#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fw3 s TYR 7 N -4.00 3.56 0.22 0.00 2.02 -1.26 -3.54 117.35 114.34 3fw3 s TYR 7 Ca 0.21 1.13 -0.08 0.00 -0.37 0.00 0.00 57.07 57.96 3fw3 s TYR 7 Cb -0.00 -2.68 0.35 0.00 -0.40 0.00 0.00 41.96 39.23 3fw3 s TYR 7 CO 0.07 -0.68 1.73 0.93 -1.57 0.00 0.00 175.55 176.03 3fw3 h GLU 8 N -0.25 0.37 -0.17 -0.62 5.08 -1.89 -1.57 114.58 115.53 3fw3 h GLU 8 Ca -0.45 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 57.91 3fw3 h GLU 8 Cb 1.20 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3fw3 h GLU 8 CO 0.62 0.24 0.11 -0.24 -1.00 0.00 0.00 179.01 178.75 3fw3 h VAL 9 N 0.38 1.00 0.00 3.13 3.04 -1.91 -2.52 116.25 119.37 3fw3 h VAL 9 Ca 0.35 -0.05 -0.13 0.00 -1.01 0.00 0.00 66.70 65.86 3fw3 h VAL 9 Cb 0.50 0.83 -0.02 0.00 -2.01 0.00 0.00 31.29 30.59 3fw3 h VAL 9 CO -0.37 0.03 -0.63 1.56 -1.01 0.00 0.00 177.57 177.14 3fw3 h GLN 10 N 0.15 0.00 -0.52 4.17 4.20 -1.65 -3.27 115.11 118.20 3fw3 h GLN 10 Ca 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3fw3 h GLN 10 Cb 0.09 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3fw3 h GLN 10 CO -0.01 0.63 0.30 0.00 -0.67 0.00 0.00 178.83 179.08 3fw3 h ALA 11 N 1.37 0.66 0.00 3.87 0.00 -1.46 -2.37 119.26 121.33 3fw3 h ALA 11 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3fw3 h ALA 11 Cb 1.21 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3fw3 h ALA 11 CO 0.08 0.15 0.00 -0.85 0.00 0.00 0.00 179.25 178.64 3fw3 n GLU 11 N -4.67 0.00 0.00 0.00 0.00 -1.24 -4.99 120.64 109.75 3fw3 n GLU 11 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.18 3fw3 n GLU 11 Cb 0.06 -0.94 0.00 0.00 0.00 0.00 0.00 31.44 30.56 3fw3 n GLU 11 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 3fw3 n SER 11 N -0.14 0.00 -0.26 -1.84 3.41 -0.90 -5.20 113.62 108.70 3fw3 n SER 11 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 3fw3 n SER 11 Cb 0.00 0.00 0.38 0.00 -0.26 0.00 0.00 64.21 64.33 3fw3 n SER 11 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3fw3 n ASN 11 N 0.00 0.77 0.00 4.04 2.04 -1.26 -5.24 115.26 115.61 3fw3 n ASN 11 Ca 0.00 -1.66 0.00 0.00 -0.44 0.00 0.00 54.58 52.48 3fw3 n ASN 11 Cb 0.00 -0.06 0.00 0.00 -2.53 0.00 0.00 39.78 37.19 3fw3 n ASN 11 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3fw3 s LEU 11 N 0.00 4.19 0.64 0.00 1.02 -1.26 -4.84 118.68 118.43 3fw3 s LEU 11 Ca 0.00 0.26 -0.12 0.00 0.02 0.00 0.00 54.13 54.29 3fw3 s LEU 11 Cb 0.00 -2.93 -0.03 0.00 0.02 0.00 0.00 46.19 43.26 3fw3 s LEU 11 CO 0.00 -0.68 1.04 0.68 0.02 0.00 0.00 176.35 177.41 3fw3 s VAL 12 N 2.95 4.36 0.30 -1.59 -7.23 -1.26 -0.63 120.40 117.30 3fw3 s VAL 12 Ca 0.28 0.83 0.06 0.00 -1.81 0.00 0.00 61.98 61.35 3fw3 s VAL 12 Cb -0.14 -3.64 0.30 0.00 0.56 0.00 0.00 36.38 33.46 3fw3 s VAL 12 CO 0.16 -0.94 1.72 -0.65 -0.31 0.00 0.00 175.10 175.08 3fw3 h PRO 13 N -0.28 0.49 0.00 4.82 0.11 -1.89 -0.28 132.00 134.98 3fw3 h PRO 13 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3fw3 h PRO 13 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3fw3 h PRO 13 CO 0.60 0.33 0.00 -0.39 -0.21 0.00 0.00 178.00 178.32 3fw3 h VAL 14 N 0.51 0.00 -0.49 3.15 -1.51 -1.94 -2.48 116.25 113.49 3fw3 h VAL 14 Ca 0.59 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.75 3fw3 h VAL 14 Cb 1.10 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 3fw3 h VAL 14 CO -0.49 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 176.14 3fw3 n LYS 15 N -2.50 2.93 -1.98 5.19 4.76 -0.15 -5.03 118.16 121.39 3fw3 n LYS 15 Ca 0.02 -2.38 -0.40 0.00 -2.87 0.00 0.00 58.31 52.68 3fw3 n LYS 15 Cb 0.25 -1.47 -0.00 0.00 -1.84 0.00 0.00 35.03 31.97 3fw3 n LYS 15 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3fw3 s TRP 16 N -1.22 2.76 0.00 2.13 0.51 -0.94 -4.81 118.94 117.37 3fw3 s TRP 16 Ca 0.35 1.34 0.00 0.00 -2.12 0.00 0.00 56.10 55.67 3fw3 s TRP 16 Cb 0.20 -3.78 0.00 0.00 -0.81 0.00 0.00 33.47 29.07 3fw3 s TRP 16 CO 0.21 -2.36 0.00 0.41 -0.51 0.00 0.00 176.95 174.71 3fw3 n GLY 20 N 0.64 0.76 7.00 0.98 0.00 -1.26 -4.41 105.19 108.90 3fw3 n GLY 20 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3fw3 n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fw3 n GLY 21 N 5.00 3.16 0.61 -0.02 0.00 -1.26 -1.45 105.19 111.23 3fw3 n GLY 21 Ca 0.00 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 45.97 3fw3 n GLY 21 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fw3 n ASN 22 N 3.09 1.81 0.24 1.61 3.02 -0.97 -4.44 115.26 119.62 3fw3 n ASN 22 Ca 0.00 -1.82 0.15 0.00 -0.03 0.00 0.00 54.58 52.88 3fw3 n ASN 22 Cb 0.00 -0.16 0.51 0.00 -0.61 0.00 0.00 39.78 39.52 3fw3 n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fw3 n GLN 24 N -2.99 2.96 -0.10 0.00 1.13 -1.26 -4.97 117.38 112.16 3fw3 n GLN 24 Ca 0.02 -2.25 0.00 0.00 -1.94 0.00 0.00 57.00 52.83 3fw3 n GLN 24 Cb 0.37 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 29.04 3fw3 n GLN 24 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3fw3 n LYS 25 N 0.97 0.97 -0.00 -1.09 5.02 -0.60 -5.06 118.16 118.37 3fw3 n LYS 25 Ca 0.20 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.57 3fw3 n LYS 25 Cb 0.67 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.58 3fw3 n LYS 25 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3fw3 n ASP 26 N -1.27 1.00 -2.81 4.39 -0.08 -1.26 -4.57 116.55 111.95 3fw3 n ASP 26 Ca 0.00 -0.47 -0.23 0.00 -1.51 0.00 0.00 54.79 52.58 3fw3 n ASP 26 Cb 0.00 1.34 -0.02 0.00 2.34 0.00 0.00 41.12 44.78 3fw3 n ASP 26 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3fw3 n ARG 27 N -1.69 2.67 -3.51 -0.67 1.74 -1.26 -4.77 116.66 109.17 3fw3 n ARG 27 Ca 0.00 -4.32 -0.20 0.00 -0.77 0.00 0.00 57.85 52.56 3fw3 n ARG 27 Cb 0.33 -2.04 -0.01 0.00 -1.02 0.00 0.00 32.46 29.73 3fw3 n ARG 27 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3fw3 s GLN 28 N -3.28 3.18 0.13 5.56 -1.52 -1.26 -3.25 119.66 119.22 3fw3 s GLN 28 Ca 0.45 -0.90 0.06 0.00 -1.95 0.00 0.00 55.36 53.02 3fw3 s GLN 28 Cb 0.35 -2.81 -0.04 0.00 -0.22 0.00 0.00 33.01 30.29 3fw3 s GLN 28 CO -0.12 0.10 -0.15 -1.12 -0.25 0.00 0.00 175.29 173.75 3fw3 s SER 29 N -4.14 2.15 0.80 5.90 0.01 -1.26 -4.61 113.70 112.55 3fw3 s SER 29 Ca 0.43 -0.82 -0.09 0.00 1.31 0.00 0.00 55.95 56.79 3fw3 s SER 29 Cb -0.09 -0.09 0.13 0.00 0.21 0.00 0.00 66.02 66.18 3fw3 s SER 29 CO 0.31 -0.12 1.12 -2.16 0.41 0.00 0.00 173.24 172.81 3fw3 s PRO 30 N -2.68 1.50 0.16 12.44 0.04 -1.26 -4.51 135.00 140.68 3fw3 s PRO 30 Ca 0.10 -0.52 0.02 0.00 0.04 0.00 0.00 61.00 60.63 3fw3 s PRO 30 Cb -0.05 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 3fw3 s PRO 30 CO 0.04 -1.72 -0.01 0.96 0.04 0.00 0.00 177.00 176.30 3fw3 s ILE 31 N -3.46 0.67 -0.08 0.56 -4.36 -1.26 -0.34 121.20 112.93 3fw3 s ILE 31 Ca 0.67 -1.97 -0.22 0.00 -0.26 0.00 0.00 60.65 58.87 3fw3 s ILE 31 Cb -0.07 -2.02 -0.04 0.00 1.25 0.00 0.00 42.46 41.58 3fw3 s ILE 31 CO 0.48 -0.56 0.63 0.21 0.24 0.00 0.00 174.94 175.94 3fw3 s ASN 32 N -3.14 6.90 -0.34 4.36 2.47 -1.26 -2.88 114.94 121.05 3fw3 s ASN 32 Ca 0.21 1.08 -0.12 0.00 0.42 0.00 0.00 52.86 54.46 3fw3 s ASN 32 Cb 0.06 -2.37 -0.01 0.00 -1.45 0.00 0.00 41.25 37.48 3fw3 s ASN 32 CO 0.02 -0.08 0.21 -0.63 -3.72 0.00 0.00 177.10 172.91 3fw3 s ILE 33 N 0.73 5.01 -0.55 -5.21 1.01 -0.14 -4.95 121.20 117.10 3fw3 s ILE 33 Ca 0.34 -0.37 -0.25 0.00 0.00 0.00 0.00 60.65 60.37 3fw3 s ILE 33 Cb -0.17 -3.60 0.04 0.00 0.01 0.00 0.00 42.46 38.74 3fw3 s ILE 33 CO 0.16 -0.03 0.99 -0.69 0.00 0.00 0.00 174.94 175.36 3fw3 s VAL 34 N 1.67 4.33 0.27 2.92 1.01 -1.26 -0.30 120.40 129.03 3fw3 s VAL 34 Ca 0.05 0.40 -0.00 0.00 0.00 0.00 0.00 61.98 62.43 3fw3 s VAL 34 Cb -0.18 -4.57 0.09 0.00 0.00 0.00 0.00 36.38 31.72 3fw3 s VAL 34 CO 0.09 -1.15 1.73 0.71 0.00 0.00 0.00 175.10 176.48 3fw3 h THR 35 N 6.05 1.25 0.00 3.92 1.35 -1.95 -1.94 112.91 121.58 3fw3 h THR 35 Ca -0.26 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 3fw3 h THR 35 Cb 1.07 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 3fw3 h THR 35 CO 1.10 0.38 0.00 0.71 -0.25 0.00 0.00 175.52 177.46 3fw3 h THR 36 N 0.60 0.00 0.00 6.82 1.35 -2.03 -2.66 112.91 116.99 3fw3 h THR 36 Ca 0.10 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 3fw3 h THR 36 Cb 0.56 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 3fw3 h THR 36 CO 0.04 0.00 -0.51 0.29 -0.25 0.00 0.00 175.52 175.08 3fw3 n LYS 37 N -3.00 0.06 -2.87 4.72 5.02 -0.75 -4.83 118.16 116.51 3fw3 n LYS 37 Ca 0.01 