#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fw4 s ASP 6 N 0.00 5.12 0.03 6.43 1.11 -1.26 -5.10 116.67 123.01 3fw4 s ASP 6 Ca 0.00 -0.21 0.05 0.00 0.18 0.00 0.00 52.55 52.57 3fw4 s ASP 6 Cb 0.00 -1.92 -0.02 0.00 1.07 0.00 0.00 42.92 42.05 3fw4 s ASP 6 CO 0.00 -0.03 -0.14 -0.76 1.18 0.00 0.00 175.17 175.42 3fw4 s LEU 7 N 1.61 2.15 0.12 1.23 1.43 -1.26 -5.08 118.68 118.87 3fw4 s LEU 7 Ca 0.06 -0.43 -0.31 0.00 -1.03 0.00 0.00 54.13 52.42 3fw4 s LEU 7 Cb -0.15 -0.62 -0.08 0.00 0.03 0.00 0.00 46.19 45.37 3fw4 s LEU 7 CO 0.04 0.05 1.48 -0.63 0.23 0.00 0.00 176.35 177.51 3fw4 s ILE 8 N -0.79 3.10 0.55 -0.59 1.01 -1.26 -4.96 121.20 118.26 3fw4 s ILE 8 Ca 0.02 0.75 -0.21 0.00 0.00 0.00 0.00 60.65 61.20 3fw4 s ILE 8 Cb -0.08 -3.48 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 3fw4 s ILE 8 CO 0.01 0.05 1.32 -2.84 0.00 0.00 0.00 174.94 173.48 3fw4 s PRO 9 N 1.40 3.13 0.30 2.79 0.02 -1.26 -4.83 135.00 136.54 3fw4 s PRO 9 Ca 0.67 2.14 -0.29 0.00 0.02 0.00 0.00 61.00 63.54 3fw4 s PRO 9 Cb -0.39 -2.20 -0.10 0.00 0.02 0.00 0.00 34.50 31.83 3fw4 s PRO 9 CO 0.30 -1.17 1.34 0.00 -0.33 0.00 0.00 177.00 177.14 3fw4 s ALA 10 N -1.36 3.53 0.59 -1.55 0.00 -1.26 -4.97 121.76 116.74 3fw4 s ALA 10 Ca 0.72 1.26 -0.16 0.00 0.00 0.00 0.00 51.96 53.79 3fw4 s ALA 10 Cb -0.38 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.21 3fw4 s ALA 10 CO 0.44 -0.65 1.06 -1.25 0.00 0.00 0.00 175.76 175.36 3fw4 s PRO 11 N -1.28 3.31 0.54 0.00 0.04 -1.26 -5.01 135.00 131.34 3fw4 s PRO 11 Ca 0.52 1.21 -0.21 0.00 0.04 0.00 0.00 61.00 62.56 3fw4 s PRO 11 Cb -0.40 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 3fw4 s PRO 11 CO 0.49 -0.82 1.29 -1.25 0.04 0.00 0.00 177.00 176.75 3fw4 s PRO 12 N -4.06 3.21 0.58 0.56 0.04 -1.26 -4.89 135.00 129.17 3fw4 s PRO 12 Ca 0.64 2.06 0.27 0.00 0.04 0.00 0.00 61.00 64.01 3fw4 s PRO 12 Cb -0.16 -2.21 1.61 0.00 0.04 0.00 0.00 34.50 33.78 3fw4 s PRO 12 CO 0.37 -1.08 2.10 -0.07 0.04 0.00 0.00 177.00 178.36 3fw4 h LEU 13 N 1.44 0.00 -2.03 -3.56 4.07 -1.94 -1.38 115.31 111.91 3fw4 h LEU 13 Ca -0.50 0.00 0.07 0.00 0.08 0.00 0.00 57.88 57.53 3fw4 h LEU 13 Cb 1.29 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.02 3fw4 h LEU 13 CO 0.57 0.00 0.19 0.77 -1.08 0.00 0.00 178.44 178.89 3fw4 h SER 14 N 0.00 0.00 0.27 -0.43 4.64 -2.03 -1.32 113.55 114.69 3fw4 h SER 14 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3fw4 h SER 14 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3fw4 h SER 14 CO -0.00 0.00 -0.10 0.29 -0.87 0.00 0.00 176.83 176.15 3fw4 n LYS 15 N -4.40 0.84 -3.75 4.77 5.02 -0.52 -4.68 118.16 115.44 3fw4 n LYS 15 Ca 0.03 -0.31 -0.37 0.00 -2.02 0.00 0.00 58.31 55.64 3fw4 n LYS 15 Cb 0.35 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.75 3fw4 n LYS 15 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3fw4 s VAL 16 N -2.37 3.44 0.86 -0.18 1.01 -0.50 -4.96 120.40 117.70 3fw4 s VAL 16 Ca 0.31 -1.88 -0.11 0.00 0.00 0.00 0.00 61.98 60.30 3fw4 s VAL 16 Cb 0.20 -3.28 0.11 0.00 0.00 0.00 0.00 36.38 33.41 3fw4 s VAL 16 CO 0.45 -0.61 1.14 -2.84 0.00 0.00 0.00 175.10 173.24 3fw4 s PRO 17 N 1.20 1.46 -0.01 2.72 0.02 -1.26 -4.98 135.00 134.15 3fw4 s PRO 17 Ca 0.06 1.48 0.04 0.00 0.02 0.00 0.00 61.00 62.60 3fw4 s PRO 17 Cb -0.23 -1.78 -0.03 0.00 0.02 0.00 0.00 34.50 32.48 3fw4 s PRO 17 CO -0.03 -2.29 -0.12 -1.17 -0.33 0.00 0.00 177.00 173.06 3fw4 s LEU 18 N -6.27 2.88 -0.24 -5.54 2.96 -1.26 -4.15 118.68 107.06 3fw4 s LEU 18 Ca 0.66 -0.22 -0.29 0.00 -0.22 0.00 0.00 54.13 54.06 3fw4 s LEU 18 Cb -0.22 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 3fw4 s LEU 18 CO 0.56 0.30 1.56 -1.58 -1.32 0.00 0.00 176.35 175.87 3fw4 s GLN 19 N -1.13 3.80 0.47 1.98 2.00 -0.19 -4.90 119.66 121.69 3fw4 s GLN 19 Ca 0.14 1.56 -0.21 0.00 -2.00 0.00 0.00 55.36 54.84 3fw4 s GLN 19 Cb -0.11 -4.01 -0.08 0.00 0.80 0.00 0.00 33.01 29.61 3fw4 s GLN 19 CO 0.04 -1.29 1.08 -1.14 -0.50 0.00 0.00 175.29 173.48 3fw4 s GLN 20 N 4.62 3.81 -1.32 1.67 2.00 -1.26 -3.71 119.66 125.47 3fw4 s GLN 20 Ca 0.69 1.51 -0.04 0.00 -2.00 0.00 0.00 55.36 55.51 3fw4 s GLN 20 Cb -0.23 -2.24 0.02 0.00 0.80 0.00 0.00 33.01 31.35 3fw4 s GLN 20 CO 0.28 -0.45 0.94 0.09 -0.50 0.00 0.00 175.29 175.66 3fw4 n ASN 21 N -0.72 -3.04 -4.65 6.67 3.02 -1.26 -4.87 115.26 110.41 3fw4 n ASN 21 Ca 0.08 -0.69 -0.42 0.00 -0.03 0.00 0.00 54.58 53.51 3fw4 n ASN 21 Cb 0.51 -4.57 -0.03 0.00 -0.61 0.00 0.00 39.78 35.08 3fw4 n ASN 21 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3fw4 s PHE 22 N -3.44 1.71 -0.58 3.10 2.19 -1.24 -4.95 117.98 114.77 3fw4 s PHE 22 Ca 0.22 0.12 -0.19 0.00 0.33 0.00 0.00 56.93 57.41 3fw4 s PHE 22 Cb -0.10 -4.03 0.10 0.00 -1.31 0.00 0.00 43.02 37.68 3fw4 s PHE 22 CO 0.77 -4.17 0.69 -0.65 1.83 0.00 0.00 175.22 173.69 3fw4 s GLN 23 N 4.55 3.05 0.42 10.12 -1.52 -1.26 -4.79 119.66 130.24 3fw4 s GLN 23 Ca 0.80 -1.29 0.12 0.00 -1.95 0.00 0.00 55.36 53.04 3fw4 s GLN 23 Cb -0.34 -4.25 0.91 0.00 -0.22 0.00 0.00 33.01 29.11 3fw4 s GLN 23 CO 0.33 -1.50 1.97 0.38 -0.25 0.00 0.00 175.29 176.22 3fw4 h ASP 24 N 9.16 0.11 0.23 5.90 2.03 -2.00 -2.52 116.42 129.32 3fw4 h ASP 24 Ca -0.29 -0.02 -0.13 0.00 -0.73 0.00 0.00 57.03 55.86 3fw4 h ASP 24 Cb 1.09 -0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 39.55 3fw4 h ASP 24 CO 1.08 0.26 -0.48 -0.55 -1.03 0.00 0.00 179.24 178.53 3fw4 h ASN 25 N 0.11 0.32 1.57 4.15 -1.07 -2.00 -3.10 115.58 115.56 3fw4 h ASN 25 Ca 0.02 -0.15 0.00 0.00 0.07 0.00 0.00 56.30 56.24 3fw4 h ASN 25 Cb 0.32 -0.09 0.00 0.00 -2.07 0.00 0.00 38.32 36.48 3fw4 h ASN 25 CO 0.02 0.75 0.00 1.56 0.07 0.00 0.00 177.43 179.83 3fw4 h GLN 26 N 0.24 0.00 -0.00 4.14 4.20 -1.87 -3.19 115.11 118.62 3fw4 h GLN 26 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3fw4 h GLN 26 Cb 0.94 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.72 3fw4 h GLN 26 CO 0.08 0.00 -0.21 0.34 -0.67 0.00 0.00 178.83 