#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf3 n ARG 22 N 0.00 -3.51 -0.82 3.52 1.74 -1.26 -4.72 116.66 111.61 3cf3 n ARG 22 Ca 0.00 2.69 -0.11 0.00 -0.77 0.00 0.00 57.85 59.66 3cf3 n ARG 22 Cb 0.00 -3.03 -0.01 0.00 -1.02 0.00 0.00 32.46 28.40 3cf3 n ARG 22 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3cf3 n PRO 23 N 1.22 1.59 0.00 5.56 -0.04 -1.26 -3.06 135.00 139.00 3cf3 n PRO 23 Ca 0.00 -1.00 0.00 0.00 -0.04 0.00 0.00 63.50 62.46 3cf3 n PRO 23 Cb 0.00 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 3cf3 n PRO 23 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3cf3 n ASN 24 N 1.05 0.17 -4.24 3.54 6.94 -1.26 -4.80 115.26 116.66 3cf3 n ASN 24 Ca 0.22 -1.00 -0.42 0.00 -0.02 0.00 0.00 54.58 53.36 3cf3 n ASN 24 Cb 0.58 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.92 3cf3 n ASN 24 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3cf3 s ARG 25 N -0.00 2.59 0.51 -3.83 3.52 -1.17 -1.77 118.95 118.79 3cf3 s ARG 25 Ca 0.00 -1.68 0.06 0.00 -0.13 0.00 0.00 55.73 53.98 3cf3 s ARG 25 Cb 0.00 -3.95 0.02 0.00 -1.56 0.00 0.00 34.95 29.46 3cf3 s ARG 25 CO 0.00 -1.16 0.41 -0.51 -0.81 0.00 0.00 175.30 173.23 3cf3 s LEU 26 N 1.41 2.90 -0.23 -0.88 1.43 -1.07 -4.92 118.68 117.32 3cf3 s LEU 26 Ca 0.05 -1.11 -0.04 0.00 -1.03 0.00 0.00 54.13 52.00 3cf3 s LEU 26 Cb -0.26 -1.41 -0.00 0.00 0.03 0.00 0.00 46.19 44.55 3cf3 s LEU 26 CO 0.01 -0.99 -0.03 -0.63 0.23 0.00 0.00 176.35 174.94 3cf3 s ILE 27 N -2.69 3.36 -0.14 -0.59 -1.09 -1.09 -2.61 121.20 116.35 3cf3 s ILE 27 Ca 0.39 -0.60 -0.29 0.00 -2.23 0.00 0.00 60.65 57.92 3cf3 s ILE 27 Cb -0.02 -2.58 -0.04 0.00 -1.58 0.00 0.00 42.46 38.24 3cf3 s ILE 27 CO 0.24 0.35 1.59 0.54 -1.23 0.00 0.00 174.94 176.43 3cf3 s VAL 28 N 1.46 3.72 0.32 2.92 0.11 -1.05 -1.33 120.40 126.55 3cf3 s VAL 28 Ca 0.05 0.85 0.10 0.00 -2.93 0.00 0.00 61.98 60.04 3cf3 s VAL 28 Cb -0.15 -3.63 -0.06 0.00 -1.53 0.00 0.00 36.38 31.01 3cf3 s VAL 28 CO -0.03 -0.17 -0.12 -0.62 -3.33 0.00 0.00 175.10 170.83 3cf3 s ASP 29 N 3.59 3.57 1.10 3.54 2.15 -0.97 0.36 116.67 130.01 3cf3 s ASP 29 Ca 0.70 -1.15 -0.19 0.00 0.43 0.00 0.00 52.55 52.34 3cf3 s ASP 29 Cb -0.28 -0.31 0.09 0.00 -0.30 0.00 0.00 42.92 42.12 3cf3 s ASP 29 CO 0.27 -0.15 -0.08 -0.62 -0.17 0.00 0.00 175.17 174.42 3cf3 n GLU 30 N -0.72 -1.65 -4.24 4.34 1.02 -1.26 -2.89 120.64 115.24 3cf3 n GLU 30 Ca -0.05 -0.47 -0.23 0.00 -0.02 0.00 0.00 57.16 56.39 3cf3 n GLU 30 Cb 0.62 -1.60 -0.07 0.00 -0.02 0.00 0.00 31.44 30.38 3cf3 n GLU 30 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cf3 s ALA 31 N -2.18 3.27 -0.11 0.62 0.00 -1.26 -3.85 121.76 118.25 3cf3 s ALA 31 Ca 0.51 -1.63 0.13 0.00 0.00 0.00 0.00 51.96 50.96 3cf3 s ALA 31 Cb -0.08 -0.86 -0.18 0.00 0.00 0.00 0.00 23.12 21.99 3cf3 s ALA 31 CO 0.60 0.24 0.11 -0.89 0.00 0.00 0.00 175.76 175.82 3cf3 n ILE 32 N -0.97 0.74 -3.58 0.00 2.08 -1.26 -4.79 119.36 111.57 3cf3 n ILE 32 Ca -0.06 -0.53 -0.40 0.00 0.56 0.00 0.00 62.75 62.31 3cf3 n ILE 32 Cb 0.59 -0.46 -0.09 0.00 -0.75 0.00 0.00 39.64 38.92 3cf3 n ILE 32 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3cf3 s ASN 33 N -4.48 5.67 0.37 4.38 3.84 -1.26 -4.96 114.94 118.49 3cf3 s ASN 33 Ca -0.07 -1.66 0.25 0.00 0.21 0.00 0.00 52.86 51.59 3cf3 s ASN 33 Cb 0.05 -2.00 1.36 0.00 -0.55 0.00 0.00 41.25 40.11 3cf3 s ASN 33 CO 0.58 -0.60 1.77 1.05 -2.79 0.00 0.00 177.10 177.10 3cf3 h GLU 34 N 8.42 0.00 -6.36 0.43 9.09 -1.95 -3.42 114.58 120.80 3cf3 h GLU 34 Ca -0.22 0.00 -0.65 0.00 0.05 0.00 0.00 59.36 58.54 3cf3 h GLU 34 Cb 1.08 0.00 0.07 0.00 -1.65 0.00 0.00 28.75 28.25 3cf3 h GLU 34 CO 0.80 0.00 0.41 -3.47 0.05 0.00 0.00 179.01 176.79 3cf3 n ASP 35 N -2.38 1.74 -0.26 3.06 -0.08 -1.26 -4.82 116.55 112.54 3cf3 n ASP 35 Ca -0.02 1.13 0.14 0.00 -1.51 0.00 0.00 54.79 54.53 3cf3 n ASP 35 Cb 0.04 -1.25 0.41 0.00 2.34 0.00 0.00 41.12 42.66 3cf3 n ASP 35 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 3cf3 h ASN 36 N 4.03 0.59 -1.63 1.67 2.35 -1.94 -2.90 115.58 117.75 3cf3 h ASN 36 Ca -0.45 0.04 -0.69 0.00 -0.55 0.00 0.00 56.30 54.66 3cf3 h ASN 36 Cb 1.33 -0.07 -0.33 0.00 0.05 0.00 0.00 38.32 39.30 3cf3 h ASN 36 CO 0.74 0.28 0.38 -1.20 -1.65 0.00 0.00 177.43 175.98 3cf3 n SER 37 N -4.56 6.54 -3.82 5.81 7.64 -1.26 -4.53 113.62 119.43 3cf3 n SER 37 Ca 0.18 -3.79 -0.13 0.00 1.01 0.00 0.00 58.87 56.14 3cf3 n SER 37 Cb 0.53 -0.82 -0.14 0.00 -1.01 0.00 0.00 64.21 62.77 3cf3 n SER 37 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3cf3 s VAL 38 N -5.14 -0.02 -0.30 0.44 0.11 -1.10 -2.31 120.40 112.08 3cf3 s VAL 38 Ca 0.52 0.06 -0.02 0.00 -2.93 0.00 0.00 61.98 59.62 3cf3 s VAL 38 Cb 0.44 -0.12 0.10 0.00 -1.53 0.00 0.00 36.38 35.27 3cf3 s VAL 38 CO -0.26 0.03 0.10 0.68 -3.33 0.00 0.00 175.10 172.32 3cf3 s VAL 39 N 0.37 0.66 0.20 2.04 -7.23 -0.95 -4.49 120.40 111.01 3cf3 s VAL 39 Ca -0.03 -1.24 -0.30 0.00 -1.81 0.00 0.00 61.98 58.60 3cf3 s VAL 39 Cb -0.04 -1.50 -0.08 0.00 0.56 0.00 0.00 36.38 35.32 3cf3 s VAL 39 CO -0.01 -0.68 1.03 -0.44 -0.31 0.00 0.00 175.10 174.69 3cf3 s SER 40 N 1.73 7.41 0.08 4.85 0.01 -1.07 -3.32 113.70 123.40 3cf3 s SER 40 Ca 0.09 2.03 0.04 0.00 1.31 0.00 0.00 55.95 59.43 3cf3 s SER 40 Cb -0.17 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.42 3cf3 s SER 40 CO -0.28 -0.07 -0.11 -0.76 0.41 0.00 0.00 173.24 172.43 3cf3 s LEU 41 N -0.74 2.34 0.83 2.44 1.43 -0.36 -1.75 118.68 122.87 3cf3 s LEU 41 Ca 0.46 -0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 3cf3 s LEU 41 Cb -0.28 -0.34 0.10 0.00 0.03 0.00 0.00 46.19 45.70 3cf3 s LEU 41 CO 0.34 -0.19 1.17 -0.94 0.23 0.00 0.00 176.35 176.96 3cf3 s SER 42 N -2.07 3.53 0.22 2.29 1.04 -1.24 -0.27 113.70 117.19 3cf3 s SER 42 Ca 0.00 2.23 -0.06 0.00 0.48 0.00 0.00 55.95 58.60 3cf3 s SER 42 Cb -0.06 -2.57 0.19 0.00 0.10 0.00 0.00 66.02 63.68 3cf3 s SER 42 CO 0.01 -2.70 1.75 -0.61 0.98 0.00 0.00 173.24 172.66 3cf3 h GLN 43 N -1.21 1.06 0.00 4.02 5.75 -1.91 -2.82 115.11 120.00 3cf3 h GLN 43 Ca -0.45 -0.25 -0.03 0.00 -0.15 0.00 0.00 58.65 57.78 3cf3 h GLN 43 Cb 1.28 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 29.68 3cf3 h GLN 43 CO 0.45 0.94 -0.12 -1.00 -2.65 0.00 0.00 178.83 176.45 3cf3 h PRO 44 N 1.01 0.00 0.08 -2.39 0.13 -1.95 -3.08 132.00 125.80 3cf3 h PRO 44 Ca 0.21 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 65.07 3cf3 h PRO 44 Cb 0.36 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.50 3cf3 h PRO 44 CO 0.00 0.12 -1.14 -0.22 -0.23 0.00 0.00 178.00 176.53 3cf3 h LYS 45 N 0.00 0.46 0.00 0.86 1.63 -1.87 -3.24 116.57 114.41 3cf3 h LYS 45 Ca -0.00 -0.61 0.00 0.00 -0.85 0.00 0.00 60.65 59.19 3cf3 h LYS 45 Cb 0.59 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 3cf3 h LYS 45 CO 0.02 1.25 0.00 -1.33 -3.45 0.00 0.00 179.45 175.93 3cf3 n MET 46 N -3.71 0.15 0.08 1.90 2.81 -1.11 -2.15 117.12 115.08 3cf3 n MET 46 Ca -0.10 0.39 0.06 0.00 -1.81 0.00 0.00 57.70 56.24 3cf3 n MET 46 Cb 0.94 -1.79 -0.03 0.00 -0.71 0.00 0.00 33.22 31.63 3cf3 n MET 46 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3cf3 h ASP 47 N 0.00 0.00 1.45 7.83 3.32 -1.58 0.87 116.42 128.31 3cf3 h ASP 47 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3cf3 h ASP 47 Cb 0.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3cf3 h ASP 47 CO 0.00 0.28 -0.56 -0.08 -1.72 0.00 0.00 179.24 177.16 3cf3 h GLU 48 N 0.00 0.00 -0.00 3.56 4.81 -1.50 -3.26 114.58 118.19 3cf3 h GLU 48 Ca -0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3cf3 h GLU 48 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 3cf3 h GLU 48 CO 0.02 0.17 -0.64 1.28 -0.73 0.00 0.00 179.01 179.12 3cf3 n LEU 49 N -3.01 0.88 -3.10 1.64 4.32 -1.11 -5.03 117.00 111.59 3cf3 n LEU 49 Ca 0.01 -0.55 -0.12 0.00 -0.02 0.00 0.00 56.01 55.33 3cf3 n LEU 49 Cb 0.63 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.49 3cf3 n LEU 49 CO 0.38 0.20 0.07 0.00 -1.22 0.00 0.00 177.39 176.83 3cf3 n GLN 50 N -1.12 -1.96 -4.71 3.23 6.02 -0.58 -4.91 117.38 113.35 3cf3 n GLN 50 Ca 0.04 0.91 -0.23 0.00 -0.01 0.00 0.00 57.00 57.70 3cf3 n GLN 50 Cb 0.25 -5.53 -0.15 0.00 1.02 0.00 0.00 30.24 25.83 3cf3 n GLN 50 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3cf3 s LEU 51 N -5.02 2.02 0.00 1.08 1.43 0.19 -5.03 118.68 113.37 3cf3 s LEU 51 Ca 0.36 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 3cf3 s LEU 51 Cb -0.05 -0.79 0.00 0.00 0.03 0.00 0.00 46.19 45.39 3cf3 s LEU 51 CO 0.69 0.18 0.00 0.49 0.23 0.00 0.00 176.35 177.95 3cf3 n PHE 52 N 2.73 -0.66 0.97 0.29 3.01 -1.26 -4.70 117.46 117.83 3cf3 n PHE 52 Ca -0.15 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.36 3cf3 n PHE 52 Cb 0.55 0.00 0.24 0.00 -0.01 0.00 0.00 39.48 40.26 3cf3 n PHE 52 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3cf3 n ARG 53 N -0.20 0.48 0.00 -1.08 5.12 -1.26 -3.79 116.66 115.94 3cf3 n ARG 53 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3cf3 n ARG 53 Cb 0.00 -1.26 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 3cf3 n ARG 53 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3cf3 n GLY 54 N -0.02 1.00 3.46 -0.13 0.00 -1.26 -4.88 105.19 103.35 3cf3 n GLY 54 Ca 0.06 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.50 3cf3 n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cf3 n ASP 55 N 0.00 1.44 -4.67 1.61 8.00 -1.25 -4.61 116.55 117.08 3cf3 n ASP 55 Ca 0.00 0.76 -0.42 0.00 0.71 0.00 0.00 54.79 55.84 3cf3 n ASP 55 Cb 0.16 -1.03 -0.03 0.00 -0.02 0.00 0.00 41.12 40.20 3cf3 n ASP 55 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3cf3 s THR 56 N 5.43 3.46 0.16 -3.53 -4.23 -1.26 -3.09 115.64 112.58 3cf3 s THR 56 Ca 1.11 0.66 0.03 0.00 -1.18 0.00 0.00 61.69 62.32 3cf3 s THR 56 Cb -1.27 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 69.11 3cf3 s THR 56 CO 0.64 -0.04 0.24 0.68 -0.54 0.00 0.00 174.62 175.61 3cf3 s VAL 57 N 3.63 5.07 -0.30 2.29 -7.23 0.43 -1.34 120.40 122.95 3cf3 s VAL 57 Ca 0.73 -0.82 -0.00 0.00 -1.81 0.00 0.00 61.98 60.08 3cf3 s VAL 57 Cb -0.35 -3.62 0.06 0.00 0.56 0.00 0.00 36.38 33.04 3cf3 s VAL 57 CO 0.30 -0.11 -0.01 -0.22 -0.31 0.00 0.00 175.10 174.75 3cf3 s LEU 58 N -3.24 3.94 0.15 1.32 2.96 0.18 -1.67 118.68 122.32 3cf3 s LEU 58 Ca 0.33 -1.44 -0.03 0.00 -0.22 0.00 0.00 54.13 52.78 3cf3 s LEU 58 Cb -0.11 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.87 3cf3 s LEU 58 CO 0.27 -0.27 0.36 -0.76 -1.32 0.00 0.00 176.35 174.63 3cf3 s LEU 59 N 1.17 4.27 -0.12 -0.68 1.43 0.37 -2.83 118.68 122.28 3cf3 s LEU 59 Ca -0.04 0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 53.47 3cf3 s LEU 59 Cb -0.20 -3.21 0.05 0.00 0.03 0.00 0.00 46.19 42.86 3cf3 s LEU 59 CO -0.03 0.04 0.30 -0.54 0.23 0.00 0.00 176.35 176.34 3cf3 s LYS 60 N -2.87 0.27 0.00 1.70 1.02 -1.14 -1.79 119.74 116.93 3cf3 s LYS 60 Ca 0.39 0.60 0.00 0.00 0.02 0.00 0.00 55.97 56.98 3cf3 s LYS 60 Cb -0.12 -0.08 0.00 0.00 -0.52 0.00 0.00 37.83 37.11 3cf3 s LYS 60 CO 0.27 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.95 3cf3 n GLY 61 N 4.18 7.23 0.00 -3.33 0.00 -0.47 -1.18 105.19 111.62 3cf3 n GLY 61 Ca -0.24 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.82 3cf3 n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cf3 n LYS 62 N 0.00 1.93 -1.10 1.61 5.02 -1.26 -3.61 118.16 120.74 3cf3 n LYS 62 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3cf3 n LYS 62 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3cf3 n LYS 62 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3cf3 n LYS 63 N 0.00 -1.55 -3.82 1.97 5.02 -1.26 -2.05 118.16 116.47 3cf3 n LYS 63 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 3cf3 n LYS 63 Cb 0.00 -1.55 0.01 0.00 -0.02 0.00 0.00 35.03 33.47 3cf3 n LYS 63 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3cf3 n ARG 64 N -0.82 -0.64 -4.20 1.97 3.00 -1.24 -4.97 116.66 109.77 3cf3 n ARG 64 Ca 0.00 0.09 -0.14 0.00 -0.00 0.00 0.00 57.85 57.80 3cf3 n ARG 64 Cb 0.16 -1.51 -0.10 0.00 0.00 0.00 0.00 32.46 31.00 3cf3 n ARG 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3cf3 s ARG 65 N -5.99 0.92 0.48 -0.14 0.52 -0.87 -5.00 118.95 108.87 3cf3 s ARG 65 Ca 0.25 -1.28 0.02 0.00 -0.52 0.00 0.00 55.73 54.19 3cf3 s ARG 65 Cb -0.14 -0.51 -0.01 0.00 0.52 0.00 0.00 34.95 34.81 3cf3 s ARG 65 CO 0.69 0.06 0.06 0.39 0.02 0.00 0.00 175.30 176.52 3cf3 n GLU 66 N 0.21 0.67 -3.58 3.54 1.02 -1.26 -1.37 120.64 119.87 3cf3 n GLU 66 Ca -0.13 -3.69 -0.07 0.00 -0.02 0.00 0.00 57.16 53.24 3cf3 n GLU 66 Cb 0.59 1.41 -0.04 0.00 -0.02 0.00 0.00 31.44 33.39 3cf3 n GLU 66 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cf3 s ALA 67 N -3.00 -1.97 -0.08 0.62 0.00 -0.74 -4.74 121.76 111.85 3cf3 s ALA 67 Ca 0.09 1.52 0.04 0.00 0.00 0.00 0.00 51.96 53.61 3cf3 s ALA 67 Cb 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 3cf3 s ALA 67 CO 0.06 -0.44 -0.21 0.08 0.00 0.00 0.00 175.76 175.25 3cf3 s VAL 68 N -1.82 2.38 0.20 0.00 1.01 -1.26 -0.48 120.40 120.42 3cf3 s VAL 68 Ca 0.04 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.11 3cf3 s VAL 68 Cb -0.01 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 3cf3 s VAL 68 CO -0.03 0.56 0.19 0.00 0.00 0.00 0.00 175.10 175.82 3cf3 s ILE 70 N -2.76 2.97 0.31 0.00 -1.09 -0.98 -0.43 121.20 119.22 3cf3 s ILE 70 Ca 0.22 -0.65 -0.25 0.00 -2.23 0.00 0.00 60.65 57.74 3cf3 s ILE 70 Cb 0.01 -2.30 -0.10 0.00 -1.58 0.00 0.00 42.46 38.49 3cf3 s ILE 70 CO 0.16 0.48 0.91 0.54 -1.23 0.00 0.00 174.94 175.80 3cf3 s VAL 71 N 1.10 4.26 0.29 2.92 0.11 -1.18 -2.23 120.40 125.66 3cf3 s VAL 71 Ca 0.00 1.76 0.04 0.00 -2.93 0.00 0.00 61.98 60.86 3cf3 s VAL 71 Cb -0.14 -4.00 -0.03 0.00 -1.53 0.00 0.00 36.38 30.67 3cf3 s VAL 71 CO -0.03 0.16 0.21 -0.76 -3.33 0.00 0.00 175.10 171.36 3cf3 s LEU 72 N -2.01 1.55 -0.16 2.54 1.43 -1.21 -4.16 118.68 116.66 3cf3 s LEU 72 Ca 0.49 -1.62 -0.05 0.00 -1.03 0.00 0.00 54.13 51.93 3cf3 s LEU 72 Cb -0.19 0.44 -0.03 0.00 0.03 0.00 0.00 46.19 46.45 3cf3 s LEU 72 CO 0.24 -0.97 -0.01 -0.94 0.23 0.00 0.00 176.35 174.89 3cf3 s SER 73 N -3.31 4.98 -0.08 2.29 1.04 -1.25 -1.22 113.70 116.16 3cf3 s SER 73 Ca 0.39 -0.08 -0.00 0.00 0.48 0.00 0.00 55.95 56.73 3cf3 s SER 73 Cb 0.04 -1.82 0.03 0.00 0.10 0.00 0.00 66.02 64.36 3cf3 s SER 73 CO 0.21 0.17 -0.04 -0.62 0.98 0.00 0.00 173.24 173.94 3cf3 s ASP 74 N 0.38 1.69 0.16 7.02 -1.08 0.62 -4.85 116.67 120.61 3cf3 s ASP 74 Ca -0.02 -0.17 -0.09 0.00 -0.52 0.00 0.00 52.55 51.75 3cf3 s ASP 74 Cb -0.14 -0.59 0.01 0.00 -1.46 0.00 0.00 42.92 40.74 3cf3 s ASP 74 CO 0.02 -0.14 1.50 -2.24 0.52 0.00 0.00 175.17 174.83 3cf3 h ASP 75 N 8.03 0.91 0.24 -0.34 2.03 -1.96 -2.99 116.42 122.34 3cf3 h ASP 75 Ca -0.26 -0.42 0.00 0.00 -0.73 0.00 0.00 57.03 55.61 3cf3 h ASP 75 Cb 1.13 -0.26 0.00 0.00 -0.83 0.00 0.00 39.33 39.38 3cf3 h ASP 75 CO 0.35 1.20 0.00 0.35 -1.03 0.00 0.00 179.24 180.11 3cf3 n THR 76 N -4.05 0.29 -3.28 1.15 -2.24 -1.26 -4.73 114.28 100.16 3cf3 n THR 76 Ca -0.02 0.07 -0.38 0.00 -2.27 0.00 0.00 64.05 61.45 3cf3 n THR 76 Cb 0.55 -0.76 -0.06 0.00 -2.10 0.00 0.00 70.33 67.96 3cf3 n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cf3 s SER 78 N -0.13 6.49 0.62 0.00 1.04 -1.26 -4.45 113.70 116.01 3cf3 s SER 78 Ca 0.29 1.06 0.38 0.00 0.48 0.00 0.00 55.95 58.15 3cf3 s SER 78 Cb -0.17 -2.29 2.09 0.00 0.10 0.00 0.00 66.02 65.75 3cf3 s SER 78 CO 0.15 -0.39 2.29 0.44 0.98 0.00 0.00 173.24 176.71 3cf3 h ASP 79 N 1.21 0.00 -0.08 7.02 3.32 -1.97 -2.00 116.42 123.92 3cf3 h ASP 79 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3cf3 h ASP 79 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3cf3 h ASP 79 CO 0.64 0.01 0.00 -0.62 -1.72 0.00 0.00 179.24 177.55 3cf3 n GLU 80 N -3.40 1.20 -4.01 3.56 4.71 -1.26 -4.92 120.64 116.51 3cf3 n GLU 80 Ca -0.03 -0.31 -0.09 0.00 -0.01 0.00 0.00 57.16 56.72 3cf3 n GLU 80 Cb 0.10 -1.14 -0.08 0.00 -1.01 0.00 0.00 31.44 29.31 3cf3 n GLU 80 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3cf3 s LYS 81 N -1.90 0.97 -0.13 3.49 1.02 -0.75 -2.65 119.74 119.79 3cf3 s LYS 81 Ca 0.12 -1.22 -0.02 0.00 0.02 0.00 0.00 55.97 54.87 3cf3 s LYS 81 Cb 0.06 0.31 0.04 0.00 -0.52 0.00 0.00 37.83 37.72 3cf3 s LYS 81 CO 0.09 -0.31 0.01 -1.50 -0.92 0.00 0.00 175.35 172.72 3cf3 s ILE 82 N -3.97 0.52 0.32 2.17 2.07 -0.44 -4.71 121.20 117.15 3cf3 s ILE 82 Ca 0.16 -0.24 -0.27 0.00 -1.41 0.00 0.00 60.65 58.88 3cf3 s ILE 82 Cb 0.05 -0.82 -0.09 0.00 0.13 0.00 0.00 42.46 41.73 3cf3 s ILE 82 CO -0.02 0.05 1.05 -0.13 -1.91 0.00 0.00 174.94 173.97 3cf3 s ARG 83 N 1.89 4.51 -0.30 3.50 0.52 -0.72 -2.29 118.95 126.06 3cf3 s ARG 83 Ca 0.02 1.62 -0.13 0.00 -0.52 0.00 0.00 55.73 56.72 3cf3 s ARG 83 Cb -0.15 -2.95 0.14 0.00 0.52 0.00 0.00 34.95 32.51 3cf3 s ARG 83 CO -0.07 0.14 0.83 0.00 0.02 0.00 0.00 175.30 176.23 3cf3 s MET 84 N -1.81 0.45 0.66 3.54 0.23 -1.14 -2.59 119.30 118.63 3cf3 s MET 84 Ca 0.49 1.04 -0.09 0.00 -1.03 0.00 0.00 55.69 56.10 3cf3 s MET 84 Cb -0.27 0.55 0.15 0.00 -1.53 0.00 0.00 34.83 33.73 3cf3 s MET 84 CO 0.34 -0.14 0.33 0.27 -2.03 0.00 0.00 175.02 173.79 3cf3 n ASN 85 N 4.97 -2.56 0.10 -1.18 0.23 -1.26 -4.17 115.26 111.38 3cf3 n ASN 85 Ca -0.12 -0.34 -0.05 0.00 -0.53 0.00 0.00 54.58 53.54 3cf3 n ASN 85 Cb 0.52 -0.48 0.08 0.00 -2.08 0.00 0.00 39.78 37.83 3cf3 n ASN 85 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 3cf3 h ARG 86 N 0.00 0.14 0.07 -3.83 2.43 -1.97 -2.84 114.38 108.38 3cf3 h ARG 86 Ca -0.15 -0.12 0.02 0.00 -0.81 0.00 0.00 59.98 58.92 3cf3 h ARG 86 Cb 0.51 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 3cf3 h ARG 86 CO 0.09 0.79 -0.21 0.28 -1.51 0.00 0.00 179.97 179.41 3cf3 h VAL 87 N 0.09 0.51 0.41 0.20 2.07 -1.92 0.57 116.25 118.18 3cf3 h VAL 87 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3cf3 h VAL 87 Cb 1.27 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3cf3 h VAL 87 CO 0.10 0.00 -0.50 0.58 0.02 0.00 0.00 177.57 177.78 3cf3 h VAL 88 N -0.38 0.00 -0.57 2.57 2.07 -1.79 0.12 116.25 118.27 3cf3 h VAL 88 Ca 0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.67 3cf3 h VAL 88 Cb 0.42 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.08 3cf3 h VAL 88 CO -0.15 0.00 -0.19 -0.09 0.02 0.00 0.00 177.57 177.16 3cf3 h ARG 89 N -0.93 -0.05 -0.02 1.57 2.43 -1.30 -2.00 114.38 114.07 3cf3 h ARG 89 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3cf3 h ARG 89 Cb 0.83 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.39 3cf3 h ARG 89 CO -0.11 -0.03 0.01 -0.91 -1.51 0.00 0.00 179.97 177.43 3cf3 h ASN 90 N -0.05 0.02 -0.23 -3.80 -0.26 0.50 -1.45 115.58 110.31 3cf3 h ASN 90 Ca 0.27 -0.00 0.07 0.00 -0.56 0.00 0.00 56.30 56.07 3cf3 h ASN 90 Cb 0.46 -0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.71 3cf3 h ASN 90 CO -0.61 0.02 0.18 0.78 -1.06 0.00 0.00 177.43 176.74 3cf3 h ASN 91 N 0.03 0.00 1.24 5.81 -0.26 -0.29 0.11 115.58 122.22 3cf3 h ASN 91 Ca 0.01 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.59 3cf3 h ASN 91 Cb -0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 3cf3 h ASN 91 CO -0.00 0.00 -0.77 -0.07 -1.06 0.00 0.00 177.43 175.53 3cf3 h LEU 92 N 0.00 0.00 -0.87 1.61 3.38 -0.96 -3.43 115.31 115.04 3cf3 h LEU 92 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3cf3 h LEU 92 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3cf3 h LEU 92 CO -0.00 0.72 0.00 0.54 0.09 0.00 0.00 178.44 179.79 3cf3 n ARG 93 N -3.26 0.00 -4.44 1.13 5.12 0.39 -4.39 116.66 111.22 3cf3 n ARG 93 Ca 0.00 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.68 3cf3 n ARG 93 Cb 0.83 -2.41 -0.09 0.00 -1.16 0.00 0.00 32.46 29.63 3cf3 n ARG 93 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3cf3 s VAL 94 N -2.87 2.64 0.28 1.55 -7.23 -0.81 -4.82 120.40 109.14 3cf3 s VAL 94 Ca 0.00 -2.25 0.11 0.00 -1.81 0.00 0.00 61.98 58.02 3cf3 s VAL 94 Cb 0.00 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.40 3cf3 s VAL 94 CO 0.00 -0.35 -0.17 -0.13 -0.31 0.00 0.00 175.10 174.14 3cf3 s ARG 95 N -3.57 1.64 -0.01 4.82 1.81 -1.26 -4.44 118.95 117.94 3cf3 s ARG 95 Ca 0.31 -1.77 -0.34 0.00 -1.72 0.00 0.00 55.73 52.21 3cf3 s ARG 95 Cb -0.04 -1.64 -0.12 0.00 -0.45 0.00 0.00 34.95 32.70 3cf3 s ARG 95 CO 0.16 0.27 1.81 1.28 -0.68 0.00 0.00 175.30 178.14 3cf3 n LEU 96 N -0.61 3.43 0.00 2.53 7.99 -1.26 -2.16 117.00 126.92 3cf3 n LEU 96 Ca -0.05 1.