#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fw4 s ASP 6 N 0.00 6.84 0.03 -3.46 -0.00 -1.26 -5.03 116.67 113.79 3fw4 s ASP 6 Ca 0.00 2.60 0.09 0.00 -0.00 0.00 0.00 52.55 55.23 3fw4 s ASP 6 Cb 0.00 -2.64 -0.03 0.00 -0.00 0.00 0.00 42.92 40.25 3fw4 s ASP 6 CO 0.00 -0.50 -0.26 -0.76 -0.00 0.00 0.00 175.17 173.66 3fw4 s LEU 7 N -1.41 2.17 0.11 1.23 1.43 -1.26 -5.10 118.68 115.86 3fw4 s LEU 7 Ca 0.50 -0.55 -0.31 0.00 -1.03 0.00 0.00 54.13 52.74 3fw4 s LEU 7 Cb -0.38 -1.32 -0.09 0.00 0.03 0.00 0.00 46.19 44.43 3fw4 s LEU 7 CO 0.49 0.28 1.55 -0.63 0.23 0.00 0.00 176.35 178.26 3fw4 s ILE 8 N -0.76 2.97 0.55 -0.59 1.01 -1.26 -4.94 121.20 118.18 3fw4 s ILE 8 Ca 0.11 0.61 -0.21 0.00 0.00 0.00 0.00 60.65 61.16 3fw4 s ILE 8 Cb -0.10 -3.39 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 3fw4 s ILE 8 CO 0.01 0.03 1.27 -2.16 0.00 0.00 0.00 174.94 174.09 3fw4 s PRO 9 N 1.70 3.17 0.40 2.79 0.04 -1.26 -4.84 135.00 137.01 3fw4 s PRO 9 Ca 0.70 2.00 -0.27 0.00 0.04 0.00 0.00 61.00 63.47 3fw4 s PRO 9 Cb -0.40 -2.15 -0.09 0.00 0.04 0.00 0.00 34.50 31.89 3fw4 s PRO 9 CO 0.31 -1.09 1.40 0.00 0.04 0.00 0.00 177.00 177.66 3fw4 s ALA 10 N -1.45 3.38 0.67 8.56 0.00 -1.26 -4.98 121.76 126.68 3fw4 s ALA 10 Ca 0.73 1.42 -0.11 0.00 0.00 0.00 0.00 51.96 54.00 3fw4 s ALA 10 Cb -0.35 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.21 3fw4 s ALA 10 CO 0.40 -1.01 1.05 -1.25 0.00 0.00 0.00 175.76 174.95 3fw4 s PRO 11 N -2.22 3.15 0.45 0.00 0.04 -1.26 -5.02 135.00 130.14 3fw4 s PRO 11 Ca 0.56 0.89 -0.24 0.00 0.04 0.00 0.00 61.00 62.25 3fw4 s PRO 11 Cb -0.43 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.02 3fw4 s PRO 11 CO 0.56 -0.93 1.27 -1.25 0.04 0.00 0.00 177.00 176.70 3fw4 s PRO 12 N -5.09 3.73 0.62 0.56 0.04 -1.26 -4.90 135.00 128.70 3fw4 s PRO 12 Ca 0.57 2.06 0.41 0.00 0.04 0.00 0.00 61.00 64.07 3fw4 s PRO 12 Cb -0.13 -2.55 2.11 0.00 0.04 0.00 0.00 34.50 33.97 3fw4 s PRO 12 CO 0.55 -0.66 2.24 -0.07 0.04 0.00 0.00 177.00 179.10 3fw4 h LEU 13 N 2.23 0.00 -2.24 -3.56 3.38 -1.95 -1.33 115.31 111.85 3fw4 h LEU 13 Ca -0.50 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 3fw4 h LEU 13 Cb 1.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 3fw4 h LEU 13 CO 0.61 0.00 -0.06 0.77 0.09 0.00 0.00 178.44 179.85 3fw4 h SER 14 N 0.00 0.00 0.35 -0.43 4.64 -2.02 -1.11 113.55 114.97 3fw4 h SER 14 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fw4 h SER 14 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3fw4 h SER 14 CO 0.00 0.06 -0.17 0.29 -0.87 0.00 0.00 176.83 176.14 3fw4 n LYS 15 N -3.65 0.69 -3.76 4.77 5.02 -0.50 -4.73 118.16 116.01 3fw4 n LYS 15 Ca -0.02 -0.30 -0.37 0.00 -2.02 0.00 0.00 58.31 55.60 3fw4 n LYS 15 Cb 0.16 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.56 3fw4 n LYS 15 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3fw4 s VAL 16 N -2.52 3.44 0.89 -0.18 1.01 -0.42 -4.96 120.40 117.66 3fw4 s VAL 16 Ca 0.26 -1.85 -0.11 0.00 0.00 0.00 0.00 61.98 60.28 3fw4 s VAL 16 Cb 0.20 -3.26 0.11 0.00 0.00 0.00 0.00 36.38 33.42 3fw4 s VAL 16 CO 0.50 -0.59 1.01 -2.65 0.00 0.00 0.00 175.10 173.38 3fw4 n PRO 17 N 4.66 -0.26 -5.20 2.72 -0.02 -1.26 -4.96 135.00 130.69 3fw4 n PRO 17 Ca -0.05 -0.01 -0.32 0.00 -2.02 0.00 0.00 63.50 61.10 3fw4 n PRO 17 Cb 0.42 -2.28 -0.17 0.00 -0.02 0.00 0.00 33.50 31.44 3fw4 n PRO 17 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3fw4 s LEU 18 N -5.23 2.10 0.08 2.45 2.96 -1.26 -4.15 118.68 115.63 3fw4 s LEU 18 Ca 0.67 -0.56 -0.34 0.00 -0.22 0.00 0.00 54.13 53.68 3fw4 s LEU 18 Cb -0.25 -1.41 -0.13 0.00 0.50 0.00 0.00 46.19 44.90 3fw4 s LEU 18 CO 0.58 0.16 1.66 1.67 -1.32 0.00 0.00 176.35 179.10 3fw4 n GLN 19 N 3.53 2.13 -2.28 1.98 -0.06 -0.05 -4.93 117.38 117.72 3fw4 n GLN 19 Ca -0.19 0.77 -0.41 0.00 -2.00 0.00 0.00 57.00 55.17 3fw4 n GLN 19 Cb 0.53 -2.56 -0.03 0.00 -4.06 0.00 0.00 30.24 24.11 3fw4 n GLN 19 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 3fw4 s GLN 20 N 1.87 4.45 -1.20 3.69 0.74 -1.26 -3.84 119.66 124.10 3fw4 s GLN 20 Ca 0.83 2.00 -0.15 0.00 0.05 0.00 0.00 55.36 58.09 3fw4 s GLN 20 Cb -0.69 -3.19 -0.01 0.00 1.10 0.00 0.00 33.01 30.22 3fw4 s GLN 20 CO 0.42 -0.14 0.72 -1.71 -0.55 0.00 0.00 175.29 174.03 3fw4 n ASN 21 N 2.13 -4.00 -4.74 6.67 5.15 -1.26 -4.85 115.26 114.37 3fw4 n ASN 21 Ca 0.04 -0.99 -0.42 0.00 -0.60 0.00 0.00 54.58 52.61 3fw4 n ASN 21 Cb 0.43 -3.40 -0.02 0.00 -0.53 0.00 0.00 39.78 36.26 3fw4 n ASN 21 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 3fw4 s PHE 22 N -3.58 2.90 -0.42 1.20 2.19 -1.25 -4.98 117.98 114.04 3fw4 s PHE 22 Ca 0.34 0.82 -0.06 0.00 0.33 0.00 0.00 56.93 58.37 3fw4 s PHE 22 Cb -0.12 -3.97 0.10 0.00 -1.31 0.00 0.00 43.02 37.72 3fw4 s PHE 22 CO 0.86 -3.29 0.24 -0.65 1.83 0.00 0.00 175.22 174.21 3fw4 s GLN 23 N -0.15 2.28 0.36 10.12 -0.21 -1.26 -4.83 119.66 125.97 3fw4 s GLN 23 Ca 0.63 -1.69 0.05 0.00 0.02 0.00 0.00 55.36 54.37 3fw4 s GLN 23 Cb -0.45 -3.68 0.69 0.00 1.00 0.00 0.00 33.01 30.56 3fw4 s GLN 23 CO 0.43 -1.05 1.93 0.38 -2.12 0.00 0.00 175.29 174.87 3fw4 h ASP 24 N 8.22 0.48 -0.61 5.90 2.03 -1.99 -2.27 116.42 128.18 3fw4 h ASP 24 Ca -0.18 -0.06 -0.09 0.00 -0.73 0.00 0.00 57.03 55.97 3fw4 h ASP 24 Cb 1.06 -0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 39.42 3fw4 h ASP 24 CO 0.74 0.49 0.04 -0.55 -1.03 0.00 0.00 179.24 178.93 3fw4 h ASN 25 N 0.52 1.02 0.68 4.15 -1.07 -1.98 -3.11 115.58 115.79 3fw4 h ASN 25 Ca 0.12 -0.29 -0.15 0.00 0.07 0.00 0.00 56.30 56.05 3fw4 h ASN 25 Cb 0.20 -0.27 -0.02 0.00 -2.07 0.00 0.00 38.32 36.16 3fw4 h ASN 25 CO -0.00 1.05 -0.71 1.56 0.07 0.00 0.00 177.43 179.40 3fw4 h GLN 26 N 0.95 0.02 0.00 4.14 1.08 -1.90 -3.20 115.11 116.19 3fw4 h GLN 26 Ca 0.18 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 3fw4 h GLN 26 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 3fw4 h GLN 26 CO 0.02 