178.37 3fw4 n PHE 27 N -2.85 0.00 -1.58 2.96 -0.00 -1.12 -4.84 117.46 110.03 3fw4 n PHE 27 Ca 0.03 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.14 3fw4 n PHE 27 Cb 0.43 -0.36 0.07 0.00 -0.00 0.00 0.00 39.48 39.63 3fw4 n PHE 27 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3fw4 s GLN 28 N -2.93 2.40 0.00 -4.13 -0.21 -1.21 -4.76 119.66 108.83 3fw4 s GLN 28 Ca 0.15 1.68 0.00 0.00 0.02 0.00 0.00 55.36 57.20 3fw4 s GLN 28 Cb 0.19 -1.87 0.00 0.00 1.00 0.00 0.00 33.01 32.32 3fw4 s GLN 28 CO 0.59 -1.62 0.00 0.41 -2.12 0.00 0.00 175.29 172.55 3fw4 n GLY 29 N 0.18 -0.64 3.72 3.09 0.00 0.87 -4.90 105.19 107.50 3fw4 n GLY 29 Ca 0.13 -2.19 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 3fw4 n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fw4 s LYS 30 N 0.00 4.49 -0.03 1.61 2.20 -1.26 -1.63 119.74 125.11 3fw4 s LYS 30 Ca 0.00 1.08 0.07 0.00 -0.36 0.00 0.00 55.97 56.76 3fw4 s LYS 30 Cb 0.00 -3.44 -0.01 0.00 -1.51 0.00 0.00 37.83 32.86 3fw4 s LYS 30 CO 0.00 0.05 -0.24 -1.58 -0.36 0.00 0.00 175.35 173.22 3fw4 s TRP 31 N 0.76 2.23 0.08 4.03 0.52 -0.05 -4.78 118.94 121.73 3fw4 s TRP 31 Ca 0.42 -0.53 -0.18 0.00 0.02 0.00 0.00 56.10 55.84 3fw4 s TRP 31 Cb -0.19 -1.45 -0.07 0.00 -1.15 0.00 0.00 33.47 30.61 3fw4 s TRP 31 CO 0.22 -0.11 0.55 0.71 0.02 0.00 0.00 176.95 178.34 3fw4 s TYR 32 N -0.38 3.76 -0.87 -1.98 2.02 0.14 -0.77 117.35 119.28 3fw4 s TYR 32 Ca 0.04 1.21 -0.22 0.00 -0.37 0.00 0.00 57.07 57.73 3fw4 s TYR 32 Cb -0.11 -2.45 0.09 0.00 -0.40 0.00 0.00 41.96 39.08 3fw4 s TYR 32 CO 0.01 0.56 1.19 0.08 -1.57 0.00 0.00 175.55 175.82 3fw4 s VAL 33 N -1.17 4.32 -0.28 0.71 1.01 -0.38 -0.04 120.40 124.57 3fw4 s VAL 33 Ca 0.30 -0.87 0.21 0.00 0.00 0.00 0.00 61.98 61.62 3fw4 s VAL 33 Cb -0.18 -4.84 0.09 0.00 0.00 0.00 0.00 36.38 31.44 3fw4 s VAL 33 CO 0.18 -1.64 1.22 -0.37 0.00 0.00 0.00 175.10 174.49 3fw4 h VAL 34 N 6.14 0.13 -3.40 2.92 -1.51 -1.37 -3.40 116.25 115.76 3fw4 h VAL 34 Ca 0.02 -1.22 -0.16 0.00 -1.23 0.00 0.00 66.70 64.10 3fw4 h VAL 34 Cb 1.03 1.79 -0.23 0.00 -2.13 0.00 0.00 31.29 31.76 3fw4 h VAL 34 CO 1.23 0.08 -0.49 -0.83 -1.23 0.00 0.00 177.57 176.32 3fw4 s GLY 35 N -4.38 -0.04 -0.03 5.19 0.00 -0.96 -3.82 107.32 103.28 3fw4 s GLY 35 Ca 0.02 0.16 -0.00 0.00 0.00 0.00 0.00 44.72 44.90 3fw4 s GLY 35 CO 0.75 0.05 0.02 1.08 0.00 0.00 0.00 173.10 175.00 3fw4 s LEU 36 N -0.73 0.98 0.01 0.66 1.43 0.92 -0.38 118.68 121.57 3fw4 s LEU 36 Ca -0.08 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 3fw4 s LEU 36 Cb -0.05 -0.15 -0.01 0.00 0.03 0.00 0.00 46.19 46.01 3fw4 s LEU 36 CO 0.01 -0.14 -0.02 0.00 0.23 0.00 0.00 176.35 176.43 3fw4 s ALA 37 N 1.22 0.13 0.00 4.21 0.00 -0.18 0.24 121.76 127.38 3fw4 s ALA 37 Ca -0.07 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.53 3fw4 s ALA 37 Cb -0.13 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.06 3fw4 s ALA 37 CO -0.03 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.08 3fw4 n GLY 38 N 2.24 1.36 0.18 0.00 0.00 -0.96 0.48 105.19 108.50 3fw4 n GLY 38 Ca -0.19 -0.95 0.14 0.00 0.00 0.00 0.00 46.02 45.03 3fw4 n GLY 38 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3fw4 h ASN 39 N 0.00 0.00 -0.02 1.61 -1.07 -1.81 -2.54 115.58 111.75 3fw4 h ASN 39 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3fw4 h ASN 39 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 3fw4 h ASN 39 CO 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 177.43 177.44 3fw4 n ALA 40 N -1.90 2.59 -2.61 4.14 0.00 -1.26 -4.65 120.51 116.82 3fw4 n ALA 40 Ca 0.02 -0.62 -0.40 0.00 0.00 0.00 0.00 53.44 52.44 3fw4 n ALA 40 Cb 0.30 -0.58 -0.07 0.00 0.00 0.00 0.00 19.45 19.10 3fw4 n ALA 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fw4 s ILE 41 N -1.52 5.03 -0.09 0.00 -1.09 -0.96 -5.06 121.20 117.51 3fw4 s ILE 41 Ca 0.19 0.84 0.04 0.00 -2.23 0.00 0.00 60.65 59.49 3fw4 s ILE 41 Cb 0.14 -3.89 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 3fw4 s ILE 41 CO 0.25 -0.00 -0.23 -0.76 -1.23 0.00 0.00 174.94 172.97 3fw4 s LEU 42 N 2.40 2.04 0.29 2.97 2.01 -1.26 -4.28 118.68 122.85 3fw4 s LEU 42 Ca 0.22 -0.52 -0.29 0.00 0.01 0.00 0.00 54.13 53.55 3fw4 s LEU 42 Cb -0.15 -1.34 -0.10 0.00 0.01 0.00 0.00 46.19 44.61 3fw4 s LEU 42 CO 0.10 0.15 1.31 -0.60 1.01 0.00 0.00 176.35 178.32 3fw4 s ARG 43 N 0.33 4.37 -0.18 1.70 3.52 -0.60 -5.03 118.95 123.06 3fw4 s ARG 43 Ca -0.17 2.16 -0.04 0.00 -0.13 0.00 0.00 55.73 57.55 3fw4 s ARG 43 Cb -0.17 -3.11 0.08 0.00 -1.56 0.00 0.00 34.95 30.19 3fw4 s ARG 43 CO 0.08 -0.20 0.18 -1.83 -0.81 0.00 0.00 175.30 172.72 3fw4 s GLU 44 N -1.23 0.14 0.13 5.12 -1.05 -1.26 -5.02 118.70 115.54 3fw4 s GLU 44 Ca 0.52 0.20 0.26 0.00 -0.15 0.00 0.00 54.97 55.80 3fw4 s GLU 44 Cb -0.39 -1.19 0.80 0.00 -0.44 0.00 0.00 34.13 32.92 3fw4 s GLU 44 CO 0.48 -0.60 1.71 -0.25 0.95 0.00 0.00 175.26 177.54 3fw4 n ASP 45 N 5.31 0.60 -0.14 0.83 8.00 -1.26 -2.12 116.55 127.78 3fw4 n ASP 45 Ca -0.06 0.43 -0.12 0.00 0.71 0.00 0.00 54.79 55.75 3fw4 n ASP 45 Cb 0.49 -0.50 -0.01 0.00 -0.02 0.00 0.00 41.12 41.08 3fw4 n ASP 45 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3fw4 h LYS 46 N 0.00 0.94 -1.96 -1.24 6.56 -2.04 -3.39 116.57 115.45 3fw4 h LYS 46 Ca 0.00 -0.45 -0.45 0.00 -1.06 0.00 0.00 60.65 58.69 3fw4 h LYS 46 Cb 0.67 -0.01 -0.31 0.00 -0.57 0.00 0.00 32.23 32.01 3fw4 h LYS 46 CO 0.00 1.11 -0.81 0.16 -2.06 0.00 0.00 179.45 177.85 3fw4 s ASP 47 N -6.75 0.64 0.28 0.86 1.47 -1.22 -5.14 116.67 106.81 3fw4 s ASP 47 Ca -0.11 -2.54 -0.29 0.00 1.18 0.00 0.00 52.55 50.78 3fw4 s ASP 47 Cb 0.11 0.30 -0.14 0.00 -0.34 0.00 0.00 42.92 42.86 3fw4 s ASP 47 CO 0.87 -0.15 1.21 -2.65 0.68 0.00 0.00 175.17 175.13 3fw4 n PRO 48 N 3.03 1.74 -2.01 2.11 -0.02 -0.90 -4.82 135.00 134.12 3fw4 n PRO 48 Ca 0.24 0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 61.92 3fw4 n PRO 48 Cb 0.50 -2.13 -0.02 0.00 -0.02 0.00 0.00 33.50 31.82 3fw4 n PRO 48 