0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 3fw3 n LYS 37 Cb 0.28 -1.54 -0.04 0.00 -0.02 0.00 0.00 35.03 33.72 3fw3 n LYS 37 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fw3 s ALA 38 N -3.04 3.46 0.10 7.82 0.00 -1.01 -4.80 121.76 124.31 3fw3 s ALA 38 Ca 0.10 0.12 -0.23 0.00 0.00 0.00 0.00 51.96 51.95 3fw3 s ALA 38 Cb 0.17 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.98 3fw3 s ALA 38 CO 0.70 -0.56 0.69 0.15 0.00 0.00 0.00 175.76 176.73 3fw3 s LYS 39 N 1.93 4.41 0.16 0.00 1.02 -1.14 -4.72 119.74 121.40 3fw3 s LYS 39 Ca 0.40 0.97 -0.31 0.00 0.02 0.00 0.00 55.97 57.05 3fw3 s LYS 39 Cb -0.17 -3.28 -0.10 0.00 -0.52 0.00 0.00 37.83 33.77 3fw3 s LYS 39 CO 0.14 0.54 1.53 0.08 -0.92 0.00 0.00 175.35 176.72 3fw3 s VAL 40 N -0.90 2.76 -0.19 3.17 1.01 -1.26 -1.06 120.40 123.93 3fw3 s VAL 40 Ca 0.33 0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.87 3fw3 s VAL 40 Cb -0.21 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.85 3fw3 s VAL 40 CO 0.23 0.04 -0.15 -0.62 0.00 0.00 0.00 175.10 174.60 3fw3 s ASP 41 N 1.10 3.25 0.36 3.32 -1.08 -0.30 -4.86 116.67 118.46 3fw3 s ASP 41 Ca 0.68 -0.76 0.27 0.00 -0.52 0.00 0.00 52.55 52.23 3fw3 s ASP 41 Cb -0.42 -1.36 1.14 0.00 -1.46 0.00 0.00 42.92 40.82 3fw3 s ASP 41 CO 0.32 -0.07 1.81 0.11 0.52 0.00 0.00 175.17 177.85 3fw3 h LYS 42 N 7.95 0.00 0.00 4.34 6.56 -1.95 -2.20 116.57 131.27 3fw3 h LYS 42 Ca -0.37 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.22 3fw3 h LYS 42 Cb 1.12 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.78 3fw3 h LYS 42 CO 0.55 0.00 0.00 1.63 -2.06 0.00 0.00 179.45 179.57 3fw3 n LYS 43 N -2.52 0.26 -2.88 3.15 5.02 -1.26 -4.47 118.16 115.46 3fw3 n LYS 43 Ca 0.01 0.06 -0.44 0.00 -2.02 0.00 0.00 58.31 55.93 3fw3 n LYS 43 Cb 0.24 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.75 3fw3 n LYS 43 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fw3 s LEU 44 N -2.68 4.83 0.00 -0.35 1.43 -0.83 -3.81 118.68 117.27 3fw3 s LEU 44 Ca 0.20 -2.78 -0.05 0.00 -1.03 0.00 0.00 54.13 50.47 3fw3 s LEU 44 Cb 0.16 -2.43 0.10 0.00 0.03 0.00 0.00 46.19 44.05 3fw3 s LEU 44 CO 0.39 -0.86 0.63 0.61 0.23 0.00 0.00 176.35 177.35 3fw3 n GLY 45 N 4.51 -0.47 3.72 -3.19 0.00 -1.26 -4.70 105.19 103.79 3fw3 n GLY 45 Ca 0.37 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 3fw3 n GLY 45 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3fw3 n ARG 46 N -2.28 1.66 -2.66 1.61 1.85 -1.26 -3.30 116.66 112.29 3fw3 n ARG 46 Ca 0.09 0.61 -0.36 0.00 -1.00 0.00 0.00 57.85 57.19 3fw3 n ARG 46 Cb 0.31 -2.48 -0.05 0.00 -1.05 0.00 0.00 32.46 29.19 3fw3 n ARG 46 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3fw3 s PHE 47 N -1.29 3.36 -0.10 2.89 0.40 -1.26 -1.27 117.98 120.71 3fw3 s PHE 47 Ca 0.69 1.67 0.03 0.00 -0.60 0.00 0.00 56.93 58.72 3fw3 s PHE 47 Cb -0.44 -3.02 0.01 0.00 0.51 0.00 0.00 43.02 40.08 3fw3 s PHE 47 CO 0.51 -0.33 -0.20 -0.06 0.70 0.00 0.00 175.22 175.84 3fw3 s PHE 48 N -1.78 2.30 -0.07 0.36 0.08 -0.06 -4.90 117.98 113.91 3fw3 s PHE 48 Ca 0.57 -1.01 -0.01 0.00 0.12 0.00 0.00 56.93 56.61 3fw3 s PHE 48 Cb -0.18 -1.58 -0.03 0.00 -0.57 0.00 0.00 43.02 40.66 3fw3 s PHE 48 CO 0.23 -0.45 -0.02 -0.06 -0.10 0.00 0.00 175.22 174.82 3fw3 s PHE 49 N 0.62 3.08 -0.07 0.36 0.08 -1.26 -1.48 117.98 119.30 3fw3 s PHE 49 Ca -0.13 0.13 0.02 0.00 0.12 0.00 0.00 56.93 57.06 3fw3 s PHE 49 Cb -0.17 -1.75 0.02 0.00 -0.57 0.00 0.00 43.02 40.55 3fw3 s PHE 49 CO 0.04 0.42 -0.10 0.45 -0.10 0.00 0.00 175.22 175.93 3fw3 s SER 50 N -0.91 1.66 0.00 1.36 0.15 -0.34 -4.73 113.70 110.89 3fw3 s SER 50 Ca 0.13 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.52 3fw3 s SER 50 Cb -0.11 -0.74 0.00 0.00 -1.71 0.00 0.00 66.02 63.45 3fw3 s SER 50 CO 0.03 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.06 3fw3 n GLY 50 N 4.05 0.67 0.18 9.45 0.00 -1.26 -0.73 105.19 117.55 3fw3 n GLY 50 Ca -0.22 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.88 3fw3 n GLY 50 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3fw3 h TYR 51 N 0.00 0.00 0.00 1.61 -1.99 -1.86 -3.25 116.97 111.47 3fw3 h TYR 51 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3fw3 h TYR 51 Cb 0.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.79 3fw3 h TYR 51 CO 0.04 0.27 -0.41 0.38 -0.00 0.00 0.00 178.16 178.44 3fw3 h ASP 52 N 0.00 0.00 -3.33 3.88 2.03 -1.93 0.96 116.42 118.03 3fw3 h ASP 52 Ca -0.00 -0.11 -0.53 0.00 -0.73 0.00 0.00 57.03 55.65 3fw3 h ASP 52 Cb 1.14 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.63 3fw3 h ASP 52 CO 0.04 0.06 0.46 -0.75 -1.03 0.00 0.00 179.24 178.02 3fw3 s LYS 53 N -3.17 4.51 0.09 4.15 2.20 -1.23 -4.87 119.74 121.43 3fw3 s LYS 53 Ca 0.07 1.61 -0.31 0.00 -0.36 0.00 0.00 55.97 56.98 3fw3 s LYS 53 Cb 0.12 -3.39 -0.07 0.00 -1.51 0.00 0.00 37.83 32.98 3fw3 s LYS 53 CO 0.68 -0.12 1.35 0.15 -0.36 0.00 0.00 175.35 177.06 3fw3 s LYS 54 N 0.86 4.34 0.14 4.03 -0.14 -1.26 -4.35 119.74 123.36 3fw3 s LYS 54 Ca 0.55 2.00 0.03 0.00 -1.36 0.00 0.00 55.97 57.19 3fw3 s LYS 54 Cb -0.26 -3.31 -0.04 0.00 -1.68 0.00 0.00 37.83 32.54 3fw3 s LYS 54 CO 0.29 -0.42 -0.07 -0.65 -0.76 0.00 0.00 175.35 173.74 3fw3 s GLN 55 N 1.24 1.03 -0.68 1.68 -1.52 -0.38 -4.85 119.66 116.18 3fw3 s GLN 55 Ca 0.63 -1.45 -0.14 0.00 -1.95 0.00 0.00 55.36 52.45 3fw3 s GLN 55 Cb -0.35 -0.48 0.17 0.00 -0.22 0.00 0.00 33.01 32.14 3fw3 s GLN 55 CO 0.30 0.01 0.63 0.95 -0.25 0.00 0.00 175.29 176.92 3fw3 s THR 56 N -3.45 5.33 0.29 -0.19 -4.23 -1.26 -1.36 115.64 110.77 3fw3 s THR 56 Ca 0.17 -2.03 -0.27 0.00 -1.18 0.00 0.00 61.69 58.38 3fw3 s THR 56 Cb 0.04 -4.36 -0.10 0.00 1.34 0.00 0.00 72.50 69.43 3fw3 s THR 56 CO 0.00 -0.95 0.95 0.26 -0.54 0.00 0.00 174.62 174.34 3fw3 s TRP 57 N 0.84 3.79 0.05 3.99 0.52 -1.26 -4.72 118.94 122.15 3fw3 s TRP 57 Ca 0.11 1.83 -0.30 0.00 0.02 0.00 0.00 56.10 57.76 3fw3 s TRP 57 Cb -0.20 -2.95 -0.05 0.00 -1.15 0.00 0.00 33.47 29.13 3fw3 s TRP 57 CO -0.03 0.28 1.04 0.99 0.02 0.00 0.00 176.95 179.25 3fw3 s THR 58 N -1.45 4.51 -0.03 2.01 2.01 -1.26 -0.83 115.64 120.60 3fw3 s THR 58 Ca 0.47 1.88 0.04 0.00 0.31 0.00 0.00 61.69 64.39 3fw3 s THR 58 Cb -0.21 -4.20 -0.01 0.00 0.01 0.00 0.00 72.50 68.09 3fw3 s THR 58 CO 0.27 0.19 -0.14 0.54 -0.69 0.00 0.00 174.62 174.78 3fw3 s VAL 59 N 0.73 1.18 0.04 3.82 0.11 -0.41 -1.12 120.40 124.74 3fw3 s VAL 59 Ca 0.52 -0.60 0.02 0.00 -2.93 0.00 0.00 61.98 58.99 3fw3 s VAL 59 Cb -0.24 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.58 3fw3 s VAL 59 CO 0.29 0.34 -0.06 0.00 -3.33 0.00 0.00 175.10 172.34 3fw3 s GLN 60 N -0.09 0.48 -0.30 1.54 -2.07 0.19 -1.64 119.66 117.78 3fw3 s GLN 60 Ca 0.00 -0.75 -0.20 0.00 -1.82 0.00 0.00 55.36 52.60 3fw3 s GLN 60 Cb -0.08 -0.17 -0.01 0.00 -1.09 0.00 0.00 33.01 31.65 3fw3 s GLN 60 CO 0.01 0.02 0.59 1.21 -1.32 0.00 0.00 175.29 175.80 3fw3 s ASN 61 N -1.63 6.46 -0.07 12.60 3.84 -0.58 -1.21 114.94 134.34 3fw3 s ASN 61 Ca -0.10 0.38 0.19 0.00 0.21 0.00 0.00 52.86 53.53 3fw3 s ASN 61 Cb -0.09 -2.31 0.65 0.00 -0.55 0.00 0.00 41.25 38.94 3fw3 s ASN 61 CO -0.00 -0.45 1.56 -0.46 -2.79 0.00 0.00 177.10 174.96 3fw3 n ASN 62 N 5.81 4.32 0.00 -4.21 0.23 -1.02 -0.87 115.26 119.52 3fw3 n ASN 62 Ca -0.02 -2.31 0.00 0.00 -0.53 0.00 0.00 54.58 51.72 3fw3 n ASN 62 Cb 0.49 -0.52 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 3fw3 n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fw3 n GLY 63 N 1.11 1.99 0.00 4.83 0.00 -1.26 -4.76 105.19 107.10 3fw3 n GLY 63 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3fw3 n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fw3 n HIS 64 N -2.00 0.00 -3.78 1.61 8.25 -1.26 -4.81 115.22 113.23 3fw3 n HIS 64 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 3fw3 n HIS 64 Cb 0.00 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.13 3fw3 n HIS 64 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3fw3 n SER 65 N -1.31 -1.72 -4.62 0.41 2.88 -1.26 -4.85 113.62 103.15 3fw3 n SER 65 Ca 0.00 -2.03 -0.34 0.00 -1.33 0.00 0.00 58.87 55.16 3fw3 n SER 65 Cb 0.14 2.83 -0.10 0.00 -0.75 0.00 0.00 64.21 66.33 3fw3 n SER 65 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3fw3 s VAL 66 N -2.16 4.09 -0.08 2.46 0.11 -1.26 -2.44 120.40 121.13 3fw3 s VAL 66 Ca 0.18 -0.32 -0.01 0.00 -2.93 0.00 0.00 61.98 58.90 3fw3 s VAL 66 Cb -0.03 -2.73 0.03 0.00 -1.53 0.00 0.00 36.38 32.12 3fw3 s VAL 66 CO 0.07 0.57 -0.03 -0.32 -3.33 0.00 0.00 175.10 172.07 