.00 -0.94 0.00 0.00 39.48 37.41 1sxx n PHE 18 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1sxx n ASN 19 N 1.29 3.24 0.00 4.37 6.94 -1.12 -3.79 115.26 126.19 1sxx n ASN 19 Ca 0.57 -1.94 0.00 0.00 -0.02 0.00 0.00 54.58 53.20 1sxx n ASN 19 Cb 0.25 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 37.46 1sxx n ASN 19 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1sxx n GLY 20 N 1.30 0.89 3.99 4.83 0.00 0.36 -4.95 105.19 111.61 1sxx n GLY 20 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1sxx n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sxx s ASP 21 N -2.90 4.62 -0.01 1.61 2.15 -1.24 -4.68 116.67 116.21 1sxx s ASP 21 Ca 0.00 -0.32 -0.10 0.00 0.43 0.00 0.00 52.55 52.56 1sxx s ASP 21 Cb 0.00 -0.19 -0.05 0.00 -0.30 0.00 0.00 42.92 42.38 1sxx s ASP 21 CO 0.00 -1.65 0.31 -0.69 -0.17 0.00 0.00 175.17 172.96 1sxx s VAL 22 N -3.02 5.22 -0.08 1.11 1.01 -1.26 -2.63 120.40 120.76 1sxx s VAL 22 Ca 0.64 0.46 0.04 0.00 0.00 0.00 0.00 61.98 63.12 1sxx s VAL 22 Cb -0.06 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 1sxx s VAL 22 CO 0.42 0.49 -0.21 0.26 0.00 0.00 0.00 175.10 176.06 1sxx s TRP 23 N -1.17 2.57 -0.12 5.22 0.52 0.72 -4.63 118.94 122.04 1sxx s TRP 23 Ca 0.24 -0.69 -0.05 0.00 0.02 0.00 0.00 56.10 55.62 1sxx s TRP 23 Cb -0.14 -1.67 -0.04 0.00 -1.15 0.00 0.00 33.47 30.47 1sxx s TRP 23 CO 0.13 -0.20 0.07 0.71 0.02 0.00 0.00 176.95 177.67 1sxx s TYR 24 N -0.05 3.34 -0.22 -1.98 2.02 -0.20 -0.97 117.35 119.29 1sxx s TYR 24 Ca -0.06 0.28 -0.29 0.00 -0.37 0.00 0.00 57.07 56.63 1sxx s TYR 24 Cb -0.15 -1.92 0.00 0.00 -0.40 0.00 0.00 41.96 39.50 1sxx s TYR 24 CO 0.05 0.48 1.10 0.08 -1.57 0.00 0.00 175.55 175.69 1sxx s VAL 25 N -0.60 4.56 -0.11 0.71 1.01 -0.50 -1.22 120.40 124.26 1sxx s VAL 25 Ca 0.11 1.88 0.20 0.00 0.00 0.00 0.00 61.98 64.18 1sxx s VAL 25 Cb -0.12 -4.23 -0.29 0.00 0.00 0.00 0.00 36.38 31.74 1sxx s VAL 25 CO 0.02 -0.18 0.32 0.35 0.00 0.00 0.00 175.10 175.61 1sxx n THR 26 N 5.37 0.65 -3.68 3.92 -2.24 -0.15 -4.66 114.28 113.49 1sxx n THR 26 Ca 0.13 -0.66 -0.15 0.00 -2.27 0.00 0.00 64.05 61.10 1sxx n THR 26 Cb 0.46 -0.23 -0.08 0.00 -2.10 0.00 0.00 70.33 68.38 1sxx n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1sxx s ASP 27 N -4.99 -0.40 0.05 3.42 1.11 -1.20 -0.93 116.67 113.73 1sxx s ASP 27 Ca -0.09 0.48 -0.05 0.00 0.18 0.00 0.00 52.55 53.07 1sxx s ASP 27 Cb 0.10 0.53 -0.02 0.00 1.07 0.00 0.00 42.92 44.61 1sxx s ASP 27 CO 0.87 -0.43 0.08 -0.72 1.18 0.00 0.00 175.17 176.15 1sxx s TYR 28 N -0.93 0.26 -0.09 4.23 1.13 -0.04 -0.87 117.35 121.03 1sxx s TYR 28 Ca -0.10 -0.63 -0.02 0.00 -1.41 0.00 0.00 57.07 54.91 1sxx s TYR 28 Cb -0.03 -0.18 0.04 0.00 -1.10 0.00 0.00 41.96 40.69 1sxx s TYR 28 CO 0.05 -0.39 0.04 -1.17 -2.51 0.00 0.00 175.55 171.57 1sxx s LEU 29 N -2.39 0.48 -0.21 -3.49 2.96 -0.05 -0.32 118.68 115.66 1sxx s LEU 29 Ca -0.01 -0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 53.63 1sxx s LEU 29 Cb 0.01 -0.33 -0.03 0.00 0.50 0.00 0.00 46.19 46.34 1sxx s LEU 29 CO -0.07 -0.25 0.03 -0.62 -1.32 0.00 0.00 176.35 174.13 1sxx s ASP 30 N 2.05 5.07 0.39 3.68 3.68 -1.26 -0.65 116.67 129.63 1sxx s ASP 30 Ca 0.04 -0.15 0.28 0.00 2.13 0.00 0.00 52.55 54.85 1sxx s ASP 30 Cb -0.13 -1.88 1.00 0.00 -1.45 0.00 0.00 42.92 40.46 1sxx s ASP 30 CO -0.05 0.06 1.81 -0.07 0.13 0.00 0.00 175.17 177.05 1sxx h LEU 31 N 7.53 0.00 -9.34 -1.34 3.38 -1.53 -3.43 115.31 110.58 1sxx h LEU 31 Ca -0.36 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.02 1sxx h LEU 31 Cb 1.18 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.84 1sxx h LEU 31 CO 0.62 0.00 -0.27 -0.70 0.09 0.00 0.00 178.44 178.17 1sxx s GLU 32 N -3.40 4.24 0.48 1.13 2.12 -1.26 -4.98 118.70 117.03 1sxx s GLU 32 Ca 0.04 0.20 -0.22 0.00 0.36 0.00 0.00 54.97 55.36 1sxx s GLU 32 Cb 0.09 -3.41 -0.07 0.00 0.26 0.00 0.00 34.13 31.00 1sxx s GLU 32 CO 0.53 0.26 1.16 -1.25 -0.54 0.00 0.00 175.26 175.41 1sxx s PRO 33 N 0.37 3.66 -1.54 4.30 0.04 -1.26 -3.63 135.00 136.95 1sxx s PRO 33 Ca 0.19 1.74 -0.04 0.00 0.04 0.00 0.00 61.00 62.93 1sxx s PRO 33 Cb -0.14 -2.31 0.01 0.00 0.04 0.00 0.00 34.50 32.10 1sxx s PRO 33 CO 0.06 -0.62 0.37 -0.25 0.04 0.00 0.00 177.00 176.60 1sxx n ASP 34 N -0.68 -5.56 -0.11 6.66 8.00 -1.26 -4.88 116.55 118.73 1sxx n ASP 34 Ca 0.08 -0.18 -0.18 0.00 0.71 0.00 0.00 54.79 55.22 1sxx n ASP 34 Cb 0.49 -4.56 -0.12 0.00 -0.02 0.00 0.00 41.12 36.90 1sxx n ASP 34 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1sxx n ASP 35 N -2.29 1.90 -4.16 -2.24 2.03 -1.24 -5.00 116.55 105.55 1sxx n ASP 35 Ca -0.14 -0.08 -0.12 0.00 0.52 0.00 0.00 54.79 54.97 1sxx n ASP 35 Cb 0.63 -0.41 -0.10 0.00 -0.72 0.00 0.00 41.12 40.51 1sxx n ASP 35 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1sxx s VAL 36 N -2.53 0.76 0.95 5.18 -7.23 -1.26 -5.14 120.40 111.13 1sxx s VAL 36 Ca -0.32 -1.76 -0.11 0.00 -1.81 0.00 0.00 61.98 57.98 1sxx s VAL 36 Cb 0.08 -1.48 0.16 0.00 0.56 0.00 0.00 36.38 35.71 1sxx s VAL 36 CO 0.64 -0.73 1.11 -2.84 -0.31 0.00 0.00 175.10 172.97 1sxx s PRO 37 N -3.29 0.78 0.27 4.82 0.02 -1.26 -4.95 135.00 131.40 1sxx s PRO 37 Ca 0.08 1.26 0.24 0.00 0.02 0.00 0.00 61.00 62.60 1sxx s PRO 37 Cb 0.01 -1.72 0.47 0.00 0.02 0.00 0.00 34.50 33.28 1sxx s PRO 37 CO -0.03 -2.70 1.55 0.87 -0.33 0.00 0.00 177.00 176.37 1sxx h LYS 38 N -1.90 0.00 -4.75 5.54 1.57 -2.02 -3.43 116.57 111.58 1sxx h LYS 38 Ca -0.48 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.72 1sxx h LYS 38 Cb 1.28 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 33.25 1sxx h LYS 38 CO 0.46 0.00 -0.84 1.03 -0.57 0.00 0.00 179.45 179.54 1sxx s ARG 39 N -3.18 2.20 0.23 3.15 0.52 -1.26 -4.96 118.95 115.65 1sxx s ARG 39 Ca 0.07 -0.56 -0.20 0.00 -0.52 0.00 0.00 55.73 54.53 1sxx s ARG 39 Cb 0.10 -1.84 0.03 0.00 0.52 0.00 0.00 34.95 33.75 1sxx s ARG 39 CO 0.67 -0.03 0.62 -0.47 0.02 0.00 0.00 175.30 176.11 1sxx s TYR 40 N 0.89 -0.19 -0.03 -0.53 6.14 -1.26 -4.48 117.35 117.90 1sxx s TYR 40 Ca -0.09 -0.19 -0.16 0.00 0.64 0.00 0.00 57.07 57.28 1sxx s TYR 40 Cb -0.15 0.55 0.03 0.00 0.42 0.00 0.00 41.96 42.81 1sxx s TYR 40 CO 0.00 -1.06 0.34 0.00 0.64 0.00 0.00 175.55 175.47 1sxx s ALA 42 N -1.17 -1.48 0.21 0.00 0.00 -1.26 -1.06 121.76 116.99 1sxx s ALA 42 Ca -0.12 1.14 -0.15 0.00 0.00 0.00 0.00 51.96 52.83 1sxx s ALA 42 Cb -0.05 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.94 1sxx s ALA 42 CO 0.04 -0.33 0.48 0.00 0.00 0.00 0.00 175.76 175.95 1sxx s ALA 43 N -0.98 -0.60 0.07 0.00 0.00 -0.75 -1.41 121.76 118.10 1sxx s ALA 43 Ca -0.10 -0.52 -0.12 0.00 0.00 0.00 0.00 51.96 51.22 1sxx s ALA 43 Cb -0.02 0.91 0.01 0.00 0.00 0.00 0.00 23.12 24.02 1sxx s ALA 43 CO 0.07 -0.80 0.26 -0.48 0.00 0.00 0.00 175.76 174.81 1sxx s LEU 44 N -2.93 1.07 0.12 0.00 2.34 -0.14 -1.12 118.68 118.02 1sxx s LEU 44 Ca 0.14 -0.41 0.06 0.00 0.06 0.00 0.00 54.13 53.99 1sxx s LEU 44 Cb -0.00 1.26 -0.04 0.00 -0.56 0.00 0.00 46.19 46.85 1sxx s LEU 44 CO 0.01 -0.69 -0.04 0.00 -1.06 0.00 0.00 176.35 174.58 1sxx s ALA 45 N -3.25 3.15 -0.05 1.48 0.00 0.04 -0.20 121.76 122.93 1sxx s ALA 45 Ca 0.00 -1.24 -0.02 0.00 0.00 0.00 0.00 51.96 50.71 1sxx s ALA 45 Cb 0.02 -1.03 0.04 0.00 0.00 0.00 0.00 23.12 22.15 1sxx s ALA 45 CO -0.08 0.62 0.11 0.00 0.00 0.00 0.00 175.76 176.41 1sxx s ALA 46 N -1.40 -0.12 0.02 0.00 0.00 -1.08 -1.12 121.76 118.06 1sxx s ALA 46 Ca 0.25 0.53 -0.29 0.00 0.00 0.00 0.00 51.96 52.44 1sxx s ALA 46 Cb -0.11 -0.43 0.11 0.00 0.00 0.00 0.00 23.12 22.69 1sxx s ALA 46 CO 0.17 -0.19 1.23 0.20 0.00 0.00 0.00 175.76 177.16 1sxx s GLY 47 N 1.29 -0.36 -0.16 0.00 0.00 -0.69 -0.49 107.32 106.91 1sxx s GLY 47 Ca -0.07 0.54 -0.13 0.00 0.00 0.00 0.00 44.72 45.06 1sxx s GLY 47 CO -0.05 0.45 0.27 -1.59 0.00 0.00 0.00 173.10 172.17 1sxx s THR 48 N -2.54 5.32 -0.17 0.90 2.01 -1.25 -0.77 115.64 119.14 1sxx s THR 48 Ca 0.15 0.49 0.00 0.00 0.31 0.00 0.00 61.69 62.64 1sxx s THR 48 Cb 0.03 -3.60 0.04 0.00 0.01 0.00 0.00 72.50 68.98 1sxx s THR 48 CO -0.02 0.41 -0.10 0.00 -0.69 0.00 0.00 174.62 174.22 1sxx s ALA 49 N 0.37 1.79 -1.45 7.40 0.00 -0.09 -4.76 121.76 125.01 1sxx s ALA 49 Ca 0.15 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 1sxx s ALA 49 Cb -0.13 -1.17 0.02 0.00 0.00 0.00 0.00 23.12 21.84 1sxx s ALA 49 CO 0.03 -0.69 0.40 0.45 0.00 0.00 0.00 175.76 175.95 1sxx n SER 50 N 4.77 -0.43 0.00 0.00 2.88 -1.26 -1.35 113.62 118.23 1sxx n SER 50 Ca -0.14 -1.04 0.00 0.00 -1.33 0.00 0.00 58.87 56.36 1sxx n SER 50 Cb 0.48 -2.85 0.00 0.00 -0.75 0.00 0.00 64.21 61.09 1sxx n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sxx n GLY 51 N -2.01 1.42 3.57 0.46 0.00 -1.26 -5.02 105.19 102.36 1sxx n GLY 51 Ca -0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 1sxx n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxx s LYS 52 N -0.02 3.51 -0.16 1.61 -0.14 -0.46 -5.08 119.74 119.00 1sxx s LYS 52 Ca 0.00 -0.47 -0.29 0.00 -1.36 0.00 0.00 55.97 53.85 1sxx s LYS 52 Cb 0.00 -2.92 -0.01 0.00 -1.68 0.00 0.00 37.83 33.23 1sxx s LYS 52 CO 0.00 0.38 1.12 -1.17 -0.76 0.00 0.00 175.35 174.92 1sxx s LEU 53 N 0.00 4.17 0.08 3.17 2.96 -1.26 -0.92 118.68 126.88 1sxx s LEU 53 Ca 0.02 1.56 0.05 0.00 -0.22 0.00 0.00 54.13 55.54 1sxx s LEU 53 Cb -0.13 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 1sxx s LEU 53 CO 0.02 -0.65 -0.13 -0.54 -1.32 0.00 0.00 176.35 173.74 1sxx s LYS 54 N 2.94 0.81 0.04 1.98 -0.14 0.05 -1.14 119.74 124.27 1sxx s LYS 54 Ca 0.50 -0.98 0.04 0.00 -1.36 0.00 0.00 55.97 54.17 1sxx s LYS 54 Cb -0.19 -0.74 -0.02 0.00 -1.68 0.00 0.00 37.83 35.20 1sxx s LYS 54 CO 0.13 0.16 -0.12 -1.21 -0.76 0.00 0.00 175.35 173.54 1sxx s GLU 55 N -1.92 0.80 -0.08 1.68 2.02 -0.42 -1.70 118.70 119.07 1sxx s GLU 55 Ca -0.01 -0.73 0.05 0.00 0.02 0.00 0.00 54.97 54.30 1sxx s GLU 55 Cb -0.09 -0.76 -0.01 0.00 0.10 0.00 0.00 34.13 33.38 1sxx s GLU 55 CO 0.02 0.18 -0.24 0.00 0.02 0.00 0.00 175.26 175.24 1sxx s ALA 56 N -0.93 2.19 0.13 5.21 0.00 -0.27 -0.97 121.76 127.11 1sxx s ALA 56 Ca -0.01 -1.00 0.08 0.00 0.00 0.00 0.00 51.96 51.03 1sxx s ALA 56 Cb -0.08 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 1sxx s ALA 56 CO 0.01 0.35 -0.13 -0.51 0.00 0.00 0.00 175.76 175.48 1sxx s LEU 57 N 0.11 2.90 -0.04 0.00 1.43 0.25 -0.78 118.68 122.55 1sxx s LEU 57 Ca -0.12 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.50 1sxx s LEU 57 Cb -0.16 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.39 1sxx s LEU 57 CO 0.06 0.16 -0.06 -0.47 0.23 0.00 0.00 176.35 176.28 1sxx s TYR 58 N -1.30 0.81 -0.01 0.29 5.04 -0.27 -1.59 117.35 120.32 1sxx s TYR 58 Ca 0.21 -0.22 0.06 0.00 -2.44 0.00 0.00 57.07 54.67 1sxx s TYR 58 Cb -0.10 -0.66 -0.01 0.00 0.35 0.00 0.00 41.96 41.53 1sxx s TYR 58 CO 0.13 -0.16 -0.19 -1.01 -1.34 0.00 0.00 175.55 172.97 1sxx s HIS 59 N 0.68 1.69 -0.14 4.97 3.76 -0.39 -1.81 115.29 124.06 1sxx s HIS 59 Ca -0.10 -0.32 -0.06 0.00 -0.15 0.00 0.00 55.06 54.44 1sxx s HIS 59 Cb -0.13 -1.09 0.06 0.00 1.11 0.00 0.00 32.58 32.54 1sxx s HIS 59 CO 0.01 -0.03 0.29 -0.47 -0.85 0.00 0.00 174.74 173.69 1sxx s TYR 60 N -0.44 -0.46 -0.41 1.40 5.04 -0.22 -1.79 117.35 120.46 1sxx s TYR 60 Ca 0.07 1.03 -0.20 0.00 -2.44 0.00 0.00 57.07 55.52 1sxx s TYR 60 Cb -0.07 0.06 0.02 0.00 0.35 0.00 0.00 41.96 42.31 1sxx s TYR 60 CO -0.01 -0.34 0.63 0.34 -1.34 0.00 0.00 175.55 174.83 1sxx