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3fw4 s GLN 49 N -1.23 4.26 0.29 -0.52 0.74 -1.26 -4.89 119.66 117.06 3fw4 s GLN 49 Ca 0.62 2.30 -0.21 0.00 0.05 0.00 0.00 55.36 58.12 3fw4 s GLN 49 Cb -0.67 -3.12 -0.09 0.00 1.10 0.00 0.00 33.01 30.23 3fw4 s GLN 49 CO 0.57 -0.44 0.81 0.15 -0.55 0.00 0.00 175.29 175.83 3fw4 s LYS 50 N -0.13 4.30 0.36 1.67 1.02 -1.26 -1.72 119.74 123.97 3fw4 s LYS 50 Ca 0.61 0.99 -0.28 0.00 0.02 0.00 0.00 55.97 57.30 3fw4 s LYS 50 Cb -0.42 -2.70 -0.11 0.00 -0.52 0.00 0.00 37.83 34.08 3fw4 s LYS 50 CO 0.41 0.27 1.48 -0.12 -0.92 0.00 0.00 175.35 176.47 3fw4 n MET 51 N 0.33 2.59 -4.47 1.68 0.00 -0.06 -4.72 117.12 112.48 3fw4 n MET 51 Ca 0.01 0.91 -0.22 0.00 -0.00 0.00 0.00 57.70 58.40 3fw4 n MET 51 Cb 0.51 -2.63 -0.11 0.00 0.00 0.00 0.00 33.22 31.00 3fw4 n MET 51 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 175.97 177.49 3fw4 s TYR 52 N -0.90 2.00 0.12 1.12 1.13 -1.26 -4.70 117.35 114.86 3fw4 s TYR 52 Ca 0.56 -0.95 0.07 0.00 -1.41 0.00 0.00 57.07 55.34 3fw4 s TYR 52 Cb -0.50 -1.32 -0.04 0.00 -1.10 0.00 0.00 41.96 39.01 3fw4 s TYR 52 CO 0.61 0.03 -0.18 0.00 -2.51 0.00 0.00 175.55 173.50 3fw4 s ALA 53 N -3.25 1.74 -0.05 9.51 0.00 -1.01 -1.25 121.76 127.45 3fw4 s ALA 53 Ca 0.36 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 51.02 3fw4 s ALA 53 Cb 0.09 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.06 3fw4 s ALA 53 CO 0.16 0.24 -0.06 0.99 0.00 0.00 0.00 175.76 177.09 3fw4 s THR 54 N -1.70 0.66 -0.21 0.00 2.01 0.05 -1.54 115.64 114.92 3fw4 s THR 54 Ca 0.09 -0.18 -0.05 0.00 0.31 0.00 0.00 61.69 61.85 3fw4 s THR 54 Cb -0.07 -0.67 -0.02 0.00 0.01 0.00 0.00 72.50 71.74 3fw4 s THR 54 CO 0.05 0.26 0.01 -0.63 -0.69 0.00 0.00 174.62 173.61 3fw4 s ILE 55 N 0.95 4.00 -0.25 1.82 1.09 0.17 -0.88 121.20 128.11 3fw4 s ILE 55 Ca -0.10 -0.29 -0.09 0.00 -1.10 0.00 0.00 60.65 59.06 3fw4 s ILE 55 Cb -0.14 -2.82 -0.04 0.00 -1.06 0.00 0.00 42.46 38.39 3fw4 s ILE 55 CO 0.00 0.41 0.13 -0.31 -0.10 0.00 0.00 174.94 175.07 3fw4 s TYR 56 N 1.13 3.19 -0.13 3.97 2.02 -0.64 -1.61 117.35 125.28 3fw4 s TYR 56 Ca 0.03 -0.05 0.01 0.00 -0.37 0.00 0.00 57.07 56.69 3fw4 s TYR 56 Cb -0.14 -2.27 0.02 0.00 -0.40 0.00 0.00 41.96 39.17 3fw4 s TYR 56 CO 0.02 -0.14 -0.13 -1.21 -1.57 0.00 0.00 175.55 172.51 3fw4 s GLU 57 N 1.39 2.15 0.12 -0.62 2.02 -0.83 -0.09 118.70 122.84 3fw4 s GLU 57 Ca 0.06 -0.51 -0.30 0.00 0.02 0.00 0.00 54.97 54.24 3fw4 s GLU 57 Cb -0.15 -1.95 -0.07 0.00 0.10 0.00 0.00 34.13 32.06 3fw4 s GLU 57 CO 0.06 -0.19 1.24 -0.51 0.02 0.00 0.00 175.26 175.88 3fw4 s LEU 58 N 1.37 4.40 0.74 1.80 1.43 -1.26 -0.53 118.68 126.63 3fw4 s LEU 58 Ca 0.01 2.16 -0.02 0.00 -1.03 0.00 0.00 54.13 55.26 3fw4 s LEU 58 Cb -0.13 -3.59 0.13 0.00 0.03 0.00 0.00 46.19 42.63 3fw4 s LEU 58 CO -0.08 -0.47 1.02 -0.54 0.23 0.00 0.00 176.35 176.51 3fw4 s LYS 59 N 0.57 1.60 0.32 1.70 1.02 0.44 -4.92 119.74 120.47 3fw4 s LYS 59 Ca 0.58 -1.03 0.00 0.00 0.02 0.00 0.00 55.97 55.54 3fw4 s LYS 59 Cb -0.32 -2.28 0.55 0.00 -0.52 0.00 0.00 37.83 35.25 3fw4 s LYS 59 CO 0.32 -1.53 1.98 1.05 -0.92 0.00 0.00 175.35 176.26 3fw4 h GLU 60 N -0.63 0.96 -0.67 1.68 -0.00 -1.97 -2.41 114.58 111.55 3fw4 h GLU 60 Ca -0.37 -0.06 0.00 0.00 -0.00 0.00 0.00 59.36 58.93 3fw4 h GLU 60 Cb 1.27 -0.22 0.00 0.00 -0.00 0.00 0.00 28.75 29.80 3fw4 h GLU 60 CO 0.40 0.63 0.00 -0.40 -0.00 0.00 0.00 179.01 179.65 3fw4 n ASP 61 N -4.43 2.23 -0.02 3.06 5.75 -1.26 -4.89 116.55 116.99 3fw4 n ASP 61 Ca 0.09 -2.22 -0.00 0.00 -0.01 0.00 0.00 54.79 52.65 3fw4 n ASP 61 Cb 0.06 -0.44 -0.00 0.00 -1.03 0.00 0.00 41.12 39.71 3fw4 n ASP 61 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3fw4 n LYS 62 N 0.23 -0.96 -3.44 0.11 4.01 -0.91 -4.98 118.16 112.22 3fw4 n LYS 62 Ca 0.09 0.26 -0.30 0.00 -0.51 0.00 0.00 58.31 57.85 3fw4 n LYS 62 Cb 0.46 -3.99 -0.04 0.00 -0.51 0.00 0.00 35.03 30.95 3fw4 n LYS 62 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 3fw4 s SER 63 N -2.03 6.52 0.00 4.39 0.01 -1.26 -4.66 113.70 116.67 3fw4 s SER 63 Ca 0.00 0.76 -0.20 0.00 1.31 0.00 0.00 55.95 57.82 3fw4 s SER 63 Cb 0.00 -2.16 -0.05 0.00 0.21 0.00 0.00 66.02 64.02 3fw4 s SER 63 CO 0.00 -0.10 0.58 -0.31 0.41 0.00 0.00 173.24 173.83 3fw4 s TYR 64 N -1.89 3.69 -0.33 2.43 1.51 -0.61 -0.42 117.35 121.73 3fw4 s TYR 64 Ca 0.44 1.19 -0.20 0.00 -1.01 0.00 0.00 57.07 57.50 3fw4 s TYR 64 Cb -0.11 -2.59 -0.00 0.00 -0.11 0.00 0.00 41.96 39.15 3fw4 s TYR 64 CO 0.26 0.38 0.62 1.21 -1.11 0.00 0.00 175.55 176.91 3fw4 s ASN 65 N -0.30 6.45 -0.36 2.29 3.04 0.31 -1.73 114.94 124.63 3fw4 s ASN 65 Ca 0.30 0.27 -0.05 0.00 0.04 0.00 0.00 52.86 53.43 3fw4 s ASN 65 Cb -0.18 -2.32 0.07 0.00 -1.54 0.00 0.00 41.25 37.28 3fw4 s ASN 65 CO 0.17 -0.52 0.14 -0.69 -3.04 0.00 0.00 177.10 173.15 3fw4 s VAL 66 N 2.63 3.53 -0.17 -5.21 1.01 0.10 -1.96 120.40 120.32 3fw4 s VAL 66 Ca 0.24 -1.51 -0.04 0.00 0.00 0.00 0.00 61.98 60.68 3fw4 s VAL 66 Cb -0.15 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 3fw4 s VAL 66 CO 0.13 -0.37 -0.03 -0.89 0.00 0.00 0.00 175.10 173.95 3fw4 s THR 67 N 1.30 3.85 0.11 3.92 2.01 -0.64 -1.07 115.64 125.11 3fw4 s THR 67 Ca 0.01 -0.36 0.09 0.00 0.31 0.00 0.00 61.69 61.74 3fw4 s THR 67 Cb -0.21 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 3fw4 s THR 67 CO -0.00 0.47 -0.22 -0.44 -0.69 0.00 0.00 174.62 173.74 3fw4 s SER 68 N 0.64 3.62 -0.02 3.53 0.01 -0.43 0.45 113.70 121.50 3fw4 s SER 68 Ca -0.02 -0.61 0.01 0.00 1.31 0.00 0.00 55.95 56.65 3fw4 s SER 68 Cb -0.14 -0.42 0.01 0.00 0.21 0.00 0.00 66.02 65.67 3fw4 s SER 68 CO 0.02 0.20 -0.05 0.54 0.41 0.00 0.00 173.24 174.36 3fw4 s VAL 69 N -1.06 0.47 0.08 3.43 0.11 -0.59 -1.43 120.40 121.42 3fw4 s VAL 69 Ca 0.16 -0.17 0.04 0.00 -2.93 0.00 0.00 61.98 59.07 3fw4 s VAL 69 Cb -0.10 -0.46 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 3fw4 s VAL 69 CO 0.07 0.17 -0.10 -1.48 -3.33 0.00 0.00 175.10 170.43 