#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fw2 n VAL 14 N 0.00 -8.62 -1.64 0.00 0.31 -1.26 -4.76 118.33 102.36 1fw2 n VAL 14 Ca 0.00 0.82 -0.44 0.00 -0.01 0.00 0.00 64.34 64.71 1fw2 n VAL 14 Cb 0.00 -5.89 -0.02 0.00 -0.91 0.00 0.00 33.84 27.02 1fw2 n VAL 14 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1fw2 n ARG 15 N 0.06 1.71 0.00 5.55 1.85 -1.26 -2.68 116.66 121.89 1fw2 n ARG 15 Ca 0.03 0.60 0.00 0.00 -1.00 0.00 0.00 57.85 57.49 1fw2 n ARG 15 Cb 0.44 -2.11 0.00 0.00 -1.05 0.00 0.00 32.46 29.74 1fw2 n ARG 15 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1fw2 n GLY 16 N 1.31 2.95 3.56 2.89 0.00 -1.26 -4.95 105.19 109.69 1fw2 n GLY 16 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1fw2 n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fw2 s SER 17 N -1.85 5.76 0.13 1.61 0.15 -1.09 -4.85 113.70 113.55 1fw2 s SER 17 Ca 0.00 -0.64 -0.22 0.00 0.70 0.00 0.00 55.95 55.79 1fw2 s SER 17 Cb 0.00 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.74 1fw2 s SER 17 CO 0.00 -2.13 1.66 0.40 1.20 0.00 0.00 173.24 174.36 1fw2 h ILE 18 N 6.80 0.54 0.27 6.45 2.04 -1.90 -0.76 117.51 130.95 1fw2 h ILE 18 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1fw2 h ILE 18 Cb 1.05 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1fw2 h ILE 18 CO 1.29 0.00 -0.13 0.40 0.00 0.00 0.00 178.15 179.71 1fw2 h ILE 19 N -0.22 0.77 -0.79 -0.67 1.08 -1.89 -1.61 117.51 114.19 1fw2 h ILE 19 Ca 0.10 -0.32 0.14 0.00 -0.39 0.00 0.00 64.86 64.39 1fw2 h ILE 19 Cb 0.36 0.95 -0.06 0.00 -3.07 0.00 0.00 36.82 35.01 1fw2 h ILE 19 CO -0.27 0.07 0.52 0.00 -0.69 0.00 0.00 178.15 177.78 1fw2 h ALA 20 N 0.16 1.98 -0.23 1.87 0.00 -1.85 0.04 119.26 121.23 1fw2 h ALA 20 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1fw2 h ALA 20 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1fw2 h ALA 20 CO 0.06 -0.19 -0.43 -0.97 0.00 0.00 0.00 179.25 177.72 1fw2 h ASN 21 N 0.54 0.59 0.82 0.00 -0.73 -0.79 -2.61 115.58 113.39 1fw2 h ASN 21 Ca 0.39 -0.27 -0.06 0.00 1.87 0.00 0.00 56.30 58.23 1fw2 h ASN 21 Cb 0.75 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 39.17 1fw2 h ASN 21 CO -0.15 0.94 -0.28 0.24 -0.37 0.00 0.00 177.43 177.81 1fw2 h MET 22 N 0.45 0.00 0.00 6.67 2.86 -0.05 -2.60 114.93 122.26 1fw2 h MET 22 Ca 0.03 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 1fw2 h MET 22 Cb 0.93 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 1fw2 h MET 22 CO 0.08 0.28 -0.35 -0.07 1.06 0.00 0.00 176.91 177.92 1fw2 h LEU 23 N 0.00 0.00 -9.26 1.22 3.38 -0.86 -3.43 115.31 106.37 1fw2 h LEU 23 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1fw2 h LEU 23 Cb 0.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1fw2 h LEU 23 CO 0.04 0.35 1.11 -1.58 0.09 0.00 0.00 178.44 178.44 1fw2 s GLN 24 N -3.82 4.15 0.13 1.13 2.00 -0.98 -4.96 119.66 117.31 1fw2 s GLN 24 Ca -0.01 2.20 -0.30 0.00 -2.00 0.00 0.00 55.36 55.24 1fw2 s GLN 24 Cb 0.12 -4.01 -0.07 0.00 0.80 0.00 0.00 33.01 29.85 1fw2 s GLN 24 CO 0.68 -0.89 1.24 -2.00 -0.50 0.00 0.00 175.29 173.82 1fw2 s GLU 25 N 4.13 4.43 -0.27 1.67 2.12 -1.26 -5.00 118.70 124.51 1fw2 s GLU 25 Ca 0.75 1.88 -0.10 0.00 0.36 0.00 0.00 54.97 57.86 1fw2 s GLU 25 Cb -0.34 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 30.73 1fw2 s GLU 25 CO 0.31 -0.23 0.16 -1.01 -0.54 0.00 0.00 175.26 173.95 1fw2 s HIS 26 N 0.60 3.19 0.18 5.30 3.76 -1.26 -4.99 115.29 122.07 1fw2 s HIS 26 Ca 0.58 0.01 -0.20 0.00 -0.15 0.00 0.00 55.06 55.29 1fw2 s HIS 26 Cb -0.32 -2.35 0.11 0.00 1.11 0.00 0.00 32.58 31.13 1fw2 s HIS 26 CO 0.33 -0.20 1.39 -0.40 -0.85 0.00 0.00 174.74 175.00 1fw2 n ASP 27 N 5.03 -0.72 -4.63 1.40 5.75 -1.26 -4.34 116.55 117.78 1fw2 n ASP 27 Ca -0.14 1.58 -0.36 0.00 -0.01 0.00 0.00 54.79 55.85 1fw2 n ASP 27 Cb 0.52 -0.30 -0.10 0.00 -1.03 0.00 0.00 41.12 40.21 1fw2 n ASP 27 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1fw2 s ASN 28 N -5.37 5.87 0.61 -1.12 2.47 -1.26 -4.99 114.94 111.15 1fw2 s ASN 28 Ca -0.12 0.07 0.32 0.00 0.42 0.00 0.00 52.86 53.56 1fw2 s ASN 28 Cb 0.15 -2.04 1.84 0.00 -1.45 0.00 0.00 41.25 39.75 1fw2 s ASN 28 CO 0.61 0.09 2.16 -0.65 -3.72 0.00 0.00 177.10 175.59 1fw2 h PRO 29 N 7.32 0.00 -0.00 0.43 0.11 -2.04 0.74 132.00 138.56 1fw2 h PRO 29 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1fw2 h PRO 29 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1fw2 h PRO 29 CO 0.67 0.00 -0.24 1.19 -0.21 0.00 0.00 178.00 179.41 1fw2 n PHE 30 N -3.56 0.00 -2.47 0.65 3.72 -1.26 -4.60 117.46 109.95 1fw2 n PHE 30 Ca -0.01 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.00 1fw2 n PHE 30 Cb 0.24 -0.35 -0.03 0.00 -0.94 0.00 0.00 39.48 38.40 1fw2 n PHE 30 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1fw2 s THR 31 N -2.93 3.76 1.01 4.37 2.01 0.25 -4.99 115.64 119.12 1fw2 s THR 31 Ca 0.14 -0.26 -0.16 0.00 0.31 0.00 0.00 61.69 61.73 1fw2 s THR 31 Cb 0.18 -4.82 0.20 0.00 0.01 0.00 0.00 72.50 68.07 1fw2 s THR 31 CO 0.60 -1.74 1.20 -0.76 -0.69 0.00 0.00 174.62 173.23 1fw2 s LEU 32 N 6.06 1.92 -0.04 4.42 1.43 -1.26 -4.90 118.68 126.30 1fw2 s LEU 32 Ca 0.46 0.60 0.04 0.00 -1.03 0.00 0.00 54.13 54.20 1fw2 s LEU 32 Cb -0.04 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 1fw2 s LEU 32 CO 0.02 -3.04 -0.14 -0.31 0.23 0.00 0.00 176.35 173.11 1fw2 s TYR 33 N -3.44 2.71 -0.05 0.29 1.51 -1.17 -5.00 117.35 112.20 1fw2 s TYR 33 Ca 0.69 -0.15 -0.26 0.00 -1.01 0.00 0.00 57.07 56.35 1fw2 s TYR 33 Cb -0.09 -1.62 -0.03 0.00 -0.11 0.00 0.00 41.96 40.10 1fw2 s TYR 33 CO 0.54 0.21 0.81 -1.25 -1.11 0.00 0.00 175.55 174.75 1fw2 s PRO 34 N -0.80 4.48 0.00 -1.71 0.04 -1.26 0.50 135.00 136.25 1fw2 s PRO 34 Ca 0.12 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.25 1fw2 s PRO 34 Cb -0.11 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.97 1fw2 s PRO 34 CO 0.01 -0.00 0.00 0.98 0.04 0.00 0.00 177.00 178.03 1fw2 n TYR 35 N 3.91 0.00 -2.31 0.56 9.36 -0.99 -4.64 117.16 123.05 1fw2 n TYR 35 Ca 0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.24 1fw2 n TYR 35 Cb 0.51 -0.16 0.00 0.00 -0.63 0.00 0.00 39.34 39.06 1fw2 n TYR 35 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1fw2 n ASP 36 N -1.63 0.00 -4.79 2.98 -0.08 -1.26 -4.91 116.55 106.86 1fw2 n ASP 36 Ca 0.00 -0.63 -0.36 0.00 -1.51 0.00 0.00 54.79 52.29 1fw2 n ASP 36 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 1fw2 n ASP 36 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1fw2 s THR 37 N 1.06 4.27 -0.22 5.18 -4.23 -1.26 -4.71 115.64 115.72 1fw2 s THR 37 Ca 0.00 1.71 -0.04 0.00 -1.18 0.00 0.00 61.69 62.18 1fw2 s THR 37 Cb 0.00 -3.89 -0.01 0.00 1.34 0.00 0.00 72.50 69.94 1fw2 s THR 37 CO 0.00 0.02 -0.04 0.20 -0.54 0.00 0.00 174.62 174.26 1fw2 s ASN 38 N -1.77 4.33 0.18 3.99 0.01 -1.17 -4.25 114.94 116.26 1fw2 s ASN 38 Ca 0.53 -0.40 -0.13 0.00 -0.71 0.00 0.00 52.86 52.15 1fw2 s ASN 38 Cb -0.16 -1.74 0.01 0.00 0.41 0.00 0.00 41.25 39.76 1fw2 s ASN 38 CO 0.21 -0.03 0.39 -0.72 -1.51 0.00 0.00 177.10 175.45 1fw2 s TYR 39 N 1.48 0.19 -0.22 2.20 -0.85 -0.24 -0.38 117.35 119.54 1fw2 s TYR 39 Ca 0.06 -0.55 -0.04 0.00 -0.52 0.00 0.00 57.07 56.02 1fw2 s TYR 39 Cb -0.14 0.14 0.09 0.00 0.38 0.00 0.00 41.96 42.43 1fw2 s TYR 39 CO -0.03 -0.82 0.18 -1.17 -1.52 0.00 0.00 175.55 172.19 1fw2 s LEU 40 N -2.93 0.12 0.07 -3.49 2.96 -0.42 -0.09 118.68 114.90 1fw2 s LEU 40 Ca 0.14 -0.58 0.06 0.00 -0.22 0.00 0.00 54.13 53.53 1fw2 s LEU 40 Cb 0.01 0.09 -0.03 0.00 0.50 0.00 0.00 46.19 46.76 1fw2 s LEU 40 CO -0.00 -0.36 -0.16 0.27 -1.32 0.00 0.00 176.35 174.78 1fw2 s ILE 41 N 2.24 1.26 -0.22 6.68 -4.36 0.53 -1.23 121.20 126.10 1fw2 s ILE 41 Ca 0.06 -1.27 -0.23 0.00 -0.26 0.00 0.00 60.65 58.96 1fw2 s ILE 41 Cb -0.16 -1.17 -0.01 0.00 1.25 0.00 0.00 42.46 42.37 1fw2 s ILE 41 CO -0.18 -0.11 0.74 -0.31 0.24 0.00 0.00 174.94 175.32 1fw2 s TYR 42 N -1.11 3.34 0.50 1.37 2.02 -0.31 0.31 117.35 123.47 1fw2 s TYR 42 Ca 0.01 1.03 0.03 0.00 -0.37 0.00 0.00 57.07 57.77 1fw2 s TYR 42 Cb -0.09 -2.94 -0.01 0.00 -0.40 0.00 0.00 41.96 38.52 1fw2 s TYR 42 CO 0.02 -0.31 0.11 0.95 -1.57 0.00 0.00 175.55 174.76 1fw2 s THR 43 N 2.44 1.43 -0.27 -0.71 -4.23 0.24 -1.27 115.64 113.26 1fw2 s THR 43 Ca 0.32 -1.85 -0.02 0.00 -1.18 0.00 0.00 61.69 58.95 1fw2 s THR 43 Cb -0.16 -2.28 0.16 0.00 1.34 0.00 0.00 72.50 71.56 1fw2 s THR 43 CO 0.09 0.00 0.49 -1.58 -0.54 0.00 0.00 174.62 173.08 1fw2 s GLN 44 N -3.96 0.45 0.37 3.99 -0.44 -0.51 -1.67 119.66 117.90 1fw2 s GLN 44 Ca 0.17 0.79 -0.03 0.00 -2.50 0.00 0.00 55.36 53.79 1fw2 s GLN 44 Cb 0.01 0.06 -0.04 0.00 -1.64 0.00 0.00 33.01 31.40 1fw2 s GLN 44 CO 0.10 -0.61 0.63 -0.08 0.50 0.00 0.00 175.29 175.83 1fw2 s THR 45 N 2.70 5.01 0.07 -0.34 -1.32 0.25 -2.09 115.64 119.92 1fw2 s THR 45 Ca 0.16 -0.07 -0.18 0.00 -1.21 0.00 0.00 61.69 60.39 1fw2 s THR 45 Cb -0.15 -3.82 -0.11 0.00 -1.51 0.00 0.00 72.50 66.91 1fw2 s THR 45 CO -0.18 -0.58 1.42 0.77 -2.21 0.00 0.00 174.62 173.83 1fw2 h SER 46 N 0.87 0.49 -3.69 8.08 4.64 -0.24 -3.45 113.55 120.25 1fw2 h SER 46 Ca -0.48 -0.43 -0.23 0.00 -0.47 0.00 0.00 61.79 60.18 1fw2 h SER 46 Cb 1.20 -0.14 -0.29 0.00 -0.31 0.00 0.00 62.40 62.87 1fw2 h SER 46 CO 0.63 0.81 -0.65 -0.62 -0.87 0.00 0.00 176.83 176.13 1fw2 s ASP 47 N -6.18 -0.05 -0.21 4.97 2.15 -1.26 -4.97 116.67 111.12 1fw2 s ASP 47 Ca -0.14 0.13 -0.11 0.00 0.43 0.00 0.00 52.55 52.87 1fw2 s ASP 47 Cb 0.07 0.11 -0.05 0.00 -0.30 0.00 0.00 42.92 42.75 1fw2 s ASP 47 CO 0.77 -0.05 0.18 -0.22 -0.17 0.00 0.00 175.17 175.68 1fw2 s LEU 48 N 0.28 4.18 -0.96 -1.34 0.20 -1.26 -4.85 118.68 114.93 1fw2 s LEU 48 Ca -0.02 0.24 -0.24 0.00 0.69 0.00 0.00 54.13 54.80 1fw2 s LEU 48 Cb -0.03 -2.15 -0.01 0.00 -0.43 0.00 0.00 46.19 43.56 1fw2 s LEU 48 CO -0.01 0.11 1.78 0.21 -0.29 0.00 0.00 176.35 178.16 1fw2 s ASN 49 N 0.66 5.61 0.07 3.68 3.84 -1.26 -4.69 114.94 122.85 1fw2 s ASN 49 Ca 0.09 -1.00 0.24 0.00 0.21 0.00 0.00 52.86 52.40 1fw2 s ASN 49 Cb -0.12 -2.56 0.24 0.00 -0.55 0.00 0.00 41.25 38.25 1fw2 s ASN 49 CO 0.02 -2.32 1.21 0.29 -2.79 0.00 0.00 177.10 173.50 1fw2 n LYS 50 N 8.83 0.24 -0.04 0.43 5.02 -1.26 -3.82 118.16 127.57 1fw2 n LYS 50 Ca 0.38 0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.58 1fw2 n LYS 50 Cb 0.48 -1.62 -0.11 0.00 -0.02 0.00 0.00 35.03 33.76 1fw2 n LYS 50 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1fw2 h GLU 51 N 0.00 -0.01 0.00 1.97 5.08 -1.97 -1.22 114.58 118.42 1fw2 h GLU 51 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1fw2 h GLU 51 Cb 0.70 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1fw2 h GLU 51 CO 0.00 0.76 -0.12 0.00 -1.00 0.00 0.00 179.01 178.65 1fw2 h ALA 52 N 0.11 1.03 -0.58 3.43 0.00 -1.93 -2.63 119.26 118.69 1fw2 h ALA 52 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1fw2 h ALA 52 Cb 0.78 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1fw2 h ALA 52 CO 0.00 0.15 0.00 -0.89 0.00 0.00 0.00 179.25 178.51 1fw2 n ILE 53 N -3.27 1.39 -0.26 0.00 5.41 -1.23 -4.59 119.36 116.80 1fw2 n ILE 53 Ca 0.00 -1.14 0.10 0.00 1.00 0.00 0.00 62.75 62.72 1fw2 n ILE 53 Cb 0.37 0.31 0.35 0.00 -0.71 0.00 0.00 39.64 39.96 1fw2 n ILE 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1fw2 h ALA 54 N 3.49 1.77 0.00 -1.39 0.00 -0.82 -1.25 119.26 121.06 1fw2 h ALA 54 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1fw2 h ALA 54 Cb 1.13 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1fw2 h ALA 54 CO 0.10 0.02 0.11 0.66 0.00 0.00 0.00 179.25 180.14 1fw2 h SER 55 N 0.75 0.00 -3.72 0.00 4.64 -1.83 -3.42 113.55 109.96 1fw2 h SER 55 Ca 0.42 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.24 1fw2 h SER 55 Cb 0.59 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 1fw2 h SER 55 CO -0.19 0.00 0.41 -0.31 -0.87 0.00 0.00 176.83 175.87 1fw2 s TYR 56 N -3.97 3.79 -1.72 4.77 2.02 -0.47 -4.93 117.35 116.85 1fw2 s TYR 56 Ca -0.04 1.80 0.19 0.00 -0.37 0.00 0.00 57.07 58.65 1fw2 s TYR 56 Cb 0.10 -3.12 1.06 0.00 -0.40 0.00 0.00 41.96 39.60 1fw2 s TYR 56 CO 0.32 -0.02 1.56 -0.40 -1.57 0.00 0.00 175.55 175.44 1fw2 n ASP 57 N 1.64 0.00 -0.26 2.29 5.68 -1.26 -1.92 116.55 122.73 1fw2 n ASP 57 Ca -0.01 -0.30 0.03 0.00 -0.50 0.00 0.00 54.79 54.02 1fw2 n ASP 57 Cb 0.46 -0.14 0.03 0.00 -1.14 0.00 0.00 41.12 40.33 1fw2 n ASP 57 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 1fw2 n TRP 58 N -1.14 0.00 -0.05 2.11 4.27 -1.26 -4.77 117.44 116.60 1fw2 n TRP 58 Ca 0.12 -0.01 -0.12 0.00 -3.89 0.00 0.00 57.50 53.60 1fw2 n TRP 58 Cb 0.11 -0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 29.99 1fw2 n TRP 58 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1fw2 h ALA 59 N 1.25 -0.58 0.00 -1.67 0.00 -1.62 0.12 119.26 116.75 1fw2 h ALA 59 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1fw2 h ALA 59 Cb 0.27 0.86 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1fw2 h ALA 59 CO 0.00 -0.93 0.00 0.39 0.00 0.00 0.00 179.25 178.71 1fw2 n GLU 60 N -5.43 0.11 -0.42 0.00 -0.58 -1.26 -1.45 120.64 111.61 1fw2 n GLU 60 Ca -0.03 0.45 0.08 0.00 -0.42 0.00 0.00 57.16 57.24 1fw2 n GLU 60 Cb 0.36 -1.76 0.25 0.00 -0.57 0.00 0.00 31.44 29.72 1fw2 n GLU 60 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1fw2 n ASN 61 N -1.97 3.83 -4.76 1.62 4.05 0.30 -5.02 115.26 113.31 1fw2 n ASN 61 Ca 0.01 -2.75 -0.39 0.00 0.45 0.00 0.00 54.58 51.90 1fw2 n ASN 61 Cb 0.13 -0.48 -0.05 0.00 1.23 0.00 0.00 39.78 40.61 1fw2 n ASN 61 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1fw2 s ALA 62 N -2.36 3.29 0.01 5.20 0.00 -0.48 -4.92 121.76 122.50 1fw2 s ALA 62 Ca 0.39 0.72 0.01 0.00 0.00 0.00 0.00 51.96 53.08 1fw2 s ALA 62 Cb 0.30 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 1fw2 s ALA 62 CO 0.12 -0.02 0.06 1.03 0.00 0.00 0.00 175.76 176.95 1fw2 s ARG 63 N -1.68 2.97 0.21 0.00 0.52 -1.26 -5.01 118.95 114.69 1fw2 s ARG 63 Ca 0.47 -0.56 0.23 0.00 -0.52 0.00 0.00 55.73 55.35 1fw2 s ARG 63 Cb -0.26 -2.79 0.91 0.00 0.52 0.00 0.00 34.95 33.33 1fw2 s ARG 63 CO 0.33 0.63 1.69 1.63 0.02 0.00 0.00 175.30 179.60 1fw2 n LYS 64 N 1.08 0.17 -3.80 3.54 5.02 -1.26 -4.63 118.16 118.28 1fw2 n LYS 64 Ca -0.12 0.36 -0.36 0.00 -2.02 0.00 0.00 58.31 56.17 1fw2 n LYS 64 Cb 0.52 -1.80 -0.10 0.00 -0.02 0.00 0.00 35.03 33.64 1fw2 n LYS 64 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1fw2 s ASP 65 N -4.06 5.88 -0.03 4.39 -4.77 -1.26 -0.58 116.67 116.24 1fw2 s ASP 65 Ca 0.06 0.09 -0.23 0.00 -3.30 0.00 0.00 52.55 49.17 1fw2 s ASP 65 Cb 0.10 -2.04 0.05 0.00 -1.09 0.00 0.00 42.92 39.94 1fw2 s ASP 65 CO 0.40 0.11 0.49 -1.83 0.70 0.00 0.00 175.17 175.05 1fw2 s GLU 66 N 0.77 0.87 -0.29 2.11 -1.05 -0.67 -4.67 118.70 115.78 1fw2 s GLU 66 Ca 0.06 0.00 -0.29 0.00 -0.15 0.00 0.00 54.97 54.59 1fw2 s GLU 66 Cb -0.13 0.40 -0.00 0.00 -0.44 0.00 0.00 34.13 33.96 1fw2 s GLU 66 CO 0.02 -0.26 1.34 0.08 0.95 0.00 0.00 175.26 177.39 1fw2 s VAL 67 N -1.36 4.08 -0.23 1.83 1.01 0.53 -0.59 120.40 125.66 1fw2 s VAL 67 Ca -0.12 1.21 -0.07 0.00 0.00 0.00 0.00 61.98 63.00 1fw2 s VAL 67 Cb -0.02 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1fw2 s VAL 67 CO 0.06 -0.47 0.07 -0.75 0.00 0.00 0.00 175.10 174.01 1fw2 s LYS 68 N 4.26 3.73 0.13 2.72 2.20 0.15 -1.77 119.74 131.16 1fw2 s LYS 68 Ca 0.58 -0.45 0.06 0.00 -0.36 0.00 0.00 55.97 55.80 1fw2 s LYS 68 Cb -0.18 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1fw2 s LYS 68 CO 0.24 -0.07 -0.13 -0.59 -0.36 0.00 0.00 175.35 174.44 1fw2 s PHE 69 N 1.29 1.39 -0.07 4.03 -0.12 -0.69 -0.35 117.98 123.47 1fw2 s PHE 69 Ca 0.05 -0.60 -0.01 0.00 -0.05 0.00 0.00 56.93 56.32 1fw2 s PHE 69 Cb -0.15 -0.71 0.03 0.00 -0.63 0.00 0.00 43.02 41.56 1fw2 s PHE 69 CO 0.03 0.15 -0.01 -1.14 -0.05 0.00 0.00 175.22 174.21 1fw2 s GLN 70 N -2.99 0.65 -0.24 1.99 0.74 0.87 -0.58 119.66 120.10 1fw2 s GLN 70 Ca 0.12 0.07 -0.05 0.00 0.05 0.00 0.00 55.36 55.54 1fw2 s GLN 70 Cb -0.03 -0.94 -0.01 0.00 1.10 0.00 0.00 33.01 33.13 1fw2 s GLN 70 CO 0.03 -0.26 0.01 -1.17 -0.55 0.00 0.00 175.29 173.34 1fw2 s LEU 71 N 1.76 3.18 -0.09 3.68 2.96 0.46 -1.08 118.68 129.55 1fw2 s LEU 71 Ca 0.02 -0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 53.51 1fw2 s LEU 71 Cb -0.13 -1.81 0.04 0.00 0.50 0.00 0.00 46.19 44.79 1fw2 s LEU 71 CO -0.04 -0.05 0.05 -0.55 -1.32 0.00 0.00 176.35 174.44 1fw2 s SER 72 N 1.52 1.72 0.23 3.68 0.15 -1.25 0.13 113.70 119.88 1fw2 s SER 72 Ca 0.05 -0.22 0.07 0.00 0.70 0.00 0.00 55.95 56.55 1fw2 s SER 72 Cb -0.15 -0.28 -0.05 0.00 -1.71 0.00 0.00 66.02 63.83 1fw2 s SER 72 CO -0.01 -0.27 -0.09 -0.76 1.20 0.00 0.00 173.24 173.32 1fw2 s LEU 73 N 2.09 2.48 -0.01 3.45 1.43 0.47 -2.33 118.68 126.26 1fw2 s LEU 73 Ca 0.04 -1.11 0.03 0.00 -1.03 0.00 0.00 54.13 52.06 1fw2 s LEU 73 Cb -0.14 -0.59 -0.01 0.00 0.03 0.00 0.00 46.19 45.49 1fw2 s LEU 73 CO -0.05 -0.29 -0.09 0.00 0.23 0.00 0.00 176.35 176.14 1fw2 s ALA 74 N -3.07 0.80 -0.29 4.21 0.00 0.18 0.03 121.76 123.62 1fw2 s ALA 74 Ca 0.26 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.83 1fw2 s ALA 74 Cb 0.02 -0.22 0.08 0.00 0.00 0.00 0.00 23.12 23.01 1fw2 s ALA 74 CO 0.09 0.19 0.02 -0.06 0.00 0.00 0.00 175.76 175.99 1fw2 s PHE 75 N -0.17 2.61 -0.50 0.00 0.40 0.18 -3.02 117.98 117.47 1fw2 s PHE 75 Ca 0.03 -2.11 -0.27 0.00 -0.60 0.00 0.00 56.93 53.98 1fw2 s PHE 75 Cb -0.04 -2.01 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 1fw2 s PHE 75 CO -0.00 -0.85 1.99 -1.25 0.70 0.00 0.00 175.22 175.81 1fw2 s PRO 76 N 1.31 2.68 0.31 0.24 0.04 -1.26 -1.84 135.00 136.49 1fw2 s PRO 76 Ca 0.03 1.05 0.13 0.00 0.04 0.00 0.00 61.00 62.25 1fw2 s PRO 76 Cb -0.18 -4.39 0.48 0.00 0.04 0.00 0.00 34.50 30.45 1fw2 s PRO 76 CO -0.12 -2.64 1.66 -0.07 0.04 0.00 0.00 177.00 175.88 1fw2 h LEU 77 