#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f65 s LEU 2 N 0.00 4.50 0.07 2.46 1.43 -1.26 -1.49 118.68 124.38 3f65 s LEU 2 Ca 0.00 1.39 -0.03 0.00 -1.03 0.00 0.00 54.13 54.46 3f65 s LEU 2 Cb 0.00 -3.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.09 3f65 s LEU 2 CO 0.00 0.15 0.04 0.00 0.23 0.00 0.00 176.35 176.77 3f65 s ALA 3 N -0.63 0.31 0.35 4.21 0.00 -0.60 -4.95 121.76 120.45 3f65 s ALA 3 Ca 0.34 -1.05 0.08 0.00 0.00 0.00 0.00 51.96 51.33 3f65 s ALA 3 Cb -0.20 0.36 -0.05 0.00 0.00 0.00 0.00 23.12 23.22 3f65 s ALA 3 CO 0.22 -0.42 0.08 0.14 0.00 0.00 0.00 175.76 175.78 3f65 s VAL 4 N -3.91 2.71 0.15 0.00 -7.23 -1.26 -0.33 120.40 110.53 3f65 s VAL 4 Ca 0.07 -1.84 0.28 0.00 -1.81 0.00 0.00 61.98 58.68 3f65 s VAL 4 Cb 0.07 -2.89 0.30 0.00 0.56 0.00 0.00 36.38 34.43 3f65 s VAL 4 CO -0.10 -0.17 1.92 -2.24 -0.31 0.00 0.00 175.10 174.20 3f65 h ASP 5 N 1.67 0.00 -3.29 4.85 -0.00 -1.97 -3.46 116.42 114.21 3f65 h ASP 5 Ca -0.43 0.00 -0.22 0.00 -0.00 0.00 0.00 57.03 56.38 3f65 h ASP 5 Cb 1.25 0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 40.52 3f65 h ASP 5 CO 0.66 0.12 -0.21 0.00 -0.00 0.00 0.00 179.24 179.82 3f65 n GLN 6 N -3.29 0.21 -0.00 4.15 10.64 -1.26 -5.07 117.38 122.76 3f65 n GLN 6 Ca 0.00 -1.57 0.09 0.00 -1.83 0.00 0.00 57.00 53.70 3f65 n GLN 6 Cb 0.36 1.31 -0.13 0.00 -0.86 0.00 0.00 30.24 30.92 3f65 n GLN 6 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 3f65 n THR 7 N -0.30 0.00 -3.52 -0.39 -2.24 -1.26 -4.96 114.28 101.61 3f65 n THR 7 Ca 0.03 -0.20 -0.15 0.00 -2.27 0.00 0.00 64.05 61.46 3f65 n THR 7 Cb 0.29 0.63 -0.05 0.00 -2.10 0.00 0.00 70.33 69.10 3f65 n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f65 s ARG 8 N -3.04 1.10 0.06 -0.78 1.70 -1.26 -4.17 118.95 112.56 3f65 s ARG 8 Ca 0.02 -0.09 0.07 0.00 -0.47 0.00 0.00 55.73 55.25 3f65 s ARG 8 Cb 0.14 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 35.00 3f65 s ARG 8 CO 0.81 -0.40 -0.19 0.71 -1.08 0.00 0.00 175.30 175.15 3f65 s TYR 9 N -2.24 1.62 -0.22 5.89 1.51 -0.46 -5.01 117.35 118.44 3f65 s TYR 9 Ca -0.06 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.56 3f65 s TYR 9 Cb -0.01 -0.93 -0.01 0.00 -0.11 0.00 0.00 41.96 40.90 3f65 s TYR 9 CO 0.00 0.11 -0.02 0.42 -1.11 0.00 0.00 175.55 174.95 3f65 s ILE 10 N -0.98 3.59 -0.42 2.71 -1.09 -1.26 -0.79 121.20 122.96 3f65 s ILE 10 Ca 0.05 -0.43 -0.23 0.00 -2.23 0.00 0.00 60.65 57.81 3f65 s ILE 10 Cb -0.09 -2.63 0.02 0.00 -1.58 0.00 0.00 42.46 38.18 3f65 s ILE 10 CO 0.02 0.42 0.79 0.12 -1.23 0.00 0.00 174.94 175.06 3f65 s PHE 11 N 1.36 3.03 -0.22 3.97 2.19 0.35 -4.96 117.98 123.70 3f65 s PHE 11 Ca 0.04 0.29 -0.29 0.00 0.33 0.00 0.00 56.93 57.31 3f65 s PHE 11 Cb -0.14 -3.58 0.01 0.00 -1.31 0.00 0.00 43.02 37.99 3f65 s PHE 11 CO -0.01 -0.91 1.03 1.03 1.83 0.00 0.00 175.22 178.19 3f65 s ARG 12 N 3.24 4.26 0.11 10.12 3.00 -1.26 -0.31 118.95 138.11 3f65 s ARG 12 Ca 0.30 1.34 0.07 0.00 0.00 0.00 0.00 55.73 57.44 3f65 s ARG 12 Cb -0.12 -3.64 0.40 0.00 0.00 0.00 0.00 34.95 31.59 3f65 s ARG 12 CO 0.21 -0.61 1.21 0.41 0.00 0.00 0.00 175.30 176.52 3f65 n GLY 13 N 3.33 -0.61 0.81 -3.53 0.00 0.86 -0.71 105.19 105.34 3f65 n GLY 13 Ca 0.11 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.31 3f65 n GLY 13 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f65 n ASP 14 N -1.75 2.44 -4.75 1.61 5.68 -1.26 -4.45 116.55 114.07 3f65 n ASP 14 Ca -0.00 -1.84 -0.28 0.00 -0.50 0.00 0.00 54.79 52.17 3f65 n ASP 14 Cb 0.03 -0.15 -0.06 0.00 -1.14 0.00 0.00 41.12 39.79 3f65 n ASP 14 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3f65 s GLU 15 N -1.69 2.74 0.16 0.11 0.41 0.11 -5.02 118.70 115.52 3f65 s GLU 15 Ca 0.35 -0.88 0.06 0.00 -0.41 0.00 0.00 54.97 54.08 3f65 s GLU 15 Cb 0.20 -2.58 -0.03 0.00 -1.78 0.00 0.00 34.13 29.93 3f65 s GLU 15 CO 0.29 0.50 1.37 -0.44 -0.49 0.00 0.00 175.26 176.49 3f65 h ASP 16 N 2.77 0.09 -5.18 -0.19 3.32 -1.92 -3.48 116.42 111.83 3f65 h ASP 16 Ca -0.47 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.43 3f65 h ASP 16 Cb 1.19 -0.03 -0.11 0.00 0.22 0.00 0.00 39.33 40.60 3f65 h ASP 16 CO 0.62 0.94 -0.14 0.00 -1.72 0.00 0.00 179.24 178.94 3f65 s ALA 17 N -3.04 -0.43 -0.16 3.45 0.00 -1.26 -4.51 121.76 115.81 3f65 s ALA 17 Ca -0.01 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.36 3f65 s ALA 17 Cb 0.10 0.88 0.02 0.00 0.00 0.00 0.00 23.12 24.12 3f65 s ALA 17 CO 0.81 -0.74 -0.19 -1.17 0.00 0.00 0.00 175.76 174.47 3f65 s LEU 18 N -2.93 2.03 -0.14 0.00 1.98 -0.50 -4.90 118.68 114.22 3f65 s LEU 18 Ca 0.14 -0.60 -0.10 0.00 -2.89 0.00 0.00 54.13 50.69 3f65 s LEU 18 Cb 0.01 -1.40 -0.05 0.00 0.66 0.00 0.00 46.19 45.41 3f65 s LEU 18 CO 0.00 0.01 0.19 -0.89 -1.89 0.00 0.00 176.35 173.77 3f65 s THR 19 N 1.19 5.40 0.00 3.68 2.01 -1.26 -1.52 115.64 125.13 3f65 s THR 19 Ca 0.01 0.32 0.02 0.00 0.31 0.00 0.00 61.69 62.36 3f65 s THR 19 Cb -0.14 -3.49 -0.01 0.00 0.01 0.00 0.00 72.50 68.88 3f65 s THR 19 CO -0.09 0.53 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.66 3f65 s ILE 20 N -0.41 0.59 -0.22 1.82 1.01 -0.28 -4.97 121.20 118.74 3f65 s ILE 20 Ca 0.14 -0.41 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 3f65 s ILE 20 Cb -0.12 -0.52 -0.02 0.00 0.01 0.00 0.00 42.46 41.81 3f65 s ILE 20 CO 0.03 0.11 -0.01 -0.89 0.00 0.00 0.00 174.94 174.18 3f65 s THR 21 N -0.30 3.72 -0.10 2.92 2.01 -1.26 0.54 115.64 123.16 3f65 s THR 21 Ca 0.02 -0.38 -0.03 0.00 0.31 0.00 0.00 61.69 61.61 3f65 s THR 21 Cb -0.04 -2.70 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 3f65 s THR 21 CO -0.00 0.40 0.02 0.54 -0.69 0.00 0.00 174.62 174.89 3f65 s VAL 22 N 1.43 4.44 0.04 3.82 0.11 0.12 -3.20 120.40 127.15 3f65 s VAL 22 Ca 0.05 -0.19 0.08 0.00 -2.93 0.00 0.00 61.98 58.98 3f65 s VAL 22 Cb -0.15 -2.89 -0.02 0.00 -1.53 0.00 0.00 36.38 31.79 3f65 s VAL 22 CO -0.00 0.59 -0.22 0.42 -3.33 0.00 0.00 175.10 172.55 3f65 s THR 23 N -0.72 1.77 -0.49 5.04 -4.23 0.55 -0.46 115.64 117.10 3f65 s THR 23 Ca 0.12 -1.21 -0.22 0.00 -1.18 0.00 0.00 61.69 59.20 3f65 s THR 23 Cb -0.12 -1.52 0.04 0.00 1.34 0.00 0.00 72.50 72.24 3f65 s THR 23 CO 0.02 0.27 0.75 0.21 -0.54 0.00 0.00 174.62 175.34 3f65 s ASN 24 N -1.11 6.33 0.00 3.99 2.47 -0.24 -1.56 114.94 124.82 3f65 s ASN 24 Ca 0.08 -0.41 0.30 0.00 0.42 0.00 0.00 52.86 53.26 3f65 s ASN 24 Cb -0.09 -2.36 1.81 0.00 -1.45 0.00 0.00 41.25 39.16 3f65 s ASN 24 CO 0.02 -0.96 2.15 -0.46 -3.72 0.00 0.00 177.10 174.13 3f65 n ASN 25 N 6.67 0.00 -4.72 -4.21 0.23 -0.56 -1.61 115.26 111.06 3f65 n ASN 25 Ca -0.01 -1.02 -0.41 0.00 -0.53 0.00 0.00 54.58 52.61 3f65 n ASN 25 Cb 0.47 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.13 3f65 n ASN 