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.94 3cf3 n LEU 96 Cb 0.61 -1.40 0.00 0.00 -0.11 0.00 0.00 43.42 42.52 3cf3 n LEU 96 CO 0.38 -0.09 0.00 0.61 -1.51 0.00 0.00 177.39 176.79 3cf3 n GLY 97 N 4.16 1.36 3.45 -0.72 0.00 0.16 -5.00 105.19 108.60 3cf3 n GLY 97 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 3cf3 n GLY 97 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cf3 s ASP 98 N -1.06 -0.12 -0.13 1.61 1.01 -0.92 -4.57 116.67 112.48 3cf3 s ASP 98 Ca 0.00 0.73 -0.00 0.00 0.71 0.00 0.00 52.55 53.99 3cf3 s ASP 98 Cb 0.00 -1.02 -0.02 0.00 1.01 0.00 0.00 42.92 42.89 3cf3 s ASP 98 CO 0.00 -4.77 -0.12 0.68 0.21 0.00 0.00 175.17 171.16 3cf3 s VAL 99 N -2.64 3.11 0.35 -1.27 -7.23 -1.26 -2.51 120.40 108.94 3cf3 s VAL 99 Ca 0.70 -0.64 0.05 0.00 -1.81 0.00 0.00 61.98 60.28 3cf3 s VAL 99 Cb -0.11 -2.31 -0.07 0.00 0.56 0.00 0.00 36.38 34.45 3cf3 s VAL 99 CO 0.57 0.52 0.04 0.27 -0.31 0.00 0.00 175.10 176.19 3cf3 s ILE 100 N 0.36 1.42 -0.33 -0.62 -5.25 -1.07 -4.62 121.20 111.09 3cf3 s ILE 100 Ca -0.10 -2.00 0.02 0.00 -0.99 0.00 0.00 60.65 57.58 3cf3 s ILE 100 Cb -0.16 -2.84 0.10 0.00 2.95 0.00 0.00 42.46 42.51 3cf3 s ILE 100 CO 0.05 -0.01 0.06 -0.94 -1.79 0.00 0.00 174.94 172.31 3cf3 s SER 101 N -3.54 4.51 1.07 4.36 1.04 -0.32 -2.61 113.70 118.20 3cf3 s SER 101 Ca 0.36 -1.95 -0.15 0.00 0.48 0.00 0.00 55.95 54.68 3cf3 s SER 101 Cb 0.09 -1.38 0.22 0.00 0.10 0.00 0.00 66.02 65.05 3cf3 s SER 101 CO 0.16 -0.38 1.12 -0.51 0.98 0.00 0.00 173.24 174.61 3cf3 s ILE 102 N 1.14 1.84 0.00 -1.02 2.07 -0.73 -2.87 121.20 121.63 3cf3 s ILE 102 Ca 0.10 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.34 3cf3 s ILE 102 Cb -0.18 -2.57 0.00 0.00 0.13 0.00 0.00 42.46 39.83 3cf3 s ILE 102 CO -0.13 0.00 0.00 1.67 -1.91 0.00 0.00 174.94 174.57 3cf3 n GLN 103 N -4.32 0.00 -1.86 3.50 7.27 -1.13 -4.94 117.38 115.90 3cf3 n GLN 103 Ca 0.09 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.79 3cf3 n GLN 103 Cb 0.59 0.00 0.05 0.00 2.41 0.00 0.00 30.24 33.28 3cf3 n GLN 103 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3cf3 s PRO 104 N 0.00 2.90 -0.40 3.69 0.04 -1.26 -0.65 135.00 139.31 3cf3 s PRO 104 Ca 0.00 2.03 0.08 0.00 0.04 0.00 0.00 61.00 63.15 3cf3 s PRO 104 Cb 0.00 -2.01 0.26 0.00 0.04 0.00 0.00 34.50 32.79 3cf3 s PRO 104 CO 0.00 -1.32 0.61 0.00 0.04 0.00 0.00 177.00 176.33 3cf3 n PRO 106 N 1.28 0.98 0.00 0.00 -0.04 -1.26 -3.51 135.00 132.45 3cf3 n PRO 106 Ca 0.19 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.69 3cf3 n PRO 106 Cb 0.56 -1.19 0.02 0.00 -0.04 0.00 0.00 33.50 32.85 3cf3 n PRO 106 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3cf3 n ASP 107 N 0.33 1.29 -4.61 3.54 5.75 -1.26 -4.96 116.55 116.63 3cf3 n ASP 107 Ca 0.00 -1.15 -0.43 0.00 -0.01 0.00 0.00 54.79 53.20 3cf3 n ASP 107 Cb 0.40 0.18 -0.02 0.00 -1.03 0.00 0.00 41.12 40.65 3cf3 n ASP 107 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3cf3 s VAL 108 N -0.70 4.19 0.02 2.12 1.01 -1.23 -5.01 120.40 120.79 3cf3 s VAL 108 Ca 0.06 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.32 3cf3 s VAL 108 Cb 0.05 -4.42 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 3cf3 s VAL 108 CO 0.10 -0.77 0.10 -0.54 0.00 0.00 0.00 175.10 173.99 3cf3 s LYS 109 N 4.35 3.08 -0.01 2.72 1.02 -1.26 -4.72 119.74 124.92 3cf3 s LYS 109 Ca 0.51 -0.51 -0.16 0.00 0.02 0.00 0.00 55.97 55.84 3cf3 s LYS 109 Cb -0.11 -2.86 -0.08 0.00 -0.52 0.00 0.00 37.83 34.26 3cf3 s LYS 109 CO 0.27 0.63 0.43 0.66 -0.92 0.00 0.00 175.35 176.42 3cf3 n TYR 110 N 0.97 0.27 -1.44 3.18 4.01 -1.26 -3.97 117.16 118.91 3cf3 n TYR 110 Ca -0.11 0.42 -0.30 0.00 -0.16 0.00 0.00 57.90 57.75 3cf3 n TYR 110 Cb 0.52 -0.82 0.19 0.00 -0.31 0.00 0.00 39.34 38.93 3cf3 n TYR 110 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3cf3 s GLY 111 N 0.05 1.63 0.02 2.72 0.00 -0.29 -4.77 107.32 106.69 3cf3 s GLY 111 Ca 0.36 -0.86 -0.04 0.00 0.00 0.00 0.00 44.72 44.18 3cf3 s GLY 111 CO 0.23 -0.12 -0.07 0.28 0.00 0.00 0.00 173.10 173.41 3cf3 n LYS 112 N -4.18 0.11 -4.75 2.90 4.76 -1.26 -4.38 118.16 111.36 3cf3 n LYS 112 Ca 0.11 0.05 -0.25 0.00 -2.87 0.00 0.00 58.31 55.35 3cf3 n LYS 112 Cb 0.59 -0.70 -0.16 0.00 -1.84 0.00 0.00 35.03 32.92 3cf3 n LYS 112 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3cf3 s ARG 113 N -2.18 1.61 -0.12 1.97 0.52 -1.26 -0.39 118.95 119.10 3cf3 s ARG 113 Ca -0.07 -0.55 -0.00 0.00 -0.52 0.00 0.00 55.73 54.59 3cf3 s ARG 113 Cb 0.01 -1.42 0.03 0.00 0.52 0.00 0.00 34.95 34.09 3cf3 s ARG 113 CO 0.09 0.22 -0.08 0.42 0.02 0.00 0.00 175.30 175.98 3cf3 s ILE 114 N 0.06 1.04 -0.44 1.52 1.01 -0.59 -0.09 121.20 123.72 3cf3 s ILE 114 Ca -0.03 -0.33 -0.11 0.00 0.00 0.00 0.00 60.65 60.18 3cf3 s ILE 114 Cb -0.11 -1.08 0.08 0.00 0.01 0.00 0.00 42.46 41.36 3cf3 s ILE 114 CO 0.02 0.35 0.31 -1.00 0.00 0.00 0.00 174.94 174.61 3cf3 s HIS 115 N 1.70 3.30 0.04 3.97 3.76 0.42 -0.06 115.29 128.42 3cf3 s HIS 115 Ca 0.05 -1.31 0.08 0.00 -0.15 0.00 0.00 55.06 53.73 3cf3 s HIS 115 Cb -0.13 -3.03 -0.03 0.00 1.11 0.00 0.00 32.58 30.51 3cf3 s HIS 115 CO -0.08 -0.83 -0.21 0.14 -0.85 0.00 0.00 174.74 172.91 3cf3 s VAL 116 N 1.50 2.56 -0.01 -0.90 -7.23 -1.20 0.64 120.40 115.77 3cf3 s VAL 116 Ca 0.03 -1.24 0.04 0.00 -1.81 0.00 0.00 61.98 59.01 3cf3 s VAL 116 Cb -0.23 -2.04 -0.01 0.00 0.56 0.00 0.00 36.38 34.65 3cf3 s VAL 116 CO 0.04 0.36 -0.13 -0.76 -0.31 0.00 0.00 175.10 174.30 3cf3 s LEU 117 N -1.32 2.03 0.75 1.32 1.43 -1.20 -4.32 118.68 117.37 3cf3 s LEU 117 Ca 0.13 -0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 3cf3 s LEU 117 Cb -0.10 -0.68 0.04 0.00 0.03 0.00 0.00 46.19 45.48 3cf3 s LEU 117 CO 0.04 0.16 1.08 -2.16 0.23 0.00 0.00 176.35 175.69 3cf3 s PRO 118 N -0.35 2.44 -0.30 1.29 0.04 -1.26 -2.18 135.00 134.68 3cf3 s PRO 118 Ca 0.05 0.99 -0.11 0.00 0.04 0.00 0.00 61.00 61.97 3cf3 s PRO 118 Cb -0.05 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 3cf3 s PRO 118 CO -0.00 -1.46 0.18 0.42 0.04 0.00 0.00 177.00 176.17 3cf3 s ILE 119 N -2.99 5.06 0.21 0.56 1.01 -0.30 -1.00 121.20 123.74 3cf3 s ILE 119 Ca 0.60 -0.08 0.09 0.00 0.00 0.00 0.00 60.65 61.26 3cf3 s ILE 119 Cb -0.16 -3.49 0.22 0.00 0.01 0.00 0.00 42.46 39.05 3cf3 s ILE 119 CO 0.55 0.16 0.95 -0.90 0.00 0.00 0.00 174.94 175.70 3cf3 n ASP 120 N 5.04 0.13 -0.97 3.58 5.68 -1.00 -0.34 116.55 128.66 3cf3 n ASP 120 Ca -0.14 1.00 -0.02 0.00 -0.50 0.00 0.00 54.79 55.14 3cf3 n ASP 120 Cb 0.51 -0.45 0.03 0.00 -1.14 0.00 0.00 41.12 40.06 3cf3 n ASP 120 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3cf3 n ASP 121 N -4.48 2.56 -0.63 -1.12 5.68 -1.26 -2.79 116.55 114.50 3cf3 n ASP 121 Ca 0.20 -2.15 -0.00 0.00 -0.50 0.00 0.00 54.79 52.34 3cf3 n ASP 121 Cb 0.68 -0.53 -0.00 0.00 -1.14 0.00 0.00 41.12 40.12 3cf3 n ASP 121 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3cf3 n THR 122 N 0.23 0.00 -0.00 2.12 -2.24 0.53 -4.85 114.28 110.08 3cf3 n THR 122 Ca 0.05 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3cf3 n THR 122 Cb 0.54 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 3cf3 n THR 122 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3cf3 n VAL 123 N 0.05 0.00 -1.40 2.28 0.24 -1.17 -4.41 118.33 113.91 3cf3 n VAL 123 Ca -0.02 0.00 -0.50 0.00 -2.04 0.00 0.00 64.34 61.78 3cf3 n VAL 123 Cb 0.67 0.03 -0.11 0.00 -1.47 0.00 0.00 33.84 32.96 3cf3 n VAL 123 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3cf3 n GLU 124 N 0.00 0.41 0.00 7.34 1.02 -1.12 -0.48 120.64 127.81 3cf3 n GLU 124 Ca 0.00 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 3cf3 n GLU 124 Cb 0.00 -1.96 0.00 0.00 -0.02 0.00 0.00 31.44 29.46 3cf3 n GLU 124 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cf3 n GLY 125 N 6.83 3.65 3.86 0.62 0.00 -1.26 -5.10 105.19 113.78 3cf3 n GLY 125 Ca 0.52 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 3cf3 n GLY 125 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3cf3 s ILE 126 N 0.00 4.89 0.09 -0.61 -4.36 0.37 -4.04 121.20 117.55 3cf3 s ILE 126 Ca 0.00 0.69 -0.01 0.00 -0.26 0.00 0.00 60.65 61.07 3cf3 s ILE 126 Cb 0.00 -3.69 -0.04 0.00 1.25 0.00 0.00 42.46 39.98 3cf3 s ILE 126 CO 0.00 0.13 0.01 0.28 0.24 0.00 0.00 174.94 175.60 3cf3 s THR 127 N -1.59 0.16 0.00 8.37 -1.32 -1.25 -4.85 115.64 115.16 3cf3 s THR 127 Ca 0.41 -1.86 0.00 0.00 -1.21 0.00 0.00 61.69 59.03 3cf3 s THR 127 Cb -0.14 -1.77 0.00 0.00 -1.51 0.00 0.00 72.50 69.08 3cf3 s THR 127 CO 0.20 -0.74 0.00 0.61 -2.21 0.00 0.00 174.62 172.47 3cf3 n GLY 128 N 0.01 0.16 3.55 6.08 0.00 -1.26 -1.10 105.19 112.64 3cf3 n GLY 128 Ca -0.10 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.52 3cf3 n GLY 128 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3cf3 s ASN 129 N -4.00 6.13 0.12 1.61 3.84 -1.26 -4.85 114.94 116.54 3cf3 s ASN 129 Ca 0.00 -0.76 -0.12 0.00 0.21 0.00 0.00 52.86 52.19 3cf3 s ASN 129 Cb 0.00 -2.56 -0.08 0.00 -0.55 0.00 0.00 41.25 38.06 3cf3 s ASN 129 CO 0.00 -1.83 1.42 -0.07 -2.79 0.00 0.00 177.10 173.83 3cf3 h LEU 130 N 13.60 0.94 -2.04 3.21 3.38 -1.99 -2.60 115.31 129.81 3cf3 h LEU 130 Ca -0.08 -0.51 0.08 0.00 0.09 0.00 0.00 57.88 57.47 3cf3 h LEU 130 Cb 1.