#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1g h ARG 3 N 0.00 0.00 0.00 0.00 2.43 -2.07 -3.42 114.38 111.32 3f1g h ARG 3 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3f1g h ARG 3 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3f1g h ARG 3 CO 0.00 0.23 0.00 0.54 -1.51 0.00 0.00 179.97 179.23 3f1g n ARG 4 N -3.16 0.00 -2.91 0.20 1.74 -1.26 -5.08 116.66 106.19 3f1g n ARG 4 Ca 0.03 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.92 3f1g n ARG 4 Cb 0.62 -0.09 0.04 0.00 -1.02 0.00 0.00 32.46 32.01 3f1g n ARG 4 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3f1g s ARG 5 N 0.00 2.50 0.00 5.56 6.06 -1.26 -4.97 118.95 126.83 3f1g s ARG 5 Ca 0.00 -1.27 0.00 0.00 -2.50 0.00 0.00 55.73 51.96 3f1g s ARG 5 Cb 0.00 -2.64 0.00 0.00 0.06 0.00 0.00 34.95 32.37 3f1g s ARG 5 CO 0.00 -0.65 0.68 -2.13 -2.50 0.00 0.00 175.30 170.70 3f1g n ARG 6 N -2.16 0.92 -3.13 5.12 0.63 -1.26 -4.92 116.66 111.85 3f1g n ARG 6 Ca 0.11 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 57.04 3f1g n ARG 6 Cb 0.60 -1.23 -0.00 0.00 0.45 0.00 0.00 32.46 32.28 3f1g n ARG 6 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3f1g n ALA 7 N -0.22 -1.57 -1.70 5.13 0.00 -1.26 -4.70 120.51 116.18 3f1g n ALA 7 Ca 0.00 0.02 -0.43 0.00 0.00 0.00 0.00 53.44 53.02 3f1g n ALA 7 Cb 0.12 -0.53 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 3f1g n ALA 7 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3f1g n GLU 8 N 1.85 2.41 -1.66 0.00 1.02 -1.26 -4.85 120.64 118.15 3f1g n GLU 8 Ca -0.00 0.86 -0.47 0.00 -0.02 0.00 0.00 57.16 57.52 3f1g n GLU 8 Cb 0.27 -2.61 -0.05 0.00 -0.02 0.00 0.00 31.44 29.04 3f1g n GLU 8 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3f1g n VAL 9 N 2.58 0.11 -1.93 2.62 0.31 -1.26 -4.86 118.33 115.89 3f1g n VAL 9 Ca 0.12 -0.02 -0.43 0.00 -0.01 0.00 0.00 64.34 64.00 3f1g n VAL 9 Cb 0.33 -1.49 -0.03 0.00 -0.91 0.00 0.00 33.84 31.75 3f1g n VAL 9 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3f1g s ARG 10 N 1.45 3.51 -0.13 5.55 3.52 -1.26 -4.97 118.95 126.62 3f1g s ARG 10 Ca 0.82 1.72 -0.23 0.00 -0.13 0.00 0.00 55.73 57.91 3f1g s ARG 10 Cb -0.73 -4.18 -0.03 0.00 -1.56 0.00 0.00 34.95 28.46 3f1g s ARG 10 CO 0.42 -1.65 0.72 -1.14 -0.81 0.00 0.00 175.30 172.84 3f1g s GLN 11 N 5.38 4.33 0.21 5.12 2.00 -1.26 -5.06 119.66 130.37 3f1g s GLN 11 Ca 0.82 0.85 0.07 0.00 -2.00 0.00 0.00 55.36 55.09 3f1g s GLN 11 Cb -0.27 -3.52 -0.04 0.00 0.80 0.00 0.00 33.01 29.98 3f1g s GLN 11 CO 0.33 -0.14 0.08 -0.48 -0.50 0.00 0.00 175.29 174.59 3f1g s LEU 12 N 1.51 3.53 0.10 3.68 2.34 -1.26 -5.09 118.68 123.49 3f1g s LEU 12 Ca 0.35 -0.34 -0.30 0.00 0.06 0.00 0.00 54.13 53.90 3f1g s LEU 12 Cb -0.17 -2.12 -0.06 0.00 -0.56 0.00 0.00 46.19 43.28 3f1g s LEU 12 CO 0.14 0.04 1.08 -1.58 -1.06 0.00 0.00 176.35 174.97 3f1g s GLN 13 N -3.32 4.56 1.03 1.48 0.74 -1.26 -4.96 119.66 117.92 3f1g s GLN 13 Ca 0.30 1.63 -0.13 0.00 0.05 0.00 0.00 55.36 57.22 3f1g s GLN 13 Cb -0.09 -3.35 0.15 0.00 1.10 0.00 0.00 33.01 30.83 3f1g s GLN 13 CO 0.21 -0.03 0.77 -2.30 -0.55 0.00 0.00 175.29 173.39 3f1g n PRO 14 N 3.21 -1.12 -1.63 1.67 -0.02 -1.26 -4.85 135.00 130.99 3f1g n PRO 14 Ca 0.05 -0.28 -0.34 0.00 -2.02 0.00 0.00 63.50 60.90 3f1g n PRO 14 Cb 0.48 -2.10 0.07 0.00 -0.02 0.00 0.00 33.50 31.93 3f1g n PRO 14 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3f1g s ASP 15 N -2.31 4.60 -0.11 2.55 3.68 -1.20 -4.82 116.67 119.06 3f1g s ASP 15 Ca 0.63 2.30 0.04 0.00 2.13 0.00 0.00 52.55 57.65 3f1g s ASP 15 Cb -0.22 -2.58 -0.24 0.00 -1.45 0.00 0.00 42.92 38.43 3f1g s ASP 15 CO 0.63 -1.99 0.40 0.18 0.13 0.00 0.00 175.17 174.53 3f1g n LEU 16 N -2.39 1.77 -0.30 -1.34 4.77 -1.26 -1.94 117.00 116.31 3f1g n LEU 16 Ca 0.13 0.24 0.12 0.00 -0.03 0.00 0.00 56.01 56.47 3f1g n LEU 16 Cb 0.50 -0.47 0.14 0.00 -2.33 0.00 0.00 43.42 41.26 3f1g n LEU 16 CO 0.47 0.65 0.40 0.52 -1.33 0.00 0.00 177.39 178.10 3f1g n VAL 17 N -3.23 0.00 0.00 4.08 0.31 -1.26 -4.52 118.33 113.71 3f1g n VAL 17 Ca -0.27 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 3f1g n VAL 17 Cb 1.05 0.83 0.00 0.00 -0.91 0.00 0.00 33.84 34.81 3f1g n VAL 17 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3f1g n TYR 18 N -0.56 0.00 -2.23 3.52 4.02 -1.26 -5.05 117.16 115.59 3f1g n TYR 18 Ca 0.09 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.89 3f1g n TYR 18 Cb 0.40 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.72 3f1g n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3f1g n GLY 19 N 0.08 0.02 2.97 2.72 0.00 -0.82 -4.92 105.19 105.23 3f1g n GLY 19 Ca 0.00 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 3f1g n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f1g s ASP 20 N -2.63 2.04 0.24 1.61 -1.08 -1.26 -4.53 116.67 111.06 3f1g s ASP 20 Ca 0.02 -0.31 -0.06 0.00 -0.52 0.00 0.00 52.55 51.68 3f1g s ASP 20 Cb -0.01 -0.86 0.33 0.00 -1.46 0.00 0.00 42.92 40.92 3f1g s ASP 20 CO 0.02 -0.05 1.85 -0.37 0.52 0.00 0.00 175.17 177.15 3f1g h VAL 21 N 6.08 1.05 -0.99 1.11 -1.51 -1.91 -1.25 116.25 118.82 3f1g h VAL 21 Ca -0.31 -0.33 0.22 0.00 -1.23 0.00 0.00 66.70 65.05 3f1g h VAL 21 Cb 1.16 -0.01 -0.10 0.00 -2.13 0.00 0.00 31.29 30.21 3f1g h VAL 21 CO 0.45 0.18 0.62 0.25 -1.23 0.00 0.00 177.57 177.84 3f1g h LEU 22 N 0.97 0.60 0.35 4.19 5.85 -1.98 -1.50 115.31 123.80 3f1g h LEU 22 Ca 0.37 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 