s ASP 61 N 2.02 6.34 0.27 4.32 -1.08 -0.33 -1.22 116.67 127.00 1sxx s ASP 61 Ca -0.03 -0.20 0.24 0.00 -0.52 0.00 0.00 52.55 52.04 1sxx s ASP 61 Cb -0.11 -2.31 0.98 0.00 -1.46 0.00 0.00 42.92 40.02 1sxx s ASP 61 CO -0.10 -0.71 1.73 -0.81 0.52 0.00 0.00 175.17 175.81 1sxx n PRO 62 N 6.15 0.21 -0.08 4.34 -0.04 -1.26 -0.26 135.00 144.05 1sxx n PRO 62 Ca -0.02 0.41 -0.22 0.00 -0.04 0.00 0.00 63.50 63.64 1sxx n PRO 62 Cb 0.48 -1.89 -0.12 0.00 -0.04 0.00 0.00 33.50 31.93 1sxx n PRO 62 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1sxx n LYS 63 N -2.28 0.61 0.16 0.54 5.02 -1.26 -4.50 118.16 116.44 1sxx n LYS 63 Ca 0.02 0.51 0.11 0.00 -2.02 0.00 0.00 58.31 56.93 1sxx n LYS 63 Cb 0.25 -1.73 0.08 0.00 -0.02 0.00 0.00 35.03 33.60 1sxx n LYS 63 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1sxx h THR 64 N -0.78 0.03 0.00 -0.18 1.35 -1.96 -3.47 112.91 107.90 1sxx h THR 64 Ca -0.37 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 1sxx h THR 64 Cb 1.46 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 1sxx h THR 64 CO -0.16 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 175.13 1sxx n GLN 65 N -2.89 -0.62 -1.71 4.72 6.02 0.63 -5.00 117.38 118.53 1sxx n GLN 65 Ca 0.02 0.16 -0.42 0.00 -0.01 0.00 0.00 57.00 56.74 1sxx n GLN 65 Cb 0.55 -3.63 -0.03 0.00 1.02 0.00 0.00 30.24 28.15 1sxx n GLN 65 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1sxx n ASP 66 N -0.31 3.93 -3.88 1.08 2.03 -1.24 -4.77 116.55 113.40 1sxx n ASP 66 Ca 0.00 1.05 -0.18 0.00 0.52 0.00 0.00 54.79 56.18 1sxx n ASP 66 Cb 0.16 -1.56 -0.16 0.00 -0.72 0.00 0.00 41.12 38.84 1sxx n ASP 66 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1sxx s THR 67 N 1.44 0.35 -0.05 5.18 2.01 -1.26 -1.18 115.64 122.14 1sxx s THR 67 Ca 0.77 -0.06 -0.24 0.00 0.31 0.00 0.00 61.69 62.47 1sxx s THR 67 Cb -0.52 -0.39 0.05 0.00 0.01 0.00 0.00 72.50 71.65 1sxx s THR 67 CO 0.34 0.17 0.52 0.72 -0.69 0.00 0.00 174.62 175.67 1sxx s PHE 68 N 0.72 -0.47 0.15 4.92 -0.71 -0.74 -5.02 117.98 116.84 1sxx s PHE 68 Ca -0.08 0.82 0.08 0.00 -1.04 0.00 0.00 56.93 56.71 1sxx s PHE 68 Cb -0.11 0.27 -0.04 0.00 -1.21 0.00 0.00 43.02 41.92 1sxx s PHE 68 CO -0.01 -0.50 -0.10 0.71 -1.34 0.00 0.00 175.22 173.99 1sxx s TYR 69 N -1.13 2.66 0.03 3.49 1.51 -1.24 -1.26 117.35 121.42 1sxx s TYR 69 Ca -0.11 -0.20 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 1sxx s TYR 69 Cb -0.02 -1.33 -0.03 0.00 -0.11 0.00 0.00 41.96 40.47 1sxx s TYR 69 CO 0.07 0.48 -0.04 -0.51 -1.11 0.00 0.00 175.55 174.44 1sxx s ASP 70 N -2.61 0.44 -0.03 2.29 1.11 -0.62 -1.51 116.67 115.75 1sxx s ASP 70 Ca 0.23 -0.65 0.06 0.00 0.18 0.00 0.00 52.55 52.38 1sxx s ASP 70 Cb -0.10 0.11 -0.01 0.00 1.07 0.00 0.00 42.92 43.99 1sxx s ASP 70 CO 0.14 -0.37 -0.22 -0.69 1.18 0.00 0.00 175.17 175.22 1sxx s VAL 71 N -2.14 1.73 0.00 -1.27 1.01 -0.38 -0.58 120.40 118.77 1sxx s VAL 71 Ca -0.08 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 1sxx s VAL 71 Cb -0.05 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 1sxx s VAL 71 CO -0.03 0.49 0.03 -0.44 0.00 0.00 0.00 175.10 175.15 1sxx s SER 72 N -0.39 0.09 -0.34 3.32 0.01 -0.14 -1.29 113.70 114.95 1sxx s SER 72 Ca 0.05 -0.23 -0.18 0.00 1.31 0.00 0.00 55.95 56.91 1sxx s SER 72 Cb -0.10 0.12 -0.01 0.00 0.21 0.00 0.00 66.02 66.25 1sxx s SER 72 CO 0.00 -0.21 0.50 -0.70 0.41 0.00 0.00 173.24 173.24 1sxx s GLU 73 N -0.91 3.65 0.12 12.44 2.12 -1.26 -1.30 118.70 133.56 1sxx s GLU 73 Ca -0.10 -0.15 -0.30 0.00 0.36 0.00 0.00 54.97 54.78 1sxx s GLU 73 Cb -0.06 -3.80 -0.06 0.00 0.26 0.00 0.00 34.13 30.47 1sxx s GLU 73 CO -0.00 -0.61 1.08 -0.51 -0.54 0.00 0.00 175.26 174.68 1sxx s LEU 74 N 2.35 4.45 -0.03 2.70 1.02 -0.30 -4.34 118.68 124.55 1sxx s LEU 74 Ca 0.18 1.98 -0.02 0.00 0.02 0.00 0.00 54.13 56.29 1sxx s LEU 74 Cb -0.16 -3.59 -0.04 0.00 0.02 0.00 0.00 46.19 42.42 1sxx s LEU 74 CO 0.13 -0.25 0.12 -1.10 0.02 0.00 0.00 176.35 175.27 1sxx s GLN 75 N 0.13 3.24 -0.15 1.70 -1.52 0.01 -4.62 119.66 118.44 1sxx s GLN 75 Ca 0.51 -0.38 -0.21 0.00 -1.95 0.00 0.00 55.36 53.33 1sxx s GLN 75 Cb -0.27 -2.98 -0.03 0.00 -0.22 0.00 0.00 33.01 29.51 1sxx s GLN 75 CO 0.32 0.68 0.62 0.08 -0.25 0.00 0.00 175.29 176.74 1sxx s VAL 76 N -1.20 5.05 -0.17 1.09 1.01 -1.26 -1.38 120.40 123.54 1sxx s VAL 76 Ca 0.23 1.22 -0.05 0.00 0.00 0.00 0.00 61.98 63.38 1sxx s VAL 76 Cb -0.12 -3.95 -0.23 0.00 0.00 0.00 0.00 36.38 32.08 1sxx s VAL 76 CO 0.13 0.18 0.15 -0.62 0.00 0.00 0.00 175.10 174.94 1sxx n GLU 77 N 4.52 0.71 -3.83 2.72 -0.58 -0.13 -4.95 120.64 119.09 1sxx n GLU 77 Ca -0.02 0.24 -0.03 0.00 -0.42 0.00 0.00 57.16 56.93 1sxx n GLU 77 Cb 0.50 -1.64 0.01 0.00 -0.57 0.00 0.00 31.44 29.74 1sxx n GLU 77 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1sxx s SER 78 N -6.88 -0.05 0.07 1.62 1.04 -1.08 -5.02 113.70 103.40 1sxx s SER 78 Ca -0.27 -0.54 -0.31 0.00 0.48 0.00 0.00 55.95 55.31 1sxx s SER 78 Cb 0.08 0.46 -0.09 0.00 0.10 0.00 0.00 66.02 66.57 1sxx s SER 78 CO 0.70 -0.89 1.74 -0.22 0.98 0.00 0.00 173.24 175.56 1sxx s LEU 79 N -3.26 4.38 0.00 2.42 2.96 -1.26 -1.38 118.68 122.53 1sxx s LEU 79 Ca 0.19 2.57 0.00 0.00 -0.22 0.00 0.00 54.13 56.67 1sxx s LEU 79 Cb -0.02 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.12 1sxx s LEU 79 CO 0.04 -0.95 0.00 0.61 -1.32 0.00 0.00 176.35 174.73 1sxx n GLY 80 N 4.15 0.56 2.89 7.98 0.00 -1.26 -4.77 105.19 114.74 1sxx n GLY 80 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1sxx n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxx s LYS 81 N -0.13 1.25 0.10 1.61 1.02 -0.48 -1.06 119.74 122.05 1sxx s LYS 81 Ca 0.00 -0.18 0.03 0.00 0.02 0.00 0.00 55.97 55.84 1sxx s LYS 