#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u18 s THR 4 N -3.34 3.35 -0.48 0.00 -1.32 -1.26 -5.03 115.64 107.56 1u18 s THR 4 Ca 0.60 -0.61 0.15 0.00 -1.21 0.00 0.00 61.69 60.62 1u18 s THR 4 Cb -0.11 -2.34 0.53 0.00 -1.51 0.00 0.00 72.50 69.07 1u18 s THR 4 CO 0.47 0.59 1.44 1.17 -2.21 0.00 0.00 174.62 176.08 1u18 n LYS 5 N 2.30 3.21 -0.12 7.08 3.00 -1.26 -4.53 118.16 127.84 1u18 n LYS 5 Ca -0.18 -2.70 0.04 0.00 -0.00 0.00 0.00 58.31 55.48 1u18 n LYS 5 Cb 0.53 -1.76 0.11 0.00 0.00 0.00 0.00 35.03 33.90 1u18 n LYS 5 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1u18 n ASN 6 N 0.04 1.30 -4.71 3.14 5.03 -1.26 -4.89 115.26 113.91 1u18 n ASN 6 Ca 0.20 -2.00 -0.42 0.00 0.87 0.00 0.00 54.58 53.23 1u18 n ASN 6 Cb 0.81 -0.17 -0.03 0.00 -1.02 0.00 0.00 39.78 39.38 1u18 n ASN 6 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1u18 s ALA 7 N -1.68 3.69 -0.17 5.41 0.00 -1.26 -4.98 121.76 122.77 1u18 s ALA 7 Ca 0.16 1.24 -0.12 0.00 0.00 0.00 0.00 51.96 53.24 1u18 s ALA 7 Cb 0.08 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1u18 s ALA 7 CO 0.11 -0.79 0.21 -0.51 0.00 0.00 0.00 175.76 174.78 1u18 s LEU 8 N 1.44 4.25 0.51 0.00 1.43 -1.26 -5.00 118.68 120.04 1u18 s LEU 8 Ca 0.69 0.39 -0.21 0.00 -1.03 0.00 0.00 54.13 53.97 1u18 s LEU 8 Cb -0.40 -2.23 -0.07 0.00 0.03 0.00 0.00 46.19 43.53 1u18 s LEU 8 CO 0.31 0.17 1.13 0.00 0.23 0.00 0.00 176.35 178.19 1u18 s ALA 9 N 0.26 2.82 0.13 4.21 0.00 -1.26 -4.12 121.76 123.79 1u18 s ALA 9 Ca 0.13 0.84 -0.31 0.00 0.00 0.00 0.00 51.96 52.62 1u18 s ALA 9 Cb -0.12 -3.36 -0.10 0.00 0.00 0.00 0.00 23.12 19.54 1u18 s ALA 9 CO 0.01 -0.68 1.78 -1.14 0.00 0.00 0.00 175.76 175.74 1u18 s GLN 10 N -3.05 4.14 0.23 0.00 0.74 -0.15 -4.91 119.66 116.66 1u18 s GLN 10 Ca 0.69 2.56 -0.31 0.00 0.05 0.00 0.00 55.36 58.34 1u18 s GLN 10 Cb -0.25 -3.49 -0.11 0.00 1.10 0.00 0.00 33.01 30.26 1u18 s GLN 10 CO 0.29 -0.81 1.63 0.99 -0.55 0.00 0.00 175.29 176.84 1u18 s THR 11 N 2.40 2.21 -0.92 -0.34 2.01 -1.26 -1.63 115.64 118.11 1u18 s THR 11 Ca 0.79 0.16 -0.00 0.00 0.31 0.00 0.00 61.69 62.95 1u18 s THR 11 Cb -0.46 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 68.95 1u18 s THR 11 CO 0.35 0.02 0.03 0.61 -0.69 0.00 0.00 174.62 174.93 1u18 n GLY 12 N 3.25 -0.07 3.65 4.40 0.00 -1.26 -4.96 105.19 110.20 1u18 n GLY 12 Ca 0.12 -0.42 -0.49 0.00 0.00 0.00 0.00 46.02 45.24 1u18 n GLY 12 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1u18 n PHE 13 N -4.00 2.07 -3.36 1.61 7.35 -0.65 -4.94 117.46 115.54 1u18 n PHE 13 Ca -0.12 0.33 -0.45 0.00 -0.76 0.00 0.00 57.45 56.45 1u18 n PHE 13 Cb 0.60 -2.51 -0.05 0.00 0.35 0.00 0.00 39.48 37.87 1u18 n PHE 13 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1u18 s ASN 14 N 1.60 6.29 0.42 -2.13 3.84 -1.26 -4.96 114.94 118.74 1u18 s ASN 14 Ca 0.84 -2.17 0.14 0.00 0.21 0.00 0.00 52.86 51.88 1u18 s ASN 14 Cb -0.78 -2.17 1.00 0.00 -0.55 0.00 0.00 41.25 38.75 1u18 s ASN 14 CO 0.45 -0.72 1.94 0.50 -2.79 0.00 0.00 177.10 176.48 1u18 h LYS 15 N 8.36 0.45 -0.07 0.43 3.64 -2.00 -3.00 116.57 124.37 1u18 h LYS 15 Ca -0.13 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.08 1u18 h LYS 15 Cb 1.07 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1u18 h LYS 15 CO 0.90 0.30 -0.58 -0.44 -2.27 0.00 0.00 179.45 177.36 1u18 h ASP 16 N 0.46 0.26 0.04 4.20 3.32 -1.93 -0.85 116.42 121.92 1u18 h ASP 16 Ca 0.34 -0.14 -0.22 0.00 0.02 0.00 0.00 57.03 57.03 1u18 h ASP 16 Cb 0.68 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.17 1u18 h ASP 16 CO -0.11 0.78 -0.80 0.11 -1.72 0.00 0.00 179.24 177.50 1u18 h LYS 17 N 0.17 0.63 -0.00 3.56 1.57 -1.95 -3.32 116.57 117.23 1u18 h LYS 17 Ca -0.00 -0.54 -0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1u18 h LYS 17 Cb 1.07 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1u18 h LYS 17 CO 0.09 1.16 -0.01 -0.92 -0.57 0.00 0.00 179.45 179.20 1u18 h TYR 18 N 0.42 0.01 -1.18 -1.35 3.20 -1.48 -3.35 116.97 113.24 1u18 h TYR 18 Ca -0.05 -0.01 -0.74 0.00 3.14 0.00 0.00 58.73 61.07 1u18 h TYR 18 Cb 1.42 -0.00 -0.13 0.00 1.54 0.00 0.00 36.73 39.56 1u18 h TYR 18 CO 0.07 0.77 2.32 1.19 -1.64 0.00 0.00 178.16 180.87 1u18 n PHE 19 N -4.72 2.57 -0.07 -3.82 3.72 -0.33 -4.57 117.46 110.24 1u18 n PHE 19 Ca -0.09 -2.79 0.09 0.00 -0.05 0.00 0.00 57.45 54.61 1u18 n PHE 19 Cb 0.38 -1.80 0.22 0.00 -0.94 0.00 0.00 39.48 37.33 1u18 n PHE 19 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1u18 n ASN 20 N 1.64 3.33 0.00 4.37 0.23 -1.03 -4.34 115.26 119.47 1u18 n ASN 20 Ca 0.62 -1.95 0.00 0.00 -0.53 0.00 0.00 54.58 52.72 1u18 n ASN 20 Cb 0.26 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 1u18 n ASN 20 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1u18 n GLY 21 N 1.16 2.30 3.91 4.83 0.00 0.39 -4.96 105.19 112.81 1u18 n GLY 21 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1u18 n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u18 s ASP 22 N -3.10 4.47 0.12 1.61 1.01 -1.26 -4.67 116.67 114.85 1u18 s ASP 22 Ca 0.00 0.65 -0.27 0.00 0.71 0.00 0.00 52.55 53.65 1u18 s ASP 22 Cb 0.00 -1.15 -0.07 0.00 1.01 0.00 0.00 42.92 42.71 1u18 s ASP 22 CO 0.00 -1.90 0.84 -0.69 0.21 0.00 0.00 175.17 173.63 1u18 s VAL 23 N -3.52 4.48 -0.14 -1.27 1.01 -1.26 -3.69 120.40 116.01 1u18 s VAL 23 Ca 0.62 1.82 -0.03 0.00 0.00 0.00 0.00 61.98 64.39 1u18 s VAL 23 Cb -0.10 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 1u18 s VAL 23 CO 0.48 0.42 -0.05 0.26 0.00 0.00 0.00 175.10 176.21 1u18 s TRP 24 N -0.51 3.01 -0.09 5.22 0.52 0.55 -4.53 118.94 123.09 1u18 s TRP 24 Ca 0.40 -0.26 -0.09 0.00 0.02 0.00 0.00 56.10 56.18 1u18 s TRP 24 Cb -0.23 -1.91 -0.04 0.00 -1.15 0.00 0.00 33.47 30.14 1u18 s TRP 24 CO 0.27 0.02 0.20 0.71 0.02 0.00 0.00 176.95 178.17 1u18 s TYR 25 N 0.15 3.63 -0.40 -1.98 1.51 -0.17 -1.48 117.35 118.61 1u18 s TYR 25 Ca -0.02 0.63 -0.27 0.00 -1.01 0.00 0.00 57.07 56.40 1u18 s TYR 25 Cb -0.14 -2.02 0.02 0.00 -0.11 0.00 0.00 41.96 39.72 1u18 s TYR 25 CO 0.03 0.72 1.01 0.08 -1.11 0.00 0.00 175.55 176.28 1u18 s VAL 26 N -1.04 4.46 -0.12 0.71 1.01 -0.51 -1.42 120.40 123.48 1u18 s VAL 26 Ca 0.17 1.27 0.18 0.00 0.00 0.00 0.00 61.98 