3fw4 s LEU 70 N 0.40 2.35 -0.43 2.54 0.05 -0.71 -2.40 118.68 120.49 3fw4 s LEU 70 Ca -0.05 -0.73 -0.19 0.00 0.05 0.00 0.00 54.13 53.21 3fw4 s LEU 70 Cb -0.09 -0.31 0.02 0.00 -2.05 0.00 0.00 46.19 43.76 3fw4 s LEU 70 CO -0.00 -0.22 0.56 0.12 -0.55 0.00 0.00 176.35 176.26 3fw4 s PHE 71 N -2.02 3.11 -0.05 3.48 5.36 -1.26 -0.77 117.98 125.83 3fw4 s PHE 71 Ca 0.01 -0.15 -0.03 0.00 -0.96 0.00 0.00 56.93 55.81 3fw4 s PHE 71 Cb -0.06 -3.16 0.03 0.00 -0.34 0.00 0.00 43.02 39.49 3fw4 s PHE 71 CO 0.00 -0.79 0.12 0.50 -1.46 0.00 0.00 175.22 173.60 3fw4 s ARG 72 N 2.55 0.09 -1.41 10.12 3.52 -0.07 -4.89 118.95 128.86 3fw4 s ARG 72 Ca 0.19 0.27 -0.07 0.00 -0.13 0.00 0.00 55.73 55.98 3fw4 s ARG 72 Cb -0.15 -0.10 0.04 0.00 -1.56 0.00 0.00 34.95 33.18 3fw4 s ARG 72 CO 0.17 -0.11 0.91 1.63 -0.81 0.00 0.00 175.30 177.08 3fw4 n LYS 73 N 3.77 -5.68 -1.05 5.12 5.02 -1.26 -1.46 118.16 122.62 3fw4 n LYS 73 Ca -0.21 0.65 -0.02 0.00 -2.02 0.00 0.00 58.31 56.71 3fw4 n LYS 73 Cb 0.54 -5.45 -0.01 0.00 -0.02 0.00 0.00 35.03 30.10 3fw4 n LYS 73 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3fw4 n LYS 74 N -4.55 -1.57 -4.26 1.97 5.02 -1.26 -4.97 118.16 108.54 3fw4 n LYS 74 Ca -0.10 0.47 -0.14 0.00 -2.02 0.00 0.00 58.31 56.52 3fw4 n LYS 74 Cb 0.59 -4.69 -0.10 0.00 -0.02 0.00 0.00 35.03 30.82 3fw4 n LYS 74 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3fw4 s LYS 75 N -1.80 1.09 -0.25 1.97 1.02 -0.54 -5.13 119.74 116.11 3fw4 s LYS 75 Ca 0.00 -1.49 -0.19 0.00 0.02 0.00 0.00 55.97 54.32 3fw4 s LYS 75 Cb 0.00 -0.55 -0.03 0.00 -0.52 0.00 0.00 37.83 36.73 3fw4 s LYS 75 CO 0.00 0.02 0.55 0.00 -0.92 0.00 0.00 175.35 175.00 3fw4 s ASP 77 N 1.47 5.58 -0.06 0.00 -0.00 0.06 -4.94 116.67 118.77 3fw4 s ASP 77 Ca 0.23 -0.19 -0.04 0.00 -0.00 0.00 0.00 52.55 52.56 3fw4 s ASP 77 Cb -0.16 -2.02 -0.04 0.00 -0.00 0.00 0.00 42.92 40.71 3fw4 s ASP 77 CO 0.09 -0.07 0.12 -0.31 -0.00 0.00 0.00 175.17 175.00 3fw4 s TYR 78 N 1.68 3.46 -0.05 4.23 2.02 -1.26 -1.73 117.35 125.69 3fw4 s TYR 78 Ca 0.06 0.37 -0.05 0.00 -0.37 0.00 0.00 57.07 57.08 3fw4 s TYR 78 Cb -0.16 -1.84 0.01 0.00 -0.40 0.00 0.00 41.96 39.57 3fw4 s TYR 78 CO 0.07 0.64 0.15 1.67 -1.57 0.00 0.00 175.55 176.51 3fw4 s TRP 79 N -1.13 -0.15 0.02 2.71 -2.14 -0.51 -5.00 118.94 112.74 3fw4 s TRP 79 Ca 0.20 0.37 0.08 0.00 2.66 0.00 0.00 56.10 59.41 3fw4 s TRP 79 Cb -0.12 0.05 -0.03 0.00 -3.10 0.00 0.00 33.47 30.27 3fw4 s TRP 79 CO 0.10 -0.09 -0.22 0.42 -2.66 0.00 0.00 176.95 174.50 3fw4 s ILE 80 N 0.02 2.44 0.10 0.66 1.01 -1.26 -1.31 121.20 122.85 3fw4 s ILE 80 Ca -0.01 -1.21 -0.12 0.00 0.00 0.00 0.00 60.65 59.32 3fw4 s ILE 80 Cb -0.01 -1.96 0.01 0.00 0.01 0.00 0.00 42.46 40.51 3fw4 s ILE 80 CO 0.00 0.41 0.28 0.00 0.00 0.00 0.00 174.94 175.64 3fw4 s ARG 81 N -1.15 0.92 -0.19 2.79 1.70 -0.23 -5.00 118.95 117.79 3fw4 s ARG 81 Ca 0.12 -0.81 -0.03 0.00 -0.47 0.00 0.00 55.73 54.54 3fw4 s ARG 81 Cb -0.10 0.39 -0.01 0.00 -0.57 0.00 0.00 34.95 34.65 3fw4 s ARG 81 CO 0.02 -0.32 -0.06 0.99 -1.08 0.00 0.00 175.30 174.85 3fw4 s THR 82 N -3.70 3.43 -0.36 4.99 2.01 -1.26 0.02 115.64 120.76 3fw4 s THR 82 Ca 0.03 -0.50 -0.15 0.00 0.31 0.00 0.00 61.69 61.39 3fw4 s THR 82 Cb 0.03 -2.52 -0.00 0.00 0.01 0.00 0.00 72.50 70.02 3fw4 s THR 82 CO -0.11 0.46 0.33 -0.36 -0.69 0.00 0.00 174.62 174.25 3fw4 s PHE 83 N 0.98 3.21 -0.07 4.92 2.99 -0.71 -0.63 117.98 128.67 3fw4 s PHE 83 Ca -0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 56.93 56.54 3fw4 s PHE 83 Cb -0.15 -2.64 -0.05 0.00 0.00 0.00 0.00 43.02 40.19 3fw4 s PHE 83 CO 0.00 -0.47 0.47 0.08 -0.00 0.00 0.00 175.22 175.30 3fw4 s VAL 84 N 1.90 5.10 0.15 -0.44 1.01 0.11 -1.57 120.40 126.67 3fw4 s VAL 84 Ca 0.09 0.95 -0.34 0.00 0.00 0.00 0.00 61.98 62.68 3fw4 s VAL 84 Cb -0.17 -3.80 -0.15 0.00 0.00 0.00 0.00 36.38 32.26 3fw4 s VAL 84 CO 0.11 0.41 1.46 -2.65 0.00 0.00 0.00 175.10 174.43 3fw4 n PRO 85 N 3.04 1.79 0.00 2.72 -0.02 -1.26 -0.93 135.00 140.33 3fw4 n PRO 85 Ca -0.09 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3fw4 n PRO 85 Cb 0.52 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3fw4 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fw4 n GLY 86 N 2.90 1.56 0.26 -1.23 0.00 0.80 -4.76 105.19 104.73 3fw4 n GLY 86 Ca 0.17 -1.68 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 3fw4 n GLY 86 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fw4 h SER 87 N 0.00 0.95 -4.74 1.61 4.64 -1.94 -3.46 113.55 110.60 3fw4 h SER 87 Ca 0.00 -0.42 -0.24 0.00 -0.47 0.00 0.00 61.79 60.66 3fw4 h SER 87 Cb 0.00 -0.27 -0.18 0.00 -0.31 0.00 0.00 62.40 61.64 3fw4 h SER 87 CO 0.00 1.20 -0.72 0.00 -0.87 0.00 0.00 176.83 176.45 3fw4 s GLN 88 N -4.43 0.64 0.24 4.77 -2.07 -1.26 -5.10 119.66 112.44 3fw4 s GLN 88 Ca -0.11 -0.99 -0.31 0.00 -1.82 0.00 0.00 55.36 52.13 3fw4 s GLN 88 Cb 0.12 -0.21 -0.13 0.00 -1.09 0.00 0.00 33.01 31.70 3fw4 s GLN 88 CO 0.87 0.01 1.58 -2.30 -1.32 0.00 0.00 175.29 174.13 3fw4 n PRO 89 N 0.83 2.47 -0.34 9.60 -0.02 -1.26 -1.81 135.00 144.47 3fw4 n PRO 89 Ca -0.18 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3fw4 n PRO 89 Cb 0.57 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3fw4 n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fw4 n GLY 90 N 2.79 0.75 3.19 -1.23 0.00 -1.26 -4.65 105.19 104.78 3fw4 n GLY 90 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 3fw4 n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fw4 s GLU 91 N -0.66 1.67 0.06 1.61 2.12 -0.75 -0.76 118.70 121.99 3fw4 s GLU 91 Ca 0.00 -0.68 -0.04 0.00 0.36 0.00 0.00 54.97 54.61 3fw4 s GLU 91 Cb 0.00 -1.56 -0.02 0.00 0.26 0.00 0.00 34.13 32.81 3fw4 s GLU 91 CO 0.00 0.37 0.05 -0.06 -0.54 0.00 0.00 175.26 175.09 3fw4 s PHE 92 N -0.32 0.37 0.29 5.30 0.40 0.47 -0.14 117.98 124.35 3fw4 s PHE 92 Ca 0.04 -0.86 0.09 0.00 -0.60 0.00 0.00 56.93 55.60 3fw4 s PHE 92 Cb -0.09 -0.26 -0.06 0.00 0.51 0.00 0.00 43.02 43.13 3fw4 s PHE 92 CO 