3fw3 s MET 67 N -0.55 0.87 0.01 1.54 0.00 -0.35 -3.48 119.30 117.33 3fw3 s MET 67 Ca 0.09 -0.02 -0.25 0.00 0.00 0.00 0.00 55.69 55.51 3fw3 s MET 67 Cb -0.12 -1.09 -0.05 0.00 0.00 0.00 0.00 34.83 33.57 3fw3 s MET 67 CO 0.02 -0.25 0.78 -1.64 0.00 0.00 0.00 175.02 173.93 3fw3 s MET 68 N 1.70 4.49 -0.31 4.11 -1.94 0.51 -0.64 119.30 127.23 3fw3 s MET 68 Ca 0.02 1.07 -0.21 0.00 -1.71 0.00 0.00 55.69 54.85 3fw3 s MET 68 Cb -0.13 -3.40 -0.00 0.00 2.01 0.00 0.00 34.83 33.30 3fw3 s MET 68 CO -0.05 0.16 0.69 -0.51 -0.01 0.00 0.00 175.02 175.30 3fw3 s LEU 69 N 0.37 4.14 0.07 -0.03 1.43 -0.28 -1.48 118.68 122.90 3fw3 s LEU 69 Ca 0.40 0.46 0.23 0.00 -1.03 0.00 0.00 54.13 54.20 3fw3 s LEU 69 Cb -0.20 -2.90 -0.01 0.00 0.03 0.00 0.00 46.19 43.11 3fw3 s LEU 69 CO 0.22 -0.55 0.96 0.18 0.23 0.00 0.00 176.35 177.40 3fw3 n LEU 70 N 6.03 0.58 -3.80 1.79 4.77 -0.55 -4.43 117.00 121.39 3fw3 n LEU 70 Ca 0.01 0.06 -0.30 0.00 -0.03 0.00 0.00 56.01 55.75 3fw3 n LEU 70 Cb 0.49 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 3fw3 n LEU 70 CO 0.48 -0.01 0.03 -0.62 -1.33 0.00 0.00 177.39 175.94 3fw3 n GLU 71 N -2.15 -4.37 -1.62 3.23 1.02 -1.23 -1.05 120.64 114.46 3fw3 n GLU 71 Ca 0.01 0.53 -0.20 0.00 -0.02 0.00 0.00 57.16 57.47 3fw3 n GLU 71 Cb 0.48 -5.33 -0.08 0.00 -0.02 0.00 0.00 31.44 26.48 3fw3 n GLU 71 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fw3 n ASN 72 N -2.63 -5.41 -0.33 1.62 3.02 -0.76 -4.85 115.26 105.93 3fw3 n ASN 72 Ca 0.03 0.46 0.12 0.00 -0.03 0.00 0.00 54.58 55.16 3fw3 n ASN 72 Cb 0.52 -4.65 0.52 0.00 -0.61 0.00 0.00 39.78 35.57 3fw3 n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3fw3 n LYS 76 N -2.45 1.44 -3.85 3.52 5.02 -0.22 -4.78 118.16 116.84 3fw3 n LYS 76 Ca -0.20 -0.65 -0.09 0.00 -2.02 0.00 0.00 58.31 55.35 3fw3 n LYS 76 Cb 0.65 -1.40 -0.06 0.00 -0.02 0.00 0.00 35.03 34.21 3fw3 n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fw3 s ALA 77 N -1.91 -0.36 0.19 7.82 0.00 -1.26 -4.59 121.76 121.65 3fw3 s ALA 77 Ca 0.34 -0.58 -0.16 0.00 0.00 0.00 0.00 51.96 51.55 3fw3 s ALA 77 Cb 0.17 0.76 0.02 0.00 0.00 0.00 0.00 23.12 24.07 3fw3 s ALA 77 CO 0.28 -0.65 0.49 -1.54 0.00 0.00 0.00 175.76 174.34 3fw3 s SER 78 N -2.90 -0.22 0.11 0.00 1.04 0.09 -0.81 113.70 111.01 3fw3 s SER 78 Ca 0.11 -0.54 0.04 0.00 0.48 0.00 0.00 55.95 56.04 3fw3 s SER 78 Cb 0.03 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 3fw3 s SER 78 CO -0.04 -1.04 -0.11 0.27 0.98 0.00 0.00 173.24 173.30 3fw3 s ILE 79 N -3.89 1.05 0.34 -1.02 -4.36 -0.29 -1.20 121.20 111.83 3fw3 s ILE 79 Ca 0.10 -1.75 -0.04 0.00 -0.26 0.00 0.00 60.65 58.71 3fw3 s ILE 79 Cb -0.00 -1.50 0.00 0.00 1.25 0.00 0.00 42.46 42.21 3fw3 s ILE 79 CO -0.02 -0.58 0.49 -0.94 0.24 0.00 0.00 174.94 174.12 3fw3 s SER 80 N -2.61 0.82 0.38 4.36 1.04 -0.55 -1.20 113.70 115.94 3fw3 s SER 80 Ca 0.08 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 55.07 3fw3 s SER 80 Cb -0.02 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.77 3fw3 s SER 80 CO 0.00 -1.31 0.00 0.61 0.98 0.00 0.00 173.24 173.53 3fw3 n GLY 81 N -0.55 0.07 2.42 7.32 0.00 -1.26 -0.89 105.19 112.30 3fw3 n GLY 81 Ca 0.00 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 3fw3 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fw3 n GLY 82 N 0.00 -0.22 2.54 -0.02 0.00 -0.39 -1.49 105.19 105.61 3fw3 n GLY 82 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3fw3 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fw3 n GLY 83 N -0.94 0.51 3.84 -0.02 0.00 -1.25 -4.72 105.19 102.62 3fw3 n GLY 83 Ca -0.24 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 3fw3 n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fw3 s LEU 84 N -0.78 4.06 0.25 0.99 1.43 -0.55 -4.97 118.68 119.10 3fw3 s LEU 84 Ca 0.00 1.33 0.25 0.00 -1.03 0.00 0.00 54.13 54.68 3fw3 s LEU 84 Cb 0.00 -4.11 0.93 0.00 0.03 0.00 0.00 46.19 43.04 3fw3 s LEU 84 CO 0.00 -0.21 1.74 -0.81 0.23 0.00 0.00 176.35 177.30 3fw3 n PRO 85 N -0.35 0.23 -3.76 1.29 -0.04 -1.26 -4.67 135.00 126.44 3fw3 n PRO 85 Ca 0.04 0.36 -0.03 0.00 -0.04 0.00 0.00 63.50 63.82 3fw3 n PRO 85 Cb 0.53 -1.86 -0.01 0.00 -0.04 0.00 0.00 33.50 32.12 3fw3 n PRO 85 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fw3 s ALA 86 N -3.25 -1.67 0.59 0.55 0.00 -1.26 -5.13 121.76 111.59 3fw3 s ALA 86 Ca 0.06 0.12 -0.17 0.00 0.00 0.00 0.00 51.96 51.97 3fw3 s ALA 86 Cb 0.10 0.64 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 3fw3 s ALA 86 CO 0.47 -1.05 1.08 -2.14 0.00 0.00 0.00 175.76 174.12 3fw3 s PRO 87 N -3.21 3.25 -0.07 0.00 0.02 -1.26 -4.76 135.00 128.96 3fw3 s PRO 87 Ca 0.13 1.36 0.03 0.00 0.02 0.00 0.00 61.00 62.53 3fw3 s PRO 87 Cb -0.01 -2.01 0.01 0.00 0.02 0.00 0.00 34.50 32.50 3fw3 s PRO 87 CO 0.02 -0.89 -0.16 0.71 -0.33 0.00 0.00 177.00 176.35 3fw3 s TYR 88 N -2.22 1.79 0.06 6.54 1.51 -0.34 -1.69 117.35 123.00 3fw3 s TYR 88 Ca 0.67 -0.65 -0.26 0.00 -1.01 0.00 0.00 57.07 55.82 3fw3 s TYR 88 Cb -0.19 -1.24 -0.06 0.00 -0.11 0.00 0.00 41.96 40.36 3fw3 s TYR 88 CO 0.34 -0.28 0.81 -0.65 -1.11 0.00 0.00 175.55 174.66 3fw3 s GLN 89 N 0.43 4.55 0.06 -0.62 -0.21 0.19 -1.13 119.66 122.92 3fw3 s GLN 89 Ca -0.13 1.16 -0.30 0.00 0.02 0.00 0.00 55.36 56.11 3fw3 s GLN 89 Cb -0.15 -3.36 -0.05 0.00 1.00 0.00 0.00 33.01 30.44 3fw3 s GLN 89 CO 0.05 0.28 1.15 0.00 -2.12 0.00 0.00 175.29 174.64 3fw3 s ALA 90 N -0.08 3.34 -0.12 6.09 0.00 0.01 -0.86 121.76 130.14 3fw3 s ALA 90 Ca 0.40 0.78 -0.07 0.00 0.00 0.00 0.00 51.96 53.08 3fw3 s ALA 90 Cb -0.21 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 3fw3 s ALA 90 CO 0.25 -0.38 -0.17 1.63 0.00 0.00 0.00 175.76 177.09 3fw3 n LYS 91 N 3.81 0.28 -3.57 0.00 4.76 0.16 -1.82 118.16 121.77 3fw3 n LYS 91 Ca 0.08 0.12 -0.11 0.00 -2.87 0.00 0.00 58.31 55.53 3fw3 n LYS 91 Cb 0.47 -0.96 -0.03 0.00 -1.84 0.00 0.00 35.03 32.66 3fw3 n LYS 91 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 3fw3 s GLN 92 N -2.25 1.19 -0.05 1.97 -2.07 -1.11 -1.48 119.66 115.86 3fw3 s GLN 92 Ca -0.18 -0.64 0.02 0.00 -1.82 0.00 0.00 55.36 52.74 3fw3 s GLN 92 Cb 0.07 0.52 0.01 0.00 -1.09 0.00 0.00 33.01 32.52 3fw3 s GLN 92 CO 0.23 -0.49 -0.11 -1.17 -1.32 0.00 0.00 175.29 172.42 3fw3 s LEU 93 N -2.79 1.68 0.29 2.60 0.20 -0.55 -0.45 118.68 119.66 3fw3 s LEU 93 Ca 0.03 -0.25 -0.01 0.00 0.69 0.00 0.00 54.13 54.58 3fw3 s LEU 93 Cb 0.00 -0.72 -0.02 0.00 -0.43 0.00 0.00 46.19 45.03 3fw3 s LEU 93 CO -0.11 0.05 0.35 -1.38 -0.29 0.00 0.00 176.35 174.96 3fw3 s HIS 94 N 0.48 1.15 0.11 5.38 -3.43 -0.53 -0.36 115.29 118.09 3fw3 s HIS 94 Ca -0.10 -1.32 0.02 0.00 -0.80 0.00 0.00 55.06 52.87 3fw3 s HIS 94 Cb -0.13 -0.31 -0.04 0.00 -1.43 0.00 0.00 32.58 30.67 3fw3 s HIS 94 CO 0.02 -0.93 -0.07 -0.51 -2.00 0.00 0.00 174.74 171.25 3fw3 s LEU 95 N -3.22 2.49 0.00 5.38 1.02 -1.23 -0.70 118.68 122.43 3fw3 s LEU 95 Ca 0.34 -1.02 0.06 0.00 0.02 0.00 0.00 54.13 53.53 3fw3 s LEU 95 Cb 0.02 -0.13 -0.02 0.00 0.02 0.00 0.00 46.19 46.08 3fw3 s LEU 95 CO 0.18 -0.44 -0.19 -1.00 0.02 0.00 0.00 176.35 174.92 3fw3 s HIS 96 N -3.56 1.72 0.26 0.29 3.76 -0.05 -4.60 115.29 113.10 3fw3 s HIS 96 Ca 0.14 -0.34 -0.22 0.00 -0.15 0.00 0.00 55.06 54.49 3fw3 s HIS 96 Cb 0.05 -1.08 0.03 0.00 1.11 0.00 0.00 32.58 32.68 3fw3 s HIS 96 CO -0.03 -0.00 0.76 1.67 -0.85 0.00 0.00 174.74 176.29 3fw3 s TRP 97 N -0.54 -0.18 0.00 1.40 -2.14 -1.17 -0.89 118.94 115.41 3fw3 s TRP 97 Ca 0.07 -0.25 0.00 0.00 2.66 0.00 0.00 56.10 58.58 3fw3 s TRP 97 Cb -0.08 0.70 0.00 0.00 -3.10 0.00 0.00 33.47 30.99 3fw3 s TRP 97 CO -0.00 -1.17 0.00 0.45 -2.66 0.00 0.00 176.95 173.57 3fw3 n SER 98 N -0.46 0.75 -0.32 -2.66 2.88 -1.19 -0.46 113.62 112.16 3fw3 n SER 98 Ca -0.04 -0.25 0.03 0.00 -1.33 0.00 0.00 58.87 57.28 3fw3 n SER 98 Cb 0.59 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.14 3fw3 n SER 98 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3fw3 n ASP 99 N -0.55 2.51 -4.18 -3.46 5.68 -1.26 -4.80 116.55 110.49 3fw3 n ASP 99 Ca 0.00 -2.12 -0.22 0.00 -0.50 0.00 0.00 54.79 51.95 3fw3 n ASP 99 Cb 0.00 -0.15 -0.13 0.00 -1.14 0.00 0.00 41.12 39.69 3fw3 n ASP 99 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3fw3 s LEU 100 N -1.21 2.18 0.56 -2.12 1.43 -1.26 -5.05 118.68 113.21 3fw3 s LEU 100 Ca 0.14 -0.50 0.33 0.00 -1.03 0.00 0.00 54.13 53.08 3fw3 s LEU 100 Cb 0.09 -0.72 1.61 0.00 0.03 0.00 0.00 46.19 47.19 3fw3 s LEU 100 CO 0.07 0.07 2.09 1.55 0.23 0.00 0.00 176.35 180.36 3fw3 h PRO 101 N 4.84 0.00 