#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fw5 s SER 5 N 0.00 -0.22 0.09 3.42 0.01 -1.26 -5.15 113.70 110.59 3fw5 s SER 5 Ca 0.00 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.34 3fw5 s SER 5 Cb 0.00 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.44 3fw5 s SER 5 CO 0.00 -0.31 0.00 0.47 0.41 0.00 0.00 173.24 173.81 3fw5 n ASP 6 N 0.12 -6.59 -4.04 2.44 9.92 -1.26 -5.10 116.55 112.04 3fw5 n ASP 6 Ca -0.04 1.00 -0.16 0.00 -0.53 0.00 0.00 54.79 55.06 3fw5 n ASP 6 Cb 0.59 -3.63 -0.13 0.00 -0.64 0.00 0.00 41.12 37.31 3fw5 n ASP 6 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3fw5 s LEU 7 N -0.35 2.13 0.16 0.64 1.43 -1.26 -5.11 118.68 116.33 3fw5 s LEU 7 Ca 0.00 -0.34 -0.31 0.00 -1.03 0.00 0.00 54.13 52.44 3fw5 s LEU 7 Cb 0.00 -0.33 -0.09 0.00 0.03 0.00 0.00 46.19 45.79 3fw5 s LEU 7 CO 0.00 -0.03 1.50 -0.63 0.23 0.00 0.00 176.35 177.42 3fw5 s ILE 8 N -0.74 2.81 0.53 -0.59 1.01 -1.26 -4.95 121.20 118.00 3fw5 s ILE 8 Ca -0.02 0.59 -0.21 0.00 0.00 0.00 0.00 60.65 61.01 3fw5 s ILE 8 Cb -0.06 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 3fw5 s ILE 8 CO 0.00 0.05 1.24 -2.16 0.00 0.00 0.00 174.94 174.07 3fw5 s PRO 9 N 0.94 3.33 0.37 2.79 0.04 -1.26 -4.86 135.00 136.34 3fw5 s PRO 9 Ca 0.67 1.93 -0.28 0.00 0.04 0.00 0.00 61.00 63.36 3fw5 s PRO 9 Cb -0.42 -2.21 -0.11 0.00 0.04 0.00 0.00 34.50 31.81 3fw5 s PRO 9 CO 0.32 -0.95 1.44 0.00 0.04 0.00 0.00 177.00 177.85 3fw5 s ALA 10 N -1.49 3.54 0.69 8.56 0.00 -1.26 -4.98 121.76 126.81 3fw5 s ALA 10 Ca 0.70 1.49 -0.11 0.00 0.00 0.00 0.00 51.96 54.05 3fw5 s ALA 10 Cb -0.33 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.22 3fw5 s ALA 10 CO 0.38 -0.97 1.06 -1.25 0.00 0.00 0.00 175.76 174.98 3fw5 s PRO 11 N -2.05 3.00 0.42 0.00 0.04 -1.26 -5.01 135.00 130.15 3fw5 s PRO 11 Ca 0.52 0.95 -0.25 0.00 0.04 0.00 0.00 61.00 62.26 3fw5 s PRO 11 Cb -0.45 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.01 3fw5 s PRO 11 CO 0.60 -1.05 1.29 -1.25 0.04 0.00 0.00 177.00 176.63 3fw5 s PRO 12 N -5.03 3.88 0.64 0.56 0.04 -1.26 -4.89 135.00 128.94 3fw5 s PRO 12 Ca 0.58 2.12 0.42 0.00 0.04 0.00 0.00 61.00 64.16 3fw5 s PRO 12 Cb -0.14 -2.68 2.16 0.00 0.04 0.00 0.00 34.50 33.88 3fw5 s PRO 12 CO 0.54 -0.55 2.28 -0.07 0.04 0.00 0.00 177.00 179.24 3fw5 h LEU 13 N 2.51 0.00 -2.44 -3.56 3.38 -1.94 -1.28 115.31 111.98 3fw5 h LEU 13 Ca -0.50 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.49 3fw5 h LEU 13 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 3fw5 h LEU 13 CO 0.62 0.00 0.05 0.77 0.09 0.00 0.00 178.44 179.97 3fw5 h SER 14 N 0.00 0.00 0.02 -0.43 4.64 -2.02 -0.92 113.55 114.83 3fw5 h SER 14 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fw5 h SER 14 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3fw5 h SER 14 CO 0.00 0.00 -0.03 0.29 -0.87 0.00 0.00 176.83 176.22 3fw5 n LYS 15 N -3.78 1.57 -3.81 4.77 5.02 -0.48 -4.74 118.16 116.71 3fw5 n LYS 15 Ca -0.02 -0.92 -0.35 0.00 -2.02 0.00 0.00 58.31 55.00 3fw5 n LYS 15 Cb 0.14 -1.48 -0.12 0.00 -0.02 0.00 0.00 35.03 33.55 3fw5 n LYS 15 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3fw5 s VAL 16 N -2.06 3.16 0.85 -0.18 1.01 -0.35 -4.94 120.40 117.89 3fw5 s VAL 16 Ca 0.36 -2.04 -0.12 0.00 0.00 0.00 0.00 61.98 60.18 3fw5 s VAL 16 Cb 0.21 -3.16 0.11 0.00 0.00 0.00 0.00 36.38 33.54 3fw5 s VAL 16 CO 0.36 -0.64 1.17 -2.84 0.00 0.00 0.00 175.10 173.15 3fw5 s PRO 17 N 1.12 1.38 -0.10 2.72 0.02 -1.26 -4.97 135.00 133.91 3fw5 s PRO 17 Ca 0.08 1.63 0.02 0.00 0.02 0.00 0.00 61.00 62.75 3fw5 s PRO 17 Cb -0.22 -1.76 -0.01 0.00 0.02 0.00 0.00 34.50 32.53 3fw5 s PRO 17 CO -0.04 -2.38 -0.18 -1.17 -0.33 0.00 0.00 177.00 172.90 3fw5 s LEU 18 N -6.13 2.46 0.03 -5.54 2.96 -1.26 -4.11 118.68 107.09 3fw5 s LEU 18 Ca 0.70 -0.40 -0.33 0.00 -0.22 0.00 0.00 54.13 53.87 3fw5 s LEU 18 Cb -0.25 -1.52 -0.12 0.00 0.50 0.00 0.00 46.19 44.80 3fw5 s LEU 18 CO 0.54 0.19 1.82 1.67 -1.32 0.00 0.00 176.35 179.25 3fw5 n GLN 19 N 3.33 2.40 -1.99 1.98 -0.06 -0.08 -4.92 117.38 118.04 3fw5 n GLN 19 Ca -0.18 0.88 -0.41 0.00 -2.00 0.00 0.00 57.00 55.28 3fw5 n GLN 19 Cb 0.53 -2.73 -0.02 0.00 -4.06 0.00 0.00 30.24 23.96 3fw5 n GLN 19 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 3fw5 s GLN 20 N 3.12 4.26 -1.23 3.69 0.74 -1.26 -3.74 119.66 125.24 3fw5 s GLN 20 Ca 0.87 2.34 -0.18 0.00 0.05 0.00 0.00 55.36 58.44 3fw5 s GLN 20 Cb -0.61 -3.07 0.00 0.00 1.10 0.00 0.00 33.01 30.44 3fw5 s GLN 20 CO 0.44 -0.38 0.67 -1.71 -0.55 0.00 0.00 175.29 173.76 3fw5 n ASN 21 N 1.50 -3.73 -4.74 6.67 5.15 -1.26 -4.83 115.26 114.02 3fw5 n ASN 21 Ca 0.04 -1.07 -0.42 0.00 -0.60 0.00 0.00 54.58 52.53 3fw5 n ASN 21 Cb 0.40 -2.97 -0.02 0.00 -0.53 0.00 0.00 39.78 36.66 3fw5 n ASN 21 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 3fw5 s PHE 22 N -3.62 2.86 -0.50 1.20 2.19 -1.25 -4.97 117.98 113.89 3fw5 s PHE 22 Ca 0.35 0.66 -0.08 0.00 0.33 0.00 0.00 56.93 58.19 3fw5 s PHE 22 Cb -0.14 -4.05 0.13 0.00 -1.31 0.00 0.00 43.02 37.65 3fw5 s PHE 22 CO 0.89 -3.70 0.37 -0.65 1.83 0.00 0.00 175.22 173.96 3fw5 s GLN 23 N 0.18 2.50 0.36 10.12 -1.52 -1.26 -4.81 119.66 125.23 3fw5 s GLN 23 Ca 0.67 -1.90 0.04 0.00 -1.95 0.00 0.00 55.36 52.22 3fw5 s GLN 23 Cb -0.47 -3.90 0.67 0.00 -0.22 0.00 0.00 33.01 29.09 3fw5 s GLN 23 CO 0.41 -1.19 1.96 0.38 -0.25 0.00 0.00 175.29 176.61 3fw5 h ASP 24 N 8.21 0.58 -0.53 5.90 2.03 -1.99 -2.11 116.42 128.51 3fw5 h ASP 24 Ca -0.16 -0.05 -0.09 0.00 -0.73 0.00 0.00 57.03 55.99 3fw5 h ASP 24 Cb 1.05 -0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 39.39 3fw5 h ASP 24 CO 0.82 0.50 -0.03 -0.55 -1.03 0.00 0.00 179.24 178.96 3fw5 h ASN 25 N 0.65 0.96 1.15 4.15 -1.07 -1.99 -3.14 115.58 116.30 3fw5 h ASN 25 Ca 0.16 -0.27 -0.11 0.00 0.07 0.00 0.00 56.30 56.15 3fw5 h ASN 25 Cb 0.09 -0.26 -0.02 0.00 -2.07 0.00 0.00 38.32 36.07 3fw5 h ASN 25 CO -0.02 1.03 -0.50 1.56 0.07 0.00 0.00 177.43 179.57 