25 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3f65 s ASP 26 N -1.96 7.30 0.00 0.53 -1.08 -1.26 -4.75 116.67 115.45 3f65 s ASP 26 Ca 0.45 1.57 0.26 0.00 -0.52 0.00 0.00 52.55 54.31 3f65 s ASP 26 Cb 0.21 -2.53 0.66 0.00 -1.46 0.00 0.00 42.92 39.80 3f65 s ASP 26 CO 0.35 -0.15 1.51 0.29 0.52 0.00 0.00 175.17 177.68 3f65 n LYS 27 N 3.49 0.64 0.00 4.34 5.02 -1.26 -1.65 118.16 128.74 3f65 n LYS 27 Ca 0.03 -0.38 0.00 0.00 -2.02 0.00 0.00 58.31 55.93 3f65 n LYS 27 Cb 0.51 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 3f65 n LYS 27 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3f65 n GLU 28 N -0.85 0.92 -3.49 1.97 1.02 -1.26 -4.78 120.64 114.16 3f65 n GLU 28 Ca 0.10 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.87 3f65 n GLU 28 Cb 0.35 -0.89 -0.06 0.00 -0.02 0.00 0.00 31.44 30.81 3f65 n GLU 28 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3f65 s ARG 29 N -1.78 4.08 0.05 3.49 0.52 -1.26 -4.74 118.95 119.30 3f65 s ARG 29 Ca 0.00 0.30 -0.30 0.00 -0.52 0.00 0.00 55.73 55.21 3f65 s ARG 29 Cb 0.00 -3.32 -0.05 0.00 0.52 0.00 0.00 34.95 32.10 3f65 s ARG 29 CO 0.00 0.45 1.06 0.99 0.02 0.00 0.00 175.30 177.82 3f65 s THR 30 N -0.27 4.47 -0.06 0.02 2.01 -1.26 -3.64 115.64 116.91 3f65 s THR 30 Ca 0.22 1.83 0.00 0.00 0.31 0.00 0.00 61.69 64.04 3f65 s THR 30 Cb -0.15 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 3f65 s THR 30 CO 0.10 0.17 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.80 3f65 s PHE 31 N 0.81 3.03 0.60 4.92 0.40 -0.56 -3.94 117.98 123.23 3f65 s PHE 31 Ca 0.53 0.09 -0.12 0.00 -0.60 0.00 0.00 56.93 56.83 3f65 s PHE 31 Cb -0.25 -1.73 -0.05 0.00 0.51 0.00 0.00 43.02 41.51 3f65 s PHE 31 CO 0.29 0.40 1.02 0.20 0.70 0.00 0.00 175.22 177.83 3f65 s GLY 32 N -0.95 1.77 -0.06 4.36 0.00 0.45 -0.33 107.32 112.56 3f65 s GLY 32 Ca 0.14 -0.00 -0.08 0.00 0.00 0.00 0.00 44.72 44.78 3f65 s GLY 32 CO 0.03 0.27 0.20 -0.32 0.00 0.00 0.00 173.10 173.28 3f65 s GLY 33 N -3.85 -0.11 -0.01 0.20 0.00 0.23 -0.78 107.32 103.00 3f65 s GLY 33 Ca 0.56 0.42 0.02 0.00 0.00 0.00 0.00 44.72 45.73 3f65 s GLY 33 CO 0.48 0.32 -0.08 1.62 0.00 0.00 0.00 173.10 175.44 3f65 s GLN 34 N -0.26 0.73 -0.00 2.90 0.74 -0.33 -1.00 119.66 122.44 3f65 s GLN 34 Ca -0.04 -0.29 0.01 0.00 0.05 0.00 0.00 55.36 55.09 3f65 s GLN 34 Cb -0.03 -0.71 -0.00 0.00 1.10 0.00 0.00 33.01 33.37 3f65 s GLN 34 CO 0.01 0.15 -0.02 0.00 -0.55 0.00 0.00 175.29 174.88 3f65 s ALA 35 N -0.07 0.18 0.16 1.58 0.00 -0.29 -0.26 121.76 123.05 3f65 s ALA 35 Ca 0.01 -0.11 -0.23 0.00 0.00 0.00 0.00 51.96 51.63 3f65 s ALA 35 Cb -0.05 -0.04 0.07 0.00 0.00 0.00 0.00 23.12 23.10 3f65 s ALA 35 CO -0.00 0.04 0.64 1.67 0.00 0.00 0.00 175.76 178.10 3f65 s TRP 36 N -0.09 -0.48 -0.12 0.00 -2.14 -0.91 -4.65 118.94 110.54 3f65 s TRP 36 Ca 0.00 0.25 0.02 0.00 2.66 0.00 0.00 56.10 59.03 3f65 s TRP 36 Cb -0.01 0.58 -0.01 0.00 -3.10 0.00 0.00 33.47 30.93 3f65 s TRP 36 CO -0.00 -0.87 -0.18 0.08 -2.66 0.00 0.00 176.95 173.32 3f65 s VAL 37 N -3.72 2.64 -0.10 -0.66 1.01 -1.26 -0.64 120.40 117.67 3f65 s VAL 37 Ca 0.02 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 3f65 s VAL 37 Cb -0.02 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 3f65 s VAL 37 CO -0.10 0.54 0.15 -1.81 0.00 0.00 0.00 175.10 173.87 3f65 s ASP 38 N 0.34 6.39 0.55 3.32 1.01 0.27 -4.74 116.67 123.80 3f65 s ASP 38 Ca -0.14 0.45 -0.20 0.00 0.71 0.00 0.00 52.55 53.37 3f65 s ASP 38 Cb -0.17 -2.06 -0.05 0.00 1.01 0.00 0.00 42.92 41.65 3f65 s ASP 38 CO 0.07 0.38 1.18 0.20 0.21 0.00 0.00 175.17 177.21 3f65 s ASN 39 N -1.20 5.58 -0.02 0.27 0.02 -1.26 -1.88 114.94 116.45 3f65 s ASN 39 Ca 0.17 2.32 -0.01 0.00 -1.02 0.00 0.00 52.86 54.32 3f65 s ASN 39 Cb -0.12 -2.60 -0.01 0.00 0.02 0.00 0.00 41.25 38.54 3f65 s ASN 39 CO 0.07 -1.32 -0.03 -0.38 0.02 0.00 0.00 177.10 175.45 3f65 n ILE 40 N -1.24 0.19 0.01 0.60 5.41 -1.26 -4.83 119.36 118.25 3f65 n ILE 40 Ca 0.11 -0.01 -0.22 0.00 1.00 0.00 0.00 62.75 63.64 3f65 n ILE 40 Cb 0.50 -1.54 -0.14 0.00 -0.71 0.00 0.00 39.64 37.75 3f65 n ILE 40 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3f65 h VAL 41 N -0.08 0.98 -3.61 1.39 2.07 -1.94 -3.46 116.25 111.59 3f65 h VAL 41 Ca -0.06 -2.40 -0.52 0.00 0.82 0.00 0.00 66.70 64.54 3f65 h VAL 41 Cb 1.00 2.69 0.02 0.00 -1.52 0.00 0.00 31.29 33.48 3f65 h VAL 41 CO -0.03 0.73 0.55 -1.83 0.02 0.00 0.00 177.57 177.01 3f65 s GLU 42 N -2.49 4.51 0.33 1.57 1.03 -1.26 -4.93 118.70 117.46 3f65 s GLU 42 Ca -0.20 1.91 0.19 0.00 0.03 0.00 0.00 54.97 56.90 3f65 s GLU 42 Cb 0.05 -3.20 0.17 0.00 -0.80 0.00 0.00 34.13 30.35 3f65 s GLU 42 CO 0.77 -0.03 1.45 1.57 -1.33 0.00 0.00 175.26 177.69 3f65 h LYS 43 N 4.66 0.00 -7.13 -4.83 2.10 -1.97 -3.46 116.57 105.93 3f65 h LYS 43 Ca -0.46 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 57.64 3f65 h LYS 43 Cb 1.21 0.00 0.16 0.00 -0.90 0.00 0.00 32.23 32.71 3f65 h LYS 43 CO 0.72 0.21 0.47 0.34 -2.00 0.00 0.00 179.45 179.19 3f65 s ASP 44 N -6.20 4.35 0.18 7.07 2.15 -1.26 -4.95 116.67 118.01 3f65 s ASP 44 Ca 0.05 2.56 0.20 0.00 0.43 0.00 0.00 52.55 55.79 3f65 s ASP 44 Cb 0.07 -2.61 -0.01 0.00 -0.30 0.00 0.00 42.92 40.06 3f65 s ASP 44 CO 0.72 -2.17 1.04 0.71 -0.17 0.00 0.00 175.17 175.30 3f65 h THR 45 N 0.18 0.21 -1.23 1.71 1.35 -2.02 -3.47 112.91 109.64 3f65 h THR 45 Ca -0.50 -1.39 -0.82 0.00 -0.55 0.00 0.00 66.41 63.16 3f65 h THR 45 Cb 1.33 1.76 0.01 0.00 -1.73 0.00 0.00 68.15 69.52 3f65 h THR 45 CO 0.51 0.12 0.76 -1.14 -0.25 0.00 0.00 175.52 175.52 3f65 n ARG 46 N -2.81 0.49 -1.82 4.72 0.63 -1.26 -4.84 116.66 111.77 3f65 n ARG 46 Ca -0.03 0.18 -0.42 0.00 -0.92 0.00 0.00 57.85 56.66 3f65 n ARG 46 Cb 0.65 -1.76 -0.03 0.00 0.45 0.00 0.00 32.46 31.77 3f65 n ARG 46 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3f65 s PRO 47 N 3.12 4.16 0.08 -0.14 0.02 -1.26 -4.88 135.00 136.10 3f65 s PRO 47 Ca 1.02 2.50 0.19 0.00 0.02 0.00 0.00 61.00 64.72 3f65 s PRO 47 Cb -1.31 -3.15 -0.12 0.00 0.02 0.00 0.00 34.50 29.94 3f65 s PRO 47 CO 0.74 -0.70 0.82 0.25 -0.33 0.00 0.00 177.00 177.78 3f65 n THR 48 N 4.05 0.98 -5.06 0.99 -2.24 -1.26 -4.63 114.28 107.11 3f65 n THR 48 Ca 0.15 -0.65 -0.32 0.00 -2.27 0.00 0.00 64.05 60.96 3f65 n THR 48 Cb 0.37 -0.58 -0.14 0.00 -2.10 0.00 0.00 70.33 67.87 3f65 n THR 48 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3f65 s PHE 49 N -3.05 2.52 -0.05 4.78 0.40 -1.26 0.52 117.98 121.84 3f65 s PHE 49 Ca -0.03 -0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.02 3f65 s PHE 49 Cb 0.09 -1.56 -0.03 0.00 0.51 0.00 0.00 43.02 42.03 3f65 s PHE 49 CO 0.81 0.09 -0.07 0.08 0.70 0.00 0.00 175.22 176.83 3f65 s VAL 50 N -0.69 3.66 -0.10 -0.44 1.01 0.40 -4.50 120.40 119.73 3f65 s VAL 50 Ca 0.11 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.53 3f65 s VAL 50 Cb -0.10 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 3f65 s VAL 50 CO 0.00 0.54 -0.14 -0.69 0.00 0.00 0.00 175.10 174.81 3f65 s VAL 51 N -0.86 3.00 -0.03 2.92 1.01 -1.26 -1.10 120.40 124.08 3f65 s VAL 51 Ca 0.14 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 3f65 s VAL 51 Cb -0.11 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 34.08 3f65 s VAL 51 CO 0.03 0.55 0.03 0.28 0.00 0.00 0.00 175.10 175.99 3f65 s THR 52 N -0.05 -0.02 0.59 3.92 -1.32 -0.36 -3.13 115.64 115.26 3f65 s THR 52 Ca -0.03 0.25 -0.17 0.00 -1.21 0.00 0.00 61.69 60.54 3f65 s THR 52 Cb -0.14 -0.14 -0.03 0.00 -1.51 0.00 0.00 72.50 70.68 3f65 s THR 52 CO 0.04 0.13 1.08 -2.16 -2.21 0.00 0.00 174.62 171.50 3f65 s PRO 53 N 1.38 3.22 0.00 7.08 0.05 -1.26 -0.46 135.00 145.00 3f65 s PRO 53 Ca -0.05 1.34 0.22 0.00 0.05 0.00 0.00 61.00 62.56 3f65 s PRO 53 Cb -0.13 -2.01 -0.15 0.00 0.05 0.00 0.00 34.50 32.26 3f65 s PRO 53 CO -0.03 -0.91 0.96 -1.13 0.05 0.00 0.00 177.00 175.94 3f65 n SER 54 N -1.92 1.20 -3.68 6.66 3.41 -1.18 -4.75 113.62 113.35 3f65 n SER 54 Ca 0.10 -1.08 -0.10 0.00 -0.26 0.00 0.00 58.87 57.52 3f65 n SER 54 Cb 0.52 0.86 -0.11 0.00 -0.26 0.00 0.00 64.21 65.22 3f65 n SER 54 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3f65 s PHE 55 N -2.89 -0.60 0.18 7.33 5.99 -1.26 -1.14 117.98 125.59 3f65 s PHE 55 Ca 0.10 1.25 -0.24 0.00 0.00 0.00 0.00 56.93 58.05 3f65 s PHE 55 Cb 0.17 0.21 0.06 0.00 0.00 0.00 0.00 43.02 43.45 3f65 s PHE 55 CO 0.80 -0.38 0.92 -0.59 -0.00 0.00 0.00 175.22 175.97 3f65 s PHE 56 N 1.93 -0.13 0.05 10.12 -0.12 -0.17 -5.00 117.98 124.66 3f65 s PHE 56 Ca -0.05 -0.21 0.05 0.00 -0.05 0.00 0.00 56.93 56.67 3f65 s PHE 56 Cb -0.10 0.66 -0.02 0.00 -0.63 0.00 0.00 43.02 42.92 3f65 s PHE 56 CO -0.12 -0.91 -0.15 -1.59 -0.05 0.00 0.00 175.22 172.40 3f65 s LYS 57 N -3.35 0.93 -0.09 1.99 0.00 -1.26 0.75 119.74 118.70 3f65 s LYS 57 Ca 0.12 -0.85 0.01 0.00 0.00 0.00 0.00 55.97 55.26 3f65 s LYS 57 Cb -0.02 -0.95 0.02 0.00 0.00 0.00 0.00 37.83 36.87 3f65 s LYS 57 CO 0.03 0.23 -0.10 0.08 0.00 0.00 0.00 175.35 175.59 3f65 s VAL 58 N -0.99 1.11 0.88 1.79 1.01 0.55 -4.97 120.40 119.77 3f65 s VAL 58 Ca 0.01 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 3f65 s VAL 58 Cb -0.09 -1.06 0.12 0.00 0.00 0.00 0.00 36.38 35.36 3f65 s VAL 58 CO 0.02 0.37 1.13 -0.54 0.00 0.00 0.00 175.10 176.07 3f65 s LYS 59 N 1.17 1.32 0.27 2.72 3.01 -1.26 -1.50 119.74 125.47 3f65 s LYS 59 Ca -0.05 1.44 -0.30 0.00 -1.01 0.00 0.00 55.97 56.05 3f65 s LYS 59 Cb -0.14 -1.77 -0.13 0.00 -1.01 0.00 0.00 37.83 34.78 3f65 s LYS 59 CO -0.02 -2.38 1.36 -2.30 0.51 0.00 0.00 175.35 172.52 3f65 n PRO 60 N -4.06 2.05 0.00 -1.68 -0.02 -1.24 -0.44 135.00 129.62 3f65 n PRO 60 Ca 0.11 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3f65 n PRO 60 Cb 0.52 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3f65 n PRO 60 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3f65 n ASN 61 N 1.74 0.00 -4.67 2.55 3.02 -0.64 -4.93 115.26 112.33 3f65 n ASN 61 Ca 0.10 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.35 3f65 n ASN 61 Cb 0.33 -0.60 0.16 0.00 -0.61 0.00 0.00 39.78 39.06 3f65 n ASN 61 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3f65 s GLY 62 N -1.82 1.63 0.00 7.41 0.00 0.42 -4.69 107.32 110.28 3f65 s GLY 62 Ca 0.00 0.11 0.04 0.00 0.00 0.00 0.00 44.72 44.88 3f65 s GLY 62 CO 0.00 0.62 -0.14 1.20 0.00 0.00 0.00 173.10 174.78 3f65 s GLN 63 N -4.77 1.06 -0.07 2.90 -0.21 -1.26 -1.08 119.66 116.23 3f65 s GLN 63 Ca 0.65 -0.57 0.01 0.00 0.02 0.00 0.00 55.36 55.46 3f65 s GLN 63 Cb -0.20 -1.04 0.02 0.00 1.00 0.00 0.00 33.01 32.79 3f65 s GLN 63 CO 0.59 0.28 -0.07 -1.14 -2.12 0.00 0.00 175.29 172.82 3f65 s GLN 64 N -0.57 1.23 0.02 2.91 2.00 0.39 -4.99 119.66 120.65 3f65 s GLN 64 Ca 0.04 -0.21 -0.18 0.00 -2.00 0.00 0.00 55.36 53.02 3f65 s GLN 64 Cb -0.06 -1.21 -0.06 0.00 0.80 0.00 0.00 33.01 32.48 3f65 s GLN 64 CO 0.00 -0.12 0.50 0.95 -0.50 0.00 0.00 175.29 176.12 3f65 s THR 65 N 1.17 4.90 -0.12 -0.34 -4.23 -1.26 -0.71 115.64 115.05 3f65 s THR 65 Ca -0.06 1.06 -0.02 0.00 -1.18 0.00 0.00 61.69 61.48 3f65 s THR 65 Cb -0.14 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.84 3f65 s THR 65 CO -0.02 0.53 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.80 3f65 s LEU 66 N -0.86 3.29 -0.29 4.79 1.43 0.19 -4.53 118.68 122.69 3f65 s LEU 66 Ca 0.27 -0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.24 3f65 s LEU 66 Cb -0.18 -1.77 -0.00 0.00 0.03 0.00 0.00 46.19 44.27 3f65 s LEU 66 CO 0.16 0.25 0.09 -0.60 0.23 0.00 0.00 176.35 176.48 3f65 s ARG 67 N -0.12 3.28 -0.21 1.70 3.52 0.39 -1.13 118.95 126.38 3f65 s ARG 67 Ca 0.02 -0.74 -0.06 0.00 -0.13 0.00 0.00 55.73 54.82 3f65 s ARG 67 Cb -0.13 -3.40 -0.03 0.00 -1.56 0.00 0.00 34.95 29.83 3f65 s ARG 67 CO 0.02 -0.38 0.04 0.42 -0.81 0.00 0.00 175.30 174.60 3f65 s ILE 68 N 1.55 4.31 0.13 4.11 1.01 -0.58 -1.23 121.20 130.51 3f65 s ILE 68 Ca 0.04 -0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.58 3f65 s ILE 68 Cb -0.17 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 3f65 s ILE 68 CO 0.03 0.40 -0.17 0.27 0.00 0.00 0.00 174.94 175.48 3f65 s ILE 69 N 1.05 1.58 -0.11 2.92 -5.25 -0.26 -1.41 121.20 119.73 3f65 s ILE 69 Ca 0.03 -1.76 -0.30 0.00 -0.99 0.00 0.00 60.65 57.64 3f65 s ILE 69 Cb -0.14 -1.65 -0.02 0.00 2.95 0.00 0.00 42.46 43.61 3f65 s ILE 69 CO 0.03 -0.31 1.11 -0.32 -1.79 0.00 0.00 174.94 173.66 3f65 s MET 70 N -2.57 4.36 -0.07 0.37 -2.45 -1.26 -0.46 119.30 117.22 3f65 s MET 70 Ca 0.11 1.53 0.18 0.00 -1.25 0.00 0.00 55.69 56.26 3f65 s MET 70 Cb -0.06 -3.58 -0.28 0.00 1.25 0.00 0.00 34.83 32.16 3f65 s MET 70 CO 0.05 -0.45 0.32 0.00 1.05 0.00 0.00 175.02 175.99 3f65 n ALA 71 N 5.41 2.37 -3.80 4.11 0.00 0.18 -4.86 120.51 123.92 3f65 n ALA 71 Ca 0.11 -0.68 -0.28 0.00 0.00 0.00 0.00 53.44 52.59 3f65 n ALA 71 Cb 0.47 -0.50 -0.16 0.00 0.00 0.00 0.00 19.45 19.25 3f65 n ALA 71 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3f65 s SER 72 N -4.52 2.99 -1.40 0.00 0.15 -1.10 -5.03 113.70 104.79 3f65 s SER 72 Ca -0.08 -0.82 -0.11 0.00 0.70 0.00 0.00 55.95 55.65 3f65 s SER 72 Cb 0.10 -0.74 0.08 0.00 -1.71 0.00 0.00 66.02 63.75 3f65 s SER 72 CO 0.78 -0.27 2.21 -0.90 1.20 0.00 0.00 173.24 176.26 3f65 n ASP 73 N 4.96 5.46 0.00 5.45 5.75 -1.26 -4.36 116.55 132.55 3f65 n ASP 73 Ca -0.10 -2.94 0.00 0.00 -0.01 0.00 0.00 54.79 51.74 3f65 n ASP 73 Cb 0.47 -1.