59.16 3f1g h LEU 22 Cb 0.16 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3f1g h LEU 22 CO -0.17 0.19 -0.17 0.58 -0.34 0.00 0.00 178.44 178.53 3f1g h VAL 23 N 0.57 0.00 -0.92 1.05 2.07 -1.66 -2.95 116.25 114.41 3f1g h VAL 23 Ca 0.57 -0.17 0.26 0.00 0.82 0.00 0.00 66.70 68.18 3f1g h VAL 23 Cb 1.15 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.77 3f1g h VAL 23 CO -0.32 0.00 0.21 0.71 0.02 0.00 0.00 177.57 178.19 3f1g h THR 24 N -0.64 0.21 -0.46 2.57 1.35 -1.14 0.50 112.91 115.30 3f1g h THR 24 Ca -0.05 -0.05 0.01 0.00 -0.55 0.00 0.00 66.41 65.78 3f1g h THR 24 Cb 0.36 0.06 -0.03 0.00 -1.73 0.00 0.00 68.15 66.82 3f1g h THR 24 CO 0.08 0.02 0.29 0.00 -0.25 0.00 0.00 175.52 175.67 3f1g h ALA 25 N 1.85 0.58 0.00 6.62 0.00 -1.37 0.14 119.26 127.09 3f1g h ALA 25 Ca 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3f1g h ALA 25 Cb 1.25 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3f1g h ALA 25 CO -0.73 0.00 0.00 0.34 0.00 0.00 0.00 179.25 178.86 3f1g n PHE 26 N -4.79 0.47 -0.06 0.00 7.35 0.16 -2.27 117.46 118.32 3f1g n PHE 26 Ca 0.02 0.21 -0.05 0.00 -0.76 0.00 0.00 57.45 56.86 3f1g n PHE 26 Cb 0.04 -0.83 -0.03 0.00 0.35 0.00 0.00 39.48 39.00 3f1g n PHE 26 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3f1g h ILE 27 N 0.00 0.32 0.00 -2.13 1.08 0.43 -3.23 117.51 113.98 3f1g h ILE 27 Ca 0.00 -1.29 0.00 0.00 -0.39 0.00 0.00 64.86 63.18 3f1g h ILE 27 Cb 0.21 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 34.60 3f1g h ILE 27 CO 0.00 0.11 0.00 -0.55 -0.69 0.00 0.00 178.15 177.02 3f1g h ASN 28 N -1.00 0.00 -0.40 1.72 -1.07 -1.33 0.88 115.58 114.38 3f1g h ASN 28 Ca -0.04 0.00 -0.16 0.00 0.07 0.00 0.00 56.30 56.18 3f1g h ASN 28 Cb 0.43 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.67 3f1g h ASN 28 CO -0.02 0.00 -0.35 0.11 0.07 0.00 0.00 177.43 177.24 3f1g h LYS 29 N 0.00 0.95 -0.40 4.14 1.79 -1.59 -2.64 116.57 118.83 3f1g h LYS 29 Ca 0.00 -0.48 -0.01 0.00 -2.18 0.00 0.00 60.65 57.98 3f1g h LYS 29 Cb 0.19 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.83 3f1g h LYS 29 CO 0.00 1.14 0.22 0.82 -1.08 0.00 0.00 179.45 180.56 3f1g h ILE 30 N 0.79 1.14 -1.67 1.86 1.08 -0.91 -3.44 117.51 116.36 3f1g h ILE 30 Ca 0.07 -0.36 -0.71 0.00 -0.39 0.00 0.00 64.86 63.47 3f1g h ILE 30 Cb 0.95 0.67 0.02 0.00 -3.07 0.00 0.00 36.82 35.38 3f1g h ILE 30 CO 0.09 0.15 0.95 0.80 -0.69 0.00 0.00 178.15 179.45 3f1g n MET 31 N -4.75 1.42 -4.01 2.37 1.56 -0.33 -4.94 117.12 108.44 3f1g n MET 31 Ca 0.00 0.52 -0.28 0.00 -0.27 0.00 0.00 57.70 57.68 3f1g n MET 31 Cb 0.07 -2.25 -0.05 0.00 2.15 0.00 0.00 33.22 33.15 3f1g n MET 31 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 3f1g s ARG 32 N 3.63 3.15 -1.15 2.12 0.52 -1.26 -4.63 118.95 121.33 3f1g s ARG 32 Ca 0.97 -0.69 0.00 0.00 -0.52 0.00 0.00 55.73 55.49 3f1g s ARG 32 Cb -0.97 -2.82 0.00 0.00 0.52 0.00 0.00 34.95 31.68 3f1g s ARG 32 CO 0.62 0.53 0.00 -0.25 0.02 0.00 0.00 175.30 176.22 3f1g n ASP 33 N -0.18 -3.30 -1.59 0.23 8.00 -1.26 -1.66 116.55 116.79 3f1g n ASP 33 Ca -0.07 0.26 -0.12 0.00 0.71 0.00 0.00 54.79 55.56 3f1g n ASP 33 Cb 0.53 -3.02 0.01 0.00 -0.02 0.00 0.00 41.12 38.62 3f1g n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f1g n GLY 34 N -0.42 -0.08 3.09 0.44 0.00 -1.26 -4.97 105.19 101.99 3f1g n GLY 34 Ca -0.12 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 3f1g n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f1g n LYS 35 N -2.38 3.81 0.16 1.61 5.02 -0.66 -4.90 118.16 120.81 3f1g n LYS 35 Ca -0.11 -4.52 0.19 0.00 -2.02 0.00 0.00 58.31 51.84 3f1g n LYS 35 Cb 0.59 -2.49 0.78 0.00 -0.02 0.00 0.00 35.03 33.89 3f1g n LYS 35 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3f1g h LYS 36 N 5.81 0.00 0.07 1.97 3.64 -1.93 -3.11 116.57 123.03 3f1g h LYS 36 Ca 0.19 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3f1g h LYS 36 Cb 0.73 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3f1g h LYS 36 CO 1.14 0.00 -0.03 -0.91 -2.27 0.00 0.00 179.45 177.37 3f1g h ASN 37 N 0.00 -0.08 -0.82 4.20 2.35 -1.99 -1.43 115.58 117.81 3f1g h ASN 37 Ca 0.14 0.00 0.17 0.00 -0.55 0.00 0.00 56.30 56.06 3f1g h ASN 37 Cb 0.84 0.02 -0.15 0.00 0.05 0.00 0.00 38.32 39.08 3f1g h ASN 37 CO -0.00 -0.06 -0.14 -0.07 -1.65 0.00 0.00 177.43 175.51 3f1g h LEU 38 N -0.10 -0.65 -0.99 1.61 4.07 -1.96 0.65 115.31 117.95 3f1g h LEU 38 Ca -0.01 0.24 0.06 0.00 0.08 0.00 0.00 57.88 58.24 3f1g h LEU 38 Cb 0.07 0.47 -0.06 0.00 1.08 0.00 0.00 40.66 42.22 3f1g h LEU 38 CO 0.02 -0.26 0.64 0.00 -1.08 0.00 0.00 178.44 177.76 3f1g h ALA 39 N 1.81 1.36 0.19 1.53 0.00 -1.61 1.14 119.26 123.66 3f1g h ALA 39 Ca 0.41 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 3f1g h ALA 39 Cb 0.68 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3f1g h ALA 39 CO -0.81 0.46 -0.09 0.00 0.00 0.00 0.00 179.25 178.81 3f1g h ALA 40 N 1.44 -0.25 0.03 0.00 0.00 0.72 -2.74 119.26 118.45 3f1g h ALA 40 Ca 0.42 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3f1g h ALA 40 Cb 0.12 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3f1g h ALA 40 CO -0.16 -0.45 -0.41 -0.09 0.00 0.00 0.00 179.25 178.14 3f1g h ARG 41 N -0.65 -0.52 -0.82 0.00 2.43 0.13 -1.89 114.38 113.06 3f1g h ARG 41 Ca -0.03 0.04 0.20 0.00 -0.81 0.00 0.00 59.98 59.38 3f1g h ARG 41 Cb 0.47 0.12 -0.15 0.00 -0.42 0.00 0.00 29.97 29.99 3f1g h ARG 41 CO 