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3cf3 h LEU 130 CO 1.32 1.27 0.21 0.15 0.09 0.00 0.00 178.44 181.49 3cf3 h PHE 131 N 0.64 0.00 0.05 1.13 3.57 -1.95 -1.20 116.94 119.18 3cf3 h PHE 131 Ca 0.03 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.26 3cf3 h PHE 131 Cb 1.07 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 3cf3 h PHE 131 CO 0.07 0.00 -1.44 1.49 -2.23 0.00 0.00 178.31 176.20 3cf3 h GLU 132 N 0.00 0.11 0.00 1.11 4.57 -1.95 0.47 114.58 118.89 3cf3 h GLU 132 Ca 0.13 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3cf3 h GLU 132 Cb 0.56 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 3cf3 h GLU 132 CO -0.00 1.09 -0.00 0.28 -1.18 0.00 0.00 179.01 179.20 3cf3 h VAL 133 N -0.61 1.24 0.00 0.32 2.07 -1.29 -3.40 116.25 114.58 3cf3 h VAL 133 Ca -0.35 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.47 3cf3 h VAL 133 Cb 1.56 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 3cf3 h VAL 133 CO -0.09 0.18 0.00 -1.22 0.02 0.00 0.00 177.57 176.47 3cf3 n TYR 134 N -4.95 0.00 -0.30 1.57 4.01 -0.47 -4.68 117.16 112.34 3cf3 n TYR 134 Ca -0.08 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.59 3cf3 n TYR 134 Cb 0.16 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.13 3cf3 n TYR 134 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3cf3 n LEU 135 N -1.56 -0.74 0.10 7.72 7.99 -1.21 -2.34 117.00 126.95 3cf3 n LEU 135 Ca 0.00 1.30 -0.16 0.00 -0.01 0.00 0.00 56.01 57.14 3cf3 n LEU 135 Cb 0.00 -0.18 -0.09 0.00 -0.11 0.00 0.00 43.42 43.04 3cf3 n LEU 135 CO 0.00 -1.07 0.53 0.50 -1.51 0.00 0.00 177.39 175.84 3cf3 h LYS 136 N 0.00 -0.69 0.00 3.23 3.64 -1.11 -1.48 116.57 120.16 3cf3 h LYS 136 Ca 0.13 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3cf3 h LYS 136 Cb 0.31 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3cf3 h LYS 136 CO -0.69 -0.46 0.00 -1.35 -2.27 0.00 0.00 179.45 174.68 3cf3 h PRO 137 N -0.72 0.00 0.15 1.90 0.11 -1.70 -1.02 132.00 130.72 3cf3 h PRO 137 Ca 0.01 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 3cf3 h PRO 137 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3cf3 h PRO 137 CO -0.30 0.00 -0.07 -0.92 -0.21 0.00 0.00 178.00 176.50 3cf3 h TYR 138 N 0.00 -0.18 0.00 0.65 3.20 -0.89 -3.28 116.97 116.47 3cf3 h TYR 138 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3cf3 h TYR 138 Cb 0.27 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.60 3cf3 h TYR 138 CO 0.00 0.22 -0.61 1.19 -1.64 0.00 0.00 178.16 177.32 3cf3 n PHE 139 N -4.98 0.52 -0.85 -3.82 3.72 -0.90 -4.71 117.46 106.44 3cf3 n PHE 139 Ca -0.09 0.15 -0.11 0.00 -0.05 0.00 0.00 57.45 57.35 3cf3 n PHE 139 Cb 0.25 -0.63 -0.12 0.00 -0.94 0.00 0.00 39.48 38.04 3cf3 n PHE 139 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 3cf3 n LEU 140 N -2.07 -0.91 -3.94 4.37 7.94 -0.39 0.12 117.00 122.12 3cf3 n LEU 140 Ca 0.03 -0.39 -0.28 0.00 -1.11 0.00 0.00 56.01 54.26 3cf3 n LEU 140 Cb 0.43 -0.32 -0.01 0.00 0.53 0.00 0.00 43.42 44.05 3cf3 n LEU 140 CO 0.36 -0.86 -0.22 -0.62 -1.11 0.00 0.00 177.39 174.94 3cf3 n GLU 141 N 3.17 -2.56 -0.06 1.96 1.02 -1.26 -4.87 120.64 118.05 3cf3 n GLU 141 Ca 0.35 0.37 -0.04 0.00 -0.02 0.00 0.00 57.16 57.82 3cf3 n GLU 141 Cb 0.11 -4.26 -0.11 0.00 -0.02 0.00 0.00 31.44 27.16 3cf3 n GLU 141 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cf3 n ALA 142 N -4.42 1.82 -3.70 0.62 0.00 0.32 -5.01 120.51 110.14 3cf3 n ALA 142 Ca -0.26 -0.82 -0.22 0.00 0.00 0.00 0.00 53.44 52.13 3cf3 n ALA 142 Cb 0.66 -0.13 0.04 0.00 0.00 0.00 0.00 19.45 20.02 3cf3 n ALA 142 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3cf3 n TYR 143 N -2.43 -2.03 -2.28 0.00 4.01 -0.86 -4.89 117.16 108.68 3cf3 n TYR 143 Ca -0.19 0.87 -0.42 0.00 -0.16 0.00 0.00 57.90 57.99 3cf3 n TYR 143 Cb 0.85 -4.44 -0.03 0.00 -0.31 0.00 0.00 39.34 35.42 3cf3 n TYR 143 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3cf3 s ARG 144 N -6.01 4.25 -1.02 -0.72 0.52 -1.23 -4.39 118.95 110.34 3cf3 s ARG 144 Ca 0.12 1.86 -0.23 0.00 -0.52 0.00 0.00 55.73 56.96 3cf3 s ARG 144 Cb -0.06 -3.73 0.06 0.00 0.52 0.00 0.00 34.95 31.74 3cf3 s ARG 144 CO 0.80 -0.67 1.44 -1.25 0.02 0.00 0.00 175.30 175.65 3cf3 s PRO 145 N 3.13 3.60 0.34 3.54 0.04 -1.26 -1.36 135.00 143.03 3cf3 s PRO 145 Ca 0.61 -1.19 -0.01 0.00 0.04 0.00 0.00 61.00 60.46 3cf3 s PRO 145 Cb -0.27 -5.34 0.07 0.00 0.04 0.00 0.00 34.50 28.99 3cf3 s PRO 145 CO 0.22 -2.19 0.46 0.44 0.04 0.00 0.00 177.00 175.98 3cf3 n ILE 146 N 6.79 0.00 -4.02 0.56 -5.35 -1.02 -4.29 119.36 112.03 3cf3 n ILE 146 Ca 0.33 -0.66 -0.10 0.00 -0.27 0.00 0.00 62.75 62.05 3cf3 n ILE 146 Cb 0.51 -1.25 -0.07 0.00 -1.74 0.00 0.00 39.64 37.09 3cf3 n ILE 146 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3cf3 s ARG 147 N -3.68 1.38 -0.52 6.28 3.52 -1.26 -3.34 118.95 121.33 3cf3 s ARG 147 Ca 0.30 -1.30 -0.28 0.00 -0.13 0.00 0.00 55.73 54.32 3cf3 s ARG 147 Cb -0.02 0.41 0.03 0.00 -1.56 0.00 0.00 34.95 33.82 3cf3 s ARG 147 CO 0.20 -0.54 1.11 0.21 -0.81 0.00 0.00 175.30 175.47 3cf3 s LYS 148 N -4.03 3.58 0.00 5.12 2.20 -0.35 -3.26 119.74 123.00 3cf3 s LYS 148 Ca 0.24 0.31 0.00 0.00 -0.36 0.00 0.00 55.97 56.16 3cf3 s LYS 148 Cb 0.02 -3.96 0.00 0.00 -1.51 0.00 0.00 37.83 32.37 3cf3 s LYS 148 CO 0.07 -1.48 0.00 0.41 -0.36 0.00 0.00 175.35 173.99 3cf3 n GLY 149 N 4.97 1.60 3.43 5.54 0.00 -0.16 -5.05 105.19 115.53 3cf3 n GLY 149 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3cf3 n GLY 149 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cf3 n ASP 150 N 0.00 -1.69 -3.43 1.61 8.00 -1.20 -4.67 116.55 115.17 3cf3 n ASP 150 Ca 0.00 0.13 -0.27 0.00 0.71 0.00 0.00 54.79 55.35 3cf3 n ASP 150 Cb 0.00 -1.19 -0.11 0.00 -0.02 0.00 0.00 41.12 39.80 3cf3 n ASP 150 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3cf3 s ILE 151 N -2.39 0.13 0.53 0.53 1.01 -1.26 -1.58 121.20 118.17 3cf3 s ILE 151 Ca 0.60 -1.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.33 3cf3 s ILE 151 Cb -0.20 -1.09 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 3cf3 s ILE 151 CO 0.65 -1.01 0.87 0.72 0.00 0.00 0.00 174.94 176.18 3cf3 s PHE 152 N 0.87 3.57 -0.10 3.97 -0.71 -0.65 -4.85 117.98 120.08 3cf3 s PHE 152 Ca 0.21 0.96 0.03 0.00 -1.04 0.00 0.00 56.93 57.09 3cf3 s PHE 152 Cb -0.16 -2.46 0.01 0.00 -1.21 0.00 0.00 43.02 39.19 3cf3 s PHE 152 CO -0.04 -0.45 -0.20 -1.17 -1.34 0.00 0.00 175.22 172.02 3cf3 s LEU 153 N -4.90 1.96 -0.11 -1.99 2.96 -1.26 -1.70 118.68 113.64 3cf3 s LEU 153 Ca 0.50 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3cf3 s LEU 153 Cb -0.11 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.31 3cf3 s LEU 153 CO 0.48 0.10 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.74 3cf3 s VAL 154 N 0.59 2.63 0.20 1.68 1.01 -0.64 -4.98 120.40 120.88 3cf3 s VAL 154 Ca -0.14 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.08 3cf3 s VAL 154 Cb -0.17 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3cf3 s VAL 154 CO 0.04 0.54 0.19 -0.13 0.00 0.00 0.00 175.10 175.74 3cf3 s ARG 155 N 0.32 3.01 0.00 2.72 0.52 -1.26 -1.27 118.95 122.98 3cf3 s ARG 155 Ca -0.14 -0.89 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 3cf3 s ARG 155 Cb -0.17 -2.67 0.00 0.00 0.52 0.00 0.00 34.95 32.63 3cf3 s ARG 155 CO 0.07 0.46 0.00 0.41 0.02 0.00 0.00 175.30 176.26 3cf3 n GLY 156 N -0.73 4.62 2.04 -3.53 0.00 -0.65 -4.99 105.19 101.96 3cf3 n GLY 156 Ca -0.08 -1.29 -0.06 0.00 0.00 0.00 0.00 46.02 44.59 3cf3 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf3 n GLY 157 N -1.97 0.54 4.07 -0.02 0.00 -1.23 -3.45 105.19 103.12 3cf3 n GLY 157 Ca 0.00 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 3cf3 n GLY 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3cf3 n MET 158 N -1.64 -3.14 -4.00 1.61 0.00 0.34 -4.77 117.12 105.52 3cf3 n MET 158 Ca -0.00 0.37 0.03 0.00 0.00 0.00 0.00 57.70 58.10 3cf3 n MET 158 Cb 0.52 -4.68 0.01 0.00 0.00 0.00 0.00 33.22 29.07 3cf3 n MET 158 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 3cf3 s ARG 159 N -6.75 0.35 -0.04 0.03 1.70 -1.11 -4.90 118.95 108.24 3cf3 s ARG 159 Ca 0.27 -0.23 0.01 0.00 -0.47 0.00 0.00 55.73 55.31 3cf3 s ARG 159 Cb -0.15 0.10 0.02 0.00 -0.57 0.00 0.00 34.95 34.35 3cf3 s ARG 159 CO 0.91 -0.17 -0.04 0.00 -1.08 0.00 0.00 175.30 174.93 3cf3 s ALA 160 N -2.02 0.59 -0.06 