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.02 3f65 n ASP 73 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3f65 n HIS 74 N 4.40 0.00 -2.25 2.11 1.44 -1.26 -5.07 115.22 114.60 3f65 n HIS 74 Ca 0.52 -0.23 -0.39 0.00 -2.01 0.00 0.00 57.72 55.60 3f65 n HIS 74 Cb 0.34 -0.02 -0.02 0.00 0.12 0.00 0.00 29.99 30.41 3f65 n HIS 74 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3f65 s LEU 75 N -0.46 4.33 0.32 2.39 1.43 -1.26 -4.96 118.68 120.46 3f65 s LEU 75 Ca 0.00 2.47 -0.29 0.00 -1.03 0.00 0.00 54.13 55.28 3f65 s LEU 75 Cb 0.00 -3.83 -0.13 0.00 0.03 0.00 0.00 46.19 42.26 3f65 s LEU 75 CO 0.00 -0.56 1.29 -2.65 0.23 0.00 0.00 176.35 174.65 3f65 n PRO 76 N 0.49 2.05 0.00 1.29 -0.02 -1.26 -4.90 135.00 132.64 3f65 n PRO 76 Ca 0.02 0.72 0.12 0.00 -2.02 0.00 0.00 63.50 62.34 3f65 n PRO 76 Cb 0.44 -2.30 0.12 0.00 -0.02 0.00 0.00 33.50 31.75 3f65 n PRO 76 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3f65 n LYS 77 N 0.82 1.71 0.00 -0.52 4.76 -1.26 -4.30 118.16 119.37 3f65 n LYS 77 Ca 0.06 -1.36 0.03 0.00 -2.87 0.00 0.00 58.31 54.17 3f65 n LYS 77 Cb 0.35 -1.47 0.02 0.00 -1.84 0.00 0.00 35.03 32.09 3f65 n LYS 77 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3f65 n ASP 78 N 0.55 1.41 -3.71 4.39 5.75 -1.26 -4.58 116.55 119.10 3f65 n ASP 78 Ca 0.12 -1.20 -0.11 0.00 -0.01 0.00 0.00 54.79 53.59 3f65 n ASP 78 Cb 0.51 0.14 -0.06 0.00 -1.03 0.00 0.00 41.12 40.68 3f65 n ASP 78 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 3f65 s LYS 79 N -0.74 0.94 0.90 0.11 -2.85 -1.26 -4.73 119.74 112.10 3f65 s LYS 79 Ca 0.07 -0.63 -0.11 0.00 -1.00 0.00 0.00 55.97 54.30 3f65 s LYS 79 Cb 0.06 0.41 0.13 0.00 -2.06 0.00 0.00 37.83 36.37 3f65 s LYS 79 CO 0.11 -0.33 1.10 -1.21 0.10 0.00 0.00 175.35 175.12 3f65 s GLU 80 N -3.25 1.23 0.09 1.78 2.02 -0.32 -4.66 118.70 115.60 3f65 s GLU 80 Ca -0.00 1.06 0.03 0.00 0.02 0.00 0.00 54.97 56.08 3f65 s GLU 80 Cb 0.01 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 32.42 3f65 s GLU 80 CO -0.08 -2.33 -0.08 -1.12 0.02 0.00 0.00 175.26 171.68 3f65 s SER 81 N -3.16 1.22 0.08 -0.19 0.01 -0.78 -4.89 113.70 106.00 3f65 s SER 81 Ca 0.64 -0.88 0.07 0.00 1.31 0.00 0.00 55.95 57.09 3f65 s SER 81 Cb -0.19 0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.06 3f65 s SER 81 CO 0.58 -0.36 -0.19 0.68 0.41 0.00 0.00 173.24 174.36 3f65 s VAL 82 N -2.92 1.52 0.08 3.43 -7.23 -1.26 -0.77 120.40 113.25 3f65 s VAL 82 Ca 0.07 -1.39 -0.06 0.00 -1.81 0.00 0.00 61.98 58.79 3f65 s VAL 82 Cb 0.00 -1.38 -0.01 0.00 0.56 0.00 0.00 36.38 35.55 3f65 s VAL 82 CO -0.02 -0.05 0.13 -0.31 -0.31 0.00 0.00 175.10 174.54 3f65 s TYR 83 N -1.10 0.29 -0.30 2.82 1.51 -0.23 -4.27 117.35 116.06 3f65 s TYR 83 Ca 0.04 -0.75 -0.13 0.00 -1.01 0.00 0.00 57.07 55.23 3f65 s TYR 83 Cb -0.10 -0.16 -0.04 0.00 -0.11 0.00 0.00 41.96 41.56 3f65 s TYR 83 CO 0.03 -0.51 0.26 -1.58 -1.11 0.00 0.00 175.55 172.64 3f65 s TRP 84 N -3.89 3.23 -0.23 2.71 0.23 -0.79 -0.34 118.94 119.86 3f65 s TRP 84 Ca 0.07 0.08 -0.20 0.00 -2.03 0.00 0.00 56.10 54.02 3f65 s TRP 84 Cb 0.06 -2.48 -0.02 0.00 0.03 0.00 0.00 33.47 31.06 3f65 s TRP 84 CO -0.10 -0.25 0.62 -1.17 0.96 0.00 0.00 176.95 177.01 3f65 s LEU 85 N 1.84 4.10 -0.10 2.99 2.96 0.43 -0.57 118.68 130.33 3f65 s LEU 85 Ca 0.09 0.74 -0.01 0.00 -0.22 0.00 0.00 54.13 54.74 3f65 s LEU 85 Cb -0.16 -2.85 -0.03 0.00 0.50 0.00 0.00 46.19 43.65 3f65 s LEU 85 CO 0.11 -0.32 -0.06 0.20 -1.32 0.00 0.00 176.35 174.96 3f65 s ASN 86 N 1.36 4.69 -0.19 3.68 0.01 0.19 -1.06 114.94 123.62 3f65 s ASN 86 Ca 0.27 -0.06 -0.00 0.00 -0.71 0.00 0.00 52.86 52.36 3f65 s ASN 86 Cb -0.16 -1.39 0.05 0.00 0.41 0.00 0.00 41.25 40.16 3f65 s ASN 86 CO 0.09 0.30 -0.06 -0.22 -1.51 0.00 0.00 177.10 175.70 3f65 s LEU 87 N -0.42 1.93 -0.22 0.60 0.20 -0.30 -2.15 118.68 118.33 3f65 s LEU 87 Ca 0.06 -0.83 -0.04 0.00 0.69 0.00 0.00 54.13 54.02 3f65 s LEU 87 Cb -0.12 -1.02 -0.01 0.00 -0.43 0.00 0.00 46.19 44.61 3f65 s LEU 87 CO 0.02 -0.19 -0.04 -1.58 -0.29 0.00 0.00 176.35 174.27 3f65 s GLN 88 N 1.54 3.39 0.36 1.98 2.00 0.64 -0.89 119.66 128.67 3f65 s GLN 88 Ca -0.01 -0.62 -0.08 0.00 -2.00 0.00 0.00 55.36 52.65 3f65 s GLN 88 Cb -0.16 -3.01 -0.06 0.00 0.80 0.00 0.00 33.01 30.58 3f65 s GLN 88 CO -0.08 -0.18 0.67 0.16 -0.50 0.00 0.00 175.29 175.37 3f65 s ASP 89 N 1.44 6.48 -0.34 6.67 1.47 -0.29 -1.19 116.67 130.91 3f65 s ASP 89 Ca 0.05 0.93 -0.00 0.00 1.18 0.00 0.00 52.55 54.72 3f65 s ASP 89 Cb -0.14 -2.24 0.11 0.00 -0.34 0.00 0.00 42.92 40.31 3f65 s ASP 89 CO -0.03 -0.31 0.12 -0.63 0.68 0.00 0.00 175.17 175.00 3f65 s ILE 90 N -2.26 1.01 0.73 2.11 1.01 0.04 -4.43 121.20 119.42 3f65 s ILE 90 Ca 0.48 -1.66 -0.15 0.00 0.00 0.00 0.00 60.65 59.31 3f65 s ILE 90 Cb -0.10 -1.76 0.04 0.00 0.01 0.00 0.00 42.46 40.65 3f65 s ILE 90 CO 0.31 -0.72 1.24 -2.84 0.00 0.00 0.00 174.94 172.93 3f65 s PRO 91 N 1.34 2.10 0.70 2.79 0.02 -1.26 -0.41 135.00 140.27 3f65 s PRO 91 Ca 0.12 1.87 -0.13 0.00 0.02 0.00 0.00 61.00 62.88 3f65 s PRO 91 Cb -0.19 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.53 3f65 s PRO 91 CO -0.19 -1.89 1.09 -1.25 -0.33 0.00 0.00 177.00 174.43 3f65 s PRO 92 N -3.80 2.68 0.72 5.54 0.04 -1.25 -4.81 135.00 134.12 3f65 s PRO 92 Ca 0.77 1.24 -0.16 0.00 0.04 0.00 0.00 61.00 62.89 3f65 s PRO 92 Cb -0.32 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.27 3f65 s PRO 92 CO 0.45 -1.33 0.90 0.00 0.04 0.00 0.00 177.00 177.06 3f65 n ALA 93 N -2.86 -0.43 -2.33 8.56 0.00 -1.26 -4.99 120.51 117.20 3f65 n ALA 93 Ca 0.09 -0.19 -0.38 0.00 0.00 0.00 0.00 53.44 52.96 3f65 n ALA 93 Cb 0.53 -2.07 -0.06 0.00 0.00 0.00 0.00 19.45 17.84 3f65 n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3f65 s LEU 94 N -2.62 4.51 0.12 0.00 1.43 -1.26 -5.00 118.68 115.86 3f65 s LEU 94 Ca 0.72 1.19 -0.27 0.00 -1.03 0.00 0.00 54.13 54.74 3f65 s LEU 94 Cb -0.35 -2.86 -0.05 0.00 0.03 0.00 0.00 46.19 42.96 3f65 s LEU 94 CO 0.51 0.27 1.61 1.05 0.23 0.00 0.00 176.35 180.03 3f65 h GLU 95 N 4.50 -0.45 0.00 1.70 -0.00 -2.03 -3.45 114.58 114.85 3f65 h GLU 95 Ca -0.50 0.03 0.00 0.00 -0.00 0.00 0.00 59.36 58.89 3f65 h GLU 95 Cb 1.21 0.10 0.00 0.00 -0.00 0.00 0.00 28.75 30.07 3f65 h GLU 95 CO 0.63 -0.30 0.00 0.41 -0.00 0.00 0.00 179.01 179.75 3f65 n GLY 96 N -1.41 3.47 3.89 1.06 0.00 -1.26 -5.14 105.19 105.80 3f65 n GLY 96 Ca -0.05 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 3f65 n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f65 s SER 97 N 1.00 5.89 0.00 1.61 1.04 -1.26 -5.01 113.70 116.97 3f65 s SER 97 Ca 0.00 1.05 0.00 0.00 0.48 0.00 0.00 55.95 57.48 3f65 s SER 97 Cb 0.00 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 64.03 3f65 s SER 97 CO 0.00 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.87 3f65 n GLY 98 N -2.64 0.38 3.18 7.32 0.00 -1.26 -5.08 105.19 107.09 3f65 n GLY 98 Ca 0.04 -1.70 -0.27 0.00 0.00 0.00 0.00 46.02 44.10 3f65 n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f65 s ILE 99 N -2.50 1.55 -0.09 -0.61 1.01 -1.26 -5.11 121.20 114.19 3f65 s ILE 99 Ca 0.00 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 59.87 3f65 s ILE 99 Cb 0.00 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 3f65 s ILE 99 CO 0.00 0.44 -0.22 0.00 0.00 0.00 0.00 174.94 175.16 3f65 s ALA 100 N -0.26 2.28 -0.19 9.38 0.00 -1.26 -5.11 121.76 126.60 3f65 s ALA 100 Ca 0.03 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 3f65 s ALA 100 Cb -0.09 -0.86 -0.05 0.00 0.00 0.00 0.00 23.12 22.12 3f65 s ALA 100 CO 0.01 0.33 0.12 0.08 0.00 0.00 0.00 175.76 176.29 3f65 s VAL 101 N 0.16 5.29 -0.04 0.00 1.01 -1.26 -5.07 120.40 120.48 3f65 s VAL 101 Ca -0.12 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.06 3f65 s VAL 101 Cb -0.16 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 3f65 s VAL 101 CO 0.07 0.46 -0.21 0.00 0.00 0.00 0.00 175.10 175.42 3f65 s ALA 102 N 0.23 1.79 -0.10 5.51 0.00 -1.26 -4.64 121.76 123.30 3f65 s ALA 102 Ca 0.08 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.20 3f65 s ALA 102 Cb -0.11 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 3f65 s ALA 102 CO -0.01 0.36 -0.16 -0.51 0.00 0.00 0.00 175.76 175.44 3f65 s LEU 103 N -0.17 2.56 -0.22 0.00 1.43 -1.26 -4.99 118.68 116.02 3f65 s LEU 103 Ca -0.00 -0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 52.72 3f65 s LEU 103 Cb -0.11 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.57 3f65 s LEU 103 CO 0.02 0.22 -0.07 -0.60 0.23 0.00 0.00 176.35 176.15 3f65 s ARG 104 N 0.01 3.19 -0.14 1.70 3.52 -1.26 -1.13 118.95 124.83 3f65 s ARG 104 Ca -0.05 -0.74 -0.06 0.00 -0.13 0.00 0.00 55.73 54.75 3f65 s ARG 104 Cb -0.15 -2.93 -0.04 0.00 -1.56 0.00 0.00 34.95 30.27 3f65 s ARG 104 CO 0.04 -0.25 0.08 -0.08 -0.81 0.00 0.00 175.30 174.29 3f65 s THR 105 N 1.41 4.97 -0.19 4.11 -1.32 -0.07 -4.94 115.64 119.61 3f65 s THR 105 Ca 0.04 0.02 0.01 0.00 -1.21 0.00 0.00 61.69 60.55 3f65 s THR 105 Cb -0.15 -3.18 0.02 0.00 -1.51 0.00 0.00 72.50 67.68 3f65 s THR 105 CO -0.05 0.55 -0.18 -0.75 -2.21 0.00 0.00 174.62 171.97 3f65 s LYS 106 N -0.42 2.97 0.20 7.08 2.20 -1.26 -1.15 119.74 129.36 3f65 s LYS 106 Ca 0.10 -0.85 0.06 0.00 -0.36 0.00 0.00 55.97 54.92 3f65 s LYS 106 Cb -0.12 -2.62 -0.05 0.00 -1.51 0.00 0.00 37.83 33.53 3f65 s LYS 106 CO 0.02 -0.23 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.16 3f65 s LEU 107 N 1.29 2.51 0.03 5.43 1.02 -0.22 -4.96 118.68 123.77 3f65 s LEU 107 Ca 0.04 -1.06 -0.30 0.00 0.02 0.00 0.00 54.13 52.83 3f65 s LEU 107 Cb -0.14 -0.54 -0.05 0.00 0.02 0.00 0.00 46.19 45.49 3f65 s LEU 107 CO -0.12 -0.27 1.13 -0.54 0.02 0.00 0.00 176.35 176.57 3f65 s LYS 108 N -3.70 4.46 -0.35 1.70 1.02 -1.26 -0.43 119.74 121.18 3f65 s LYS 108 Ca 0.22 1.64 -0.02 0.00 0.02 0.00 0.00 55.97 57.84 3f65 s LYS 108 Cb 0.01 -3.40 0.08 0.00 -0.52 0.00 0.00 37.83 34.00 3f65 s LYS 108 CO 0.06 -0.21 0.09 -1.17 -0.92 0.00 0.00 175.35 173.20 3f65 s LEU 109 N 1.16 4.55 0.04 3.17 2.96 0.54 -1.36 118.68 129.74 3f65 s LEU 109 Ca 0.56 -1.64 -0.23 0.00 -0.22 0.00 0.00 54.13 52.60 3f65 s LEU 109 Cb -0.26 -1.76 -0.06 0.00 0.50 0.00 0.00 46.19 44.61 3f65 s LEU 109 CO 0.28 -0.39 0.70 -0.36 -1.32 0.00 0.00 176.35 175.26 3f65 s PHE 110 N 1.19 3.73 -0.26 5.38 0.40 0.03 -1.07 117.98 127.38 3f65 s PHE 110 Ca 0.02 1.38 -0.09 0.00 -0.60 0.00 0.00 56.93 57.64 3f65 s PHE 110 Cb -0.21 -2.74 -0.04 0.00 0.51 0.00 0.00 43.02 40.54 3f65 s PHE 110 CO -0.03 0.32 0.12 -0.47 0.70 0.00 0.00 175.22 175.86 3f65 s TYR 111 N -0.18 3.15 -0.39 0.36 5.04 0.05 0.13 117.35 125.51 3f65 s TYR 111 Ca 0.36 -0.18 -0.02 0.00 -2.44 0.00 0.00 57.07 54.79 3f65 s TYR 111 Cb -0.20 -2.29 0.10 0.00 0.35 0.00 0.00 41.96 39.92 3f65 s TYR 111 CO 0.21 -0.26 0.17 0.50 -1.34 0.00 0.00 175.55 174.84 3f65 s ARG 112 N 1.63 2.02 0.67 4.97 3.52 0.57 -1.86 118.95 130.48 3f65 s ARG 112 Ca 0.07 -1.76 -0.17 0.00 -0.13 0.00 0.00 55.73 53.74 3f65 s ARG 112 Cb -0.15 -3.52 -0.03 0.00 -1.56 0.00 0.00 34.95 29.69 3f65 s ARG 112 CO 0.07 -1.01 0.81 -2.30 -0.81 0.00 0.00 175.30 172.05 3f65 n PRO 113 N 4.58 0.56 -0.25 5.12 -0.02 -1.26 -0.10 135.00 143.63 3f65 n PRO 113 Ca -0.03 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3f65 n PRO 113 Cb 0.42 -2.05 0.07 0.00 -0.02 0.00 0.00 33.50 31.92 3f65 n PRO 113 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3f65 h LYS 114 N -0.02 -0.02 -0.96 -0.52 -0.00 -1.88 -1.37 116.57 111.79 3f65 h LYS 114 Ca -0.47 0.00 0.26 0.00 -0.00 0.00 0.00 60.65 60.44 3f65 h LYS 114 Cb 1.35 0.01 -0.06 0.00 -0.00 0.00 0.00 32.23 33.53 3f65 h LYS 114 CO 0.47 -0.01 0.66 0.00 -0.00 0.00 0.00 179.45 180.57 3f65 h ALA 115 N 1.64 2.58 -0.03 0.07 0.00 -1.90 0.05 119.26 121.68 3f65 h ALA 115 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3f65 h ALA 115 Cb 0.55 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3f65 h ALA 115 CO -0.76 -0.89 -0.00 1.28 0.00 0.00 0.00 179.25 178.88 3f65 n LEU 116 N -4.39 2.51 0.34 0.00 4.77 -0.52 -4.52 117.00 115.18 3f65 n LEU 116 Ca 0.21 -0.84 0.21 0.00 -0.03 0.00 0.00 56.01 55.56 3f65 n LEU 116 Cb 0.91 -0.00 1.12 0.00 -2.33 0.00 0.00 43.42 43.11 3f65 n LEU 116 CO 0.34 0.42 1.17 -0.07 -1.33 0.00 0.00 177.39 177.92 3f65 h LEU 117 N 3.94 0.00 -0.31 2.23 3.38 -0.92 -1.03 115.31 122.59 3f65 h LEU 117 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3f65 h LEU 117 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3f65 h LEU 117 CO 0.00 0.00 -0.05 -0.62 0.09 0.00 0.00 178.44 177.86 3f65 n GLU 118 N -3.03 4.41 0.07 1.13 1.02 -1.26 -4.71 120.64 118.27 3f65 n GLU 118 Ca -0.03 -0.17 -0.13 0.00 -0.02 0.00 0.00 57.16 56.81 3f65 n GLU 118 Cb 0.16 -0.71 -0.13 0.00 -0.02 0.00 0.00 31.44 30.73 3f65 n GLU 118 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3f65 h GLY 119 N 0.37 0.19 -0.13 0.62 0.00 -1.45 -3.32 103.07 99.36 3f65 h GLY 119 Ca 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 47.33 46.87 3f65 h GLY 119 CO 0.00 0.43 -0.36 3.21 0.00 0.00 0.00 176.54 179.82 3f65 h ARG 120 N 0.05 -0.34 0.00 4.80 3.08 -1.81 -3.42 114.38 116.73 3f65 h ARG 120 Ca -0.15 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3f65 h ARG 120 Cb 1.93 0.08 0.00 0.00 0.08 0.00 0.00 29.97 32.06 3f65 h ARG 120 CO 0.16 -0.23 0.00 1.63 -1.07 0.00 0.00 179.97 180.46 3f65 n LYS 121 N -4.44 -1.41 -1.08 0.04 4.76 -1.25 -4.06 118.16 110.72 3f65 n LYS 121 Ca -0.04 0.17 0.15 0.00 -2.87 0.00 0.00 58.31 55.72 3f65 n LYS 121 Cb 0.24 -3.40 -0.04 0.00 -1.84 0.00 0.00 35.03 30.00 3f65 n LYS 121 