0.00 -0.43 -0.11 0.95 0.70 0.00 0.00 175.22 176.33 3fw4 s THR 93 N -3.78 2.02 -0.03 0.64 -4.23 -0.11 -0.32 115.64 109.83 3fw4 s THR 93 Ca 0.05 -2.22 -0.29 0.00 -1.18 0.00 0.00 61.69 58.05 3fw4 s THR 93 Cb 0.06 -2.43 -0.03 0.00 1.34 0.00 0.00 72.50 71.44 3fw4 s THR 93 CO -0.10 -0.33 0.94 -0.22 -0.54 0.00 0.00 174.62 174.38 3fw4 s LEU 94 N -3.49 4.34 0.36 4.79 2.96 -1.18 0.10 118.68 126.55 3fw4 s LEU 94 Ca 0.30 1.57 -0.25 0.00 -0.22 0.00 0.00 54.13 55.53 3fw4 s LEU 94 Cb 0.01 -3.49 -0.10 0.00 0.50 0.00 0.00 46.19 43.11 3fw4 s LEU 94 CO 0.13 -0.27 0.96 -0.83 -1.32 0.00 0.00 176.35 175.03 3fw4 s GLY 95 N 0.99 2.71 -1.19 7.98 0.00 0.20 -4.15 107.32 113.85 3fw4 s GLY 95 Ca 0.49 0.53 -0.04 0.00 0.00 0.00 0.00 44.72 45.70 3fw4 s GLY 95 CO 0.25 0.94 0.85 -2.01 0.00 0.00 0.00 173.10 173.13 3fw4 n ASN 96 N 0.22 -3.22 0.27 1.64 5.15 -1.26 -4.65 115.26 113.41 3fw4 n ASN 96 Ca 0.03 -0.76 0.12 0.00 -0.60 0.00 0.00 54.58 53.37 3fw4 n ASN 96 Cb 0.51 -4.55 0.75 0.00 -0.53 0.00 0.00 39.78 35.96 3fw4 n ASN 96 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 3fw4 h ILE 97 N -1.69 0.64 0.00 -1.44 2.10 -1.96 -2.27 117.51 112.88 3fw4 h ILE 97 Ca -0.61 -0.39 -0.02 0.00 1.08 0.00 0.00 64.86 64.92 3fw4 h ILE 97 Cb 1.34 1.24 -0.00 0.00 -1.09 0.00 0.00 36.82 38.31 3fw4 h ILE 97 CO 0.51 0.09 -0.09 0.11 -1.08 0.00 0.00 178.15 177.69 3fw4 h LYS 98 N 0.00 0.00 0.00 2.19 1.57 -1.90 -2.56 116.57 115.88 3fw4 h LYS 98 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fw4 h LYS 98 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3fw4 h LYS 98 CO 0.01 0.09 0.00 -1.13 -0.57 0.00 0.00 179.45 177.85 3fw4 n SER 99 N -3.48 0.00 -4.26 0.86 3.41 -0.85 -4.58 113.62 104.72 3fw4 n SER 99 Ca -0.02 0.10 -0.38 0.00 -0.26 0.00 0.00 58.87 58.31 3fw4 n SER 99 Cb 0.23 -0.35 -0.12 0.00 -0.26 0.00 0.00 64.21 63.72 3fw4 n SER 99 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3fw4 s TYR 100 N -2.69 3.31 0.20 7.33 1.51 -0.96 -5.08 117.35 120.96 3fw4 s TYR 100 Ca 0.19 -1.54 -0.32 0.00 -1.01 0.00 0.00 57.07 54.39 3fw4 s TYR 100 Cb 0.16 -2.57 -0.11 0.00 -0.11 0.00 0.00 41.96 39.32 3fw4 s TYR 100 CO 0.38 -0.79 1.65 -2.14 -1.11 0.00 0.00 175.55 173.55 3fw4 s PRO 101 N 1.39 4.16 0.00 -1.71 0.02 -1.26 -2.53 135.00 135.06 3fw4 s PRO 101 Ca 0.01 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.54 3fw4 s PRO 101 Cb -0.21 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.21 3fw4 s PRO 101 CO 0.02 -0.68 0.00 0.41 -0.33 0.00 0.00 177.00 176.42 3fw4 n GLY 102 N 3.72 1.98 3.60 0.52 0.00 -1.26 -4.90 105.19 108.85 3fw4 n GLY 102 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3fw4 n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fw4 s LEU 103 N 0.00 4.16 -0.00 0.99 2.96 -1.05 -1.01 118.68 124.73 3fw4 s LEU 103 Ca 0.00 0.38 0.10 0.00 -0.22 0.00 0.00 54.13 54.40 3fw4 s LEU 103 Cb 0.00 -2.78 -0.12 0.00 0.50 0.00 0.00 46.19 43.79 3fw4 s LEU 103 CO 0.00 -0.47 0.43 0.35 -1.32 0.00 0.00 176.35 175.34 3fw4 n THR 104 N 5.39 0.00 -3.62 3.68 -2.24 -0.76 -4.82 114.28 111.91 3fw4 n THR 104 Ca -0.02 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.38 3fw4 n THR 104 Cb 0.49 0.95 -0.07 0.00 -2.10 0.00 0.00 70.33 69.60 3fw4 n THR 104 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3fw4 s SER 105 N -2.08 -0.68 -0.29 3.42 0.15 -1.21 -4.95 113.70 108.05 3fw4 s SER 105 Ca 0.03 1.26 -0.06 0.00 0.70 0.00 0.00 55.95 57.88 3fw4 s SER 105 Cb 0.08 1.25 0.15 0.00 -1.71 0.00 0.00 66.02 65.79 3fw4 s SER 105 CO 0.43 -0.27 0.59 -0.47 1.20 0.00 0.00 173.24 174.72 3fw4 s TYR 106 N 0.16 -1.36 -0.02 3.44 6.14 -1.26 -1.35 117.35 123.10 3fw4 s TYR 106 Ca -0.01 1.93 0.05 0.00 0.64 0.00 0.00 57.07 59.68 3fw4 s TYR 106 Cb -0.04 0.62 -0.01 0.00 0.42 0.00 0.00 41.96 42.95 3fw4 s TYR 106 CO 0.01 -0.73 -0.17 -1.17 0.64 0.00 0.00 175.55 174.13 3fw4 s LEU 107 N 2.83 1.99 -0.05 6.97 2.96 0.31 -3.10 118.68 130.59 3fw4 s LEU 107 Ca 0.06 -0.31 0.05 0.00 -0.22 0.00 0.00 54.13 53.70 3fw4 s LEU 107 Cb -0.13 -0.89 -0.00 0.00 0.50 0.00 0.00 46.19 45.66 3fw4 s LEU 107 CO -0.19 0.19 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.14 3fw4 s VAL 108 N -0.27 1.68 -0.05 1.68 1.01 0.57 -0.33 120.40 124.70 3fw4 s VAL 108 Ca 0.04 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 3fw4 s VAL 108 Cb -0.08 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.89 3fw4 s VAL 108 CO 0.00 0.48 0.04 -0.60 0.00 0.00 0.00 175.10 175.02 3fw4 s ARG 109 N 0.03 0.09 -0.40 2.72 3.52 0.97 -0.40 118.95 125.48 3fw4 s ARG 109 Ca -0.06 0.30 -0.29 0.00 -0.13 0.00 0.00 55.73 55.56 3fw4 s ARG 109 Cb -0.13 -0.61 0.01 0.00 -1.56 0.00 0.00 34.95 32.67 3fw4 s ARG 109 CO 0.03 -0.31 1.33 0.08 -0.81 0.00 0.00 175.30 175.62 3fw4 s VAL 110 N 2.06 4.03 -0.04 7.11 1.01 0.06 0.40 120.40 135.03 3fw4 s VAL 110 Ca 0.04 1.08 -0.22 0.00 0.00 0.00 0.00 61.98 62.88 3fw4 s VAL 110 Cb -0.12 -4.28 -0.25 0.00 0.00 0.00 0.00 36.38 31.73 3fw4 s VAL 110 CO -0.03 -0.74 1.01 0.58 0.00 0.00 0.00 175.10 175.92 3fw4 h VAL 111 N 6.29 1.51 -2.33 2.92 2.07 -0.65 -0.48 116.25 125.59 3fw4 h VAL 111 Ca -0.26 -2.14 -0.03 0.00 0.82 0.00 0.00 66.70 65.08 3fw4 h VAL 111 Cb 1.09 2.83 -0.17 0.00 -1.52 0.00 0.00 31.29 33.53 3fw4 h VAL 111 CO 1.08 0.60 0.22 -0.94 0.02 0.00 0.00 177.57 178.56 3fw4 s SER 112 N -6.60 -0.61 -0.13 0.57 1.04 -1.10 -2.48 113.70 104.39 3fw4 s SER 112 Ca -0.15 0.43 -0.30 0.00 0.48 0.00 0.00 55.95 56.42 3fw4 s SER 112 Cb 0.02 0.54 0.12 0.00 0.10 0.00 0.00 66.02 66.80 3fw4 s SER 112 CO 0.79 -0.72 0.96 0.28 0.98 0.00 0.00 173.24 175.53 3fw4 s THR 113 N -2.13 0.00 -1.29 2.02 -1.32 -1.26 -0.13 115.64 111.53 3fw4 s THR 113 Ca -0.06 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.56 3fw4 s THR 113 Cb -0.00 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.34 3fw4 s THR 113 CO 0.01 0.00 1.28 -0.46 -2.21 0.00 0.00 174.62 173.24 3fw4 n ASN 114 N 0.59 3.06 0.00 8.08 6.94 -0.96 -5.01 115.26 127.96 3fw4 