0.04 -0.34 0.01 0.82 -1.51 0.00 0.00 179.97 178.98 3f1g h ILE 42 N -0.54 0.25 -0.85 1.20 2.04 0.12 0.52 117.51 120.26 3f1g h ILE 42 Ca 0.00 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3f1g h ILE 42 Cb 0.56 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 3f1g h ILE 42 CO -0.26 0.02 0.50 0.15 0.00 0.00 0.00 178.15 178.56 3f1g h PHE 43 N 0.08 1.12 0.03 1.37 3.57 -1.04 -0.56 116.94 121.51 3f1g h PHE 43 Ca 0.46 -0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.74 3f1g h PHE 43 Cb 0.85 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 3f1g h PHE 43 CO -0.45 0.75 -0.97 1.88 -2.23 0.00 0.00 178.31 177.29 3f1g h TYR 44 N 1.17 0.38 -0.87 0.41 -1.99 -0.35 0.14 116.97 115.86 3f1g h TYR 44 Ca 0.30 -0.23 0.00 0.00 2.00 0.00 0.00 58.73 60.81 3f1g h TYR 44 Cb -0.04 -0.04 -0.04 0.00 2.00 0.00 0.00 36.73 38.61 3f1g h TYR 44 CO 0.01 1.07 0.56 -0.44 -0.00 0.00 0.00 178.16 179.35 3f1g h ASP 45 N 0.12 1.02 -0.57 3.88 3.45 -0.85 0.18 116.42 123.66 3f1g h ASP 45 Ca -0.07 -0.04 -0.07 0.00 0.43 0.00 0.00 57.03 57.28 3f1g h ASP 45 Cb 1.62 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 40.12 3f1g h ASP 45 CO 0.15 0.76 0.07 0.00 -1.57 0.00 0.00 179.24 178.65 3f1g h ALA 46 N 1.42 0.76 -0.54 3.45 0.00 -0.80 0.78 119.26 124.33 3f1g h ALA 46 Ca 0.32 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3f1g h ALA 46 Cb -0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3f1g h ALA 46 CO -0.06 0.53 0.28 0.00 0.00 0.00 0.00 179.25 179.99 3f1g h LYS 48 N 0.74 -1.09 0.00 0.00 1.79 -0.06 -2.68 116.57 115.27 3f1g h LYS 48 Ca 0.19 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 3f1g h LYS 48 Cb 0.04 0.25 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 3f1g h LYS 48 CO -0.03 -0.73 0.28 0.82 -1.08 0.00 0.00 179.45 178.71 3f1g h ILE 49 N -1.30 0.00 0.24 1.86 1.08 -0.57 -0.85 117.51 117.97 3f1g h ILE 49 Ca -0.12 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 3f1g h ILE 49 Cb 0.87 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 35.10 3f1g h ILE 49 CO 0.19 0.00 -0.11 0.40 -0.69 0.00 0.00 178.15 177.94 3f1g h ILE 50 N 0.00 0.00 -0.91 -0.67 1.08 -0.86 -3.16 117.51 112.99 3f1g h ILE 50 Ca 0.00 -0.15 0.22 0.00 -0.39 0.00 0.00 64.86 64.53 3f1g h ILE 50 Cb 0.56 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.24 3f1g h ILE 50 CO 0.00 0.00 0.61 1.56 -0.69 0.00 0.00 178.15 179.63 3f1g h GLN 51 N -0.47 0.34 0.31 2.37 4.20 -1.06 0.21 115.11 121.01 3f1g h GLN 51 Ca -0.03 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 3f1g h GLN 51 Cb 0.24 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 3f1g h GLN 51 CO 0.05 0.22 -0.29 0.93 -0.67 0.00 0.00 178.83 179.08 3f1g h GLU 52 N 0.35 -0.60 0.17 1.46 5.08 -1.52 -3.29 114.58 116.23 3f1g h GLU 52 Ca 0.48 0.04 -0.35 0.00 -1.00 0.00 0.00 59.36 58.52 3f1g h GLU 52 Cb 1.28 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.67 3f1g h GLU 52 CO -0.16 -0.40 -1.80 0.87 -1.00 0.00 0.00 179.01 176.52 3f1g h LYS 53 N -0.62 0.36 -6.27 2.33 1.79 -1.36 -3.47 116.57 109.32 3f1g h LYS 53 Ca -0.02 -0.61 -0.67 0.00 -2.18 0.00 0.00 60.65 57.17 3f1g h LYS 53 Cb 0.56 0.23 -0.16 0.00 -1.58 0.00 0.00 32.23 31.28 3f1g h LYS 53 CO -0.04 1.28 -0.69 -0.08 -1.08 0.00 0.00 179.45 178.84 3f1g s THR 54 N -2.58 3.80 -1.60 -0.16 -1.32 0.69 -5.00 115.64 109.47 3f1g s THR 54 Ca -0.17 -0.77 0.00 0.00 -1.21 0.00 0.00 61.69 59.54 3f1g s THR 54 Cb 0.06 -2.68 0.00 0.00 -1.51 0.00 0.00 72.50 68.37 3f1g s THR 54 CO 0.84 0.35 0.74 0.61 -2.21 0.00 0.00 174.62 174.95 3f1g n GLY 55 N 1.39 -0.00 3.86 6.08 0.00 -1.26 -3.87 105.19 111.39 3f1g n GLY 55 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 3f1g n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3f1g s GLN 56 N -1.60 3.10 -0.12 1.61 -1.52 -1.26 -5.07 119.66 114.79 3f1g s GLN 56 Ca 0.00 -0.86 -0.29 0.00 -1.95 0.00 0.00 55.36 52.26 3f1g s GLN 56 Cb 0.00 -2.72 -0.01 0.00 -0.22 0.00 0.00 33.01 30.06 3f1g s GLN 56 CO 0.00 0.45 0.98 -1.83 -0.25 0.00 0.00 175.29 174.64 3f1g s GLU 57 N -3.52 4.40 0.37 2.91 1.03 -1.26 -4.10 118.70 118.53 3f1g s GLU 57 Ca 0.33 1.33 0.20 0.00 0.03 0.00 0.00 54.97 56.85 3f1g s GLU 57 Cb -0.09 -3.55 1.26 0.00 -0.80 0.00 0.00 34.13 30.94 3f1g s GLU 57 CO 0.26 -0.32 1.62 -1.00 -1.33 0.00 0.00 175.26 174.48 3f1g h PRO 58 N 7.14 0.14 -0.43 -4.83 0.13 -1.94 0.87 132.00 133.07 3f1g h PRO 58 Ca -0.30 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 64.88 3f1g h PRO 58 Cb 1.14 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 3f1g h PRO 58 CO 0.86 0.09 0.29 1.25 -0.23 0.00 0.00 178.00 180.26 3f1g h LEU 59 N 0.14 0.29 -0.02 1.56 5.85 -1.95 1.60 115.31 122.78 3f1g h LEU 59 Ca 0.80 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 59.44 3f1g h LEU 59 Cb 2.07 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 43.04 3f1g h LEU 59 CO -0.65 0.19 -0.30 0.50 -0.34 0.00 0.00 178.44 177.83 3f1g h LYS 60 N 0.33 0.24 -0.06 1.25 1.63 0.37 -1.57 116.57 118.76 3f1g h LYS 60 Ca 0.19 -0.23 0.02 0.00 -0.85 0.00 0.00 60.65 59.77 3f1g h LYS 60 Cb 0.33 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.01 3f1g h LYS 60 CO -0.04 0.92 0.05 0.28 -3.45 0.00 0.00 179.45 177.21 3f1g h VAL 61 N -0.35 0.83 0.24 2.00 2.07 -0.79 -2.30 116.25 117.96 3f1g h VAL 61 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3f1g h VAL 61 Cb 1.01 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3f1g