N 16.50 0.00 -6.00 -3.56 3.38 -1.14 -3.44 115.31 121.05 1fw2 h LEU 77 Ca -0.28 0.00 0.17 0.00 0.09 0.00 0.00 57.88 57.86 1fw2 h LEU 77 Cb 1.19 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.74 1fw2 h LEU 77 CO 1.15 0.52 -0.07 0.86 0.09 0.00 0.00 178.44 181.00 1fw2 s TRP 78 N -3.64 -0.94 0.62 1.13 -0.11 -0.68 -4.97 118.94 110.35 1fw2 s TRP 78 Ca -0.01 0.80 -0.14 0.00 1.22 0.00 0.00 56.10 57.97 1fw2 s TRP 78 Cb 0.12 0.25 -0.03 0.00 -1.50 0.00 0.00 33.47 32.32 1fw2 s TRP 78 CO 0.73 -0.53 1.05 1.03 -4.62 0.00 0.00 176.95 174.61 1fw2 s ARG 79 N 2.92 3.28 -1.41 5.86 0.52 -1.26 -1.08 118.95 127.78 1fw2 s ARG 79 Ca 0.12 1.04 0.00 0.00 -0.52 0.00 0.00 55.73 56.37 1fw2 s ARG 79 Cb -0.09 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.35 1fw2 s ARG 79 CO -0.19 -0.83 0.00 0.41 0.02 0.00 0.00 175.30 174.72 1fw2 n GLY 80 N -1.59 1.27 0.32 -3.53 0.00 -0.38 -4.83 105.19 96.45 1fw2 n GLY 80 Ca 0.08 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.25 1fw2 n GLY 80 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1fw2 h ILE 81 N 0.00 0.63 -1.17 -0.61 2.10 -1.76 -3.14 117.51 113.56 1fw2 h ILE 81 Ca -0.27 0.00 -0.38 0.00 1.08 0.00 0.00 64.86 65.29 1fw2 h ILE 81 Cb 1.04 0.89 -0.34 0.00 -1.09 0.00 0.00 36.82 37.32 1fw2 h ILE 81 CO 0.40 0.00 -1.00 0.18 -1.08 0.00 0.00 178.15 176.65 1fw2 n LEU 82 N -4.05 0.28 0.00 2.19 4.77 -1.26 -5.07 117.00 113.86 1fw2 n LEU 82 Ca 0.01 -4.23 0.00 0.00 -0.03 0.00 0.00 56.01 51.76 1fw2 n LEU 82 Cb 0.27 0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 1fw2 n LEU 82 CO 0.30 1.98 0.00 0.61 -1.33 0.00 0.00 177.39 178.95 1fw2 n GLY 83 N 0.08 2.87 0.32 -0.72 0.00 -1.19 -4.61 105.19 101.95 1fw2 n GLY 83 Ca 0.14 -1.93 0.07 0.00 0.00 0.00 0.00 46.02 44.30 1fw2 n GLY 83 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1fw2 h PRO 84 N 0.00 0.69 -0.94 1.61 0.11 -1.99 -2.52 132.00 128.97 1fw2 h PRO 84 Ca 0.00 -0.04 -0.65 0.00 0.11 0.00 0.00 66.00 65.42 1fw2 h PRO 84 Cb 0.00 -0.16 -0.32 0.00 0.11 0.00 0.00 31.00 30.63 1fw2 h PRO 84 CO 0.00 0.46 0.46 0.09 -0.21 0.00 0.00 178.00 178.79 1fw2 n ASN 85 N -4.81 6.99 -4.50 -2.05 3.02 -1.26 -4.58 115.26 108.07 1fw2 n ASN 85 Ca 0.17 -3.78 -0.24 0.00 -0.03 0.00 0.00 54.58 50.71 1fw2 n ASN 85 Cb 0.41 -0.82 -0.11 0.00 -0.61 0.00 0.00 39.78 38.66 1fw2 n ASN 85 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1fw2 s SER 86 N -2.27 3.09 -0.29 6.41 1.04 -0.95 -0.64 113.70 120.09 1fw2 s SER 86 Ca 0.61 -1.28 -0.18 0.00 0.48 0.00 0.00 55.95 55.59 1fw2 s SER 86 Cb 0.48 -0.23 0.15 0.00 0.10 0.00 0.00 66.02 66.52 1fw2 s SER 86 CO 0.00 -0.41 1.03 0.54 0.98 0.00 0.00 173.24 175.38 1fw2 s VAL 87 N -2.94 0.00 -0.27 5.02 0.11 -0.39 -1.25 120.40 120.67 1fw2 s VAL 87 Ca 0.33 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 59.15 1fw2 s VAL 87 Cb 0.06 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.90 1fw2 s VAL 87 CO 0.15 0.00 0.74 -0.22 -3.33 0.00 0.00 175.10 172.44 1fw2 s LEU 88 N 1.10 4.08 0.25 2.54 2.96 -0.24 -1.17 118.68 128.22 1fw2 s LEU 88 Ca -0.07 0.78 0.01 0.00 -0.22 0.00 0.00 54.13 54.63 1fw2 s LEU 88 Cb -0.04 -3.03 -0.05 0.00 0.50 0.00 0.00 46.19 43.57 1fw2 s LEU 88 CO -0.13 -0.50 0.10 -0.83 -1.32 0.00 0.00 176.35 173.67 1fw2 s GLY 89 N 1.49 1.72 -0.00 7.98 0.00 0.83 -0.51 107.32 118.82 1fw2 s GLY 89 Ca 0.31 -1.84 0.05 0.00 0.00 0.00 0.00 44.72 43.24 1fw2 s GLY 89 CO 0.10 -1.57 -0.16 0.00 0.00 0.00 0.00 173.10 171.47 1fw2 s ALA 90 N -3.80 1.32 0.12 3.20 0.00 -0.77 -0.07 121.76 121.76 1fw2 s ALA 90 Ca 0.38 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.68 1fw2 s ALA 90 Cb 0.08 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1fw2 s ALA 90 CO 0.14 0.31 -0.13 -1.54 0.00 0.00 0.00 175.76 174.54 1fw2 s SER 91 N -0.49 1.93 -0.09 0.00 1.04 -0.92 0.47 113.70 115.65 1fw2 s SER 91 Ca 0.06 -0.82 -0.01 0.00 0.48 0.00 0.00 55.95 55.66 1fw2 s SER 91 Cb -0.06 -0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.02 1fw2 s SER 91 CO -0.00 -0.17 -0.05 -0.47 0.98 0.00 0.00 173.24 173.53 1fw2 s TYR 92 N -2.23 1.18 -0.11 5.02 5.04 0.10 -0.23 117.35 126.12 1fw2 s TYR 92 Ca 0.09 -0.52 0.02 0.00 -2.44 0.00 0.00 57.07 54.23 1fw2 s TYR 92 Cb -0.04 -1.06 0.01 0.00 0.35 0.00 0.00 41.96 41.22 1fw2 s TYR 92 CO 0.03 -0.43 -0.19 0.99 -1.34 0.00 0.00 175.55 174.61 1fw2 s THR 93 N 1.73 1.73 -0.10 4.34 2.01 -0.80 -0.39 115.64 124.16 1fw2 s THR 93 Ca 0.04 -0.80 -0.00 0.00 0.31 0.00 0.00 61.69 61.24 1fw2 s THR 93 Cb -0.13 -1.54 0.02 0.00 0.01 0.00 0.00 72.50 70.87 1fw2 s THR 93 CO -0.06 0.49 -0.06 -1.58 -0.69 0.00 0.00 174.62 172.71 1fw2 s GLN 94 N 0.76 1.33 -0.18 4.92 0.74 0.12 -0.67 119.66 126.68 1fw2 s GLN 94 Ca -0.10 -0.19 -0.04 0.00 0.05 0.00 0.00 55.36 55.07 1fw2 s GLN 94 Cb -0.16 -1.42 -0.03 0.00 1.10 0.00 0.00 33.01 32.51 1fw2 s GLN 94 CO 0.01 -0.24 -0.01 0.15 -0.55 0.00 0.00 175.29 174.65 1fw2 s LYS 95 N 1.62 3.65 -0.01 1.67 1.02 -1.04 -0.41 119.74 126.24 1fw2 s LYS 95 Ca 0.02 -0.51 0.04 0.00 0.02 0.00 0.00 55.97 55.54 1fw2 s LYS 95 Cb -0.13 -3.01 -0.01 0.00 -0.52 0.00 0.00 37.83 34.17 1fw2 s LYS 95 CO -0.06 0.12 -0.12 -1.12 -0.92 0.00 0.00 175.35 173.25 1fw2 s SER 96 N 0.69 1.49 -0.29 2.83 0.01 0.25 -0.57 113.70 118.12 1fw2 s SER 96 Ca -0.01 -0.23 -0.06 0.00 1.31 0.00 0.00 55.95 56.96 1fw2 s SER 96 Cb -0.14 -0.22 0.01 0.00 0.21 0.00 0.00 66.02 65.88 1fw2 s SER 96 CO 0.02 0.14 0.05 0.26 0.41 0.00 0.00 173.24 174.12 1fw2 s TRP 97 N -0.19 3.13 -0.09 2.43 0.51 0.11 -1.70 118.94 123.15 1fw2 s TRP 97 Ca 0.03 -1.14 0.03 0.00 -2.12 0.00 0.00 56.10 52.90 1fw2 s TRP 97 Cb -0.06 -2.21 0.01 0.00 -0.81 0.00 0.00 33.47 30.40 1fw2 s TRP 97 CO -0.00 -0.62 -0.18 -0.46 -0.51 0.00 0.00 176.95 175.18 1fw2 s TRP 98 N 1.45 2.01 -1.28 -1.98 -0.00 -0.73 -0.42 118.94 118.00 1fw2 s TRP 98 Ca 0.02 -0.81 -0.08 0.00 -0.00 0.00 0.00 56.10 55.23 1fw2 s TRP 98 Cb -0.17 -1.40 -0.02 0.00 -0.00 0.00 0.00 33.47 31.88 1fw2 s TRP 98 CO 0.01 -0.36 2.81 1.04 -0.00 0.00 0.00 176.95 180.45 1fw2 n GLN 99 N 3.71 3.78 -0.36 5.86 1.13 -0.25 -0.35 117.38 130.91 1fw2 n GLN 99 Ca -0.21 -2.54 0.05 0.00 -1.94 0.00 0.00 57.00 52.35 1fw2 n GLN 99 Cb 0.52 -2.62 0.21 0.00 0.11 0.00 0.00 30.24 28.47 1fw2 n GLN 99 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1fw2 h LEU 100 N 6.09 0.98 -0.43 1.08 5.85 -1.85 -2.21 115.31 124.82 1fw2 h LEU 100 Ca 0.72 0.02 -0.17 0.00 0.84 0.00 0.00 57.88 59.30 1fw2 h LEU 100 Cb 0.44 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 1fw2 h LEU 100 CO 1.47 0.59 -0.48 0.77 -0.34 0.00 0.00 178.44 180.44 1fw2 h SER 101 N 1.09 0.86 -0.08 1.25 4.64 -1.84 -3.40 113.55 116.06 1fw2 h SER 101 Ca 0.45 -0.43 -0.28 0.00 -0.47 0.00 0.00 61.79 61.06 1fw2 h SER 101 Cb 0.30 -0.24 0.05 0.00 -0.31 0.00 0.00 62.40 62.20 1fw2 h SER 101 CO -0.20 1.19 0.73 -3.20 -0.87 0.00 0.00 176.83 174.48 1fw2 n ASN 102 N -4.01 1.43 0.17 4.97 2.85 -0.83 -4.66 115.26 115.18 1fw2 n ASN 102 Ca -0.03 -2.52 0.02 0.00 -0.11 0.00 0.00 54.58 51.93 1fw2 n ASN 102 Cb 0.58 -1.25 0.30 0.00 1.24 0.00 0.00 39.78 40.65 1fw2 n ASN 102 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1fw2 h SER 103 N 10.67 0.00 0.38 1.20 0.87 -1.81 -1.00 113.55 123.86 1fw2 h SER 103 Ca 0.14 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 1fw2 h SER 103 Cb 0.87 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1fw2 h SER 103 CO 1.46 0.46 -0.14 -0.33 -0.53 0.00 0.00 176.83 177.75 1fw2 h GLU 104 N 0.00 0.00 -0.46 2.24 5.08 -1.97 -2.14 114.58 117.34 1fw2 h GLU 104 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1fw2 h GLU 104 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1fw2 h GLU 104 CO 0.06 0.14 0.00 0.39 -1.00 0.00 0.00 179.01 178.59 1fw2 n GLU 105 N -3.69 3.41 -2.91 2.33 -0.58 -1.03 -4.95 120.64 113.22 1fw2 n GLU 105 Ca -0.02 -2.72 -0.18 0.00 -0.42 0.00 0.00 57.16 53.82 1fw2 n GLU 105 Cb 0.25 -1.78 0.03 0.00 -0.57 0.00 0.00 31.44 29.38 1fw2 n GLU 105 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1fw2 n SER 106 N 0.44 -5.33 -3.61 1.62 7.64 -0.80 -3.87 113.62 109.71 1fw2 n SER 106 Ca 0.21 -0.25 -0.21 0.00 1.01 0.00 0.00 58.87 59.64 1fw2 n SER 106 Cb 0.82 -4.15 0.00 0.00 -1.01 0.00 0.00 64.21 59.87 1fw2 n SER 106 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1fw2 n SER 107 N -1.76 -5.54 -4.89 6.43 7.64 -0.41 -4.96 113.62 110.14 1fw2 n SER 107 Ca -0.09 -0.70 -0.29 0.00 1.01 0.00 0.00 58.87 58.80 1fw2 n SER 107 Cb 0.60 -2.45 0.00 0.00 -1.01 0.00 0.00 64.21 61.34 1fw2 n SER 107 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1fw2 s PRO 108 N -4.33 3.59 -0.35 1.43 0.04 -1.25 -4.75 135.00 129.38 1fw2 s PRO 108 Ca 0.04 0.46 -0.22 0.00 0.04 0.00 0.00 61.00 61.31 1fw2 s PRO 108 Cb -0.00 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1fw2 s PRO 108 CO 0.86 -0.34 0.70 -0.06 0.04 0.00 0.00 177.00 178.21 1fw2 s PHE 109 N -2.89 3.14 0.12 0.56 