n ASN 114 Ca -0.10 -1.94 0.00 0.00 -0.02 0.00 0.00 54.58 52.51 3fw4 n ASN 114 Cb 0.58 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.75 3fw4 n ASN 114 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 3fw4 n TYR 115 N 0.82 0.00 0.05 -2.53 4.01 -1.25 -4.51 117.16 113.74 3fw4 n TYR 115 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 3fw4 n TYR 115 Cb 0.46 -0.19 -0.00 0.00 -0.31 0.00 0.00 39.34 39.30 3fw4 n TYR 115 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 3fw4 n ASN 116 N 0.12 0.31 0.01 7.72 0.23 -1.26 -4.84 115.26 117.55 3fw4 n ASN 116 Ca 0.00 -0.66 0.00 0.00 -0.53 0.00 0.00 54.58 53.39 3fw4 n ASN 116 Cb 0.00 0.75 0.00 0.00 -2.08 0.00 0.00 39.78 38.45 3fw4 n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fw4 n GLN 117 N -0.75 0.00 -4.10 -3.83 6.02 -1.26 -4.77 117.38 108.69 3fw4 n GLN 117 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 3fw4 n GLN 117 Cb 0.02 -0.11 -0.10 0.00 1.02 0.00 0.00 30.24 31.07 3fw4 n GLN 117 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 3fw4 s HIS 118 N -2.00 0.62 -0.06 1.08 -3.43 -1.26 0.17 115.29 110.41 3fw4 s HIS 118 Ca 0.00 -1.10 -0.31 0.00 -0.80 0.00 0.00 55.06 52.85 3fw4 s HIS 118 Cb 0.00 -0.40 0.08 0.00 -1.43 0.00 0.00 32.58 30.83 3fw4 s HIS 118 CO 0.00 -0.45 0.72 0.00 -2.00 0.00 0.00 174.74 173.01 3fw4 s ALA 119 N -3.97 -1.79 -0.09 -1.38 0.00 -0.72 -2.26 121.76 111.54 3fw4 s ALA 119 Ca 0.14 1.35 0.02 0.00 0.00 0.00 0.00 51.96 53.47 3fw4 s ALA 119 Cb 0.07 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.11 3fw4 s ALA 119 CO -0.05 -0.36 -0.17 -1.64 0.00 0.00 0.00 175.76 173.54 3fw4 s MET 120 N -1.20 2.28 -0.07 0.00 -1.94 0.82 0.35 119.30 119.55 3fw4 s MET 120 Ca -0.10 -0.60 0.03 0.00 -1.71 0.00 0.00 55.69 53.31 3fw4 s MET 120 Cb -0.00 -1.85 0.01 0.00 2.01 0.00 0.00 34.83 34.99 3fw4 s MET 120 CO 0.09 0.02 -0.15 0.08 -0.01 0.00 0.00 175.02 175.05 3fw4 s VAL 121 N 0.73 1.33 -0.16 -6.03 1.01 -0.96 -0.08 120.40 116.25 3fw4 s VAL 121 Ca -0.12 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.13 3fw4 s VAL 121 Cb -0.16 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 3fw4 s VAL 121 CO 0.02 0.40 0.25 0.12 0.00 0.00 0.00 175.10 175.89 3fw4 s PHE 122 N 0.52 3.47 -0.00 5.22 2.19 0.16 -1.65 117.98 127.89 3fw4 s PHE 122 Ca -0.14 0.54 0.08 0.00 0.33 0.00 0.00 56.93 57.74 3fw4 s PHE 122 Cb -0.16 -2.27 -0.02 0.00 -1.31 0.00 0.00 43.02 39.26 3fw4 s PHE 122 CO 0.04 0.30 -0.25 -0.06 1.83 0.00 0.00 175.22 177.08 3fw4 s PHE 123 N 0.29 2.35 -0.03 10.12 0.08 0.16 -0.02 117.98 130.93 3fw4 s PHE 123 Ca 0.15 -0.42 -0.00 0.00 0.12 0.00 0.00 56.93 56.78 3fw4 s PHE 123 Cb -0.13 -1.47 0.03 0.00 -0.57 0.00 0.00 43.02 40.88 3fw4 s PHE 123 CO 0.03 0.02 0.03 0.21 -0.10 0.00 0.00 175.22 175.41 3fw4 s LYS 124 N -0.81 0.03 0.04 0.44 2.20 0.55 -1.37 119.74 120.82 3fw4 s LYS 124 Ca 0.11 0.20 -0.03 0.00 -0.36 0.00 0.00 55.97 55.89 3fw4 s LYS 124 Cb -0.10 -0.36 -0.02 0.00 -1.51 0.00 0.00 37.83 35.84 3fw4 s LYS 124 CO 0.00 -0.20 0.03 -1.59 -0.36 0.00 0.00 175.35 173.23 3fw4 s LYS 125 N 1.29 0.51 -0.24 4.03 -2.85 0.02 0.11 119.74 122.61 3fw4 s LYS 125 Ca -0.06 -0.82 0.00 0.00 -1.00 0.00 0.00 55.97 54.09 3fw4 s LYS 125 Cb -0.13 0.19 0.04 0.00 -2.06 0.00 0.00 37.83 35.87 3fw4 s LYS 125 CO -0.03 -0.11 -0.09 0.08 0.10 0.00 0.00 175.35 175.30 3fw4 s VAL 126 N -2.58 2.53 -0.09 1.79 1.01 -0.46 -0.22 120.40 122.39 3fw4 s VAL 126 Ca -0.05 -1.23 0.02 0.00 0.00 0.00 0.00 61.98 60.71 3fw4 s VAL 126 Cb -0.02 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 34.05 3fw4 s VAL 126 CO -0.05 0.16 -0.12 -0.55 0.00 0.00 0.00 175.10 174.54 3fw4 s SER 127 N 1.24 2.03 -1.46 3.32 0.15 -0.35 -1.83 113.70 116.80 3fw4 s SER 127 Ca -0.02 -0.33 -0.09 0.00 0.70 0.00 0.00 55.95 56.20 3fw4 s SER 127 Cb -0.17 -0.90 0.06 0.00 -1.71 0.00 0.00 66.02 63.30 3fw4 s SER 127 CO -0.06 -0.00 0.90 0.00 1.20 0.00 0.00 173.24 175.29 3fw4 n GLN 128 N 4.13 -5.43 -1.17 5.44 3.00 -0.18 -1.70 117.38 121.48 3fw4 n GLN 128 Ca -0.20 0.61 -0.06 0.00 -0.01 0.00 0.00 57.00 57.35 3fw4 n GLN 128 Cb 0.51 -5.40 -0.02 0.00 0.00 0.00 0.00 30.24 25.32 3fw4 n GLN 128 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3fw4 n ASN 129 N -2.91 -5.73 -4.55 1.08 5.03 -1.26 -4.98 115.26 101.94 3fw4 n ASN 129 Ca -0.06 0.14 -0.34 0.00 0.87 0.00 0.00 54.58 55.19 3fw4 n ASN 129 Cb 0.57 -3.73 -0.11 0.00 -1.02 0.00 0.00 39.78 35.49 3fw4 n ASN 129 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3fw4 s ARG 130 N -2.42 3.46 -0.37 3.52 0.52 -0.69 -5.08 118.95 117.89 3fw4 s ARG 130 Ca 0.00 -0.49 -0.18 0.00 -0.52 0.00 0.00 55.73 54.54 3fw4 s ARG 130 Cb 0.00 -2.87 0.00 0.00 0.52 0.00 0.00 34.95 32.60 3fw4 s ARG 130 CO 0.00 0.38 0.51 -2.00 0.02 0.00 0.00 175.30 174.21 3fw4 s GLU 131 N -0.01 3.49 0.02 3.54 2.12 -1.26 -1.21 118.70 125.38 3fw4 s GLU 131 Ca 0.01 -0.31 0.02 0.00 0.36 0.00 0.00 54.97 55.06 3fw4 s GLU 131 Cb -0.13 -3.85 -0.04 0.00 0.26 0.00 0.00 34.13 30.37 3fw4 s GLU 131 CO 0.02 -0.71 0.01 0.71 -0.54 0.00 0.00 175.26 174.75 3fw4 s TYR 132 N 2.38 3.08 0.04 5.30 1.51 0.69 -4.68 117.35 125.66 3fw4 s TYR 132 Ca 0.18 0.07 0.00 0.00 -1.01 0.00 0.00 57.07 56.31 3fw4 s TYR 132 Cb -0.16 -1.65 -0.03 0.00 -0.11 0.00 0.00 41.96 40.02 3fw4 s TYR 132 CO 0.14 0.47 -0.04 -0.59 -1.11 0.00 0.00 175.55 174.42 3fw4 s PHE 133 N -1.15 0.44 0.06 2.71 -0.71 -1.26 -0.80 117.98 117.27 3fw4 s PHE 133 Ca 0.21 -0.68 -0.14 0.00 -1.04 0.00 0.00 56.93 55.29 3fw4 s PHE 133 Cb -0.12 -0.30 0.02 0.00 -1.21 0.00 0.00 43.02 41.42 3fw4 s PHE 133 CO 0.12 -0.21 0.31 -1.59 -1.34 0.00 0.00 175.22 172.51 3fw4 s LYS 134 N -2.21 0.86 -0.09 1.99 -2.85 -0.47 -2.54 119.74 114.44 3fw4 s LYS 134 Ca -0.08 -0.59 0.04 0.00 -1.00 0.00 0.00 55.97 54.35 3fw4 s LYS 134 Cb -0.05 0.37 -0.00 0.00 -2.06 0.00 0.00 37.83 36.09 3fw4 s LYS 134 CO -0.03 -0.29 -0.23 0.42 0.10 0.00 0.00 175.35 175.32 3fw4 s ILE 135 N -2.91 1.98 -0.14 3.79 1.09 0.18 -0.66 