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3f65 n GLY 122 N 0.21 -1.41 2.41 0.72 0.00 -1.26 -4.78 105.19 101.07 3f65 n GLY 122 Ca 0.00 -0.84 -0.15 0.00 0.00 0.00 0.00 46.02 45.04 3f65 n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f65 n ALA 123 N -1.87 -0.22 -1.64 4.61 0.00 -1.26 -4.84 120.51 115.30 3f65 n ALA 123 Ca 0.01 0.24 -0.15 0.00 0.00 0.00 0.00 53.44 53.53 3f65 n ALA 123 Cb 0.62 -1.67 -0.07 0.00 0.00 0.00 0.00 19.45 18.34 3f65 n ALA 123 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3f65 s GLU 124 N -3.18 1.73 -0.31 0.00 8.01 -1.26 -4.70 118.70 118.99 3f65 s GLU 124 Ca 0.00 0.38 0.09 0.00 0.01 0.00 0.00 54.97 55.45 3f65 s GLU 124 Cb 0.00 -4.82 0.55 0.00 -4.31 0.00 0.00 34.13 25.55 3f65 s GLU 124 CO 0.00 -4.31 1.56 -0.85 0.01 0.00 0.00 175.26 171.67 3f65 n GLU 125 N 8.83 2.09 0.00 1.61 0.28 -1.26 -4.48 120.64 127.70 3f65 n GLU 125 Ca 0.46 -3.12 0.14 0.00 -0.16 0.00 0.00 57.16 54.48 3f65 n GLU 125 Cb 0.44 -1.91 0.70 0.00 1.43 0.00 0.00 31.44 32.10 3f65 n GLU 125 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3f65 n GLY 126 N -1.03 -1.29 3.32 -1.84 0.00 -1.26 -3.04 105.19 100.04 3f65 n GLY 126 Ca 0.38 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 3f65 n GLY 126 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3f65 n ILE 127 N -1.33 0.89 -4.12 -0.61 2.08 -1.26 -4.54 119.36 110.47 3f65 n ILE 127 Ca 0.12 -0.43 -0.13 0.00 0.56 0.00 0.00 62.75 62.87 3f65 n ILE 127 Cb 0.25 -0.40 -0.11 0.00 -0.75 0.00 0.00 39.64 38.64 3f65 n ILE 127 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 3f65 s SER 128 N -1.28 1.09 -0.23 4.38 1.04 -0.55 0.76 113.70 118.90 3f65 s SER 128 Ca 0.58 -0.75 -0.07 0.00 0.48 0.00 0.00 55.95 56.19 3f65 s SER 128 Cb -0.35 0.05 -0.03 0.00 0.10 0.00 0.00 66.02 65.79 3f65 s SER 128 CO 0.65 -0.30 0.06 -0.76 0.98 0.00 0.00 173.24 173.87 3f65 s LEU 129 N -2.24 3.49 0.03 2.42 1.43 -1.26 -1.21 118.68 121.35 3f65 s LEU 129 Ca 0.00 -0.15 0.08 0.00 -1.03 0.00 0.00 54.13 53.03 3f65 s LEU 129 Cb -0.04 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 3f65 s LEU 129 CO -0.01 0.02 -0.22 -1.10 0.23 0.00 0.00 176.35 175.26 3f65 s GLN 130 N 1.29 1.57 0.20 1.70 -0.21 -0.75 -4.96 119.66 118.51 3f65 s GLN 130 Ca 0.05 -0.94 -0.11 0.00 0.02 0.00 0.00 55.36 54.37 3f65 s GLN 130 Cb -0.15 -1.66 -0.07 0.00 1.00 0.00 0.00 33.01 32.14 3f65 s GLN 130 CO 0.03 0.43 0.55 -1.12 -2.12 0.00 0.00 175.29 173.07 3f65 s SER 131 N -1.04 6.69 0.17 5.90 0.01 -1.26 -0.78 113.70 123.39 3f65 s SER 131 Ca 0.09 0.98 0.09 0.00 1.31 0.00 0.00 55.95 58.41 3f65 s SER 131 Cb -0.09 -2.25 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 3f65 s SER 131 CO 0.01 -0.02 -0.20 -0.13 0.41 0.00 0.00 173.24 173.31 3f65 s ARG 132 N -2.55 1.33 0.60 12.44 1.81 -1.00 -4.96 118.95 126.62 3f65 s ARG 132 Ca 0.44 -1.43 0.31 0.00 -1.72 0.00 0.00 55.73 53.33 3f65 s ARG 132 Cb -0.12 -1.46 1.83 0.00 -0.45 0.00 0.00 34.95 34.75 3f65 s ARG 132 CO 0.20 0.30 2.23 -1.35 -0.68 0.00 0.00 175.30 176.00 3f65 h PRO 133 N 3.27 0.00 -1.24 3.54 0.11 -1.99 0.21 132.00 135.90 3f65 h PRO 133 Ca -0.43 0.00 0.40 0.00 0.11 0.00 0.00 66.00 66.08 3f65 h PRO 133 Cb 1.21 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.19 3f65 h PRO 133 CO 0.50 0.00 0.79 -0.44 -0.21 0.00 0.00 178.00 178.63 3f65 h ASP 134 N 0.00 0.30 0.00 -2.05 3.32 -2.04 -3.45 116.42 112.50 3f65 h ASP 134 Ca 0.02 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3f65 h ASP 134 Cb 0.12 0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3f65 h ASP 134 CO -0.00 -0.15 0.00 0.61 -1.72 0.00 0.00 179.24 177.98 3f65 n GLY 135 N -1.48 0.73 3.87 2.75 0.00 0.75 -5.07 105.19 106.73 3f65 n GLY 135 Ca 0.35 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 3f65 n GLY 135 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f65 s ARG 136 N -0.55 3.85 -0.07 1.61 0.52 -1.26 -4.91 118.95 118.14 3f65 s ARG 136 Ca 0.00 0.34 -0.11 0.00 -0.52 0.00 0.00 55.73 55.44 3f65 s ARG 136 Cb 0.00 -2.69 -0.05 0.00 0.52 0.00 0.00 34.95 32.73 3f65 s ARG 136 CO 0.00 0.34 0.27 0.99 0.02 0.00 0.00 175.30 176.92 3f65 s THR 137 N -1.75 5.28 -0.17 0.02 2.01 -1.26 -2.36 115.64 117.41 3f65 s THR 137 Ca 0.46 0.51 0.01 0.00 0.31 0.00 0.00 61.69 62.98 3f65 s THR 137 Cb -0.12 -3.55 0.02 0.00 0.01 0.00 0.00 72.50 68.86 3f65 s THR 137 CO 0.20 0.58 -0.19 -0.04 -0.69 0.00 0.00 174.62 174.49 3f65 s MET 138 N -0.91 2.81 -0.19 4.92 1.00 0.04 -1.46 119.30 125.51 3f65 s MET 138 Ca 0.19 -0.76 -0.29 0.00 0.00 0.00 0.00 55.69 54.82 3f65 s MET 138 Cb -0.14 -2.44 -0.01 0.00 0.00 0.00 0.00 34.83 32.24 3f65 s MET 138 CO 0.08 -0.20 1.21 -1.17 0.00 0.00 0.00 175.02 174.94 3f65 s LEU 139 N 1.30 4.15 -0.12 -0.03 2.96 0.72 -1.81 118.68 125.86 3f65 s LEU 139 Ca 0.04 1.60 0.03 0.00 -0.22 0.00 0.00 54.13 55.58 3f65 s LEU 139 Cb -0.13 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.03 3f65 s LEU 139 CO -0.12 -0.75 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.27 3f65 s VAL 140 N 3.45 1.92 -1.18 1.68 1.01 -0.35 -0.84 120.40 126.09 3f65 s VAL 140 Ca 0.52 -0.91 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 3f65 s VAL 140 Cb -0.20 -1.69 0.06 0.00 0.00 0.00 0.00 36.38 34.55 3f65 s VAL 140 CO 0.13 0.52 1.62 0.21 0.00 0.00 0.00 175.10 177.58 3f65 s ASN 141 N 0.67 6.68 0.00 3.32 3.04 -0.92 -1.49 114.94 126.24 3f65 s ASN 141 Ca -0.11 -2.02 0.17 0.00 0.04 0.00 0.00 52.86 50.93 3f65 s ASN 141 Cb -0.16 -2.58 0.81 0.00 -1.54 0.00 0.00 41.25 37.79 3f65 s ASN 141 CO 0.02 -1.33 1.55 0.35 -3.04 0.00 0.00 177.10 174.65 3f65 n THR 142 N 6.62 0.11 -2.76 -5.21 -2.24 -1.26 -1.19 114.28 108.35 3f65 n THR 142 Ca 0.42 -0.16 -0.24 0.00 -2.27 0.00 0.00 64.05 61.80 3f65 n THR 142 Cb 0.48 0.01 0.02 0.00 -2.10 0.00 0.00 70.33 68.74 3f65 n THR 142 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3f65 s THR 143 N -1.89 3.82 -1.97 4.28 -4.23 -1.26 -4.94 115.64 109.45 3f65 s THR 143 Ca 0.26 -0.32 0.08 0.00 -1.18 0.00 0.00 61.69 60.53 3f65 s THR 143 Cb 0.13 -3.45 0.22 0.00 1.34 0.00 0.00 72.50 70.74 3f65 s THR 143 CO 0.21 -0.37 1.18 -2.65 -0.54 0.00 0.00 174.62 172.44 3f65 n PRO 144 N -2.27 1.59 -5.04 3.99 -0.02 -1.26 -4.42 135.00 127.58 3f65 n PRO 144 Ca 0.03 -0.89 -0.30 0.00 -2.02 0.00 0.00 63.50 60.31 3f65 n PRO 144 Cb 0.58 -1.21 -0.15 0.00 -0.02 0.00 0.00 33.50 32.70 3f65 n PRO 144 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3f65 s TYR 145 N -1.67 2.24 -0.02 6.00 1.51 -1.26 -1.18 117.35 122.98 3f65 s TYR 145 Ca 0.17 -0.41 -0.27 0.00 -1.01 0.00 0.00 57.07 55.54 3f65 s TYR 145 Cb 0.09 -1.39 -0.04 0.00 -0.11 0.00 0.00 41.96 40.52 3f65 s TYR 145 CO 0.11 0.05 0.86 0.42 -1.11 0.00 0.00 175.55 175.89 3f65 s ILE 146 N -0.71 4.91 0.37 