h VAL 61 CO 0.06 0.00 -0.12 0.15 0.02 0.00 0.00 177.57 177.68 3f1g h PHE 62 N 0.00 -0.30 -0.61 1.57 3.57 0.24 -1.77 116.94 119.64 3f1g h PHE 62 Ca 0.03 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.64 3f1g h PHE 62 Cb 0.12 0.10 -0.12 0.00 2.79 0.00 0.00 35.95 38.84 3f1g h PHE 62 CO 0.00 -0.19 -0.18 0.87 -2.23 0.00 0.00 178.31 176.59 3f1g h LYS 63 N -0.88 -0.02 -0.01 1.11 6.56 -1.26 -0.93 116.57 121.14 3f1g h LYS 63 Ca -0.03 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.56 3f1g h LYS 63 Cb 0.25 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 31.91 3f1g h LYS 63 CO 0.05 -0.01 0.01 0.37 -2.06 0.00 0.00 179.45 177.81 3f1g h GLN 64 N -0.02 0.02 -0.31 3.15 5.75 -1.50 0.73 115.11 122.92 3f1g h GLN 64 Ca 0.29 -0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.84 3f1g h GLN 64 Cb 0.47 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.97 3f1g h GLN 64 CO -0.64 0.09 -0.00 0.00 -2.65 0.00 0.00 178.83 175.63 3f1g h ALA 65 N 0.92 0.28 -0.32 3.38 0.00 -0.77 -1.36 119.26 121.39 3f1g h ALA 65 Ca 0.00 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3f1g h ALA 65 Cb 0.08 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3f1g h ALA 65 CO -0.00 -0.41 -0.09 -0.24 0.00 0.00 0.00 179.25 178.51 3f1g h VAL 66 N 0.09 1.23 0.00 0.00 3.04 -0.95 -2.93 116.25 116.72 3f1g h VAL 66 Ca 0.15 -0.98 -0.05 0.00 -1.01 0.00 0.00 66.70 64.81 3f1g h VAL 66 Cb 0.20 1.08 -0.01 0.00 -2.01 0.00 0.00 31.29 30.56 3f1g h VAL 66 CO -0.26 0.33 -0.22 -0.08 -1.01 0.00 0.00 177.57 176.33 3f1g h GLU 67 N 0.50 0.00 0.00 4.17 4.57 0.23 -2.88 114.58 121.18 3f1g h GLU 67 Ca 0.10 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 58.07 3f1g h GLU 67 Cb 0.46 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 3f1g h GLU 67 CO 0.03 0.22 -1.07 -0.91 -1.18 0.00 0.00 179.01 176.10 3f1g h ASN 68 N 0.00 0.00 -2.07 1.04 4.21 -1.20 -3.32 115.58 114.24 3f1g h ASN 68 Ca -0.00 0.00 -0.77 0.00 1.21 0.00 0.00 56.30 56.74 3f1g h ASN 68 Cb 0.79 0.00 -0.28 0.00 -1.12 0.00 0.00 38.32 37.71 3f1g h ASN 68 CO 0.03 0.92 0.91 0.52 -1.29 0.00 0.00 177.43 178.52 3f1g n VAL 69 N -3.26 4.36 -3.65 2.81 0.31 -1.09 -4.81 118.33 112.99 3f1g n VAL 69 Ca -0.03 -4.94 -0.28 0.00 -0.01 0.00 0.00 64.34 59.08 3f1g n VAL 69 Cb 0.93 -1.35 -0.12 0.00 -0.91 0.00 0.00 33.84 32.39 3f1g n VAL 69 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3f1g s LYS 70 N -4.12 1.53 -0.10 5.55 2.20 -1.23 -3.96 119.74 119.61 3f1g s LYS 70 Ca 0.47 -2.49 -0.38 0.00 -0.36 0.00 0.00 55.97 53.22 3f1g s LYS 70 Cb 0.35 -2.34 -0.15 0.00 -1.51 0.00 0.00 37.83 34.18 3f1g s LYS 70 CO -0.30 -1.29 1.61 -0.35 -0.36 0.00 0.00 175.35 174.66 3f1g n PRO 71 N 2.76 1.35 0.04 4.03 -0.04 -1.26 -4.91 135.00 136.97 3f1g n PRO 71 Ca 0.20 0.49 -0.11 0.00 -0.04 0.00 0.00 63.50 64.05 3f1g n PRO 71 Cb 0.40 -2.19 0.02 0.00 -0.04 0.00 0.00 33.50 31.69 3f1g n PRO 71 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3f1g h ARG 72 N 6.47 0.44 -3.35 0.54 2.43 -1.95 -3.45 114.38 115.52 3f1g h ARG 72 Ca -0.47 -0.36 -0.08 0.00 -0.81 0.00 0.00 59.98 58.26 3f1g h ARG 72 Cb 1.31 0.08 -0.16 0.00 -0.42 0.00 0.00 29.97 30.78 3f1g h ARG 72 CO 0.89 1.00 -0.20 -1.64 -1.51 0.00 0.00 179.97 178.51 3f1g s MET 73 N -3.63 0.89 0.11 0.20 -1.94 -1.26 -3.56 119.30 110.11 3f1g s MET 73 Ca -0.06 -0.59 -0.13 0.00 -1.71 0.00 0.00 55.69 53.20 3f1g s MET 73 Cb 0.10 0.39 0.02 0.00 2.01 0.00 0.00 34.83 37.35 3f1g s MET 73 CO 0.85 -0.31 0.32 -1.83 -0.01 0.00 0.00 175.02 174.04 3f1g s GLU 74 N -3.00 0.98 -0.16 2.03 -1.05 -0.77 -4.25 118.70 112.48 3f1g s GLU 74 Ca -0.02 -0.80 -0.21 0.00 -0.15 0.00 0.00 54.97 53.80 3f1g s GLU 74 Cb 0.01 0.42 -0.03 0.00 -0.44 0.00 0.00 34.13 34.09 3f1g s GLU 74 CO -0.06 -0.36 0.62 0.14 0.95 0.00 0.00 175.26 176.54 3f1g s VAL 75 N -3.81 5.06 -0.03 1.83 -7.23 -1.26 -1.73 120.40 113.22 3f1g s VAL 75 Ca 0.04 1.19 0.05 0.00 -1.81 0.00 0.00 61.98 61.44 3f1g s VAL 75 Cb 0.03 -3.94 -0.03 0.00 0.56 0.00 0.00 36.38 33.00 3f1g s VAL 75 CO -0.12 0.18 -0.16 -0.13 -0.31 0.00 0.00 175.10 174.56 3f1g s ARG 76 N 1.47 2.40 -0.12 4.82 0.52 0.84 -4.89 118.95 124.00 3f1g s ARG 76 Ca 0.30 -0.76 -0.29 0.00 -0.52 0.00 0.00 55.73 54.45 3f1g s ARG 76 Cb -0.16 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 32.96 3f1g s ARG 76 CO 0.12 0.60 1.34 -1.12 0.02 0.00 0.00 175.30 176.26 3f1g s SER 77 N -0.86 6.90 -0.01 0.23 0.01 -1.26 -1.06 113.70 117.65 3f1g s SER 77 Ca 0.12 1.85 0.08 0.00 1.31 0.00 0.00 55.95 59.31 3f1g s SER 77 Cb -0.11 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 3f1g s SER 77 CO 0.01 -0.77 -0.25 -0.60 0.41 0.00 0.00 173.24 172.04 3f1g s ARG 78 N 3.33 2.08 -0.02 12.44 3.52 0.04 -4.95 118.95 135.39 3f1g s ARG 78 Ca 0.59 -0.95 -0.17 0.00 -0.13 0.00 0.00 55.73 55.07 3f1g s ARG 78 Cb -0.25 -2.05 -0.05 0.00 -1.56 0.00 0.00 34.95 31.04 3f1g s ARG 78 CO 0.19 0.56 0.48 1.03 -0.81 0.00 0.00 175.30 176.75 3f1g s ARG 79 N -0.72 4.15 -0.27 5.12 1.81 -1.26 -0.44 118.95 127.34 3f1g s ARG 79 Ca 0.10 0.52 -0.00 0.00 -1.72 0.00 0.00 55.73 54.63 3f1g s ARG 79 Cb -0.10 -3.31 0.16 0.00 -0.45 0.00 0.00 34.95 31.25 3f1g s ARG 79 CO -0.00 0.48 0.45 0.14 -0.68 0.00 0.00 175.30 175.69 3f1g s VAL 80 N -0.45 -0.73 -0.59 3.52 -7.23 0.60 -4.87 120.40 110.64 3f1g s VAL 80 Ca 0.26 -0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.32 3f1g s VAL 80 Cb -0.17 -0.92 0.00 