3fw5 h GLN 26 N 0.90 0.00 0.00 4.14 1.08 -1.88 -3.24 115.11 116.11 3fw5 h GLN 26 Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 3fw5 h GLN 26 Cb 0.56 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 3fw5 h GLN 26 CO 0.03 0.50 0.00 0.35 -0.95 0.00 0.00 178.83 178.77 3fw5 h PHE 27 N 0.00 0.00 -4.19 2.96 3.04 -1.35 -3.46 116.94 113.95 3fw5 h PHE 27 Ca -0.01 0.00 -0.48 0.00 3.98 0.00 0.00 57.97 61.47 3fw5 h PHE 27 Cb 1.22 0.00 0.13 0.00 2.56 0.00 0.00 35.95 39.86 3fw5 h PHE 27 CO 0.00 0.00 0.29 1.14 -2.02 0.00 0.00 178.31 177.72 3fw5 s GLN 28 N -3.12 1.48 0.00 1.11 -2.07 -1.20 -4.87 119.66 110.98 3fw5 s GLN 28 Ca 0.10 0.57 0.00 0.00 -1.82 0.00 0.00 55.36 54.21 3fw5 s GLN 28 Cb 0.11 -1.85 0.00 0.00 -1.09 0.00 0.00 33.01 30.18 3fw5 s GLN 28 CO 0.61 -2.03 0.00 0.41 -1.32 0.00 0.00 175.29 172.96 3fw5 n GLY 29 N -1.81 -0.67 3.78 2.60 0.00 -0.11 -4.94 105.19 104.05 3fw5 n GLY 29 Ca 0.07 -2.17 -0.37 0.00 0.00 0.00 0.00 46.02 43.54 3fw5 n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fw5 s LYS 30 N 0.00 4.08 -0.03 1.61 2.20 -1.26 -0.82 119.74 125.53 3fw5 s LYS 30 Ca 0.00 0.28 0.06 0.00 -0.36 0.00 0.00 55.97 55.95 3fw5 s LYS 30 Cb 0.00 -3.33 -0.01 0.00 -1.51 0.00 0.00 37.83 32.98 3fw5 s LYS 30 CO 0.00 0.44 -0.22 -1.58 -0.36 0.00 0.00 175.35 173.63 3fw5 s TRP 31 N -0.21 2.00 0.08 4.03 0.52 0.25 -4.72 118.94 120.89 3fw5 s TRP 31 Ca 0.21 -0.43 -0.13 0.00 0.02 0.00 0.00 56.10 55.77 3fw5 s TRP 31 Cb -0.15 -1.30 -0.06 0.00 -1.15 0.00 0.00 33.47 30.81 3fw5 s TRP 31 CO 0.09 -0.07 0.46 0.71 0.02 0.00 0.00 176.95 178.15 3fw5 s TYR 32 N -0.40 3.64 -0.92 -1.98 2.02 0.93 -0.59 117.35 120.05 3fw5 s TYR 32 Ca 0.05 0.95 -0.19 0.00 -0.37 0.00 0.00 57.07 57.52 3fw5 s TYR 32 Cb -0.10 -2.27 0.13 0.00 -0.40 0.00 0.00 41.96 39.32 3fw5 s TYR 32 CO 0.00 0.53 1.12 0.08 -1.57 0.00 0.00 175.55 175.71 3fw5 s VAL 33 N -1.33 4.72 -0.57 0.71 1.01 -0.58 -0.43 120.40 123.94 3fw5 s VAL 33 Ca 0.32 -1.56 0.24 0.00 0.00 0.00 0.00 61.98 60.99 3fw5 s VAL 33 Cb -0.15 -4.78 0.18 0.00 0.00 0.00 0.00 36.38 31.63 3fw5 s VAL 33 CO 0.17 -1.50 1.49 -0.37 0.00 0.00 0.00 175.10 174.89 3fw5 h VAL 34 N 5.84 0.00 -3.04 2.92 -1.51 -1.47 -3.41 116.25 115.58 3fw5 h VAL 34 Ca 0.15 -0.67 -0.14 0.00 -1.23 0.00 0.00 66.70 64.81 3fw5 h VAL 34 Cb 1.03 1.46 -0.23 0.00 -2.13 0.00 0.00 31.29 31.42 3fw5 h VAL 34 CO 1.11 0.00 -0.34 -0.83 -1.23 0.00 0.00 177.57 176.28 3fw5 s GLY 35 N -3.85 -0.19 -0.07 5.19 0.00 -1.01 -3.96 107.32 103.44 3fw5 s GLY 35 Ca 0.07 0.62 -0.03 0.00 0.00 0.00 0.00 44.72 45.38 3fw5 s GLY 35 CO 0.68 0.47 0.14 -2.27 0.00 0.00 0.00 173.10 172.12 3fw5 s LEU 36 N -0.43 0.43 0.02 0.66 0.20 0.37 0.01 118.68 119.94 3fw5 s LEU 36 Ca -0.05 0.29 0.00 0.00 0.69 0.00 0.00 54.13 55.05 3fw5 s LEU 36 Cb -0.04 0.28 -0.02 0.00 -0.43 0.00 0.00 46.19 45.99 3fw5 s LEU 36 CO 0.02 -0.19 -0.03 0.00 -0.29 0.00 0.00 176.35 175.86 3fw5 s ALA 37 N 1.61 0.13 0.00 5.97 0.00 -0.06 0.26 121.76 129.66 3fw5 s ALA 37 Ca -0.04 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.39 3fw5 s ALA 37 Cb -0.12 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.13 3fw5 s ALA 37 CO -0.06 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 175.98 3fw5 n GLY 38 N 1.77 0.95 0.07 0.00 0.00 -1.01 0.72 105.19 107.70 3fw5 n GLY 38 Ca -0.22 -0.96 0.12 0.00 0.00 0.00 0.00 46.02 44.96 3fw5 n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fw5 n ASN 39 N 0.00 0.46 -0.66 1.61 6.94 -0.92 -2.06 115.26 120.62 3fw5 n ASN 39 Ca 0.00 0.57 0.06 0.00 -0.02 0.00 0.00 54.58 55.18 3fw5 n ASN 39 Cb 0.00 -0.68 0.16 0.00 -2.36 0.00 0.00 39.78 36.90 3fw5 n ASN 39 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3fw5 n ALA 40 N -1.67 2.24 -2.78 -2.53 0.00 -1.26 -4.65 120.51 109.86 3fw5 n ALA 40 Ca 0.05 -1.23 -0.35 0.00 0.00 0.00 0.00 53.44 51.91 3fw5 n ALA 40 Cb 0.32 -0.46 -0.09 0.00 0.00 0.00 0.00 19.45 19.22 3fw5 n ALA 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fw5 s ILE 41 N -1.13 5.05 -0.00 0.00 -1.09 -0.88 -5.10 121.20 118.06 3fw5 s ILE 41 Ca 0.25 0.06 0.03 0.00 -2.23 0.00 0.00 60.65 58.76 3fw5 s ILE 41 Cb 0.14 -3.30 -0.01 0.00 -1.58 0.00 0.00 42.46 37.71 3fw5 s ILE 41 CO 0.15 0.43 -0.10 -0.76 -1.23 0.00 0.00 174.94 173.44 3fw5 s LEU 42 N 0.54 2.03 0.23 2.97 1.43 -1.26 -4.31 118.68 120.31 3fw5 s LEU 42 Ca 0.05 -0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 52.66 3fw5 s LEU 42 Cb -0.12 -0.48 -0.09 0.00 0.03 0.00 0.00 46.19 45.53 3fw5 s LEU 42 CO 0.00 0.10 1.37 -0.60 0.23 0.00 0.00 176.35 177.46 3fw5 s ARG 43 N -0.30 4.33 -0.37 1.70 3.52 -0.04 -5.00 118.95 122.79 3fw5 s ARG 43 Ca 0.03 2.18 0.00 0.00 -0.13 0.00 0.00 55.73 57.81 3fw5 s ARG 43 Cb -0.04 -3.15 0.12 0.00 -1.56 0.00 0.00 34.95 30.32 3fw5 s ARG 43 CO -0.00 -0.32 0.17 -2.00 -0.81 0.00 0.00 175.30 172.33 3fw5 s GLU 44 N -0.34 0.93 0.33 5.12 2.56 -1.26 -5.00 118.70 121.03 3fw5 s GLU 44 Ca 0.57 -1.48 0.01 0.00 0.00 0.00 0.00 54.97 54.08 3fw5 s GLU 44 Cb -0.39 -2.06 0.56 0.00 2.00 0.00 0.00 34.13 34.24 3fw5 s GLU 44 CO 0.41 -1.08 1.94 -0.44 -0.56 0.00 0.00 175.26 175.53 3fw5 h ASP 45 N 7.42 0.71 -0.06 -1.70 3.45 -1.99 -2.44 116.42 121.81 3fw5 h ASP 45 Ca -0.06 -0.07 -0.01 0.00 0.43 0.00 0.00 57.03 57.32 3fw5 h ASP 45 Cb 0.97 -0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 39.56 3fw5 h ASP 45 CO 0.45 0.60 0.00 0.11 -1.57 0.00 0.00 179.24 178.84 3fw5 h LYS 46 N 0.79 0.10 -2.85 3.56 1.79 -2.04 -3.37 116.57 114.55 3fw5 h LYS 46 Ca 0.20 -0.03 -0.61 0.00 -2.18 0.00 0.00 60.65 58.03 3fw5 h LYS 46 Cb 0.08 -0.01 -0.41 0.00 -1.58 0.00 0.00 32.23 30.31 3fw5 h LYS 46 CO -0.03 0.36 -0.72 0.16 -1.08 0.00 0.00 179.45 178.15 3fw5 s ASP 47 N -5.59 3.63 0.43 0.86 -4.77 -1.17 -5.12 116.67 104.94 3fw5 s ASP 47 Ca -0.15 -3.48 -0.25 0.00 -3.30 0.00 0.00 52.55 45.38 3fw5 s ASP 47 Cb 0.04 -1.20 -0.09 0.00 -1.09 0.00 0.00 42.92 40.58 3fw5 s ASP 47 CO 0.69 -0.13 1.23 -2.65 0.70 0.00 0.00 175.17 175.01 3fw5 