81 Cb 0.00 -1.32 -0.04 0.00 -0.52 0.00 0.00 37.83 35.95 1sxx s LYS 81 CO 0.00 -0.20 -0.09 0.71 -0.92 0.00 0.00 175.35 174.85 1sxx s TYR 82 N 1.50 1.03 -0.11 3.18 2.02 -0.08 -0.96 117.35 123.92 1sxx s TYR 82 Ca -0.00 -0.73 0.03 0.00 -0.37 0.00 0.00 57.07 56.00 1sxx s TYR 82 Cb -0.13 -0.56 0.00 0.00 -0.40 0.00 0.00 41.96 40.87 1sxx s TYR 82 CO -0.05 -0.03 -0.22 0.99 -1.57 0.00 0.00 175.55 174.67 1sxx s THR 83 N -2.84 2.15 -0.25 -0.71 2.01 -0.48 -1.26 115.64 114.27 1sxx s THR 83 Ca 0.08 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 61.12 1sxx s THR 83 Cb -0.00 -1.84 0.06 0.00 0.01 0.00 0.00 72.50 70.73 1sxx s THR 83 CO -0.01 0.55 -0.05 0.00 -0.69 0.00 0.00 174.62 174.42 1sxx s ALA 84 N 0.47 2.08 -0.23 7.40 0.00 0.48 -0.81 121.76 131.15 1sxx s ALA 84 Ca -0.15 -1.48 -0.25 0.00 0.00 0.00 0.00 51.96 50.08 1sxx s ALA 84 Cb -0.17 -1.49 -0.00 0.00 0.00 0.00 0.00 23.12 21.46 1sxx s ALA 84 CO 0.06 -1.23 0.84 -0.80 0.00 0.00 0.00 175.76 174.63 1sxx s ASN 85 N 1.33 6.86 0.04 0.00 0.01 -1.26 -0.92 114.94 121.00 1sxx s ASN 85 Ca -0.05 1.07 -0.00 0.00 -0.71 0.00 0.00 52.86 53.16 1sxx s ASN 85 Cb -0.19 -2.44 -0.04 0.00 0.41 0.00 0.00 41.25 38.99 1sxx s ASN 85 CO -0.07 -0.52 0.18 0.72 -1.51 0.00 0.00 177.10 175.91 1sxx s PHE 86 N 2.80 3.47 -0.08 2.20 -0.12 -1.21 -4.33 117.98 120.72 1sxx s PHE 86 Ca 0.36 0.25 0.05 0.00 -0.05 0.00 0.00 56.93 57.54 1sxx s PHE 86 Cb -0.15 -1.76 -0.01 0.00 -0.63 0.00 0.00 43.02 40.47 1sxx s PHE 86 CO 0.08 0.59 -0.24 -1.59 -0.05 0.00 0.00 175.22 174.01 1sxx s LYS 87 N -2.29 2.79 0.05 1.99 -2.85 -0.41 -4.15 119.74 114.86 1sxx s LYS 87 Ca 0.31 -0.89 -0.30 0.00 -1.00 0.00 0.00 55.97 54.10 1sxx s LYS 87 Cb -0.13 -2.24 -0.04 0.00 -2.06 0.00 0.00 37.83 33.36 1sxx s LYS 87 CO 0.24 0.29 1.04 0.21 0.10 0.00 0.00 175.35 177.23 1sxx s LYS 88 N 0.06 4.55 0.11 1.78 2.20 -0.55 -1.25 119.74 126.65 1sxx s LYS 88 Ca -0.10 1.54 0.03 0.00 -0.36 0.00 0.00 55.97 57.07 1sxx s LYS 88 Cb -0.16 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 1sxx s LYS 88 CO 0.06 -0.05 -0.08 0.14 -0.36 0.00 0.00 175.35 175.06 1sxx s VAL 89 N 0.75 0.86 1.06 4.02 -7.23 -0.57 -0.48 120.40 118.80 1sxx s VAL 89 Ca 0.53 -1.92 -0.17 0.00 -1.81 0.00 0.00 61.98 58.60 1sxx s VAL 89 Cb -0.24 -1.68 0.23 0.00 0.56 0.00 0.00 36.38 35.25 1sxx s VAL 89 CO 0.29 -0.79 1.21 1.51 -0.31 0.00 0.00 175.10 177.01 1sxx s ASP 90 N -2.99 2.25 0.50 4.85 1.47 -0.42 -3.64 116.67 118.69 1sxx s ASP 90 Ca 0.12 0.51 0.34 0.00 1.18 0.00 0.00 52.55 54.70 1sxx s ASP 90 Cb 0.03 -0.71 1.62 0.00 -0.34 0.00 0.00 42.92 43.52 1sxx s ASP 90 CO -0.03 -3.29 2.01 0.07 0.68 0.00 0.00 175.17 174.62 1sxx h LYS 91 N -2.02 0.00 -0.28 2.11 2.10 -1.95 -1.15 116.57 115.38 1sxx h LYS 91 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1sxx h LYS 91 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1sxx h LYS 91 CO 0.40 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.94 1sxx n ASN 92 N -2.80 2.56 0.00 7.07 3.02 -1.26 -4.78 115.26 119.06 1sxx n ASN 92 Ca -0.01 -1.86 0.00 0.00 -0.03 0.00 0.00 54.58 52.68 1sxx n ASN 92 Cb 0.17 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 1sxx n ASN 92 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sxx n GLY 93 N 1.31 0.74 3.73 7.41 0.00 -0.43 -5.01 105.19 112.94 1sxx n GLY 93 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1sxx n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sxx s ASN 94 N -2.41 7.08 -0.03 1.61 0.01 -1.26 -4.79 114.94 115.15 1sxx s ASN 94 Ca 0.00 2.16 -0.30 0.00 -0.71 0.00 0.00 52.86 54.01 1sxx s ASN 94 Cb 0.00 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 1sxx s ASN 94 CO 0.00 -0.41 1.20 -0.69 -1.51 0.00 0.00 177.10 175.69 1sxx s VAL 95 N 0.34 4.22 -0.26 1.60 1.01 -1.26 -1.31 120.40 124.74 1sxx s VAL 95 Ca 0.55 1.56 0.01 0.00 0.00 0.00 0.00 61.98 64.10 1sxx s VAL 95 Cb -0.32 -4.00 -0.17 0.00 0.00 0.00 0.00 36.38 31.90 1sxx s VAL 95 CO 0.34 0.03 -0.24 0.29 0.00 0.00 0.00 175.10 175.52 1sxx n LYS 96 N 4.92 0.65 -3.70 2.72 5.02 0.36 -4.93 118.16 123.20 1sxx n LYS 96 Ca 0.10 0.16 -0.24 0.00 -2.02 0.00 0.00 58.31 56.32 1sxx n LYS 96 Cb 0.46 -1.52 -0.17 0.00 -0.02 0.00 0.00 35.03 33.78 1sxx n LYS 96 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1sxx s VAL 97 N -2.52 0.15 0.83 -0.18 1.01 -0.85 -4.98 120.40 113.86 1sxx s VAL 97 Ca -0.35 0.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 1sxx s VAL 97 Cb 0.09 -0.51 0.09 0.00 0.00 0.00 0.00 36.38 36.05 1sxx s VAL 97 CO 0.59 0.04 1.13 0.00 0.00 0.00 0.00 175.10 176.87 1sxx s ALA 98 N 2.05 1.89 0.22 5.51 0.00 -1.26 -1.48 121.76 128.69 1sxx s ALA 98 Ca 0.03 0.52 -0.31 0.00 0.00 0.00 0.00 51.96 52.20 1sxx s ALA 98 Cb -0.14 -3.39 -0.14 0.00 0.00 0.00 0.00 23.12 19.45 1sxx s ALA 98 CO -0.06 -2.21 1.24 0.28 0.00 0.00 0.00 175.76 175.01 1sxx n VAL 99 N -3.68 1.11 -3.80 0.00 0.31 -1.26 -4.79 118.33 106.22 1sxx n VAL 99 Ca 0.11 -0.28 -0.13 0.00 -0.01 0.00 0.00 64.34 64.04 1sxx n VAL 99 Cb 0.52 -1.14 -0.13 0.00 -0.91 0.00 0.00 33.84 32.18 1sxx n VAL 99 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1sxx s THR 100 N -0.29 -0.01 0.32 2.52 2.01 -1.26 -5.07 115.64 113.85 1sxx s THR 100 Ca 0.69 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 62.44 1sxx s THR 100 Cb -0.74 -0.21 -0.12 0.00 0.01 0.00 0.00 72.50 71.43 1sxx s THR 100 CO 0.53 0.02 1.34 0.00 -0.69 0.00 0.00 174.62 175.82 1sxx n ALA 101 N 3.32 1.37 0.00 7.40 0.00 -1.26 -1.16 120.51 130.18 1sxx n ALA 101 Ca -0.16 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1sxx n ALA 101 Cb 0.57 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1sxx n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sxx n