0.00 1.29 0.13 -1.92 -3.11 132.00 133.23 3fw3 h PRO 101 Ca -0.40 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 3fw3 h PRO 101 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3fw3 h PRO 101 CO 0.43 0.06 -0.37 0.66 -0.23 0.00 0.00 178.00 178.55 3fw3 n TYR 102 N -3.31 0.00 -2.13 1.56 4.01 -1.26 -1.86 117.16 114.17 3fw3 n TYR 102 Ca -0.01 -1.30 0.01 0.00 -0.16 0.00 0.00 57.90 56.43 3fw3 n TYR 102 Cb 0.24 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 3fw3 n TYR 102 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 3fw3 n LYS 103 N -1.14 0.00 0.00 -0.72 2.85 -1.17 -4.63 118.16 113.34 3fw3 n LYS 103 Ca 0.17 -1.18 0.09 0.00 -1.05 0.00 0.00 58.31 56.35 3fw3 n LYS 103 Cb 0.69 -0.31 0.02 0.00 -0.65 0.00 0.00 35.03 34.79 3fw3 n LYS 103 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3fw3 n GLY 104 N 0.13 0.17 3.88 2.58 0.00 -0.04 -4.47 105.19 107.45 3fw3 n GLY 104 Ca 0.01 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 3fw3 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fw3 s SER 105 N -1.99 5.92 -0.18 1.61 1.04 -0.61 -3.06 113.70 116.42 3fw3 s SER 105 Ca 0.18 -0.04 -0.17 0.00 0.48 0.00 0.00 55.95 56.39 3fw3 s SER 105 Cb 0.16 -1.65 -0.14 0.00 0.10 0.00 0.00 66.02 64.49 3fw3 s SER 105 CO 0.40 -0.00 0.12 -0.33 0.98 0.00 0.00 173.24 174.41 3fw3 h GLU 106 N 1.74 0.00 -7.36 4.02 5.08 -1.90 -3.46 114.58 112.71 3fw3 h GLU 106 Ca -0.49 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.36 3fw3 h GLU 106 Cb 1.22 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.54 3fw3 h GLU 106 CO 0.63 0.66 0.41 -1.01 -1.00 0.00 0.00 179.01 178.70 3fw3 s HIS 107 N -2.29 3.52 0.10 4.33 3.76 -1.26 -4.55 115.29 118.91 3fw3 s HIS 107 Ca -0.23 1.32 0.04 0.00 -0.15 0.00 0.00 55.06 56.04 3fw3 s HIS 107 Cb 0.04 -2.75 -0.04 0.00 1.11 0.00 0.00 32.58 30.94 3fw3 s HIS 107 CO 0.46 -0.80 -0.11 -1.54 -0.85 0.00 0.00 174.74 171.90 3fw3 s SER 108 N -4.10 1.57 -0.25 1.40 1.04 -1.14 -4.69 113.70 107.54 3fw3 s SER 108 Ca 0.56 -0.82 -0.00 0.00 0.48 0.00 0.00 55.95 56.17 3fw3 s SER 108 Cb -0.12 -0.01 0.04 0.00 0.10 0.00 0.00 66.02 66.03 3fw3 s SER 108 CO 0.54 -0.24 -0.09 -0.76 0.98 0.00 0.00 173.24 173.68 3fw3 s LEU 109 N -2.47 3.17 -1.33 2.42 1.43 -0.79 -0.96 118.68 120.15 3fw3 s LEU 109 Ca 0.06 -1.00 -0.09 0.00 -1.03 0.00 0.00 54.13 52.07 3fw3 s LEU 109 Cb -0.03 -1.62 0.07 0.00 0.03 0.00 0.00 46.19 44.64 3fw3 s LEU 109 CO 0.01 -0.14 0.53 0.47 0.23 0.00 0.00 176.35 177.45 3fw3 n ASP 110 N 4.60 -3.97 0.00 2.29 8.00 0.59 -1.02 116.55 127.04 3fw3 n ASP 110 Ca -0.16 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 54.92 3fw3 n ASP 110 Cb 0.46 -3.27 0.00 0.00 -0.02 0.00 0.00 41.12 38.29 3fw3 n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fw3 n GLY 111 N -1.23 0.95 3.67 0.44 0.00 -1.26 -5.02 105.19 102.74 3fw3 n GLY 111 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 3fw3 n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fw3 s GLU 112 N -0.27 4.19 0.31 1.61 2.02 -0.18 -5.05 118.70 121.32 3fw3 s GLU 112 Ca 0.00 0.32 0.06 0.00 0.02 0.00 0.00 54.97 55.37 3fw3 s GLU 112 Cb 0.00 -3.55 -0.02 0.00 0.10 0.00 0.00 34.13 30.67 3fw3 s GLU 112 CO 0.00 -0.09 0.42 -1.01 0.02 0.00 0.00 175.26 174.60 3fw3 s HIS 113 N 1.46 3.18 0.42 1.61 3.76 -1.26 -1.88 115.29 122.58 3fw3 s HIS 113 Ca 0.22 -0.17 0.03 0.00 -0.15 0.00 0.00 55.06 54.99 3fw3 s HIS 113 Cb -0.15 -1.86 -0.04 0.00 1.11 0.00 0.00 32.58 31.64 3fw3 s HIS 113 CO 0.09 0.13 0.06 -0.06 -0.85 0.00 0.00 174.74 174.11 3fw3 s PHE 114 N -2.13 1.94 0.14 1.40 0.40 -1.26 -4.63 117.98 113.85 3fw3 s PHE 114 Ca 0.42 -1.04 0.04 0.00 -0.60 0.00 0.00 56.93 55.75 3fw3 s PHE 114 Cb -0.09 -1.39 -0.10 0.00 0.51 0.00 0.00 43.02 41.94 3fw3 s PHE 114 CO 0.30 0.02 1.32 0.00 0.70 0.00 0.00 175.22 177.56 3fw3 h ALA 115 N 1.74 0.43 -2.71 5.36 0.00 -0.24 0.20 119.26 124.03 3fw3 h ALA 115 Ca -0.40 -0.82 -0.12 0.00 0.00 0.00 0.00 54.91 53.58 3fw3 h ALA 115 Cb 1.27 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.84 3fw3 h ALA 115 CO 0.68 1.06 -0.31 -1.64 0.00 0.00 0.00 179.25 179.03 3fw3 s MET 116 N -2.94 1.33 -0.04 0.00 -1.94 -0.94 -3.15 119.30 111.63 3fw3 s MET 116 Ca -0.01 -1.32 -0.01 0.00 -1.71 0.00 0.00 55.69 52.63 3fw3 s MET 116 Cb 0.10 0.39 0.03 0.00 2.01 0.00 0.00 34.83 37.36 3fw3 s MET 116 CO 0.83 -0.51 0.06 -2.00 -0.01 0.00 0.00 175.02 173.39 3fw3 s GLU 117 N -4.04 -0.02 -0.12 2.03 2.12 -0.07 -1.46 118.70 117.14 3fw3 s GLU 117 Ca 0.25 0.28 -0.04 0.00 0.36 0.00 0.00 54.97 55.81 3fw3 s GLU 117 Cb 0.03 -0.28 -0.04 0.00 0.26 0.00 0.00 34.13 34.10 3fw3 s GLU 117 CO 0.07 -0.20 0.04 1.41 -0.54 0.00 0.00 175.26 176.04 3fw3 s MET 118 N 1.35 3.39 -0.20 4.30 -2.45 0.16 -0.87 119.30 124.97 3fw3 s MET 118 Ca -0.06 -0.34 0.01 0.00 -1.25 0.00 0.00 55.69 54.05 3fw3 s MET 118 Cb -0.13 -2.99 0.04 0.00 1.25 0.00 0.00 34.83 33.00 3fw3 s MET 118 CO -0.04 0.57 -0.14 -1.01 1.05 0.00 0.00 175.02 175.46 3fw3 s HIS 119 N -0.50 2.69 -0.34 4.11 3.76 0.12 -1.24 115.29 123.90 3fw3 s HIS 119 Ca 0.10 -1.74 -0.11 0.00 -0.15 0.00 0.00 55.06 53.16 3fw3 s HIS 119 Cb -0.12 -1.78 0.01 0.00 1.11 0.00 0.00 32.58 31.80 3fw3 s HIS 119 CO 0.02 -0.79 0.19 0.42 -0.85 0.00 0.00 174.74 173.73 3fw3 s ILE 120 N 1.31 4.67 -0.23 0.60 1.01 -0.06 -1.45 121.20 127.05 3fw3 s ILE 120 Ca -0.01 -0.60 -0.11 0.00 0.00 0.00 0.00 60.65 59.94 3fw3 s ILE 120 Cb -0.16 -3.48 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 3fw3 s ILE 120 CO -0.09 -0.08 0.17 -0.69 0.00 0.00 0.00 174.94 174.25 3fw3 s VAL 121 N 1.60 5.36 0.11 2.92 1.01 0.41 -0.98 120.40 130.82 3fw3 s VAL 121 Ca 0.04 0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.30 3fw3 s VAL 121 Cb -0.18 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3fw3 s VAL 121 CO 0.07 0.36 -0.14 -1.00 0.00 0.00 0.00 175.10 174.38 3fw3 s HIS 122 N 0.91 1.37 -0.02 5.22 3.76 -0.30 -0.67 115.29 125.56 3fw3 s HIS 122 Ca 0.09 -0.52 0.08 0.00 -0.15 0.00 0.00 55.06 54.55 3fw3 s HIS 122 Cb -0.13 -0.73 -0.02 0.00 1.11 0.00 0.00 32.58 32.81 3fw3 s HIS 122 CO 0.03 0.12 -0.26 -2.00 -0.85 0.00 0.00 174.74 171.79 3fw3 s GLU 123 N -2.37 2.16 0.21 1.40 2.12 -0.04 -1.13 118.70 121.05 3fw3 s GLU 123 Ca 0.06 -0.92 -0.31 0.00 0.36 0.00 0.00 54.97 54.15 3fw3 s GLU 123 Cb -0.07 -2.06 -0.11 0.00 0.26 0.00 0.00 34.13 32.16 3fw3 s GLU 123 CO 0.03 0.54 1.60 0.21 -0.54 0.00 0.00 175.26 177.10 3fw3 s LYS 124 N -0.57 4.18 -0.10 4.30 2.20 -0.23 -0.64 119.74 128.88 3fw3 s LYS 124 Ca 0.09 2.46 -0.23 0.00 -0.36 0.00 0.00 55.97 57.92 3fw3 s LYS 124 Cb -0.10 -3.10 -0.03 0.00 -1.51 0.00 0.00 37.83 33.08 3fw3 s LYS 124 CO -0.01 -0.63 0.71 -1.21 -0.36 0.00 0.00 175.35 173.86 3fw3 s GLU 125 N 0.68 4.38 0.00 4.03 2.02 -0.68 -4.88 118.70 124.24 3fw3 s GLU 125 Ca 0.69 0.86 0.00 0.00 0.02 0.00 0.00 54.97 56.54 3fw3 s GLU 125 Cb -0.46 -3.49 0.00 0.00 0.10 0.00 0.00 34.13 30.28 3fw3 s GLU 125 CO 0.36 -0.05 0.00 0.36 0.02 0.00 0.00 175.26 175.95 3fw3 n LYS 126 N 4.22 0.00 0.00 1.61 0.00 -1.26 -4.69 118.16 118.03 3fw3 n LYS 126 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3fw3 n LYS 126 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.54 3fw3 n LYS 126 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 3fw3 n PRO 137 N 0.00 0.00 0.09 -1.58 -0.04 -1.26 -5.25 135.00 126.96 3fw3 n PRO 137 Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 3fw3 n PRO 137 Cb 0.00 0.00 0.43 0.00 -0.04 0.00 0.00 33.50 33.89 3fw3 n PRO 137 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3fw3 n GLU 138 N -0.96 0.13 -1.42 0.54 0.28 -1.26 -3.21 120.64 114.73 3fw3 n GLU 138 Ca 0.00 0.38 0.01 0.00 -0.16 0.00 0.00 57.16 57.39 3fw3 n GLU 138 Cb 0.00 -1.75 0.09 0.00 1.43 0.00 0.00 31.44 31.21 3fw3 n GLU 138 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3fw3 n ASP 139 N -2.00 1.76 -0.14 -1.84 3.85 -1.24 -2.63 116.55 114.31 3fw3 n ASP 139 Ca 0.02 -2.86 0.03 0.00 -0.71 0.00 0.00 54.79 51.27 3fw3 n ASP 139 Cb 0.20 -0.41 0.33 0.00 -1.35 0.00 0.00 41.12 39.89 3fw3 n ASP 139 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 3fw3 h GLU 140 N 1.34 0.79 -5.70 0.11 4.81 -1.26 -3.42 114.58 111.24 3fw3 h GLU 140 Ca -0.07 -0.05 -0.68 0.00 -0.13 0.00 0.00 59.36 58.43 3fw3 h GLU 140 Cb 1.46 -0.18 -0.29 0.00 0.63 0.00 0.00 28.75 30.38 3fw3 h GLU 140 CO 0.15 0.52 -0.82 0.42 -0.73 0.00 0.00 179.01 178.55 3fw3 s ILE 141 N -5.70 2.59 -0.24 2.32 1.01 -0.35 -1.06 121.20 119.78 3fw3 s ILE 141 Ca -0.10 