0.72 0.00 0.35 -0.95 0.00 0.00 178.83 178.97 3fw4 h PHE 27 N 0.01 0.00 -4.28 2.96 3.04 -1.36 -3.46 116.94 113.85 3fw4 h PHE 27 Ca -0.01 0.00 -0.50 0.00 3.98 0.00 0.00 57.97 61.44 3fw4 h PHE 27 Cb 1.25 0.00 0.11 0.00 2.56 0.00 0.00 35.95 39.87 3fw4 h PHE 27 CO 0.00 0.00 0.34 1.14 -2.02 0.00 0.00 178.31 177.77 3fw4 s GLN 28 N -3.21 2.30 0.00 1.11 -2.07 -1.19 -4.85 119.66 111.75 3fw4 s GLN 28 Ca 0.08 0.84 0.00 0.00 -1.82 0.00 0.00 55.36 54.46 3fw4 s GLN 28 Cb 0.11 -1.93 0.00 0.00 -1.09 0.00 0.00 33.01 30.10 3fw4 s GLN 28 CO 0.53 -1.52 0.00 0.41 -1.32 0.00 0.00 175.29 173.40 3fw4 n GLY 29 N -1.83 -0.41 3.78 2.60 0.00 0.79 -4.92 105.19 105.20 3fw4 n GLY 29 Ca 0.07 -2.20 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 3fw4 n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fw4 s LYS 30 N 0.00 4.13 -0.03 1.61 2.20 -1.26 -0.56 119.74 125.84 3fw4 s LYS 30 Ca 0.00 0.41 0.06 0.00 -0.36 0.00 0.00 55.97 56.08 3fw4 s LYS 30 Cb 0.00 -3.33 -0.01 0.00 -1.51 0.00 0.00 37.83 32.98 3fw4 s LYS 30 CO 0.00 0.43 -0.20 -1.58 -0.36 0.00 0.00 175.35 173.65 3fw4 s TRP 31 N -0.26 1.83 0.04 4.03 0.52 0.18 -4.73 118.94 120.55 3fw4 s TRP 31 Ca 0.24 -0.41 -0.13 0.00 0.02 0.00 0.00 56.10 55.82 3fw4 s TRP 31 Cb -0.16 -1.20 -0.06 0.00 -1.15 0.00 0.00 33.47 30.91 3fw4 s TRP 31 CO 0.11 -0.08 0.41 0.71 0.02 0.00 0.00 176.95 178.12 3fw4 s TYR 32 N -0.31 3.66 -0.82 -1.98 2.02 0.93 -0.63 117.35 120.23 3fw4 s TYR 32 Ca 0.04 0.91 -0.20 0.00 -0.37 0.00 0.00 57.07 57.45 3fw4 s TYR 32 Cb -0.09 -2.24 0.10 0.00 -0.40 0.00 0.00 41.96 39.33 3fw4 s TYR 32 CO 0.00 0.59 1.07 0.08 -1.57 0.00 0.00 175.55 175.72 3fw4 s VAL 33 N -1.22 4.53 -0.59 0.71 1.01 -0.64 -0.31 120.40 123.88 3fw4 s VAL 33 Ca 0.28 -1.04 0.24 0.00 0.00 0.00 0.00 61.98 61.46 3fw4 s VAL 33 Cb -0.15 -4.75 -0.01 0.00 0.00 0.00 0.00 36.38 31.47 3fw4 s VAL 33 CO 0.15 -1.50 1.20 1.33 0.00 0.00 0.00 175.10 176.28 3fw4 n VAL 34 N 5.75 0.32 -3.81 2.92 0.24 -0.40 -4.49 118.33 118.86 3fw4 n VAL 34 Ca 0.13 -0.29 -0.12 0.00 -2.04 0.00 0.00 64.34 62.01 3fw4 n VAL 34 Cb 0.48 -0.04 -0.11 0.00 -1.47 0.00 0.00 33.84 32.69 3fw4 n VAL 34 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3fw4 s GLY 35 N -3.72 -0.13 -0.07 7.63 0.00 -1.06 -3.93 107.32 106.03 3fw4 s GLY 35 Ca 0.05 0.50 -0.03 0.00 0.00 0.00 0.00 44.72 45.24 3fw4 s GLY 35 CO 0.75 0.40 0.15 -2.27 0.00 0.00 0.00 173.10 172.14 3fw4 s LEU 36 N -0.15 0.52 0.02 0.66 0.20 0.68 0.36 118.68 120.96 3fw4 s LEU 36 Ca -0.03 0.31 -0.07 0.00 0.69 0.00 0.00 54.13 55.03 3fw4 s LEU 36 Cb -0.02 0.35 -0.00 0.00 -0.43 0.00 0.00 46.19 46.08 3fw4 s LEU 36 CO 0.01 -0.17 0.14 0.00 -0.29 0.00 0.00 176.35 176.03 3fw4 s ALA 37 N 1.45 -0.28 0.00 5.97 0.00 -0.24 0.50 121.76 129.16 3fw4 s ALA 37 Ca -0.06 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.66 3fw4 s ALA 37 Cb -0.12 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.17 3fw4 s ALA 37 CO -0.06 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.85 3fw4 n GLY 38 N 1.18 0.94 0.07 0.00 0.00 -1.03 0.82 105.19 107.17 3fw4 n GLY 38 Ca -0.21 -0.97 0.12 0.00 0.00 0.00 0.00 46.02 44.96 3fw4 n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fw4 n ASN 39 N 0.00 0.44 -0.57 1.61 6.94 -0.90 -2.29 115.26 120.50 3fw4 n ASN 39 Ca 0.00 0.57 0.05 0.00 -0.02 0.00 0.00 54.58 55.18 3fw4 n ASN 39 Cb 0.00 -0.68 0.14 0.00 -2.36 0.00 0.00 39.78 36.88 3fw4 n ASN 39 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3fw4 n ALA 40 N -1.66 2.17 -2.66 -2.53 0.00 -1.26 -4.66 120.51 109.91 3fw4 n ALA 40 Ca 0.05 -1.15 -0.37 0.00 0.00 0.00 0.00 53.44 51.97 3fw4 n ALA 40 Cb 0.31 -0.39 -0.09 0.00 0.00 0.00 0.00 19.45 19.28 3fw4 n ALA 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fw4 s ILE 41 N -1.04 5.33 -0.04 0.00 -1.09 -0.97 -5.08 121.20 118.30 3fw4 s ILE 41 Ca 0.21 0.28 0.03 0.00 -2.23 0.00 0.00 60.65 58.94 3fw4 s ILE 41 Cb 0.11 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 3fw4 s ILE 41 CO 0.14 0.32 -0.13 -0.76 -1.23 0.00 0.00 174.94 173.28 3fw4 s LEU 42 N 1.14 1.77 0.33 2.97 1.02 -1.26 -4.29 118.68 120.36 3fw4 s LEU 42 Ca 0.10 -0.28 -0.29 0.00 0.02 0.00 0.00 54.13 53.68 3fw4 s LEU 42 Cb -0.14 -0.78 -0.10 0.00 0.02 0.00 0.00 46.19 45.19 3fw4 s LEU 42 CO 0.05 0.08 1.35 -0.60 0.02 0.00 0.00 176.35 177.25 3fw4 s ARG 43 N 0.30 4.31 -0.34 1.70 3.52 -0.51 -5.00 118.95 122.93 3fw4 s ARG 43 Ca -0.07 2.28 -0.01 0.00 -0.13 0.00 0.00 55.73 57.80 3fw4 s ARG 43 Cb -0.12 -3.06 0.11 0.00 -1.56 0.00 0.00 34.95 30.32 3fw4 s ARG 43 CO 0.02 -0.27 0.15 -1.21 -0.81 0.00 0.00 175.30 173.18 3fw4 s GLU 44 N -1.69 0.68 0.47 5.12 0.41 -1.26 -5.01 118.70 117.42 3fw4 s GLU 44 Ca 0.51 -1.17 0.24 0.00 -0.41 0.00 0.00 54.97 54.14 3fw4 s GLU 44 Cb -0.41 -1.77 1.13 0.00 -1.78 0.00 0.00 34.13 31.30 3fw4 s GLU 44 CO 0.54 -1.06 1.93 -0.44 -0.49 0.00 0.00 175.26 175.73 3fw4 h ASP 45 N 7.73 0.00 0.15 -0.19 3.45 -1.99 -2.29 116.42 123.30 3fw4 h ASP 45 Ca -0.09 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.36 3fw4 h ASP 45 Cb 0.99 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.76 3fw4 h ASP 45 CO 0.43 0.20 -0.07 0.11 -1.57 0.00 0.00 179.24 178.34 3fw4 h LYS 46 N 0.00 -0.20 -2.91 3.56 1.79 -2.04 -3.39 116.57 113.39 3fw4 h LYS 46 Ca -0.00 0.01 -0.61 0.00 -2.18 0.00 0.00 60.65 57.87 3fw4 h LYS 46 Cb 0.57 0.05 -0.40 0.00 -1.58 0.00 0.00 32.23 30.86 3fw4 h LYS 46 CO 0.03 0.18 -0.71 0.34 -1.08 0.00 0.00 179.45 178.20 3fw4 s ASP 47 N -5.37 3.68 0.49 0.86 2.15 -1.19 -5.12 116.67 112.17 3fw4 s ASP 47 Ca -0.14 -3.32 -0.22 0.00 0.43 0.00 0.00 52.55 49.29 3fw4 s ASP 47 Cb 0.02 -1.20 -0.08 0.00 -0.30 0.00 0.00 42.92 41.35 3fw4 s ASP 47 CO 0.59 -0.16 1.06 -2.65 -0.17 0.00 0.00 175.17 173.84 3fw4 n PRO 48 N 2.63 1.34 -1.68 4.34 -0.02 -0.87 -4.77 135.00 135.97 3fw4 n PRO 48 Ca 0.19 0.49 -0.46 0.00 -2.02 0.00 0.00 63.50 61.70 3fw4 n PRO 48 Cb 0.38 -2.18 