0.00 0.56 0.00 0.00 36.38 35.85 3f1g s VAL 80 CO 0.14 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 3f1g n GLY 81 N 5.38 0.52 3.56 2.32 0.00 -1.26 -2.35 105.19 113.36 3f1g n GLY 81 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3f1g n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1g n GLY 82 N -1.68 2.93 3.68 -0.02 0.00 -1.26 -4.98 105.19 103.86 3f1g n GLY 82 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 3f1g n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1g s ALA 83 N -1.92 3.45 -0.18 4.61 0.00 -0.99 -5.05 121.76 121.68 3f1g s ALA 83 Ca 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 51.96 51.96 3f1g s ALA 83 Cb 0.00 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 3f1g s ALA 83 CO 0.00 -0.52 0.24 1.21 0.00 0.00 0.00 175.76 176.69 3f1g s ASN 84 N 1.08 6.34 0.24 0.00 3.84 -1.26 -0.30 114.94 124.89 3f1g s ASN 84 Ca 0.40 0.39 0.08 0.00 0.21 0.00 0.00 52.86 53.94 3f1g s ASN 84 Cb -0.17 -2.15 -0.04 0.00 -0.55 0.00 0.00 41.25 38.34 3f1g s ASN 84 CO 0.15 0.11 0.11 -0.31 -2.79 0.00 0.00 177.10 174.37 3f1g s TYR 85 N 0.55 2.95 -1.15 0.43 4.12 0.41 -4.93 117.35 119.73 3f1g s TYR 85 Ca 0.13 -0.14 -0.09 0.00 0.02 0.00 0.00 57.07 56.99 3f1g s TYR 85 Cb -0.12 -1.34 0.25 0.00 -1.52 0.00 0.00 41.96 39.22 3f1g s TYR 85 CO 0.02 0.55 1.36 1.04 0.02 0.00 0.00 175.55 178.54 3f1g n GLN 86 N -0.93 3.70 -2.27 -0.62 1.13 -1.26 -0.78 117.38 116.34 3f1g n GLN 86 Ca -0.08 -4.22 -0.42 0.00 -1.94 0.00 0.00 57.00 50.34 3f1g n GLN 86 Cb 0.58 -2.71 -0.03 0.00 0.11 0.00 0.00 30.24 28.19 3f1g n GLN 86 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3f1g s VAL 87 N -0.68 3.55 0.03 5.09 1.01 -0.22 -4.67 120.40 124.51 3f1g s VAL 87 Ca 0.35 1.14 -0.24 0.00 0.00 0.00 0.00 61.98 63.23 3f1g s VAL 87 Cb -0.03 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 3f1g s VAL 87 CO -0.01 0.10 0.72 -2.16 0.00 0.00 0.00 175.10 173.75 3f1g s PRO 88 N 0.92 4.45 0.04 2.72 0.04 -1.26 -0.11 135.00 141.79 3f1g s PRO 88 Ca 0.61 0.97 -0.03 0.00 0.04 0.00 0.00 61.00 62.60 3f1g s PRO 88 Cb -0.34 -3.36 0.01 0.00 0.04 0.00 0.00 34.50 30.85 3f1g s PRO 88 CO 0.31 0.31 0.14 0.00 0.04 0.00 0.00 177.00 177.80 3f1g n MET 89 N 2.77 0.12 -0.64 4.56 0.00 -0.70 -4.84 117.12 118.39 3f1g n MET 89 Ca -0.04 -0.26 -0.30 0.00 0.00 0.00 0.00 57.70 57.10 3f1g n MET 89 Cb 0.50 0.34 0.19 0.00 0.00 0.00 0.00 33.22 34.25 3f1g n MET 89 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 3f1g s GLU 90 N -2.01 0.59 -0.13 3.17 2.56 -1.26 -1.85 118.70 119.77 3f1g s GLU 90 Ca 0.03 1.44 -0.00 0.00 0.00 0.00 0.00 54.97 56.44 3f1g s GLU 90 Cb -0.01 -1.69 0.03 0.00 2.00 0.00 0.00 34.13 34.47 3f1g s GLU 90 CO 0.01 -2.89 -0.08 0.08 -0.56 0.00 0.00 175.26 171.82 3f1g s VAL 91 N -2.60 1.14 0.37 3.70 1.01 -1.23 -4.57 120.40 118.22 3f1g s VAL 91 Ca 0.67 -0.41 -0.27 0.00 0.00 0.00 0.00 61.98 61.97 3f1g s VAL 91 Cb -0.23 -1.16 -0.11 0.00 0.00 0.00 0.00 36.38 34.87 3f1g s VAL 91 CO 0.59 0.34 1.28 -0.24 0.00 0.00 0.00 175.10 177.07 3f1g n SER 92 N 4.90 2.66 -0.34 3.32 2.88 -1.26 -4.69 113.62 121.09 3f1g n SER 92 Ca -0.13 1.17 0.02 0.00 -1.33 0.00 0.00 58.87 58.60 3f1g n SER 92 Cb 0.50 -1.49 0.16 0.00 -0.75 0.00 0.00 64.21 62.63 3f1g n SER 92 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3f1g h PRO 93 N 2.37 1.03 0.00 -1.46 0.13 -1.98 0.16 132.00 132.24 3f1g h PRO 93 Ca -0.47 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 64.58 3f1g h PRO 93 Cb 1.29 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 3f1g h PRO 93 CO 0.61 0.68 -0.09 0.00 -0.23 0.00 0.00 178.00 178.98 3f1g h ARG 94 N 1.06 0.00 0.16 0.86 3.08 -2.00 -1.16 114.38 116.37 3f1g h ARG 94 Ca 0.41 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.17 3f1g h ARG 94 Cb 0.20 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.26 3f1g h ARG 94 CO -0.18 0.09 -1.40 -0.09 -1.07 0.00 0.00 179.97 177.32 3f1g h ARG 95 N 0.00 0.34 -0.57 0.04 2.43 -1.35 -3.17 114.38 112.10 3f1g h ARG 95 Ca -0.00 -0.58 0.10 0.00 -0.81 0.00 0.00 59.98 58.69 3f1g h ARG 95 Cb 0.17 0.21 -0.11 0.00 -0.42 0.00 0.00 29.97 29.82 3f1g h ARG 95 CO 0.01 1.28 -0.33 1.96 -1.51 0.00 0.00 179.97 181.37 3f1g h GLN 96 N -0.15 -0.16 0.00 0.20 4.20 -0.29 -0.39 115.11 118.52 3f1g h GLN 96 Ca -0.28 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.44 3f1g h GLN 96 Cb 1.88 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.70 3f1g h GLN 96 CO 0.14 -0.11 0.00 0.94 -0.67 0.00 0.00 178.83 179.13 3f1g n GLN 97 N -5.43 0.00 -0.05 1.46 -0.06 -0.48 -1.21 117.38 111.61 3f1g n GLN 97 Ca 0.04 0.95 -0.09 0.00 -2.00 0.00 0.00 57.00 55.90 3f1g n GLN 97 Cb 0.35 -1.48 -0.03 0.00 -4.06 0.00 0.00 30.24 25.02 3f1g n GLN 97 CO 0.00 0.00 0.00 0.77 -0.20 0.00 0.00 177.06 177.63 3f1g h SER 98 N 0.00 -1.01 0.19 1.69 0.02 -1.17 -0.48 113.55 112.79 3f1g h SER 98 Ca 0.00 0.16 0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3f1g h SER 98 Cb 0.00 0.45 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 3f1g h SER 98 CO 0.00 -0.33 -0.28 -0.07 -1.14 0.00 0.00 176.83 175.00 3f1g h LEU 99 N -0.32 -0.78 -0.01 5.07 3.38 -1.05 -1.91 115.31 119.68 3f1g h LEU 99 Ca 0.13 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3f1g h LEU 99 Cb 0.53 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3f1g h LEU 99 CO -0.43 -0.39 -0.06 0.00 0.09 0.00 0.00 178.44 177.65 3f1g h ALA 100 N 0.12 -0.48 -1.05 1.53 