n PRO 48 N 2.41 1.81 -1.68 2.11 -0.02 -0.93 -4.76 135.00 133.95 3fw5 n PRO 48 Ca 0.22 0.65 -0.46 0.00 -2.02 0.00 0.00 63.50 61.89 3fw5 n PRO 48 Cb 0.39 -2.34 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 3fw5 n PRO 48 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3fw5 n GLN 49 N -0.03 2.28 -3.23 -0.52 -0.06 -1.26 -4.90 117.38 109.67 3fw5 n GLN 49 Ca 0.07 0.83 -0.35 0.00 -2.00 0.00 0.00 57.00 55.55 3fw5 n GLN 49 Cb 0.40 -2.63 -0.06 0.00 -4.06 0.00 0.00 30.24 23.89 3fw5 n GLN 49 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 3fw5 s LYS 50 N 1.76 4.09 0.24 3.69 1.02 -1.26 -1.52 119.74 127.76 3fw5 s LYS 50 Ca 0.82 0.66 -0.30 0.00 0.02 0.00 0.00 55.97 57.16 3fw5 s LYS 50 Cb -0.64 -2.83 -0.10 0.00 -0.52 0.00 0.00 37.83 33.73 3fw5 s LYS 50 CO 0.40 0.39 1.48 1.41 -0.92 0.00 0.00 175.35 178.12 3fw5 s MET 51 N -2.14 4.24 0.43 1.68 -2.45 -0.45 -4.72 119.30 115.89 3fw5 s MET 51 Ca 0.43 2.34 0.05 0.00 -1.25 0.00 0.00 55.69 57.25 3fw5 s MET 51 Cb -0.15 -3.11 -0.05 0.00 1.25 0.00 0.00 34.83 32.77 3fw5 s MET 51 CO 0.20 -0.48 0.02 1.52 1.05 0.00 0.00 175.02 177.33 3fw5 s TYR 52 N 0.22 2.20 0.11 4.11 1.13 -1.26 -4.70 117.35 119.17 3fw5 s TYR 52 Ca 0.62 -0.83 0.05 0.00 -1.41 0.00 0.00 57.07 55.50 3fw5 s TYR 52 Cb -0.43 -1.63 -0.04 0.00 -1.10 0.00 0.00 41.96 38.76 3fw5 s TYR 52 CO 0.41 0.29 -0.14 0.00 -2.51 0.00 0.00 175.55 173.60 3fw5 s ALA 53 N -2.86 1.38 -0.06 9.51 0.00 -0.96 -1.52 121.76 127.25 3fw5 s ALA 53 Ca 0.25 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 51.00 3fw5 s ALA 53 Cb 0.07 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.14 3fw5 s ALA 53 CO 0.13 0.10 -0.05 0.99 0.00 0.00 0.00 175.76 176.92 3fw5 s THR 54 N -2.01 0.65 -0.21 0.00 2.01 0.24 -0.78 115.64 115.54 3fw5 s THR 54 Ca 0.06 -0.15 -0.05 0.00 0.31 0.00 0.00 61.69 61.86 3fw5 s THR 54 Cb -0.06 -0.67 -0.02 0.00 0.01 0.00 0.00 72.50 71.76 3fw5 s THR 54 CO 0.02 0.26 0.01 -0.63 -0.69 0.00 0.00 174.62 173.60 3fw5 s ILE 55 N 1.12 3.98 -0.29 1.82 1.01 0.16 -0.58 121.20 128.41 3fw5 s ILE 55 Ca -0.08 -0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.17 3fw5 s ILE 55 Cb -0.14 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 3fw5 s ILE 55 CO -0.01 0.41 0.17 -0.31 0.00 0.00 0.00 174.94 175.20 3fw5 s TYR 56 N 1.17 3.19 -0.25 3.97 2.02 0.00 -1.26 117.35 126.20 3fw5 s TYR 56 Ca 0.03 -0.17 -0.01 0.00 -0.37 0.00 0.00 57.07 56.54 3fw5 s TYR 56 Cb -0.14 -2.37 0.03 0.00 -0.40 0.00 0.00 41.96 39.07 3fw5 s TYR 56 CO 0.02 -0.29 -0.06 -1.21 -1.57 0.00 0.00 175.55 172.43 3fw5 s GLU 57 N 1.70 2.81 -0.16 -0.62 2.02 -0.34 -0.93 118.70 123.18 3fw5 s GLU 57 Ca 0.06 -0.99 -0.29 0.00 0.02 0.00 0.00 54.97 53.77 3fw5 s GLU 57 Cb -0.16 -2.98 -0.01 0.00 0.10 0.00 0.00 34.13 31.07 3fw5 s GLU 57 CO 0.09 -0.41 1.21 -1.17 0.02 0.00 0.00 175.26 175.00 3fw5 s LEU 58 N 1.32 4.18 0.68 1.80 0.20 -1.26 -1.00 118.68 124.60 3fw5 s LEU 58 Ca -0.00 1.65 -0.09 0.00 0.69 0.00 0.00 54.13 56.38 3fw5 s LEU 58 Cb -0.17 -3.54 0.03 0.00 -0.43 0.00 0.00 46.19 42.08 3fw5 s LEU 58 CO -0.04 -0.71 1.03 -0.54 -0.29 0.00 0.00 176.35 175.79 3fw5 s LYS 59 N 3.22 2.65 0.33 1.98 1.02 0.50 -4.97 119.74 124.48 3fw5 s LYS 59 Ca 0.53 0.15 0.06 0.00 0.02 0.00 0.00 55.97 56.73 3fw5 s LYS 59 Cb -0.21 -2.12 0.60 0.00 -0.52 0.00 0.00 37.83 35.58 3fw5 s LYS 59 CO 0.14 -1.04 1.82 1.05 -0.92 0.00 0.00 175.35 176.41 3fw5 h GLU 60 N -0.55 0.34 0.00 1.68 4.11 -1.96 -1.26 114.58 116.95 3fw5 h GLU 60 Ca -0.45 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 58.87 3fw5 h GLU 60 Cb 1.27 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3fw5 h GLU 60 CO 0.63 0.53 0.00 -0.40 0.07 0.00 0.00 179.01 179.84 3fw5 n ASP 61 N -4.19 0.00 0.00 3.06 5.75 -1.26 -4.89 116.55 115.02 3fw5 n ASP 61 Ca -0.00 -1.37 0.00 0.00 -0.01 0.00 0.00 54.79 53.41 3fw5 n ASP 61 Cb 0.34 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 3fw5 n ASP 61 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3fw5 n LYS 62 N -0.72 -0.25 -2.17 0.11 4.76 -0.47 -4.99 118.16 114.43 3fw5 n LYS 62 Ca 0.09 0.06 -0.28 0.00 -2.87 0.00 0.00 58.31 55.32 3fw5 n LYS 62 Cb 0.04 -3.25 0.04 0.00 -1.84 0.00 0.00 35.03 30.02 3fw5 n LYS 62 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3fw5 s SER 63 N -2.39 5.44 -0.13 4.39 1.04 -1.26 -4.59 113.70 116.19 3fw5 s SER 63 Ca 0.00 0.86 -0.05 0.00 0.48 0.00 0.00 55.95 57.24 3fw5 s SER 63 Cb 0.00 -1.73 -0.04 0.00 0.10 0.00 0.00 66.02 64.35 3fw5 s SER 63 CO 0.00 -1.24 0.03 -0.31 0.98 0.00 0.00 173.24 172.70 3fw5 s TYR 64 N -3.17 3.22 -0.31 5.02 1.51 -0.20 -0.37 117.35 123.05 3fw5 s TYR 64 Ca 0.56 0.11 -0.25 0.00 -1.01 0.00 0.00 57.07 56.49 3fw5 s TYR 64 Cb -0.11 -1.94 0.00 0.00 -0.11 0.00 0.00 41.96 39.81 3fw5 s TYR 64 CO 0.48 0.31 0.85 -0.80 -1.11 0.00 0.00 175.55 175.28 3fw5 s ASN 65 N -0.26 6.72 -0.23 2.29 0.01 -0.17 -1.31 114.94 121.99 3fw5 s ASN 65 Ca 0.07 0.73 -0.04 0.00 -0.71 0.00 0.00 52.86 52.91 3fw5 s ASN 65 Cb -0.12 -2.44 -0.00 0.00 0.41 0.00 0.00 41.25 39.10 3fw5 s ASN 65 CO 0.02 -0.68 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.21 3fw5 s VAL 66 N 3.11 3.38 -0.16 1.60 1.01 0.10 -1.20 120.40 128.25 3fw5 s VAL 66 Ca 0.35 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.77 3fw5 s VAL 66 Cb -0.14 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.67 3fw5 s VAL 66 CO 0.13 0.36 -0.21 -0.89 0.00 0.00 0.00 175.10 174.50 3fw5 s THR 67 N 1.46 2.11 -0.01 3.92 2.01 -0.39 -0.39 115.64 124.36 3fw5 s THR 67 Ca 0.05 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.13 3fw5 s THR 67 Cb -0.15 -1.86 -0.03 0.00 0.01 0.00 0.00 72.50 70.47 3fw5 s THR 67 CO -0.03 0.54 -0.06 -0.44 -0.69 0.00 0.00 174.62 173.94 3fw5 s SER 68 N 0.98 4.66 -0.11 3.53 0.01 -0.67 0.39 113.70 122.49 3fw5 s SER 68 Ca -0.03 -0.11 -0.00 0.00 1.31 0.00 0.00 55.95 57.12 3fw5 s SER 68 Cb -0.15 -1.11 0.02 0.00 0.21 0.00 0.00 66.02 64.99 3fw5 s SER 68 CO -0.06 0.30 -0.08 -0.69 