63.59 1u18 s VAL 26 Cb -0.13 -4.43 -0.20 0.00 0.00 0.00 0.00 36.38 31.61 1u18 s VAL 26 CO 0.06 -0.68 0.57 0.35 0.00 0.00 0.00 175.10 175.40 1u18 n THR 27 N 6.23 1.08 -3.70 3.92 -2.24 -0.40 -4.65 114.28 114.52 1u18 n THR 27 Ca 0.09 -0.71 -0.14 0.00 -2.27 0.00 0.00 64.05 61.02 1u18 n THR 27 Cb 0.48 -0.57 -0.08 0.00 -2.10 0.00 0.00 70.33 68.06 1u18 n THR 27 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1u18 s ASP 28 N -5.53 -0.37 0.06 3.42 1.01 -1.21 -1.75 116.67 112.30 1u18 s ASP 28 Ca -0.06 0.45 -0.07 0.00 0.71 0.00 0.00 52.55 53.58 1u18 s ASP 28 Cb 0.09 0.53 -0.01 0.00 1.01 0.00 0.00 42.92 44.54 1u18 s ASP 28 CO 0.83 -0.40 0.15 -0.72 0.21 0.00 0.00 175.17 175.24 1u18 s TYR 29 N -0.87 0.16 -0.28 4.23 1.13 -0.29 -1.29 117.35 120.14 1u18 s TYR 29 Ca -0.09 -0.50 -0.00 0.00 -1.41 0.00 0.00 57.07 55.07 1u18 s TYR 29 Cb -0.04 -0.10 0.09 0.00 -1.10 0.00 0.00 41.96 40.81 1u18 s TYR 29 CO 0.04 -0.44 0.05 -1.17 -2.51 0.00 0.00 175.55 171.52 1u18 s LEU 30 N -2.41 2.54 -0.36 -3.49 2.96 0.07 -0.28 118.68 117.72 1u18 s LEU 30 Ca -0.01 -1.51 -0.16 0.00 -0.22 0.00 0.00 54.13 52.24 1u18 s LEU 30 Cb 0.02 -1.01 -0.01 0.00 0.50 0.00 0.00 46.19 45.69 1u18 s LEU 30 CO -0.07 -0.36 0.37 -0.62 -1.32 0.00 0.00 176.35 174.36 1u18 s ASP 31 N 1.50 6.18 0.29 3.68 -1.08 -1.26 -0.88 116.67 125.10 1u18 s ASP 31 Ca 0.05 -0.31 0.26 0.00 -0.52 0.00 0.00 52.55 52.02 1u18 s ASP 31 Cb -0.18 -2.20 0.78 0.00 -1.46 0.00 0.00 42.92 39.86 1u18 s ASP 31 CO -0.16 -0.38 1.75 -0.07 0.52 0.00 0.00 175.17 176.82 1u18 h LEU 32 N 8.80 0.00 -5.86 -1.34 3.38 -1.69 -3.34 115.31 115.26 1u18 h LEU 32 Ca -0.29 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.11 1u18 h LEU 32 Cb 1.14 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.48 1u18 h LEU 32 CO 0.71 0.00 -0.82 1.21 0.09 0.00 0.00 178.44 179.63 1u18 n GLU 33 N -2.49 2.08 -1.62 1.13 4.07 -1.26 -4.97 120.64 117.58 1u18 n GLU 33 Ca 0.04 -4.20 -0.31 0.00 -0.06 0.00 0.00 57.16 52.63 1u18 n GLU 33 Cb 0.41 -1.94 0.05 0.00 -0.06 0.00 0.00 31.44 29.90 1u18 n GLU 33 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1u18 s PRO 34 N -2.49 2.94 0.87 5.31 0.04 -1.26 -4.96 135.00 135.45 1u18 s PRO 34 Ca 0.42 1.02 -0.11 0.00 0.04 0.00 0.00 61.00 62.37 1u18 s PRO 34 Cb 0.23 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.89 1u18 s PRO 34 CO -0.08 -1.10 1.10 -0.51 0.04 0.00 0.00 177.00 176.44 1u18 s ASP 35 N -3.57 3.61 0.31 6.66 1.01 -1.26 -4.96 116.67 118.47 1u18 s ASP 35 Ca 0.59 1.73 0.01 0.00 0.71 0.00 0.00 52.55 55.60 1u18 s ASP 35 Cb -0.15 -2.38 0.49 0.00 1.01 0.00 0.00 42.92 41.90 1u18 s ASP 35 CO 0.52 -2.59 1.86 0.44 0.21 0.00 0.00 175.17 175.61 1u18 h ASP 36 N -1.51 0.66 -3.80 0.27 3.32 -2.06 -2.96 116.42 110.34 1u18 h ASP 36 Ca -0.47 -0.11 -0.73 0.00 0.02 0.00 0.00 57.03 55.73 1u18 h ASP 36 Cb 1.26 -0.17 -0.31 0.00 0.22 0.00 0.00 39.33 40.33 1u18 h ASP 36 CO 0.51 0.67 -0.23 0.68 -1.72 0.00 0.00 179.24 179.15 1u18 s VAL 37 N -5.16 4.46 0.22 -1.35 -7.23 -1.26 -5.07 120.40 105.00 1u18 s VAL 37 Ca -0.09 -2.47 -0.31 0.00 -1.81 0.00 0.00 61.98 57.30 1u18 s VAL 37 Cb 0.16 -3.85 -0.15 0.00 0.56 0.00 0.00 36.38 33.09 1u18 s VAL 37 CO 0.78 -0.90 1.08 -2.65 -0.31 0.00 0.00 175.10 173.11 1u18 n PRO 38 N 4.04 1.19 -2.72 4.82 -0.02 -1.12 -4.92 135.00 136.27 1u18 n PRO 38 Ca 0.05 0.42 -0.43 0.00 -2.02 0.00 0.00 63.50 61.53 1u18 n PRO 38 Cb 0.41 -1.85 -0.03 0.00 -0.02 0.00 0.00 33.50 32.01 1u18 n PRO 38 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1u18 s LYS 39 N -0.83 3.41 -1.38 -0.52 3.01 -1.26 -4.96 119.74 117.21 1u18 s LYS 39 Ca 0.67 -0.04 -0.14 0.00 -1.01 0.00 0.00 55.97 55.45 1u18 s LYS 39 Cb -0.80 -4.04 0.08 0.00 -1.01 0.00 0.00 37.83 32.06 1u18 s LYS 39 CO 0.55 -1.59 2.01 0.54 0.51 0.00 0.00 175.35 177.38 1u18 n ARG 40 N 7.93 3.12 -2.95 1.68 5.12 -1.26 -4.96 116.66 125.33 1u18 n ARG 40 Ca 0.05 -3.01 -0.20 0.00 -1.93 0.00 0.00 57.85 52.76 1u18 n ARG 40 Cb 0.48 -3.23 0.06 0.00 -1.16 0.00 0.00 32.46 28.61 1u18 n ARG 40 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1u18 s TYR 41 N 2.65 1.76 0.01 -1.55 1.51 -1.26 -4.54 117.35 115.93 1u18 s TYR 41 Ca 0.46 -0.57 0.08 0.00 -1.01 0.00 0.00 57.07 56.03 1u18 s TYR 41 Cb 0.10 -2.37 -0.02 0.00 -0.11 0.00 0.00 41.96 39.56 1u18 s TYR 41 CO -0.03 -1.08 -0.24 0.00 -1.11 0.00 0.00 175.55 173.09 1u18 s ALA 43 N -0.66 0.24 0.18 0.00 0.00 -1.26 -0.49 121.76 119.77 1u18 s ALA 43 Ca 0.09 -0.65 -0.16 0.00 0.00 0.00 0.00 51.96 51.25 1u18 s ALA 43 Cb -0.09 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.18 1u18 s ALA 43 CO 0.00 -0.13 0.46 0.00 0.00 0.00 0.00 175.76 176.09 1u18 s ALA 44 N -1.51 -0.75 0.10 0.00 0.00 -0.45 -1.43 121.76 117.71 1u18 s ALA 44 Ca -0.14 -0.32 -0.19 0.00 0.00 0.00 0.00 51.96 51.31 1u18 s ALA 44 Cb -0.09 0.83 0.05 0.00 0.00 0.00 0.00 23.12 23.90 1u18 s ALA 44 CO -0.01 -0.75 0.46 -0.48 0.00 0.00 0.00 175.76 174.99 1u18 s LEU 45 N -2.88 0.13 -0.12 0.00 0.05 -0.55 -0.70 118.68 114.61 1u18 s LEU 45 Ca 0.10 -0.10 -0.01 0.00 0.05 0.00 0.00 54.13 54.17 1u18 s LEU 45 Cb 0.00 2.02 0.03 0.00 -2.05 0.00 0.00 46.19 46.19 1u18 s LEU 45 CO -0.04 -0.81 -0.07 0.00 -0.55 0.00 0.00 176.35 174.89 1u18 s ALA 46 N -3.27 1.29 -0.06 1.48 0.00 -0.35 -0.33 121.76 120.52 1u18 s ALA 46 Ca -0.01 -0.55 0.06 0.00 0.00 0.00 0.00 51.96 51.46 1u18 s ALA 46 Cb 0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 1u18 s ALA 46 CO -0.08 -0.47 -0.23 0.00 0.00 0.00 0.00 175.76 174.98 1u18 s ALA 47 N 1.72 2.26 0.00 0.00 0.00 -1.24 -1.43 121.76 123.08 1u18 s ALA 47 Ca 0.04 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1u18 s ALA 47 Cb -0.13 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.26 1u18 s ALA 47 CO -0.08 0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.53 1u18 n GLY 48 N 2.84 2.11 3.19 0.00 0.00 -0.60 -0.46 105.19 112.26 1u18 n GLY 48 Ca -0.17 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 1u18 n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u18 s THR 49 N -2.16 1.37 -0.03 2.61 -4.23 -1.26 -0.55 115.64 111.38 1u18 s THR 49 Ca 0.00 -1.04 -0.05 0.00 -1.18 0.00 0.00 61.69 59.42 1u18 s THR 49 Cb 0.00 -1.21 0.01 0.00 1.34 0.00 0.00 72.50 