7.88 0.00 -1.26 -1.63 121.76 125.26 3cf3 s ALA 160 Ca 0.30 -0.02 0.06 0.00 0.00 0.00 0.00 51.96 52.30 3cf3 s ALA 160 Cb -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 3cf3 s ALA 160 CO -0.01 -0.00 -0.24 0.08 0.00 0.00 0.00 175.76 175.59 3cf3 s VAL 161 N 0.84 2.14 -0.23 0.00 1.01 -0.40 -4.86 120.40 118.90 3cf3 s VAL 161 Ca -0.11 -1.04 -0.11 0.00 0.00 0.00 0.00 61.98 60.72 3cf3 s VAL 161 Cb -0.14 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 3cf3 s VAL 161 CO -0.00 0.57 0.19 -1.61 0.00 0.00 0.00 175.10 174.25 3cf3 s GLU 162 N -0.20 4.10 -0.03 2.72 2.02 -1.26 -1.63 118.70 124.42 3cf3 s GLU 162 Ca -0.02 -0.19 0.05 0.00 0.02 0.00 0.00 54.97 54.83 3cf3 s GLU 162 Cb -0.13 -3.52 -0.02 0.00 0.10 0.00 0.00 34.13 30.55 3cf3 s GLU 162 CO 0.03 0.08 -0.19 -0.06 0.02 0.00 0.00 175.26 175.15 3cf3 s PHE 163 N 0.99 2.57 -0.26 1.61 0.08 -0.69 -1.15 117.98 121.13 3cf3 s PHE 163 Ca 0.09 -0.26 -0.02 0.00 0.12 0.00 0.00 56.93 56.87 3cf3 s PHE 163 Cb -0.13 -1.57 0.03 0.00 -0.57 0.00 0.00 43.02 40.77 3cf3 s PHE 163 CO 0.04 0.11 -0.05 0.21 -0.10 0.00 0.00 175.22 175.44 3cf3 s LYS 164 N -0.73 2.74 -0.41 0.44 2.20 -0.93 -1.63 119.74 121.42 3cf3 s LYS 164 Ca 0.11 -1.04 -0.27 0.00 -0.36 0.00 0.00 55.97 54.40 3cf3 s LYS 164 Cb -0.10 -3.02 -0.07 0.00 -1.51 0.00 0.00 37.83 33.12 3cf3 s LYS 164 CO 0.00 -0.45 2.35 0.28 -0.36 0.00 0.00 175.35 177.18 3cf3 n VAL 165 N 4.65 0.07 -0.01 4.02 0.31 -0.61 -3.24 118.33 123.53 3cf3 n VAL 165 Ca -0.16 -0.63 -0.16 0.00 -0.01 0.00 0.00 64.34 63.38 3cf3 n VAL 165 Cb 0.46 -2.57 -0.12 0.00 -0.91 0.00 0.00 33.84 30.69 3cf3 n VAL 165 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3cf3 h VAL 166 N 7.51 1.56 -2.46 2.52 2.07 -0.13 -0.39 116.25 126.94 3cf3 h VAL 166 Ca -0.29 -2.18 -0.07 0.00 0.82 0.00 0.00 66.70 64.97 3cf3 h VAL 166 Cb 1.26 2.96 -0.25 0.00 -1.52 0.00 0.00 31.29 33.74 3cf3 h VAL 166 CO 1.09 0.60 -0.25 -0.70 0.02 0.00 0.00 177.57 178.34 3cf3 s GLU 167 N -2.81 0.44 -0.13 1.57 2.56 -1.05 -4.74 118.70 114.55 3cf3 s GLU 167 Ca -0.15 0.97 0.01 0.00 0.00 0.00 0.00 54.97 55.79 3cf3 s GLU 167 Cb 0.01 0.15 -0.01 0.00 2.00 0.00 0.00 34.13 36.28 3cf3 s GLU 167 CO 0.77 -0.18 -0.15 0.95 -0.56 0.00 0.00 175.26 176.08 3cf3 s THR 168 N 1.85 2.84 0.04 -1.70 -4.23 -1.26 -0.44 115.64 112.75 3cf3 s THR 168 Ca -0.07 -0.73 -0.11 0.00 -1.18 0.00 0.00 61.69 59.59 3cf3 s THR 168 Cb -0.09 -2.18 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 3cf3 s THR 168 CO -0.14 0.53 1.17 -0.78 -0.54 0.00 0.00 174.62 174.86 3cf3 h ASP 169 N 6.77 -0.53 0.00 3.99 1.82 -0.87 -0.90 116.42 126.70 3cf3 h ASP 169 Ca -0.25 0.06 -0.13 0.00 -0.39 0.00 0.00 57.03 56.32 3cf3 h ASP 169 Cb 1.22 0.20 -0.01 0.00 0.68 0.00 0.00 39.33 41.41 3cf3 h ASP 169 CO 0.54 -0.16 0.78 -2.65 -1.61 0.00 0.00 179.24 176.14 3cf3 n PRO 170 N -3.45 0.99 -1.56 0.28 -0.02 -1.26 -4.88 135.00 125.11 3cf3 n PRO 170 Ca -0.02 -0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 60.40 3cf3 n PRO 170 Cb 0.12 -1.89 0.01 0.00 -0.02 0.00 0.00 33.50 31.72 3cf3 n PRO 170 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3cf3 n SER 171 N 3.33 0.55 0.06 2.55 2.88 -0.35 -2.86 113.62 119.78 3cf3 n SER 171 Ca 0.21 1.00 -0.04 0.00 -1.33 0.00 0.00 58.87 58.72 3cf3 n SER 171 Cb 0.27 -1.27 -0.08 0.00 -0.75 0.00 0.00 64.21 62.38 3cf3 n SER 171 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3cf3 h PRO 172 N 1.30 0.00 -6.22 -1.46 0.13 -1.90 -3.49 132.00 120.36 3cf3 h PRO 172 Ca -0.42 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.13 3cf3 h PRO 172 Cb 1.36 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.30 3cf3 h PRO 172 CO 0.55 0.65 -0.81 1.52 -0.23 0.00 0.00 178.00 179.69 3cf3 s TYR 173 N -2.79 1.99 0.21 1.56 -0.85 -1.13 -1.21 117.35 115.13 3cf3 s TYR 173 Ca -0.00 -0.42 -0.22 0.00 -0.52 0.00 0.00 57.07 55.90 3cf3 s TYR 173 Cb 0.09 -1.01 0.05 0.00 0.38 0.00 0.00 41.96 41.47 3cf3 s TYR 173 CO 0.80 0.37 0.68 0.00 -1.52 0.00 0.00 175.55 175.88 3cf3 s ILE 175 N -3.80 5.43 -0.86 0.00 1.01 -1.25 -2.44 121.20 119.30 3cf3 s ILE 175 Ca 0.07 0.30 -0.23 0.00 0.00 0.00 0.00 60.65 60.79 3cf3 s ILE 175 Cb -0.03 -3.45 0.07 0.00 0.01 0.00 0.00 42.46 39.05 3cf3 s ILE 175 CO -0.02 0.59 1.24 -0.69 0.00 0.00 0.00 174.94 176.06 3cf3 s VAL 176 N -0.89 4.14 0.01 2.92 1.01 -0.47 -1.14 120.40 125.99 3cf3 s VAL 176 Ca 0.16 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 3cf3 s VAL 176 Cb -0.13 -4.89 -0.05 0.00 0.00 0.00 0.00 36.38 31.32 3cf3 s VAL 176 CO 0.05 -1.72 0.26 0.00 0.00 0.00 0.00 175.10 173.69 3cf3 s ALA 177 N 4.44 3.86 -0.04 5.51 0.00 -1.26 -2.03 121.76 132.24 3cf3 s ALA 177 Ca 0.35 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.71 3cf3 s ALA 177 Cb -0.06 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 21.01 3cf3 s ALA 177 CO 0.00 0.67 0.29 -0.35 0.00 0.00 0.00 175.76 176.37 3cf3 n PRO 178 N 1.03 0.00 -0.13 0.00 -0.04 -1.26 0.42 135.00 135.02 3cf3 n PRO 178 Ca -0.11 0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.16 3cf3 n PRO 178 Cb 0.53 -1.77 -0.12 0.00 -0.04 0.00 0.00 33.50 32.10 3cf3 n PRO 178 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3cf3 n ASP 179 N -0.79 1.99 -4.51 3.54 9.92 -1.26 -4.97 116.55 120.46 3cf3 n ASP 179 Ca 0.00 -0.06 -0.55 0.00 -0.53 0.00 0.00 54.79 53.65 3cf3 n ASP 179 Cb 0.27 -0.47 -0.06 0.00 -0.64 0.00 0.00 41.12 40.21 3cf3 n ASP 179 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 3cf3 n THR 180 N -3.42 0.39 -2.80 -3.53 -1.04 0.17 -4.91 114.28 99.14 3cf3 n THR 180 Ca -0.47 -0.10 -0.33 0.00 -2.04 0.00 0.00 64.05 61.11 3cf3 n THR 180 Cb 0.97 -0.26 -0.06 0.00 -1.82 0.00 0.00 70.33 69.16 3cf3 n THR 180 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3cf3 s VAL 181 N -0.08 4.48 -0.05 12.58 1.01 0.48 -4.90 120.40 133.92 3cf3 s VAL 181 Ca 0.84 1.32 0.02 0.00 0.00 0.00 0.00 61.98 64.16 3cf3 s VAL 181 Cb -1.11 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 31.65 3cf3 s VAL 181 CO 0.54 -0.37 -0.11 -0.63 0.00 0.00 0.00 175.10 174.54 3cf3 s ILE 182 N -2.23 0.98 0.21 2.22 1.01 -1.26 -1.54 121.20 120.59 3cf3 s ILE 182 Ca 0.60 -0.41 0.06 0.00 0.00 0.00 0.00 60.65 60.90 3cf3 s ILE 182 Cb -0.09 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 3cf3 s ILE 182 CO 0.17 0.32 0.18 -1.00 0.00 0.00 0.00 174.94 174.61 3cf3 s HIS 183 N 0.60 3.16 -0.47 3.97 3.76 0.91 -4.96 115.29 122.25 3cf3 s HIS 183 Ca -0.12 -0.06 0.06 0.00 -0.15 0.00 0.00 55.06 54.79 3cf3 s HIS 183 Cb -0.14 -1.46 0.18 0.00 1.11 0.00 0.00 32.58 32.27 3cf3 s HIS 183 CO 0.02 0.52 0.56 0.00 -0.85 0.00 0.00 174.74 174.99 3cf3 n GLU 185 N 2.90 0.00 -3.12 0.00 -0.58 -1.26 -4.76 120.64 113.81 3cf3 n GLU 185 Ca 0.23 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.76 3cf3 n GLU 185 Cb 0.52 -0.97 -0.04 0.00 -0.57 0.00 0.00 31.44 30.38 3cf3 n GLU 185 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3cf3 n GLY 186 N -0.11 -0.18 2.54 0.62 0.00 -1.26 -4.83 105.19 101.97 3cf3 n GLY 186 Ca 0.00 0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 3cf3 n GLY 186 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cf3 s GLU 187 N -4.37 0.64 0.08 1.61 2.56 -1.26 -5.13 118.70 112.82 3cf3 s GLU 187 Ca 0.36 -1.32 -0.37 0.00 0.00 0.00 0.00 54.97 53.64 3cf3 s GLU 187 Cb -0.21 -1.13 -0.18 0.00 2.00 0.00 0.00 34.13 34.62 3cf3 s GLU 187 CO 0.52 -1.24 1.18 -2.30 -0.56 0.00 0.00 175.26 172.86 3cf3 n PRO 188 N 3.88 0.69 -3.23 4.30 -0.02 -1.26 -4.84 135.00 134.52 3cf3 n PRO 188 Ca 0.15 0.25 -0.37 0.00 -2.02 0.00 0.00 63.50 61.50 3cf3 n PRO 188 Cb 0.41 -1.79 -0.06 0.00 -0.02 0.00 0.00 33.50 32.05 3cf3 n PRO 188 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3cf3 s ILE 189 N 0.13 4.69 0.60 4.25 -4.36 -0.17 -4.57 121.20 121.77 3cf3 s ILE 189 Ca 0.84 1.19 -0.17 0.00 -0.26 0.00 0.00 60.65 62.25 3cf3 s ILE 189 Cb -1.05 -3.88 -0.03 0.00 1.25 0.00 0.00 42.46 38.75 3cf3 s ILE 189 CO 0.52 0.42 1.10 -0.54 0.24 0.00 0.00 174.94 176.68 3cf3 s LYS 190 N -1.46 3.12 -0.06 0.37 1.02 -1.26 -2.38 119.74 119.09 3cf3 s LYS 190 Ca 0.34 1.41 -0.30 0.00 0.02 0.00 0.00 55.97 57.45 3cf3 s LYS 190 Cb -0.18 -1.99 -0.03 0.00 -0.52 0.00 0.00 37.83 35.10 3cf3 s LYS 190 CO 0.20 -1.00 1.18 0.50 -0.92 0.00 0.00 175.35 175.31 3cf3 s ARG 191 N -3.81 4.36 0.46 1.68 3.52 -1.26 -4.96 118.95 118.95 3cf3 s ARG 191 Ca 0.68 1.65 -0.22 0.00 -0.13 0.00 0.00 55.73 57.70 3cf3 s ARG 191 Cb -0.20 -3.55 -0.08 0.00 -1.56 0.00 0.00 34.95 29.56 3cf3 s ARG 191 CO 0.35 -0.43 1.11 -1.21 -0.81 0.00 0.00 175.30 174.31 3cf3 s GLU 192 N 2.16 3.80 0.00 5.12 0.41 -1.26 -4.99 118.70 123.94 3cf3 s GLU 192 Ca 0.55 1.61 0.00 0.00 -0.41 0.00 0.00 54.97 56.72 3cf3 s GLU 192 Cb -0.24 -2.32 0.00 0.00 -1.78 0.00 0.00 34.13 29.79 3cf3 s GLU 192 CO 0.22 -0.47 0.67 -3.47 -0.49 0.00 0.00 175.26 171.72 3cf3 n ASP 193 N -0.60 0.00 -0.46 -0.19 2.03 -1.26 -1.73 116.55 114.34 3cf3 n ASP 193 Ca 0.08 0.67 0.00 0.00 0.52 0.00 0.00 54.79 56.06 3cf3 n ASP 193 Cb 0.50 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 3cf3 n ASP 193 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3cf3 n GLU 194 N -1.48 0.00 -3.67 -0.67 0.00 -1.26 -4.40 120.64 109.16 3cf3 n GLU 194 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.78 3cf3 n GLU 194 Cb 0.00 -0.98 -0.08 0.00 0.00 0.00 0.00 31.44 30.38 3cf3 n GLU 194 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 3cf3 s GLU 195 N -1.02 2.74 0.32 3.44 2.02 -0.71 -5.07 118.70 120.43 3cf3 s GLU 