0.41 0.00 0.00 173.24 173.12 3fw5 s VAL 69 N -0.96 1.07 0.07 3.43 1.01 0.04 -2.00 120.40 123.06 3fw5 s VAL 69 Ca 0.16 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 61.89 3fw5 s VAL 69 Cb -0.11 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 3fw5 s VAL 69 CO 0.06 0.37 -0.20 -0.76 0.00 0.00 0.00 175.10 174.58 3fw5 s LEU 70 N 1.60 2.23 -0.51 3.92 1.02 -0.43 -2.27 118.68 124.24 3fw5 s LEU 70 Ca 0.03 -0.58 -0.19 0.00 0.02 0.00 0.00 54.13 53.41 3fw5 s LEU 70 Cb -0.13 -0.86 0.06 0.00 0.02 0.00 0.00 46.19 45.28 3fw5 s LEU 70 CO -0.07 0.09 0.64 0.12 0.02 0.00 0.00 176.35 177.14 3fw5 s PHE 71 N -0.98 3.04 -0.03 0.29 5.99 -1.26 -0.21 117.98 124.82 3fw5 s PHE 71 Ca 0.06 -0.51 -0.00 0.00 0.00 0.00 0.00 56.93 56.48 3fw5 s PHE 71 Cb -0.09 -3.55 0.03 0.00 0.00 0.00 0.00 43.02 39.41 3fw5 s PHE 71 CO 0.03 -1.04 0.02 0.50 -0.00 0.00 0.00 175.22 174.73 3fw5 s ARG 72 N 2.68 0.15 -1.23 10.12 3.52 0.25 -4.89 118.95 129.55 3fw5 s ARG 72 Ca 0.16 0.17 -0.00 0.00 -0.13 0.00 0.00 55.73 55.92 3fw5 s ARG 72 Cb -0.19 -0.46 -0.00 0.00 -1.56 0.00 0.00 34.95 32.74 3fw5 s ARG 72 CO 0.12 -0.19 0.89 1.63 -0.81 0.00 0.00 175.30 176.94 3fw5 n LYS 73 N 4.45 -5.81 -1.27 5.12 4.01 -1.26 -1.84 118.16 121.56 3fw5 n LYS 73 Ca -0.21 0.77 -0.09 0.00 -0.51 0.00 0.00 58.31 58.26 3fw5 n LYS 73 Cb 0.50 -5.61 -0.04 0.00 -0.51 0.00 0.00 35.03 29.37 3fw5 n LYS 73 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3fw5 n LYS 74 N -4.14 -1.70 -4.22 1.97 4.01 -1.26 -4.96 118.16 107.86 3fw5 n LYS 74 Ca -0.28 0.82 -0.15 0.00 -0.51 0.00 0.00 58.31 58.19 3fw5 n LYS 74 Cb 0.67 -5.23 -0.10 0.00 -0.51 0.00 0.00 35.03 29.85 3fw5 n LYS 74 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3fw5 s LYS 75 N -2.75 0.98 -0.42 1.97 1.02 -0.76 -5.12 119.74 114.65 3fw5 s LYS 75 Ca 0.00 -1.31 -0.22 0.00 0.02 0.00 0.00 55.97 54.46 3fw5 s LYS 75 Cb 0.00 -0.63 0.02 0.00 -0.52 0.00 0.00 37.83 36.70 3fw5 s LYS 75 CO 0.00 0.09 0.70 0.00 -0.92 0.00 0.00 175.35 175.22 3fw5 s ASP 77 N 2.00 6.31 -0.06 0.00 1.11 0.71 -4.94 116.67 121.81 3fw5 s ASP 77 Ca 0.26 0.37 0.00 0.00 0.18 0.00 0.00 52.55 53.36 3fw5 s ASP 77 Cb -0.13 -2.22 -0.03 0.00 1.07 0.00 0.00 42.92 41.61 3fw5 s ASP 77 CO 0.19 -0.15 -0.04 -0.31 1.18 0.00 0.00 175.17 176.04 3fw5 s TYR 78 N 1.85 3.02 -0.02 4.23 2.02 -1.26 -1.31 117.35 125.87 3fw5 s TYR 78 Ca 0.16 0.08 -0.02 0.00 -0.37 0.00 0.00 57.07 56.93 3fw5 s TYR 78 Cb -0.15 -1.72 0.01 0.00 -0.40 0.00 0.00 41.96 39.70 3fw5 s TYR 78 CO 0.09 0.40 0.05 1.67 -1.57 0.00 0.00 175.55 176.19 3fw5 s TRP 79 N -0.90 -0.05 -0.08 2.71 -2.14 -0.85 -5.01 118.94 112.63 3fw5 s TRP 79 Ca 0.14 0.15 0.04 0.00 2.66 0.00 0.00 56.10 59.09 3fw5 s TRP 79 Cb -0.11 -0.01 -0.01 0.00 -3.10 0.00 0.00 33.47 30.23 3fw5 s TRP 79 CO 0.04 -0.04 -0.21 -1.50 -2.66 0.00 0.00 176.95 172.58 3fw5 s ILE 80 N 0.19 2.39 0.16 0.66 -1.16 -1.26 -1.67 121.20 120.51 3fw5 s ILE 80 Ca -0.01 -0.93 0.06 0.00 -0.51 0.00 0.00 60.65 59.25 3fw5 s ILE 80 Cb -0.02 -1.92 -0.04 0.00 0.61 0.00 0.00 42.46 41.09 3fw5 s ILE 80 CO -0.01 0.56 -0.12 -0.13 -2.81 0.00 0.00 174.94 172.44 3fw5 s ARG 81 N -0.05 1.12 -0.21 3.50 1.81 0.48 -4.98 118.95 120.62 3fw5 s ARG 81 Ca -0.06 -1.44 -0.02 0.00 -1.72 0.00 0.00 55.73 52.49 3fw5 s ARG 81 Cb -0.15 -0.80 0.00 0.00 -0.45 0.00 0.00 34.95 33.55 3fw5 s ARG 81 CO 0.05 0.12 -0.10 0.99 -0.68 0.00 0.00 175.30 175.68 3fw5 s THR 82 N -2.97 2.91 -0.41 0.02 2.01 -1.26 0.02 115.64 115.96 3fw5 s THR 82 Ca 0.16 -0.65 -0.17 0.00 0.31 0.00 0.00 61.69 61.35 3fw5 s THR 82 Cb 0.00 -2.30 0.02 0.00 0.01 0.00 0.00 72.50 70.23 3fw5 s THR 82 CO 0.03 0.46 0.40 -0.36 -0.69 0.00 0.00 174.62 174.46 3fw5 s PHE 83 N 1.41 3.19 -0.01 4.92 2.99 -0.43 -0.53 117.98 129.52 3fw5 s PHE 83 Ca 0.05 -0.36 -0.18 0.00 0.00 0.00 0.00 56.93 56.44 3fw5 s PHE 83 Cb -0.14 -2.80 -0.05 0.00 0.00 0.00 0.00 43.02 40.03 3fw5 s PHE 83 CO -0.07 -0.64 0.52 0.08 -0.00 0.00 0.00 175.22 175.11 3fw5 s VAL 84 N 2.03 4.96 0.08 -0.44 1.01 0.65 -1.03 120.40 127.66 3fw5 s VAL 84 Ca 0.11 1.08 -0.35 0.00 0.00 0.00 0.00 61.98 62.81 3fw5 s VAL 84 Cb -0.17 -3.85 -0.15 0.00 0.00 0.00 0.00 36.38 32.21 3fw5 s VAL 84 CO 0.13 0.47 1.52 -2.65 0.00 0.00 0.00 175.10 174.57 3fw5 n PRO 85 N 2.47 1.71 0.00 2.72 -0.02 -1.26 -0.52 135.00 140.09 3fw5 n PRO 85 Ca -0.09 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3fw5 n PRO 85 Cb 0.51 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3fw5 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fw5 n GLY 86 N 3.20 0.62 0.26 -1.23 0.00 0.67 -4.69 105.19 104.02 3fw5 n GLY 86 Ca 0.19 -1.81 -0.00 0.00 0.00 0.00 0.00 46.02 44.39 3fw5 n GLY 86 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3fw5 h SER 87 N 0.00 0.43 -4.20 1.61 0.02 -1.94 -3.43 113.55 106.04 3fw5 h SER 87 Ca 0.00 -0.10 -0.55 0.00 -0.84 0.00 0.00 61.79 60.30 3fw5 h SER 87 Cb 0.00 -0.11 -0.22 0.00 0.14 0.00 0.00 62.40 62.21 3fw5 h SER 87 CO 0.00 0.57 -0.82 -1.10 -1.14 0.00 0.00 176.83 174.33 3fw5 s GLN 88 N -4.80 1.11 0.23 3.45 -0.21 -1.26 -5.09 119.66 113.09 3fw5 s GLN 88 Ca -0.07 -1.15 -0.31 0.00 0.02 0.00 0.00 55.36 53.85 3fw5 s GLN 88 Cb 0.15 -1.36 -0.12 0.00 1.00 0.00 0.00 33.01 32.68 3fw5 s GLN 88 CO 0.76 0.32 1.67 -2.30 -2.12 0.00 0.00 175.29 173.62 3fw5 n PRO 89 N 1.10 2.69 0.00 2.91 -0.02 -1.26 -1.37 135.00 139.06 3fw5 n PRO 89 Ca -0.20 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3fw5 n PRO 89 Cb 0.54 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 3fw5 n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fw5 n GLY 90 N 3.29 0.43 3.72 -1.23 0.00 -1.26 -4.56 105.19 105.57 3fw5 n GLY 90 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3fw5 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fw5 s GLU 91 N -0.96 2.67 -0.03 1.61 2.02 -0.47 -0.81 118.70 122.73 3fw5 s GLU 91 Ca 0.00 -0.79 -0.07 0.00 0.02 0.00 0.00 54.97 54.13 3fw5 s GLU 91 Cb 0.00 -2.61 0.01 0.00 0.10 0.00 0.00 34.13 31.63 