GLY 102 N 1.17 1.95 3.23 0.00 0.00 -1.26 -4.94 105.19 105.34 1sxx n GLY 102 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1sxx n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sxx s ASN 103 N -2.67 5.85 0.16 1.61 -0.87 -0.30 -2.78 114.94 115.95 1sxx s ASN 103 Ca 0.00 -2.12 -0.14 0.00 -1.57 0.00 0.00 52.86 49.03 1sxx s ASN 103 Cb 0.00 -2.04 0.02 0.00 -0.02 0.00 0.00 41.25 39.20 1sxx s ASN 103 CO 0.00 -0.66 0.39 -0.72 -2.57 0.00 0.00 177.10 173.55 1sxx s TYR 104 N 1.05 0.05 0.07 2.20 1.13 -0.60 -3.30 117.35 117.95 1sxx s TYR 104 Ca 0.08 -0.40 0.05 0.00 -1.41 0.00 0.00 57.07 55.40 1sxx s TYR 104 Cb -0.24 0.18 -0.03 0.00 -1.10 0.00 0.00 41.96 40.78 1sxx s TYR 104 CO -0.02 -0.78 -0.15 1.52 -2.51 0.00 0.00 175.55 173.61 1sxx s TYR 105 N -3.89 1.28 0.37 -3.49 1.13 -0.10 -0.53 117.35 112.13 1sxx s TYR 105 Ca 0.10 -0.44 -0.04 0.00 -1.41 0.00 0.00 57.07 55.28 1sxx s TYR 105 Cb 0.01 -0.73 -0.04 0.00 -1.10 0.00 0.00 41.96 40.10 1sxx s TYR 105 CO -0.05 0.07 0.63 0.95 -2.51 0.00 0.00 175.55 174.65 1sxx s THR 106 N -1.18 4.99 -0.17 -3.49 -4.23 -0.54 -0.39 115.64 110.63 1sxx s THR 106 Ca -0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.46 1sxx s THR 106 Cb -0.10 -3.80 0.08 0.00 1.34 0.00 0.00 72.50 70.02 1sxx s THR 106 CO 0.02 -0.54 0.31 0.12 -0.54 0.00 0.00 174.62 173.99 1sxx s PHE 107 N -2.35 -0.56 -0.12 3.99 5.36 -0.39 -2.72 117.98 121.20 1sxx s PHE 107 Ca 0.44 1.03 0.02 0.00 -0.96 0.00 0.00 56.93 57.46 1sxx s PHE 107 Cb -0.10 0.03 0.01 0.00 -0.34 0.00 0.00 43.02 42.62 1sxx s PHE 107 CO 0.36 -0.46 -0.16 0.99 -1.46 0.00 0.00 175.22 174.48 1sxx s THR 108 N 2.48 1.61 -0.55 0.12 2.01 -0.11 -0.90 115.64 120.28 1sxx s THR 108 Ca 0.02 -0.71 -0.21 0.00 0.31 0.00 0.00 61.69 61.11 1sxx s THR 108 Cb -0.13 -1.46 0.06 0.00 0.01 0.00 0.00 72.50 70.98 1sxx s THR 108 CO -0.11 0.46 0.77 -0.69 -0.69 0.00 0.00 174.62 174.36 1sxx s VAL 109 N 0.98 4.66 0.07 3.82 1.01 -0.23 -1.24 120.40 129.46 1sxx s VAL 109 Ca -0.06 -0.33 0.09 0.00 0.00 0.00 0.00 61.98 61.68 1sxx s VAL 109 Cb -0.15 -4.44 -0.18 0.00 0.00 0.00 0.00 36.38 31.61 1sxx s VAL 109 CO -0.02 -1.02 1.23 0.24 0.00 0.00 0.00 175.10 175.53 1sxx h MET 110 N 9.19 0.00 -2.37 2.72 2.86 -1.15 -0.18 114.93 126.00 1sxx h MET 110 Ca -0.28 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.28 1sxx h MET 110 Cb 1.08 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 32.53 1sxx h MET 110 CO 1.05 0.88 -0.04 -0.47 1.06 0.00 0.00 176.91 179.39 1sxx s TYR 111 N -2.73 -0.60 -0.07 -0.22 5.04 -1.03 -3.04 117.35 114.71 1sxx s TYR 111 Ca 0.01 1.39 -0.21 0.00 -2.44 0.00 0.00 57.07 55.82 1sxx s TYR 111 Cb 0.09 0.23 0.05 0.00 0.35 0.00 0.00 41.96 42.68 1sxx s TYR 111 CO 0.81 -0.34 0.48 0.00 -1.34 0.00 0.00 175.55 175.17 1sxx s ALA 112 N 0.03 -1.23 0.00 3.97 0.00 -1.26 -0.95 121.76 122.32 1sxx s ALA 112 Ca -0.02 0.94 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1sxx s ALA 112 Cb -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.91 1sxx s ALA 112 CO 0.02 -0.29 0.00 -0.40 0.00 0.00 0.00 175.76 175.09 1sxx n ASP 113 N 1.53 0.18 0.24 0.00 5.68 -0.24 -4.96 116.55 118.98 1sxx n ASP 113 Ca -0.19 -0.46 0.09 0.00 -0.50 0.00 0.00 54.79 53.74 1sxx n ASP 113 Cb 0.56 0.00 0.60 0.00 -1.14 0.00 0.00 41.12 41.14 1sxx n ASP 113 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1sxx h ASP 114 N 0.00 0.00 0.00 -1.12 3.32 -2.02 -3.31 116.42 113.29 1sxx h ASP 114 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sxx h ASP 114 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1sxx h ASP 114 CO 0.00 0.19 -0.76 -1.54 -1.72 0.00 0.00 179.24 175.40 1sxx n SER 115 N -3.83 2.56 -3.89 6.45 3.41 -1.26 -4.86 113.62 112.20 1sxx n SER 115 Ca -0.02 -0.23 -0.09 0.00 -0.26 0.00 0.00 58.87 58.27 1sxx n SER 115 Cb 0.29 1.10 -0.08 0.00 -0.26 0.00 0.00 64.21 65.26 1sxx n SER 115 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1sxx s SER 116 N -1.98 0.17 0.15 4.04 1.04 -1.25 -1.12 113.70 114.74 1sxx s SER 116 Ca -0.00 -0.69 -0.22 0.00 0.48 0.00 0.00 55.95 55.52 1sxx s SER 116 Cb 0.02 0.32 0.06 0.00 0.10 0.00 0.00 66.02 66.52 1sxx s SER 116 CO 0.15 -0.70 0.56 0.00 0.98 0.00 0.00 173.24 174.23 1sxx s ALA 117 N -3.80 -1.46 -0.11 5.32 0.00 -0.82 -1.08 121.76 119.80 1sxx s ALA 117 Ca 0.05 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.42 1sxx s ALA 117 Cb 0.05 0.82 0.02 0.00 0.00 0.00 0.00 23.12 24.00 1sxx s ALA 117 CO -0.11 -0.73 -0.14 -1.17 0.00 0.00 0.00 175.76 173.62 1sxx s LEU 118 N -2.71 1.65 0.19 0.00 2.96 -0.12 -0.49 118.68 120.16 1sxx s LEU 118 Ca 0.01 -0.41 0.08 0.00 -0.22 0.00 0.00 54.13 53.59 1sxx s LEU 118 Cb -0.00 -1.06 -0.04 0.00 0.50 0.00 0.00 46.19 45.59 1sxx s LEU 118 CO -0.12 -0.01 -0.17 0.27 -1.32 0.00 0.00 176.35 175.00 1sxx s ILE 119 N 1.12 1.81 -0.01 6.68 -5.25 -0.36 -0.76 121.20 124.44 1sxx s ILE 119 Ca -0.04 -2.07 0.08 0.00 -0.99 0.00 0.00 60.65 57.63 1sxx s ILE 119 Cb -0.14 -1.94 -0.02 0.00 2.95 0.00 0.00 42.46 43.30 1sxx s ILE 119 CO -0.03 -0.44 -0.24 -2.28 -1.79 0.00 0.00 174.94 170.16 1sxx s HIS 120 N -2.46 2.40 0.01 1.37 5.65 -0.38 -1.08 115.29 120.80 1sxx s HIS 120 Ca 0.19 -0.38 0.02 0.00 0.25 0.00 0.00 55.06 55.14 1sxx s HIS 120 Cb -0.04 -1.50 -0.01 0.00 -1.18 0.00 0.00 32.58 29.86 1sxx s HIS 120 CO 0.07 0.05 -0.06 -0.08 -0.65 0.00 0.00 174.74 174.07 1sxx s THR 121 N -0.69 0.43 -0.25 0.89 -1.32 0.22 -0.94 115.64 113.98 1sxx s THR 121 Ca 0.11 -0.55 0.02 0.00 -1.21 0.00 0.00 61.69 60.06 1sxx s THR 121 Cb -0.10 -0.43 0.05 0.00 -1.51 0.00 0.00 72.50 70.51 1sxx s THR 121 CO 0.00 -0.09 -0.11 0.00 -2.21 0.00 0.00 174.62 172.21 1sxx s LEU 123 N 1.16 4.27 -0.27 0.00 2.96 -1.26 -1.47 118.68 124.07 1sxx