2.71 1.01 -1.26 -4.33 121.20 123.90 3f65 s ILE 146 Ca 0.10 1.81 0.08 0.00 0.00 0.00 0.00 60.65 62.65 3f65 s ILE 146 Cb -0.10 -4.21 -0.06 0.00 0.01 0.00 0.00 42.46 38.11 3f65 s ILE 146 CO 0.01 0.21 0.04 -0.36 0.00 0.00 0.00 174.94 174.84 3f65 s PHE 147 N 0.82 2.54 -0.46 3.97 0.40 -0.58 -4.98 117.98 119.69 3f65 s PHE 147 Ca 0.46 -0.51 0.03 0.00 -0.60 0.00 0.00 56.93 56.31 3f65 s PHE 147 Cb -0.20 -1.62 0.16 0.00 0.51 0.00 0.00 43.02 41.87 3f65 s PHE 147 CO 0.24 0.42 0.33 0.00 0.70 0.00 0.00 175.22 176.91 3f65 s ALA 148 N -2.58 1.87 0.38 5.36 0.00 -1.26 -1.90 121.76 123.64 3f65 s ALA 148 Ca 0.36 -2.62 -0.24 0.00 0.00 0.00 0.00 51.96 49.46 3f65 s ALA 148 Cb 0.03 -1.75 -0.10 0.00 0.00 0.00 0.00 23.12 21.30 3f65 s ALA 148 CO 0.19 -2.03 0.99 0.42 0.00 0.00 0.00 175.76 175.34 3f65 s ILE 149 N 0.03 4.01 -0.07 0.00 1.01 -0.44 -2.84 121.20 122.90 3f65 s ILE 149 Ca 0.26 1.52 -0.09 0.00 0.00 0.00 0.00 60.65 62.34 3f65 s ILE 149 Cb -0.07 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 3f65 s ILE 149 CO -0.12 -0.01 -0.19 0.61 0.00 0.00 0.00 174.94 175.23 3f65 n GLY 150 N 0.22 -0.29 3.80 6.18 0.00 0.09 -4.20 105.19 110.99 3f65 n GLY 150 Ca 0.04 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 3f65 n GLY 150 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3f65 s SER 151 N -6.05 6.19 0.00 1.61 0.01 -1.26 -5.03 113.70 109.17 3f65 s SER 151 Ca -0.17 1.89 0.00 0.00 1.31 0.00 0.00 55.95 58.98 3f65 s SER 151 Cb 0.04 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.71 3f65 s SER 151 CO 0.24 -0.88 0.00 0.00 0.41 0.00 0.00 173.24 173.00 3f65 n ALA 161 N -1.28 0.00 0.00 1.44 0.00 -1.26 -4.79 120.51 114.62 3f65 n ALA 161 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3f65 n ALA 161 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3f65 n ALA 161 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3f65 n THR 162 N 0.00 0.00 -0.23 0.00 -2.24 -1.26 -5.17 114.28 105.37 3f65 n THR 162 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3f65 n THR 162 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3f65 n THR 162 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3f65 n ASP 163 N 3.00 -0.57 0.06 3.42 2.03 -1.26 -4.61 116.55 118.62 3f65 n ASP 163 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 3f65 n ASP 163 Cb 0.00 -0.29 -0.06 0.00 -0.72 0.00 0.00 41.12 40.06 3f65 n ASP 163 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 3f65 h ASN 164 N 0.00 -0.92 -0.71 1.67 -1.24 -2.02 0.50 115.58 112.86 3f65 h ASN 164 Ca 0.00 0.10 0.10 0.00 0.71 0.00 0.00 56.30 57.21 3f65 h ASN 164 Cb 0.00 0.34 -0.05 0.00 0.73 0.00 0.00 38.32 39.34 3f65 h ASN 164 CO 0.00 -0.32 0.47 1.23 -1.29 0.00 0.00 177.43 177.52 3f65 h GLY 165 N -0.43 0.83 1.31 1.57 0.00 -2.00 -2.36 103.07 101.98 3f65 h GLY 165 Ca -0.00 -0.24 -0.23 0.00 0.00 0.00 0.00 47.33 46.86 3f65 h GLY 165 CO -0.17 0.14 -0.85 -0.84 0.00 0.00 0.00 176.54 174.83 3f65 h THR 166 N 0.58 1.31 -0.18 4.70 2.02 -1.79 -2.89 112.91 116.66 3f65 h THR 166 Ca 0.33 -2.11 -0.10 0.00 0.77 0.00 0.00 66.41 65.29 3f65 h THR 166 Cb 0.50 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 3f65 h THR 166 CO -0.11 0.66 -0.34 0.00 0.37 0.00 0.00 175.52 176.10 3f65 h THR 167 N 0.43 1.29 -0.78 3.16 1.03 -0.41 -1.69 112.91 115.93 3f65 h THR 167 Ca -0.07 -1.40 -0.00 0.00 -0.01 0.00 0.00 66.41 64.93 3f65 h THR 167 Cb 1.47 1.52 -0.04 0.00 -1.07 0.00 0.00 68.15 70.04 3f65 h THR 167 CO 0.16 0.43 0.47 1.56 -0.01 0.00 0.00 175.52 178.13 3f65 h GLN 168 N 0.32 1.05 0.00 0.00 1.08 -1.44 -1.28 115.11 114.84 3f65 h GLN 168 Ca 0.04 -0.10 -0.04 0.00 -1.45 0.00 0.00 58.65 57.10 3f65 h GLN 168 Cb 0.75 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 3f65 h GLN 168 CO 0.06 0.74 -0.20 0.87 -0.95 0.00 0.00 178.83 179.36 3f65 h LYS 169 N 1.06 0.00 0.00 1.46 1.79 -1.22 -2.85 116.57 116.81 3f65 h LYS 169 Ca 0.28 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.57 3f65 h LYS 169 Cb -0.04 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 3f65 h LYS 169 CO -0.05 0.20 -0.93 1.37 -1.08 0.00 0.00 179.45 178.96 3f65 h LEU 170 N 0.00 0.00 -0.90 2.94 8.10 -0.42 -2.93 115.31 122.10 3f65 h LEU 170 Ca -0.00 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.90 3f65 h LEU 170 Cb 0.44 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.65 3f65 h LEU 170 CO 0.03 0.83 -0.41 -0.07 -4.11 0.00 0.00 178.44 174.70 3f65 h LEU 171 N 0.00 0.00 -5.23 0.17 3.38 -1.03 -1.15 115.31 111.45 3f65 h LEU 171 Ca -0.04 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.35 3f65 h LEU 171 Cb 1.66 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.99 3f65 h LEU 171 CO 0.10 0.41 -0.68 0.80 0.09 0.00 0.00 178.44 179.17 3f65 n MET 172 N -3.58 3.17 -2.67 1.13 1.56 -1.19 -4.12 117.12 111.42 3f65 n MET 172 Ca -0.00 -4.76 -0.42 0.00 -0.27 0.00 0.00 57.70 52.25 3f65 n MET 172 Cb 0.53 -2.21 -0.03 0.00 2.15 0.00 0.00 33.22 33.65 3f65 n MET 172 CO 0.00 0.00 0.00 -0.06 -0.73 0.00 0.00 175.97 175.18 3f65 s PHE 173 N -3.44 2.45 0.37 1.12 2.99 -0.80 -4.92 117.98 115.74 3f65 s PHE 173 Ca 0.48 -0.29 -0.02 0.00 0.00 0.00 0.00 56.93 57.11 3f65 s PHE 173 Cb 0.30 -4.50 -0.04 0.00 0.00 0.00 0.00 43.02 38.78 3f65 s PHE 173 CO -0.14 -1.90 0.60 -1.64 -0.00 0.00 0.00 175.22 172.14 3f65 s MET 174 N 5.02 3.53 0.19 0.44 -1.94 -1.26 -1.53 119.30 123.75 3f65 s MET 174 Ca 0.30 -0.14 -0.33 0.00 -1.71 0.00 0.00 55.69 53.82 3f65 s MET 174 Cb -0.11 -2.59 -0.14 0.00 2.01 0.00 0.00 34.83 33.99 3f65 s MET 174 CO 0.12 0.08 1.37 -2.30 -0.01 0.00 0.00 175.02 174.28 3f65 n PRO 175 N -1.71 1.74 0.00 2.03 -0.02 -1.26 -1.19 135.00 134.58 3f65 n PRO 175 Ca -0.03 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3f65 n PRO 175 Cb 0.55 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3f65 n PRO 175 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f65 n GLY 176 N 2.38 3.07 3.70 -1.23 0.00 -0.33 -5.01 105.19 107.77 3f65 n GLY 176 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3f65 n GLY 176 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3f65 s ASP 177 N -0.20 3.75 -0.01 1.61 1.11 -0.34 -4.80 116.67 117.79 3f65 s ASP 177 Ca 0.00 2.35 -0.05 0.00 0.18 0.00 0.00 52.55 55.04 3f65 s ASP 177 Cb 0.00 -2.59 -0.00 0.00 1.07 0.00 0.00 42.92 41.40 3f65 s ASP 177 CO 0.00 -2.56 0.09 -1.83 1.18 0.00 0.00 175.17 172.05 3f65 s GLU 178 N -4.10 0.34 -0.11 8.23 -1.05 -1.26 -2.18 118.70 118.57 3f65 s GLU 178 Ca 0.73 -0.29 -0.05 0.00 -0.15 0.00 0.00 54.97 55.21 3f65 s GLU 178 Cb -0.28 0.14 0.05 0.00 -0.44 0.00 0.00 34.13 33.59 3f65 s GLU 178 CO 0.49 -0.07 0.24 0.08 0.95 0.00 0.00 175.26 176.96 3f65 s VAL 179 N -0.98 -0.13 0.04 1.83 1.01 -0.02 -4.96 