3fw5 s GLU 91 CO 0.00 0.55 0.16 -0.06 0.02 0.00 0.00 175.26 175.93 3fw5 s PHE 92 N -1.35 -0.06 0.35 1.61 0.40 -0.03 -0.24 117.98 118.66 3fw5 s PHE 92 Ca 0.27 0.13 0.07 0.00 -0.60 0.00 0.00 56.93 56.80 3fw5 s PHE 92 Cb -0.12 0.00 -0.03 0.00 0.51 0.00 0.00 43.02 43.39 3fw5 s PHE 92 CO 0.20 -0.22 0.31 0.95 0.70 0.00 0.00 175.22 177.16 3fw5 s THR 93 N -0.80 3.41 -0.08 0.64 -4.23 0.32 -0.75 115.64 114.15 3fw5 s THR 93 Ca -0.09 -1.36 -0.22 0.00 -1.18 0.00 0.00 61.69 58.83 3fw5 s THR 93 Cb -0.05 -3.16 -0.04 0.00 1.34 0.00 0.00 72.50 70.59 3fw5 s THR 93 CO 0.01 -0.15 0.65 -0.22 -0.54 0.00 0.00 174.62 174.37 3fw5 s LEU 94 N -4.02 4.31 0.31 4.79 2.96 -1.26 -0.25 118.68 125.52 3fw5 s LEU 94 Ca 0.42 1.11 -0.29 0.00 -0.22 0.00 0.00 54.13 55.15 3fw5 s LEU 94 Cb -0.05 -2.99 -0.10 0.00 0.50 0.00 0.00 46.19 43.55 3fw5 s LEU 94 CO 0.27 -0.09 1.15 -0.83 -1.32 0.00 0.00 176.35 175.53 3fw5 s GLY 95 N 0.74 3.01 -1.23 7.98 0.00 0.31 -4.02 107.32 114.11 3fw5 s GLY 95 Ca 0.35 0.98 -0.00 0.00 0.00 0.00 0.00 44.72 46.05 3fw5 s GLY 95 CO 0.16 1.57 0.90 0.70 0.00 0.00 0.00 173.10 176.44 3fw5 n ASN 96 N 0.91 -1.81 0.26 1.64 3.02 -1.26 -4.68 115.26 113.34 3fw5 n ASN 96 Ca 0.00 -0.69 0.11 0.00 -0.03 0.00 0.00 54.58 53.97 3fw5 n ASN 96 Cb 0.44 -4.77 0.71 0.00 -0.61 0.00 0.00 39.78 35.55 3fw5 n ASN 96 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3fw5 h ILE 97 N -1.88 0.76 0.00 2.41 2.10 -1.95 -1.97 117.51 116.98 3fw5 h ILE 97 Ca -0.60 -0.34 -0.03 0.00 1.08 0.00 0.00 64.86 64.98 3fw5 h ILE 97 Cb 1.35 1.20 -0.00 0.00 -1.09 0.00 0.00 36.82 38.27 3fw5 h ILE 97 CO 0.52 0.08 -0.15 0.11 -1.08 0.00 0.00 178.15 177.63 3fw5 h LYS 98 N 0.00 0.00 0.00 2.19 1.57 -1.90 -2.28 116.57 116.15 3fw5 h LYS 98 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fw5 h LYS 98 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3fw5 h LYS 98 CO 0.01 0.15 0.00 -1.13 -0.57 0.00 0.00 179.45 177.91 3fw5 n SER 99 N -3.91 0.00 -4.38 0.86 3.41 -0.74 -4.59 113.62 104.27 3fw5 n SER 99 Ca -0.02 0.13 -0.40 0.00 -0.26 0.00 0.00 58.87 58.32 3fw5 n SER 99 Cb 0.25 -0.35 -0.11 0.00 -0.26 0.00 0.00 64.21 63.73 3fw5 n SER 99 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3fw5 s TYR 100 N -2.70 3.23 0.11 7.33 1.51 -0.86 -5.07 117.35 120.90 3fw5 s TYR 100 Ca 0.18 -0.90 -0.31 0.00 -1.01 0.00 0.00 57.07 55.03 3fw5 s TYR 100 Cb 0.14 -2.41 -0.10 0.00 -0.11 0.00 0.00 41.96 39.48 3fw5 s TYR 100 CO 0.35 -0.61 1.77 -2.14 -1.11 0.00 0.00 175.55 173.81 3fw5 s PRO 101 N 1.56 4.15 0.00 -1.71 0.02 -1.26 -2.55 135.00 135.21 3fw5 s PRO 101 Ca 0.02 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.57 3fw5 s PRO 101 Cb -0.19 -3.56 0.00 0.00 0.02 0.00 0.00 34.50 30.78 3fw5 s PRO 101 CO 0.06 -0.80 0.00 0.41 -0.33 0.00 0.00 177.00 176.34 3fw5 n GLY 102 N 4.15 1.67 3.56 0.52 0.00 -1.26 -4.88 105.19 108.95 3fw5 n GLY 102 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3fw5 n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fw5 s LEU 103 N 0.00 4.29 0.00 0.99 2.96 -1.06 -1.41 118.68 124.45 3fw5 s LEU 103 Ca 0.00 0.08 0.10 0.00 -0.22 0.00 0.00 54.13 54.08 3fw5 s LEU 103 Cb 0.00 -2.77 -0.07 0.00 0.50 0.00 0.00 46.19 43.84 3fw5 s LEU 103 CO 0.00 -0.62 0.47 0.35 -1.32 0.00 0.00 176.35 175.23 3fw5 n THR 104 N 5.62 0.00 -3.66 3.68 -2.24 -0.67 -4.78 114.28 112.24 3fw5 n THR 104 Ca -0.01 -0.31 -0.15 0.00 -2.27 0.00 0.00 64.05 61.31 3fw5 n THR 104 Cb 0.48 1.03 -0.08 0.00 -2.10 0.00 0.00 70.33 69.67 3fw5 n THR 104 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3fw5 s SER 105 N -1.74 -0.50 -0.29 3.42 0.15 -1.22 -4.94 113.70 108.57 3fw5 s SER 105 Ca 0.05 0.74 -0.10 0.00 0.70 0.00 0.00 55.95 57.34 3fw5 s SER 105 Cb 0.07 0.75 0.13 0.00 -1.71 0.00 0.00 66.02 65.26 3fw5 s SER 105 CO 0.35 -0.37 0.63 -0.47 1.20 0.00 0.00 173.24 174.58 3fw5 s TYR 106 N -0.53 -1.30 -0.02 3.44 6.14 -1.26 -1.82 117.35 122.00 3fw5 s TYR 106 Ca -0.06 2.27 0.02 0.00 0.64 0.00 0.00 57.07 59.93 3fw5 s TYR 106 Cb -0.03 0.77 0.01 0.00 0.42 0.00 0.00 41.96 43.12 3fw5 s TYR 106 CO 0.04 -0.65 -0.05 -1.17 0.64 0.00 0.00 175.55 174.36 3fw5 s LEU 107 N 2.84 1.69 -0.06 6.97 2.96 0.17 -3.98 118.68 129.27 3fw5 s LEU 107 Ca -0.06 -0.12 0.06 0.00 -0.22 0.00 0.00 54.13 53.79 3fw5 s LEU 107 Cb -0.12 -0.37 -0.01 0.00 0.50 0.00 0.00 46.19 46.19 3fw5 s LEU 107 CO -0.19 0.02 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.93 3fw5 s VAL 108 N 0.34 2.14 -0.08 1.68 1.01 0.08 -0.69 120.40 124.88 3fw5 s VAL 108 Ca -0.04 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 3fw5 s VAL 108 Cb -0.08 -1.78 0.03 0.00 0.00 0.00 0.00 36.38 34.55 3fw5 s VAL 108 CO -0.00 0.57 0.03 -0.60 0.00 0.00 0.00 175.10 175.10 3fw5 s ARG 109 N -0.18 0.35 -0.29 2.72 3.52 0.22 -0.85 118.95 124.44 3fw5 s ARG 109 Ca -0.03 0.13 -0.29 0.00 -0.13 0.00 0.00 55.73 55.42 3fw5 s ARG 109 Cb -0.14 -0.99 0.00 0.00 -1.56 0.00 0.00 34.95 32.26 3fw5 s ARG 109 CO 0.03 -0.37 1.28 0.08 -0.81 0.00 0.00 175.30 175.51 3fw5 s VAL 110 N 2.04 4.18 -0.08 7.11 1.01 0.01 -0.34 120.40 134.33 3fw5 s VAL 110 Ca 0.04 1.34 -0.25 0.00 0.00 0.00 0.00 61.98 63.12 3fw5 s VAL 110 Cb -0.13 -4.17 -0.28 0.00 0.00 0.00 0.00 36.38 31.80 3fw5 s VAL 110 CO -0.05 -0.45 0.89 0.58 0.00 0.00 0.00 175.10 176.06 3fw5 h VAL 111 N 5.91 1.61 -2.11 2.92 2.07 -1.03 -0.18 116.25 125.44 3fw5 h VAL 111 Ca -0.26 -2.36 -0.05 0.00 0.82 0.00 0.00 66.70 64.86 3fw5 h VAL 111 Cb 1.09 3.17 -0.18 0.00 -1.52 0.00 0.00 31.29 33.85 3fw5 h VAL 111 CO 1.03 0.65 0.21 -0.94 0.02 0.00 0.00 177.57 178.54 3fw5 s SER 112 N -6.61 -0.63 -0.18 0.57 1.04 -1.12 -2.56 113.70 104.22 3fw5 s SER 112 Ca -0.16 0.60 -0.29 0.00 0.48 0.00 0.00 55.95 56.59 3fw5 s SER 112 Cb -0.00 0.53 0.12 0.00 0.10 0.00 0.00 66.02 66.77 3fw5 s SER 112 CO 0.77 -0.64 0.98 0.28 0.98 0.00 0.00 173.24 175.61 3fw5 s THR 113 N -1.54 0.00 -1.31 2.02 -1.32 -1.26 -0.26 115.64 111.97 3fw5 s THR 113 Ca -0.09 