0.00 -0.35 0.18 119.26 119.21 3f1g h ALA 100 Ca 0.01 -0.01 0.33 0.00 0.00 0.00 0.00 54.91 55.25 3f1g h ALA 100 Cb 0.53 0.62 -0.14 0.00 0.00 0.00 0.00 17.79 18.80 3f1g h ALA 100 CO -0.12 -0.51 0.61 -0.07 0.00 0.00 0.00 179.25 179.17 3f1g h LEU 101 N -0.07 0.47 0.13 0.00 3.38 -1.09 0.13 115.31 118.27 3f1g h LEU 101 Ca 0.00 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3f1g h LEU 101 Cb 0.08 0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3f1g h LEU 101 CO -0.05 -0.13 -0.06 -0.09 0.09 0.00 0.00 178.44 178.20 3f1g h ARG 102 N 0.29 -0.16 0.00 1.13 2.43 -0.41 -3.19 114.38 114.46 3f1g h ARG 102 Ca 0.74 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.91 3f1g h ARG 102 Cb 1.79 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 31.37 3f1g h ARG 102 CO -0.56 0.20 -0.05 -1.49 -1.51 0.00 0.00 179.97 176.57 3f1g h TRP 103 N -0.56 0.00 0.36 2.20 6.55 0.20 0.48 115.95 125.17 3f1g h TRP 103 Ca -0.02 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.81 3f1g h TRP 103 Cb 0.44 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.74 3f1g h TRP 103 CO 0.05 0.05 -0.26 -0.07 -1.05 0.00 0.00 178.44 177.16 3f1g h LEU 104 N 0.00 -0.68 0.11 -4.49 -0.00 -1.34 0.90 115.31 109.81 3f1g h LEU 104 Ca -0.00 0.04 0.01 0.00 -0.00 0.00 0.00 57.88 57.93 3f1g h LEU 104 Cb 0.10 0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 40.94 3f1g h LEU 104 CO 0.01 -0.38 -0.35 0.58 -0.00 0.00 0.00 178.44 178.30 3f1g h VAL 105 N -0.59 0.00 -0.39 1.22 2.07 -1.18 0.49 116.25 117.87 3f1g h VAL 105 Ca -0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.51 3f1g h VAL 105 Cb 0.49 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 3f1g h VAL 105 CO 0.02 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 177.38 3f1g n GLN 106 N -4.43 -0.17 0.22 1.57 1.13 0.16 0.38 117.38 116.22 3f1g n GLN 106 Ca -0.06 0.80 0.08 0.00 -1.94 0.00 0.00 57.00 55.89 3f1g n GLN 106 Cb 0.28 -1.19 0.47 0.00 0.11 0.00 0.00 30.24 29.91 3f1g n GLN 106 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3f1g h ALA 107 N -0.02 1.12 -0.03 -1.58 0.00 -0.33 -2.58 119.26 115.84 3f1g h ALA 107 Ca 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3f1g h ALA 107 Cb 0.16 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3f1g h ALA 107 CO -0.37 0.34 -0.01 0.00 0.00 0.00 0.00 179.25 179.21 3f1g h ALA 108 N 1.73 0.04 0.00 0.00 0.00 0.48 -2.79 119.26 118.72 3f1g h ALA 108 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3f1g h ALA 108 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3f1g h ALA 108 CO 0.04 -0.24 0.00 -0.91 0.00 0.00 0.00 179.25 178.14 3f1g h ASN 109 N -0.33 0.00 1.52 0.00 2.35 -0.56 0.23 115.58 118.79 3f1g h ASN 109 Ca 0.01 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 3f1g h ASN 109 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3f1g h ASN 109 CO 0.00 0.00 -0.18 1.56 -1.65 0.00 0.00 177.43 177.16 3f1g h GLN 110 N 0.00 0.00 -7.14 0.81 1.08 -1.20 -3.46 115.11 105.20 3f1g h GLN 110 Ca 0.00 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.65 3f1g h GLN 110 Cb 0.18 0.00 0.16 0.00 -0.05 0.00 0.00 27.48 27.77 3f1g h GLN 110 CO 0.00 0.18 0.46 1.03 -0.95 0.00 0.00 178.83 179.55 3f1g s ARG 111 N -3.29 2.29 0.19 1.46 0.52 0.07 -4.95 118.95 115.23 3f1g s ARG 111 Ca 0.04 1.95 -0.01 0.00 -0.52 0.00 0.00 55.73 57.19 3f1g s ARG 111 Cb 0.07 -1.83 0.11 0.00 0.52 0.00 0.00 34.95 33.82 3f1g s ARG 111 CO 0.67 -1.77 1.48 -1.00 0.02 0.00 0.00 175.30 174.69 3f1g h PRO 112 N 0.10 0.42 -6.53 3.54 0.13 -1.89 -3.48 132.00 124.29 3f1g h PRO 112 Ca -0.49 -0.31 -0.51 0.00 -0.87 0.00 0.00 66.00 63.82 3f1g h PRO 112 Cb 1.32 0.05 0.23 0.00 0.13 0.00 0.00 31.00 32.73 3f1g h PRO 112 CO 0.51 0.93 -1.15 -0.85 -0.23 0.00 0.00 178.00 177.21 3f1g n GLU 113 N -3.88 -0.53 -0.02 0.86 0.00 -1.26 -5.01 120.64 110.80 3f1g n GLU 113 Ca -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 57.16 56.98 3f1g n GLU 113 Cb 0.66 -1.57 -0.00 0.00 0.00 0.00 0.00 31.44 30.53 3f1g n GLU 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3f1g h ARG 114 N -1.52 0.00 -6.24 3.44 3.08 -2.00 -3.46 114.38 107.68 3f1g h ARG 114 Ca -0.46 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.03 3f1g h ARG 114 Cb 1.32 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.33 3f1g h ARG 114 CO 0.32 0.00 0.71 1.03 -1.07 0.00 0.00 179.97 180.96 3f1g s ARG 115 N -1.39 4.34 0.48 0.04 1.81 -1.26 -4.90 118.95 118.07 3f1g s ARG 115 Ca -0.04 1.55 0.19 0.00 -1.72 0.00 0.00 55.73 55.71 3f1g s ARG 115 Cb 0.01 -3.60 1.21 0.00 -0.45 0.00 0.00 34.95 32.12 3f1g s ARG 115 CO 0.06 -0.47 1.99 0.00 -0.68 0.00 0.00 175.30 176.19 3f1g h ALA 116 N 7.47 2.24 -0.78 2.13 0.00 -2.00 -1.32 119.26 127.00 3f1g h ALA 116 Ca -0.30 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 3f1g h ALA 116 Cb 1.13 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 3f1g h ALA 116 CO 0.90 -0.38 0.49 0.00 0.00 0.00 0.00 179.25 180.26 3f1g h ALA 117 N 1.73 1.38 0.00 0.00 0.00 -1.91 0.10 119.26 120.57 3f1g h ALA 117 Ca 0.26 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3f1g h ALA 117 Cb 0.74 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3f1g h ALA 117 CO -0.04 0.54 -0.33 -0.39 0.00 0.00 0.00 179.25 179.03 3f1g h VAL 118 N 1.07 1.14 0.12 0.00 -1.51 -1.59 -1.55 116.25 113.93 3f1g h VAL 118 Ca 0.28 -1.15 -0.01 0.00 -1.23 0.00 0.00 66.70 64.59 3f1g h VAL 118 Cb -0.07 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 3f1g h VAL 118 CO -0.06 0.32 -0.06 0.03 -1.23 0.00 0.00 177.57 176.58 3f1g h ARG 119 N 0.00 -0.16 -0.24 5.19 3.08 -1.12 -1.48 114.38 119.65 3f1g h ARG 119 Ca -0.00 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.13 3f1g h ARG 119 Cb 0.61 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 3f1g h ARG 119 CO 0.04 0.26 0.20 0.82 -1.07 0.00 0.00 179.97 180.22 3f1g h ILE 120 N -0.94 0.72 0.57 2.04 2.04 -1.04 0.90 117.51 121.81 3f1g h ILE 120 Ca -0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 3f1g h ILE 120 Cb 0.49 0.86 0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3f1g h ILE 120 CO 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 178.15 177.90 3f1g h ALA 121 N 1.84 -0.78 -0.26 1.87 0.00 -1.29 -2.59 119.26 118.05 3f1g h ALA 121 Ca 0.11 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3f1g h ALA 121 Cb 0.50 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3f1g h ALA 121 CO -0.00 -0.72 -0.02 0.45 0.00 0.00 0.00 179.25 178.96 3f1g h HIS 122 N -1.19 -0.05 0.19 0.00 3.86 -0.03 -1.17 115.15 116.76 3f1g h HIS 122 Ca -0.08 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 3f1g h HIS 122 Cb 0.59 0.06 -0.03 0.00 1.06 0.00 0.00 27.41 29.09 3f1g h HIS 122 CO 0.00 -0.07 -0.42 1.49 0.86 0.00 0.00 177.93 179.79 3f1g h GLU 123 N 0.05 -0.64 -1.30 2.45 4.57 0.64 0.26 114.58 120.61 3f1g h GLU 123 Ca 0.13 0.04 0.38 0.00 -1.18 0.00 0.00 59.36 58.73 3f1g h GLU 123 Cb 0.17 0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 28.84 3f1g h GLU 123 CO -0.23 -0.43 0.91 -0.07 -1.18 0.00 0.00 179.01 178.01 3f1g h LEU 124 N -0.67 0.12 0.37 1.64 3.38 -1.10 0.70 115.31 119.76 3f1g h LEU 124 Ca -0.02 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3f1g h LEU 124 Cb 0.64 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3f1g h LEU 124 CO -0.18 -0.01 -0.18 0.24 0.09 0.00 0.00 178.44 178.40 3f1g h MET 125 N 0.09 -0.48 0.00 1.13 2.86 0.38 -2.68 114.93 116.22 3f1g h MET 125 Ca 0.67 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.34 3f1g h MET 125 Cb 2.40 0.11 0.00 0.00 0.06 0.00 0.00 31.60 34.17 3f1g h MET 125 CO -0.13 -0.32 0.15 -0.44 1.06 0.00 0.00 176.91 177.23 3f1g h ASP 126 N -0.95 0.00 0.00 1.22 3.45 0.12 0.20 116.42 120.46 3f1g h ASP 126 Ca -0.05 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.37 3f1g h ASP 126 Cb 0.38 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.15 3f1g h ASP 126 CO 0.08 0.00 -0.40 0.00 -1.57 0.00 0.00 179.24 177.36 3f1g h ALA 127 N 1.62 0.04 -0.59 3.45 0.00 -0.97 0.70 119.26 123.50 3f1g h ALA 127 Ca 0.00 -0.45 0.17 0.00 0.00 0.00 0.00 54.91 54.63 3f1g h ALA 127 Cb 0.30 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3f1g h ALA 127 CO 0.00 0.31 0.42 0.00 0.00 0.00 0.00 179.25 179.99 3f1g h ALA 128 N -0.81 2.51 0.12 0.00 0.00 -1.02 0.12 119.26 120.19 3f1g h ALA 128 Ca -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3f1g h ALA 128 Cb 0.52 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3f1g h ALA 128 CO -0.03 -0.67 -0.06 1.49 0.00 0.00 0.00 179.25 179.98 3f1g h GLU 129 N 0.04 -0.16 0.00 0.00 4.22 -0.73 -3.45 114.58 114.50 3f1g h GLU 129 Ca 0.28 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.73 3f1g h GLU 129 Cb 1.08 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3f1g h GLU 129 CO -0.01 0.31 0.00 0.41 -2.18 0.00 0.00 179.01 177.54 3f1g n GLY 130 N 0.79 3.88 0.45 1.92 0.00 0.14 -4.97 105.19 107.39 3f1g n GLY 130 Ca -0.07 -0.91 0.26 0.00 0.00 0.00 0.00 46.02 45.29 3f1g n GLY 130 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3f1g h LYS 131 N 0.00 0.00 -6.62 1.61 3.64 -1.52 -3.45 116.57 110.23 3f1g h LYS 131 Ca 0.00 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.80 3f1g h LYS 131 Cb 0.00 0.00 0.16 0.00 -0.41 0.00 0.00 32.23 31.98 3f1g h LYS 131 CO 0.00 0.00 -0.08 0.41 -2.27 0.00 0.00 179.45 177.51 3f1g n GLY 132 N -1.61 -0.79 0.22 5.01 0.00 0.20 -4.84 105.19 103.37 3f1g n GLY 132 Ca 0.15 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.21 3f1g n GLY 132 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3f1g h GLY 133 N 0.73 0.00 1.16 -0.02 0.00 -1.88 -2.02 103.07 101.03 3f1g h GLY 133 Ca -0.46 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.89 3f1g h GLY 133 CO 0.51 0.00 0.54 0.00 0.00 0.00 0.00 176.54 177.60 3f1g h ALA 134 N 1.77 1.44 -0.10 3.60 0.00 -1.88 -2.84 119.26 121.25 3f1g h ALA 134 Ca -0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 3f1g h ALA 134 Cb 0.73 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.21 3f1g h ALA 134 CO 0.03 0.51 -0.82 0.28 0.00 0.00 0.00 179.25 179.24 3f1g h VAL 135 N 1.08 1.31 -0.18 0.00 2.07 -1.67 -2.90 116.25 115.96 3f1g h VAL 135 Ca 0.31 -2.08 0.05 0.00 0.82 0.00 0.00 66.70 65.80 3f1g h VAL 135 Cb -0.08 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3f1g h VAL 135 CO -0.07 0.65 0.22 0.11 0.02 0.00 0.00 177.57 178.50 3f1g h LYS 136 N 0.45 0.00 0.11 1.57 1.57 -1.26 1.72 116.57 120.72 3f1g h LYS 136 Ca -0.06 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.50 3f1g h LYS 136 Cb 1.44 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.78 3f1g h LYS 136 CO 0.16 0.00 -0.94 0.87 -0.57 0.00 0.00 179.45 178.97 3f1g h LYS 137 N 0.00 0.44 -0.07 3.15 1.57 -1.35 -2.12 116.57 118.19 3f1g h LYS 137 Ca 0.09 -0.62 -0.13 0.00 -1.87 0.00 0.00 60.65 58.11 3f1g