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 3fw4 n PRO 48 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3fw4 n GLN 49 N -0.31 2.34 -3.16 -0.52 -0.06 -1.26 -4.91 117.38 109.50 3fw4 n GLN 49 Ca 0.10 0.85 -0.35 0.00 -2.00 0.00 0.00 57.00 55.60 3fw4 n GLN 49 Cb 0.42 -2.68 -0.06 0.00 -4.06 0.00 0.00 30.24 23.86 3fw4 n GLN 49 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 3fw4 s LYS 50 N 2.36 4.14 0.24 3.69 1.02 -1.26 -1.68 119.74 128.25 3fw4 s LYS 50 Ca 0.84 0.75 -0.30 0.00 0.02 0.00 0.00 55.97 57.27 3fw4 s LYS 50 Cb -0.63 -2.79 -0.10 0.00 -0.52 0.00 0.00 37.83 33.79 3fw4 s LYS 50 CO 0.42 0.36 1.49 1.41 -0.92 0.00 0.00 175.35 178.11 3fw4 s MET 51 N -2.20 4.23 0.35 1.68 -2.45 -0.60 -4.72 119.30 115.58 3fw4 s MET 51 Ca 0.44 2.37 0.06 0.00 -1.25 0.00 0.00 55.69 57.31 3fw4 s MET 51 Cb -0.15 -3.10 -0.07 0.00 1.25 0.00 0.00 34.83 32.76 3fw4 s MET 51 CO 0.20 -0.49 -0.01 1.52 1.05 0.00 0.00 175.02 177.29 3fw4 s TYR 52 N 0.19 2.21 0.17 4.11 1.13 -1.26 -4.70 117.35 119.20 3fw4 s TYR 52 Ca 0.62 -0.73 0.09 0.00 -1.41 0.00 0.00 57.07 55.63 3fw4 s TYR 52 Cb -0.43 -1.43 -0.04 0.00 -1.10 0.00 0.00 41.96 38.96 3fw4 s TYR 52 CO 0.42 0.30 -0.18 0.00 -2.51 0.00 0.00 175.55 173.58 3fw4 s ALA 53 N -2.93 2.03 -0.04 9.51 0.00 -0.72 -1.62 121.76 127.98 3fw4 s ALA 53 Ca 0.34 -1.50 -0.00 0.00 0.00 0.00 0.00 51.96 50.80 3fw4 s ALA 53 Cb 0.07 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.03 3fw4 s ALA 53 CO 0.16 0.24 0.01 0.99 0.00 0.00 0.00 175.76 177.16 3fw4 s THR 54 N -2.05 0.20 -0.25 0.00 2.01 0.19 -0.80 115.64 114.96 3fw4 s THR 54 Ca 0.16 0.15 -0.08 0.00 0.31 0.00 0.00 61.69 62.22 3fw4 s THR 54 Cb -0.06 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 3fw4 s THR 54 CO 0.07 0.19 0.10 -0.63 -0.69 0.00 0.00 174.62 173.66 3fw4 s ILE 55 N 1.49 4.65 -0.36 1.82 1.09 0.14 -0.64 121.20 129.39 3fw4 s ILE 55 Ca -0.03 -0.06 -0.15 0.00 -1.10 0.00 0.00 60.65 59.32 3fw4 s ILE 55 Cb -0.13 -3.18 -0.00 0.00 -1.06 0.00 0.00 42.46 38.09 3fw4 s ILE 55 CO -0.03 0.33 0.32 -0.31 -0.10 0.00 0.00 174.94 175.15 3fw4 s TYR 56 N 1.51 3.22 -0.28 3.97 2.02 0.28 -1.64 117.35 126.43 3fw4 s TYR 56 Ca 0.06 -0.24 -0.04 0.00 -0.37 0.00 0.00 57.07 56.48 3fw4 s TYR 56 Cb -0.15 -2.62 0.02 0.00 -0.40 0.00 0.00 41.96 38.82 3fw4 s TYR 56 CO 0.05 -0.47 0.01 -1.21 -1.57 0.00 0.00 175.55 172.36 3fw4 s GLU 57 N 1.87 2.86 0.01 -0.62 2.02 -0.74 -0.15 118.70 123.95 3fw4 s GLU 57 Ca 0.09 -0.99 -0.30 0.00 0.02 0.00 0.00 54.97 53.78 3fw4 s GLU 57 Cb -0.17 -3.19 -0.05 0.00 0.10 0.00 0.00 34.13 30.82 3fw4 s GLU 57 CO 0.11 -0.47 1.23 -1.17 0.02 0.00 0.00 175.26 174.99 3fw4 s LEU 58 N 1.38 4.33 0.43 1.80 0.20 -1.26 -1.33 118.68 124.23 3fw4 s LEU 58 Ca 0.00 1.96 0.04 0.00 0.69 0.00 0.00 54.13 56.82 3fw4 s LEU 58 Cb -0.17 -3.57 0.01 0.00 -0.43 0.00 0.00 46.19 42.02 3fw4 s LEU 58 CO -0.01 -0.55 0.61 -0.54 -0.29 0.00 0.00 176.35 175.57 3fw4 s LYS 59 N 1.68 2.92 0.32 1.98 1.02 -0.27 -4.96 119.74 122.42 3fw4 s LYS 59 Ca 0.59 -0.87 0.03 0.00 0.02 0.00 0.00 55.97 55.74 3fw4 s LYS 59 Cb -0.28 -2.67 0.55 0.00 -0.52 0.00 0.00 37.83 34.91 3fw4 s LYS 59 CO 0.26 -0.26 1.85 1.05 -0.92 0.00 0.00 175.35 177.33 3fw4 h GLU 60 N 0.53 0.56 0.00 1.68 -0.00 -1.96 -0.66 114.58 114.73 3fw4 h GLU 60 Ca -0.44 -0.13 0.00 0.00 -0.00 0.00 0.00 59.36 58.79 3fw4 h GLU 60 Cb 1.27 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 29.94 3fw4 h GLU 60 CO 0.52 0.60 0.00 -0.40 -0.00 0.00 0.00 179.01 179.73 3fw4 n ASP 61 N -4.26 0.00 0.00 3.06 5.68 -1.26 -4.89 116.55 114.88 3fw4 n ASP 61 Ca 0.02 -1.48 0.00 0.00 -0.50 0.00 0.00 54.79 52.82 3fw4 n ASP 61 Cb 0.26 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 3fw4 n ASP 61 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3fw4 n LYS 62 N -0.66 -0.16 -2.26 0.11 4.76 -0.25 -5.00 118.16 114.70 3fw4 n LYS 62 Ca 0.07 0.04 -0.28 0.00 -2.87 0.00 0.00 58.31 55.26 3fw4 n LYS 62 Cb 0.03 -3.15 0.02 0.00 -1.84 0.00 0.00 35.03 30.09 3fw4 n LYS 62 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3fw4 s SER 63 N -2.51 5.93 -0.15 4.39 1.04 -1.26 -4.62 113.70 116.52 3fw4 s SER 63 Ca 0.00 1.01 -0.07 0.00 0.48 0.00 0.00 55.95 57.38 3fw4 s SER 63 Cb 0.00 -2.09 -0.04 0.00 0.10 0.00 0.00 66.02 63.99 3fw4 s SER 63 CO 0.00 -0.91 0.08 -0.31 0.98 0.00 0.00 173.24 173.08 3fw4 s TYR 64 N -3.02 3.35 -0.40 5.02 1.51 0.04 -1.12 117.35 122.74 3fw4 s TYR 64 Ca 0.53 0.26 -0.23 0.00 -1.01 0.00 0.00 57.07 56.62 3fw4 s TYR 64 Cb -0.11 -1.99 0.01 0.00 -0.11 0.00 0.00 41.96 39.76 3fw4 s TYR 64 CO 0.48 0.40 0.77 -0.80 -1.11 0.00 0.00 175.55 175.29 3fw4 s ASN 65 N -0.27 6.49 -0.28 2.29 0.01 -0.44 -1.16 114.94 121.58 3fw4 s ASN 65 Ca 0.09 0.16 -0.08 0.00 -0.71 0.00 0.00 52.86 52.32 3fw4 s ASN 65 Cb -0.12 -2.38 -0.01 0.00 0.41 0.00 0.00 41.25 39.14 3fw4 s ASN 65 CO 0.01 -0.79 0.10 -0.69 -1.51 0.00 0.00 177.10 174.22 3fw4 s VAL 66 N 3.13 4.30 -0.14 1.60 1.01 0.88 -1.79 120.40 129.40 3fw4 s VAL 66 Ca 0.30 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.92 3fw4 s VAL 66 Cb -0.13 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.14 3fw4 s VAL 66 CO 0.19 0.20 -0.20 -0.89 0.00 0.00 0.00 175.10 174.40 3fw4 s THR 67 N 1.59 2.30 0.04 3.92 2.01 -0.65 -0.16 115.64 124.68 3fw4 s THR 67 Ca 0.05 -0.90 0.06 0.00 0.31 0.00 0.00 61.69 61.21 3fw4 s THR 67 Cb -0.16 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 3fw4 s THR 67 CO 0.04 0.54 -0.16 -0.44 -0.69 0.00 0.00 174.62 173.91 3fw4 s SER 68 N 0.75 3.97 -0.07 3.53 0.01 -0.40 0.26 113.70 121.75 3fw4 s SER 68 Ca -0.08 -0.38 0.01 0.00 1.31 0.00 0.00 55.95 56.82 3fw4 s SER 68 Cb -0.16 -0.70 0.02 0.00 0.21 0.00 0.00 66.02 65.39 3fw4 s SER 68 CO 0.00 0.26 -0.09 -0.69 0.41 0.00 0.00 173.24 173.13 3fw4 s VAL 69 N -0.95 0.92 0.04 3.43 1.01 0.02 -1.74 120.40 123.13 3fw4 s VAL 69 Ca 0.15 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.83 3fw4 s VAL 69 Cb -0.11 