72.64 1u18 s THR 49 CO 0.00 0.14 0.12 0.00 -0.54 0.00 0.00 174.62 174.34 1u18 s ALA 50 N -0.76 -0.30 -1.53 3.99 0.00 0.10 -4.86 121.76 118.40 1u18 s ALA 50 Ca 0.05 0.22 -0.00 0.00 0.00 0.00 0.00 51.96 52.22 1u18 s ALA 50 Cb -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.91 1u18 s ALA 50 CO 0.01 -0.10 0.05 0.43 0.00 0.00 0.00 175.76 176.15 1u18 n SER 51 N 2.63 -5.25 -0.04 0.00 7.64 -1.26 -1.19 113.62 116.15 1u18 n SER 51 Ca -0.15 0.03 -0.00 0.00 1.01 0.00 0.00 58.87 59.75 1u18 n SER 51 Cb 0.58 -4.38 -0.00 0.00 -1.01 0.00 0.00 64.21 59.40 1u18 n SER 51 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u18 n GLY 52 N -0.98 0.39 3.29 0.23 0.00 -1.26 -5.02 105.19 101.83 1u18 n GLY 52 Ca -0.20 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1u18 n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u18 s LYS 53 N -0.73 1.93 0.29 1.61 1.02 -0.33 -5.11 119.74 118.42 1u18 s LYS 53 Ca 0.00 -0.90 -0.29 0.00 0.02 0.00 0.00 55.97 54.80 1u18 s LYS 53 Cb 0.00 -1.90 -0.10 0.00 -0.52 0.00 0.00 37.83 35.31 1u18 s LYS 53 CO 0.00 0.52 1.43 -0.51 -0.92 0.00 0.00 175.35 175.86 1u18 s LEU 54 N -0.66 4.38 0.05 3.17 1.43 -1.26 -0.72 118.68 125.07 1u18 s LEU 54 Ca 0.10 2.75 0.00 0.00 -1.03 0.00 0.00 54.13 55.95 1u18 s LEU 54 Cb -0.09 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 1u18 s LEU 54 CO -0.01 -0.70 -0.04 -0.54 0.23 0.00 0.00 176.35 175.29 1u18 s LYS 55 N -0.99 0.53 -0.02 1.70 1.02 0.28 0.31 119.74 122.58 1u18 s LYS 55 Ca 0.56 -0.95 -0.00 0.00 0.02 0.00 0.00 55.97 55.60 1u18 s LYS 55 Cb -0.42 0.02 0.02 0.00 -0.52 0.00 0.00 37.83 36.92 1u18 s LYS 55 CO 0.49 -0.05 0.03 -2.00 -0.92 0.00 0.00 175.35 172.90 1u18 s GLU 56 N -2.65 -0.01 -0.14 1.68 2.12 -0.41 -1.56 118.70 117.74 1u18 s GLU 56 Ca -0.03 0.12 -0.02 0.00 0.36 0.00 0.00 54.97 55.40 1u18 s GLU 56 Cb -0.02 -0.13 -0.02 0.00 0.26 0.00 0.00 34.13 34.21 1u18 s GLU 56 CO -0.04 -0.10 -0.07 0.00 -0.54 0.00 0.00 175.26 174.51 1u18 s ALA 57 N 0.62 2.88 0.01 6.30 0.00 -0.51 -0.73 121.76 130.32 1u18 s ALA 57 Ca -0.05 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.09 1u18 s ALA 57 Cb -0.07 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 1u18 s ALA 57 CO -0.02 0.28 -0.04 -0.51 0.00 0.00 0.00 175.76 175.46 1u18 s LEU 58 N 0.20 3.29 -0.02 0.00 2.01 0.31 -1.21 118.68 123.25 1u18 s LEU 58 Ca -0.04 -0.11 0.04 0.00 0.01 0.00 0.00 54.13 54.03 1u18 s LEU 58 Cb -0.14 -1.89 -0.01 0.00 0.01 0.00 0.00 46.19 44.16 1u18 s LEU 58 CO 0.04 0.27 -0.15 -0.47 1.01 0.00 0.00 176.35 177.05 1u18 s TYR 59 N -1.04 1.37 -0.03 0.29 5.04 0.12 -2.13 117.35 120.97 1u18 s TYR 59 Ca 0.18 -0.31 0.01 0.00 -2.44 0.00 0.00 57.07 54.51 1u18 s TYR 59 Cb -0.11 -0.91 0.02 0.00 0.35 0.00 0.00 41.96 41.31 1u18 s TYR 59 CO 0.09 -0.07 -0.03 0.00 -1.34 0.00 0.00 175.55 174.20 1u18 s TYR 61 N 0.83 1.86 -0.42 0.00 5.04 0.36 -1.02 117.35 123.99 1u18 s TYR 61 Ca -0.10 -0.49 -0.10 0.00 -2.44 0.00 0.00 57.07 53.94 1u18 s TYR 61 Cb -0.13 -1.23 0.08 0.00 0.35 0.00 0.00 41.96 41.03 1u18 s TYR 61 CO -0.00 -0.14 0.27 0.34 -1.34 0.00 0.00 175.55 174.67 1u18 s ASP 62 N -0.13 5.68 0.28 4.32 2.15 -0.16 -0.68 116.67 128.14 1u18 s ASP 62 Ca -0.01 -1.47 0.01 0.00 0.43 0.00 0.00 52.55 51.52 1u18 s ASP 62 Cb -0.11 -2.00 0.58 0.00 -0.30 0.00 0.00 42.92 41.09 1u18 s ASP 62 CO 0.02 -0.54 1.80 -0.65 -0.17 0.00 0.00 175.17 175.63 1u18 h PRO 63 N 8.44 0.82 0.42 4.34 0.11 -1.87 0.73 132.00 144.98 1u18 h PRO 63 Ca -0.23 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 1u18 h PRO 63 Cb 1.09 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1u18 h PRO 63 CO 0.76 0.54 -0.24 -0.22 -0.21 0.00 0.00 178.00 178.64 1u18 h LYS 64 N 0.84 -0.59 0.00 1.05 1.63 -1.92 -3.20 116.57 114.38 1u18 h LYS 64 Ca 0.50 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.34 1u18 h LYS 64 Cb 0.62 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 1u18 h LYS 64 CO -0.31 -0.39 -0.92 0.25 -3.45 0.00 0.00 179.45 174.62 1u18 n THR 65 N -5.37 0.20 -1.22 1.00 -2.24 -1.16 -4.95 114.28 100.54 1u18 n THR 65 Ca -0.11 -0.23 -0.08 0.00 -2.27 0.00 0.00 64.05 61.36 1u18 n THR 65 Cb 0.27 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 1u18 n THR 65 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u18 n GLN 66 N -1.97 -1.24 -2.17 -0.78 6.02 0.25 -5.00 117.38 112.50 1u18 n GLN 66 Ca 0.02 0.70 -0.36 0.00 -0.01 0.00 0.00 57.00 57.35 1u18 n GLN 66 Cb 0.43 -4.81 0.01 0.00 1.02 0.00 0.00 30.24 26.89 1u18 n GLN 66 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1u18 s ASP 67 N -2.42 5.70 0.04 1.08 1.01 -1.16 -4.77 116.67 116.14 1u18 s ASP 67 Ca 0.00 2.31 0.03 0.00 0.71 0.00 0.00 52.55 55.59 1u18 s ASP 67 Cb 0.00 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.31 1u18 s ASP 67 CO 0.00 -1.24 -0.09 0.42 0.21 0.00 0.00 175.17 174.47 1u18 s THR 68 N -1.63 0.63 0.06 -1.27 -4.23 -1.26 -0.99 115.64 106.95 1u18 s THR 68 Ca 0.71 -0.99 0.02 0.00 -1.18 0.00 0.00 61.69 60.25 1u18 s THR 68 Cb -0.28 -0.66 -0.03 0.00 1.34 0.00 0.00 72.50 72.88 1u18 s THR 68 CO 0.32 -0.27 -0.07 0.72 -0.54 0.00 0.00 174.62 174.78 1u18 s PHE 69 N -1.16 0.73 0.02 3.99 -0.71 -0.19 -4.99 117.98 115.67 1u18 s PHE 69 Ca -0.07 -0.63 0.05 0.00 -1.04 0.00 0.00 56.93 55.24 1u18 s PHE 69 Cb -0.09 -0.43 -0.02 0.00 -1.21 0.00 0.00 43.02 41.27 1u18 s PHE 69 CO 0.01 -0.11 -0.14 0.71 -1.34 0.00 0.00 175.22 174.35 1u18 s TYR 70 N -2.08 1.23 0.01 3.49 1.51 -1.25 -1.60 117.35 118.67 1u18 s TYR 70 Ca -0.03 -0.29 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1u18 s TYR 70 Cb -0.05 -0.76 -0.01 0.00 -0.11 0.00 0.00 41.96 41.03 1u18 s TYR 70 CO -0.01 0.01 -0.02 -0.51 -1.11 0.00 0.00 175.55 173.91 1u18 s ASP 71 N -0.74 0.17 -0.02 2.29 1.01 -0.91 -1.58 116.67 116.89 1u18 s ASP 71 Ca 0.03 -0.30 0.04 0.00 0.71 0.00 0.00 52.55 53.04 1u18 s ASP 71 Cb -0.07 0.06 -0.01 0.00 1.01 0.00 0.00 42.92 43.91 1u18 s ASP 71 CO 0.00 -0.17 -0.15 -0.69 0.21 0.00 0.00 175.17 174.38 1u18 s VAL 72 N -0.86 1.18 0.01 -1.27 1.01 -0.84 -0.53 120.40 119.10 1u18 s VAL 72 Ca -0.09 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1u18 s VAL 72 Cb -0.06 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 1u18 s