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.53 3fw5 s THR 113 Cb -0.00 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 70.34 3fw5 s THR 113 CO 0.06 0.00 1.27 -0.46 -2.21 0.00 0.00 174.62 173.28 3fw5 n ASN 114 N 1.10 3.03 0.00 8.08 6.94 -1.00 -5.02 115.26 128.39 3fw5 n ASN 114 Ca -0.11 -1.93 0.00 0.00 -0.02 0.00 0.00 54.58 52.52 3fw5 n ASN 114 Cb 0.57 -0.25 0.00 0.00 -2.36 0.00 0.00 39.78 37.75 3fw5 n ASN 114 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 3fw5 n TYR 115 N 0.82 0.00 1.01 -2.53 4.01 -1.25 -4.40 117.16 114.82 3fw5 n TYR 115 Ca 0.14 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.99 3fw5 n TYR 115 Cb 0.46 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.50 3fw5 n TYR 115 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 3fw5 n ASN 116 N 1.18 1.89 0.09 7.72 0.23 -1.26 -4.82 115.26 120.28 3fw5 n ASN 116 Ca 0.00 -1.44 0.00 0.00 -0.53 0.00 0.00 54.58 52.61 3fw5 n ASN 116 Cb 0.00 0.50 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 3fw5 n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fw5 n GLN 117 N -0.18 0.00 -4.17 -3.83 6.02 -1.26 -4.79 117.38 109.18 3fw5 n GLN 117 Ca 0.09 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.98 3fw5 n GLN 117 Cb 0.45 -0.11 -0.10 0.00 1.02 0.00 0.00 30.24 31.51 3fw5 n GLN 117 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 3fw5 s HIS 118 N -1.71 0.88 -0.05 1.08 -3.43 -1.26 -1.14 115.29 109.67 3fw5 s HIS 118 Ca 0.00 -1.02 -0.22 0.00 -0.80 0.00 0.00 55.06 53.02 3fw5 s HIS 118 Cb 0.00 -0.53 0.05 0.00 -1.43 0.00 0.00 32.58 30.67 3fw5 s HIS 118 CO 0.00 -0.27 0.49 0.00 -2.00 0.00 0.00 174.74 172.96 3fw5 s ALA 119 N -3.76 -1.25 -0.11 -1.38 0.00 -0.76 -2.38 121.76 112.13 3fw5 s ALA 119 Ca 0.16 0.87 0.03 0.00 0.00 0.00 0.00 51.96 53.02 3fw5 s ALA 119 Cb 0.06 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.13 3fw5 s ALA 119 CO -0.03 -0.30 -0.22 -1.64 0.00 0.00 0.00 175.76 173.57 3fw5 s MET 120 N -1.08 2.88 -0.06 0.00 -1.94 0.64 0.44 119.30 120.18 3fw5 s MET 120 Ca -0.11 -0.81 0.02 0.00 -1.71 0.00 0.00 55.69 53.08 3fw5 s MET 120 Cb -0.03 -2.25 0.02 0.00 2.01 0.00 0.00 34.83 34.57 3fw5 s MET 120 CO 0.06 0.08 -0.10 0.08 -0.01 0.00 0.00 175.02 175.13 3fw5 s VAL 121 N 0.59 0.96 -0.15 -6.03 1.01 -0.71 -0.63 120.40 115.43 3fw5 s VAL 121 Ca -0.13 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.35 3fw5 s VAL 121 Cb -0.17 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 3fw5 s VAL 121 CO 0.04 0.32 0.27 0.12 0.00 0.00 0.00 175.10 175.84 3fw5 s PHE 122 N 0.79 3.48 -0.03 5.22 2.19 0.53 -1.25 117.98 128.91 3fw5 s PHE 122 Ca -0.13 0.58 0.07 0.00 0.33 0.00 0.00 56.93 57.78 3fw5 s PHE 122 Cb -0.15 -2.29 -0.01 0.00 -1.31 0.00 0.00 43.02 39.26 3fw5 s PHE 122 CO 0.02 0.30 -0.23 -0.06 1.83 0.00 0.00 175.22 177.08 3fw5 s PHE 123 N 0.27 2.18 -0.03 10.12 0.08 0.35 -0.61 117.98 130.34 3fw5 s PHE 123 Ca 0.16 -0.52 -0.01 0.00 0.12 0.00 0.00 56.93 56.68 3fw5 s PHE 123 Cb -0.13 -1.42 0.03 0.00 -0.57 0.00 0.00 43.02 40.93 3fw5 s PHE 123 CO 0.04 -0.12 0.05 0.21 -0.10 0.00 0.00 175.22 175.30 3fw5 s LYS 124 N -0.34 -0.01 0.05 0.44 2.20 0.14 -1.13 119.74 121.08 3fw5 s LYS 124 Ca 0.03 0.20 -0.05 0.00 -0.36 0.00 0.00 55.97 55.80 3fw5 s LYS 124 Cb -0.11 -0.21 -0.02 0.00 -1.51 0.00 0.00 37.83 35.99 3fw5 s LYS 124 CO 0.01 -0.15 0.07 -1.59 -0.36 0.00 0.00 175.35 173.33 3fw5 s LYS 125 N 0.97 0.64 -0.26 4.03 -2.85 -0.44 0.43 119.74 122.25 3fw5 s LYS 125 Ca -0.08 -0.94 0.00 0.00 -1.00 0.00 0.00 55.97 53.95 3fw5 s LYS 125 Cb -0.11 0.24 0.04 0.00 -2.06 0.00 0.00 37.83 35.94 3fw5 s LYS 125 CO -0.03 -0.16 -0.07 0.08 0.10 0.00 0.00 175.35 175.27 3fw5 s VAL 126 N -3.24 2.62 -0.09 1.79 1.01 -0.76 -0.86 120.40 120.88 3fw5 s VAL 126 Ca 0.00 -1.32 0.02 0.00 0.00 0.00 0.00 61.98 60.68 3fw5 s VAL 126 Cb 0.03 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.99 3fw5 s VAL 126 CO -0.08 0.06 -0.14 -0.55 0.00 0.00 0.00 175.10 174.39 3fw5 s SER 127 N 1.23 2.22 -1.49 3.32 0.15 -0.49 -1.67 113.70 116.98 3fw5 s SER 127 Ca -0.04 -0.38 -0.10 0.00 0.70 0.00 0.00 55.95 56.13 3fw5 s SER 127 Cb -0.18 -0.99 0.06 0.00 -1.71 0.00 0.00 66.02 63.20 3fw5 s SER 127 CO -0.04 0.02 0.84 0.00 1.20 0.00 0.00 173.24 175.26 3fw5 n GLN 128 N 4.05 -4.93 -1.31 5.44 1.13 -0.50 -1.78 117.38 119.48 3fw5 n GLN 128 Ca -0.20 0.56 -0.11 0.00 -1.94 0.00 0.00 57.00 55.31 3fw5 n GLN 128 Cb 0.51 -5.28 -0.05 0.00 0.11 0.00 0.00 30.24 25.54 3fw5 n GLN 128 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3fw5 n ASN 129 N -2.88 -5.72 -4.48 1.08 4.13 -1.26 -4.97 115.26 101.15 3fw5 n ASN 129 Ca -0.07 0.27 -0.34 0.00 1.68 0.00 0.00 54.58 56.12 3fw5 n ASN 129 Cb 0.57 -4.17 -0.12 0.00 -1.54 0.00 0.00 39.78 34.52 3fw5 n ASN 129 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3fw5 s ARG 130 N -2.90 3.51 -0.42 3.52 0.52 -0.73 -5.09 118.95 117.36 3fw5 s ARG 130 Ca 0.00 -0.55 -0.19 0.00 -0.52 0.00 0.00 55.73 54.46 3fw5 s ARG 130 Cb 0.00 -2.82 0.02 0.00 0.52 0.00 0.00 34.95 32.67 3fw5 s ARG 130 CO 0.00 0.29 0.56 -2.00 0.02 0.00 0.00 175.30 174.17 3fw5 s GLU 131 N 0.21 3.29 0.01 3.54 2.12 -1.26 -1.39 118.70 125.22 3fw5 s GLU 131 Ca -0.04 -0.44 -0.00 0.00 0.36 0.00 0.00 54.97 54.85 3fw5 s GLU 131 Cb -0.14 -3.93 -0.04 0.00 0.26 0.00 0.00 34.13 30.28 3fw5 s GLU 131 CO 0.03 -0.90 0.10 0.71 -0.54 0.00 0.00 175.26 174.67 3fw5 s TYR 132 N 2.54 3.32 0.04 5.30 1.51 -0.04 -4.68 117.35 125.35 3fw5 s TYR 132 Ca 0.19 0.21 0.00 0.00 -1.01 0.00 0.00 57.07 56.46 3fw5 s TYR 132 Cb -0.15 -1.73 -0.03 0.00 -0.11 0.00 0.00 41.96 39.94 3fw5 s TYR 132 CO 0.16 0.56 -0.04 -0.59 -1.11 0.00 0.00 175.55 174.53 3fw5 s PHE 133 N -1.26 0.48 0.09 2.71 -0.71 -1.26 -1.33 117.98 116.70 3fw5 s PHE 133 Ca 0.25 -0.74 -0.14 0.00 -1.04 0.00 0.00 56.93 55.26 3fw5 s PHE 133 Cb -0.12 -0.33 0.02 0.00 -1.21 0.00 0.00 43.02 41.39 3fw5 s PHE 133 CO 0.17 -0.23 0.33 -1.59 -1.34 0.00 0.00 175.22 172.55 3fw5 s LYS 134 N -2.55 0.95 -0.06 1.99 -2.85 -0.29 -2.17 119.74 114.76 3fw5 s LYS 134 Ca -0.04 -0.72 0.04 0.00 -1.00 0.00 0.00 55.97 54.25 3fw5 s LYS 134 Cb -0.02 0.41 -0.00 0.00 -2.06 0.00 0.00 37.83 36.15 3fw5 s LYS 134 CO -0.04 -0.34 -0.20 0.42 0.10 0.00 0.00 175.35 175.28 3fw5 s ILE 135 N -3.51 1.71 -0.09 3.79 1.09 0.22 -0.50 121.20 123.92 3fw5 s ILE 135 Ca 0.02 -0.85 -0.00 0.00 -1.10 0.00 0.00 60.65 58.71 3fw5 s ILE 135 Cb 0.02 -1.47 -0.03 0.00 -1.06 0.00 0.00 42.46 39.92 3fw5 s ILE 135 CO -0.10 0.48 -0.07 0.42 -0.10 0.00 0.00 174.94 175.58 3fw5 s THR 136 N 0.14 3.68 -0.39 2.92 -4.23 -0.38 -0.88 115.64 116.49 3fw5 s THR 136 Ca -0.09 -0.47 -0.14 0.00 -1.18 0.00 0.00 61.69 59.81 3fw5 s THR 136 Cb -0.14 -2.53 0.02 0.00 1.34 0.00 0.00 72.50 71.18 3fw5 s THR 136 CO 0.04 0.57 0.28 -0.22 -0.54 0.00 0.00 174.62 174.75 3fw5 s LEU 137 N -0.45 4.97 0.04 4.79 2.96 0.10 -1.74 118.68 129.35 3fw5 s LEU 137 Ca 0.07 -0.84 -0.14 0.00 -0.22 0.00 0.00 54.13 53.00 3fw5 s LEU 137 Cb -0.12 -2.14 -0.06 0.00 0.50 0.00 0.00 46.19 44.37 3fw5 s LEU 137 CO 0.02 -0.41 0.43 -0.31 -1.32 0.00 0.00 176.35 174.76 3fw5 s TYR 138 N 1.67 3.68 -0.01 5.38 2.02 0.17 -1.18 117.35 129.08 3fw5 s TYR 138 Ca 0.05 0.96 0.04 0.00 -0.37 0.00 0.00 57.07 57.75 3fw5 s TYR 138 Cb -0.19 -2.27 -0.01 0.00 -0.40 0.00 0.00 41.96 39.09 3fw5 s TYR 138 CO 0.10 0.58 -0.14 0.20 -1.57 0.00 0.00 175.55 174.72 3fw5 s GLY 139 N -1.34 0.70 0.31 0.71 0.00 0.43 -1.82 107.32 106.31 3fw5 s GLY 139 Ca 0.28 -0.60 0.09 0.00 0.00 0.00 0.00 44.72 44.49 3fw5 s GLY 139 CO 0.16 -0.47 1.71 -0.09 0.00 0.00 0.00 173.10 174.41 3fw5 h ARG 140 N 5.86 0.14 -5.69 2.90 9.65 -1.42 0.27 114.38 126.10 3fw5 h ARG 140 Ca -0.34 -0.07 -0.61 0.00 -1.10 0.00 0.00 59.98 57.86 3fw5 h ARG 140 Cb 1.16 -0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.66 3fw5 h ARG 140 CO 0.49 0.56 -0.40 0.95 2.80 0.00 0.00 179.97 184.36 3fw5 s THR 141 N -4.06 1.60 -0.80 0.20 -4.23 -1.26 -4.76 115.64 102.33 3fw5 s THR 141 Ca -0.04 -1.69 0.24 0.00 -1.18 0.00 0.00 61.69 59.02 3fw5 s THR 141 Cb 0.13 -2.29 0.23 0.00 1.34 0.00 0.00 72.50 71.92 3fw5 s THR 141 CO 0.76 0.00 1.74 0.29 -0.54 0.00 0.00 174.62 176.87 3fw5 n LYS 142 N -1.52 0.12 -4.40 3.99 5.02 -1.26 -4.66 118.16 115.45 3fw5 n LYS 142 Ca -0.07 0.22 -0.24 0.00 -2.02 0.00 0.00 58.31 56.19 3fw5 n LYS 142 Cb 0.65 -1.68 -0.13 0.00 -0.02 0.00 0.00 35.03 33.85 3fw5 n LYS 142 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3fw5 s GLU 143 N -3.10 1.20 0.17 1.97 8.01 -1.26 -4.87 118.70 120.82 3fw5 s GLU 143 Ca 0.09 -1.07 0.03 0.00 0.01 0.00 0.00 54.97 54.03 3fw5 s GLU 143 Cb 0.13 -1.40 -0.05 0.00 -4.31 0.00 0.00 34.13 28.50 3fw5 s GLU 143 CO 0.46 0.34 -0.02 -0.51 0.01 0.00 0.00 175.26 175.54 3fw5 s LEU 144 N -1.63 2.24 0.96 1.80 1.43 -1.26 -4.91 118.68 117.30 3fw5 s LEU 144 Ca 0.06 -1.14 -0.11 0.00 -1.03 0.00 0.00 54.13 51.92 3fw5 s LEU 144 Cb -0.10 -0.15 0.17 0.00 0.03 0.00 0.00 46.19 46.15 3fw5 s LEU 144 CO 0.03 -0.51 1.11 0.42 0.23 0.00 0.00 176.35 177.64 3fw5 s THR 145 N -3.55 2.19 0.38 5.49 -4.23 -1.26 -4.84 115.64 109.82 3fw5 s THR 145 Ca 0.22 0.06 0.08 0.00 -1.18 0.00 0.00 61.69 60.87 3fw5 s THR 145 Cb 0.05 -2.15 0.19 0.00 1.34 0.00 0.00 72.50 71.93 3fw5 s THR 145 CO 0.04 -0.08 1.95 0.28 -0.54 0.00 0.00 174.62 176.26 3fw5 h SER 146 N -1.98 0.35 -0.30 3.99 0.02 -2.01 -2.42 113.55 111.20 3fw5 h SER 146 Ca -0.48 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.40 3fw5 h SER 146 Cb 1.28 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 3fw5 h SER 146 CO 0.45 0.41 0.10 -0.08 -1.14 0.00 0.00 176.83 176.57 3fw5 h GLU 147 N 0.37 0.46 -0.47 3.45 4.81 -1.99 -0.56 114.58 120.65 3fw5 h GLU 147 Ca 0.09 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 3fw5 h GLU 147 Cb 0.24 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3fw5 h GLU 147 CO 0.01 0.50 0.00 -0.07 -0.73 0.00 0.00 179.01 178.72 3fw5 h LEU 148 N 0.33 0.81 -0.45 1.64 3.38 -1.90 0.33 115.31 119.44 3fw5 h LEU 148 Ca 0.10 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.81 3fw5 h LEU 148 Cb 0.23 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3fw5 h LEU 148 CO -0.00 0.92 0.18 0.50 0.09 0.00 0.00 178.44 180.13 3fw5 h LYS 149 N 0.68 0.36 -0.42 1.13 3.64 -1.35 -0.92 116.57 119.68 3fw5 h LYS 149 Ca 0.13 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.36 3fw5 h LYS 149 Cb 0.50 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3fw5 h LYS 149 CO 0.02 0.24 -0.27 1.49 -2.27 0.00 0.00 179.45 178.66 3fw5 h GLU 150 N 0.37 0.90 -0.69 1.90 4.57 -0.89 -1.63 114.58 119.11 3fw5 h GLU 150 Ca 0.21 -0.40 0.07 0.00 -1.18 0.00 0.00 59.36 58.06 3fw5 h GLU 150 Cb 0.18 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.69 3fw5 h GLU 150 CO -0.19 1.06 0.37 -0.91 -1.18 0.00 0.00 179.01 178.15 3fw5 h ASN 151 N 0.77 0.52 -0.55 1.04 2.35 -0.64 -0.90 115.58 118.18 3fw5 h ASN 151 Ca 0.09 0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.81 3fw5 h ASN 151 Cb 0.83 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.12 3fw5 h ASN 151 CO 0.07 0.32 0.06 0.15 -1.65 0.00 0.00 177.43 176.38 3fw5 h PHE 152 N 0.66 1.00 -0.01 1.19 3.04 -0.93 -1.69 116.94 120.21 3fw5 h PHE 152 Ca 0.32 -0.15 -0.00 0.00 3.98 0.00 0.00 57.97 62.12 3fw5 h PHE 152 Cb 0.26 -0.27 -0.00 0.00 2.56 0.00 0.00 35.95 38.50 3fw5 h PHE 152 CO -0.09 0.90 0.00 0.82 -2.02 0.00 0.00 178.31 177.92 3fw5 h ILE 153 N 0.82 1.10 -0.66 1.41 2.04 -1.00 -0.89 117.51 120.33 3fw5 h ILE 153 Ca 0.16 -0.30 0.08 0.00 1.00 0.00 0.00 64.86 65.81 3fw5 h ILE 153 Cb 0.46 1.29 -0.06 0.00 -0.74 0.00 0.00 36.82 37.76 3fw5 h ILE 153 CO 0.02 0.08 0.33 0.03 0.00 0.00 0.00 178.15 178.60 3fw5 h ARG 154 N -0.11 0.56 -0.41 2.37 3.08 -1.10 -1.18 114.38 117.59 3fw5 h ARG 154 Ca 0.00 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 3fw5 h ARG 154 Cb 0.12 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3fw5 h ARG 154 CO -0.00 0.37 -0.07 0.35 -1.07 0.00 0.00 179.97 