121.20 124.52 3fw4 s ILE 135 Ca -0.02 -0.99 -0.03 0.00 -1.10 0.00 0.00 60.65 58.50 3fw4 s ILE 135 Cb 0.00 -1.71 -0.03 0.00 -1.06 0.00 0.00 42.46 39.67 3fw4 s ILE 135 CO -0.06 0.55 -0.04 0.28 -0.10 0.00 0.00 174.94 175.57 3fw4 s THR 136 N 0.22 3.90 -0.45 2.92 -1.32 -0.66 -1.01 115.64 119.24 3fw4 s THR 136 Ca -0.14 -0.36 -0.20 0.00 -1.21 0.00 0.00 61.69 59.78 3fw4 s THR 136 Cb -0.17 -2.69 0.03 0.00 -1.51 0.00 0.00 72.50 68.16 3fw4 s THR 136 CO 0.07 0.51 0.59 -0.22 -2.21 0.00 0.00 174.62 173.37 3fw4 s LEU 137 N 0.14 4.67 0.04 9.08 0.20 0.49 -2.25 118.68 131.04 3fw4 s LEU 137 Ca -0.01 -0.53 -0.17 0.00 0.69 0.00 0.00 54.13 54.11 3fw4 s LEU 137 Cb -0.14 -2.60 -0.06 0.00 -0.43 0.00 0.00 46.19 42.97 3fw4 s LEU 137 CO 0.03 -0.76 0.50 -0.31 -0.29 0.00 0.00 176.35 175.52 3fw4 s TYR 138 N 2.64 3.77 -0.02 5.38 2.02 0.16 -0.96 117.35 130.33 3fw4 s TYR 138 Ca 0.19 1.15 0.05 0.00 -0.37 0.00 0.00 57.07 58.09 3fw4 s TYR 138 Cb -0.16 -2.42 -0.01 0.00 -0.40 0.00 0.00 41.96 38.98 3fw4 s TYR 138 CO 0.16 0.60 -0.17 0.20 -1.57 0.00 0.00 175.55 174.78 3fw4 s GLY 139 N -1.05 0.84 0.20 0.71 0.00 0.94 -1.76 107.32 107.21 3fw4 s GLY 139 Ca 0.27 -0.69 0.04 0.00 0.00 0.00 0.00 44.72 44.34 3fw4 s GLY 139 CO 0.17 -0.49 1.47 -0.09 0.00 0.00 0.00 173.10 174.16 3fw4 h ARG 140 N 5.94 0.19 -6.02 2.90 9.65 -0.57 0.41 114.38 126.88 3fw4 h ARG 140 Ca -0.35 -0.17 -0.54 0.00 -1.10 0.00 0.00 59.98 57.83 3fw4 h ARG 140 Cb 1.16 0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 29.73 3fw4 h ARG 140 CO 0.48 0.84 -0.39 0.95 2.80 0.00 0.00 179.97 184.65 3fw4 s THR 141 N -3.46 2.28 -0.10 0.20 -4.23 -1.26 -4.73 115.64 104.33 3fw4 s THR 141 Ca -0.03 -1.49 0.28 0.00 -1.18 0.00 0.00 61.69 59.27 3fw4 s THR 141 Cb 0.11 -2.77 0.35 0.00 1.34 0.00 0.00 72.50 71.53 3fw4 s THR 141 CO 0.81 0.00 1.82 0.11 -0.54 0.00 0.00 174.62 176.81 3fw4 h LYS 142 N 1.08 0.00 -6.37 3.99 1.57 -1.96 -3.44 116.57 111.44 3fw4 h LYS 142 Ca -0.41 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 57.68 3fw4 h LYS 142 Cb 1.27 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.34 3fw4 h LYS 142 CO 0.61 0.04 -0.79 -1.21 -0.57 0.00 0.00 179.45 177.53 3fw4 s GLU 143 N -3.48 2.44 0.28 3.15 8.01 -1.26 -4.87 118.70 122.96 3fw4 s GLU 143 Ca 0.03 -0.74 0.06 0.00 0.01 0.00 0.00 54.97 54.34 3fw4 s GLU 143 Cb 0.08 -2.32 -0.06 0.00 -4.31 0.00 0.00 34.13 27.52 3fw4 s GLU 143 CO 0.60 0.61 -0.05 -0.51 0.01 0.00 0.00 175.26 175.92 3fw4 s LEU 144 N -0.70 2.45 0.89 1.80 1.43 -1.26 -4.94 118.68 118.35 3fw4 s LEU 144 Ca 0.11 -1.20 -0.11 0.00 -1.03 0.00 0.00 54.13 51.90 3fw4 s LEU 144 Cb -0.11 -0.60 0.12 0.00 0.03 0.00 0.00 46.19 45.64 3fw4 s LEU 144 CO 0.00 -0.36 1.09 0.42 0.23 0.00 0.00 176.35 177.73 3fw4 s THR 145 N -3.05 2.71 0.30 5.49 -4.23 -1.26 -4.89 115.64 110.72 3fw4 s THR 145 Ca 0.30 0.23 0.16 0.00 -1.18 0.00 0.00 61.69 61.19 3fw4 s THR 145 Cb 0.04 -2.66 0.11 0.00 1.34 0.00 0.00 72.50 71.33 3fw4 s THR 145 CO 0.12 -0.30 1.79 0.28 -0.54 0.00 0.00 174.62 175.97 3fw4 h SER 146 N -1.55 0.00 -0.36 3.99 0.02 -2.01 -2.54 113.55 111.10 3fw4 h SER 146 Ca -0.49 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.41 3fw4 h SER 146 Cb 1.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 3fw4 h SER 146 CO 0.53 0.38 0.01 -0.08 -1.14 0.00 0.00 176.83 176.54 3fw4 h GLU 147 N 0.00 0.62 -0.35 3.45 4.22 -1.99 -1.10 114.58 119.43 3fw4 h GLU 147 Ca -0.00 -0.19 -0.15 0.00 0.08 0.00 0.00 59.36 59.10 3fw4 h GLU 147 Cb 0.76 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 3fw4 h GLU 147 CO 0.05 0.72 -0.37 -0.07 -2.18 0.00 0.00 179.01 177.17 3fw4 h LEU 148 N 0.44 0.88 -0.60 1.64 3.38 -1.91 -2.14 115.31 117.00 3fw4 h LEU 148 Ca 0.10 -0.39 -0.14 0.00 0.09 0.00 0.00 57.88 57.54 3fw4 h LEU 148 Cb 0.44 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3fw4 h LEU 148 CO 0.02 1.15 -0.41 0.11 0.09 0.00 0.00 178.44 179.39 3fw4 h LYS 149 N 0.69 0.64 -0.11 1.13 1.57 -1.45 -2.04 116.57 117.00 3fw4 h LYS 149 Ca 0.06 -0.34 -0.13 0.00 -1.87 0.00 0.00 60.65 58.38 3fw4 h LYS 149 Cb 0.93 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 3fw4 h LYS 149 CO 0.09 0.94 -0.49 0.93 -0.57 0.00 0.00 179.45 180.35 3fw4 h GLU 150 N 0.53 0.28 -0.53 3.15 3.07 -1.18 -1.79 114.58 118.11 3fw4 h GLU 150 Ca 0.04 -0.15 -0.07 0.00 -0.50 0.00 0.00 59.36 58.68 3fw4 h GLU 150 Cb 0.94 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.84 3fw4 h GLU 150 CO 0.08 0.71 0.04 -0.97 -1.40 0.00 0.00 179.01 177.47 3fw4 h ASN 151 N 0.22 0.82 -0.42 1.42 -1.24 -1.26 -0.45 115.58 114.68 3fw4 h ASN 151 Ca 0.01 -0.19 -0.05 0.00 0.71 0.00 0.00 56.30 56.78 3fw4 h ASN 151 Cb 0.94 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.76 3fw4 h ASN 151 CO 0.08 0.86 0.06 0.15 -1.29 0.00 0.00 177.43 177.29 3fw4 h PHE 152 N 0.81 0.76 -0.76 0.67 3.04 -1.14 -1.37 116.94 118.95 3fw4 h PHE 152 Ca 0.16 -0.11 -0.05 0.00 3.98 0.00 0.00 57.97 61.95 3fw4 h PHE 152 Cb 0.43 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.70 3fw4 h PHE 152 CO 0.02 0.73 0.29 0.82 -2.02 0.00 0.00 178.31 178.15 3fw4 h ILE 153 N 0.56 1.26 -0.07 1.41 2.04 -1.19 -0.97 117.51 120.55 3fw4 h ILE 153 Ca 0.13 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 3fw4 h ILE 153 Cb 0.39 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3fw4 h ILE 153 CO 0.01 0.34 0.03 -0.09 0.00 0.00 0.00 178.15 178.44 3fw4 h ARG 154 N 1.10 0.10 -0.75 2.37 2.43 -0.93 -1.44 114.38 117.25 3fw4 h ARG 154 Ca 0.25 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.35 3fw4 h ARG 154 Cb 0.24 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 3fw4 h ARG 154 CO -0.02 0.16 0.24 0.35 -1.51 0.00 0.00 179.97 179.20 3fw4 h PHE 155 N 0.00 1.20 -0.46 2.20 3.57 -1.16 -1.74 116.94 120.54 3fw4 h PHE 155 Ca 0.02 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 3fw4 h PHE 155 Cb 0.10 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 3fw4 h PHE 155 CO -0.04 0.94 0.20 0.77 -2.23 0.00 