195 Ca 0.00 -2.59 -0.29 0.00 0.02 0.00 0.00 54.97 52.11 3cf3 s GLU 195 Cb 0.00 -3.83 -0.12 0.00 0.10 0.00 0.00 34.13 30.28 3cf3 s GLU 195 CO 0.00 -1.19 1.54 0.39 0.02 0.00 0.00 175.26 176.01 3cf3 n GLU 196 N 3.44 2.61 -2.18 1.61 1.02 -1.26 -4.78 120.64 121.10 3cf3 n GLU 196 Ca 0.10 0.93 -0.41 0.00 -0.02 0.00 0.00 57.16 57.75 3cf3 n GLU 196 Cb 0.39 -2.67 -0.03 0.00 -0.02 0.00 0.00 31.44 29.11 3cf3 n GLU 196 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3cf3 s SER 197 N 0.26 6.85 0.00 1.62 0.15 -1.26 -4.84 113.70 116.49 3cf3 s SER 197 Ca 0.61 2.46 0.21 0.00 0.70 0.00 0.00 55.95 59.93 3cf3 s SER 197 Cb -0.51 -2.61 1.27 0.00 -1.71 0.00 0.00 66.02 62.46 3cf3 s SER 197 CO 0.54 -0.55 1.68 0.18 1.20 0.00 0.00 173.24 176.28 3cf3 n LEU 198 N 2.47 0.00 0.11 3.45 4.77 -1.26 -2.66 117.00 123.88 3cf3 n LEU 198 Ca 0.06 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.02 3cf3 n LEU 198 Cb 0.42 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.53 3cf3 n LEU 198 CO 0.58 0.00 0.36 -1.13 -1.33 0.00 0.00 177.39 175.88 3cf3 h ASN 199 N 0.00 0.00 -2.30 -1.43 -1.24 -1.98 -3.47 115.58 105.16 3cf3 h ASN 199 Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.82 3cf3 h ASN 199 Cb 0.00 0.00 0.10 0.00 0.73 0.00 0.00 38.32 39.15 3cf3 h ASN 199 CO 0.00 0.70 0.02 -0.62 -1.29 0.00 0.00 177.43 176.25 3cf3 n GLU 200 N -3.37 -2.40 -3.02 6.67 1.02 -1.09 -5.02 120.64 113.43 3cf3 n GLU 200 Ca 0.01 -0.83 -0.33 0.00 -0.02 0.00 0.00 57.16 55.99 3cf3 n GLU 200 Cb 0.78 -0.84 -0.06 0.00 -0.02 0.00 0.00 31.44 31.30 3cf3 n GLU 200 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3cf3 s VAL 201 N -1.87 4.55 0.27 2.62 1.01 -1.26 -5.03 120.40 120.69 3cf3 s VAL 201 Ca 0.34 1.21 -0.20 0.00 0.00 0.00 0.00 61.98 63.33 3cf3 s VAL 201 Cb -0.04 -3.67 0.06 0.00 0.00 0.00 0.00 36.38 32.72 3cf3 s VAL 201 CO 0.27 -0.14 0.88 -0.83 0.00 0.00 0.00 175.10 175.28 3cf3 s GLY 202 N -2.11 0.11 0.40 4.51 0.00 -1.26 -4.55 107.32 104.42 3cf3 s GLY 202 Ca 0.54 -0.40 0.27 0.00 0.00 0.00 0.00 44.72 45.14 3cf3 s GLY 202 CO 0.17 0.56 1.84 -0.97 0.00 0.00 0.00 173.10 174.70 3cf3 h TYR 203 N 2.00 0.00 0.00 1.90 0.05 -1.96 0.29 116.97 119.25 3cf3 h TYR 203 Ca -0.27 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.51 3cf3 h TYR 203 Cb 1.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.98 3cf3 h TYR 203 CO 1.03 0.00 0.00 -0.40 -1.05 0.00 0.00 178.16 177.74 3cf3 n ASP 204 N -2.47 0.31 -1.23 3.88 5.75 -1.26 -2.80 116.55 118.73 3cf3 n ASP 204 Ca -0.01 0.54 0.08 0.00 -0.01 0.00 0.00 54.79 55.39 3cf3 n ASP 204 Cb 0.09 -0.62 0.28 0.00 -1.03 0.00 0.00 41.12 39.84 3cf3 n ASP 204 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3cf3 n ASP 205 N -1.80 3.59 -4.04 -1.12 8.00 0.09 -4.85 116.55 116.42 3cf3 n ASP 205 Ca 0.06 -2.19 -0.28 0.00 0.71 0.00 0.00 54.79 53.08 3cf3 n ASP 205 Cb 0.35 -0.46 -0.17 0.00 -0.02 0.00 0.00 41.12 40.82 3cf3 n ASP 205 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3cf3 s ILE 206 N -1.52 1.44 0.11 0.53 -4.36 -1.12 -4.97 121.20 111.31 3cf3 s ILE 206 Ca 0.41 -0.60 0.10 0.00 -0.26 0.00 0.00 60.65 60.30 3cf3 s ILE 206 Cb 0.24 -1.33 -0.04 0.00 1.25 0.00 0.00 42.46 42.58 3cf3 s ILE 206 CO 0.23 0.43 -0.25 -0.83 0.24 0.00 0.00 174.94 174.76 3cf3 s GLY 207 N 1.06 1.57 0.00 6.27 0.00 -1.26 -4.70 107.32 110.25 3cf3 s GLY 207 Ca -0.05 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.26 3cf3 s GLY 207 CO -0.02 -1.36 0.00 0.61 0.00 0.00 0.00 173.10 172.32 3cf3 n GLY 208 N 1.07 2.31 3.30 0.20 0.00 -1.26 -4.76 105.19 106.05 3cf3 n GLY 208 Ca -0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 3cf3 n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cf3 n ARG 210 N 3.10 0.00 -0.40 0.00 1.74 -1.26 -3.74 116.66 116.10 3cf3 n ARG 210 Ca 0.20 0.10 0.35 0.00 -0.77 0.00 0.00 57.85 57.73 3cf3 n ARG 210 Cb 0.41 -0.50 0.62 0.00 -1.02 0.00 0.00 32.46 31.98 3cf3 n ARG 210 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3cf3 h LYS 211 N 0.00 0.05 0.58 5.56 1.79 -2.00 0.42 116.57 122.96 3cf3 h LYS 211 Ca 0.00 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 3cf3 h LYS 211 Cb 0.00 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 30.65 3cf3 h LYS 211 CO 0.00 0.03 -0.28 1.96 -1.08 0.00 0.00 179.45 180.08 3cf3 h GLN 212 N 0.05 -0.75 -0.99 3.15 7.50 -1.91 -2.94 115.11 119.23 3cf3 h GLN 212 Ca 0.85 0.05 0.20 0.00 0.50 0.00 0.00 58.65 60.25 3cf3 h GLN 212 Cb 2.48 0.17 -0.10 0.00 0.05 0.00 0.00 27.48 30.08 3cf3 h GLN 212 CO -0.58 -0.46 0.62 -0.07 -1.50 0.00 0.00 178.83 176.84 3cf3 h LEU 213 N -1.14 0.66 0.02 1.46 3.38 -1.05 -1.35 115.31 117.28 3cf3 h LEU 213 Ca -0.08 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3cf3 h LEU 213 Cb 0.63 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3cf3 h LEU 213 CO 0.13 0.22 -0.14 0.00 0.09 0.00 0.00 178.44 178.74 3cf3 h ALA 214 N 1.64 -0.65 -0.16 1.53 0.00 -1.20 -0.62 119.26 119.79 3cf3 h ALA 214 Ca 0.56 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.47 3cf3 h ALA 214 Cb 1.05 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 19.38 3cf3 h ALA 214 CO -0.33 -0.69 -0.38 1.96 0.00 0.00 0.00 179.25 179.81 3cf3 h GLN 215 N -0.19 -0.35 -1.15 0.00 4.20 -1.10 -1.64 115.11 114.88 3cf3 h GLN 215 Ca 0.00 0.02 0.36 0.00 0.06 0.00 0.00 58.65 59.09 3cf3 h GLN 215 Cb 0.20 0.08 -0.12 0.00 0.30 0.00 0.00 27.48 27.93 3cf3 h GLN 215 CO -0.08 -0.23 0.72 0.82 -0.67 0.00 0.00 178.83 179.39 3cf3 h ILE 216 N -0.36 0.28 0.15 2.54 2.04 -1.21 -2.77 117.51 118.17 3cf3 h ILE 216 Ca 0.03 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3cf3 h ILE 216 Cb 0.45 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 3cf3 h ILE 216 CO -0.35 0.04 -0.07 0.11 0.00 0.00 0.00 178.15 177.89 3cf3 h LYS 217 N 0.23 -0.19 -0.34 2.37 1.57 -0.10 -2.77 116.57 117.34 3cf3 h LYS 217 Ca 0.73 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.63 3cf3 h LYS 217 Cb 2.04 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 34.38 3cf3 h LYS 217 CO -0.44 -0.13 0.61 1.05 -0.57 0.00 0.00 179.45 179.97 3cf3 h GLU 218 N -0.22 0.00 -0.07 3.15 4.11 -1.43 0.31 114.58 120.43 3cf3 h GLU 218 Ca -0.02 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.37 3cf3 h GLU 218 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3cf3 h GLU 218 CO 0.03 0.00 -0.12 0.52 0.07 0.00 0.00 179.01 179.52 3cf3 h MET 219 N 0.00 0.20 -0.01 1.06 2.86 -1.37 -3.31 114.93 114.35 3cf3 h MET 219 Ca 0.16 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3cf3 h MET 219 Cb 1.38 0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.05 3cf3 h MET 219 CO -0.00 0.70 -0.39 1.33 1.06 0.00 0.00 176.91 179.60 3cf3 n VAL 220 N -4.65 0.00 0.00 -2.22 0.24 -0.05 -4.63 118.33 107.02 3cf3 n VAL 220 Ca -0.08 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 3cf3 n VAL 220 Cb 0.35 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 33.71 3cf3 n VAL 220 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3cf3 n GLU 221 N -0.18 0.00 -0.21 7.34 4.07 0.89 -1.62 120.64 130.93 3cf3 n GLU 221 Ca 0.10 0.17 -0.01 0.00 -0.06 0.00 0.00 57.16 57.36 3cf3 n GLU 221 Cb 0.43 -0.84 0.06 0.00 -0.06 0.00 0.00 31.44 31.03 3cf3 n GLU 221 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3cf3 h LEU 222 N 0.00 -0.63 -0.45 4.31 3.38 -1.83 -0.37 115.31 119.72 3cf3 h LEU 222 Ca 0.00 0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 3cf3 h LEU 222 Cb 0.00 0.40 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3cf3 h LEU 222 CO 0.00 -0.22 0.11 1.55 0.09 0.00 0.00 178.44 179.98 3cf3 h PRO 223 N -0.02 0.71 0.00 1.13 0.13 -1.82 0.21 132.00 132.35 3cf3 h PRO 223 Ca 0.30 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3cf3 h PRO 223 Cb 0.47 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.50 3cf3 h PRO 223 CO -0.65 0.71 -0.67 -0.07 -0.23 0.00 0.00 178.00 177.09 3cf3 h LEU 224 N 0.59 0.00 0.00 1.56 4.07 -1.18 -3.33 115.31 117.02 3cf3 h LEU 224 Ca 0.14 -0.13 -0.29 0.00 0.08 0.00 0.00 57.88 57.68 3cf3 h LEU 224 Cb 0.31 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.00 3cf3 h LEU 224 CO 0.00 0.07 -2.10 0.54 -1.08 0.00 0.00 178.44 175.87 3cf3 n ARG 225 N -2.35 0.99 -3.29 1.13 5.12 -0.16 -4.76 116.66 113.34 3cf3 n ARG 225 Ca 0.02 0.05 -0.26 0.00 -1.93 0.00 0.00 57.85 55.74 3cf3 n ARG 225 Cb 0.48 -1.40 -0.07 0.00 -1.16 0.00 0.00 32.46 30.31 3cf3 n ARG 225 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3cf3 n HIS 226 N -2.82 2.62 -0.01 -1.55 8.25 0.75 -4.97 115.22 117.48 3cf3 n HIS 226 Ca -0.30 -3.98 -0.07 0.00 -0.26 0.00 0.00 57.72 53.11 3cf3 n HIS 226 Cb 0.94 -0.49 -0.05 0.00 1.12 0.00 0.00 29.99 31.51 3cf3 n HIS 226 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3cf3 h PRO 227 N 3.89 -0.25 -0.67 -0.41 0.11 -1.68 -2.67 132.00 130.33 3cf3 h PRO 227 Ca 0.15 0.02 0.19 0.00 0.11 0.00 0.00 66.00 66.48 3cf3 h PRO 227 Cb 0.70 0.06 -0.12 0.00 0.11 0.00 0.00 31.00 31.75 3cf3 h PRO 227 CO 0.73 -0.16 0.05 0.00 -0.21 0.00 0.00 178.00 178.41 3cf3 n ALA 228 N -2.79 0.38 -0.33 -0.75 0.00 -1.26 -0.33 120.51 115.44 3cf3 n ALA 228 Ca -0.03 0.71 0.15 0.00 0.00 0.00 0.00 53.44 54.28 3cf3 n ALA 228 Cb 0.17 -0.54 0.30 0.00 0.00 0.00 0.00 19.45 19.38 3cf3 n ALA 228 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3cf3 h LEU 229 N 0.00 -0.36 -0.21 0.00 5.85 -1.83 1.07 115.31 119.83 3cf3 h LEU 229 Ca 0.42 0.26 0.00 0.00 0.84 0.00 0.00 57.88 59.41 3cf3 h LEU 229 Cb 0.90 0.44 0.00 0.00 0.37 0.00 0.00 40.66 