VAL 72 CO -0.01 0.34 -0.06 -0.44 0.00 0.00 0.00 175.10 174.93 1u18 s SER 73 N -0.23 0.69 -0.05 3.32 0.01 0.09 -0.99 113.70 116.53 1u18 s SER 73 Ca 0.03 -0.24 -0.26 0.00 1.31 0.00 0.00 55.95 56.79 1u18 s SER 73 Cb -0.07 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.10 1u18 s SER 73 CO -0.00 -0.02 0.81 -1.61 0.41 0.00 0.00 173.24 172.83 1u18 s GLU 74 N -0.60 4.46 -0.07 12.44 2.02 -1.26 -1.29 118.70 134.41 1u18 s GLU 74 Ca -0.02 1.08 -0.09 0.00 0.02 0.00 0.00 54.97 55.96 1u18 s GLU 74 Cb -0.05 -3.46 -0.05 0.00 0.10 0.00 0.00 34.13 30.67 1u18 s GLU 74 CO -0.00 -0.02 0.24 -0.51 0.02 0.00 0.00 175.26 174.99 1u18 s LEU 75 N 1.02 4.42 -0.18 1.80 1.43 0.15 -3.80 118.68 123.51 1u18 s LEU 75 Ca 0.43 0.64 -0.05 0.00 -1.03 0.00 0.00 54.13 54.12 1u18 s LEU 75 Cb -0.19 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 1u18 s LEU 75 CO 0.21 0.37 -0.00 -1.10 0.23 0.00 0.00 176.35 176.05 1u18 s GLN 76 N -1.12 3.69 -0.34 1.70 -0.21 -0.65 -4.34 119.66 118.39 1u18 s GLN 76 Ca 0.19 -0.49 -0.26 0.00 0.02 0.00 0.00 55.36 54.82 1u18 s GLN 76 Cb -0.14 -3.04 0.01 0.00 1.00 0.00 0.00 33.01 30.84 1u18 s GLN 76 CO 0.08 0.14 0.93 -2.00 -2.12 0.00 0.00 175.29 172.32 1u18 s GLU 77 N 0.67 3.93 0.14 2.91 2.12 -1.26 -1.06 118.70 126.15 1u18 s GLU 77 Ca -0.00 0.70 -0.06 0.00 0.36 0.00 0.00 54.97 55.97 1u18 s GLU 77 Cb -0.14 -3.77 -0.06 0.00 0.26 0.00 0.00 34.13 30.42 1u18 s GLU 77 CO 0.02 -0.88 1.35 0.93 -0.54 0.00 0.00 175.26 176.14 1u18 h GLU 78 N 8.30 0.53 -1.55 4.30 4.39 -1.52 -3.49 114.58 125.54 1u18 h GLU 78 Ca -0.23 -0.47 0.26 0.00 0.34 0.00 0.00 59.36 59.26 1u18 h GLU 78 Cb 1.08 0.11 -0.17 0.00 -0.10 0.00 0.00 28.75 29.67 1u18 h GLU 78 CO 0.97 1.10 0.79 -1.54 -1.16 0.00 0.00 179.01 179.17 1u18 s SER 79 N -7.06 -0.13 -0.38 1.42 1.04 -1.18 -5.04 113.70 102.38 1u18 s SER 79 Ca -0.07 -0.04 -0.40 0.00 0.48 0.00 0.00 55.95 55.92 1u18 s SER 79 Cb 0.09 0.17 -0.16 0.00 0.10 0.00 0.00 66.02 66.23 1u18 s SER 79 CO 0.87 -0.29 1.97 -2.65 0.98 0.00 0.00 173.24 174.12 1u18 n PRO 80 N -0.20 0.74 -0.77 4.02 -0.02 -1.26 -0.63 135.00 136.88 1u18 n PRO 80 Ca -0.02 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1u18 n PRO 80 Cb 0.59 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 1u18 n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u18 n GLY 81 N 5.71 0.93 3.21 -1.23 0.00 -1.26 -4.77 105.19 107.78 1u18 n GLY 81 Ca 0.38 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.09 1u18 n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u18 s LYS 82 N -0.21 2.80 0.05 1.61 1.02 0.20 -1.31 119.74 123.89 1u18 s LYS 82 Ca 0.00 -0.83 -0.03 0.00 0.02 0.00 0.00 55.97 55.12 1u18 s LYS 82 Cb 0.00 -2.17 -0.03 0.00 -0.52 0.00 0.00 37.83 35.11 1u18 s LYS 82 CO 0.00 0.21 0.03 0.71 -0.92 0.00 0.00 175.35 175.38 1u18 s TYR 83 N 0.26 0.37 -0.13 3.18 1.51 -0.58 -1.23 117.35 120.73 1u18 s TYR 83 Ca -0.15 -0.83 0.02 0.00 -1.01 0.00 0.00 57.07 55.09 1u18 s TYR 83 Cb -0.17 -0.27 0.01 0.00 -0.11 0.00 0.00 41.96 41.43 1u18 s TYR 83 CO 0.07 -0.39 -0.19 0.99 -1.11 0.00 0.00 175.55 174.92 1u18 s THR 84 N -3.46 1.84 -0.20 -0.71 2.01 -0.22 -1.61 115.64 113.28 1u18 s THR 84 Ca 0.02 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.17 1u18 s THR 84 Cb 0.04 -1.65 0.00 0.00 0.01 0.00 0.00 72.50 70.90 1u18 s THR 84 CO -0.08 0.51 -0.11 0.00 -0.69 0.00 0.00 174.62 174.24 1u18 s ALA 85 N 0.97 2.61 -0.81 7.40 0.00 1.00 -1.63 121.76 131.29 1u18 s ALA 85 Ca -0.05 -1.19 -0.16 0.00 0.00 0.00 0.00 51.96 50.56 1u18 s ALA 85 Cb -0.15 -1.48 0.18 0.00 0.00 0.00 0.00 23.12 21.67 1u18 s ALA 85 CO -0.04 -0.39 0.85 -0.80 0.00 0.00 0.00 175.76 175.38 1u18 s ASN 86 N 1.40 6.63 0.48 0.00 -0.87 -1.25 -1.59 114.94 119.73 1u18 s ASN 86 Ca 0.05 -2.31 -0.13 0.00 -1.57 0.00 0.00 52.86 48.91 1u18 s ASN 86 Cb -0.14 -2.28 -0.07 0.00 -0.02 0.00 0.00 41.25 38.75 1u18 s ASN 86 CO -0.07 -0.79 0.89 0.72 -2.57 0.00 0.00 177.10 175.27 1u18 s PHE 87 N 1.27 3.48 -0.07 2.20 -0.12 -1.25 -4.33 117.98 119.16 1u18 s PHE 87 Ca 0.21 1.24 0.04 0.00 -0.05 0.00 0.00 56.93 58.37 1u18 s PHE 87 Cb -0.11 -2.62 -0.02 0.00 -0.63 0.00 0.00 43.02 39.64 1u18 s PHE 87 CO -0.07 -0.29 -0.20 -1.59 -0.05 0.00 0.00 175.22 173.02 1u18 s LYS 88 N -4.13 2.65 0.04 1.99 -2.85 -0.16 -4.21 119.74 113.08 1u18 s LYS 88 Ca 0.55 -0.81 -0.30 0.00 -1.00 0.00 0.00 55.97 54.40 1u18 s LYS 88 Cb -0.10 -2.29 -0.04 0.00 -2.06 0.00 0.00 37.83 33.33 1u18 s LYS 88 CO 0.34 0.43 1.02 0.21 0.10 0.00 0.00 175.35 177.46 1u18 s LYS 89 N -0.26 4.56 0.18 1.78 2.20 -0.59 -1.99 119.74 125.64 1u18 s LYS 89 Ca 0.00 1.51 -0.01 0.00 -0.36 0.00 0.00 55.97 57.11 1u18 s LYS 89 Cb -0.13 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 1u18 s LYS 89 CO 0.03 -0.03 0.12 0.14 -0.36 0.00 0.00 175.35 175.24 1u18 s VAL 90 N 0.75 0.02 0.74 4.02 -7.23 -0.62 0.15 120.40 118.24 1u18 s VAL 90 Ca 0.52 -1.97 -0.05 0.00 -1.81 0.00 0.00 61.98 58.67 1u18 s VAL 90 Cb -0.23 -2.39 0.11 0.00 0.56 0.00 0.00 36.38 34.43 1u18 s VAL 90 CO 0.29 -0.11 1.03 -1.61 -0.31 0.00 0.00 175.10 174.39 1u18 s GLU 91 N -4.13 1.71 0.45 4.82 0.41 -0.08 -3.74 118.70 118.13 1u18 s GLU 91 Ca 0.35 -0.75 0.19 0.00 -0.41 0.00 0.00 54.97 54.35 1u18 s GLU 91 Cb 0.07 -2.22 1.07 0.00 -1.78 0.00 0.00 34.13 31.27 1u18 s GLU 91 CO 0.10 -1.49 1.97 1.57 -0.49 0.00 0.00 175.26 176.91 1u18 h LYS 92 N -0.68 0.00 -0.01 1.61 2.10 -1.96 -1.91 116.57 115.72 1u18 h LYS 92 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1u18 h LYS 92 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1u18 h LYS 92 CO 0.46 0.22 -0.02 0.27 -2.00 0.00 0.00 179.45 178.38 1u18 n ASN 93 N -3.99 1.17 0.00 7.07 0.23 -1.26 -4.83 115.26 113.65 1u18 n ASN 93 Ca -0.02 -1.35 0.00 0.00 -0.53 0.00 0.00 54.58 52.68 1u18 n ASN 93 Cb 0.29 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 1u18 n ASN 93 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1u18 n GLY 94 N 1.16 1.58 3.68 4.83 0.00 -0.72 -5.05 105.19 110.67 1u18 n GLY 94 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1u18 n GLY 94 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u18 n ASN 95 N 0.00 4.12 -4.66 1.61 3.02 -1.26 -4.65 115.26 113.44 1u18 n ASN 95 Ca 0.00 0.96 -0.42 0.00 -0.03 0.00 0.00 54.58 55.09 1u18 n ASN 95 Cb 0.00 -1.55 -0.03 0.00 -0.61 0.00 0.00 39.78 37.60 1u18 n ASN 95 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1u18 s VAL 96 N 3.24 3.82 -0.20 2.41 1.01 -1.26 -0.90 120.40 128.52 1u18 s VAL 96 Ca 0.84 1.02 -0.12 0.00 0.00 0.00 0.00 61.98 63.71 1u18 s VAL 96 Cb -0.46 -3.66 -0.20 0.00 0.00 0.00 0.00 36.38 32.07 1u18 s VAL 96 CO 0.38 -0.08 0.10 0.29 0.00 0.00 0.00 175.10 175.79 1u18 n LYS 97 N 6.80 0.64 -3.75 2.72 5.02 0.12 -4.91 118.16 124.81 1u18 n LYS 97 Ca 0.16 0.36 -0.24 0.00 -2.02 0.00 0.00 58.31 56.57 1u18 n LYS 97 Cb 0.43 -1.66 -0.17 0.00 -0.02 0.00 0.00 35.03 33.61 1u18 n LYS 97 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1u18 s VAL 98 N -2.47 0.35 1.10 -0.18 1.01 -0.33 -4.97 120.40 114.91 1u18 s VAL 98 Ca -0.29 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 1u18 s VAL 98 Cb 0.08 -0.62 0.25 0.00 0.00 0.00 0.00 36.38 36.09 1u18 s VAL 98 CO 0.63 0.12 1.05 -1.81 0.00 0.00 0.00 175.10 175.09 1u18 s ASP 99 N 1.97 1.47 0.12 3.32 1.01 -1.26 -1.54 116.67 121.76 1u18 s ASP 99 Ca 0.04 1.61 -0.34 0.00 0.71 0.00 0.00 52.55 54.57 1u18 s ASP 99 Cb -0.14 -2.32 -0.13 0.00 1.01 0.00 0.00 42.92 41.35 1u18 s ASP 99 CO -0.06 -3.91 1.66 0.52 0.21 0.00 0.00 175.17 173.59 1u18 n VAL 100 N -4.73 0.13 -4.48 -1.27 0.31 -1.26 -4.78 118.33 102.25 1u18 n VAL 100 Ca 0.05 -0.02 -0.20 0.00 -0.01 0.00 0.00 64.34 64.15 1u18 n VAL 100 Cb 0.54 -1.67 -0.15 0.00 -0.91 0.00 0.00 33.84 31.65 1u18 n VAL 100 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1u18 s THR 101 N 1.61 0.87 0.34 2.52 2.01 -1.26 -5.07 115.64 116.65 1u18 s THR 101 Ca 0.81 -0.47 0.14 0.00 0.31 0.00 0.00 61.69 62.47 1u18 s THR 101 Cb -0.65 -0.73 0.34 0.00 0.01 0.00 0.00 72.50 71.47 1u18 s THR 101 CO 0.40 0.24 1.71 0.77 -0.69 0.00 0.00 174.62 177.05 1u18 h SER 102 N 5.86 0.57 -0.57 3.53 4.64 -1.99 -1.06 113.55 124.52 1u18 h SER 102 Ca -0.32 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1u18 h SER 102 Cb 1.17 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1u18 h SER 102 CO 0.49 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.07 1u18 n GLY 103 N -1.34 1.92 3.22 -0.77 0.00 -1.26 -4.82 105.19 102.14 1u18 n GLY 103 Ca 0.29 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 1u18 n GLY 103 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u18 s ASN 104 N -1.14 5.56 -0.00 1.61 -0.87 -0.40 -1.88 114.94 117.81 1u18 s ASN 104 Ca 0.42 -1.70 -0.28 0.00 -1.57 0.00 0.00 52.86 49.73 1u18 s ASN 104 Cb 0.23 -1.96 0.10 0.00 -0.02 0.00 0.00 41.25 39.60 1u18 s ASN 104 CO 0.30 -0.57 0.83 -0.72 -2.57 0.00 0.00 177.10 174.37 1u18 s TYR 105 N 1.35 -0.41 0.09 2.20 1.13 -0.21 -3.96 117.35 117.54 1u18 s TYR 105 Ca 0.04 0.38 0.07 0.00 -1.41 0.00 0.00 57.07 56.15 1u18 s TYR 105 Cb -0.24 0.52 -0.03 0.00 -1.10 0.00 0.00 41.96 41.11 1u18 s TYR 105 CO 0.00 -0.58 -0.18 1.52 -2.51 0.00 0.00 175.55 173.81 1u18 s TYR 106 N -2.76 1.51 0.13 -3.49 -0.85 -0.62 -0.24 117.35 111.03 1u18 s TYR 106 Ca 0.02 -0.44 0.06 0.00 -0.52 0.00 0.00 57.07 56.18 1u18 s TYR 106 Cb -0.01 -0.84 -0.04 0.00 0.38 0.00 0.00 41.96 41.45 1u18 s TYR 106 CO -0.06 0.14 0.02 0.95 -1.52 0.00 0.00 175.55 175.07 1u18 s THR 107 N -1.24 3.99 0.02 -3.49 -4.23 -0.64 -0.00 115.64 110.05 1u18 s THR 107 Ca 0.03 -1.13 -0.07 0.00 -1.18 0.00 0.00 61.69 59.34 1u18 s THR 107 Cb -0.10 -2.95 -0.00 0.00 1.34 0.00 0.00 72.50 70.79 1u18 s THR 107 CO 0.03 0.02 0.12 0.72 -0.54 0.00 0.00 174.62 174.98 1u18 s PHE 108 N -1.49 0.10 -0.08 3.99 -0.12 -0.64 -1.34 117.98 118.40 1u18 s PHE 108 Ca 0.27 -0.26 0.03 0.00 -0.05 0.00 0.00 56.93 56.92 1u18 s PHE 108 Cb -0.11 -0.08 0.01 0.00 -0.63 0.00 0.00 43.02 42.21 1u18 s PHE 108 CO 0.19 -0.32 -0.17 0.99 -0.05 0.00 0.00 175.22 175.87 1u18 s THR 109 N -1.82 1.47 -0.74 -4.49 2.01 -0.49 -1.52 115.64 110.06 1u18 s THR 109 Ca -0.11 -0.68 -0.21 0.00 0.31 0.00 0.00 61.69 61.00 1u18 s THR 109 Cb -0.05 -1.30 0.09 0.00 0.01 0.00 0.00 72.50 71.25 1u18 s THR 109 CO -0.01 0.43 0.99 -0.69 -0.69 0.00 0.00 174.62 174.65 1u18 s VAL 110 N 0.51 4.52 -0.01 3.82 1.01 -0.42 -1.15 120.40 128.68 1u18 s VAL 110 Ca -0.15 -0.85 0.13 0.00 0.00 0.00 0.00 61.98 61.11 1u18 s VAL 110 Cb -0.16 -4.70 -0.00 0.00 0.00 0.00 0.00 36.38 31.52 1u18 s VAL 110 CO 0.05 -1.44 1.45 0.24 0.00 0.00 0.00 175.10 175.41 1u18 h MET 111 N 9.28 0.00 -1.99 2.72 2.86 -1.47 -0.39 114.93 125.94 1u18 h MET 111 Ca -0.14 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 1u18 h MET 111 Cb 1.06 0.00 -0.20 0.00 0.06 0.00 0.00 31.60 32.51 1u18 h MET 111 CO 1.15 0.62 0.17 -0.47 1.06 0.00 0.00 176.91 179.44 1u18 s TYR 112 N -3.03 -0.72 -0.15 -0.22 5.04 -1.13 -3.64 117.35 113.51 1u18 s TYR 112 Ca 0.02 1.54 -0.29 0.00 -2.44 0.00 0.00 57.07 55.90 1u18 s TYR 112 Cb 0.09 0.34 0.09 0.00 0.35 0.00 0.00 41.96 42.82 1u18 s TYR 112 CO 0.76 -0.48 0.79 0.00 -1.34 0.00 0.00 175.55 175.28 1u18 s ALA 113 N -0.35 -1.83 0.00 3.97 0.00 -1.26 -1.68 121.76 120.61 1u18 s ALA 113 Ca -0.05 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1u18 s ALA 113 Cb -0.03 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1u18 s ALA 113 CO 0.05 -0.34 0.00 -0.40 0.00 0.00 0.00 175.76 175.07 1u18 n ASP 114 N 1.41 0.20 0.07 0.00 5.68 -0.68 -4.95 116.55 118.28 1u18 n ASP 114 Ca -0.15 0.00 -0.00 0.00 -0.50 0.00 0.00 54.79 54.13 1u18 n ASP 114 Cb 0.57 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.84 1u18 n ASP 114 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1u18 h ASP 115 N 0.00 0.33 0.00 -1.12 3.45 -2.02 -3.32 116.42 113.74 1u18 h ASP 115 Ca 0.00 -0.09 -0.03 0.00 0.43 0.00 0.00 57.03 57.34 1u18 h ASP 115 Cb 0.00 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 38.68 1u18 h ASP 115 CO 0.00 0.55 -1.83 -1.20 -1.57 0.00 0.00 179.24 175.19 1u18 n SER 116 N -4.18 1.04 -3.88 6.45 7.64 -1.26 -4.86 113.62 114.56 1u18 n SER 116 Ca -0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 1u18 n SER 116 Cb 0.34 1.69 -0.07 0.00 -1.01 0.00 0.00 64.21 65.16 1u18 n SER 116 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1u18 s SER 117 N -4.10 0.15 0.22 6.43 1.04 -1.25 -1.00 113.70 115.18 1u18 s SER 117 Ca -0.07 -0.69 -0.20 0.00 0.48 0.00 0.00 55.95 55.47 1u18 s SER 117 Cb 0.10 0.33 0.03 0.00 0.10 0.00 0.00 66.02 66.59 1u18 s SER 117 CO 0.71 -0.73 0.61 0.00 0.98 0.00 0.00 173.24 174.82 1u18 s ALA 118 N -3.87 -1.18 -0.04 5.32 0.00 -0.78 -1.69 121.76 119.51 1u18 s ALA 118 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1u18 s ALA 118 Cb 0.05 0.87 0.02 0.00 0.00 0.00 0.00 23.12 24.06 1u18 s ALA 118 CO -0.10 -0.88 -0.02 -1.17 0.00 0.00 0.00 175.76 173.58 1u18 s LEU 119 N -2.86 1.14 0.12 0.00 2.96 -0.67 -0.06 118.68 119.30 1u18 s LEU 119 Ca 0.08 -0.09 0.04 0.00 -0.22 0.00 0.00 54.13 53.94 1u18 s LEU 119 Cb -0.03 -0.38 -0.04 0.00 0.50 0.00 0.00 46.19 46.24 1u18 s LEU 119 CO -0.02 -0.09 -0.10 0.27 -1.32 0.00 0.00 176.35 175.09 1u18 s ILE 120 N 1.14 1.02 -0.04 6.68 -4.36 -0.47 -1.67 121.20 123.50 1u18 s ILE 120 Ca -0.08 -1.81 0.01 0.00 -0.26 0.00 0.00 60.65 58.51 1u18 s ILE 120 Cb -0.14 -1.56 -0.03 0.00 1.25 0.00 0.00 42.46 41.98 1u18 s ILE 120 CO -0.01 -0.64 -0.02 -2.28 0.24 0.00 0.00 174.94 172.23 1u18 s HIS 121 N -2.82 3.05 0.10 1.37 5.65 -0.30 -1.35 115.29 120.99 1u18 s HIS 121 Ca 0.10 0.09 0.07 0.00 0.25 0.00 0.00 55.06 55.57 1u18 s HIS 121 Cb -0.00 -1.70 -0.03 0.00 -1.18 0.00 0.00 32.58 29.66 1u18 s HIS 121 CO -0.00 0.43 -0.18 0.99 -0.65 0.00 0.00 174.74 175.33 1u18 s THR 122 N -0.97 1.48 -0.14 0.89 2.01 0.86 -1.39 115.64 118.38 1u18 s THR 122 Ca 0.16 -1.50 -0.04 0.00 0.31 0.00 0.00 61.69 60.62 1u18 s THR 122 Cb -0.11 -1.41 0.05 0.00 0.01 0.00 0.00 72.50 71.04 1u18 s THR 122 CO 0.06 -0.17 0.07 0.00 -0.69 0.00 0.00 174.62 173.89 1u18 s LEU 124 N 2.10 4.21 -0.14 0.00 2.96 -1.24 -1.62 118.68 124.94 1u18 s LEU 124 Ca 0.02 0.57 0.01 0.00 -0.22 0.00 0.00 54.13 54.52 1u18 s LEU 124 Cb -0.15 -2.51 0.00 0.00 0.50 0.00 0.00 46.19 44.04 1u18 s LEU 124 CO -0.07 -0.01 -0.18 -2.28 -1.32 0.00 0.00 176.35 172.49 1u18 s HIS 125 N 0.91 2.72 -0.02 5.38 2.46 0.67 -0.23 115.29 127.19 1u18 s HIS 125 Ca 0.20 -1.16 0.00 0.00 0.47 0.00 0.00 55.06 54.57 1u18 s HIS 125 Cb -0.14 -1.85 0.02 0.00 -0.13 0.00 0.00 32.58 30.48 1u18 s HIS 125 CO 0.07 -0.52 0.00 0.21 -2.47 0.00 0.00 174.74 172.03 1u18 s LYS 126 N 0.77 0.20 -1.47 2.88 2.20 -1.11 -1.05 119.74 122.16 1u18 s LYS 126 Ca -0.07 0.08 -0.16 0.00 -0.36 0.00 0.00 55.97 55.47 1u18 s LYS 126 Cb -0.16 -0.38 0.14 0.00 -1.51 0.00 0.00 37.83 35.93 1u18 s LYS 126 CO -0.00 -0.12 0.59 0.41 -0.36 0.00 0.00 175.35 175.87 1u18 n GLY 127 N 3.98 -0.45 2.50 5.54 0.00 -1.21 -1.57 105.19 113.99 1u18 n GLY 127 Ca -0.25 0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 1u18 n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u18 n ASN 128 N -2.40 -4.91 -4.33 1.61 5.03 -0.79 -5.01 115.26 104.47 1u18 n ASN 128 Ca 0.06 0.31 -0.33 0.00 0.87 0.00 0.00 54.58 55.49 1u18 n ASN 128 Cb 0.49 -3.50 -0.15 0.00 -1.02 0.00 0.00 39.78 35.60 1u18 n ASN 128 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 1u18 s LYS 129 N -2.95 3.30 -0.01 3.52 -2.85 -0.61 -5.08 119.74 115.06 1u18 s LYS 129 Ca 0.00 -0.73 -0.33 0.00 -1.00 0.00 0.00 55.97 53.91 1u18 s LYS 129 Cb 0.00 -2.57 -0.11 0.00 -2.06 0.00 0.00 37.83 33.08 1u18 s LYS 129 CO 0.00 0.18 1.87 -0.25 0.10 0.00 0.00 175.35 177.25 1u18 n ASP 130 N 3.61 3.66 -0.94 0.03 9.92 -1.26 -2.75 116.55 128.82 1u18 n ASP 130 Ca -0.18 0.97 0.11 0.00 -0.53 0.00 0.00 54.79 55.15 1u18 n ASP 130 Cb 0.53 -1.43 0.27 0.00 -0.64 0.00 0.00 41.12 39.84 1u18 n ASP 130 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1u18 n LEU 131 N 6.48 2.79 0.00 0.64 4.32 0.68 -4.34 117.00 127.57 1u18 n LEU 131 Ca 0.21 -1.22 0.00 0.00 -0.02 0.00 0.00 56.01 54.98 1u18 n LEU 131 Cb 0.33 -0.22 0.00 0.00 -1.62 0.00 0.00 43.42 41.91 1u18 n LEU 131 CO 0.70 0.61 0.00 0.61 -1.22 0.00 0.00 177.39 178.09 1u18 n GLY 132 N 1.36 0.41 3.76 -0.72 0.00 -1.26 -4.76 105.19 103.99 1u18 n GLY 132 Ca 0.18 -1.80 -0.40 0.00 0.00 0.00 0.00 46.02 44.00 1u18 n GLY 132 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u18 s ASP 133 N -1.51 7.23 -0.04 1.61 1.01 -1.26 -3.71 116.67 119.99 1u18 s ASP 133 Ca 0.00 2.24 -0.02 0.00 0.71 0.00 0.00 52.55 55.48 1u18 s ASP 133 Cb 0.00 -2.62 0.03 0.00 1.01 0.00 0.00 42.92 41.34 1u18 s ASP 133 CO 0.00 -0.17 0.05 -0.22 0.21 0.00 0.00 175.17 175.05 1u18 s LEU 134 N -1.55 0.22 -0.11 1.23 0.20 -0.59 -1.68 118.68 116.39 1u18 s LEU 134 Ca 0.46 0.06 -0.08 0.00 0.69 0.00 0.00 54.13 55.26 1u18 s LEU 134 Cb -0.31 -0.16 -0.04 0.00 -0.43 0.00 0.00 46.19 45.25 1u18 s LEU 134 CO 0.40 -0.24 0.16 -0.31 -0.29 0.00 0.00 176.35 176.07 1u18 s TYR 135 N 2.10 3.60 -0.05 5.38 2.02 -0.06 -0.10 117.35 130.25 1u18 s TYR 135 Ca 0.04 0.56 0.02 0.00 -0.37 0.00 0.00 57.07 57.33 1u18 s TYR 135 Cb -0.12 -1.98 0.01 0.00 -0.40 0.00 0.00 41.96 39.47 1u18 s TYR 135 CO -0.03 0.71 -0.10 0.00 -1.57 0.00 0.00 175.55 174.56 1u18 s ALA 136 N -0.96 1.06 -0.21 3.71 0.00 -0.46 -0.75 121.76 124.15 1u18 s ALA 136 Ca 0.15 -0.34 -0.17 0.00 0.00 0.00 0.00 51.96 51.61 1u18 s ALA 136 Cb -0.12 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 1u18 s ALA 136 CO 0.05 0.11 0.46 0.08 0.00 0.00 0.00 175.76 176.46 1u18 s VAL 137 N 0.55 5.14 0.21 0.00 1.01 -0.41 -1.37 120.40 125.52 1u18 s VAL 137 Ca -0.10 0.84 0.08 0.00 0.00 0.00 0.00 61.98 62.79 1u18 s VAL 137 Cb -0.13 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1u18 s VAL 137 CO 0.02 0.20 0.02 -0.76 0.00 0.00 0.00 175.10 174.58 1u18 s LEU 138 N 1.55 3.34 -0.07 3.92 1.43 0.91 -1.28 118.68 128.48 1u18 s LEU 138 Ca 0.22 -0.44 -0.13 0.00 -1.03 0.00 0.00 54.13 52.74 1u18 s LEU 138 Cb -0.15 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.15 1u18 s LEU 138 CO 0.09 0.05 0.32 0.21 0.23 0.00 0.00 176.35 177.25 1u18 s ASN 139 N -3.23 -0.26 0.56 2.29 3.84 -0.50 -1.86 114.94 115.78 1u18 s ASN 139 Ca 0.29 0.37 0.37 0.00 0.21 0.00 0.00 52.86 54.10 1u18 s ASN 139 Cb -0.08 0.49 1.77 0.00 -0.55 0.00 0.00 41.25 42.88 1u18 s ASN 139 CO 0.20 -0.28 2.10 0.03 -2.79 0.00 0.00 177.10 176.36 1u18 h ARG 140 N 4.73 0.00 -5.06 0.43 2.47 -1.30 -0.44 114.38 115.22 1u18 h ARG 140 Ca -0.28 0.00 -0.63 0.00 -1.26 0.00 0.00 59.98 57.81 1u18 h ARG 140 Cb 1.18 0.00 -0.33 0.00 -1.65 0.00 0.00 29.97 29.17 1u18 h ARG 