0.08 -1.26 -1.09 117.98 116.64 1fw2 s PHE 109 Ca 0.51 0.47 -0.14 0.00 0.12 0.00 0.00 56.93 57.90 1fw2 s PHE 109 Cb -0.11 -3.24 -0.05 0.00 -0.57 0.00 0.00 43.02 39.05 1fw2 s PHE 109 CO 0.47 -0.66 1.48 -0.09 -0.10 0.00 0.00 175.22 176.33 1fw2 h ARG 110 N 8.43 0.78 -2.00 0.44 2.43 -1.10 -3.47 114.38 119.90 1fw2 h ARG 110 Ca -0.26 -0.36 -0.05 0.00 -0.81 0.00 0.00 59.98 58.51 1fw2 h ARG 110 Cb 1.10 -0.01 -0.20 0.00 -0.42 0.00 0.00 29.97 30.44 1fw2 h ARG 110 CO 0.87 0.98 0.17 -2.00 -1.51 0.00 0.00 179.97 178.47 1fw2 s GLU 111 N -4.57 0.97 -0.04 0.20 2.56 -0.94 -5.00 118.70 111.88 1fw2 s GLU 111 Ca -0.12 0.55 -0.02 0.00 0.00 0.00 0.00 54.97 55.38 1fw2 s GLU 111 Cb 0.10 0.46 0.03 0.00 2.00 0.00 0.00 34.13 36.73 1fw2 s GLU 111 CO 0.83 -0.24 0.08 0.99 -0.56 0.00 0.00 175.26 176.36 1fw2 s THR 112 N -0.58 -0.11 -0.33 -1.70 2.01 -1.26 0.03 115.64 113.71 1fw2 s THR 112 Ca -0.07 0.31 -0.06 0.00 0.31 0.00 0.00 61.69 62.18 1fw2 s THR 112 Cb -0.02 -0.16 0.04 0.00 0.01 0.00 0.00 72.50 72.37 1fw2 s THR 112 CO 0.06 0.13 0.09 0.20 -0.69 0.00 0.00 174.62 174.41 1fw2 s ASN 113 N 1.65 5.23 -0.41 3.53 0.02 0.27 -4.02 114.94 121.20 1fw2 s ASN 113 Ca -0.02 -1.10 -0.22 0.00 -1.02 0.00 0.00 52.86 50.50 1fw2 s ASN 113 Cb -0.12 -1.85 0.02 0.00 0.02 0.00 0.00 41.25 39.32 1fw2 s ASN 113 CO -0.04 -0.30 0.72 -0.31 0.02 0.00 0.00 177.10 177.20 1fw2 s TYR 114 N 1.40 3.06 -0.62 2.20 2.02 0.11 -2.50 117.35 123.02 1fw2 s TYR 114 Ca -0.02 0.23 0.04 0.00 -0.37 0.00 0.00 57.07 56.96 1fw2 s TYR 114 Cb -0.19 -3.44 0.16 0.00 -0.40 0.00 0.00 41.96 38.09 1fw2 s TYR 114 CO 0.02 -0.84 0.43 -2.00 -1.57 0.00 0.00 175.55 171.59 1fw2 s GLU 115 N 3.04 2.05 0.43 -0.62 2.12 0.15 -1.96 118.70 123.91 1fw2 s GLU 115 Ca 0.27 -2.96 -0.13 0.00 0.36 0.00 0.00 54.97 52.52 1fw2 s GLU 115 Cb -0.13 -2.97 -0.07 0.00 0.26 0.00 0.00 34.13 31.22 1fw2 s GLU 115 CO 0.19 -1.28 0.83 -1.25 -0.54 0.00 0.00 175.26 173.21 1fw2 s PRO 116 N -0.95 3.84 0.09 4.30 0.04 -0.92 -1.90 135.00 139.51 1fw2 s PRO 116 Ca 0.25 0.62 0.01 0.00 0.04 0.00 0.00 61.00 61.93 1fw2 s PRO 116 Cb -0.06 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 1fw2 s PRO 116 CO -0.15 -0.09 -0.06 -0.65 0.04 0.00 0.00 177.00 176.09 1fw2 s GLN 117 N -3.85 0.81 -0.05 4.56 -0.21 0.67 -1.85 119.66 119.75 1fw2 s GLN 117 Ca 0.54 -1.32 -0.01 0.00 0.02 0.00 0.00 55.36 54.59 1fw2 s GLN 117 Cb -0.10 -0.17 0.03 0.00 1.00 0.00 0.00 33.01 33.77 1fw2 s GLN 117 CO 0.30 -0.03 0.02 -1.17 -2.12 0.00 0.00 175.29 172.30 1fw2 s LEU 118 N -3.02 0.58 0.25 2.90 2.96 -0.71 -2.17 118.68 119.47 1fw2 s LEU 118 Ca 0.11 -0.01 -0.16 0.00 -0.22 0.00 0.00 54.13 53.85 1fw2 s LEU 118 Cb 0.05 -0.27 0.01 0.00 0.50 0.00 0.00 46.19 46.48 1fw2 s LEU 118 CO -0.05 -0.19 0.56 0.72 -1.32 0.00 0.00 176.35 176.07 1fw2 s PHE 119 N 1.78 0.12 -0.38 5.38 -0.71 0.90 -0.03 117.98 125.03 1fw2 s PHE 119 Ca 0.01 -0.51 -0.02 0.00 -1.04 0.00 0.00 56.93 55.37 1fw2 s PHE 119 Cb -0.12 0.38 0.10 0.00 -1.21 0.00 0.00 43.02 42.17 1fw2 s PHE 119 CO -0.03 -1.06 0.15 -0.51 -1.34 0.00 0.00 175.22 172.43 1fw2 s LEU 120 N -2.96 4.99 0.10 -1.99 1.43 0.33 -0.12 118.68 120.45 1fw2 s LEU 120 Ca 0.17 -1.93 0.03 0.00 -1.03 0.00 0.00 54.13 51.37 1fw2 s LEU 120 Cb -0.02 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1fw2 s LEU 120 CO 0.07 -0.48 0.10 -0.83 0.23 0.00 0.00 176.35 175.43 1fw2 s GLY 121 N 1.62 1.97 -0.01 -3.19 0.00 -0.31 -1.10 107.32 106.29 1fw2 s GLY 121 Ca 0.07 -1.04 0.03 0.00 0.00 0.00 0.00 44.72 43.77 1fw2 s GLY 121 CO -0.04 -1.03 -0.09 -1.36 0.00 0.00 0.00 173.10 170.58 1fw2 s PHE 122 N -1.46 0.84 -0.42 1.90 0.40 0.81 -1.27 117.98 118.78 1fw2 s PHE 122 Ca 0.30 -0.17 -0.21 0.00 -0.60 0.00 0.00 56.93 56.25 1fw2 s PHE 122 Cb -0.12 -0.56 0.02 0.00 0.51 0.00 0.00 43.02 42.87 1fw2 s PHE 122 CO 0.23 -0.04 0.63 0.00 0.70 0.00 0.00 175.22 176.74 1fw2 s ALA 123 N -0.07 3.38 0.40 5.36 0.00 0.19 -1.83 121.76 129.18 1fw2 s ALA 123 Ca 0.01 -1.13 0.08 0.00 0.00 0.00 0.00 51.96 50.92 1fw2 s ALA 123 Cb -0.05 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1fw2 s ALA 123 CO -0.00 -1.67 0.25 0.95 0.00 0.00 0.00 175.76 175.29 1fw2 s THR 124 N 2.78 2.57 -0.25 0.00 -4.23 0.59 -4.83 115.64 112.26 1fw2 s THR 124 Ca 0.23 -1.57 0.18 0.00 -1.18 0.00 0.00 61.69 59.35 1fw2 s THR 124 Cb -0.14 -3.00 0.49 0.00 1.34 0.00 0.00 72.50 71.18 1fw2 s THR 124 CO 0.18 -0.03 1.14 -0.67 -0.54 0.00 0.00 174.62 174.70 1fw2 n ASP 125 N -1.33 2.59 -4.72 3.99 -0.08 -1.22 -4.00 116.55 111.77 1fw2 n ASP 125 Ca 0.00 -2.63 -0.41 0.00 -1.51 0.00 0.00 54.79 50.24 1fw2 n ASP 125 Cb 0.63 -0.43 -0.04 0.00 2.34 0.00 0.00 41.12 43.63 1fw2 n ASP 125 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1fw2 s TYR 126 N -3.47 3.66 -0.08 -0.67 1.51 -1.21 -4.90 117.35 112.19 1fw2 s TYR 126 Ca 0.35 1.65 -0.17 0.00 -1.01 0.00 0.00 57.07 57.89 1fw2 s TYR 126 Cb 0.35 -3.18 -0.05 0.00 -0.11 0.00 0.00 41.96 38.97 1fw2 s TYR 126 CO -0.02 -0.29 0.46 1.03 -1.11 0.00 0.00 175.55 175.62 1fw2 s ARG 127 N 0.27 4.23 -0.43 -0.62 1.81 -1.26 -1.30 118.95 121.65 1fw2 s ARG 127 Ca 0.50 0.46 0.10 0.00 -1.72 0.00 0.00 55.73 55.08 1fw2 s ARG 127 Cb -0.25 -3.37 0.37 0.00 -0.45 0.00 0.00 34.95 31.25 1fw2 s ARG 127 CO 0.31 0.32 0.86 1.19 -0.68 0.00 0.00 175.30 177.30 1fw2 n PHE 128 N 3.09 1.69 -3.40 -0.53 3.01 0.83 -4.97 117.46 117.20 1fw2 n PHE 128 Ca -0.09 -3.64 -0.13 0.00 1.01 0.00 0.00 57.45 54.59 1fw2 n PHE 128 Cb 0.52 -0.40 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 1fw2 n PHE 128 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1fw2 n ALA 129 N 0.01 -2.66 0.00 4.37 0.00 -1.26 -2.27 120.51 118.71 1fw2 n ALA 129 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1fw2 n ALA 129 Cb 0.61 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1fw2 n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fw2 n GLY 130 N -1.55 2.78 3.83 0.00 0.00 -1.26 -5.01 105.19 103.98 1fw2 n GLY 130 Ca -0.14 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 1fw2 n GLY 130 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1fw2 s TRP 131 N -0.72 3.35 -0.15 1.61 0.52 -0.96 -4.43 118.94 118.16 1fw2 s TRP 131 Ca 0.00 1.50 -0.01 0.00 0.02 0.00 0.00 56.10 57.60 1fw2 s TRP 131 Cb 0.00 -2.77 0.04 0.00 -1.15 0.00 0.00 33.47 29.59 1fw2 s TRP 131 CO 0.00 -0.12 -0.01 0.99 0.02 0.00 0.00 176.95 177.83 1fw2 s THR 132 N -2.23 0.72 -0.71 2.01 2.01 0.43 -0.12 115.64 117.76 1fw2 s THR 132 Ca 0.60 -0.40 -0.26 0.00 0.31 0.00 0.00 61.69 61.94 1fw2 s THR 132 Cb -0.09 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 1fw2 s THR 132 CO 0.17 0.05 1.85 -0.22 -0.69 0.00 0.00 174.62 175.79 1fw2 s LEU 133 N 1.80 3.25 -0.01 4.42 2.96 -0.42 -0.92 118.68 129.76 1fw2 s LEU 133 Ca 0.01 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.90 1fw2 s LEU 133 Cb -0.15 -2.54 -0.26 0.00 0.50 0.00 0.00 46.19 43.74 1fw2 s LEU 133 CO -0.07 -2.44 0.80 0.03 -1.32 0.00 0.00 176.35 173.34 1fw2 h ARG 134 N 13.55 0.17 -5.61 1.98 -0.00 -0.59 -3.21 114.38 120.66 1fw2 h ARG 134 Ca -0.15 -0.29 -0.60 0.00 -0.50 0.00 0.00 59.98 58.45 1fw2 h ARG 134 Cb 1.11 0.11 -0.31 0.00 0.00 0.00 0.00 29.97 30.88 1fw2 h ARG 134 CO 1.22 0.97 -0.85 -0.51 0.00 0.00 0.00 179.97 180.80 1fw2 s ASP 135 N -6.75 2.41 -0.32 7.04 -0.00 -0.74 -0.30 116.67 118.00 1fw2 s ASP 135 Ca -0.09 -0.39 -0.02 0.00 -0.00 0.00 0.00 52.55 52.06 1fw2 s ASP 135 Cb 0.07 -0.58 0.11 0.00 -0.00 0.00 0.00 42.92 42.53 1fw2 s ASP 135 CO 0.83 0.20 0.15 -0.69 -0.00 0.00 0.00 175.17 175.66 1fw2 s VAL 136 N -0.13 0.30 0.01 -1.27 1.01 -0.76 -1.26 120.40 118.31 1fw2 s VAL 136 Ca -0.01 -1.29 0.07 0.00 0.00 0.00 0.00 61.98 60.74 1fw2 s VAL 136 Cb -0.11 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1fw2 s VAL 136 CO 0.02 -0.80 -0.19 -0.70 0.00 0.00 0.00 175.10 173.42 1fw2 s GLU 137 N 1.58 2.14 -0.08 2.72 2.12 -0.22 -0.13 118.70 126.83 1fw2 s GLU 137 Ca 0.12 -0.93 -0.03 0.00 0.36 0.00 0.00 54.97 54.49 1fw2 s GLU 137 Cb -0.19 -2.18 0.04 0.00 0.26 0.00 0.00 34.13 32.06 1fw2 s GLU 137 CO -0.21 0.56 0.15 1.41 -0.54 0.00 0.00 175.26 176.63 1fw2 s MET 138 N -1.16 0.04 0.06 4.30 1.75 -0.26 0.08 119.30 124.12 1fw2 s MET 138 Ca 0.13 0.51 -0.04 0.00 -1.25 0.00 0.00 55.69 55.03 1fw2 s MET 138 Cb -0.10 -0.26 0.02 0.00 2.84 0.00 0.00 34.83 37.33 1fw2 s MET 138 CO 0.03 -0.27 0.22 0.41 -0.65 0.00 0.00 175.02 174.76 1fw2 n GLY 139 N 5.03 1.33 3.87 2.11 0.00 -0.86 -0.51 105.19 116.16 1fw2 n GLY 139 Ca -0.10 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 1fw2 n GLY 139 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1fw2 s TYR 140 N -5.82 3.59 -0.04 1.61 5.04 0.96 -1.26 117.35 121.43 1fw2 s TYR 140 Ca 0.05 0.72 0.01 0.00 -2.44 0.00 0.00 57.07 55.41 1fw2 s TYR 140 Cb -0.01 -2.11 0.02 0.00 0.35 0.00 0.00 41.96 40.22 1fw2 s TYR 140 CO 0.02 0.57 -0.03 1.21 -1.34 0.00 0.00 175.55 175.97 1fw2 s ASN 141 N -1.66 0.93 -0.14 4.32 3.84 0.24 -1.75 114.94 120.72 1fw2 s ASN 141 Ca 0.30 -0.10 0.01 0.00 0.21 0.00 0.00 52.86 53.28 1fw2 s ASN 141 Cb -0.14 -0.40 -0.00 0.00 -0.55 0.00 0.00 41.25 40.15 1fw2 s ASN 141 CO 0.17 -0.08 -0.17 -2.28 -2.79 0.00 0.00 177.10 171.95 1fw2 s HIS 142 N 1.07 2.74 -0.17 0.43 5.65 -0.77 -0.40 115.29 123.84 1fw2 s HIS 142 Ca -0.09 -0.98 -0.03 0.00 0.25 0.00 0.00 55.06 54.22 1fw2 s HIS 142 Cb -0.14 -1.84 0.05 0.00 -1.18 0.00 0.00 32.58 29.48 1fw2 s HIS 142 CO -0.01 -0.42 0.03 0.34 -0.65 0.00 0.00 174.74 174.03 1fw2 s ASP 143 N 0.62 2.67 0.05 9.88 2.15 -0.82 -2.17 116.67 129.05 1fw2 s ASP 143 Ca -0.09 -0.69 -0.01 0.00 0.43 0.00 0.00 52.55 52.19 1fw2 s ASP 143 Cb -0.16 -0.56 -0.03 0.00 -0.30 0.00 0.00 42.92 41.86 1fw2 s ASP 143 CO 0.03 -0.29 -0.02 -0.94 -0.17 0.00 0.00 175.17 173.78 1fw2 s SER 144 N 1.88 0.42 0.00 -0.34 1.04 -0.83 -1.36 113.70 114.52 1fw2 s SER 144 Ca 0.00 -0.88 0.22 0.00 0.48 0.00 0.00 55.95 55.77 1fw2 s SER 144 Cb -0.16 0.19 0.50 0.00 0.10 0.00 0.00 66.02 66.64 1fw2 s SER 144 CO -0.08 -0.55 1.43 -0.46 0.98 0.00 0.00 173.24 174.57 1fw2 n ASN 145 N 0.40 3.02 -2.99 7.02 0.23 -1.00 0.10 115.26 122.03 1fw2 n ASN 145 Ca -0.16 -1.93 -0.22 0.00 -0.53 0.00 0.00 54.58 51.74 1fw2 n ASN 145 Cb 0.60 -0.22 0.02 0.00 -2.08 0.00 0.00 39.78 38.10 1fw2 n ASN 145 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1fw2 n GLY 146 N 1.41 -0.51 3.57 4.83 0.00 -1.26 -4.50 105.19 108.74 1fw2 n GLY 146 Ca 0.18 0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 1fw2 n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fw2 s ARG 147 N -5.66 2.46 -0.01 1.61 1.81 -1.26 -5.11 118.95 112.79 1fw2 s ARG 147 Ca 0.27 -0.78 -0.24 0.00 -1.72 0.00 0.00 55.73 53.27 1fw2 s ARG 147 Cb -0.13 -2.44 -0.05 0.00 -0.45 0.00 0.00 34.95 31.88 1fw2 s ARG 147 CO 0.34 0.59 0.72 -1.54 -0.68 0.00 0.00 175.30 174.73 1fw2 s SER 148 N -1.47 7.10 1.00 0.23 1.04 -1.26 -4.19 113.70 116.15 1fw2 s SER 148 Ca 0.17 1.31 -0.18 0.00 0.48 0.00 0.00 55.95 57.74 1fw2 s SER 148 Cb -0.11 -2.44 -0.11 0.00 0.10 0.00 0.00 66.02 63.47 1fw2 s SER 148 CO 0.08 -0.03 -0.63 -0.90 0.98 0.00 0.00 173.24 172.73 1fw2 n ASP 149 N 3.22 -4.59 0.26 7.02 5.75 -1.26 -3.68 116.55 123.26 1fw2 n ASP 149 Ca -0.02 0.17 0.11 0.00 -0.01 0.00 0.00 54.79 55.04 1fw2 n ASP 149 Cb 0.51 -0.82 0.70 0.00 -1.03 0.00 0.00 41.12 40.48 1fw2 n ASP 149 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1fw2 h PRO 150 N -1.17 0.00 -0.55 0.11 0.13 -1.96 -3.43 132.00 125.12 1fw2 h PRO 150 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1fw2 h PRO 150 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1fw2 h PRO 150 CO 0.26 0.12 0.00 0.25 -0.23 0.00 0.00 178.00 178.40 1fw2 n THR 151 N -3.79 0.00 -2.53 1.56 -2.24 -1.24 -4.83 114.28 101.20 1fw2 n THR 151 Ca -0.02 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 1fw2 n THR 151 Cb 0.22 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.13 1fw2 n THR 151 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1fw2 s SER 152 N -0.50 7.10 -0.03 3.42 0.15 -1.26 -4.73 113.70 117.86 1fw2 s SER 152 Ca 0.00 1.69 0.00 0.00 0.70 0.00 0.00 55.95 58.34 1fw2 s SER 152 Cb 0.00 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.78 1fw2 s SER 152 CO 0.00 -0.57 -0.00 -0.60 1.20 0.00 0.00 173.24 173.26 1fw2 s ARG 153 N 2.37 0.36 -0.14 5.44 6.06 -1.26 -4.68 118.95 127.10 1fw2 s ARG 153 Ca 0.53 0.06 -0.30 0.00 -2.50 0.00 0.00 55.73 53.51 1fw2 s ARG 153 Cb -0.22 -0.52 0.12 0.00 0.06 0.00 0.00 34.95 34.39 1fw2 s ARG 153 CO 0.19 -0.13 0.98 -1.54 -2.50 0.00 0.00 175.30 172.30 1fw2 s SER 154 N 1.02 -0.37 -0.01 -2.12 1.04 -1.26 -2.37 113.70 109.64 1fw2 s SER 154 Ca -0.10 0.36 -0.24 0.00 0.48 0.00 0.00 55.95 56.45 1fw2 s SER 154 Cb -0.14 0.31 0.05 0.00 0.10 0.00 0.00 66.02 66.35 1fw2 s SER 154 CO -0.02 -0.38 0.52 -1.66 0.98 0.00 0.00 173.24 172.69 1fw2 s TRP 155 N -1.36 -0.45 0.05 5.02 1.48 -0.47 -4.63 118.94 118.58 1fw2 s TRP 155 Ca -0.01 0.67 0.07 0.00 -1.06 0.00 0.00 56.10 55.77 1fw2 s TRP 155 Cb -0.01 0.30 -0.03 0.00 -1.16 0.00 0.00 33.47 32.57 1fw2 s TRP 155 CO 0.00 -0.56 -0.17 -0.80 -4.06 0.00 0.00 176.95 171.36 1fw2 s ASN 156 N -1.49 3.86 -0.02 -2.66 0.01 -1.25 -1.94 114.94 111.44 1fw2 s ASN 156 Ca -0.10 -0.43 -0.04 0.00 -0.71 0.00 0.00 52.86 51.59 1fw2 s ASN 156 Cb -0.02 -0.63 0.01 0.00 0.41 0.00 0.00 41.25 41.02 1fw2 s ASN 156 CO 0.05 0.25 0.10 -0.13 -1.51 0.00 0.00 177.10 175.85 1fw2 s ARG 157 N -1.52 0.21 -0.41 -0.60 0.52 0.46 -0.93 118.95 116.68 1fw2 s ARG 157 Ca 0.15 -0.04 -0.08 0.00 -0.52 0.00 0.00 55.73 55.24 1fw2 s ARG 157 Cb -0.11 0.09 0.08 0.00 0.52 0.00 0.00 34.95 35.53 1fw2 s ARG 157 CO 0.06 -0.04 0.23 -1.17 0.02 0.00 0.00 175.30 174.40 1fw2 s LEU 158 N -0.39 5.05 0.52 2.53 2.96 0.07 0.79 118.68 130.22 1fw2 s LEU 158 Ca -0.05 -1.53 0.02 0.00 -0.22 0.00 0.00 54.13 52.35 1fw2 s LEU 158 Cb -0.03 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.71 1fw2 s LEU 158 CO 0.00 -0.51 0.08 -0.72 -1.32 0.00 0.00 176.35 173.88 1fw2 s TYR 159 N 1.38 1.77 -0.08 5.38 1.13 -0.39 -0.56 117.35 125.99 1fw2 s TYR 159 Ca 0.03 -0.96 -0.03 0.00 -1.41 0.00 0.00 57.07 54.70 1fw2 s TYR 159 Cb -0.23 -1.65 0.04 0.00 -1.10 0.00 0.00 41.96 39.02 1fw2 s TYR 159 CO 0.01 0.08 0.08 0.99 -2.51 0.00 0.00 175.55 174.20 1fw2 s THR 160 N -2.87 -0.12 -0.31 -3.49 2.01 -0.53 -2.03 115.64 108.31 1fw2 s THR 160 Ca 0.09 0.26 -0.12 0.00 0.31 0.00 0.00 61.69 62.22 1fw2 s THR 160 Cb 0.00 -0.28 -0.03 0.00 0.01 0.00 0.00 72.50 72.20 1fw2 s THR 160 CO 0.05 0.05 0.23 -0.60 -0.69 0.00 0.00 174.62 173.66 1fw2 s ARG 161 N 2.17 3.74 -0.15 4.92 3.52 0.11 -2.65 118.95 130.62 1fw2 s ARG 161 Ca 0.04 -0.44 -0.01 0.00 -0.13 0.00 0.00 55.73 55.19 1fw2 s ARG 161 Cb -0.13 -3.73 -0.01 0.00 -1.56 0.00 0.00 34.95 29.52 1fw2 s ARG 161 CO -0.05 -0.31 -0.11 -0.51 -0.81 0.00 0.00 175.30 173.51 1fw2 s LEU 162 N 1.77 2.77 -0.07 -0.88 1.43 -0.03 -1.05 118.68 122.62 1fw2 s LEU 162 Ca 0.07 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1fw2 s LEU 162 Cb -0.17 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.43 1fw2 s LEU 162 CO 0.11 0.13 -0.07 -0.32 0.23 0.00 0.00 176.35 176.42 1fw2 s MET 163 N 0.59 1.28 0.08 1.70 1.75 -0.39 -0.86 119.30 123.45 1fw2 s MET 163 Ca -0.07 -0.22 0.06 0.00 -1.25 0.00 0.00 55.69 54.21 1fw2 s MET 163 Cb -0.15 -1.24 -0.03 0.00 2.84 0.00 0.00 34.83 36.24 1fw2 s MET 163 CO 0.03 -0.12 -0.17 0.00 -0.65 0.00 0.00 175.02 174.11 1fw2 s ALA 164 N 1.17 1.41 0.03 4.11 0.00 0.09 -0.04 121.76 128.53 1fw2 s ALA 164 Ca -0.06 -1.07 0.05 0.00 0.00 0.00 0.00 51.96 50.88 1fw2 s ALA 164 Cb -0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 1fw2 s ALA 164 CO -0.02 0.25 -0.13 -1.21 0.00 0.00 0.00 175.76 174.65 1fw2 s GLU 165 N -1.70 0.92 -0.35 0.00 2.02 -0.09 -1.07 118.70 118.43 1fw2 s GLU 165 Ca 0.02 -0.70 -0.00 0.00 0.02 0.00 0.00 54.97 54.30 1fw2 s GLU 165 Cb -0.10 -0.91 0.14 0.00 0.10 0.00 0.00 34.13 33.36 1fw2 s GLU 165 CO 0.03 0.23 0.21 1.21 0.02 0.00 0.00 175.26 176.96 1fw2 s ASN 166 N -1.01 2.95 1.63 -0.19 3.84 -0.48 -0.43 114.94 121.25 1fw2 s ASN 166 Ca 0.02 -2.13 0.00 0.00 0.21 0.00 0.00 52.86 50.96 1fw2 s ASN 166 Cb -0.07 -0.37 0.00 0.00 -0.55 0.00 0.00 41.25 40.26 1fw2 s ASN 166 CO 0.01 -0.31 0.00 0.61 -2.79 0.00 0.00 177.10 174.61 1fw2 n GLY 167 N 4.11 2.38 0.65 1.21 0.00 -1.26 -1.23 105.19 111.05 1fw2 n GLY 167 Ca 0.11 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.28 1fw2 n GLY 167 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fw2 n ASN 168 N 10.28 1.93 -4.79 1.61 5.03 -1.26 -4.88 115.26 123.18 1fw2 n ASN 168 Ca 0.00 -1.81 -0.33 0.00 0.87 0.00 0.00 54.58 53.31 1fw2 n ASN 168 Cb 0.00 -0.16 -0.07 0.00 -1.02 0.00 0.00 39.78 38.53 1fw2 n ASN 168 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1fw2 s TRP 169 N -1.68 3.29 -0.03 3.10 0.52 -0.36 0.14 118.94 123.92 1fw2 s TRP 169 Ca 0.31 0.20 0.00 0.00 0.02 0.00 0.00 56.10 56.63 1fw2 s TRP 169 Cb 0.17 -1.73 0.03 0.00 -1.15 0.00 0.00 33.47 30.79 1fw2 s TRP 169 CO 0.24 0.55 0.00 -1.17 0.02 0.00 0.00 176.95 176.60 1fw2 s LEU 170 N -1.87 1.06 -0.06 2.99 0.20 0.70 -1.38 118.68 120.33 1fw2 s LEU 170 Ca 0.24 -0.02 0.01 0.00 0.69 0.00 0.00 54.13 55.05 1fw2 s LEU 170 Cb -0.12 -0.23 0.02 0.00 -0.43 0.00 0.00 46.19 45.43 1fw2 s LEU 170 CO 0.16 -0.12 -0.06 -0.69 -0.29 0.00 0.00 176.35 175.36 1fw2 s VAL 171 N 1.17 0.67 -0.09 1.68 1.01 -0.23 -0.64 120.40 123.97 1fw2 s VAL 171 Ca -0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 1fw2 s VAL 171 Cb -0.13 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.58 1fw2 s VAL 171 CO -0.02 0.27 -0.05 -0.70 0.00 0.00 0.00 175.10 174.60 1fw2 s GLU 172 N 1.07 1.14 -0.14 2.72 2.12 0.41 -0.73 118.70 125.28 1fw2 s GLU 172 Ca -0.08 -0.12 -0.03 0.00 0.36 0.00 0.00 54.97 55.09 1fw2 s GLU 172 Cb -0.14 -1.27 -0.03 0.00 0.26 0.00 