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.65 3fw3 s ILE 141 Cb 0.18 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 3fw3 s ILE 141 CO 0.76 0.56 -0.00 0.00 0.00 0.00 0.00 174.94 176.26 3fw3 s ALA 142 N 0.01 2.92 -0.20 9.38 0.00 -0.28 -0.06 121.76 133.53 3fw3 s ALA 142 Ca -0.06 -1.22 -0.08 0.00 0.00 0.00 0.00 51.96 50.60 3fw3 s ALA 142 Cb -0.15 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 3fw3 s ALA 142 CO 0.05 -0.54 0.07 0.08 0.00 0.00 0.00 175.76 175.42 3fw3 s VAL 143 N 1.50 4.73 -0.28 0.00 1.01 -1.01 -1.15 120.40 125.21 3fw3 s VAL 143 Ca 0.05 -0.05 -0.20 0.00 0.00 0.00 0.00 61.98 61.79 3fw3 s VAL 143 Cb -0.15 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 3fw3 s VAL 143 CO -0.01 0.43 0.59 -0.76 0.00 0.00 0.00 175.10 175.36 3fw3 s LEU 144 N 0.62 4.10 -0.18 3.92 1.43 -0.15 -1.98 118.68 126.44 3fw3 s LEU 144 Ca 0.03 0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 53.63 3fw3 s LEU 144 Cb -0.13 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.30 3fw3 s LEU 144 CO 0.01 -0.40 -0.07 0.00 0.23 0.00 0.00 176.35 176.13 3fw3 s ALA 145 N 2.49 2.77 -0.10 4.21 0.00 0.39 -0.88 121.76 130.64 3fw3 s ALA 145 Ca 0.24 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 51.21 3fw3 s ALA 145 Cb -0.15 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.45 3fw3 s ALA 145 CO 0.10 -0.11 -0.20 -0.06 0.00 0.00 0.00 175.76 175.49 3fw3 s PHE 146 N 0.93 2.62 0.06 0.00 0.40 -0.37 -1.87 117.98 119.75 3fw3 s PHE 146 Ca -0.01 -0.83 -0.16 0.00 -0.60 0.00 0.00 56.93 55.33 3fw3 s PHE 146 Cb -0.15 -1.73 -0.06 0.00 0.51 0.00 0.00 43.02 41.59 3fw3 s PHE 146 CO 0.00 -0.29 0.49 -0.51 0.70 0.00 0.00 175.22 175.61 3fw3 s LEU 147 N 0.20 4.46 -0.05 -0.37 1.43 -1.26 -0.67 118.68 122.42 3fw3 s LEU 147 Ca -0.12 1.07 0.06 0.00 -1.03 0.00 0.00 54.13 54.10 3fw3 s LEU 147 Cb -0.16 -2.84 -0.01 0.00 0.03 0.00 0.00 46.19 43.20 3fw3 s LEU 147 CO 0.07 0.26 -0.23 -0.69 0.23 0.00 0.00 176.35 175.98 3fw3 s VAL 148 N -1.19 1.91 0.19 -1.59 1.01 -0.54 -0.13 120.40 120.07 3fw3 s VAL 148 Ca 0.29 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.30 3fw3 s VAL 148 Cb -0.17 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 3fw3 s VAL 148 CO 0.17 0.54 0.00 -1.83 0.00 0.00 0.00 175.10 173.97 3fw3 s GLU 149 N -0.13 1.17 0.08 2.72 -1.05 -0.24 -0.86 118.70 120.38 3fw3 s GLU 149 Ca -0.03 -1.57 -0.31 0.00 -0.15 0.00 0.00 54.97 52.91 3fw3 s GLU 149 Cb -0.13 -0.35 -0.06 0.00 -0.44 0.00 0.00 34.13 33.15 3fw3 s GLU 149 CO 0.03 -0.12 1.25 0.00 0.95 0.00 0.00 175.26 177.36 3fw3 s ALA 150 N -3.60 3.44 0.00 -0.84 0.00 -1.26 -1.53 121.76 117.97 3fw3 s ALA 150 Ca 0.25 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.13 3fw3 s ALA 150 Cb 0.06 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3fw3 s ALA 150 CO 0.05 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.74 3fw3 n GLY 151 N 3.26 5.32 0.14 0.00 0.00 0.04 -4.85 105.19 109.11 3fw3 n GLY 151 Ca 0.09 -2.11 0.12 0.00 0.00 0.00 0.00 46.02 44.13 3fw3 n GLY 151 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3fw3 h THR 151 N 0.40 0.00 -3.94 2.61 1.35 -1.96 -3.41 112.91 107.96 3fw3 h THR 151 Ca 0.00 -0.74 -0.20 0.00 -0.55 0.00 0.00 66.41 64.92 3fw3 h THR 151 Cb 0.00 1.60 -0.16 0.00 -1.73 0.00 0.00 68.15 67.86 3fw3 h THR 151 CO 0.00 0.00 -0.70 -1.10 -0.25 0.00 0.00 175.52 173.47 3fw3 s GLN 152 N -3.19 0.73 0.18 4.72 -0.21 -1.26 -5.00 119.66 115.63 3fw3 s GLN 152 Ca 0.07 -1.22 -0.31 0.00 0.02 0.00 0.00 55.36 53.92 3fw3 s GLN 152 Cb 0.09 -0.10 -0.10 0.00 1.00 0.00 0.00 33.01 33.90 3fw3 s GLN 152 CO 0.67 -0.03 1.57 0.08 -2.12 0.00 0.00 175.29 175.46 3fw3 s VAL 153 N -3.37 2.56 -0.59 1.09 1.01 -1.26 -2.16 120.40 117.67 3fw3 s VAL 153 Ca 0.07 0.41 -0.23 0.00 0.00 0.00 0.00 61.98 62.23 3fw3 s VAL 153 Cb 0.04 -3.26 0.06 0.00 0.00 0.00 0.00 36.38 33.21 3fw3 s VAL 153 CO -0.05 0.04 0.91 0.21 0.00 0.00 0.00 175.10 176.20 3fw3 s ASN 154 N 1.04 6.25 0.36 3.32 3.84 -1.26 -4.89 114.94 123.60 3fw3 s ASN 154 Ca 0.69 -0.71 0.06 0.00 0.21 0.00 0.00 52.86 53.11 3fw3 s ASN 154 Cb -0.44 -2.41 0.69 0.00 -0.55 0.00 0.00 41.25 38.54 3fw3 s ASN 154 CO 0.33 -1.28 1.93 -0.33 -2.79 0.00 0.00 177.10 174.97 3fw3 h GLU 155 N 9.38 0.51 -0.40 0.43 4.39 -1.93 -2.25 114.58 124.71 3fw3 h GLU 155 Ca -0.27 -0.08 0.06 0.00 0.34 0.00 0.00 59.36 59.40 3fw3 h GLU 155 Cb 1.07 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.62 3fw3 h GLU 155 CO 1.11 0.48 0.27 0.78 -1.16 0.00 0.00 179.01 180.50 3fw3 h GLY 156 N 0.75 0.36 1.65 -3.84 0.00 -1.91 -1.77 103.07 98.31 3fw3 h GLY 156 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fw3 h GLY 156 CO -0.00 0.09 -0.06 0.69 0.00 0.00 0.00 176.54 177.26 3fw3 n PHE 157 N -4.47 0.00 -0.15 5.60 3.01 -0.85 -4.46 117.46 116.14 3fw3 n PHE 157 Ca 0.05 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.43 3fw3 n PHE 157 Cb 0.26 -0.37 0.00 0.00 -0.01 0.00 0.00 39.48 39.36 3fw3 n PHE 157 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 3fw3 h GLN 158 N 0.06 0.65 -0.91 -1.08 1.08 -1.32 -1.12 115.11 112.47 3fw3 h GLN 158 Ca 0.00 -0.09 0.12 0.00 -1.45 0.00 0.00 58.65 57.22 3fw3 h GLN 158 Cb 0.41 -0.12 -0.08 0.00 -0.05 0.00 0.00 27.48 27.64 3fw3 h GLN 158 CO 0.00 0.55 0.54 -1.35 -0.95 0.00 0.00 178.83 177.62 3fw3 h PRO 159 N 0.59 0.83 0.03 1.46 0.11 -1.78 0.87 132.00 134.11 3fw3 h PRO 159 Ca 0.16 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 3fw3 h PRO 159 Cb 0.11 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.03 3fw3 h PRO 159 CO -0.02 0.55 -0.01 1.25 -0.21 0.00 0.00 178.00 179.56 3fw3 h LEU 160 N 0.86 -0.03 -0.91 2.35 5.85 -1.70 -2.44 115.31 119.29 3fw3 h LEU 160 Ca 0.46 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.89 3fw3 h LEU 160 Cb 0.48 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 3fw3 h LEU 160 CO -0.28 0.29 0.60 0.58 -0.34 0.00 0.00 178.44 179.29 3fw3 h VAL 161 N -0.35 1.21 -0.05 1.05 2.07 -0.83 -2.06 116.25 117.29 3fw3 h VAL 161 Ca -0.00 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 3fw3 h VAL 161 Cb 0.33 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 3fw3 h VAL 161 CO 0.01 0.22 -0.19 -0.33 0.02 0.00 0.00 177.57 177.30 3fw3 h GLU 162 N 1.21 0.08 0.00 1.57 5.08 -0.82 -2.80 114.58 118.90 3fw3 h GLU 162 Ca 0.34 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.64 3fw3 h GLU 162 Cb -0.10 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3fw3 h GLU 162 CO -0.09 0.27 -0.22 0.00 -1.00 0.00 0.00 179.01 177.97 3fw3 h ALA 163 N 1.74 0.95 -0.85 3.43 0.00 -0.86 -3.36 119.26 120.30 3fw3 h ALA 163 Ca 0.01 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.76 3fw3 h ALA 163 Cb 0.38 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3fw3 h ALA 163 CO 0.03 0.28 0.56 -0.07 0.00 0.00 0.00 179.25 180.04 3fw3 h LEU 164 N 0.00 0.91 0.00 0.00 3.38 -1.34 -1.13 115.31 117.13 3fw3 h LEU 164 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3fw3 h LEU 164 Cb 0.88 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3fw3 h LEU 164 CO 0.03 0.62 0.00 -1.54 0.09 0.00 0.00 178.44 177.64 3fw3 n SER 165 N -4.45 0.00 -0.63 -0.43 3.41 -1.26 -1.72 113.62 108.55 3fw3 n SER 165 Ca 0.11 0.20 0.13 0.00 -0.26 0.00 0.00 58.87 59.05 3fw3 n SER 165 Cb 0.11 -0.35 0.26 0.00 -0.26 0.00 0.00 64.21 63.97 3fw3 n SER 165 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3fw3 n ASN 166 N -1.35 2.08 -2.70 4.04 3.02 -0.43 -4.41 115.26 115.51 3fw3 n ASN 166 Ca 0.06 -1.60 -0.14 0.00 -0.03 0.00 0.00 54.58 52.87 3fw3 n ASN 166 Cb 0.13 0.10 0.02 0.00 -0.61 0.00 0.00 39.78 39.41 3fw3 n ASN 166 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3fw3 n ILE 167 N 0.46 1.15 0.22 2.41 -5.35 -0.70 -4.68 119.36 112.87 3fw3 n ILE 167 Ca 0.15 -3.63 0.05 0.00 -0.27 0.00 0.00 62.75 59.05 3fw3 n ILE 167 Cb 0.46 0.17 0.48 0.00 -1.74 0.00 0.00 39.64 39.01 3fw3 n ILE 167 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 3fw3 h PRO 168 N 2.93 0.00 -6.23 6.28 0.13 -1.76 -3.42 132.00 129.93 3fw3 h PRO 168 Ca -0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 3fw3 h PRO 168 Cb 1.09 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.10 3fw3 h PRO 168 CO 0.57 0.24 -0.64 0.15 -0.23 0.00 0.00 178.00 178.09 3fw3 s LYS 169 N -4.41 2.73 0.30 0.86 1.02 -1.26 -1.77 119.74 117.21 3fw3 s LYS 169 Ca -0.03 -0.72 -0.27 0.00 0.02 0.00 0.00 55.97 54.97 3fw3 s LYS 169 Cb 0.15 -2.64 -0.14 0.00 -0.52 0.00 0.00 37.83 34.68 3fw3 s LYS 169 CO 0.69 0.58 0.97 -2.30 -0.92 0.00 