140 CO 0.35 0.00 -0.86 1.21 0.56 0.00 0.00 179.97 181.23 1u18 s ASN 141 N -5.24 2.68 0.48 7.04 3.84 -1.26 -4.83 114.94 117.65 1u18 s ASN 141 Ca -0.01 -0.48 0.26 0.00 0.21 0.00 0.00 52.86 52.83 1u18 s ASN 141 Cb 0.10 -1.23 1.20 0.00 -0.55 0.00 0.00 41.25 40.77 1u18 s ASN 141 CO 0.45 0.10 1.95 0.07 -2.79 0.00 0.00 177.10 176.89 1u18 h LYS 142 N 6.92 0.00 -0.74 0.43 2.10 -1.95 -2.87 116.57 120.46 1u18 h LYS 142 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 1u18 h LYS 142 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1u18 h LYS 142 CO 0.48 0.18 0.00 -0.25 -2.00 0.00 0.00 179.45 177.86 1u18 n ASP 143 N -3.51 4.09 -4.74 7.07 8.00 -1.26 -4.95 116.55 121.25 1u18 n ASP 143 Ca -0.01 -2.05 -0.39 0.00 0.71 0.00 0.00 54.79 53.05 1u18 n ASP 143 Cb 0.33 -0.51 -0.05 0.00 -0.02 0.00 0.00 41.12 40.87 1u18 n ASP 143 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1u18 s THR 144 N -1.10 5.02 0.48 -3.53 2.01 -1.09 -5.07 115.64 112.37 1u18 s THR 144 Ca 0.50 1.26 -0.16 0.00 0.31 0.00 0.00 61.69 63.60 1u18 s THR 144 Cb 0.27 -3.95 -0.08 0.00 0.01 0.00 0.00 72.50 68.75 1u18 s THR 144 CO 0.33 0.34 0.94 0.20 -0.69 0.00 0.00 174.62 175.74 1u18 s ASN 145 N 0.36 6.64 0.12 3.53 0.01 -1.26 -4.96 114.94 119.37 1u18 s ASN 145 Ca 0.32 1.51 -0.32 0.00 -0.71 0.00 0.00 52.86 53.66 1u18 s ASN 145 Cb -0.17 -2.48 -0.12 0.00 0.41 0.00 0.00 41.25 38.89 1u18 s ASN 145 CO 0.16 -0.53 1.77 0.00 -1.51 0.00 0.00 177.10 177.00 1u18 n ALA 146 N -1.41 1.92 -1.96 0.60 0.00 -1.26 -4.96 120.51 113.44 1u18 n ALA 146 Ca 0.06 0.35 -0.24 0.00 0.00 0.00 0.00 53.44 53.61 1u18 n ALA 146 Cb 0.54 -2.52 0.09 0.00 0.00 0.00 0.00 19.45 17.56 1u18 n ALA 146 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1u18 s GLY 147 N 2.30 1.76 0.52 0.00 0.00 -1.26 -4.86 107.32 105.77 1u18 s GLY 147 Ca 0.82 -1.35 0.16 0.00 0.00 0.00 0.00 44.72 44.35 1u18 s GLY 147 CO 0.39 -0.87 2.14 -0.55 0.00 0.00 0.00 173.10 174.20 1u18 h ASP 148 N -0.54 0.01 -0.16 1.64 3.32 -1.99 -2.03 116.42 116.69 1u18 h ASP 148 Ca -0.41 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.59 1u18 h ASP 148 Cb 1.28 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.83 1u18 h ASP 148 CO 0.48 0.01 -0.11 0.11 -1.72 0.00 0.00 179.24 178.01 1u18 h LYS 149 N 0.02 0.35 -0.11 3.56 1.57 -1.99 -1.09 116.57 118.88 1u18 h LYS 149 Ca 0.02 -0.17 -0.15 0.00 -1.87 0.00 0.00 60.65 58.48 1u18 h LYS 149 Cb 0.06 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1u18 h LYS 149 CO -0.00 0.70 -0.59 -0.39 -0.57 0.00 0.00 179.45 178.59 1u18 h VAL 150 N 0.00 1.36 -0.34 0.50 -1.51 -1.91 -2.21 116.25 112.14 1u18 h VAL 150 Ca 0.03 -1.93 -0.06 0.00 -1.23 0.00 0.00 66.70 63.52 1u18 h VAL 150 Cb 0.61 1.93 -0.02 0.00 -2.13 0.00 0.00 31.29 31.69 1u18 h VAL 150 CO 0.03 0.58 -0.05 0.11 -1.23 0.00 0.00 177.57 177.01 1u18 h LYS 151 N 0.26 0.54 -0.76 5.19 1.57 -1.37 -0.13 116.57 121.88 1u18 h LYS 151 Ca -0.00 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 1u18 h LYS 151 Cb 1.11 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.32 1u18 h LYS 151 CO 0.10 0.60 0.29 0.78 -0.57 0.00 0.00 179.45 180.65 1u18 h GLY 152 N 0.88 1.22 1.01 3.86 0.00 -1.00 -1.11 103.07 107.92 1u18 h GLY 152 Ca 0.10 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 1u18 h GLY 152 CO 0.02 0.62 0.35 0.00 0.00 0.00 0.00 176.54 177.53 1u18 h ALA 153 N 1.21 0.88 -0.10 3.60 0.00 -0.76 0.68 119.26 124.78 1u18 h ALA 153 Ca 0.25 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1u18 h ALA 153 Cb 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1u18 h ALA 153 CO -0.02 0.43 0.03 0.28 0.00 0.00 0.00 179.25 179.96 1u18 h VAL 154 N 0.95 0.97 -0.91 0.00 2.07 -0.69 -2.11 116.25 116.53 1u18 h VAL 154 Ca 0.24 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.79 1u18 h VAL 154 Cb 0.08 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 1u18 h VAL 154 CO -0.03 0.01 0.57 0.74 0.02 0.00 0.00 177.57 178.88 1u18 h THR 155 N 0.07 1.07 0.00 2.57 2.02 -1.03 -2.16 112.91 115.45 1u18 h THR 155 Ca 0.04 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 1u18 h THR 155 Cb 0.03 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.36 1u18 h THR 155 CO -0.05 0.19 -0.14 0.00 0.37 0.00 0.00 175.52 175.89 1u18 h ALA 156 N 1.41 1.27 -0.57 6.16 0.00 -0.42 -0.40 119.26 126.71 1u18 h ALA 156 Ca 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1u18 h ALA 156 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1u18 h ALA 156 CO -0.17 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1u18 n ALA 157 N -2.28 2.46 -2.66 0.00 0.00 -0.83 -4.94 120.51 112.26 1u18 n ALA 157 Ca -0.02 -1.03 -0.14 0.00 0.00 0.00 0.00 53.44 52.26 1u18 n ALA 157 Cb 0.26 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 18.77 1u18 n ALA 157 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1u18 n SER 158 N 1.15 -4.41 -4.77 0.00 7.64 -0.16 -5.01 113.62 108.06 1u18 n SER 158 Ca 0.19 -0.15 -0.22 0.00 1.01 0.00 0.00 58.87 59.70 1u18 n SER 158 Cb 0.51 -3.33 -0.05 0.00 -1.01 0.00 0.00 64.21 60.32 1u18 n SER 158 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1u18 s LEU 159 N -4.32 3.42 -0.18 -3.43 1.02 -0.85 -5.04 118.68 109.30 1u18 s LEU 159 Ca 0.16 -0.61 -0.03 0.00 0.02 0.00 0.00 54.13 53.67 1u18 s LEU 159 Cb -0.07 -1.95 -0.02 0.00 0.02 0.00 0.00 46.19 44.17 1u18 s LEU 159 CO 0.20 -0.24 -0.05 -0.54 0.02 0.00 0.00 176.35 175.74 1u18 s LYS 160 N -3.86 3.51 0.39 1.70 1.02 -1.26 -4.12 119.74 117.12 1u18 s LYS 160 Ca 0.37 -0.59 0.08 0.00 0.02 0.00 0.00 55.97 55.85 1u18 s LYS 160 Cb -0.05 -2.92 0.80 0.00 -0.52 0.00 0.00 37.83 35.14 1u18 s LYS 160 CO 0.24 0.05 1.98 0.35 -0.92 0.00 0.00 175.35 177.05 1u18 h PHE 161 N 7.32 0.42 -0.09 3.18 3.57 -1.93 -2.09 116.94 127.33 1u18 h PHE 161 Ca -0.34 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.17 1u18 h PHE 161 Cb 1.18 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.79 1u18 h PHE 161 CO 0.56 0.37 0.12 0.66 -2.23 0.00 0.00 178.31 177.79 1u18 h SER 162 N 0.42 0.00 1.27 0.41 4.64 -2.03 -0.69 113.55 117.57 1u18 h SER 162 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1u18 h SER 162 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1u18 