0.00 34.13 32.94 1fw2 s GLU 172 CO -0.01 -0.24 -0.02 0.54 -0.54 0.00 0.00 175.26 175.00 1fw2 s VAL 173 N 1.63 4.09 -0.61 3.70 0.11 -0.04 -0.20 120.40 129.09 1fw2 s VAL 173 Ca 0.02 -0.30 0.06 0.00 -2.93 0.00 0.00 61.98 58.83 1fw2 s VAL 173 Cb -0.13 -2.78 0.23 0.00 -1.53 0.00 0.00 36.38 32.17 1fw2 s VAL 173 CO -0.05 0.52 0.63 1.17 -3.33 0.00 0.00 175.10 174.04 1fw2 n LYS 174 N 3.14 1.95 -1.85 1.54 4.81 0.08 -0.85 118.16 126.98 1fw2 n LYS 174 Ca -0.18 -4.33 -0.34 0.00 -0.87 0.00 0.00 58.31 52.59 1fw2 n LYS 174 Cb 0.53 -2.08 0.04 0.00 0.02 0.00 0.00 35.03 33.54 1fw2 n LYS 174 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1fw2 s PRO 175 N -1.89 2.81 0.21 1.64 0.04 -1.08 -2.38 135.00 134.35 1fw2 s PRO 175 Ca 0.35 1.63 -0.09 0.00 0.04 0.00 0.00 61.00 62.94 1fw2 s PRO 175 Cb 0.10 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.70 1fw2 s PRO 175 CO -0.08 -1.29 0.34 1.67 0.04 0.00 0.00 177.00 177.68 1fw2 s TRP 176 N -1.95 0.54 -0.09 0.56 -2.14 0.34 -1.45 118.94 114.75 1fw2 s TRP 176 Ca 0.73 -0.87 -0.02 0.00 2.66 0.00 0.00 56.10 58.60 1fw2 s TRP 176 Cb -0.26 -0.05 0.03 0.00 -3.10 0.00 0.00 33.47 30.09 1fw2 s TRP 176 CO 0.37 -0.82 0.02 -0.47 -2.66 0.00 0.00 176.95 173.39 1fw2 s TYR 177 N -4.03 0.60 0.07 1.66 6.14 0.27 -4.78 117.35 117.28 1fw2 s TYR 177 Ca 0.24 -0.21 -0.31 0.00 0.64 0.00 0.00 57.07 57.44 1fw2 s TYR 177 Cb 0.02 -0.78 -0.08 0.00 0.42 0.00 0.00 41.96 41.55 1fw2 s TYR 177 CO 0.06 -0.36 1.54 0.08 0.64 0.00 0.00 175.55 177.51 1fw2 s VAL 178 N 2.00 3.22 0.10 3.14 1.01 -1.26 -0.75 120.40 127.85 1fw2 s VAL 178 Ca 0.04 0.71 0.09 0.00 0.00 0.00 0.00 61.98 62.82 1fw2 s VAL 178 Cb -0.13 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1fw2 s VAL 178 CO -0.06 0.01 -0.23 0.68 0.00 0.00 0.00 175.10 175.51 1fw2 s VAL 179 N 2.21 1.88 0.00 2.92 -7.23 -0.11 -4.92 120.40 115.16 1fw2 s VAL 179 Ca 0.69 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.32 1fw2 s VAL 179 Cb -0.37 -1.68 0.00 0.00 0.56 0.00 0.00 36.38 34.89 1fw2 s VAL 179 CO 0.30 0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.74 1fw2 n GLY 180 N 1.18 -1.87 3.77 2.32 0.00 -1.26 -3.76 105.19 105.57 1fw2 n GLY 180 Ca -0.19 -1.39 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 1fw2 n GLY 180 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fw2 s ASN 181 N -4.00 5.70 0.00 1.61 3.84 -1.26 -4.93 114.94 115.91 1fw2 s ASN 181 Ca 0.00 2.22 0.00 0.00 0.21 0.00 0.00 52.86 55.29 1fw2 s ASN 181 Cb 0.00 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 38.11 1fw2 s ASN 181 CO 0.00 -1.23 0.53 0.35 -2.79 0.00 0.00 177.10 173.96 1fw2 n THR 182 N -1.25 0.00 0.33 -5.21 -2.24 -1.26 -4.43 114.28 100.22 1fw2 n THR 182 Ca 0.11 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 62.10 1fw2 n THR 182 Cb 0.50 0.41 1.08 0.00 -2.10 0.00 0.00 70.33 70.23 1fw2 n THR 182 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1fw2 h ASP 183 N 0.00 0.00 1.12 3.42 3.04 -1.93 0.51 116.42 122.58 1fw2 h ASP 183 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1fw2 h ASP 183 Cb 1.11 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.40 1fw2 h ASP 183 CO 0.00 0.00 0.00 0.44 -2.04 0.00 0.00 179.24 177.64 1fw2 h ASP 184 N 0.00 0.00 0.00 4.15 3.32 -1.84 -3.37 116.42 118.68 1fw2 h ASP 184 Ca 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 1fw2 h ASP 184 Cb 0.21 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.62 1fw2 h ASP 184 CO 0.00 0.00 -0.28 -0.46 -1.72 0.00 0.00 179.24 176.78 1fw2 n ASN 185 N -2.84 -2.14 -0.31 6.45 6.94 0.71 -4.65 115.26 119.42 1fw2 n ASN 185 Ca 0.02 -2.63 0.09 0.00 -0.02 0.00 0.00 54.58 52.04 1fw2 n ASN 185 Cb 0.33 1.34 0.26 0.00 -2.36 0.00 0.00 39.78 39.35 1fw2 n ASN 185 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 1fw2 h PRO 186 N 3.54 0.61 -1.00 -0.53 0.13 -0.35 -1.62 132.00 132.78 1fw2 h PRO 186 Ca -0.19 -0.04 -0.31 0.00 -0.87 0.00 0.00 66.00 64.60 1fw2 h PRO 186 Cb 1.11 -0.14 -0.18 0.00 0.13 0.00 0.00 31.00 31.92 1fw2 h PRO 186 CO 0.09 0.41 0.39 -0.40 -0.23 0.00 0.00 178.00 178.25 1fw2 n ASP 187 N -4.87 3.45 0.15 1.44 5.75 -1.26 -4.44 116.55 116.77 1fw2 n ASP 187 Ca 0.19 -2.95 0.04 0.00 -0.01 0.00 0.00 54.79 52.06 1fw2 n ASP 187 Cb 0.50 -0.70 0.44 0.00 -1.03 0.00 0.00 41.12 40.32 1fw2 n ASP 187 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1fw2 h ILE 188 N 0.59 1.15 0.00 2.12 2.10 -1.63 -1.07 117.51 120.76 1fw2 h ILE 188 Ca 0.38 -0.64 -0.04 0.00 1.08 0.00 0.00 64.86 65.63 1fw2 h ILE 188 Cb 2.10 1.17 -0.01 0.00 -1.09 0.00 0.00 36.82 39.00 1fw2 h ILE 188 CO 0.65 0.20 -0.21 0.74 -1.08 0.00 0.00 178.15 178.46 1fw2 h THR 189 N 0.18 0.51 0.00 2.19 2.02 -1.84 -1.01 112.91 114.96 1fw2 h THR 189 Ca 0.04 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.16 1fw2 h THR 189 Cb 0.30 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 1fw2 h THR 189 CO 0.02 0.20 0.00 0.50 0.37 0.00 0.00 175.52 176.61 1fw2 h LYS 190 N 0.00 0.00 0.00 6.66 3.11 -1.52 -1.31 116.57 123.51 1fw2 h LYS 190 Ca -0.00 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.76 1fw2 h LYS 190 Cb 0.72 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.94 1fw2 h LYS 190 CO 0.03 0.00 -1.29 0.66 -2.81 0.00 0.00 179.45 176.04 1fw2 n TYR 191 N -2.71 0.00 0.04 1.91 4.01 -1.06 -4.47 117.16 114.87 1fw2 n TYR 191 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.58 1fw2 n TYR 191 Cb 0.22 -0.20 -0.14 0.00 -0.31 0.00 0.00 39.34 38.91 1fw2 n TYR 191 CO 0.00 0.00 0.00 0.52 -0.46 0.00 0.00 176.86 176.92 1fw2 h MET 192 N 0.00 0.22 0.00 -0.72 2.86 -1.20 -3.21 114.93 112.89 1fw2 h MET 192 Ca -0.11 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 1fw2 h MET 192 Cb 1.23 0.14 0.00 0.00 0.06 0.00 0.00 31.60 33.03 1fw2 h MET 192 CO -0.00 1.05 0.00 0.41 1.06 0.00 0.00 176.91 179.43 1fw2 n GLY 193 N 1.73 -0.94 0.00 8.32 0.00 -0.50 -3.84 105.19 109.96 1fw2 n GLY 193 Ca -0.20 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1fw2 n GLY 193 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1fw2 n TYR 194 N 0.00 0.00 -3.78 1.61 4.02 -1.26 -4.80 117.16 112.94 1fw2 n TYR 194 Ca 0.00 -0.20 -0.05 0.00 -0.01 0.00 0.00 57.90 57.64 1fw2 n TYR 194 Cb 0.00 -0.02 -0.02 0.00 -0.02 0.00 0.00 39.34 39.28 1fw2 n TYR 194 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 1fw2 s TYR 195 N -0.39 -0.18 -0.22 -0.72 1.13 -1.26 -0.51 117.35 115.20 1fw2 s TYR 195 Ca 0.00 -0.19 -0.03 0.00 -1.41 0.00 0.00 57.07 55.44 1fw2 s TYR 195 Cb 0.00 0.66 0.07 0.00 -1.10 0.00 0.00 41.96 41.60 1fw2 s TYR 195 CO 0.00 -1.00 0.07 -1.14 -2.51 0.00 0.00 175.55 170.97 1fw2 s GLN 196 N -3.57 0.48 0.36 -3.49 0.74 -1.00 -4.30 119.66 108.88 1fw2 s GLN 196 Ca 0.11 -0.48 -0.20 0.00 0.05 0.00 0.00 55.36 54.84 1fw2 s GLN 196 Cb -0.03 -1.89 -0.10 0.00 1.10 0.00 0.00 33.01 32.09 1fw2 s GLN 196 CO 0.03 -0.76 0.86 -1.17 -0.55 0.00 0.00 175.29 173.70 1fw2 s LEU 197 N 1.91 4.08 -0.14 3.68 2.96 -0.50 -0.74 118.68 129.93 1fw2 s LEU 197 Ca 0.03 1.56 -0.05 0.00 -0.22 0.00 0.00 54.13 55.44 1fw2 s LEU 197 Cb -0.17 -4.23 0.07 0.00 0.50 0.00 0.00 46.19 42.36 1fw2 s LEU 197 CO -0.16 -0.23 0.30 -0.75 -1.32 0.00 0.00 176.35 174.19 1fw2 s LYS 198 N -2.83 0.20 -0.10 1.98 2.20 0.72 -1.53 119.74 120.38 1fw2 s LYS 198 Ca 0.56 0.77 0.02 0.00 -0.36 0.00 0.00 55.97 56.96 1fw2 s LYS 198 Cb -0.12 0.02 0.01 0.00 -1.51 0.00 0.00 37.83 36.23 1fw2 s LYS 198 CO 0.17 -0.26 -0.16 0.42 -0.36 0.00 0.00 175.35 175.16 1fw2 s ILE 199 N 2.24 1.53 -0.02 5.43 1.01 0.12 -0.45 121.20 131.06 1fw2 s ILE 199 Ca -0.01 -0.69 0.06 0.00 0.00 0.00 0.00 60.65 60.01 1fw2 s ILE 199 Cb -0.12 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 1fw2 s ILE 199 CO -0.09 0.45 -0.21 -0.83 0.00 0.00 0.00 174.94 174.25 1fw2 s GLY 200 N 0.76 1.06 -0.08 6.18 0.00 0.19 0.55 107.32 115.98 1fw2 s GLY 200 Ca -0.11 -0.92 0.02 0.00 0.00 0.00 0.00 44.72 43.70 1fw2 s GLY 200 CO 0.02 -0.73 -0.11 -0.47 0.00 0.00 0.00 173.10 171.80 1fw2 s TYR 201 N -0.45 1.49 -0.46 1.90 6.14 0.82 -0.21 117.35 126.58 1fw2 s TYR 201 Ca 0.07 -0.61 -0.17 0.00 0.64 0.00 0.00 57.07 57.00 1fw2 s TYR 201 Cb -0.09 -1.13 0.05 0.00 0.42 0.00 0.00 41.96 41.21 1fw2 s TYR 201 CO -0.00 -0.34 0.48 -1.58 0.64 0.00 0.00 175.55 174.74 1fw2 s HIS 202 N 0.92 3.16 -1.01 4.97 2.46 0.12 -0.93 115.29 124.98 1fw2 s HIS 202 Ca -0.10 -0.59 -0.04 0.00 0.47 0.00 0.00 55.06 54.81 1fw2 s HIS 202 Cb -0.15 -3.16 0.28 0.00 -0.13 0.00 0.00 32.58 29.42 1fw2 s HIS 202 CO 0.01 -0.83 1.19 -0.11 -2.47 0.00 0.00 174.74 172.52 1fw2 n LEU 203 N 5.65 5.52 0.00 8.88 7.94 0.50 -4.78 117.00 140.71 1fw2 n LEU 203 Ca -0.09 -5.18 0.00 0.00 -1.11 0.00 0.00 56.01 49.63 1fw2 n LEU 203 Cb 0.46 -1.23 0.00 0.00 0.53 0.00 0.00 43.42 43.18 1fw2 n LEU 203 CO 0.49 1.62 0.00 0.61 -1.11 0.00 0.00 177.39 179.00 1fw2 n GLY 204 N 1.79 1.12 0.05 -3.96 0.00 -1.26 -2.44 105.19 100.49 1fw2 n GLY 204 Ca 0.25 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.82 1fw2 n GLY 204 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fw2 n ASP 205 N 7.40 0.64 -4.73 1.61 8.00 -1.26 -4.82 116.55 123.39 1fw2 n ASP 205 Ca 0.00 0.08 -0.41 0.00 0.71 0.00 0.00 54.79 55.17 1fw2 n ASP 205 Cb 0.00 0.12 -0.04 0.00 -0.02 0.00 0.00 41.12 41.18 1fw2 n ASP 205 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fw2 s ALA 206 N -3.13 3.27 -0.23 2.24 0.00 -1.02 -4.38 121.76 118.51 1fw2 s ALA 206 Ca 0.08 0.62 0.02 0.00 0.00 0.00 0.00 51.96 52.68 1fw2 s ALA 206 Cb 0.14 -3.29 0.05 0.00 0.00 0.00 0.00 23.12 20.02 1fw2 s ALA 206 CO 0.71 -0.05 -0.13 0.08 0.00 0.00 0.00 175.76 176.36 1fw2 s VAL 207 N -0.07 2.07 -0.05 0.00 1.01 -0.50 -0.37 120.40 122.49 1fw2 s VAL 207 Ca 0.47 -1.37 -0.17 0.00 0.00 0.00 0.00 61.98 60.91 1fw2 s VAL 207 Cb -0.25 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 1fw2 s VAL 207 CO 0.31 0.15 0.45 -0.22 0.00 0.00 0.00 175.10 175.78 1fw2 s LEU 208 N 1.19 4.38 0.05 3.92 2.96 -0.10 -1.40 118.68 129.67 1fw2 s LEU 208 Ca -0.04 0.91 -0.01 0.00 -0.22 0.00 0.00 54.13 54.77 1fw2 s LEU 208 Cb -0.18 -2.