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 3fw4 s VAL 69 CO 0.06 0.32 -0.06 -1.48 0.00 0.00 0.00 175.10 173.94 3fw4 s LEU 70 N 1.02 2.28 -0.34 3.92 -0.00 -0.59 -1.76 118.68 123.21 3fw4 s LEU 70 Ca -0.08 -0.59 -0.18 0.00 -0.00 0.00 0.00 54.13 53.27 3fw4 s LEU 70 Cb -0.15 -0.08 -0.01 0.00 -0.00 0.00 0.00 46.19 45.96 3fw4 s LEU 70 CO -0.00 -0.26 0.53 0.12 -0.00 0.00 0.00 176.35 176.74 3fw4 s PHE 71 N -1.66 3.19 -0.14 3.48 5.99 -1.26 -0.39 117.98 127.19 3fw4 s PHE 71 Ca -0.09 0.27 -0.08 0.00 0.00 0.00 0.00 56.93 57.03 3fw4 s PHE 71 Cb -0.08 -2.93 0.05 0.00 0.00 0.00 0.00 43.02 40.06 3fw4 s PHE 71 CO -0.01 -0.52 0.34 0.50 -0.00 0.00 0.00 175.22 175.54 3fw4 s ARG 72 N 2.43 0.32 -1.34 10.12 6.06 0.31 -4.92 118.95 131.95 3fw4 s ARG 72 Ca 0.20 0.65 -0.06 0.00 -2.50 0.00 0.00 55.73 54.02 3fw4 s ARG 72 Cb -0.15 -0.03 0.02 0.00 0.06 0.00 0.00 34.95 34.84 3fw4 s ARG 72 CO 0.13 -0.15 1.02 1.63 -2.50 0.00 0.00 175.30 175.43 3fw4 n LYS 73 N 4.07 -6.68 -1.37 5.12 4.01 -1.26 -1.56 118.16 120.49 3fw4 n LYS 73 Ca -0.23 0.76 -0.13 0.00 -0.51 0.00 0.00 58.31 58.21 3fw4 n LYS 73 Cb 0.55 -5.70 -0.06 0.00 -0.51 0.00 0.00 35.03 29.31 3fw4 n LYS 73 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3fw4 n LYS 74 N -4.58 -1.57 -4.25 1.97 4.76 -1.26 -4.97 118.16 108.26 3fw4 n LYS 74 Ca -0.12 0.94 -0.15 0.00 -2.87 0.00 0.00 58.31 56.11 3fw4 n LYS 74 Cb 0.60 -5.32 -0.10 0.00 -1.84 0.00 0.00 35.03 28.37 3fw4 n LYS 74 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3fw4 s LYS 75 N -3.06 1.06 -0.42 1.97 1.02 -0.60 -5.12 119.74 114.59 3fw4 s LYS 75 Ca 0.00 -1.39 -0.22 0.00 0.02 0.00 0.00 55.97 54.38 3fw4 s LYS 75 Cb 0.00 -0.72 0.02 0.00 -0.52 0.00 0.00 37.83 36.61 3fw4 s LYS 75 CO 0.00 0.11 0.70 0.00 -0.92 0.00 0.00 175.35 175.24 3fw4 s ASP 77 N 2.01 6.35 0.03 0.00 1.11 0.48 -4.95 116.67 121.71 3fw4 s ASP 77 Ca 0.26 0.42 0.03 0.00 0.18 0.00 0.00 52.55 53.44 3fw4 s ASP 77 Cb -0.13 -2.23 -0.04 0.00 1.07 0.00 0.00 42.92 41.59 3fw4 s ASP 77 CO 0.20 -0.15 -0.01 -0.31 1.18 0.00 0.00 175.17 176.07 3fw4 s TYR 78 N 1.76 3.01 -0.09 4.23 2.02 -1.26 -1.55 117.35 125.47 3fw4 s TYR 78 Ca 0.17 0.02 -0.11 0.00 -0.37 0.00 0.00 57.07 56.79 3fw4 s TYR 78 Cb -0.15 -1.62 0.03 0.00 -0.40 0.00 0.00 41.96 39.82 3fw4 s TYR 78 CO 0.09 0.45 0.29 1.67 -1.57 0.00 0.00 175.55 176.48 3fw4 s TRP 79 N -1.14 -0.28 -0.06 2.71 -2.14 -0.71 -5.00 118.94 112.33 3fw4 s TRP 79 Ca 0.21 0.67 0.06 0.00 2.66 0.00 0.00 56.10 59.69 3fw4 s TRP 79 Cb -0.11 0.10 -0.01 0.00 -3.10 0.00 0.00 33.47 30.34 3fw4 s TRP 79 CO 0.12 -0.20 -0.23 0.42 -2.66 0.00 0.00 176.95 174.40 3fw4 s ILE 80 N -0.17 2.25 0.12 0.66 1.09 -1.26 -1.27 121.20 122.62 3fw4 s ILE 80 Ca -0.03 -1.00 0.07 0.00 -1.10 0.00 0.00 60.65 58.59 3fw4 s ILE 80 Cb -0.03 -1.83 -0.04 0.00 -1.06 0.00 0.00 42.46 39.51 3fw4 s ILE 80 CO 0.01 0.57 -0.17 -0.13 -0.10 0.00 0.00 174.94 175.12 3fw4 s ARG 81 N -0.26 1.07 -0.24 2.79 1.81 0.77 -4.99 118.95 119.90 3fw4 s ARG 81 Ca -0.00 -1.20 -0.07 0.00 -1.72 0.00 0.00 55.73 52.74 3fw4 s ARG 81 Cb -0.13 -1.13 -0.02 0.00 -0.45 0.00 0.00 34.95 33.22 3fw4 s ARG 81 CO 0.03 0.24 0.05 0.99 -0.68 0.00 0.00 175.30 175.93 3fw4 s THR 82 N -1.67 4.12 -0.35 0.02 2.01 -1.26 -0.08 115.64 118.42 3fw4 s THR 82 Ca 0.08 -0.25 -0.13 0.00 0.31 0.00 0.00 61.69 61.70 3fw4 s THR 82 Cb -0.07 -2.93 -0.01 0.00 0.01 0.00 0.00 72.50 69.50 3fw4 s THR 82 CO 0.04 0.35 0.25 -0.36 -0.69 0.00 0.00 174.62 174.21 3fw4 s PHE 83 N 1.59 3.23 -0.11 4.92 2.99 -0.31 -0.30 117.98 129.99 3fw4 s PHE 83 Ca 0.06 -0.30 -0.12 0.00 0.00 0.00 0.00 56.93 56.57 3fw4 s PHE 83 Cb -0.15 -2.50 -0.05 0.00 0.00 0.00 0.00 43.02 40.33 3fw4 s PHE 83 CO 0.02 -0.41 0.29 0.08 -0.00 0.00 0.00 175.22 175.20 3fw4 s VAL 84 N 1.71 5.28 0.02 -0.44 1.01 0.55 -0.78 120.40 127.75 3fw4 s VAL 84 Ca 0.06 0.54 -0.36 0.00 0.00 0.00 0.00 61.98 62.22 3fw4 s VAL 84 Cb -0.18 -3.60 -0.15 0.00 0.00 0.00 0.00 36.38 32.46 3fw4 s VAL 84 CO 0.10 0.50 1.54 -2.65 0.00 0.00 0.00 175.10 174.59 3fw4 n PRO 85 N 2.70 1.55 0.00 2.72 -0.02 -1.26 -0.43 135.00 140.27 3fw4 n PRO 85 Ca -0.14 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3fw4 n PRO 85 Cb 0.53 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3fw4 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fw4 n GLY 86 N 3.29 1.05 0.18 -1.23 0.00 0.96 -4.70 105.19 104.74 3fw4 n GLY 86 Ca 0.20 -1.68 -0.03 0.00 0.00 0.00 0.00 46.02 44.51 3fw4 n GLY 86 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3fw4 h SER 87 N 0.00 0.21 -4.20 1.61 0.02 -1.94 -3.44 113.55 105.81 3fw4 h SER 87 Ca 0.00 -0.10 -0.47 0.00 -0.84 0.00 0.00 61.79 60.38 3fw4 h SER 87 Cb 0.00 -0.06 -0.20 0.00 0.14 0.00 0.00 62.40 62.28 3fw4 h SER 87 CO 0.00 0.68 -0.79 -1.10 -1.14 0.00 0.00 176.83 174.48 3fw4 s GLN 88 N -3.93 1.00 0.05 3.45 -1.52 -1.26 -5.08 119.66 112.37 3fw4 s GLN 88 Ca -0.04 -1.13 -0.34 0.00 -1.95 0.00 0.00 55.36 51.91 3fw4 s GLN 88 Cb 0.13 -1.07 -0.13 0.00 -0.22 0.00 0.00 33.01 31.72 3fw4 s GLN 88 CO 0.78 0.23 1.74 -2.30 -0.25 0.00 0.00 175.29 175.49 3fw4 n PRO 89 N 0.95 2.23 0.00 2.91 -0.02 -1.26 -1.42 135.00 138.40 3fw4 n PRO 89 Ca -0.19 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3fw4 n PRO 89 Cb 0.55 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3fw4 n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fw4 n GLY 90 N 3.93 0.55 3.73 -1.23 0.00 -1.26 -4.55 105.19 106.35 3fw4 n GLY 90 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3fw4 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fw4 s GLU 91 N -0.74 2.72 -0.00 1.61 2.02 -0.50 -0.78 118.70 123.02 3fw4 s GLU 91 Ca 0.00 -0.76 -0.04 0.00 0.02 0.00 0.00 54.97 54.19 3fw4 s GLU 91 Cb 0.00 -2.64 -0.00 0.00 0.10 0.00 0.00 34.13 31.59 3fw4 s GLU 91 CO 0.00 0.56 0.08 -0.06 0.02 0.00 0.00 175.26 175.86 3fw4 s PHE 92 N -1.34 0.06 0.39 1.61 0.40 0.15 -0.03 117.98 119.22 3fw4 s PHE 92 Ca 0.27 -0.12 0.08 0.00 -0.60 0.00 0.00 56.93 56.56 3fw4 s PHE 92 Cb -0.12 -0.06 -0.02 0.00 0.51 0.00 0.00 43.02 43.33 3fw4 s PHE 92 CO 0.20 -0.19 0.36 0.95 0.70 0.00 0.00 175.22 177.24 3fw4 s THR 93 N -0.97 2.92 -0.09 0.64 -4.23 0.43 -1.00 115.64 113.33 3fw4 s THR 93 Ca -0.11 -1.33 -0.17 0.00 -1.18 0.00 0.00 61.69 58.90 3fw4 s THR 93 Cb -0.06 -3.05 -0.05 0.00 1.34 0.00 0.00 72.50 70.68 3fw4 s THR 93 CO 0.00 -0.05 0.45 -0.22 -0.54 0.00 0.00 174.62 174.27 3fw4 s LEU 94 N -4.10 4.32 0.37 4.79 2.96 -1.26 -0.33 118.68 125.43 3fw4 s LEU 94 Ca 0.47 0.83 -0.25 0.00 -0.22 0.00 0.00 54.13 54.95 3fw4 s LEU 94 Cb -0.04 -2.65 -0.09 0.00 0.50 0.00 0.00 46.19 43.91 3fw4 s LEU 94 CO 0.28 0.08 1.07 -0.83 -1.32 0.00 0.00 176.35 175.62 3fw4 s GLY 95 N 0.23 2.82 -1.28 7.98 0.00 0.59 -4.03 107.32 113.63 3fw4 s GLY 95 Ca 0.25 0.76 -0.10 0.00 0.00 0.00 0.00 44.72 45.63 3fw4 s GLY 95 CO 0.11 1.23 0.60 -2.01 0.00 0.00 0.00 173.10 173.03 3fw4 n ASN 96 N 0.20 -2.55 0.26 1.64 5.15 -1.26 -4.69 115.26 114.01 3fw4 n ASN 96 Ca 0.04 -1.00 0.12 0.00 -0.60 0.00 0.00 54.58 53.13 3fw4 n ASN 96 Cb 0.48 -3.23 0.70 0.00 -0.53 0.00 0.00 39.78 37.20 3fw4 n ASN 96 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 3fw4 h ILE 97 N -1.89 0.63 0.00 -1.44 2.10 -1.96 -2.24 117.51 112.70 3fw4 h ILE 97 Ca -0.65 -0.55 -0.02 0.00 1.08 0.00 0.00 64.86 64.72 3fw4 h ILE 97 Cb 1.37 1.35 -0.00 0.00 -1.09 0.00 0.00 36.82 38.44 3fw4 h ILE 97 CO 0.56 0.13 -0.11 0.11 -1.08 0.00 0.00 178.15 177.75 3fw4 h LYS 98 N 0.00 0.00 0.00 2.19 1.57 -1.89 -2.49 116.57 115.95 3fw4 h LYS 98 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fw4 h LYS 98 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3fw4 h LYS 98 CO 0.02 0.11 0.00 -1.13 -0.57 0.00 0.00 179.45 177.88 3fw4 n SER 99 N -3.72 0.00 -4.34 0.86 3.41 -0.84 -4.59 113.62 104.39 3fw4 n SER 99 Ca -0.02 0.07 -0.40 0.00 -0.26 0.00 0.00 58.87 58.25 3fw4 n SER 99 Cb 0.22 -0.33 -0.11 0.00 -0.26 0.00 0.00 64.21 63.73 3fw4 n SER 99 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3fw4 s TYR 100 N -2.66 3.26 0.13 7.33 1.51 -0.94 -5.07 117.35 120.92 3fw4 s TYR 100 Ca 0.20 -1.13 -0.32 0.00 -1.01 0.00 0.00 57.07 54.81 3fw4 s TYR 100 Cb 0.16 -2.57 -0.12 0.00 -0.11 0.00 0.00 41.96 39.33 3fw4 s TYR 100 CO 0.37 -0.71 1.77 -2.30 -1.11 0.00 0.00 175.55 173.58 3fw4 n PRO 101 N 4.97 2.62 -0.10 -1.71 -0.02 -1.26 -2.37 135.00 137.13 3fw4 n PRO 101 Ca -0.11 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3fw4 n PRO 101 Cb 0.45 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 3fw4 n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fw4 n GLY 102 N 4.04 2.40 3.59 -1.23 0.00 -1.26 -4.87 105.19 107.87 3fw4 n GLY 102 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3fw4 n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fw4 s LEU 103 N 0.00 4.08 -0.00 0.99 2.96 -1.00 -1.69 118.68 124.02 3fw4 s LEU 103 Ca 0.00 0.43 0.10 0.00 -0.22 0.00 0.00 54.13 54.44 3fw4 s LEU 103 Cb 0.00 -3.11 -0.12 0.00 0.50 0.00 0.00 46.19 43.45 3fw4 s LEU 103 CO 0.00 -0.78 0.37 0.35 -1.32 0.00 0.00 176.35 174.96 3fw4 n THR 104 N 5.87 0.00 -3.73 3.68 -2.24 -0.70 -4.80 114.28 112.36 3fw4 n THR 104 Ca 0.05 -0.26 -0.14 0.00 -2.27 0.00 0.00 64.05 61.43 3fw4 n THR 104 Cb 0.48 0.78 -0.08 0.00 -2.10 0.00 0.00 70.33 69.40 3fw4 n THR 104 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3fw4 s SER 105 N -2.33 -0.28 -0.30 3.42 0.15 -1.22 -4.95 113.70 108.20 3fw4 s SER 105 Ca 0.01 0.26 -0.12 0.00 0.70 0.00 0.00 55.95 56.80 3fw4 s SER 105 Cb 0.07 0.40 0.12 0.00 -1.71 0.00 0.00 66.02 64.91 3fw4 s SER 105 CO 0.42 -0.43 0.69 -0.47 1.20 0.00 0.00 173.24 174.65 3fw4 s TYR 106 N -1.11 -1.24 -0.02 3.44 6.14 -1.26 -2.05 117.35 121.25 3fw4 s TYR 106 Ca -0.12 2.20 0.02 0.00 0.64 0.00 0.00 57.07 59.81 3fw4 s TYR 106 Cb -0.04 0.74 0.00 0.00 0.42 0.00 0.00 41.96 43.08 3fw4 s TYR 106 CO 0.04 -0.61 -0.06 -1.17 0.64 0.00 0.00 175.55 174.39 3fw4 s LEU 107 N 2.61 1.76 -0.06 6.97 2.96 0.16 -4.17 118.68 128.92 3fw4 s LEU 107 Ca -0.07 -0.12 0.06 0.00 -0.22 0.00 0.00 54.13 53.79 3fw4 s LEU 107 Cb -0.10 -0.38 -0.01 0.00 0.50 0.00 0.00 46.19 46.20 3fw4 s LEU 107 CO -0.19 0.03 -0.25 -0.69 -1.32 0.00 0.00 176.35 173.93 3fw4 s VAL 108 N 0.23 2.03 -0.06 1.68 1.01 -0.17 -0.75 120.40 124.37 3fw4 s VAL 108 Ca -0.03 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 3fw4 s VAL 108 Cb -0.07 -1.72 0.03 0.00 0.00 0.00 0.00 36.38 34.62 3fw4 s VAL 108 CO -0.00 0.57 0.03 -0.60 0.00 0.00 0.00 175.10 175.09 3fw4 s ARG 109 N -0.18 0.31 -0.32 2.72 3.52 0.16 -0.67 118.95 124.49 3fw4 s ARG 109 Ca -0.03 0.22 -0.29 0.00 -0.13 0.00 0.00 55.73 55.50 3fw4 s ARG 109 Cb -0.14 -0.76 0.01 0.00 -1.56 0.00 0.00 34.95 32.50 3fw4 s ARG 109 CO 0.03 -0.31 1.28 0.08 -0.81 0.00 0.00 175.30 175.57 3fw4 s VAL 110 N 2.02 4.16 -0.08 7.11 1.01 0.04 -0.45 120.40 134.21 3fw4 s VAL 110 Ca 0.04 1.30 -0.26 0.00 0.00 0.00 0.00 61.98 63.07 3fw4 s VAL 110 Cb -0.12 -4.22 -0.26 0.00 0.00 0.00 0.00 36.38 31.78 3fw4 s VAL 110 CO -0.04 -0.54 0.92 0.58 0.00 0.00 0.00 175.10 176.02 3fw4 h VAL 111 N 6.00 1.63 -1.99 2.92 2.07 -0.93 -0.09 116.25 125.86 3fw4 h VAL 111 Ca -0.25 -2.16 -0.05 0.00 0.82 0.00 0.00 66.70 65.05 3fw4 h VAL 111 Cb 1.09 3.05 -0.20 0.00 -1.52 0.00 0.00 31.29 33.72 3fw4 h VAL 111 CO 1.04 0.58 0.19 -0.94 0.02 0.00 0.00 177.57 178.46 3fw4 s SER 112 N -6.36 -0.67 -0.13 0.57 1.04 -1.10 -2.43 113.70 104.62 3fw4 s SER 112 Ca -0.17 0.86 -0.30 0.00 0.48 0.00 0.00 55.95 56.82 3fw4 s SER 112 Cb -0.01 0.72 0.10 0.00 0.10 0.00 0.00 66.02 66.93 3fw4 s SER 112 CO 0.73 -0.53 0.84 0.28 0.98 0.00 0.00 173.24 175.54 3fw4 s THR 113 N -0.88 0.00 -1.28 2.02 -1.32 -1.26 -0.12 115.64 112.80 3fw4 s THR 113 Ca -0.09 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.52 3fw4 s THR 113 Cb -0.01 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.27 3fw4 s THR 113 CO 0.08 0.00 1.19 -0.46 -2.21 0.00 0.00 174.62 173.22 3fw4 n ASN 114 N 1.04 2.81 0.00 8.08 6.94 -1.01 -5.02 115.26 128.09 3fw4 n ASN 114 Ca -0.15 -1.86 0.00 0.00 -0.02 0.00 0.00 54.58 52.55 3fw4 n ASN 114 Cb 0.57 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 3fw4 n ASN 114 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 3fw4 n TYR 115 N 0.73 0.00 0.75 -2.53 4.01 -1.25 -4.49 117.16 114.38 3fw4 n TYR 115 Ca 0.12 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.94 3fw4 n TYR 115 Cb 0.42 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.46 3fw4 n TYR 115 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 3fw4 n ASN 116 N 1.16 1.81 0.07 7.72 0.23 -1.26 -4.81 115.26 120.17 3fw4 n ASN 116 Ca 0.00 -1.40 0.00 0.00 -0.53 0.00 0.00 54.58 52.65 3fw4 n ASN 116 Cb 0.00 0.40 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 3fw4 n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fw4 n GLN 117 N 0.06 0.00 -4.03 -3.83 6.02 -1.26 -4.80 117.38 109.54 3fw4 n GLN 117 Ca 0.08 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.98 3fw4 n GLN 117 Cb 0.37 -0.16 -0.09 0.00 1.02 0.00 0.00 30.24 31.38 3fw4 n GLN 117 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 3fw4 s HIS 118 N -2.00 0.54 0.03 1.08 -3.43 -1.26 -0.59 115.29 109.66 3fw4 s HIS 118 Ca 0.00 -0.95 -0.25 0.00 -0.80 0.00 0.00 55.06 53.06 3fw4 s HIS 118 Cb 0.00 -0.27 0.06 0.00 -1.43 0.00 0.00 32.58 30.94 3fw4 s HIS 118 CO 0.00 -0.56 0.57 0.00 -2.00 0.00 0.00 174.74 172.75 3fw4 s ALA 119 N -3.97 -1.48 -0.11 -1.38 0.00 -0.70 -2.41 121.76 111.71 3fw4 s ALA 119 Ca 0.16 0.80 0.02 0.00 0.00 0.00 0.00 51.96 52.94 3fw4 s ALA 119 Cb 0.06 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.50 3fw4 s ALA 119 CO -0.03 -0.48 -0.16 -1.64 0.00 0.00 0.00 175.76 173.44 3fw4 s MET 120 N -2.16 2.30 -0.07 0.00 -1.94 0.83 0.34 119.30 118.61 3fw4 s MET 120 Ca -0.07 -0.59 0.03 0.00 -1.71 0.00 0.00 55.69 53.35 3fw4 s MET 120 Cb -0.01 -1.94 0.01 0.00 2.01 0.00 0.00 34.83 34.90 3fw4 s MET 120 CO 0.01 -0.05 -0.14 0.08 -0.01 0.00 0.00 175.02 174.90 3fw4 s VAL 121 N 0.95 1.29 -0.17 -6.03 1.01 -0.74 -0.47 120.40 116.25 3fw4 s VAL 121 Ca -0.07 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.24 3fw4 s VAL 121 Cb -0.15 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 3fw4 s VAL 121 CO -0.01 0.39 0.17 0.12 0.00 0.00 0.00 175.10 175.76 3fw4 s PHE 122 N 0.59 3.48 0.01 5.22 2.19 0.40 -1.27 117.98 128.59 3fw4 s PHE 122 Ca -0.15 0.45 0.08 0.00 0.33 0.00 0.00 56.93 57.64 3fw4 s PHE 122 Cb -0.16 -2.14 -0.02 0.00 -1.31 0.00 0.00 43.02 39.39 3fw4 s PHE 122 CO 0.04 0.41 -0.23 -0.06 1.83 0.00 0.00 175.22 177.22 3fw4 s PHE 123 N -0.04 2.07 -0.06 10.12 0.08 0.32 -0.66 117.98 129.80 3fw4 s PHE 123 Ca 0.12 -0.39 -0.03 0.00 0.12 0.00 0.00 56.93 56.75 3fw4 s PHE 123 Cb -0.12 -1.30 0.04 0.00 -0.57 0.00 0.00 43.02 41.07 3fw4 s PHE 123 CO 0.01 0.02 0.14 0.21 -0.10 0.00 0.00 175.22 175.50 3fw4 s LYS 124 N -0.80 0.09 0.05 0.44 2.20 0.07 -1.22 119.74 120.58 3fw4 s LYS 124 Ca 0.09 0.36 -0.03 0.00 -0.36 0.00 0.00 55.97 56.03 3fw4 s LYS 124 Cb -0.09 -0.18 -0.02 0.00 -1.51 0.00 0.00 37.83 36.03 3fw4 s LYS 124 CO 0.00 -0.16 0.04 -1.59 -0.36 0.00 0.00 175.35 173.28 3fw4 s LYS 125 N 1.15 0.62 -0.31 4.03 -2.85 -0.13 0.41 119.74 122.65 3fw4 s LYS 125 Ca -0.09 -0.99 0.01 0.00 -1.00 0.00 0.00 55.97 53.90 3fw4 s LYS 125 Cb -0.11 0.23 0.07 0.00 -2.06 0.00 0.00 37.83 35.96 3fw4 s LYS 125 CO -0.06 -0.14 0.00 0.08 0.10 0.00 0.00 175.35 175.33 3fw4 s VAL 126 N -3.32 2.64 -0.09 1.79 1.01 -0.87 -0.44 120.40 121.11 3fw4 s VAL 126 Ca 0.01 -1.74 0.04 0.00 0.00 0.00 0.00 61.98 60.29 3fw4 s VAL 126 Cb 0.03 -2.65 -0.00 0.00 0.00 0.00 0.00 36.38 33.76 3fw4 s VAL 126 CO -0.08 -0.26 -0.23 -0.55 0.00 0.00 0.00 175.10 173.98 3fw4 s SER 127 N 1.22 3.15 -1.59 3.32 0.15 -0.34 -1.73 113.70 117.88 3fw4 s SER 127 Ca -0.01 -0.53 -0.15 0.00 0.70 0.00 0.00 55.95 55.95 3fw4 s SER 127 Cb -0.20 -1.29 0.11 0.00 -1.71 0.00 0.00 66.02 62.93 3fw4 s SER 127 CO -0.04 0.18 0.92 0.00 1.20 0.00 0.00 173.24 175.50 3fw4 n GLN 128 N 3.38 -4.71 -1.41 5.44 1.13 -0.68 -1.08 117.38 119.45 3fw4 n GLN 128 Ca -0.19 0.52 -0.14 0.00 -1.94 0.00 0.00 57.00 55.25 3fw4 n GLN 128 Cb 0.53 -5.35 -0.06 0.00 0.11 0.00 0.00 30.24 25.46 3fw4 n GLN 128 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3fw4 n ASN 129 N -2.77 -5.45 -4.46 1.08 4.13 -1.26 -4.99 115.26 101.53 3fw4 n ASN 129 Ca 0.05 0.35 -0.33 0.00 1.68 0.00 0.00 54.58 56.33 3fw4 n ASN 129 Cb 0.51 -4.21 -0.13 0.00 -1.54 0.00 0.00 39.78 34.42 3fw4 n ASN 129 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3fw4 s ARG 130 N -3.17 3.16 -0.44 3.52 0.52 -0.24 -5.09 118.95 117.21 3fw4 s ARG 130 Ca 0.00 -0.62 -0.18 0.00 -0.52 0.00 0.00 55.73 54.41 3fw4 s ARG 130 Cb 0.00 -2.64 0.03 0.00 0.52 0.00 0.00 34.95 32.85 3fw4 s ARG 130 CO 0.00 0.39 0.51 -2.00 0.02 0.00 0.00 175.30 174.22 3fw4 s GLU 131 N -0.09 3.14 -0.01 3.54 2.12 -1.26 -1.20 118.70 124.94 3fw4 s GLU 131 Ca -0.00 -0.70 -0.02 0.00 0.36 0.00 0.00 54.97 54.60 3fw4 s GLU 131 Cb -0.14 -3.98 -0.04 0.00 0.26 0.00 0.00 34.13 30.23 3fw4 s GLU 131 CO 0.03 -0.94 0.15 0.71 -0.54 0.00 0.00 175.26 174.67 3fw4 s TYR 132 N 2.34 3.46 0.05 5.30 1.51 0.42 -4.64 117.35 125.79 3fw4 s TYR 132 Ca 0.15 0.30 0.02 0.00 -1.01 0.00 0.00 57.07 56.53 3fw4 s TYR 132 Cb -0.17 -1.80 -0.03 0.00 -0.11 0.00 0.00 41.96 39.86 3fw4 s TYR 132 CO 0.14 0.62 -0.06 -0.59 -1.11 0.00 0.00 175.55 174.55 3fw4 s PHE 133 N -1.29 0.65 0.10 2.71 -0.71 -1.26 -0.95 117.98 117.23 3fw4 s PHE 133 Ca 0.26 -0.64 -0.11 0.00 -1.04 0.00 0.00 56.93 55.40 3fw4 s PHE 133 Cb -0.12 -0.39 0.01 0.00 -1.21 0.00 0.00 43.02 41.30 3fw4 s PHE 133 CO 0.17 -0.14 0.26 -1.59 -1.34 0.00 0.00 175.22 172.59 3fw4 s LYS 134 N -2.23 0.92 -0.09 1.99 -2.85 -0.35 -2.11 119.74 115.02 3fw4 s LYS 134 Ca -0.05 -0.87 0.03 0.00 -1.00 0.00 0.00 55.97 54.08 3fw4 s LYS 134 Cb -0.05 0.38 0.01 0.00 -2.06 0.00 0.00 37.83 36.11 3fw4 s LYS 134 CO -0.02 -0.32 -0.17 0.42 0.10 0.00 0.00 175.35 175.36 3fw4 s ILE 135 N -3.84 1.57 -0.14 3.79 1.09 0.24 -0.52 121.20 123.39 3fw4 s ILE 135 Ca 0.04 -0.72 -0.04 0.00 -1.10 0.00 0.00 60.65 58.83 3fw4 s ILE 135 Cb 0.04 -1.40 -0.03 0.00 -1.06 0.00 0.00 42.46 40.01 3fw4 s ILE 135 CO -0.11 0.45 -0.02 0.42 -0.10 0.00 0.00 174.94 175.58 3fw4 s THR 136 N 0.61 4.09 -0.34 2.92 -4.23 -0.40 -1.08 115.64 117.21 3fw4 s THR 136 Ca -0.15 -0.30 -0.17 0.00 -1.18 0.00 0.00 61.69 59.90 3fw4 s THR 136 Cb -0.16 -2.78 -0.01 0.00 1.34 0.00 0.00 72.50 70.88 3fw4 s THR 136 CO 0.05 0.51 0.44 -0.22 -0.54 0.00 0.00 174.62 174.86 3fw4 s LEU 137 N 0.11 4.37 -0.09 4.79 0.20 0.16 -1.79 118.68 126.43 3fw4 s LEU 137 Ca 0.00 -0.09 -0.09 0.00 0.69 0.00 0.00 54.13 54.65 3fw4 s LEU 137 Cb -0.13 -2.48 -0.04 0.00 -0.43 0.00 0.00 46.19 43.11 3fw4 s LEU 137 CO 0.02 -0.40 0.20 -0.31 -0.29 0.00 0.00 176.35 175.57 3fw4 s TYR 138 N 2.22 3.63 0.03 5.38 2.02 0.15 -1.28 117.35 129.50 3fw4 s TYR 138 Ca 0.16 0.63 0.06 0.00 -0.37 0.00 0.00 57.07 57.54 3fw4 s TYR 138 Cb -0.16 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.37 3fw4 s TYR 138 CO 0.12 0.72 -0.16 0.20 -1.57 0.00 0.00 175.55 174.86 3fw4 s GLY 139 N -1.07 0.88 0.26 0.71 0.00 0.58 -1.73 107.32 106.95 3fw4 s GLY 139 Ca 0.17 -0.86 0.11 0.00 0.00 0.00 0.00 44.72 44.15 3fw4 s GLY 139 CO 0.06 -0.80 1.55 -0.09 0.00 0.00 0.00 173.10 173.83 3fw4 h ARG 140 N 5.11 0.00 -5.66 2.90 9.65 -1.14 0.27 114.38 125.51 3fw4 h ARG 140 Ca -0.39 0.00 -0.62 0.00 -1.10 0.00 0.00 59.98 57.87 3fw4 h ARG 140 Cb 1.17 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.67 3fw4 h ARG 140 CO 0.45 0.66 -0.36 0.95 2.80 0.00 0.00 179.97 184.46 3fw4 s THR 141 N -3.38 1.40 -0.89 0.20 -4.23 -1.26 -4.78 115.64 102.70 3fw4 s THR 141 Ca -0.00 -1.66 0.28 0.00 -1.18 0.00 0.00 61.69 59.12 3fw4 s THR 141 Cb 0.12 -2.06 0.26 0.00 1.34 0.00 0.00 72.50 72.15 3fw4 s THR 141 CO 0.76 0.00 1.86 0.29 -0.54 0.00 0.00 174.62 176.99 3fw4 n LYS 142 N -1.63 0.10 -4.62 3.99 5.02 -1.26 -4.64 118.16 115.12 3fw4 n LYS 142 Ca -0.08 0.09 -0.32 0.00 -2.02 0.00 0.00 58.31 55.98 3fw4 n LYS 142 Cb 0.65 -1.62 -0.12 0.00 -0.02 0.00 0.00 35.03 33.93 3fw4 n LYS 142 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3fw4 s GLU 143 N -3.04 2.47 0.09 1.97 8.01 -1.26 -4.86 118.70 122.08 3fw4 s GLU 143 Ca 0.12 -0.74 0.06 0.00 0.01 0.00 0.00 54.97 54.42 3fw4 s GLU 143 Cb 0.16 -2.42 -0.03 0.00 -4.31 0.00 0.00 34.13 27.53 3fw4 s GLU 143 CO 0.55 0.60 -0.16 -0.48 0.01 0.00 0.00 175.26 175.78 3fw4 s LEU 144 N -1.19 2.31 0.84 1.80 2.34 -1.26 -4.92 118.68 118.60 3fw4 s LEU 144 Ca 0.15 -0.67 -0.11 0.00 0.06 0.00 0.00 54.13 53.56 3fw4 s LEU 144 Cb -0.11 -0.61 0.10 0.00 -0.56 0.00 0.00 46.19 45.01 3fw4 s LEU 144 CO 0.05 -0.06 1.09 0.42 -1.06 0.00 0.00 176.35 176.79 3fw4 s THR 145 N -1.42 2.92 0.36 5.48 -4.23 -1.26 -4.86 115.64 112.64 3fw4 s THR 145 Ca 0.02 0.30 0.12 0.00 -1.18 0.00 0.00 61.69 60.95 3fw4 s THR 145 Cb -0.09 -2.74 0.09 0.00 1.34 0.00 0.00 72.50 71.10 3fw4 s THR 145 CO 0.03 -0.39 1.81 0.77 -0.54 0.00 0.00 174.62 176.30 3fw4 h SER 146 N -1.40 0.05 -0.23 3.99 4.64 -2.01 -1.36 113.55 117.24 3fw4 h SER 146 Ca -0.46 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 60.82 3fw4 h SER 146 Cb 1.26 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 3fw4 h SER 146 CO 0.52 0.42 0.07 -0.08 -0.87 0.00 0.00 176.83 176.89 3fw4 h GLU 147 N 0.04 0.35 -0.41 4.77 4.81 -1.99 0.12 114.58 122.28 3fw4 h GLU 147 Ca 0.00 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.01 3fw4 h GLU 147 Cb 0.67 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 3fw4 h GLU 147 CO 0.05 0.44 -0.31 -0.07 -0.73 0.00 0.00 179.01 178.39 3fw4 h LEU 148 N 0.20 0.97 -0.15 1.64 4.07 -1.90 -1.23 115.31 118.90 3fw4 h LEU 148 Ca 0.07 -0.40 0.01 0.00 0.08 0.00 0.00 57.88 57.64 3fw4 h LEU 148 Cb 0.23 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 3fw4 h LEU 148 CO -0.00 1.19 0.06 0.50 -1.08 0.00 0.00 178.44 179.11 3fw4 h LYS 149 N 0.77 0.14 -0.05 1.13 3.64 -1.16 -1.19 116.57 119.86 3fw4 h LYS 149 Ca 0.08 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.34 3fw4 h LYS 149 Cb 0.89 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 3fw4 h LYS 149 CO 0.08 0.09 -0.47 0.93 -2.27 0.00 0.00 179.45 177.81 3fw4 h GLU 150 N 0.14 0.12 -0.71 1.90 5.08 -0.93 -1.01 114.58 119.16 3fw4 h GLU 150 Ca 0.06 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3fw4 h GLU 150 Cb 0.03 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3fw4 h GLU 150 CO -0.06 0.57 0.34 -0.97 -1.00 0.00 0.00 179.01 177.89 3fw4 h ASN 151 N 0.10 0.94 -0.38 1.42 -0.73 -0.99 -0.12 115.58 115.81 3fw4 h ASN 151 Ca 0.00 -0.14 -0.13 0.00 1.87 0.00 0.00 56.30 57.91 3fw4 h ASN 151 Cb 0.87 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 39.21 3fw4 h ASN 151 CO 0.07 0.81 -0.27 0.15 -0.37 0.00 0.00 177.43 177.82 3fw4 h PHE 152 N 1.00 1.00 -0.31 0.67 3.04 -0.84 -1.31 116.94 120.19 3fw4 h PHE 152 Ca 0.24 -0.27 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 3fw4 h PHE 152 Cb 0.12 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.40 3fw4 h PHE 152 CO 0.01 1.06 0.17 0.82 -2.02 0.00 0.00 178.31 178.34 3fw4 h ILE 153 N 0.66 1.13 -0.60 1.41 2.04 -1.10 -1.15 117.51 119.90 3fw4 h ILE 153 Ca 0.07 -0.35 0.05 0.00 1.00 0.00 0.00 64.86 65.64 3fw4 h ILE 153 Cb 0.84 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 3fw4 h ILE 153 CO 0.07 0.13 0.32 -0.09 0.00 0.00 0.00 178.15 178.58 3fw4 h ARG 154 N 0.37 0.58 -0.28 2.37 2.43 -0.92 -1.15 114.38 117.78 3fw4 h ARG 154 Ca 0.11 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 3fw4 h ARG 154 Cb 0.07 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3fw4 h ARG 154 CO -0.02 0.38 -0.16 0.35 -1.51 0.00 0.00 179.97 179.02 3fw4 h PHE 155 N 0.60 0.70 -0.81 2.20 