42.37 3cf3 h LEU 229 CO -0.62 -0.32 0.00 0.49 -0.34 0.00 0.00 178.44 177.65 3cf3 n PHE 230 N -5.43 0.76 0.46 1.25 3.72 0.56 -0.14 117.46 118.64 3cf3 n PHE 230 Ca 0.23 0.25 0.11 0.00 -0.05 0.00 0.00 57.45 57.99 3cf3 n PHE 230 Cb 0.77 -0.90 0.46 0.00 -0.94 0.00 0.00 39.48 38.87 3cf3 n PHE 230 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3cf3 n LYS 231 N -2.14 0.17 0.00 -1.08 4.81 0.37 -3.66 118.16 116.62 3cf3 n LYS 231 Ca 0.05 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 3cf3 n LYS 231 Cb 0.35 -1.80 0.00 0.00 0.02 0.00 0.00 35.03 33.60 3cf3 n LYS 231 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3cf3 n ALA 232 N -1.73 1.58 -2.45 3.14 0.00 -0.95 -5.04 120.51 115.06 3cf3 n ALA 232 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.08 3cf3 n ALA 232 Cb 0.25 0.13 -0.06 0.00 0.00 0.00 0.00 19.45 19.77 3cf3 n ALA 232 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3cf3 s ILE 233 N -1.58 4.87 -0.21 0.00 1.10 0.81 -4.95 121.20 121.23 3cf3 s ILE 233 Ca 0.00 1.28 -0.04 0.00 -0.51 0.00 0.00 60.65 61.38 3cf3 s ILE 233 Cb 0.00 -3.95 -0.08 0.00 0.15 0.00 0.00 42.46 38.58 3cf3 s ILE 233 CO 0.00 0.43 3.08 0.61 -2.11 0.00 0.00 174.94 176.95 3cf3 n GLY 234 N 2.35 3.62 3.16 1.50 0.00 -1.26 -4.69 105.19 109.87 3cf3 n GLY 234 Ca -0.07 -1.43 -0.28 0.00 0.00 0.00 0.00 46.02 44.24 3cf3 n GLY 234 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cf3 s VAL 235 N -0.64 1.61 -0.14 1.61 1.01 -1.26 -5.12 120.40 117.46 3cf3 s VAL 235 Ca 0.58 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 61.54 3cf3 s VAL 235 Cb 0.33 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 3cf3 s VAL 235 CO -0.10 0.46 0.69 -1.59 0.00 0.00 0.00 175.10 174.56 3cf3 s LYS 236 N 0.14 4.32 -0.14 2.72 -2.85 -1.26 -4.96 119.74 117.72 3cf3 s LYS 236 Ca -0.08 0.78 -0.25 0.00 -1.00 0.00 0.00 55.97 55.43 3cf3 s LYS 236 Cb -0.14 -3.52 -0.02 0.00 -2.06 0.00 0.00 37.83 32.10 3cf3 s LYS 236 CO 0.04 -0.11 0.81 -1.25 0.10 0.00 0.00 175.35 174.93 3cf3 s PRO 237 N 1.44 4.34 -0.28 1.78 0.04 -1.26 -4.96 135.00 136.11 3cf3 s PRO 237 Ca 0.34 1.00 -0.39 0.00 0.04 0.00 0.00 61.00 61.99 3cf3 s PRO 237 Cb -0.17 -3.54 -0.18 0.00 0.04 0.00 0.00 34.50 30.66 3cf3 s PRO 237 CO 0.14 -0.23 1.23 -0.35 0.04 0.00 0.00 177.00 177.83 3cf3 n PRO 238 N 4.84 0.00 0.03 0.56 -0.04 -1.26 -4.83 135.00 134.30 3cf3 n PRO 238 Ca 0.03 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.29 3cf3 n PRO 238 Cb 0.49 -1.31 -0.14 0.00 -0.04 0.00 0.00 33.50 32.50 3cf3 n PRO 238 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cf3 h ARG 239 N 3.73 0.27 -5.26 0.54 3.08 -1.88 -3.47 114.38 111.40 3cf3 h ARG 239 Ca -0.41 -0.47 -0.67 0.00 0.07 0.00 0.00 59.98 58.50 3cf3 h ARG 239 Cb 1.22 0.17 -0.33 0.00 0.08 0.00 0.00 29.97 31.11 3cf3 h ARG 239 CO 0.75 1.22 -0.87 0.20 -1.07 0.00 0.00 179.97 180.20 3cf3 s GLY 240 N -4.57 1.31 -0.15 0.04 0.00 -0.45 -2.02 107.32 101.48 3cf3 s GLY 240 Ca -0.16 -0.98 -0.02 0.00 0.00 0.00 0.00 44.72 43.57 3cf3 s GLY 240 CO 0.81 -0.22 -0.09 -0.42 0.00 0.00 0.00 173.10 173.18 3cf3 s ILE 241 N 0.50 3.34 -0.14 0.90 1.01 -0.83 -3.08 121.20 122.89 3cf3 s ILE 241 Ca -0.15 -0.55 -0.02 0.00 0.00 0.00 0.00 60.65 59.93 3cf3 s ILE 241 Cb -0.17 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 3cf3 s ILE 241 CO 0.06 0.50 -0.08 -0.22 0.00 0.00 0.00 174.94 175.19 3cf3 s LEU 242 N 0.51 3.00 -0.29 2.97 2.96 -0.65 -1.03 118.68 126.14 3cf3 s LEU 242 Ca -0.07 -0.21 -0.08 0.00 -0.22 0.00 0.00 54.13 53.56 3cf3 s LEU 242 Cb -0.15 -1.70 -0.00 0.00 0.50 0.00 0.00 46.19 44.84 3cf3 s LEU 242 CO 0.04 0.18 0.09 -0.76 -1.32 0.00 0.00 176.35 174.58 3cf3 s LEU 243 N 0.26 3.80 0.86 -0.68 1.02 0.14 -1.58 118.68 122.50 3cf3 s LEU 243 Ca -0.06 -0.54 -0.09 0.00 0.02 0.00 0.00 54.13 53.46 3cf3 s LEU 243 Cb -0.15 -1.92 0.17 0.00 0.02 0.00 0.00 46.19 44.32 3cf3 s LEU 243 CO 0.04 -0.15 1.18 -0.31 0.02 0.00 0.00 176.35 177.13 3cf3 s TYR 244 N 1.55 1.48 0.00 0.29 2.02 0.33 -2.02 117.35 121.00 3cf3 s TYR 244 Ca 0.04 0.01 0.00 0.00 -0.37 0.00 0.00 57.07 56.75 3cf3 s TYR 244 Cb -0.17 -3.62 0.00 0.00 -0.40 0.00 0.00 41.96 37.77 3cf3 s TYR 244 CO 0.03 -2.28 0.00 0.41 -1.57 0.00 0.00 175.55 172.15 3cf3 n GLY 245 N -3.37 3.55 3.82 0.71 0.00 -1.22 -3.43 105.19 105.25 3cf3 n GLY 245 Ca 0.16 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 3cf3 n GLY 245 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cf3 s PRO 246 N -4.25 2.16 -0.07 1.61 0.04 -1.26 -4.09 135.00 129.14 3cf3 s PRO 246 Ca 0.00 0.57 -0.32 0.00 0.04 0.00 0.00 61.00 61.29 3cf3 s PRO 246 Cb 0.00 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.51 3cf3 s PRO 246 CO 0.00 -1.55 1.98 -2.30 0.04 0.00 0.00 177.00 175.17 3cf3 n PRO 247 N -3.38 2.37 0.00 0.56 -0.02 -1.26 -2.23 135.00 131.04 3cf3 n PRO 247 Ca 0.07 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 3cf3 n PRO 247 Cb 0.57 -2.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 3cf3 n PRO 247 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cf3 n GLY 248 N 4.75 1.96 0.23 -1.23 0.00 -1.26 -4.96 105.19 104.68 3cf3 n GLY 248 Ca 0.24 -0.60 0.05 0.00 0.00 0.00 0.00 46.02 45.70 3cf3 n GLY 248 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cf3 n THR 249 N 0.00 -0.27 0.00 2.61 -1.04 -0.95 -3.22 114.28 111.41 3cf3 n THR 249 Ca 0.00 1.49 0.00 0.00 -2.04 0.00 0.00 64.05 63.50 3cf3 n THR 249 Cb 0.00 -2.08 0.00 0.00 -1.82 0.00 0.00 70.33 66.43 3cf3 n THR 249 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3cf3 n GLY 250 N -1.40 1.00 0.10 3.41 0.00 -1.26 -4.35 105.19 102.69 3cf3 n GLY 250 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 3cf3 n GLY 250 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cf3 h LYS 251 N 0.00 -0.08 0.41 1.61 1.57 -1.91 -2.83 116.57 115.34 3cf3 h LYS 251 Ca 0.00 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3cf3 h LYS 251 Cb 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3cf3 h LYS 251 CO 0.00 -0.06 -0.31 1.15 -0.57 0.00 0.00 179.45 179.66 3cf3 h THR 252 N -0.09 0.35 -0.92 -0.16 2.02 -1.97 -2.65 112.91 109.49 3cf3 h THR 252 Ca 0.04 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.30 3cf3 h THR 252 Cb 0.14 0.35 -0.12 0.00 -1.74 0.00 0.00 68.15 66.79 3cf3 h THR 252 CO -0.09 0.00 -0.58 0.25 0.37 0.00 0.00 175.52 175.47 3cf3 h LEU 253 N -0.71 -2.10 -0.26 2.58 6.46 -1.97 -0.44 115.31 118.87 3cf3 h LEU 253 Ca -0.04 0.32 0.06 0.00 -0.12 0.00 0.00 57.88 58.10 3cf3 h LEU 253 Cb 0.61 0.93 -0.08 0.00 -0.73 0.00 0.00 40.66 41.39 3cf3 h LEU 253 CO -0.00 -0.26 -0.41 0.40 -0.62 0.00 0.00 178.44 177.56 3cf3 h ILE 254 N -0.05 0.15 -0.99 4.05 2.04 -1.39 -0.81 117.51 120.50 3cf3 h ILE 254 Ca 0.15 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.23 3cf3 h ILE 254 Cb 0.44 0.15 -0.12 0.00 -0.74 0.00 0.00 36.82 36.56 3cf3 h ILE 254 CO -0.89 0.00 0.59 0.00 0.00 0.00 0.00 178.15 177.84 3cf3 h ALA 255 N 0.32 1.70 -0.07 1.87 0.00 -0.77 -0.43 119.26 121.87 3cf3 h ALA 255 Ca 0.11 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3cf3 h ALA 255 Cb 0.60 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3cf3 h ALA 255 CO -0.47 -0.16 -0.19 -0.09 0.00 0.00 0.00 179.25 178.33 3cf3 h ARG 256 N 0.66 0.26 -0.08 0.00 2.43 -0.30 -3.14 114.38 114.21 3cf3 h ARG 256 Ca 0.61 -0.18 0.02 0.00 -0.81 0.00 0.00 59.98 59.62 3cf3 h ARG 256 Cb 1.04 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3cf3 h ARG 256 CO -0.43 0.79 0.09 0.00 -1.51 0.00 0.00 179.97 178.91 3cf3 h ALA 257 N 0.46 1.69 -0.10 2.80 0.00 -0.17 -0.91 119.26 123.02 3cf3 h ALA 257 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3cf3 h ALA 257 Cb 0.81 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3cf3 h ALA 257 CO 0.04 -0.13 -0.01 0.28 0.00 0.00 0.00 179.25 179.43 3cf3 h VAL 258 N 0.00 1.27 -0.03 0.00 2.07 -1.07 -2.20 116.25 116.29 3cf3 h VAL 258 Ca 0.04 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 3cf3 h VAL 258 Cb 0.21 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3cf3 h VAL 258 CO -0.00 0.25 -0.01 0.00 0.02 0.00 0.00 177.57 177.83 3cf3 h ALA 259 N 0.71 0.04 -0.08 1.67 0.00 -1.24 -2.59 119.26 117.77 3cf3 h ALA 259 Ca 0.03 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3cf3 h ALA 259 Cb 0.39 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3cf3 h ALA 259 CO 0.01 -0.23 0.07 -0.91 0.00 0.00 0.00 179.25 178.18 3cf3 h ASN 260 N -0.33 0.00 0.63 0.00 2.35 -1.28 0.12 115.58 117.07 3cf3 h ASN 260 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3cf3 h ASN 260 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3cf3 h ASN 260 CO 0.00 0.00 -0.37 1.21 -1.65 0.00 0.00 177.43 176.63 3cf3 n GLU 261 N -4.25 0.00 -0.02 0.81 4.07 -0.83 -3.57 120.64 116.85 3cf3 n GLU 261 Ca -0.01 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.10 3cf3 n GLU 261 Cb 0.18 -1.50 0.02 0.00 -0.06 0.00 0.00 31.44 30.08 3cf3 n GLU 261 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3cf3 n THR 262 N -1.50 0.69 0.00 6.31 -2.24 -0.32 -4.38 114.28 112.83 3cf3 n THR 262 Ca 0.06 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 3cf3 n THR 262 Cb 0.34 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 3cf3 n THR 262 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cf3 n GLY 263 N -0.17 1.34 3.62 3.38 0.00 0.26 -4.89 105.19 108.73 3cf3 n GLY 263 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3cf3 n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cf3 n ALA 264 N 