s LEU 123 Ca -0.06 0.84 0.00 0.00 -0.22 0.00 0.00 54.13 54.69 1sxx s LEU 123 Cb -0.19 -2.72 0.04 0.00 0.50 0.00 0.00 46.19 43.83 1sxx s LEU 123 CO -0.06 -0.02 -0.07 -1.00 -1.32 0.00 0.00 176.35 173.89 1sxx s HIS 124 N 0.68 3.18 -0.29 5.38 3.76 0.32 -4.40 115.29 123.91 1sxx s HIS 124 Ca 0.27 -1.92 0.00 0.00 -0.15 0.00 0.00 55.06 53.26 1sxx s HIS 124 Cb -0.15 -2.02 0.09 0.00 1.11 0.00 0.00 32.58 31.60 1sxx s HIS 124 CO 0.11 -0.81 0.06 0.21 -0.85 0.00 0.00 174.74 173.45 1sxx s LYS 125 N 1.22 1.03 4.36 1.40 2.20 -1.25 -1.55 119.74 127.14 1sxx s LYS 125 Ca -0.04 -1.18 0.00 0.00 -0.36 0.00 0.00 55.97 54.39 1sxx s LYS 125 Cb -0.19 -2.36 0.00 0.00 -1.51 0.00 0.00 37.83 33.77 1sxx s LYS 125 CO -0.04 -0.88 0.00 0.41 -0.36 0.00 0.00 175.35 174.48 1sxx n GLY 126 N 4.71 3.24 0.05 5.54 0.00 -1.12 -1.57 105.19 116.04 1sxx n GLY 126 Ca -0.03 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1sxx n GLY 126 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sxx n ASN 127 N 4.40 0.29 -4.79 1.61 5.03 -1.26 -4.93 115.26 115.61 1sxx n ASN 127 Ca 0.00 0.55 -0.36 0.00 0.87 0.00 0.00 54.58 55.65 1sxx n ASN 127 Cb 0.00 -0.62 -0.04 0.00 -1.02 0.00 0.00 39.78 38.10 1sxx n ASN 127 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1sxx s LYS 128 N -3.10 4.01 0.10 3.52 2.20 -0.61 -4.99 119.74 120.88 1sxx s LYS 128 Ca 0.08 1.46 -0.31 0.00 -0.36 0.00 0.00 55.97 56.85 1sxx s LYS 128 Cb 0.12 -2.36 -0.07 0.00 -1.51 0.00 0.00 37.83 34.01 1sxx s LYS 128 CO 0.41 -0.26 1.25 0.00 -0.36 0.00 0.00 175.35 176.38 1sxx s ALA 129 N -1.78 3.46 0.50 3.13 0.00 -1.26 -4.55 121.76 121.26 1sxx s ALA 129 Ca 0.62 0.95 -0.10 0.00 0.00 0.00 0.00 51.96 53.43 1sxx s ALA 129 Cb -0.20 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 1sxx s ALA 129 CO 0.25 -0.47 0.87 0.00 0.00 0.00 0.00 175.76 176.41 1sxx s ALA 130 N 0.84 3.26 -0.12 0.00 0.00 -1.26 -5.00 121.76 119.47 1sxx s ALA 130 Ca 0.59 -0.22 -0.20 0.00 0.00 0.00 0.00 51.96 52.13 1sxx s ALA 130 Cb -0.32 -2.82 0.05 0.00 0.00 0.00 0.00 23.12 20.02 1sxx s ALA 130 CO 0.31 -0.33 0.51 0.20 0.00 0.00 0.00 175.76 176.45 1sxx s GLY 131 N -3.73 -0.38 0.13 0.00 0.00 -1.26 -3.27 107.32 98.81 1sxx s GLY 131 Ca 0.52 1.18 -0.31 0.00 0.00 0.00 0.00 44.72 46.11 1sxx s GLY 131 CO 0.42 0.94 1.50 0.99 0.00 0.00 0.00 173.10 176.95 1sxx s ASP 132 N -0.41 6.70 -0.14 1.64 1.01 -1.26 -4.49 116.67 119.71 1sxx s ASP 132 Ca -0.06 2.46 0.00 0.00 0.71 0.00 0.00 52.55 55.67 1sxx s ASP 132 Cb -0.03 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.33 1sxx s ASP 132 CO 0.04 -0.76 -0.14 -0.22 0.21 0.00 0.00 175.17 174.30 1sxx s LEU 133 N 1.35 1.64 -0.02 1.23 2.96 -0.62 -1.28 118.68 123.93 1sxx s LEU 133 Ca 0.68 -0.46 -0.02 0.00 -0.22 0.00 0.00 54.13 54.11 1sxx s LEU 133 Cb -0.40 -1.14 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 1sxx s LEU 133 CO 0.31 -0.05 0.11 -0.31 -1.32 0.00 0.00 176.35 175.09 1sxx s TYR 134 N 1.44 3.39 -0.01 5.38 2.02 0.18 -0.61 117.35 129.13 1sxx s TYR 134 Ca 0.03 0.29 0.00 0.00 -0.37 0.00 0.00 57.07 57.02 1sxx s TYR 134 Cb -0.13 -1.79 0.02 0.00 -0.40 0.00 0.00 41.96 39.66 1sxx s TYR 134 CO -0.09 0.59 0.01 0.00 -1.57 0.00 0.00 175.55 174.49 1sxx s ALA 135 N -1.19 0.13 -0.15 3.71 0.00 -0.24 -0.88 121.76 123.15 1sxx s ALA 135 Ca 0.23 0.14 -0.20 0.00 0.00 0.00 0.00 51.96 52.12 1sxx s ALA 135 Cb -0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1sxx s ALA 135 CO 0.13 -0.05 0.59 0.08 0.00 0.00 0.00 175.76 176.51 1sxx s VAL 136 N 0.64 5.08 0.16 0.00 1.01 -0.05 -1.22 120.40 126.01 1sxx s VAL 136 Ca -0.06 1.15 0.07 0.00 0.00 0.00 0.00 61.98 63.15 1sxx s VAL 136 Cb -0.08 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1sxx s VAL 136 CO -0.02 0.21 -0.04 -0.76 0.00 0.00 0.00 175.10 174.50 1sxx s LEU 137 N 1.27 3.21 0.03 3.92 1.43 0.36 -0.98 118.68 127.92 1sxx s LEU 137 Ca 0.29 -0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 52.94 1sxx s LEU 137 Cb -0.16 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 1sxx s LEU 137 CO 0.12 0.12 0.07 0.21 0.23 0.00 0.00 176.35 177.09 1sxx s ASN 138 N -2.74 0.18 0.45 2.29 3.84 -0.35 -1.95 114.94 116.66 1sxx s ASN 138 Ca 0.26 -0.49 0.24 0.00 0.21 0.00 0.00 52.86 53.09 1sxx s ASN 138 Cb -0.10 0.19 0.94 0.00 -0.55 0.00 0.00 41.25 41.73 1sxx s ASN 138 CO 0.17 -0.44 1.83 0.03 -2.79 0.00 0.00 177.10 175.91 1sxx h ARG 139 N 3.99 0.00 -5.00 0.43 2.47 -1.38 -0.52 114.38 114.37 1sxx h ARG 139 Ca -0.32 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 57.75 1sxx h ARG 139 Cb 1.19 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.26 1sxx h ARG 139 CO 0.47 0.22 -0.68 1.21 0.56 0.00 0.00 179.97 181.75 1sxx s ASN 140 N -6.17 4.69 0.62 7.04 3.84 -1.26 -4.82 114.94 118.87 1sxx s ASN 140 Ca 0.01 -0.29 0.38 0.00 0.21 0.00 0.00 52.86 53.16 1sxx s ASN 140 Cb 0.10 -1.82 2.03 0.00 -0.55 0.00 0.00 41.25 41.02 1sxx s ASN 140 CO 0.63 -0.01 2.26 0.07 -2.79 0.00 0.00 177.10 177.26 1sxx h LYS 141 N 8.05 0.00 -0.26 0.43 2.10 -1.94 -2.33 116.57 122.61 1sxx h LYS 141 Ca -0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 1sxx h LYS 141 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1sxx h LYS 141 CO 0.59 0.02 0.00 -0.25 -2.00 0.00 0.00 179.45 177.81 1sxx n ASP 142 N -3.34 3.23 -4.71 7.07 8.00 -1.26 -4.93 116.55 120.61 1sxx n ASP 142 Ca -0.02 -1.96 -0.42 0.00 0.71 0.00 0.00 54.79 53.09 1sxx n ASP 142 Cb 0.12 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 1sxx n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sxx s ALA 143 N -1.57 3.44 0.43 2.24 0.00 -0.88 -5.01 121.76 120.41 1sxx s ALA 143 Ca 0.33 0.83 -0.24 0.00 0.00 0.00 0.00 51.96 52.88 1sxx s ALA 143 Cb 0.21 