h SER 162 CO -0.01 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.39 1u18 h ASP 163 N 0.00 0.00 -4.17 4.97 3.32 -1.80 -3.46 116.42 115.28 1u18 h ASP 163 Ca 0.04 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.60 1u18 h ASP 163 Cb 0.29 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.90 1u18 h ASP 163 CO -0.00 0.00 0.38 -0.36 -1.72 0.00 0.00 179.24 177.54 1u18 s PHE 164 N -3.20 2.94 -0.10 4.55 0.40 -0.27 -4.84 117.98 117.46 1u18 s PHE 164 Ca 0.08 1.52 -0.01 0.00 -0.60 0.00 0.00 56.93 57.92 1u18 s PHE 164 Cb 0.11 -3.05 -0.03 0.00 0.51 0.00 0.00 43.02 40.56 1u18 s PHE 164 CO 0.54 -1.16 -0.04 0.42 0.70 0.00 0.00 175.22 175.68 1u18 s ILE 165 N -2.34 3.93 0.35 0.64 1.09 0.62 -4.87 121.20 120.61 1u18 s ILE 165 Ca 0.65 -0.38 -0.15 0.00 -1.10 0.00 0.00 60.65 59.67 1u18 s ILE 165 Cb -0.17 -2.65 -0.09 0.00 -1.06 0.00 0.00 42.46 38.49 1u18 s ILE 165 CO 0.35 0.57 0.77 -0.55 -0.10 0.00 0.00 174.94 175.98 1u18 s SER 166 N -0.48 6.77 0.00 3.58 0.15 -1.26 -1.14 113.70 121.32 1u18 s SER 166 Ca 0.08 1.33 0.19 0.00 0.70 0.00 0.00 55.95 58.24 1u18 s SER 166 Cb -0.12 -2.39 0.31 0.00 -1.71 0.00 0.00 66.02 62.11 1u18 s SER 166 CO 0.02 -0.26 1.25 0.35 1.20 0.00 0.00 173.24 175.81 1u18 n THR 167 N -0.53 0.43 0.07 6.45 -2.24 -0.72 -4.72 114.28 113.02 1u18 n THR 167 Ca 0.04 -0.71 -0.07 0.00 -2.27 0.00 0.00 64.05 61.04 1u18 n THR 167 Cb 0.53 1.02 0.09 0.00 -2.10 0.00 0.00 70.33 69.87 1u18 n THR 167 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1u18 h LYS 168 N 3.66 0.30 -0.64 -0.78 3.64 -1.94 -3.20 116.57 117.63 1u18 h LYS 168 Ca 0.00 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1u18 h LYS 168 Cb 0.84 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1u18 h LYS 168 CO 0.00 0.84 0.00 -3.47 -2.27 0.00 0.00 179.45 174.55 1u18 n ASP 169 N -3.86 4.55 -1.06 4.20 2.03 -1.26 -4.58 116.55 116.56 1u18 n ASP 169 Ca -0.03 -2.51 0.12 0.00 0.52 0.00 0.00 54.79 52.89 1u18 n ASP 169 Cb 0.64 -0.58 0.17 0.00 -0.72 0.00 0.00 41.12 40.64 1u18 n ASP 169 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1u18 n ASN 170 N 0.89 3.23 -2.79 1.67 5.15 -1.21 -4.94 115.26 117.26 1u18 n ASN 170 Ca 0.24 -1.99 -0.17 0.00 -0.60 0.00 0.00 54.58 52.05 1u18 n ASN 170 Cb 0.88 -0.14 0.06 0.00 -0.53 0.00 0.00 39.78 40.06 1u18 n ASN 170 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1u18 n LYS 171 N 1.41 -5.86 -2.25 1.20 5.02 -1.26 -4.80 118.16 111.63 1u18 n LYS 171 Ca 0.17 0.61 -0.40 0.00 -2.02 0.00 0.00 58.31 56.68 1u18 n LYS 171 Cb 0.60 -5.00 -0.02 0.00 -0.02 0.00 0.00 35.03 30.58 1u18 n LYS 171 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u18 s GLU 173 N -1.92 0.97 0.14 0.00 0.41 -1.26 -5.16 118.70 111.88 1u18 s GLU 173 Ca 0.51 -0.88 0.08 0.00 -0.41 0.00 0.00 54.97 54.27 1u18 s GLU 173 Cb -0.35 -1.03 -0.04 0.00 -1.78 0.00 0.00 34.13 30.94 1u18 s GLU 173 CO 0.45 0.25 -0.18 0.71 -0.49 0.00 0.00 175.26 175.99 1u18 s TYR 174 N -1.01 1.75 -0.58 1.61 2.02 -1.26 -4.83 117.35 115.04 1u18 s TYR 174 Ca 0.02 -0.46 0.06 0.00 -0.37 0.00 0.00 57.07 56.31 1u18 s TYR 174 Cb -0.09 -0.91 0.22 0.00 -0.40 0.00 0.00 41.96 40.79 1u18 s TYR 174 CO 0.02 0.26 0.60 -3.47 -1.57 0.00 0.00 175.55 171.39 1u18 n ASP 175 N 0.60 2.43 0.11 2.29 2.03 -1.26 -4.94 116.55 117.81 1u18 n ASP 175 Ca -0.16 -3.13 -0.01 0.00 0.52 0.00 0.00 54.79 52.01 1u18 n ASP 175 Cb 0.56 -0.67 0.24 0.00 -0.72 0.00 0.00 41.12 40.52 1u18 n ASP 175 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1u18 h ASN 176 N 4.58 0.20 0.06 1.67 -0.26 -1.99 -2.47 115.58 117.37 1u18 h ASN 176 Ca 0.17 -0.08 0.01 0.00 -0.56 0.00 0.00 56.30 55.84 1u18 h ASN 176 Cb 0.75 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.94 1u18 h ASN 176 CO 0.69 0.60 -0.10 0.58 -1.06 0.00 0.00 177.43 178.14 1u18 h VAL 177 N 0.16 0.76 -0.33 2.81 2.07 -2.00 -1.19 116.25 118.53 1u18 h VAL 177 Ca 0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 1u18 h VAL 177 Cb 0.82 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1u18 h VAL 177 CO 0.06 0.00 0.06 0.28 0.02 0.00 0.00 177.57 177.99 1u18 h SER 178 N -0.20 0.44 -0.35 0.57 0.02 -1.86 -2.20 113.55 109.97 1u18 h SER 178 Ca 0.02 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1u18 h SER 178 Cb 0.22 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1u18 h SER 178 CO -0.06 0.47 0.19 0.25 -1.14 0.00 0.00 176.83 176.54 1u18 h LEU 179 N 0.47 0.43 -0.15 5.07 5.85 -0.93 -2.06 115.31 124.01 1u18 h LEU 179 Ca 0.11 -0.08 -0.20 0.00 0.84 0.00 0.00 57.88 58.55 1u18 h LEU 179 Cb 0.22 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1u18 h LEU 179 CO -0.00 0.39 -0.94 0.11 -0.34 0.00 0.00 178.44 177.66 1u18 h LYS 180 N 0.44 0.04 -0.34 1.25 1.57 -1.01 -3.03 116.57 115.49 1u18 h LYS 180 Ca 0.12 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1u18 h LYS 180 Cb 0.05 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1u18 h LYS 180 CO -0.02 0.95 -0.00 0.77 -0.57 0.00 0.00 179.45 180.58 1u18 h SER 181 N 0.02 0.50 0.18 0.86 0.02 -1.35 -2.91 113.55 110.86 1u18 h SER 181 Ca -0.02 -0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 60.70 1u18 h SER 181 Cb 1.64 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 64.04 1u18 h SER 181 CO 0.13 0.57 -0.50 -0.07 -1.14 0.00 0.00 176.83 175.82 1u18 h LEU 182 N 0.51 0.40 0.18 5.07 3.38 -1.25 -2.43 115.31 121.16 1u18 h LEU 182 Ca 0.11 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1u18 h LEU 182 Cb 0.33 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1u18 h LEU 182 CO 0.01 0.83 -0.09 0.25 0.09 0.00 0.00 178.44 179.53 1u18 h LEU 183 N 0.29 -0.21 -0.12 1.67 5.85 -1.48 -3.36 115.31 117.96 1u18 h LEU 183 Ca 0.01 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.37 1u18 h LEU 183 Cb 0.98 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1u18 h LEU 183 CO 0.08 0.17 -0.32 0.71 -0.34 0.00 0.00 178.44 178.75 1u18 h THR 184 N -0.62 1.38 0.00 1.05 1.35 -1.54 -3.44 112.91 111.09 1u18 h THR 184 Ca -0.03 -1.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.21 1u18 h THR 184 Cb 0.46 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1u18 h THR 184 CO 0.04 0.48 0.00 2.29 -0.25 0.00 0.00 175.52 178.08