179.55 3fw5 h PHE 155 N 0.58 0.86 -0.90 3.04 3.57 -1.20 -1.70 116.94 121.19 3fw5 h PHE 155 Ca 0.32 -0.18 0.03 0.00 3.53 0.00 0.00 57.97 61.67 3fw5 h PHE 155 Cb 0.31 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 3fw5 h PHE 155 CO -0.11 0.88 0.59 0.77 -2.23 0.00 0.00 178.31 178.21 3fw5 h SER 156 N 0.59 0.98 0.29 0.41 0.02 -0.73 -2.33 113.55 112.77 3fw5 h SER 156 Ca 0.11 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.89 3fw5 h SER 156 Cb 0.59 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 3fw5 h SER 156 CO 0.04 0.68 -0.60 0.11 -1.14 0.00 0.00 176.83 175.91 3fw5 h LYS 157 N 1.14 0.31 0.00 3.45 1.57 -1.06 -2.70 116.57 119.28 3fw5 h LYS 157 Ca 0.35 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3fw5 h LYS 157 Cb -0.00 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3fw5 h LYS 157 CO -0.10 0.82 -0.07 0.66 -0.57 0.00 0.00 179.45 180.19 3fw5 h SER 158 N 0.23 0.00 -0.49 0.86 4.64 -0.76 -0.74 113.55 117.28 3fw5 h SER 158 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3fw5 h SER 158 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3fw5 h SER 158 CO 0.10 0.07 0.00 0.18 -0.87 0.00 0.00 176.83 176.30 3fw5 n LEU 159 N -3.58 2.71 0.00 5.97 4.77 -1.07 -4.94 117.00 120.86 3fw5 n LEU 159 Ca -0.02 -1.35 0.00 0.00 -0.03 0.00 0.00 56.01 54.60 3fw5 n LEU 159 Cb 0.18 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3fw5 n LEU 159 CO 0.28 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 3fw5 n GLY 160 N 1.26 0.78 3.74 -0.72 0.00 -0.28 -4.59 105.19 105.38 3fw5 n GLY 160 Ca 0.17 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3fw5 n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fw5 s LEU 161 N 0.00 4.33 0.76 0.99 1.43 -1.04 -5.01 118.68 120.14 3fw5 s LEU 161 Ca 0.00 0.98 -0.10 0.00 -1.03 0.00 0.00 54.13 53.98 3fw5 s LEU 161 Cb 0.00 -2.81 0.06 0.00 0.03 0.00 0.00 46.19 43.47 3fw5 s LEU 161 CO 0.00 0.03 1.11 -2.16 0.23 0.00 0.00 176.35 175.55 3fw5 s PRO 162 N 0.34 2.16 0.38 1.29 0.04 -1.26 -4.03 135.00 133.92 3fw5 s PRO 162 Ca 0.29 0.03 0.10 0.00 0.04 0.00 0.00 61.00 61.46 3fw5 s PRO 162 Cb -0.16 -2.04 0.86 0.00 0.04 0.00 0.00 34.50 33.20 3fw5 s PRO 162 CO 0.14 -1.40 1.91 0.93 0.04 0.00 0.00 177.00 178.62 3fw5 h GLU 163 N -0.84 0.61 0.00 4.56 4.39 -1.98 -0.86 114.58 120.46 3fw5 h GLU 163 Ca -0.45 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3fw5 h GLU 163 Cb 1.32 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3fw5 h GLU 163 CO 0.64 0.40 0.00 0.27 -1.16 0.00 0.00 179.01 179.16 3fw5 n ASN 164 N -4.52 0.00 -1.47 1.42 6.94 -1.26 -2.02 115.26 114.36 3fw5 n ASN 164 Ca 0.15 0.26 0.11 0.00 -0.02 0.00 0.00 54.58 55.08 3fw5 n ASN 164 Cb 0.42 -0.40 0.34 0.00 -2.36 0.00 0.00 39.78 37.79 3fw5 n ASN 164 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3fw5 n HIS 165 N -1.40 1.19 -4.05 -2.53 8.25 -0.33 -0.86 115.22 115.49 3fw5 n HIS 165 Ca 0.07 -0.54 -0.32 0.00 -0.26 0.00 0.00 57.72 56.68 3fw5 n HIS 165 Cb 0.20 -0.09 -0.16 0.00 1.12 0.00 0.00 29.99 31.06 3fw5 n HIS 165 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3fw5 s ILE 166 N -1.30 1.90 0.12 1.59 1.01 -0.85 -2.40 121.20 121.26 3fw5 s ILE 166 Ca 0.51 -1.19 0.10 0.00 0.00 0.00 0.00 60.65 60.06 3fw5 s ILE 166 Cb 0.29 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 3fw5 s ILE 166 CO 0.31 0.19 -0.22 -0.69 0.00 0.00 0.00 174.94 174.53 3fw5 s VAL 167 N 1.28 2.59 -0.44 2.92 1.01 0.14 -4.88 120.40 123.02 3fw5 s VAL 167 Ca -0.02 -1.58 0.03 0.00 0.00 0.00 0.00 61.98 60.41 3fw5 s VAL 167 Cb -0.17 -2.17 0.12 0.00 0.00 0.00 0.00 36.38 34.17 3fw5 s VAL 167 CO -0.08 0.12 0.18 -0.36 0.00 0.00 0.00 175.10 174.96 3fw5 s PHE 168 N -1.09 3.09 0.19 5.22 0.40 -1.26 -0.48 117.98 124.05 3fw5 s PHE 168 Ca 0.16 -2.92 -0.33 0.00 -0.60 0.00 0.00 56.93 53.24 3fw5 s PHE 168 Cb -0.10 -2.65 -0.15 0.00 0.51 0.00 0.00 43.02 40.63 3fw5 s PHE 168 CO 0.08 -0.82 1.25 -2.30 0.70 0.00 0.00 175.22 174.14 3fw5 n PRO 169 N 3.63 1.44 -2.38 0.24 -0.02 -1.25 -4.92 135.00 131.74 3fw5 n PRO 169 Ca 0.05 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.62 3fw5 n PRO 169 Cb 0.36 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 3fw5 n PRO 169 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fw5 s VAL 170 N -0.08 4.00 0.34 -1.45 1.01 -0.57 -4.48 120.40 119.16 3fw5 s VAL 170 Ca 0.73 1.40 -0.28 0.00 0.00 0.00 0.00 61.98 63.82 3fw5 s VAL 170 Cb -0.80 -3.90 -0.12 0.00 0.00 0.00 0.00 36.38 31.57 3fw5 s VAL 170 CO 0.51 0.05 1.40 -2.65 0.00 0.00 0.00 175.10 174.41 3fw5 n PRO 171 N 4.63 2.38 -4.31 2.72 -0.02 -1.26 -1.34 135.00 137.80 3fw5 n PRO 171 Ca 0.11 0.83 -0.16 0.00 -2.02 0.00 0.00 63.50 62.26 3fw5 n PRO 171 Cb 0.46 -2.50 -0.10 0.00 -0.02 0.00 0.00 33.50 31.34 3fw5 n PRO 171 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3fw5 s ILE 172 N -0.91 0.52 -0.12 4.25 -4.36 -1.26 -4.89 121.20 114.43 3fw5 s ILE 172 Ca 0.56 -2.00 0.15 0.00 -0.26 0.00 0.00 60.65 59.11 3fw5 s ILE 172 Cb -0.53 -2.62 -0.22 0.00 1.25 0.00 0.00 42.46 40.33 3fw5 s ILE 172 CO 0.60 -0.01 0.14 0.47 0.24 0.00 0.00 174.94 176.39 3fw5 n ASP 173 N -0.45 1.04 -4.74 4.36 10.43 -1.26 -4.84 116.55 121.08 3fw5 n ASP 173 Ca 0.00 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 56.95 3fw5 n ASP 173 Cb 0.66 1.13 -0.03 0.00 1.84 0.00 0.00 41.12 44.72 3fw5 n ASP 173 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3fw5 s GLN 174 N -2.60 4.33 0.00 -1.24 -1.52 -1.26 -3.86 119.66 113.51 3fw5 s GLN 174 Ca -0.08 2.18 0.00 0.00 -1.95 0.00 0.00 55.36 55.51 3fw5 s GLN 174 Cb 0.06 -3.15 0.00 0.00 -0.22 0.00 0.00 33.01 29.70 3fw5 s GLN 174 CO 0.67 -0.33 0.00 0.00 -0.25 0.00 0.00 175.29 175.38 3fw5 h ILE 176 N 0.00 0.00 -0.02 0.00 3.07 -1.85 -3.49 117.51 115.22 3fw5 h ILE 176 Ca 0.00 -0.75 0.00 0.00 1.55 0.00 0.00 64.86 65.66 3fw5 h ILE 176 Cb 0.00 1.74 0.00 0.00 -0.27 0.00 0.00 36.82 38.29 3fw5 h ILE 176 CO 0.00 0.00 0.00 0.47 -1.05 0.00 0.00 178.15 177.57