0.00 175.35 174.36 3fw3 n PRO 170 N 0.81 1.26 0.00 -1.68 -0.02 -1.26 -2.19 135.00 131.93 3fw3 n PRO 170 Ca -0.11 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3fw3 n PRO 170 Cb 0.52 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 3fw3 n PRO 170 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3fw3 n GLU 171 N 0.67 0.00 -2.33 -0.52 1.02 -0.05 -4.88 120.64 114.56 3fw3 n GLU 171 Ca 0.10 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.88 3fw3 n GLU 171 Cb 0.33 -0.89 -0.01 0.00 -0.02 0.00 0.00 31.44 30.84 3fw3 n GLU 171 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3fw3 s MET 172 N -0.24 3.63 0.02 3.49 -1.94 -0.93 -4.85 119.30 118.48 3fw3 s MET 172 Ca 0.00 1.62 0.02 0.00 -1.71 0.00 0.00 55.69 55.62 3fw3 s MET 172 Cb 0.00 -2.20 -0.02 0.00 2.01 0.00 0.00 34.83 34.63 3fw3 s MET 172 CO 0.00 -0.62 -0.07 0.45 -0.01 0.00 0.00 175.02 174.76 3fw3 s SER 173 N -1.65 0.82 0.28 3.03 0.15 -1.26 -1.53 113.70 113.53 3fw3 s SER 173 Ca 0.68 -0.34 -0.05 0.00 0.70 0.00 0.00 55.95 56.94 3fw3 s SER 173 Cb -0.24 -0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.04 3fw3 s SER 173 CO 0.28 -0.07 0.38 0.28 1.20 0.00 0.00 173.24 175.32 3fw3 s THR 174 N -0.78 0.00 -0.19 6.45 -1.32 -0.65 -4.92 115.64 114.22 3fw3 s THR 174 Ca -0.04 -1.66 -0.04 0.00 -1.21 0.00 0.00 61.69 58.75 3fw3 s THR 174 Cb -0.06 -2.46 -0.02 0.00 -1.51 0.00 0.00 72.50 68.45 3fw3 s THR 174 CO 0.00 0.00 -0.04 -0.89 -2.21 0.00 0.00 174.62 171.48 3fw3 s THR 175 N -3.66 3.58 0.55 5.08 2.01 -1.26 -1.29 115.64 120.65 3fw3 s THR 175 Ca 0.31 -0.44 -0.18 0.00 0.31 0.00 0.00 61.69 61.68 3fw3 s THR 175 Cb 0.01 -2.60 -0.06 0.00 0.01 0.00 0.00 72.50 69.87 3fw3 s THR 175 CO 0.15 0.45 1.06 -0.04 -0.69 0.00 0.00 174.62 175.55 3fw3 s MET 176 N 1.03 3.49 0.84 4.92 -1.94 -0.01 -4.96 119.30 122.66 3fw3 s MET 176 Ca 0.01 1.35 -0.11 0.00 -1.71 0.00 0.00 55.69 55.23 3fw3 s MET 176 Cb -0.15 -2.05 0.10 0.00 2.01 0.00 0.00 34.83 34.75 3fw3 s MET 176 CO 0.01 -0.69 1.13 0.00 -0.01 0.00 0.00 175.02 175.46 3fw3 s ALA 177 N -2.14 1.81 0.02 3.03 0.00 -1.26 -4.08 121.76 119.13 3fw3 s ALA 177 Ca 0.67 0.51 -0.37 0.00 0.00 0.00 0.00 51.96 52.77 3fw3 s ALA 177 Cb -0.18 -3.39 -0.17 0.00 0.00 0.00 0.00 23.12 19.39 3fw3 s ALA 177 CO 0.29 -2.32 1.41 0.39 0.00 0.00 0.00 175.76 175.52 3fw3 n GLU 178 N -3.82 1.13 -3.47 0.00 -0.58 -1.26 -4.70 120.64 107.94 3fw3 n GLU 178 Ca 0.11 0.41 -0.11 0.00 -0.42 0.00 0.00 57.16 57.15 3fw3 n GLU 178 Cb 0.52 -2.06 -0.03 0.00 -0.57 0.00 0.00 31.44 29.31 3fw3 n GLU 178 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3fw3 s SER 179 N 1.06 -0.49 0.27 1.62 1.04 -0.47 -4.91 113.70 111.82 3fw3 s SER 179 Ca 0.87 0.10 0.10 0.00 0.48 0.00 0.00 55.95 57.50 3fw3 s SER 179 Cb -0.98 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 65.59 3fw3 s SER 179 CO 0.51 -0.76 -0.01 -0.94 0.98 0.00 0.00 173.24 173.01 3fw3 s SER 180 N -2.38 4.44 0.27 7.02 1.04 -1.26 -1.25 113.70 121.58 3fw3 s SER 180 Ca 0.01 -0.71 0.04 0.00 0.48 0.00 0.00 55.95 55.78 3fw3 s SER 180 Cb -0.01 -0.77 0.37 0.00 0.10 0.00 0.00 66.02 65.71 3fw3 s SER 180 CO -0.08 -0.02 1.66 -0.07 0.98 0.00 0.00 173.24 175.71 3fw3 h LEU 181 N 1.90 0.35 -1.30 2.42 3.38 -1.73 -3.04 115.31 117.29 3fw3 h LEU 181 Ca -0.44 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 57.49 3fw3 h LEU 181 Cb 1.25 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 3fw3 h LEU 181 CO 0.61 0.73 0.55 0.25 0.09 0.00 0.00 178.44 180.67 3fw3 h LEU 182 N 0.27 0.68 -2.26 1.67 5.85 -1.17 -0.78 115.31 119.57 3fw3 h LEU 182 Ca 0.02 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.81 3fw3 h LEU 182 Cb 0.86 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 3fw3 h LEU 182 CO 0.07 0.39 0.13 0.44 -0.34 0.00 0.00 178.44 179.12 3fw3 h ASP 183 N 0.75 0.00 1.08 1.25 3.32 -1.79 -2.23 116.42 118.80 3fw3 h ASP 183 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 3fw3 h ASP 183 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3fw3 h ASP 183 CO -0.17 0.00 -0.62 -0.07 -1.72 0.00 0.00 179.24 176.66 3fw3 h LEU 184 N 0.00 0.00-10.14 1.55 3.38 -1.26 -3.36 115.31 105.47 3fw3 h LEU 184 Ca 0.06 -0.11 -0.49 0.00 0.09 0.00 0.00 57.88 57.43 3fw3 h LEU 184 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3fw3 h LEU 184 CO -0.00 0.05 -0.42 -0.76 0.09 0.00 0.00 178.44 177.40 3fw3 s LEU 185 N -4.84 4.30 0.96 1.67 1.43 -0.84 -4.99 118.68 116.37 3fw3 s LEU 185 Ca 0.05 0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 53.17 3fw3 s LEU 185 Cb 0.11 -2.92 0.10 0.00 0.03 0.00 0.00 46.19 43.51 3fw3 s LEU 185 CO 0.73 -0.05 0.72 -2.65 0.23 0.00 0.00 176.35 175.33 3fw3 n PRO 186 N -1.14 -0.52 0.00 1.29 -0.02 -1.26 -5.02 135.00 128.33 3fw3 n PRO 186 Ca -0.08 -0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 3fw3 n PRO 186 Cb 0.56 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 3fw3 n PRO 186 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3fw3 n LYS 187 N -2.91 3.21 0.00 -0.52 0.00 -1.26 -4.87 118.16 111.81 3fw3 n LYS 187 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 3fw3 n LYS 187 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.56 3fw3 n LYS 187 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3fw3 n GLU 187 N 0.00 0.00 0.00 -1.58 -0.58 -1.26 -3.32 120.64 113.90 3fw3 n GLU 187 Ca 0.00 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.88 3fw3 n GLU 187 Cb 0.00 -0.11 0.63 0.00 -0.57 0.00 0.00 31.44 31.39 3fw3 n GLU 187 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3fw3 n LYS 188 N 0.00 1.05 -0.17 3.49 5.02 -1.26 -3.55 118.16 122.75 3fw3 n LYS 188 Ca 0.00 -0.43 0.09 0.00 -2.02 0.00 0.00 58.31 55.95 3fw3 n LYS 188 Cb 0.00 -1.49 0.25 0.00 -0.02 0.00 0.00 35.03 33.77 3fw3 n LYS 188 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3fw3 n LEU 189 N -0.60 2.23 0.15 -0.35 4.77 -1.21 -4.20 117.00 117.80 3fw3 n LEU 189 Ca 0.18 -1.05 0.03 0.00 -0.03 0.00 0.00 56.01 55.14 3fw3 n LEU 189 Cb 0.27 -0.23 0.17 0.00 -2.33 0.00 0.00 43.42 41.30 3fw3 n LEU 189 CO 0.21 0.52 0.54 0.03 -1.33 0.00 0.00 177.39 177.36 3fw3 h ARG 189 N 2.63 0.00 -4.73 3.23 -0.00 -1.91 -3.43 114.38 110.17 3fw3 h ARG 189 Ca 0.00 0.00 -0.68 0.00 -0.50 0.00 0.00 59.98 58.80 3fw3 h ARG 189 Cb 0.59 0.00 -0.21 0.00 0.00 0.00 0.00 29.97 30.36 3fw3 h ARG 189 CO 0.00 0.50 -0.51 -1.01 0.00 0.00 0.00 179.97 178.94 3fw3 s HIS 190 N -3.26 3.21 0.18 3.04 3.76 -1.26 -4.78 115.29 116.18 3fw3 s HIS 190 Ca 0.02 -0.39 -0.12 0.00 -0.15 0.00 0.00 55.06 54.42 3fw3 s HIS 190 Cb 0.10 -2.43 0.00 0.00 1.11 0.00 0.00 32.58 31.36 3fw3 s HIS 190 CO 0.72 -0.41 0.38 1.52 -0.85 0.00 0.00 174.74 176.10 3fw3 s TYR 191 N 1.67 0.23 0.04 1.40 -0.85 -1.26 -1.96 117.35 116.63 3fw3 s TYR 191 Ca 0.05 -0.59 0.02 0.00 -0.52 0.00 0.00 57.07 56.04 3fw3 s TYR 191 Cb -0.17 0.11 -0.04 0.00 0.38 0.00 0.00 41.96 42.23 3fw3 s TYR 191 CO 0.09 -0.81 0.04 -0.06 -1.52 0.00 0.00 175.55 173.29 3fw3 s PHE 192 N -3.94 3.12 -0.02 -3.49 0.08 0.04 -1.90 117.98 111.87 3fw3 s PHE 192 Ca 0.15 0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.28 3fw3 s PHE 192 Cb 0.02 -1.63 0.02 0.00 -0.57 0.00 0.00 43.02 40.86 3fw3 s PHE 192 CO -0.00 0.50 0.01 0.50 -0.10 0.00 0.00 175.22 176.12 3fw3 s ARG 193 N -2.01 0.20 0.26 0.44 6.06 0.76 -1.34 118.95 123.32 3fw3 s ARG 193 Ca 0.24 0.09 -0.15 0.00 -2.50 0.00 0.00 55.73 53.41 3fw3 s ARG 193 Cb -0.12 -0.39 0.00 0.00 0.06 0.00 0.00 34.95 34.51 3fw3 s ARG 193 CO 0.16 -0.13 0.56 1.52 -2.50 0.00 0.00 175.30 174.91 3fw3 s TYR 194 N 0.92 0.19 -0.20 5.12 1.13 -1.08 -1.08 117.35 122.35 3fw3 s TYR 194 Ca -0.09 -0.58 -0.08 0.00 -1.41 0.00 0.00 57.07 54.90 3fw3 s TYR 194 Cb -0.12 0.36 -0.04 0.00 -1.10 0.00 0.00 41.96 41.05 3fw3 s TYR 194 CO -0.02 -1.08 0.09 -0.51 -2.51 0.00 0.00 175.55 171.53 3fw3 s LEU 195 N -2.99 3.93 0.00 -3.49 1.43 -1.26 -0.81 118.68 115.49 3fw3 s LEU 195 Ca 0.19 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 3fw3 s LEU 195 Cb -0.02 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.18 3fw3 s LEU 195 CO 0.08 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.42 3fw3 n GLY 196 N 3.73 4.12 3.42 -3.19 0.00 -0.48 -4.87 105.19 107.92 3fw3 n GLY 196 Ca -0.16 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 3fw3 n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fw3 s SER 197 N 1.71 2.12 0.43 1.61 1.04 -1.20 -2.25 113.70 117.17 3fw3 s SER 197 Ca 0.00 -1.37 -0.25 0.00 0.48 0.00 0.00 55.95 54.81 3fw3 s SER 197 