3.57 -1.10 -2.29 116.94 119.80 3fw4 h PHE 155 Ca 0.27 -0.18 0.03 0.00 3.53 0.00 0.00 57.97 61.62 3fw4 h PHE 155 Cb 0.17 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 3fw4 h PHE 155 CO -0.09 0.86 0.52 0.77 -2.23 0.00 0.00 178.31 178.14 3fw4 h SER 156 N 0.34 0.87 -0.48 0.41 0.02 -1.01 -2.09 113.55 111.60 3fw4 h SER 156 Ca 0.06 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 3fw4 h SER 156 Cb 0.68 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 3fw4 h SER 156 CO 0.05 0.60 0.13 0.11 -1.14 0.00 0.00 176.83 176.58 3fw4 h LYS 157 N 1.02 0.83 0.00 3.45 1.79 -1.13 -2.51 116.57 120.02 3fw4 h LYS 157 Ca 0.32 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.61 3fw4 h LYS 157 Cb 0.00 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.52 3fw4 h LYS 157 CO -0.11 0.74 -0.08 0.66 -1.08 0.00 0.00 179.45 179.59 3fw4 h SER 158 N 0.80 0.00 -0.44 0.86 4.64 -0.79 -0.15 113.55 118.47 3fw4 h SER 158 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3fw4 h SER 158 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3fw4 h SER 158 CO -0.00 0.08 0.00 0.18 -0.87 0.00 0.00 176.83 176.22 3fw4 n LEU 159 N -3.45 2.50 0.00 5.97 4.77 -0.98 -4.93 117.00 120.89 3fw4 n LEU 159 Ca -0.02 -1.22 0.00 0.00 -0.03 0.00 0.00 56.01 54.74 3fw4 n LEU 159 Cb 0.22 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3fw4 n LEU 159 CO 0.28 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 3fw4 n GLY 160 N 1.26 0.81 3.72 -0.72 0.00 -0.07 -4.59 105.19 105.60 3fw4 n GLY 160 Ca 0.16 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3fw4 n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fw4 s LEU 161 N 0.00 4.28 0.74 0.99 1.43 -1.00 -5.01 118.68 120.12 3fw4 s LEU 161 Ca 0.00 0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 53.91 3fw4 s LEU 161 Cb 0.00 -2.81 0.05 0.00 0.03 0.00 0.00 46.19 43.46 3fw4 s LEU 161 CO 0.00 -0.05 1.11 -2.16 0.23 0.00 0.00 176.35 175.48 3fw4 s PRO 162 N 0.75 2.37 0.37 1.29 0.04 -1.26 -3.98 135.00 134.59 3fw4 s PRO 162 Ca 0.29 0.18 0.11 0.00 0.04 0.00 0.00 61.00 61.63 3fw4 s PRO 162 Cb -0.16 -2.03 0.90 0.00 0.04 0.00 0.00 34.50 33.26 3fw4 s PRO 162 CO 0.13 -1.29 1.86 0.93 0.04 0.00 0.00 177.00 178.67 3fw4 h GLU 163 N -0.80 0.58 0.00 4.56 3.07 -1.98 -0.22 114.58 119.80 3fw4 h GLU 163 Ca -0.45 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 3fw4 h GLU 163 Cb 1.30 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 3fw4 h GLU 163 CO 0.64 0.39 0.00 0.27 -1.40 0.00 0.00 179.01 178.91 3fw4 n ASN 164 N -4.56 0.00 -1.35 1.42 6.94 -1.26 -2.10 115.26 114.35 3fw4 n ASN 164 Ca 0.18 0.06 0.10 0.00 -0.02 0.00 0.00 54.58 54.90 3fw4 n ASN 164 Cb 0.54 -0.32 0.32 0.00 -2.36 0.00 0.00 39.78 37.95 3fw4 n ASN 164 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3fw4 n HIS 165 N -1.32 1.15 -4.04 -2.53 8.25 -0.09 -1.43 115.22 115.20 3fw4 n HIS 165 Ca 0.10 -0.57 -0.31 0.00 -0.26 0.00 0.00 57.72 56.68 3fw4 n HIS 165 Cb 0.19 -0.13 -0.16 0.00 1.12 0.00 0.00 29.99 31.02 3fw4 n HIS 165 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3fw4 s ILE 166 N -1.47 1.82 0.13 1.59 1.01 -0.89 -2.47 121.20 120.92 3fw4 s ILE 166 Ca 0.47 -1.02 0.10 0.00 0.00 0.00 0.00 60.65 60.20 3fw4 s ILE 166 Cb 0.28 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 3fw4 s ILE 166 CO 0.26 0.28 -0.25 -0.69 0.00 0.00 0.00 174.94 174.54 3fw4 s VAL 167 N 1.34 2.16 -0.40 2.92 1.01 0.18 -4.88 120.40 122.72 3fw4 s VAL 167 Ca 0.00 -1.74 0.03 0.00 0.00 0.00 0.00 61.98 60.27 3fw4 s VAL 167 Cb -0.15 -1.92 0.11 0.00 0.00 0.00 0.00 36.38 34.42 3fw4 s VAL 167 CO -0.09 0.04 0.15 -0.36 0.00 0.00 0.00 175.10 174.83 3fw4 s PHE 168 N -1.14 3.03 0.19 5.22 0.40 -1.26 -0.23 117.98 124.20 3fw4 s PHE 168 Ca 0.13 -2.79 -0.32 0.00 -0.60 0.00 0.00 56.93 53.35 3fw4 s PHE 168 Cb -0.10 -2.57 -0.15 0.00 0.51 0.00 0.00 43.02 40.72 3fw4 s PHE 168 CO 0.06 -0.85 1.32 -2.30 0.70 0.00 0.00 175.22 174.14 3fw4 n PRO 169 N 3.89 1.62 -2.41 0.24 -0.02 -1.25 -4.92 135.00 132.15 3fw4 n PRO 169 Ca 0.04 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 3fw4 n PRO 169 Cb 0.38 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 3fw4 n PRO 169 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3fw4 s VAL 170 N 0.00 4.09 0.23 -1.45 0.11 -0.68 -4.50 120.40 118.20 3fw4 s VAL 170 Ca 0.72 1.46 -0.32 0.00 -2.93 0.00 0.00 61.98 60.91 3fw4 s VAL 170 Cb -0.76 -3.94 -0.13 0.00 -1.53 0.00 0.00 36.38 30.03 3fw4 s VAL 170 CO 0.50 0.04 1.54 -2.65 -3.33 0.00 0.00 175.10 171.20 3fw4 n PRO 171 N 4.73 2.32 -4.38 1.54 -0.02 -1.26 -1.56 135.00 136.36 3fw4 n PRO 171 Ca 0.10 0.83 -0.19 0.00 -2.02 0.00 0.00 63.50 62.22 3fw4 n PRO 171 Cb 0.46 -2.57 -0.10 0.00 -0.02 0.00 0.00 33.50 31.26 3fw4 n PRO 171 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3fw4 s ILE 172 N 0.38 0.85 -0.03 4.25 -4.36 -1.26 -4.92 121.20 116.11 3fw4 s ILE 172 Ca 0.71 -2.00 0.14 0.00 -0.26 0.00 0.00 60.65 59.24 3fw4 s ILE 172 Cb -0.60 -2.71 -0.22 0.00 1.25 0.00 0.00 42.46 40.18 3fw4 s ILE 172 CO 0.44 -0.00 0.32 0.47 0.24 0.00 0.00 174.94 176.40 3fw4 n ASP 173 N -0.57 1.75 -4.72 4.36 10.43 -1.26 -4.82 116.55 121.72 3fw4 n ASP 173 Ca -0.01 -0.02 -0.42 0.00 2.57 0.00 0.00 54.79 56.92 3fw4 n ASP 173 Cb 0.66 1.63 -0.03 0.00 1.84 0.00 0.00 41.12 45.22 3fw4 n ASP 173 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3fw4 s GLN 174 N -2.97 4.50 0.00 -1.24 1.11 -1.26 -3.74 119.66 116.06 3fw4 s GLN 174 Ca -0.05 1.70 0.00 0.00 0.01 0.00 0.00 55.36 57.02 3fw4 s GLN 174 Cb 0.09 -3.35 0.00 0.00 -1.01 0.00 0.00 33.01 28.74 3fw4 s GLN 174 CO 0.59 -0.13 0.00 0.00 0.01 0.00 0.00 175.29 175.76 3fw4 h ILE 176 N 0.00 0.70 0.00 0.00 3.07 -1.85 -3.48 117.51 115.94 3fw4 h ILE 176 Ca 0.00 -1.97 0.00 0.00 1.55 0.00 0.00 64.86 64.44 3fw4 h ILE 176 Cb 0.00 2.33 0.00 0.00 -0.27 0.00 0.00 36.82 38.88 3fw4 h ILE 176 CO 0.00 0.40 0.00 0.47 -1.05 0.00 0.00 178.15 177.97