120.40 117.18 3f65 s VAL 179 Ca -0.11 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 3f65 s VAL 179 Cb -0.06 -0.39 -0.08 0.00 0.00 0.00 0.00 36.38 35.85 3f65 s VAL 179 CO 0.01 0.08 1.73 0.00 0.00 0.00 0.00 175.10 176.92 3f65 s GLN 180 N 1.56 4.18 0.24 2.72 0.00 -1.26 -0.20 119.66 126.90 3f65 s GLN 180 Ca -0.06 2.38 0.10 0.00 -0.00 0.00 0.00 55.36 57.78 3f65 s GLN 180 Cb -0.11 -3.81 -0.05 0.00 0.00 0.00 0.00 33.01 29.05 3f65 s GLN 180 CO -0.08 -0.82 -0.18 0.14 0.00 0.00 0.00 175.29 174.35 3f65 s VAL 181 N 3.35 2.16 -0.43 3.63 -7.23 -0.54 -4.89 120.40 116.46 3f65 s VAL 181 Ca 0.77 -2.29 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 3f65 s VAL 181 Cb -0.39 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.38 3f65 s VAL 181 CO 0.34 -0.45 0.39 2.29 -0.31 0.00 0.00 175.10 177.36 3f65 n LYS 182 N -0.44 0.50 0.00 4.82 0.00 -1.26 -4.20 118.16 117.58 3f65 n LYS 182 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 3f65 n LYS 182 Cb 0.60 -1.25 0.00 0.00 -0.00 0.00 0.00 35.03 34.38 3f65 n LYS 182 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3f65 n GLY 183 N 0.53 0.84 0.03 2.58 0.00 -1.26 -4.48 105.19 103.44 3f65 n GLY 183 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3f65 n GLY 183 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3f65 n ASN 184 N 0.09 0.91 -4.72 1.61 2.04 -1.26 -4.96 115.26 108.96 3f65 n ASN 184 Ca 0.00 -0.80 -0.42 0.00 -0.44 0.00 0.00 54.58 52.92 3f65 n ASN 184 Cb 0.00 0.73 -0.03 0.00 -2.53 0.00 0.00 39.78 37.95 3f65 n ASN 184 CO 0.00 0.00 0.00 0.68 -0.44 0.00 0.00 177.26 177.50 3f65 s VAL 185 N -2.96 2.04 0.00 3.53 -7.23 -1.26 -4.87 120.40 109.64 3f65 s VAL 185 Ca 0.10 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.27 3f65 s VAL 185 Cb 0.17 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 34.10 3f65 s VAL 185 CO 0.79 0.00 0.00 0.52 -0.31 0.00 0.00 175.10 176.11 3f65 n VAL 186 N 4.03 0.00 -4.32 1.32 0.31 -1.26 -4.99 118.33 113.42 3f65 n VAL 186 Ca 0.16 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.27 3f65 n VAL 186 Cb 0.35 -0.17 -0.13 0.00 -0.91 0.00 0.00 33.84 32.98 3f65 n VAL 186 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3f65 s LYS 187 N -1.48 1.08 0.00 5.55 3.01 -1.26 -1.78 119.74 124.85 3f65 s LYS 187 Ca 0.00 -1.03 -0.02 0.00 -1.01 0.00 0.00 55.97 53.91 3f65 s LYS 187 Cb 0.00 -1.23 -0.01 0.00 -1.01 0.00 0.00 37.83 35.58 3f65 s LYS 187 CO 0.00 0.29 0.02 0.08 0.51 0.00 0.00 175.35 176.26 3f65 s VAL 188 N -1.09 0.05 -0.20 3.17 1.01 0.46 -4.77 120.40 119.03 3f65 s VAL 188 Ca 0.04 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 3f65 s VAL 188 Cb -0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 36.38 36.10 3f65 s VAL 188 CO 0.03 -0.23 -0.10 1.51 0.00 0.00 0.00 175.10 176.31 3f65 s ASP 189 N -0.71 3.94 0.36 3.32 1.47 -1.26 -3.88 116.67 119.90 3f65 s ASP 189 Ca -0.08 -0.46 0.05 0.00 1.18 0.00 0.00 52.55 53.24 3f65 s ASP 189 Cb -0.05 -1.65 -0.07 0.00 -0.34 0.00 0.00 42.92 40.81 3f65 s ASP 189 CO -0.00 0.00 0.04 -0.94 0.68 0.00 0.00 175.17 174.96 3f65 s SER 190 N 1.32 2.87 -0.44 2.11 1.04 -1.26 -0.74 113.70 118.61 3f65 s SER 190 Ca 0.04 -1.39 -0.29 0.00 0.48 0.00 0.00 55.95 54.79 3f65 s SER 190 Cb -0.14 -0.16 0.02 0.00 0.10 0.00 0.00 66.02 65.84 3f65 s SER 190 CO -0.05 -0.57 1.24 -1.48 0.98 0.00 0.00 173.24 173.36 3f65 s LEU 191 N -3.56 3.64 -0.19 2.42 -0.00 -1.13 -4.39 118.68 115.46 3f65 s LEU 191 Ca 0.35 0.65 -0.02 0.00 -0.00 0.00 0.00 54.13 55.12 3f65 s LEU 191 Cb 0.09 -3.55 0.07 0.00 -0.00 0.00 0.00 46.19 42.80 3f65 s LEU 191 CO 0.16 -1.30 2.30 0.59 -0.00 0.00 0.00 176.35 178.10 3f65 n ASN 192 N 8.15 5.96 0.00 1.48 4.13 0.16 -4.69 115.26 130.45 3f65 n ASN 192 Ca 0.14 -2.80 0.00 0.00 1.68 0.00 0.00 54.58 53.60 3f65 n ASN 192 Cb 0.48 -1.15 0.00 0.00 -1.54 0.00 0.00 39.78 37.58 3f65 n ASN 192 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3f65 n ASP 193 N 1.05 0.00 0.00 6.41 10.43 -1.26 -4.72 116.55 128.45 3f65 n ASP 193 Ca 0.24 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.60 3f65 n ASP 193 Cb 0.59 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.55 3f65 n ASP 193 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 3f65 n TYR 194 N -1.47 0.00 0.00 1.24 4.01 -1.26 -5.00 117.16 114.67 3f65 n TYR 194 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3f65 n TYR 194 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3f65 n TYR 194 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3f65 n GLY 195 N 3.67 0.76 0.00 2.72 0.00 -1.26 -4.96 105.19 106.11 3f65 n GLY 195 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3f65 n GLY 195 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3f65 n LEU 197 N 0.00 0.00 -0.50 0.99 4.77 -1.26 0.39 117.00 121.38 3f65 n LEU 197 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 3f65 n LEU 197 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3f65 n LEU 197 CO 0.00 0.00 0.16 0.00 -1.33 0.00 0.00 177.39 176.22 3f65 n GLN 198 N 1.69 0.00 -1.60 3.23 10.64 -1.26 -4.12 117.38 125.96 3f65 n GLN 198 Ca 0.00 -0.25 -0.54 0.00 -1.83 0.00 0.00 57.00 54.38 3f65 n GLN 198 Cb 0.00 0.23 -0.06 0.00 -0.86 0.00 0.00 30.24 29.54 3f65 n GLN 198 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 3f65 n THR 199 N 0.00 0.04 0.00 -0.39 -2.24 -1.25 -4.34 114.28 106.10 3f65 n THR 199 Ca -0.07 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3f65 n THR 199 Cb 0.38 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 3f65 n THR 199 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 3f65 n TRP 200 N 2.82 0.00 -2.22 4.78 2.14 -1.26 -4.63 117.44 119.07 3f65 n TRP 200 Ca 0.20 0.00 -0.02 0.00 2.07 0.00 0.00 57.50 59.75 3f65 n TRP 200 Cb 0.17 -0.34 0.00 0.00 -0.81 0.00 0.00 31.31 30.33 3f65 n TRP 200 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 3f65 n THR 201 N 0.63 -6.14 -3.50 -1.67 -1.04 -0.73 -0.41 114.28 101.41 3f65 n THR 201 Ca 0.00 0.20 -0.23 0.00 -2.04 0.00 0.00 64.05 61.98 3f65 n THR 201 Cb 0.00 -5.47 -0.01 0.00 -1.82 0.00 0.00 70.33 63.03 3f65 n THR 201 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3f65 s ILE 202 N -2.33 5.08 -0.19 12.58 1.09 -0.95 -4.58 121.20 131.89 3f65 s ILE 202 Ca 0.07 -0.60 0.00 0.00 -1.10 0.00 0.00 60.65 59.02 3f65 s ILE 202 Cb -0.02 -3.84 0.00 0.00 -1.06 0.00 0.00 42.46 37.54 3f65 s ILE 202 CO 0.38 -0.49 0.00 -3.20 -0.10 0.00 0.00 174.94 171.53 3f65 n ASN 203 N -1.71 -2.70 0.00 3.58 4.05 0.23 -4.94 115.26 113.77 3f65 n ASN 203 Ca -0.05 0.03 0.12 0.00 0.45 0.00 0.00 54.58 55.13 3f65 n ASN 203 Cb 0.56 -0.90 0.70 0.00 1.23 0.00 0.00 39.78 41.38 3f65 n ASN 203 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50