Cb 0.00 -0.03 -0.08 0.00 0.10 0.00 0.00 66.02 66.01 3fw3 s SER 197 CO 0.00 -0.62 1.31 -0.76 0.98 0.00 0.00 173.24 174.15 3fw3 s LEU 198 N -3.44 4.15 0.00 2.42 1.43 -0.75 -4.43 118.68 118.05 3fw3 s LEU 198 Ca 0.36 2.67 0.13 0.00 -1.03 0.00 0.00 54.13 56.27 3fw3 s LEU 198 Cb 0.08 -3.97 0.40 0.00 0.03 0.00 0.00 46.19 42.73 3fw3 s LEU 198 CO 0.15 -0.97 1.32 0.35 0.23 0.00 0.00 176.35 177.43 3fw3 n THR 199 N -0.08 0.48 -4.27 5.49 -2.24 -1.26 -4.41 114.28 108.00 3fw3 n THR 199 Ca 0.05 -0.51 -0.15 0.00 -2.27 0.00 0.00 64.05 61.17 3fw3 n THR 199 Cb 0.44 0.29 -0.10 0.00 -2.10 0.00 0.00 70.33 68.85 3fw3 n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3fw3 s THR 200 N -1.52 1.24 0.35 4.28 -4.23 -1.26 -4.68 115.64 109.83 3fw3 s THR 200 Ca 0.27 -2.08 -0.27 0.00 -1.18 0.00 0.00 61.69 58.43 3fw3 s THR 200 Cb 0.14 -1.90 -0.12 0.00 1.34 0.00 0.00 72.50 71.96 3fw3 s THR 200 CO 0.19 -0.70 1.09 -2.65 -0.54 0.00 0.00 174.62 172.01 3fw3 n PRO 201 N -0.23 1.58 -0.22 3.99 -0.02 -1.26 -0.26 135.00 138.57 3fw3 n PRO 201 Ca -0.10 0.56 0.05 0.00 -2.02 0.00 0.00 63.50 61.99 3fw3 n PRO 201 Cb 0.61 -2.06 0.15 0.00 -0.02 0.00 0.00 33.50 32.18 3fw3 n PRO 201 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3fw3 n THR 202 N -0.01 0.62 -2.65 3.45 -2.24 -1.26 -4.98 114.28 107.21 3fw3 n THR 202 Ca 0.08 -0.47 -0.19 0.00 -2.27 0.00 0.00 64.05 61.19 3fw3 n THR 202 Cb 0.36 0.06 0.01 0.00 -2.10 0.00 0.00 70.33 68.66 3fw3 n THR 202 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fw3 s ASP 204 N -2.45 6.38 -1.37 0.00 1.11 -1.26 -4.38 116.67 114.68 3fw3 s ASP 204 Ca 0.14 2.97 -0.11 0.00 0.18 0.00 0.00 52.55 55.73 3fw3 s ASP 204 Cb -0.06 -2.64 0.10 0.00 1.07 0.00 0.00 42.92 41.39 3fw3 s ASP 204 CO 0.17 -0.89 2.10 -0.62 1.18 0.00 0.00 175.17 177.11 3fw3 n GLU 205 N 1.65 3.36 -0.51 8.23 1.02 -1.26 -1.81 120.64 131.31 3fw3 n GLU 205 Ca 0.06 -3.08 0.00 0.00 -0.02 0.00 0.00 57.16 54.12 3fw3 n GLU 205 Cb 0.38 -3.06 0.00 0.00 -0.02 0.00 0.00 31.44 28.75 3fw3 n GLU 205 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3fw3 n LYS 206 N 4.66 0.00 -4.29 3.49 2.85 -1.10 -4.46 118.16 119.31 3fw3 n LYS 206 Ca 0.48 -0.96 -0.34 0.00 -1.05 0.00 0.00 58.31 56.44 3fw3 n LYS 206 Cb 0.36 -0.47 -0.13 0.00 -0.65 0.00 0.00 35.03 34.14 3fw3 n LYS 206 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3fw3 s VAL 207 N 0.00 3.64 -0.33 0.58 1.01 -0.95 -1.21 120.40 123.14 3fw3 s VAL 207 Ca 0.00 -0.43 -0.19 0.00 0.00 0.00 0.00 61.98 61.36 3fw3 s VAL 207 Cb 0.00 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 3fw3 s VAL 207 CO -0.00 0.47 0.58 0.54 0.00 0.00 0.00 175.10 176.68 3fw3 s VAL 208 N 0.74 4.97 0.09 2.92 0.11 0.91 -1.38 120.40 128.77 3fw3 s VAL 208 Ca -0.02 0.60 -0.15 0.00 -2.93 0.00 0.00 61.98 59.48 3fw3 s VAL 208 Cb -0.15 -3.99 -0.06 0.00 -1.53 0.00 0.00 36.38 30.65 3fw3 s VAL 208 CO 0.02 -0.19 0.51 0.26 -3.33 0.00 0.00 175.10 172.37 3fw3 s TRP 209 N 2.52 3.68 -0.08 1.54 0.52 0.01 -2.41 118.94 124.74 3fw3 s TRP 209 Ca 0.22 1.07 0.00 0.00 0.02 0.00 0.00 56.10 57.42 3fw3 s TRP 209 Cb -0.15 -2.36 0.02 0.00 -1.15 0.00 0.00 33.47 29.83 3fw3 s TRP 209 CO 0.13 0.53 -0.05 0.99 0.02 0.00 0.00 176.95 178.56 3fw3 s THR 210 N -1.28 0.74 -0.25 2.01 2.01 -0.84 -2.65 115.64 115.38 3fw3 s THR 210 Ca 0.32 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.16 3fw3 s THR 210 Cb -0.16 -0.78 0.04 0.00 0.01 0.00 0.00 72.50 71.61 3fw3 s THR 210 CO 0.18 0.30 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.63 3fw3 s VAL 211 N 1.40 2.51 0.28 3.82 1.01 -0.45 -0.47 120.40 128.50 3fw3 s VAL 211 Ca -0.02 -1.32 -0.29 0.00 0.00 0.00 0.00 61.98 60.34 3fw3 s VAL 211 Cb -0.13 -2.36 -0.10 0.00 0.00 0.00 0.00 36.38 33.79 3fw3 s VAL 211 CO -0.03 0.10 1.14 -0.36 0.00 0.00 0.00 175.10 175.95 3fw3 s PHE 212 N 1.22 3.47 0.18 5.22 0.40 -0.78 -0.78 117.98 126.92 3fw3 s PHE 212 Ca -0.04 1.63 -0.02 0.00 -0.60 0.00 0.00 56.93 57.90 3fw3 s PHE 212 Cb -0.18 -3.37 0.09 0.00 0.51 0.00 0.00 43.02 40.07 3fw3 s PHE 212 CO -0.05 -0.83 1.47 -0.09 0.70 0.00 0.00 175.22 176.41 3fw3 h ARG 213 N 3.86 0.46 -6.11 0.44 2.43 -1.72 -3.42 114.38 110.32 3fw3 h ARG 213 Ca -0.47 -0.34 -0.58 0.00 -0.81 0.00 0.00 59.98 57.79 3fw3 h ARG 213 Cb 1.21 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.77 3fw3 h ARG 213 CO 0.67 0.96 0.82 -1.21 -1.51 0.00 0.00 179.97 179.71 3fw3 s GLU 214 N -3.78 4.24 0.42 0.20 0.41 -1.26 -5.01 118.70 113.91 3fw3 s GLU 214 Ca -0.06 1.40 -0.24 0.00 -0.41 0.00 0.00 54.97 55.66 3fw3 s GLU 214 Cb 0.11 -3.67 -0.08 0.00 -1.78 0.00 0.00 34.13 28.70 3fw3 s GLU 214 CO 0.84 -0.67 1.12 -2.14 -0.49 0.00 0.00 175.26 173.93 3fw3 s PRO 215 N 3.29 3.99 0.33 0.39 0.02 -1.26 -4.64 135.00 137.13 3fw3 s PRO 215 Ca 0.46 1.70 -0.25 0.00 0.02 0.00 0.00 61.00 62.93 3fw3 s PRO 215 Cb -0.16 -2.54 -0.10 0.00 0.02 0.00 0.00 34.50 31.72 3fw3 s PRO 215 CO 0.08 -0.33 0.93 0.42 -0.33 0.00 0.00 177.00 177.77 3fw3 s ILE 216 N -1.54 4.26 -0.14 2.83 1.01 0.82 -4.95 121.20 123.47 3fw3 s ILE 216 Ca 0.59 1.75 -0.01 0.00 0.00 0.00 0.00 60.65 62.99 3fw3 s ILE 216 Cb -0.27 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 3fw3 s ILE 216 CO 0.33 0.09 -0.12 -1.10 0.00 0.00 0.00 174.94 174.14 3fw3 s GLN 217 N -2.19 3.38 0.22 2.79 -0.21 -1.26 -1.08 119.66 121.31 3fw3 s GLN 217 Ca 0.51 -0.68 0.10 0.00 0.02 0.00 0.00 55.36 55.31 3fw3 s GLN 217 Cb -0.17 -2.68 -0.04 0.00 1.00 0.00 0.00 33.01 31.11 3fw3 s GLN 217 CO 0.22 0.15 -0.13 -0.51 -2.12 0.00 0.00 175.29 172.91 3fw3 s LEU 218 N 0.52 2.83 0.53 2.90 1.02 -0.58 -4.57 118.68 121.32 3fw3 s LEU 218 Ca -0.08 -0.74 -0.21 0.00 0.02 0.00 0.00 54.13 53.12 3fw3 s LEU 218 Cb -0.16 -1.46 -0.05 0.00 0.02 0.00 0.00 46.19 44.54 3fw3 s LEU 218 CO 0.04 0.08 1.25 -2.28 0.02 0.00 0.00 176.35 175.45 3fw3 s HIS 219 N -1.96 2.52 0.27 0.29 5.65 -0.92 -0.78 115.29 120.37 3fw3 s HIS 219 Ca 0.26 1.47 -0.02 0.00 0.25 0.00 0.00 55.06 57.02 3fw3 s HIS 219 Cb -0.07 -3.56 0.59 0.00 -1.18 0.00 0.00 32.58 28.35 3fw3 s HIS 219 CO 0.15 -2.21 1.65 -0.09 -0.65 0.00 0.00 174.74 173.59 3fw3 h ARG 220 N 1.49 0.18 -0.27 2.88 2.43 -1.89 -1.04 114.38 118.16 3fw3 h ARG 220 Ca -0.50 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.62 3fw3 h ARG 220 Cb 1.28 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 3fw3 h ARG 220 CO 0.58 0.12 -0.01 1.05 -1.51 0.00 0.00 179.97 180.20 3fw3 h GLU 221 N 0.19 0.41 -0.43 0.20 -0.00 -1.98 -1.30 114.58 111.67 3fw3 h GLU 221 Ca 0.49 -0.08 -0.14 0.00 -0.00 0.00 0.00 59.36 59.63 3fw3 h GLU 221 Cb 0.92 -0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 29.60 3fw3 h GLU 221 CO -0.64 0.44 -0.27 1.96 -0.00 0.00 0.00 179.01 180.50 3fw3 h GLN 222 N 0.39 0.94 -0.17 1.06 4.20 -1.57 -1.76 115.11 118.20 3fw3 h GLN 222 Ca 0.09 -0.44 -0.03 0.00 0.06 0.00 0.00 58.65 58.33 3fw3 h GLN 222 Cb 0.27 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3fw3 h GLN 222 CO 0.01 1.10 -0.02 0.82 -0.67 0.00 0.00 178.83 180.07 3fw3 h ILE 223 N 0.77 1.27 -0.01 2.54 2.04 -1.07 -2.97 117.51 120.08 3fw3 h ILE 223 Ca 0.09 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3fw3 h ILE 223 Cb 0.86 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 3fw3 h ILE 223 CO 0.08 0.27 0.00 -0.07 0.00 0.00 0.00 178.15 178.43 3fw3 h LEU 224 N 0.04 0.00 -1.80 1.44 3.38 -1.21 -2.59 115.31 114.57 3fw3 h LEU 224 Ca 0.05 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.19 3fw3 h LEU 224 Cb 0.42 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 3fw3 h LEU 224 CO 0.01 0.00 0.50 0.00 0.09 0.00 0.00 178.44 179.04 3fw3 h ALA 225 N 2.00 2.40 -0.00 1.53 0.00 -1.14 -0.24 119.26 123.81 3fw3 h ALA 225 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fw3 h ALA 225 Cb 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3fw3 h ALA 225 CO -0.00 -0.61 -0.00 0.74 0.00 0.00 0.00 179.25 179.38 3fw3 h PHE 226 N 0.18 0.01 0.00 0.00 -1.00 -1.58 -1.14 116.94 113.41 3fw3 h PHE 226 Ca 0.35 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.12 3fw3 h PHE 226 Cb 1.11 -0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.66 3fw3 h PHE 226 CO -0.00 0.37 -0.05 0.66 -1.61 0.00 0.00 178.31 177.69 3fw3 h SER 227 N -0.36 0.00 1.21 2.17 4.64 -1.54 -2.74 113.55 116.93 3fw3 h SER 227 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 3fw3 h SER 227 Cb 0.37 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 3fw3 h SER 227 CO 0.00 0.05 -0.83 1.56 -0.87 0.00 0.00 176.83 176.74 3fw3 h GLN 227 N 