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 1sxx s ALA 143 CO 0.29 -0.54 1.23 0.00 0.00 0.00 0.00 175.76 176.74 1sxx s ALA 144 N 1.38 3.10 0.13 0.00 0.00 -1.26 -4.94 121.76 120.16 1sxx s ALA 144 Ca 0.59 1.08 -0.31 0.00 0.00 0.00 0.00 51.96 53.32 1sxx s ALA 144 Cb -0.29 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.29 1sxx s ALA 144 CO 0.28 -0.74 1.70 0.00 0.00 0.00 0.00 175.76 177.00 1sxx s ALA 145 N -1.39 3.77 0.71 0.00 0.00 -1.26 -4.98 121.76 118.60 1sxx s ALA 145 Ca 0.60 1.37 -0.02 0.00 0.00 0.00 0.00 51.96 53.92 1sxx s ALA 145 Cb -0.33 -3.70 0.12 0.00 0.00 0.00 0.00 23.12 19.21 1sxx s ALA 145 CO 0.42 -1.05 0.83 0.41 0.00 0.00 0.00 175.76 176.36 1sxx n GLY 146 N 4.02 0.44 0.22 0.00 0.00 -1.26 -4.87 105.19 103.75 1sxx n GLY 146 Ca 0.16 -1.98 -0.03 0.00 0.00 0.00 0.00 46.02 44.17 1sxx n GLY 146 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sxx h ASP 147 N -0.58 0.39 -0.03 1.61 5.19 -1.98 -1.31 116.42 119.71 1sxx h ASP 147 Ca -0.27 -0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 55.98 1sxx h ASP 147 Cb 0.98 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.38 1sxx h ASP 147 CO 0.28 0.71 0.01 0.11 -3.12 0.00 0.00 179.24 177.24 1sxx h LYS 148 N 0.33 0.05 -0.01 3.56 1.57 -1.99 -0.65 116.57 119.42 1sxx h LYS 148 Ca 0.04 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.61 1sxx h LYS 148 Cb 0.76 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1sxx h LYS 148 CO 0.06 0.20 -0.85 -0.24 -0.57 0.00 0.00 179.45 178.05 1sxx h VAL 149 N -0.11 1.45 -0.42 0.50 3.04 -1.93 -2.15 116.25 116.62 1sxx h VAL 149 Ca 0.01 -2.47 -0.09 0.00 -1.01 0.00 0.00 66.70 63.14 1sxx h VAL 149 Cb 0.17 2.37 -0.02 0.00 -2.01 0.00 0.00 31.29 31.80 1sxx h VAL 149 CO -0.00 0.73 -0.12 0.11 -1.01 0.00 0.00 177.57 177.27 1sxx h LYS 150 N 0.16 0.76 -0.61 4.17 1.57 -1.19 -1.10 116.57 120.33 1sxx h LYS 150 Ca -0.05 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.42 1sxx h LYS 150 Cb 1.46 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.68 1sxx h LYS 150 CO 0.13 0.85 0.13 0.77 -0.57 0.00 0.00 179.45 180.77 1sxx h SER 151 N 0.69 0.90 -0.37 0.86 0.02 -0.98 -2.04 113.55 112.63 1sxx h SER 151 Ca 0.11 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 1sxx h SER 151 Cb 0.60 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1sxx h SER 151 CO 0.04 0.88 0.09 0.00 -1.14 0.00 0.00 176.83 176.70 1sxx h ALA 152 N 1.23 1.33 -0.32 3.77 0.00 -0.78 0.11 119.26 124.59 1sxx h ALA 152 Ca 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1sxx h ALA 152 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1sxx h ALA 152 CO 0.00 0.48 0.17 0.28 0.00 0.00 0.00 179.25 180.18 1sxx h VAL 153 N 0.65 1.14 -0.86 0.00 2.07 -0.72 -1.51 116.25 117.02 1sxx h VAL 153 Ca 0.15 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.31 1sxx h VAL 153 Cb 0.27 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1sxx h VAL 153 CO 0.00 0.14 0.57 -1.28 0.02 0.00 0.00 177.57 177.02 1sxx h SER 154 N 0.40 0.99 0.66 0.57 0.87 -0.76 -2.11 113.55 114.16 1sxx h SER 154 Ca 0.11 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1sxx h SER 154 Cb 0.07 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.78 1sxx h SER 154 CO -0.02 0.72 -0.08 0.00 -0.53 0.00 0.00 176.83 176.92 1sxx h ALA 155 N 1.31 1.08 -0.07 6.23 0.00 -0.35 0.12 119.26 127.58 1sxx h ALA 155 Ca 0.31 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1sxx h ALA 155 Cb -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1sxx h ALA 155 CO -0.07 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1sxx n ALA 156 N -2.17 2.56 -3.59 0.00 0.00 -0.61 -4.91 120.51 111.80 1sxx n ALA 156 Ca -0.01 -0.25 -0.22 0.00 0.00 0.00 0.00 53.44 52.96 1sxx n ALA 156 Cb 0.28 -1.18 0.08 0.00 0.00 0.00 0.00 19.45 18.62 1sxx n ALA 156 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1sxx n THR 157 N -0.35 -3.90 -4.45 0.00 -1.04 0.40 -5.02 114.28 99.92 1sxx n THR 157 Ca 0.13 -0.18 -0.24 0.00 -2.04 0.00 0.00 64.05 61.72 1sxx n THR 157 Cb 0.15 -4.18 -0.10 0.00 -1.82 0.00 0.00 70.33 64.38 1sxx n THR 157 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1sxx s LEU 158 N -6.99 2.64 -0.29 -4.42 1.43 -0.84 -5.04 118.68 105.17 1sxx s LEU 158 Ca 0.38 -1.00 -0.08 0.00 -1.03 0.00 0.00 54.13 52.41 1sxx s LEU 158 Cb -0.17 -1.15 -0.00 0.00 0.03 0.00 0.00 46.19 44.89 1sxx s LEU 158 CO 0.74 0.04 0.09 -1.61 0.23 0.00 0.00 176.35 175.85 1sxx s GLU 159 N -3.52 3.28 0.53 1.70 2.02 -1.26 -3.81 118.70 117.64 1sxx s GLU 159 Ca 0.30 -0.74 0.18 0.00 0.02 0.00 0.00 54.97 54.74 1sxx s GLU 159 Cb -0.05 -3.40 1.34 0.00 0.10 0.00 0.00 34.13 32.12 1sxx s GLU 159 CO 0.15 -0.38 2.15 0.35 0.02 0.00 0.00 175.26 177.56 1sxx h PHE 160 N 8.26 0.00 -0.05 1.61 3.57 -1.91 -1.13 116.94 127.29 1sxx h PHE 160 Ca -0.33 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.18 1sxx h PHE 160 Cb 1.14 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 1sxx h PHE 160 CO 0.63 0.00 0.09 0.66 -2.23 0.00 0.00 178.31 177.46 1sxx h SER 161 N 0.00 0.00 1.54 0.41 4.64 -2.02 -0.81 113.55 117.32 1sxx h SER 161 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1sxx h SER 161 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1sxx h SER 161 CO -0.00 0.00 -0.31 0.11 -0.87 0.00 0.00 176.83 175.76 1sxx h LYS 162 N 0.00 0.00 -6.95 4.77 1.79 -1.62 -3.46 116.57 111.09 1sxx h LYS 162 Ca 0.02 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.98 1sxx h LYS 162 Cb 0.21 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 30.92 1sxx h LYS 162 CO -0.00 0.00 0.54 -0.06 -1.08 0.00 0.00 179.45 178.85 1sxx s PHE 163 N -3.22 2.95 -0.18 -1.35 0.40 -0.31 -4.88 117.98 111.38 1sxx s PHE 163 Ca 0.06 1.50 -0.13 0.00 -0.60 0.00 0.00 56.93 57.76 1sxx s PHE 163 Cb 0.08 -3.50 -0.05 0.00 0.51 0.00 0.00 43.02 40.07 1sxx s PHE 163 CO 0.69 -1.64 0.25 0.42 0.70 0.00 0.00 175.22 175.64 1sxx s ILE 164 N -1.37 5.33 0.42 0.64 1.01 0.57 -4.84 121.20 122.96 1sxx s ILE 164 Ca 0.58 0.43 -0.22 0.00 0.00 0.00 0.00 60.65 61.44 1sxx s ILE 164 Cb -0.33 -3.59 -0.10 0.00 0.01 0.00 0.00 42.46 38.45 1sxx s ILE 164 CO 0.42 0.38 0.97 -0.55 0.00 0.00 0.00 174.94 176.16 1sxx s SER 165 N 0.58 6.88 0.00 3.58 0.15 -1.26 -0.86 113.70 122.77 1sxx s SER 165 Ca 0.14 1.77 0.25 0.00 0.70 0.00 0.00 55.95 58.81 1sxx s SER 165 Cb -0.13 -2.55 0.52 0.00 -1.71 0.00 0.00 66.02 62.15 1sxx s SER 165 CO 0.03 -0.40 1.45 0.35 1.20 0.00 0.00 173.24 175.86 1sxx n THR 166 N -0.50 0.05 0.29 6.45 -2.24 -0.10 -4.69 114.28 113.53 1sxx n THR 166 Ca 0.07 -0.43 0.17 0.00 -2.27 0.00 0.00 64.05 61.58 1sxx n THR 166 Cb 0.53 1.07 0.64 0.00 -2.10 0.00 0.00 70.33 70.48 1sxx n THR 166 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1sxx h LYS 167 N 3.79 0.00 -0.72 -0.78 2.10 -1.91 -2.99 116.57 116.07 1sxx h LYS 167 Ca 0.00 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.40 1sxx h LYS 167 Cb 0.81 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 31.99 1sxx h LYS 167 CO 0.00 0.00 0.29 0.39 -2.00 0.00 0.00 179.45 178.13 1sxx n GLU 168 N -3.03 3.25 -0.13 0.07 1.02 -1.26 -4.44 120.64 116.13 1sxx n GLU 168 Ca 0.01 -3.08 0.07 0.00 -0.02 0.00 0.00 57.16 54.14 1sxx n GLU 168 Cb 0.31 -2.15 0.14 0.00 -0.02 0.00 0.00 31.44 29.72 1sxx n GLU 168 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1sxx n ASN 169 N -0.44 2.74 -2.62 1.62 3.02 -1.13 -4.99 115.26 113.46 1sxx n ASN 169 Ca 0.42 -1.83 -0.18 0.00 -0.03 0.00 0.00 54.58 52.96 1sxx n ASN 169 Cb 1.37 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 40.37 1sxx n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1sxx n ASN 170 N 0.76 -5.03 -4.76 6.41 4.13 -1.26 -4.90 115.26 110.61 1sxx n ASN 170 Ca 0.12 -0.03 -0.40 0.00 1.68 0.00 0.00 54.58 55.95 1sxx n ASN 170 Cb 0.42 -4.18 -0.04 0.00 -1.54 0.00 0.00 39.78 34.43 1sxx n ASN 170 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sxx s ALA 172 N -1.09 1.53 0.11 0.00 0.00 -1.26 -5.14 121.76 115.91 1sxx s ALA 172 Ca 0.45 -0.68 0.10 0.00 0.00 0.00 0.00 51.96 51.83 1sxx s ALA 172 Cb -0.31 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 1sxx s ALA 172 CO 0.40 0.27 -0.26 0.71 0.00 0.00 0.00 175.76 176.87 1sxx s TYR 173 N 0.09 2.22 -0.88 0.00 2.02 -1.26 -5.07 117.35 114.46 1sxx s TYR 173 Ca -0.05 -0.39 -0.13 0.00 -0.37 0.00 0.00 57.07 56.13 1sxx s TYR 173 Cb -0.12 -1.23 0.23 0.00 -0.40 0.00 0.00 41.96 40.44 1sxx s TYR 173 CO 0.03 0.28 0.83 0.34 -1.57 0.00 0.00 175.55 175.45 1sxx s ASP 174 N -1.87 6.84 0.38 2.29 -1.08 -1.26 -4.89 116.67 117.08 1sxx s ASP 174 Ca 0.12 -2.90 0.05 0.00 -0.52 0.00 0.00 52.55 49.30 1sxx s ASP 174 Cb -0.10 -2.20 0.76 0.00 -1.46 0.00 0.00 42.92 39.92 1sxx s ASP 174 CO 0.05 -0.50 2.02 0.78 0.52 0.00 0.00 175.17 178.03 1sxx h ASN 175 N 7.50 0.54 -0.49 -0.34 -0.26 -1.99 -2.51 115.58 118.04 1sxx h ASN 175 Ca 0.12 -0.03 -0.05 0.00 -0.56 0.00 0.00 56.30 55.78 1sxx h ASN 175 Cb 1.00 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 38.10 1sxx h ASN 175 CO 0.80 0.43 0.09 0.44 -1.06 0.00 0.00 177.43 178.14 1sxx h ASP 176 N 0.63 0.76 -0.54 5.81 3.32 -2.00 -1.65 116.42 122.76 1sxx h ASP 176 Ca 0.16 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 1sxx h ASP 176 Cb -0.01 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1sxx h ASP 176 CO -0.03 0.82 0.19 -1.28 -1.72 0.00 0.00 179.24 177.22 1sxx h SER 177 N 0.67 0.76 -0.56 6.45 0.87 -1.79 -1.37 113.55 118.58 1sxx h SER 177 Ca 0.15 -0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1sxx h SER 177 Cb 0.37 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 1sxx h SER 177 CO 0.01 0.74 0.34 -0.07 -0.53 0.00 0.00 176.83 177.32 1sxx h LEU 178 N 0.73 0.67 -0.46 2.23 3.38 -1.22 0.19 115.31 120.83 1sxx h LEU 178 Ca 0.18 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1sxx h LEU 178 Cb 0.23 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1sxx h LEU 178 CO -0.01 0.53 0.09 0.11 0.09 0.00 0.00 178.44 179.24 1sxx h LYS 179 N 0.75 0.76 -0.04 1.13 1.57 -1.19 -3.06 116.57 116.50 1sxx h LYS 179 Ca 0.20 -0.20 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1sxx h LYS 179 Cb -0.02 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1sxx h LYS 179 CO -0.04 0.77 -0.53 0.66 -0.57 0.00 0.00 179.45 179.74 1sxx h SER 180 N 0.63 0.11 0.16 0.86 4.64 -0.92 -2.79 113.55 116.23 1sxx h SER 180 Ca 0.14 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1sxx h SER 180 Cb 0.37 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1sxx h SER 180 CO 0.01 0.62 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.48 1sxx h LEU 181 N 0.08 0.00 -2.11 5.97 3.38 -0.86 -2.06 115.31 119.70 1sxx h LEU 181 Ca -0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1sxx h LEU 181 Cb 0.96 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1sxx h LEU 181 CO 0.07 0.04 0.27 -0.07 0.09 0.00 0.00 178.44 178.85 1sxx h LEU 182 N 0.00 0.00 -0.29 1.67 3.38 -1.49 -1.43 115.31 117.16 1sxx h LEU 182 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sxx h LEU 182 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1sxx h LEU 182 CO 0.01 0.00 -0.24 0.35 0.09 0.00 0.00 178.44 178.65 1sxx n THR 183 N -3.97 0.00 0.90 0.22 -2.24 -0.77 -4.71 114.28 103.71 1sxx n THR 183 Ca 0.04 -0.07 0.11 0.00 -2.27 0.00 0.00 64.05 61.86 1sxx n THR 183 Cb 0.43 0.15 0.09 0.00 -2.10 0.00 0.00 70.33 68.89 1sxx n THR 183 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79