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.82 1fw2 s LEU 208 CO -0.08 0.17 -0.03 -0.94 -1.32 0.00 0.00 176.35 174.16 1fw2 s SER 209 N -0.28 0.48 -0.04 3.68 1.04 0.12 -0.13 113.70 118.57 1fw2 s SER 209 Ca 0.25 -0.96 -0.02 0.00 0.48 0.00 0.00 55.95 55.70 1fw2 s SER 209 Cb -0.16 0.19 0.03 0.00 0.10 0.00 0.00 66.02 66.18 1fw2 s SER 209 CO 0.12 -0.57 0.08 0.00 0.98 0.00 0.00 173.24 173.85 1fw2 s ALA 210 N -3.72 -0.11 -0.09 5.32 0.00 0.19 -0.81 121.76 122.54 1fw2 s ALA 210 Ca 0.05 0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.39 1fw2 s ALA 210 Cb 0.07 -0.29 0.04 0.00 0.00 0.00 0.00 23.12 22.94 1fw2 s ALA 210 CO -0.09 -0.11 0.09 0.21 0.00 0.00 0.00 175.76 175.86 1fw2 s LYS 211 N 0.83 -0.01 0.25 0.00 2.20 -0.51 0.12 119.74 122.61 1fw2 s LYS 211 Ca -0.07 0.26 -0.10 0.00 -0.36 0.00 0.00 55.97 55.71 1fw2 s LYS 211 Cb -0.09 -0.89 -0.01 0.00 -1.51 0.00 0.00 37.83 35.33 1fw2 s LYS 211 CO -0.03 -0.44 0.42 0.20 -0.36 0.00 0.00 175.35 175.13 1fw2 s GLY 212 N 2.19 0.76 0.04 5.54 0.00 -0.58 -0.52 107.32 114.75 1fw2 s GLY 212 Ca 0.04 -1.07 0.02 0.00 0.00 0.00 0.00 44.72 43.71 1fw2 s GLY 212 CO -0.06 -0.79 -0.08 -0.86 0.00 0.00 0.00 173.10 171.32 1fw2 s GLN 213 N -3.97 0.52 -0.26 2.90 0.00 -0.71 -1.42 119.66 116.73 1fw2 s GLN 213 Ca 0.26 -0.76 -0.15 0.00 -0.00 0.00 0.00 55.36 54.71 1fw2 s GLN 213 Cb 0.01 -0.28 0.08 0.00 0.00 0.00 0.00 33.01 32.82 1fw2 s GLN 213 CO 0.10 0.05 0.65 -0.47 0.00 0.00 0.00 175.29 175.62 1fw2 s TYR 214 N -1.40 -0.99 -0.60 9.60 5.04 -1.25 -2.26 117.35 125.49 1fw2 s TYR 214 Ca -0.10 2.00 -0.18 0.00 -2.44 0.00 0.00 57.07 56.35 1fw2 s TYR 214 Cb -0.10 0.57 0.11 0.00 0.35 0.00 0.00 41.96 42.89 1fw2 s TYR 214 CO 0.00 -0.49 0.69 1.21 -1.34 0.00 0.00 175.55 175.61 1fw2 s ASN 215 N 1.54 6.21 0.05 4.32 3.84 0.13 -4.57 114.94 126.47 1fw2 s ASN 215 Ca -0.09 -1.55 0.05 0.00 0.21 0.00 0.00 52.86 51.48 1fw2 s ASN 215 Cb -0.05 -2.29 0.27 0.00 -0.55 0.00 0.00 41.25 38.63 1fw2 s ASN 215 CO -0.18 -1.06 1.17 0.79 -2.79 0.00 0.00 177.10 175.03 1fw2 n TRP 216 N 6.09 0.12 -0.08 0.43 7.02 -1.26 0.16 117.44 129.92 1fw2 n TRP 216 Ca -0.09 0.06 -0.07 0.00 -1.02 0.00 0.00 57.50 56.38 1fw2 n TRP 216 Cb 0.42 -0.60 -0.16 0.00 -2.42 0.00 0.00 31.31 28.56 1fw2 n TRP 216 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1fw2 n ASN 217 N -1.63 0.08 -0.03 -0.99 3.02 -1.26 -4.50 115.26 109.96 1fw2 n ASN 217 Ca 0.00 0.04 0.06 0.00 -0.03 0.00 0.00 54.58 54.65 1fw2 n ASN 217 Cb 0.03 1.02 -0.06 0.00 -0.61 0.00 0.00 39.78 40.16 1fw2 n ASN 217 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1fw2 n THR 218 N -2.72 0.00 -0.81 3.41 -2.24 -0.82 -4.99 114.28 106.11 1fw2 n THR 218 Ca -0.28 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1fw2 n THR 218 Cb 1.08 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 70.32 1fw2 n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fw2 n GLY 219 N 1.25 0.59 3.93 3.38 0.00 0.12 -4.99 105.19 109.48 1fw2 n GLY 219 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1fw2 n GLY 219 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fw2 s TYR 220 N -2.76 3.37 -5.00 1.61 1.51 -1.24 -4.89 117.35 109.95 1fw2 s TYR 220 Ca 0.00 0.55 0.00 0.00 -1.01 0.00 0.00 57.07 56.61 1fw2 s TYR 220 Cb 0.00 -2.38 0.00 0.00 -0.11 0.00 0.00 41.96 39.47 1fw2 s TYR 220 CO 0.00 -0.41 0.00 0.41 -1.11 0.00 0.00 175.55 174.44 1fw2 n GLY 221 N -2.25 -1.80 3.63 0.71 0.00 -1.21 -0.70 105.19 103.57 1fw2 n GLY 221 Ca 0.01 -1.46 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 1fw2 n GLY 221 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fw2 s GLY 222 N 0.00 -0.08 0.12 -0.02 0.00 -0.96 -1.01 107.32 105.37 1fw2 s GLY 222 Ca 0.00 -0.24 -0.19 0.00 0.00 0.00 0.00 44.72 44.29 1fw2 s GLY 222 CO 0.00 -0.19 0.48 0.00 0.00 0.00 0.00 173.10 173.39 1fw2 s ALA 223 N -3.89 -1.21 -0.03 3.20 0.00 -0.25 -1.73 121.76 117.84 1fw2 s ALA 223 Ca 0.10 0.25 -0.00 0.00 0.00 0.00 0.00 51.96 52.31 1fw2 s ALA 223 Cb -0.03 0.69 0.03 0.00 0.00 0.00 0.00 23.12 23.81 1fw2 s ALA 223 CO 0.01 -0.65 0.02 -1.83 0.00 0.00 0.00 175.76 173.30 1fw2 s GLU 224 N -3.50 0.16 0.03 0.00 -1.05 0.32 -0.36 118.70 114.30 1fw2 s GLU 224 Ca 0.01 0.16 -0.02 0.00 -0.15 0.00 0.00 54.97 54.97 1fw2 s GLU 224 Cb 0.00 -0.45 -0.04 0.00 -0.44 0.00 0.00 34.13 33.20 1fw2 s GLU 224 CO -0.10 -0.19 0.21 -0.51 0.95 0.00 0.00 175.26 175.62 1fw2 s LEU 225 N 1.28 4.36 -0.04 1.83 1.43 -0.69 -1.42 118.68 125.44 1fw2 s LEU 225 Ca -0.06 0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 53.25 1fw2 s LEU 225 Cb -0.13 -2.82 0.02 0.00 0.03 0.00 0.00 46.19 43.29 1fw2 s LEU 225 CO -0.03 0.21 0.26 -0.83 0.23 0.00 0.00 176.35 176.19 1fw2 s GLY 226 N -2.23 -0.12 -0.04 -3.19 0.00 0.01 -0.81 107.32 100.94 1fw2 s GLY 226 Ca 0.32 0.38 0.02 0.00 0.00 0.00 0.00 44.72 45.43 1fw2 s GLY 226 CO 0.23 0.22 -0.09 -2.27 0.00 0.00 0.00 173.10 171.20 1fw2 s LEU 227 N -0.82 1.64 0.08 0.66 2.96 -0.55 0.15 118.68 122.80 1fw2 s LEU 227 Ca -0.09 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1fw2 s LEU 227 Cb -0.05 -0.59 -0.04 0.00 0.50 0.00 0.00 46.19 46.01 1fw2 s LEU 227 CO 0.02 0.03 -0.06 -0.94 -1.32 0.00 0.00 176.35 174.08 1fw2 s SER 228 N 0.49 0.94 -0.20 3.68 1.04 -0.50 -1.13 113.70 118.03 1fw2 s SER 228 Ca -0.08 -0.94 -0.15 0.00 0.48 0.00 0.00 55.95 55.26 1fw2 s SER 228 Cb -0.12 0.11 0.06 0.00 0.10 0.00 0.00 66.02 66.17 1fw2 s SER 228 CO 0.01 -0.46 0.50 -0.47 0.98 0.00 0.00 173.24 173.80 1fw2 s TYR 229 N -3.37 -0.64 0.14 5.02 5.04 -0.57 -1.41 117.35 121.57 1fw2 s TYR 229 Ca 0.07 1.44 -0.31 0.00 -2.44 0.00 0.00 57.07 55.83 1fw2 s TYR 229 Cb 0.04 0.27 -0.10 0.00 0.35 0.00 0.00 41.96 42.52 1fw2 s TYR 229 CO -0.05 -0.32 1.59 -1.25 -1.34 0.00 0.00 175.55 174.17 1fw2 s PRO 230 N 0.79 4.21 -0.02 4.97 0.04 -1.26 0.13 135.00 143.86 1fw2 s PRO 230 Ca -0.04 2.35 -0.06 0.00 0.04 0.00 0.00 61.00 63.29 1fw2 s PRO 230 Cb -0.05 -3.27 -0.29 0.00 0.04 0.00 0.00 34.50 30.93 1fw2 s PRO 230 CO -0.06 -0.64 0.77 0.82 0.04 0.00 0.00 177.00 177.93 1fw2 h ILE 231 N 4.22 1.05 -1.97 0.56 2.04 -1.43 -3.45 117.51 118.53 1fw2 h ILE 231 Ca -0.43 -2.67 0.00 0.00 1.00 0.00 0.00 64.86 62.76 1fw2 h ILE 231 Cb 1.20 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 40.03 1fw2 h ILE 231 CO 0.92 0.82 0.00 0.35 0.00 0.00 0.00 178.15 180.24 1fw2 n THR 232 N -3.49 0.00 0.22 -0.27 -2.24 -0.78 -5.01 114.28 102.71 1fw2 n THR 232 Ca -0.20 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.67 1fw2 n THR 232 Cb 1.06 0.00 0.52 0.00 -2.10 0.00 0.00 70.33 69.80 1fw2 n THR 232 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1fw2 h LYS 233 N 0.00 0.00 0.00 -0.78 2.10 -2.02 -3.34 116.57 112.53 1fw2 h LYS 233 Ca 0.00 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.50 1fw2 h LYS 233 Cb 0.00 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.30 1fw2 h LYS 233 CO 0.00 0.24 -1.56 0.72 -2.00 0.00 0.00 179.45 176.85 1fw2 n HIS 234 N -3.60 0.00 -3.78 0.07 8.25 -1.26 -5.04 115.22 109.86 1fw2 n HIS 234 Ca -0.01 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.17 1fw2 n HIS 234 Cb 0.37 -0.38 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 1fw2 n HIS 234 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1fw2 s VAL 235 N -2.20 5.25 0.01 1.59 1.01 -1.25 -4.53 120.40 120.28 1fw2 s VAL 235 Ca -0.12 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 1fw2 s VAL 235 Cb 0.03 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1fw2 s VAL 235 CO 0.24 -0.10 0.02 -0.13 0.00 0.00 0.00 175.10 175.13 1fw2 s ARG 236 N -3.15 0.28 -0.03 2.72 0.52 0.13 -1.11 118.95 118.31 1fw2 s ARG 236 Ca 0.37 -0.42 -0.28 0.00 -0.52 0.00 0.00 55.73 54.88 1fw2 s ARG 236 Cb -0.11 0.10 -0.03 0.00 0.52 