0.00 178.31 177.95 3fw4 h SER 156 N 1.11 0.63 0.34 0.41 0.02 -1.06 -2.66 113.55 112.34 3fw4 h SER 156 Ca 0.24 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 3fw4 h SER 156 Cb 0.30 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3fw4 h SER 156 CO -0.01 0.61 -0.32 0.11 -1.14 0.00 0.00 176.83 176.09 3fw4 h LYS 157 N 0.61 0.00 0.00 3.45 1.57 -1.11 -2.48 116.57 118.60 3fw4 h LYS 157 Ca 0.16 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3fw4 h LYS 157 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 3fw4 h LYS 157 CO -0.01 0.32 -0.09 0.66 -0.57 0.00 0.00 179.45 179.75 3fw4 h SER 158 N 0.00 0.00 -0.31 0.86 4.64 -0.97 -2.29 113.55 115.48 3fw4 h SER 158 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fw4 h SER 158 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3fw4 h SER 158 CO 0.04 0.09 0.00 0.18 -0.87 0.00 0.00 176.83 176.27 3fw4 n LEU 159 N -3.30 2.55 0.00 5.97 4.77 -0.96 -4.94 117.00 121.10 3fw4 n LEU 159 Ca -0.00 -1.12 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 3fw4 n LEU 159 Cb 0.30 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3fw4 n LEU 159 CO 0.29 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 3fw4 n GLY 160 N 1.31 1.01 3.75 -0.72 0.00 -0.86 -4.58 105.19 105.10 3fw4 n GLY 160 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3fw4 n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fw4 s LEU 161 N 0.00 4.34 0.83 0.99 1.43 -1.07 -5.01 118.68 120.18 3fw4 s LEU 161 Ca 0.00 0.86 -0.11 0.00 -1.03 0.00 0.00 54.13 53.85 3fw4 s LEU 161 Cb 0.00 -2.67 0.12 0.00 0.03 0.00 0.00 46.19 43.67 3fw4 s LEU 161 CO 0.00 0.10 1.18 -2.16 0.23 0.00 0.00 176.35 175.70 3fw4 s PRO 162 N 0.12 1.55 0.23 1.29 0.04 -1.26 -3.95 135.00 133.03 3fw4 s PRO 162 Ca 0.25 -0.22 -0.07 0.00 0.04 0.00 0.00 61.00 61.00 3fw4 s PRO 162 Cb -0.16 -1.99 0.27 0.00 0.04 0.00 0.00 34.50 32.66 3fw4 s PRO 162 CO 0.11 -1.78 1.88 1.05 0.04 0.00 0.00 177.00 178.30 3fw4 h GLU 163 N -1.12 1.04 0.00 4.56 9.09 -1.98 -1.77 114.58 124.39 3fw4 h GLU 163 Ca -0.44 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 58.90 3fw4 h GLU 163 Cb 1.29 -0.23 0.00 0.00 -1.65 0.00 0.00 28.75 28.16 3fw4 h GLU 163 CO 0.54 0.69 0.00 0.27 0.05 0.00 0.00 179.01 180.56 3fw4 n ASN 164 N -4.55 0.00 -1.49 3.06 6.94 -1.26 -0.97 115.26 116.99 3fw4 n ASN 164 Ca 0.11 0.03 0.09 0.00 -0.02 0.00 0.00 54.58 54.79 3fw4 n ASN 164 Cb 0.10 -0.27 0.34 0.00 -2.36 0.00 0.00 39.78 37.59 3fw4 n ASN 164 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3fw4 n HIS 165 N -1.27 1.42 -3.96 -2.53 8.25 -0.67 -1.55 115.22 114.91 3fw4 n HIS 165 Ca 0.08 -0.64 -0.29 0.00 -0.26 0.00 0.00 57.72 56.62 3fw4 n HIS 165 Cb 0.12 -0.26 -0.17 0.00 1.12 0.00 0.00 29.99 30.81 3fw4 n HIS 165 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3fw4 s ILE 166 N -1.95 1.31 0.11 1.59 1.01 -0.14 -2.27 121.20 120.86 3fw4 s ILE 166 Ca 0.49 -0.51 0.08 0.00 0.00 0.00 0.00 60.65 60.71 3fw4 s ILE 166 Cb 0.32 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 3fw4 s ILE 166 CO 0.22 0.37 -0.20 0.68 0.00 0.00 0.00 174.94 176.01 3fw4 s VAL 167 N 1.59 1.70 -0.41 2.92 -7.23 0.14 -4.88 120.40 114.23 3fw4 s VAL 167 Ca 0.04 -1.59 0.04 0.00 -1.81 0.00 0.00 61.98 58.66 3fw4 s VAL 167 Cb -0.13 -1.58 0.11 0.00 0.56 0.00 0.00 36.38 35.34 3fw4 s VAL 167 CO -0.09 -0.11 0.13 -0.36 -0.31 0.00 0.00 175.10 174.36 3fw4 s PHE 168 N -1.31 3.56 0.31 2.82 0.40 -1.26 -0.05 117.98 122.44 3fw4 s PHE 168 Ca 0.07 -3.06 -0.28 0.00 -0.60 0.00 0.00 56.93 53.07 3fw4 s PHE 168 Cb -0.09 -2.90 -0.13 0.00 0.51 0.00 0.00 43.02 40.41 3fw4 s PHE 168 CO 0.04 -0.88 1.06 -2.30 0.70 0.00 0.00 175.22 173.85 3fw4 n PRO 169 N 3.84 1.50 -2.47 0.24 -0.02 -1.25 -4.93 135.00 131.92 3fw4 n PRO 169 Ca 0.04 0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 3fw4 n PRO 169 Cb 0.38 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 3fw4 n PRO 169 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3fw4 s VAL 170 N -1.08 4.24 0.28 -1.45 0.11 -0.70 -4.49 120.40 117.32 3fw4 s VAL 170 Ca 0.58 1.59 -0.30 0.00 -2.93 0.00 0.00 61.98 60.92 3fw4 s VAL 170 Cb -0.66 -4.02 -0.13 0.00 -1.53 0.00 0.00 36.38 30.04 3fw4 s VAL 170 CO 0.60 0.05 1.34 -2.65 -3.33 0.00 0.00 175.10 171.11 3fw4 n PRO 171 N 4.64 2.03 -4.38 1.54 -0.02 -1.26 -0.88 135.00 136.67 3fw4 n PRO 171 Ca 0.10 0.72 -0.19 0.00 -2.02 0.00 0.00 63.50 62.11 3fw4 n PRO 171 Cb 0.47 -2.33 -0.10 0.00 -0.02 0.00 0.00 33.50 31.51 3fw4 n PRO 171 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3fw4 s ILE 172 N -0.53 0.84 -0.12 4.25 -4.36 -1.26 -4.87 121.20 115.14 3fw4 s ILE 172 Ca 0.62 -2.00 0.15 0.00 -0.26 0.00 0.00 60.65 59.17 3fw4 s ILE 172 Cb -0.62 -2.70 -0.22 0.00 1.25 0.00 0.00 42.46 40.17 3fw4 s ILE 172 CO 0.55 0.00 0.14 0.47 0.24 0.00 0.00 174.94 176.34 3fw4 n ASP 173 N -0.60 1.04 -4.76 4.36 10.43 -1.26 -4.88 116.55 120.88 3fw4 n ASP 173 Ca -0.01 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 56.94 3fw4 n ASP 173 Cb 0.66 1.13 -0.02 0.00 1.84 0.00 0.00 41.12 44.73 3fw4 n ASP 173 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3fw4 s GLN 174 N -2.60 4.34 0.00 -1.24 1.11 -1.26 -3.81 119.66 116.20 3fw4 s GLN 174 Ca -0.08 2.21 0.00 0.00 0.01 0.00 0.00 55.36 57.51 3fw4 s GLN 174 Cb 0.06 -3.10 0.00 0.00 -1.01 0.00 0.00 33.01 28.97 3fw4 s GLN 174 CO 0.67 -0.25 0.00 0.00 0.01 0.00 0.00 175.29 175.73 3fw4 n ILE 176 N 0.00 0.00 1.02 0.00 -5.35 -1.26 -3.99 119.36 109.78 3fw4 n ILE 176 Ca 0.00 -0.34 0.12 0.00 -0.27 0.00 0.00 62.75 62.26 3fw4 n ILE 176 Cb 0.00 1.00 0.33 0.00 -1.74 0.00 0.00 39.64 39.23 3fw4 n ILE 176 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3fw4 n ASP 177 N 0.54 2.25 0.00 7.28 10.43 -1.25 -4.96 116.55 130.84 3fw4 n ASP 177 Ca 0.15 -1.78 0.06 0.00 2.57 0.00 0.00 54.79 55.79 3fw4 n ASP 177 Cb 0.47 -0.11 0.34 0.00 1.84 0.00 0.00 41.12 43.67 3fw4 n ASP 177 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74