h LYS 137 Cb 0.53 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 3f1g h LYS 137 CO -0.00 1.27 -0.55 -0.22 -0.57 0.00 0.00 179.45 179.37 3f1g h LYS 138 N -0.08 0.20 -0.79 3.15 3.64 -0.57 -2.09 116.57 120.03 3f1g h LYS 138 Ca -0.15 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.08 3f1g h LYS 138 Cb 1.68 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.48 3f1g h LYS 138 CO 0.18 0.70 0.37 0.93 -2.27 0.00 0.00 179.45 179.35 3f1g h GLU 139 N 0.15 1.13 -0.02 1.90 5.08 0.24 -2.85 114.58 120.22 3f1g h GLU 139 Ca -0.00 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3f1g h GLU 139 Cb 1.02 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 3f1g h GLU 139 CO 0.08 0.88 -0.00 0.22 -1.00 0.00 0.00 179.01 179.19 3f1g h ASP 140 N 1.12 0.03 -0.76 1.42 3.58 -1.15 -2.78 116.42 117.88 3f1g h ASP 140 Ca 0.27 -0.37 0.12 0.00 0.42 0.00 0.00 57.03 57.47 3f1g h ASP 140 Cb 0.13 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.12 3f1g h ASP 140 CO -0.03 0.40 0.50 0.58 -2.88 0.00 0.00 179.24 177.81 3f1g h VAL 141 N -0.33 0.86 -0.11 2.25 2.07 -1.31 0.20 116.25 119.88 3f1g h VAL 141 Ca 0.00 -0.19 -0.16 0.00 0.82 0.00 0.00 66.70 67.17 3f1g h VAL 141 Cb 0.39 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3f1g h VAL 141 CO 0.00 0.10 -0.63 -0.33 0.02 0.00 0.00 177.57 176.73 3f1g h GLU 142 N 0.55 0.40 0.38 1.57 5.08 -1.46 -2.88 114.58 118.21 3f1g h GLU 142 Ca 0.36 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3f1g h GLU 142 Cb 0.65 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3f1g h GLU 142 CO -0.13 0.90 -0.18 0.00 -1.00 0.00 0.00 179.01 178.60 3f1g h ARG 143 N 0.29 -0.49 -1.05 2.33 3.08 -0.71 -1.24 114.38 116.60 3f1g h ARG 143 Ca -0.01 0.03 0.27 0.00 0.07 0.00 0.00 59.98 60.34 3f1g h ARG 143 Cb 1.17 0.11 -0.10 0.00 0.08 0.00 0.00 29.97 31.23 3f1g h ARG 143 CO 0.11 -0.31 0.67 0.52 -1.07 0.00 0.00 179.97 179.89 3f1g h MET 144 N -0.53 0.37 0.13 0.04 2.86 -1.28 0.27 114.93 116.79 3f1g h MET 144 Ca -0.05 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3f1g h MET 144 Cb 0.40 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.98 3f1g h MET 144 CO 0.08 0.25 -0.06 0.00 1.06 0.00 0.00 176.91 178.24 3f1g h ALA 145 N 1.62 -0.18 -1.00 6.32 0.00 -1.24 -2.77 119.26 122.01 3f1g h ALA 145 Ca 0.60 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 55.39 3f1g h ALA 145 Cb 1.54 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 19.31 3f1g h ALA 145 CO -0.30 -0.31 0.63 0.93 0.00 0.00 0.00 179.25 180.21 3f1g h GLU 146 N -0.76 0.97 0.07 0.00 4.39 0.11 -2.28 114.58 117.07 3f1g h GLU 146 Ca -0.02 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 3f1g h GLU 146 Cb 0.54 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 3f1g h GLU 146 CO 0.03 0.64 -0.07 0.00 -1.16 0.00 0.00 179.01 178.45 3f1g h ALA 147 N 1.54 -0.81 0.00 3.43 0.00 -0.57 -2.56 119.26 120.29 3f1g h ALA 147 Ca 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3f1g h ALA 147 Cb 0.48 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3f1g h ALA 147 CO -0.26 -0.81 0.00 0.09 0.00 0.00 0.00 179.25 178.26 3f1g n ASN 148 N -2.68 1.31 0.17 0.00 4.13 -1.05 -4.02 115.26 113.12 3f1g n ASN 148 Ca -0.02 -1.40 0.12 0.00 1.68 0.00 0.00 54.58 54.96 3f1g n ASN 148 Cb 0.06 -0.35 0.62 0.00 -1.54 0.00 0.00 39.78 38.57 3f1g n ASN 148 CO 0.00 0.00 0.00 -0.09 0.28 0.00 0.00 177.26 177.45 3f1g h ARG 149 N 0.43 0.00 -0.50 3.52 2.43 -0.98 -2.85 114.38 116.43 3f1g h ARG 149 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3f1g h ARG 149 Cb 0.50 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 3f1g h ARG 149 CO 0.00 0.00 0.25 0.00 -1.51 0.00 0.00 179.97 178.71 3f1g h ALA 150 N 2.02 0.64 0.00 2.80 0.00 -1.84 -2.86 119.26 120.02 3f1g h ALA 150 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3f1g h ALA 150 Cb 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3f1g h ALA 150 CO 0.00 0.20 0.00 0.66 0.00 0.00 0.00 179.25 180.11 3f1g n TYR 151 N -4.62 0.00 0.48 0.00 4.01 -1.08 -4.17 117.16 111.79 3f1g n TYR 151 Ca 0.02 -0.24 0.11 0.00 -0.16 0.00 0.00 57.90 57.63 3f1g n TYR 151 Cb 0.11 -0.17 0.45 0.00 -0.31 0.00 0.00 39.34 39.42 3f1g n TYR 151 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3f1g n ALA 152 N 0.31 1.78 0.19 -0.72 0.00 -1.08 -2.96 120.51 118.03 3f1g n ALA 152 Ca 0.00 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.60 3f1g n ALA 152 Cb 0.35 -1.37 0.71 0.00 0.00 0.00 0.00 19.45 19.14 3f1g n ALA 152 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3f1g h HIS 153 N 0.00 0.00 -0.52 0.00 -0.00 -1.87 -0.50 115.15 112.26 3f1g h HIS 153 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 60.05 3f1g h HIS 153 Cb 0.40 0.00 -0.15 0.00 -0.00 0.00 0.00 27.41 27.65 3f1g h HIS 153 CO 0.00 0.00 0.41 0.66 -0.00 0.00 0.00 177.93 179.00 3f1g n TYR 154 N -4.31 1.65 -0.24 6.12 4.02 -1.16 -4.66 117.16 118.58 3f1g n TYR 154 Ca 0.01 -1.71 0.13 0.00 -0.01 0.00 0.00 57.90 56.31 3f1g n TYR 154 Cb 0.25 -0.84 0.41 0.00 -0.02 0.00 0.00 39.34 39.14 3f1g n TYR 154 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3f1g h ARG 155 N 1.12 0.60 0.00 -0.72 3.08 -1.33 -3.50 114.38 113.63 3f1g h ARG 155 Ca 0.32 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3f1g h ARG 155 Cb 1.33 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3f1g h ARG 155 CO 0.73 0.40 0.00 -2.67 -1.07 0.00 0.00 179.97 177.35