0.00 0.00 34.95 35.43 1fw2 s ARG 236 CO 0.28 -0.05 0.91 -1.17 0.02 0.00 0.00 175.30 175.29 1fw2 s LEU 237 N -1.10 4.35 -0.03 2.53 2.96 0.12 -0.55 118.68 126.96 1fw2 s LEU 237 Ca -0.12 1.53 0.02 0.00 -0.22 0.00 0.00 54.13 55.34 1fw2 s LEU 237 Cb -0.07 -3.44 0.01 0.00 0.50 0.00 0.00 46.19 43.18 1fw2 s LEU 237 CO -0.00 -0.24 -0.06 -0.47 -1.32 0.00 0.00 176.35 174.25 1fw2 s TYR 238 N 1.04 0.77 -0.12 5.38 5.04 -0.07 -1.51 117.35 127.88 1fw2 s TYR 238 Ca 0.48 -0.19 0.03 0.00 -2.44 0.00 0.00 57.07 54.95 1fw2 s TYR 238 Cb -0.20 -0.60 0.00 0.00 0.35 0.00 0.00 41.96 41.52 1fw2 s TYR 238 CO 0.25 -0.12 -0.22 0.99 -1.34 0.00 0.00 175.55 175.11 1fw2 s THR 239 N 0.42 2.11 0.03 4.34 2.01 -0.29 -0.91 115.64 123.36 1fw2 s THR 239 Ca -0.06 -0.98 0.07 0.00 0.31 0.00 0.00 61.69 61.03 1fw2 s THR 239 Cb -0.10 -1.83 -0.02 0.00 0.01 0.00 0.00 72.50 70.56 1fw2 s THR 239 CO 0.00 0.55 -0.20 -1.58 -0.69 0.00 0.00 174.62 172.70 1fw2 s GLN 240 N 0.59 1.43 -0.42 4.92 0.74 -0.06 -1.48 119.66 125.38 1fw2 s GLN 240 Ca -0.12 -0.88 0.02 0.00 0.05 0.00 0.00 55.36 54.42 1fw2 s GLN 240 Cb -0.17 -1.50 0.14 0.00 1.10 0.00 0.00 33.01 32.58 1fw2 s GLN 240 CO 0.03 0.39 0.24 0.08 -0.55 0.00 0.00 175.29 175.48 1fw2 s VAL 241 N -0.73 1.05 0.25 1.34 1.01 0.01 -0.86 120.40 122.48 1fw2 s VAL 241 Ca 0.07 -2.36 -0.21 0.00 0.00 0.00 0.00 61.98 59.48 1fw2 s VAL 241 Cb -0.09 -1.74 -0.09 0.00 0.00 0.00 0.00 36.38 34.47 1fw2 s VAL 241 CO 0.01 -0.94 0.78 -0.47 0.00 0.00 0.00 175.10 174.48 1fw2 s TYR 242 N 0.50 3.66 -0.19 5.22 6.14 0.13 -1.70 117.35 131.11 1fw2 s TYR 242 Ca 0.18 1.48 -0.08 0.00 0.64 0.00 0.00 57.07 59.29 1fw2 s TYR 242 Cb -0.22 -2.69 0.07 0.00 0.42 0.00 0.00 41.96 39.54 1fw2 s TYR 242 CO -0.01 0.30 0.43 0.45 0.64 0.00 0.00 175.55 177.36 1fw2 s SER 243 N -1.65 -0.42 0.00 4.32 0.15 0.52 0.23 113.70 116.84 1fw2 s SER 243 Ca 0.45 0.96 0.00 0.00 0.70 0.00 0.00 55.95 58.06 1fw2 s SER 243 Cb -0.17 1.04 0.00 0.00 -1.71 0.00 0.00 66.02 65.18 1fw2 s SER 243 CO 0.22 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1fw2 n GLY 244 N 4.75 0.57 3.96 9.45 0.00 0.29 -1.09 105.19 123.11 1fw2 n GLY 244 Ca -0.17 -2.11 -0.23 0.00 0.00 0.00 0.00 46.02 43.52 1fw2 n GLY 244 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fw2 s TYR 245 N -0.86 3.47 -0.21 1.61 1.51 -0.18 -1.76 117.35 120.92 1fw2 s TYR 245 Ca 0.00 0.08 0.00 0.00 -1.01 0.00 0.00 57.07 56.14 1fw2 s TYR 245 Cb 0.00 -1.65 0.00 0.00 -0.11 0.00 0.00 41.96 40.20 1fw2 s TYR 245 CO 0.00 0.41 0.00 0.41 -1.11 0.00 0.00 175.55 175.26 1fw2 n GLY 246 N -1.23 0.53 0.14 0.71 0.00 -1.02 -3.40 105.19 100.91 1fw2 n GLY 246 Ca -0.08 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 1fw2 n GLY 246 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1fw2 h GLU 247 N 0.00 -0.09 -5.13 1.61 4.81 -1.82 -3.44 114.58 110.53 1fw2 h GLU 247 Ca -0.04 0.01 -0.34 0.00 -0.13 0.00 0.00 59.36 58.85 1fw2 h GLU 247 Cb 0.15 0.02 -0.15 0.00 0.63 0.00 0.00 28.75 29.40 1fw2 h GLU 247 CO 0.06 -0.06 -0.72 -1.54 -0.73 0.00 0.00 179.01 176.02 1fw2 s SER 248 N -5.13 1.86 0.16 1.04 1.04 -1.26 -5.05 113.70 106.37 1fw2 s SER 248 Ca -0.14 -0.99 -0.19 0.00 0.48 0.00 0.00 55.95 55.11 1fw2 s SER 248 Cb 0.10 -0.02 0.08 0.00 0.10 0.00 0.00 66.02 66.27 1fw2 s SER 248 CO 0.68 -0.30 1.65 -0.07 0.98 0.00 0.00 173.24 176.18 1fw2 h LEU 249 N 2.84 -0.54 -1.35 2.42 3.38 -1.97 0.62 115.31 120.72 1fw2 h LEU 249 Ca -0.37 0.13 0.07 0.00 0.09 0.00 0.00 57.88 57.81 1fw2 h LEU 249 Cb 1.19 0.30 -0.05 0.00 0.09 0.00 0.00 40.66 42.20 1fw2 h LEU 249 CO 0.62 -0.19 0.50 -0.29 0.09 0.00 0.00 178.44 179.17 1fw2 h ILE 250 N -0.09 1.01 -0.60 1.22 6.09 -1.93 0.23 117.51 123.43 1fw2 h ILE 250 Ca 0.18 -0.27 -0.10 0.00 -1.37 0.00 0.00 64.86 63.30 1fw2 h ILE 250 Cb 0.37 0.16 -0.06 0.00 0.47 0.00 0.00 36.82 37.76 1fw2 h ILE 250 CO -0.42 0.14 0.13 0.47 -3.07 0.00 0.00 178.15 175.40 1fw2 n ASP 251 N -4.49 4.93 0.03 2.19 8.00 -0.60 -4.52 116.55 122.10 1fw2 n ASP 251 Ca 0.12 -2.97 0.04 0.00 0.71 0.00 0.00 54.79 52.69 1fw2 n ASP 251 Cb 0.25 -0.70 0.44 0.00 -0.02 0.00 0.00 41.12 41.09 1fw2 n ASP 251 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 1fw2 h TYR 252 N 3.02 0.46 -0.54 1.24 -0.00 0.13 -0.84 116.97 120.43 1fw2 h TYR 252 Ca 0.12 0.01 -0.13 0.00 -0.00 0.00 0.00 58.73 58.72 1fw2 h TYR 252 Cb 2.02 -0.15 -0.08 0.00 -0.00 0.00 0.00 36.73 38.52 1fw2 h TYR 252 CO 1.08 0.31 0.13 0.27 -0.00 0.00 0.00 178.16 179.95 1fw2 n ASN 253 N -4.46 4.33 -4.09 0.10 2.04 -1.26 -2.44 115.26 109.47 1fw2 n ASN 253 Ca 0.02 -3.22 -0.28 0.00 -0.44 0.00 0.00 54.58 50.66 1fw2 n ASN 253 Cb 0.08 -0.67 -0.17 0.00 -2.53 0.00 0.00 39.78 36.49 1fw2 n ASN 253 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 1fw2 s PHE 254 N -2.97 1.97 0.17 -2.53 5.36 -0.34 -5.02 117.98 114.61 1fw2 s PHE 254 Ca 0.50 -0.85 -0.21 0.00 -0.96 0.00 0.00 56.93 55.41 1fw2 s PHE 254 Cb 0.41 -1.39 -0.08 0.00 -0.34 0.00 0.00 43.02 41.62 1fw2 s PHE 254 CO 0.10 -0.41 0.69 1.21 -1.46 0.00 0.00 175.22 175.35 1fw2 s ASN 255 N 0.75 7.14 -0.18 6.13 3.84 -1.26 -4.02 114.94 127.34 1fw2 s ASN 255 Ca -0.12 1.42 -0.31 0.00 0.21 0.00 0.00 52.86 54.07 1fw2 s ASN 255 Cb -0.16 -2.42 0.14 0.00 -0.55 0.00 0.00 41.25 38.26 1fw2 s ASN 255 CO 0.02 0.14 1.10 0.00 -2.79 0.00 0.00 177.10 175.58 1fw2 s GLN 256 N -1.55 0.45 -0.26 0.43 -2.07 -0.72 -4.83 119.66 111.12 1fw2 s GLN 256 Ca 0.37 0.02 -0.00 0.00 -1.82 0.00 0.00 55.36 53.93 1fw2 s GLN 256 Cb -0.19 0.21 0.04 0.00 -1.09 0.00 0.00 33.01 31.98 1fw2 s GLN 256 CO 0.22 -0.16 -0.08 0.99 -1.32 0.00 0.00 175.29 174.94 1fw2 s THR 257 N -1.55 2.61 -0.18 3.63 2.01 -1.26 -0.55 115.64 120.35 1fw2 s THR 257 Ca 0.03 -1.28 -0.01 0.00 0.31 0.00 0.00 61.69 60.75 1fw2 s THR 257 Cb -0.01 -2.40 -0.00 0.00 0.01 0.00 0.00 72.50 70.10 1fw2 s THR 257 CO -0.03 0.10 -0.13 -0.60 -0.69 0.00 0.00 174.62 173.27 1fw2 s ARG 258 N 1.24 3.24 -0.12 4.92 3.52 0.13 0.54 118.95 132.42 1fw2 s ARG 258 Ca -0.03 -0.72 -0.01 0.00 -0.13 0.00 0.00 55.73 54.83 1fw2 s ARG 258 Cb -0.18 -2.73 -0.03 0.00 -1.56 0.00 0.00 34.95 30.46 1fw2 s ARG 258 CO -0.05 -0.07 -0.06 0.54 -0.81 0.00 0.00 175.30 174.85 1fw2 s VAL 259 N 1.04 3.69 0.08 7.11 0.11 -0.89 0.20 120.40 131.73 1fw2 s VAL 259 Ca -0.01 -0.45 -0.09 0.00 -2.93 0.00 0.00 61.98 58.50 1fw2 s VAL 259 Cb -0.15 -2.56 -0.00 0.00 -1.53 0.00 0.00 36.38 32.14 1fw2 s VAL 259 CO -0.03 0.54 0.19 -0.83 -3.33 0.00 0.00 175.10 171.64 1fw2 s GLY 260 N -0.11 0.08 -0.01 6.54 0.00 -0.04 -1.42 107.32 112.36 1fw2 s GLY 260 Ca 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.18 1fw2 s GLY 260 CO 0.03 -0.74 0.01 0.14 0.00 0.00 0.00 173.10 172.54 1fw2 s VAL 261 N -3.57 0.01 0.00 1.40 1.01 -0.40 -0.89 120.40 117.97 1fw2 s VAL 261 Ca 0.03 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1fw2 s VAL 261 Cb 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 36.38 36.34 1fw2 s VAL 261 CO -0.09 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1fw2 n GLY 262 N 3.67 1.59 3.92 4.51 0.00 -0.09 -1.16 105.19 117.63 1fw2 n GLY 262 Ca -0.21 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.18 1fw2 n GLY 262 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fw2 s VAL 263 N -1.43 4.78 -0.11 1.61 -7.23 -0.36 -0.89 120.40 116.77 1fw2 s VAL 263 Ca 0.00 -1.14 -0.13 0.00 -1.81 0.00 0.00 61.98 58.90 1fw2 s VAL 263 Cb 0.00 -3.63 0.03 0.00 0.56 0.00 0.00 36.38 33.34 1fw2 s VAL 263 CO 0.00 -0.31 0.36 -0.32 -0.31 0.00 0.00 175.10 174.53 1fw2 s MET 264 N -3.96 0.49 0.00 4.82 1.75 0.29 -1.30 119.30 121.38 1fw2 s MET 264 Ca 0.35 0.38 0.00 0.00 -1.25 0.00 0.00 55.69 55.17 1fw2 s MET 264 Cb -0.09 0.23 0.00 0.00 2.84 0.00 0.00 34.83 37.82 1fw2 s MET 264 CO 0.28 -0.08 0.00 1.28 -0.65 0.00 0.00 175.02 175.85 1fw2 n LEU 265 N 2.55 0.29 -4.49 4.11 4.77 0.49 0.19 117.00 124.92 1fw2 n LEU 265 Ca -0.15 0.29 -0.32 0.00 -0.03 0.00 0.00 56.01 55.80 1fw2 n LEU 265 Cb 0.57 -0.43 -0.12 0.00 -2.33 0.00 0.00 43.42 41.11 1fw2 n LEU 265 CO 0.16 -0.43 -0.46 0.54 -1.33 0.00 0.00 177.39 175.87 1fw2 s ASN 266 N -3.00 4.01 0.34 -1.43 4.22 -1.25 -4.52 114.94 113.31 1fw2 s ASN 266 Ca 0.00 -0.31 0.05 0.00 -2.14 0.00 0.00 52.86 50.46 1fw2 s ASN 266 Cb 0.00 -0.76 0.06 0.00 1.28 0.00 0.00 41.25 41.82 1fw2 s ASN 266 CO 0.00 0.29 0.45 -0.67 -2.04 0.00 0.00 177.10 175.12 1fw2 n ASP 267 N 1.78 1.10 0.32 3.54 -0.08 -1.26 -3.07 116.55 118.89 1fw2 n ASP 267 Ca -0.16 -1.81 0.21 0.00 -1.51 0.00 0.00 54.79 51.52 1fw2 n ASP 267 Cb 0.52 -0.24 1.10 0.00 2.34 0.00 0.00 41.12 44.84 1fw2 n ASP 267 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 1fw2 h LEU 268 N 0.00 0.00 0.00 -2.67 -0.00 -1.98 -3.44 115.31 107.22 1fw2 h LEU 268 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 1fw2 h LEU 268 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.33 1fw2 h LEU 268 CO 0.21 0.00 0.00 2.22 -0.00 0.00 0.00 178.44 180.87