0.00 0.00 0.00 4.77 4.20 -0.90 -3.39 115.11 119.79 3fw3 h GLN 227 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3fw3 h GLN 227 Cb 0.87 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.65 3fw3 h GLN 227 CO 0.01 0.46 -1.41 1.63 -0.67 0.00 0.00 178.83 178.84 3fw3 n LYS 228 N -3.12 0.61 -4.34 1.46 5.02 -0.45 -5.03 118.16 112.32 3fw3 n LYS 228 Ca -0.02 -0.09 -0.30 0.00 -2.02 0.00 0.00 58.31 55.88 3fw3 n LYS 228 Cb 0.78 -1.24 -0.10 0.00 -0.02 0.00 0.00 35.03 34.45 3fw3 n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fw3 s LEU 229 N -3.65 3.04 0.04 -0.35 1.43 -1.03 -4.37 118.68 113.79 3fw3 s LEU 229 Ca -0.03 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 52.79 3fw3 s LEU 229 Cb 0.07 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 3fw3 s LEU 229 CO 0.45 0.21 -0.12 -0.31 0.23 0.00 0.00 176.35 176.81 3fw3 s TYR 230 N -1.13 1.05 0.21 0.29 1.51 -0.73 -0.67 117.35 117.89 3fw3 s TYR 230 Ca 0.20 -0.37 0.16 0.00 -1.01 0.00 0.00 57.07 56.04 3fw3 s TYR 230 Cb -0.11 -0.62 0.56 0.00 -0.11 0.00 0.00 41.96 41.68 3fw3 s TYR 230 CO 0.11 0.01 1.69 1.88 -1.11 0.00 0.00 175.55 178.14 3fw3 h TYR 231 N 4.86 0.00 -4.10 2.71 0.05 -1.45 -3.38 116.97 115.67 3fw3 h TYR 231 Ca -0.37 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 57.86 3fw3 h TYR 231 Cb 1.19 0.00 -0.25 0.00 1.01 0.00 0.00 36.73 38.68 3fw3 h TYR 231 CO 0.56 0.46 -0.83 0.16 -1.05 0.00 0.00 178.16 177.46 3fw3 s ASP 232 N -6.59 2.33 0.60 3.88 -4.77 -1.26 -4.69 116.67 106.17 3fw3 s ASP 232 Ca -0.00 -0.54 0.40 0.00 -3.30 0.00 0.00 52.55 49.10 3fw3 s ASP 232 Cb 0.12 -0.17 2.06 0.00 -1.09 0.00 0.00 42.92 43.84 3fw3 s ASP 232 CO 0.71 0.12 2.20 0.11 0.70 0.00 0.00 175.17 179.01 3fw3 h LYS 233 N 4.73 0.00 0.00 2.11 1.57 -1.90 -0.61 116.57 122.47 3fw3 h LYS 233 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3fw3 h LYS 233 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3fw3 h LYS 233 CO 0.43 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.70 3fw3 n GLU 236 N -2.96 0.57 -3.93 3.15 4.71 -1.26 -4.93 120.64 116.00 3fw3 n GLU 236 Ca -0.02 0.01 -0.30 0.00 -0.01 0.00 0.00 57.16 56.84 3fw3 n GLU 236 Cb 0.11 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 29.06 3fw3 n GLU 236 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3fw3 n GLN 237 N -1.20 -5.10 -0.01 3.49 6.02 -0.24 -4.90 117.38 115.45 3fw3 n GLN 237 Ca 0.16 0.57 0.08 0.00 -0.01 0.00 0.00 57.00 57.79 3fw3 n GLN 237 Cb 0.19 -5.37 -0.11 0.00 1.02 0.00 0.00 30.24 25.97 3fw3 n GLN 237 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3fw3 n THR 238 N -4.59 0.00 -4.05 5.09 -2.24 -1.26 -4.89 114.28 102.33 3fw3 n THR 238 Ca -0.01 -0.30 -0.32 0.00 -2.27 0.00 0.00 64.05 61.15 3fw3 n THR 238 Cb 0.55 0.37 -0.15 0.00 -2.10 0.00 0.00 70.33 69.00 3fw3 n THR 238 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3fw3 s VAL 239 N -2.89 2.27 0.35 2.28 1.01 -1.26 -5.10 120.40 117.06 3fw3 s VAL 239 Ca -0.03 -1.57 -0.28 0.00 0.00 0.00 0.00 61.98 60.10 3fw3 s VAL 239 Cb 0.10 -2.32 -0.10 0.00 0.00 0.00 0.00 36.38 34.06 3fw3 s VAL 239 CO 0.63 -0.01 1.36 -0.44 0.00 0.00 0.00 175.10 176.64 3fw3 s SER 240 N 1.13 6.64 -0.40 3.32 0.01 -1.26 -1.28 113.70 121.86 3fw3 s SER 240 Ca -0.08 2.80 -0.29 0.00 1.31 0.00 0.00 55.95 59.69 3fw3 s SER 240 Cb -0.20 -2.66 0.02 0.00 0.21 0.00 0.00 66.02 63.40 3fw3 s SER 240 CO -0.05 -0.64 1.15 -0.32 0.41 0.00 0.00 173.24 173.79 3fw3 s MET 241 N -1.89 3.85 0.05 12.44 0.00 0.16 -4.63 119.30 129.29 3fw3 s MET 241 Ca 0.50 0.83 -0.28 0.00 0.00 0.00 0.00 55.69 56.74 3fw3 s MET 241 Cb -0.42 -3.85 0.09 0.00 0.00 0.00 0.00 34.83 30.65 3fw3 s MET 241 CO 0.56 -1.20 1.03 -1.59 0.00 0.00 0.00 175.02 173.82 3fw3 s LYS 242 N 4.18 0.87 -1.43 4.11 -2.85 -1.26 -4.06 119.74 119.29 3fw3 s LYS 242 Ca 0.49 -0.44 -0.09 0.00 -1.00 0.00 0.00 55.97 54.93 3fw3 s LYS 242 Cb -0.10 0.32 0.06 0.00 -2.06 0.00 0.00 37.83 36.05 3fw3 s LYS 242 CO 0.25 -0.39 0.68 -0.25 0.10 0.00 0.00 175.35 175.74 3fw3 n ASP 243 N -0.39 -4.78 -3.46 0.03 8.00 0.39 -4.88 116.55 111.47 3fw3 n ASP 243 Ca -0.07 -0.47 -0.40 0.00 0.71 0.00 0.00 54.79 54.57 3fw3 n ASP 243 Cb 0.61 -3.87 -0.02 0.00 -0.02 0.00 0.00 41.12 37.82 3fw3 n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3fw3 n ASN 244 N -2.52 7.50 -3.98 -2.24 6.94 -1.22 -4.68 115.26 115.05 3fw3 n ASN 244 Ca -0.03 -2.77 -0.28 0.00 -0.02 0.00 0.00 54.58 51.49 3fw3 n ASN 244 Cb 0.56 -1.53 -0.17 0.00 -2.36 0.00 0.00 39.78 36.28 3fw3 n ASN 244 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3fw3 s VAL 245 N 1.57 1.27 0.20 3.53 1.01 -1.26 -4.52 120.40 122.20 3fw3 s VAL 245 Ca 0.61 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 3fw3 s VAL 245 Cb 0.17 -1.21 -0.08 0.00 0.00 0.00 0.00 36.38 35.25 3fw3 s VAL 245 CO -0.07 0.40 1.08 -0.60 0.00 0.00 0.00 175.10 175.92 3fw3 s ARG 246 N 1.33 4.63 0.74 2.72 3.52 -1.26 -4.86 118.95 125.77 3fw3 s ARG 246 Ca -0.01 1.71 -0.15 0.00 -0.13 0.00 0.00 55.73 57.15 3fw3 s ARG 246 Cb -0.14 -3.26 0.04 0.00 -1.56 0.00 0.00 34.95 30.03 3fw3 s ARG 246 CO -0.05 0.14 1.16 -2.30 -0.81 0.00 0.00 175.30 173.44 3fw3 n PRO 247 N 2.08 0.51 -1.74 5.12 -0.02 -1.26 -4.75 135.00 134.94 3fw3 n PRO 247 Ca 0.02 0.24 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 3fw3 n PRO 247 Cb 0.46 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.53 3fw3 n PRO 247 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3fw3 n LEU 248 N -2.49 4.31 -4.79 2.45 4.77 -1.26 -4.47 117.00 115.52 3fw3 n LEU 248 Ca 0.14 1.20 -0.22 0.00 -0.03 0.00 0.00 56.01 57.09 3fw3 n LEU 248 Cb 0.49 -1.57 -0.05 0.00 -2.33 0.00 0.00 43.42 39.96 3fw3 n LEU 248 CO 0.48 -0.01 -0.20 -1.10 -1.33 0.00 0.00 177.39 175.23 3fw3 s GLN 249 N -1.48 2.80 0.08 3.23 -1.52 0.54 -4.99 119.66 118.31 3fw3 s GLN 249 Ca 0.58 -1.13 -0.27 0.00 -1.95 0.00 0.00 55.36 52.60 3fw3 s GLN 249 Cb -0.51 -2.48 -0.06 0.00 -0.22 0.00 0.00 33.01 29.74 3fw3 s GLN 249 CO 0.58 0.39 0.83 -0.65 -0.25 0.00 0.00 175.29 176.19 3fw3 s GLN 250 N -3.80 4.57 0.23 2.91 -1.52 -1.26 -4.49 119.66 116.30 3fw3 s GLN 250 Ca 0.33 1.20 -0.07 0.00 -1.95 0.00 0.00 55.36 54.86 3fw3 s GLN 250 Cb -0.08 -3.36 0.27 0.00 -0.22 0.00 0.00 33.01 29.63 3fw3 s GLN 250 CO 0.24 0.29 1.86 1.25 -0.25 0.00 0.00 175.29 178.68 3fw3 h LEU 251 N 5.49 0.83 0.00 2.90 5.85 -1.92 -3.42 115.31 125.03 3fw3 h LEU 251 Ca -0.44 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3fw3 h LEU 251 Cb 1.21 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3fw3 h LEU 251 CO 0.71 0.55 0.00 0.61 -0.34 0.00 0.00 178.44 179.97 3fw3 n GLY 252 N -1.32 2.19 0.18 3.75 0.00 -1.26 -3.04 105.19 105.69 3fw3 n GLY 252 Ca 0.10 -0.52 0.13 0.00 0.00 0.00 0.00 46.02 45.74 3fw3 n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fw3 n GLN 253 N 11.35 1.25 -1.43 1.61 6.02 -1.26 -4.85 117.38 130.08 3fw3 n GLN 253 Ca 0.00 -0.37 -0.32 0.00 -0.01 0.00 0.00 57.00 56.31 3fw3 n GLN 253 Cb 0.00 -1.42 0.08 0.00 1.02 0.00 0.00 30.24 29.92 3fw3 n GLN 253 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3fw3 s ARG 254 N -1.97 2.46 0.31 -1.09 0.52 -1.17 -5.08 118.95 112.94 3fw3 s ARG 254 Ca 0.38 1.22 0.10 0.00 -0.52 0.00 0.00 55.73 56.91 3fw3 s ARG 254 Cb 0.18 -1.92 -0.05 0.00 0.52 0.00 0.00 34.95 33.68 3fw3 s ARG 254 CO 0.30 -1.49 -0.09 0.95 0.02 0.00 0.00 175.30 175.00 3fw3 s THR 255 N -2.75 2.59 -0.08 0.02 -4.23 -1.26 -5.02 115.64 104.92 3fw3 s THR 255 Ca 0.63 -2.17 -0.01 0.00 -1.18 0.00 0.00 61.69 58.96 3fw3 s THR 255 Cb -0.18 -2.60 -0.03 0.00 1.34 0.00 0.00 72.50 71.03 3fw3 s THR 255 CO 0.52 -0.29 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.59 3fw3 s VAL 256 N -2.51 4.10 0.32 2.29 1.01 -1.26 -4.70 120.40 119.64 3fw3 s VAL 256 Ca 0.32 -0.33 0.10 0.00 0.00 0.00 0.00 61.98 62.08 3fw3 s VAL 256 Cb -0.02 -2.71 -0.06 0.00 0.00 0.00 0.00 36.38 33.60 3fw3 s VAL 256 CO 0.17 0.60 -0.13 0.27 0.00 0.00 0.00 175.10 176.02 3fw3 s ILE 257 N -0.85 2.40 0.05 2.22 -4.36 -0.24 -2.90 121.20 117.53 3fw3 s ILE 257 Ca 0.13 -2.26 -0.05 0.00 -0.26 0.00 0.00 60.65 58.21 3fw3 s ILE 257 Cb -0.11 -2.52 -0.02 0.00 1.25 0.00 0.00 42.46 41.06 3fw3 s ILE 257 CO 0.02 -0.29 0.07 -1.59 0.24 0.00 0.00 174.94 173.40 3fw3 s LYS 258 N -3.58 0.65 0.00 0.37 -2.85 -0.22 -0.17 119.74 113.94 3fw3 s LYS 258 Ca 0.32 -0.95 0.30 0.00 -1.00 0.00 0.00 55.97 54.64 3fw3 s LYS 258 Cb -0.01 0.25 1.48 0.00 -2.06 0.00 0.00 37.83 37.49 3fw3 s LYS 258 CO 0.16 -0.16 1.99 -1.13 0.10 0.00 0.00 175.35 176.31