0.55 0.06 -1.78 4.61 0.00 -1.00 -4.94 120.51 118.01 3cf3 n ALA 264 Ca 0.00 -0.06 -0.36 0.00 0.00 0.00 0.00 53.44 53.03 3cf3 n ALA 264 Cb 0.00 -2.11 -0.01 0.00 0.00 0.00 0.00 19.45 17.33 3cf3 n ALA 264 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3cf3 s PHE 265 N -1.60 2.81 -0.18 0.00 5.36 -0.24 -4.51 117.98 119.62 3cf3 s PHE 265 Ca 0.76 1.55 -0.00 0.00 -0.96 0.00 0.00 56.93 58.28 3cf3 s PHE 265 Cb -0.39 -3.28 0.04 0.00 -0.34 0.00 0.00 43.02 39.06 3cf3 s PHE 265 CO 0.47 -1.40 -0.06 0.12 -1.46 0.00 0.00 175.22 172.90 3cf3 s PHE 266 N -1.72 1.85 -0.25 10.12 5.36 -1.26 -0.97 117.98 131.11 3cf3 s PHE 266 Ca 0.68 -1.22 -0.01 0.00 -0.96 0.00 0.00 56.93 55.43 3cf3 s PHE 266 Cb -0.24 -1.38 0.03 0.00 -0.34 0.00 0.00 43.02 41.09 3cf3 s PHE 266 CO 0.28 -0.65 -0.08 0.12 -1.46 0.00 0.00 175.22 173.43 3cf3 s PHE 267 N 1.58 3.09 -0.02 10.12 5.36 -1.20 -4.99 117.98 131.92 3cf3 s PHE 267 Ca -0.00 -1.72 -0.23 0.00 -0.96 0.00 0.00 56.93 54.01 3cf3 s PHE 267 Cb -0.16 -2.03 -0.05 0.00 -0.34 0.00 0.00 43.02 40.45 3cf3 s PHE 267 CO -0.08 -0.77 0.70 -1.17 -1.46 0.00 0.00 175.22 172.44 3cf3 s LEU 268 N 1.28 4.38 -0.26 6.12 2.96 -1.26 -1.15 118.68 130.75 3cf3 s LEU 268 Ca -0.01 1.27 0.02 0.00 -0.22 0.00 0.00 54.13 55.18 3cf3 s LEU 268 Cb -0.17 -3.10 0.07 0.00 0.50 0.00 0.00 46.19 43.49 3cf3 s LEU 268 CO -0.05 -0.03 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.28 3cf3 s ILE 269 N 0.31 1.77 0.35 6.68 1.01 -0.42 -4.96 121.20 125.95 3cf3 s ILE 269 Ca 0.37 -1.50 -0.21 0.00 0.00 0.00 0.00 60.65 59.30 3cf3 s ILE 269 Cb -0.19 -2.04 -0.10 0.00 0.01 0.00 0.00 42.46 40.14 3cf3 s ILE 269 CO 0.20 -0.18 0.89 0.21 0.00 0.00 0.00 174.94 176.05 3cf3 s ASN 270 N 1.26 7.05 0.00 3.58 3.84 -1.26 0.30 114.94 129.71 3cf3 s ASN 270 Ca -0.04 1.64 0.00 0.00 0.21 0.00 0.00 52.86 54.67 3cf3 s ASN 270 Cb -0.19 -2.51 0.00 0.00 -0.55 0.00 0.00 41.25 38.00 3cf3 s ASN 270 CO -0.07 -0.20 0.70 0.61 -2.79 0.00 0.00 177.10 175.35 3cf3 n GLY 271 N -0.06 -2.28 0.24 1.21 0.00 -1.26 -2.99 105.19 100.05 3cf3 n GLY 271 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 3cf3 n GLY 271 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3cf3 h PRO 272 N 0.00 0.00 -0.20 1.61 0.11 -1.94 -1.42 132.00 130.16 3cf3 h PRO 272 Ca 0.00 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.12 3cf3 h PRO 272 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3cf3 h PRO 272 CO 0.00 0.00 0.11 1.49 -0.21 0.00 0.00 178.00 179.39 3cf3 h GLU 273 N 0.00 0.23 0.00 1.05 4.57 -1.94 -0.73 114.58 117.76 3cf3 h GLU 273 Ca 0.00 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.07 3cf3 h GLU 273 Cb 0.24 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 3cf3 h GLU 273 CO 0.00 0.15 -0.76 0.82 -1.18 0.00 0.00 179.01 178.04 3cf3 h ILE 274 N 0.23 0.53 -0.37 2.32 1.08 -1.17 -3.23 117.51 116.90 3cf3 h ILE 274 Ca 0.08 -1.83 0.00 0.00 -0.39 0.00 0.00 64.86 62.72 3cf3 h ILE 274 Cb 0.00 2.13 0.00 0.00 -3.07 0.00 0.00 36.82 35.89 3cf3 h ILE 274 CO -0.04 0.30 0.00 0.23 -0.69 0.00 0.00 178.15 177.95 3cf3 n MET 275 N -3.04 1.93 -0.07 2.37 2.81 -0.96 -3.44 117.12 116.71 3cf3 n MET 275 Ca -0.01 -1.36 -0.08 0.00 -1.81 0.00 0.00 57.70 54.43 3cf3 n MET 275 Cb 0.71 -1.32 -0.11 0.00 -0.71 0.00 0.00 33.22 31.79 3cf3 n MET 275 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3cf3 n SER 276 N 0.58 1.75 -4.77 7.83 3.41 -0.29 -4.98 113.62 117.15 3cf3 n SER 276 Ca 0.13 -0.02 -0.41 0.00 -0.26 0.00 0.00 58.87 58.31 3cf3 n SER 276 Cb 0.34 0.63 -0.01 0.00 -0.26 0.00 0.00 64.21 64.90 3cf3 n SER 276 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3cf3 s LYS 277 N -2.34 4.22 0.40 4.33 -0.14 -1.22 -4.93 119.74 120.06 3cf3 s LYS 277 Ca -0.10 2.41 -0.23 0.00 -1.36 0.00 0.00 55.97 56.69 3cf3 s LYS 277 Cb 0.05 -3.03 -0.13 0.00 -1.68 0.00 0.00 37.83 33.04 3cf3 s LYS 277 CO 0.54 -0.41 0.55 1.28 -0.76 0.00 0.00 175.35 176.56 3cf3 n LEU 278 N 0.98 -0.11 -4.68 3.17 4.77 -1.26 -4.49 117.00 115.38 3cf3 n LEU 278 Ca 0.02 0.93 -0.48 0.00 -0.03 0.00 0.00 56.01 56.45 3cf3 n LEU 278 Cb 0.40 -1.11 -0.05 0.00 -2.33 0.00 0.00 43.42 40.34 3cf3 n LEU 278 CO 0.62 -2.86 1.47 0.00 -1.33 0.00 0.00 177.39 175.28 3cf3 n ALA 279 N -0.77 0.99 0.00 -1.18 0.00 -1.26 -1.31 120.51 116.99 3cf3 n ALA 279 Ca 0.12 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3cf3 n ALA 279 Cb 0.38 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.34 3cf3 n ALA 279 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cf3 n GLY 280 N 4.31 3.18 0.13 0.00 0.00 -1.26 -4.77 105.19 106.78 3cf3 n GLY 280 Ca 0.22 -0.97 0.13 0.00 0.00 0.00 0.00 46.02 45.40 3cf3 n GLY 280 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3cf3 h GLU 281 N 0.00 0.00 0.51 1.61 4.81 -1.51 -3.14 114.58 116.85 3cf3 h GLU 281 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3cf3 h GLU 281 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3cf3 h GLU 281 CO 0.00 0.00 -0.24 1.03 -0.73 0.00 0.00 179.01 179.07 3cf3 h SER 282 N 0.00 -0.58 0.00 1.04 0.87 -1.71 -1.50 113.55 111.67 3cf3 h SER 282 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3cf3 h SER 282 Cb 0.60 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 3cf3 h SER 282 CO 0.00 -0.18 0.17 -0.33 -0.53 0.00 0.00 176.83 175.96 3cf3 h GLU 283 N -1.15 0.00 0.03 2.24 3.07 -1.88 -0.81 114.58 116.08 3cf3 h GLU 283 Ca -0.07 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3cf3 h GLU 283 Cb 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 3cf3 h GLU 283 CO 0.11 0.00 -0.01 1.03 -1.40 0.00 0.00 179.01 178.74 3cf3 h SER 284 N 0.00 -0.03 -0.64 1.42 0.87 -1.44 -3.06 113.55 110.66 3cf3 h SER 284 Ca 0.00 -0.70 0.03 0.00 -1.23 0.00 0.00 61.79 59.90 3cf3 h SER 284 Cb 0.34 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 3cf3 h SER 284 CO 0.00 0.76 0.39 0.78 -0.53 0.00 0.00 176.83 178.23 3cf3 h ASN 285 N -0.90 0.63 0.96 6.23 -0.26 -0.09 0.25 115.58 122.40 3cf3 h ASN 285 Ca -0.00 0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 3cf3 h ASN 285 Cb 0.73 -0.13 0.01 0.00 -1.06 0.00 0.00 38.32 37.87 3cf3 h ASN 285 CO 0.01 0.44 -0.46 -0.07 -1.06 0.00 0.00 177.43 176.28 3cf3 h LEU 286 N 0.77 -1.09 -0.46 1.61 3.38 -1.63 0.97 115.31 118.85 3cf3 h LEU 286 Ca 0.26 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.36 3cf3 h LEU 286 Cb 0.04 0.28 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 3cf3 h LEU 286 CO -0.11 -0.76 -0.11 0.03 0.09 0.00 0.00 178.44 177.58 3cf3 h ARG 287 N -1.32 0.01 -0.93 1.13 3.08 -1.49 -0.17 114.38 114.69 3cf3 h ARG 287 Ca -0.13 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.98 3cf3 h ARG 287 Cb 0.98 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.97 3cf3 h ARG 287 CO 0.22 0.01 0.61 -0.22 -1.07 0.00 0.00 179.97 179.51 3cf3 h LYS 288 N 0.01 1.04 0.61 0.04 3.64 -0.27 -1.51 116.57 120.13 3cf3 h LYS 288 Ca 0.22 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 3cf3 h LYS 288 Cb 0.34 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3cf3 h LYS 288 CO -0.47 0.69 -0.29 0.00 -2.27 0.00 0.00 179.45 177.10 3cf3 h ALA 289 N 1.49 -0.87 -0.38 5.00 0.00 0.25 -2.51 119.26 122.25 3cf3 h ALA 289 Ca 0.40 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.19 3cf3 h ALA 289 Cb 0.18 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.21 3cf3 h ALA 289 CO -0.15 -0.81 -0.43 0.74 0.00 0.00 0.00 179.25 178.59 3cf3 h PHE 290 N -1.15 -1.27 -0.78 0.00 -1.00 -1.03 0.22 116.94 111.93 3cf3 h PHE 290 Ca -0.08 0.07 0.18 0.00 2.81 0.00 0.00 57.97 60.94 3cf3 h PHE 290 Cb 0.63 0.61 -0.14 0.00 3.61 0.00 0.00 35.95 40.66 3cf3 h PHE 290 CO 0.01 -0.45 0.01 1.49 -1.61 0.00 0.00 178.31 177.76 3cf3 h GLU 291 N -0.35 0.09 0.00 1.51 4.81 -1.34 0.20 114.58 119.51 3cf3 h GLU 291 Ca 0.13 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3cf3 h GLU 291 Cb 0.59 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3cf3 h GLU 291 CO -0.56 0.06 0.00 1.49 -0.73 0.00 0.00 179.01 179.28 3cf3 h GLU 292 N 0.10 0.00 0.00 1.92 4.81 -0.65 -2.78 114.58 117.98 3cf3 h GLU 292 Ca 0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 3cf3 h GLU 292 Cb 0.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 3cf3 h GLU 292 CO -0.69 0.00 -0.55 0.00 -0.73 0.00 0.00 179.01 177.04 3cf3 h ALA 293 N 2.02 0.69 0.00 2.92 0.00 0.12 -3.25 119.26 121.77 3cf3 h ALA 293 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3cf3 h ALA 293 Cb 0.69 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3cf3 h ALA 293 CO 0.00 0.00 -0.82 1.49 0.00 0.00 0.00 179.25 179.92 3cf3 h GLU 294 N 0.00 0.00 -0.13 0.00 4.81 -0.92 -3.12 114.58 115.22 3cf3 h GLU 294 Ca 0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 3cf3 h GLU 294 Cb 0.89 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 3cf3 h GLU 294 CO 0.00 0.67 -0.34 0.87 -0.73 0.00 0.00 179.01 179.48 3cf3 h LYS 295 N 0.00 0.26 -0.28 1.92 1.57 -1.56 -3.18 116.57 115.29 3cf3 h LYS 295 Ca -0.03 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3cf3 h LYS 295 Cb 1.57 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.87 3cf3 h LYS 295 CO 0.09 0.57 0.00 0.09 -0.57 0.00 0.00 179.45 179.63 3cf3 n ASN 296 N -4.09 2.88 -4.22 0.86 4.13 -1.24 -5.03 115.26 108.55 3cf3 n ASN 296 Ca -0.01 -1.85 -0.38 0.00 1.68 0.00 0.00 54.58 54.02 3cf3 n ASN 296 Cb 0.43 -0.18 0.03 0.00 -1.54 0.00 0.00 39.78 38.51 3cf3 n ASN 296 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3cf3 n ALA 297 N 0.93 -3.42 -1.71 5.41 0.00 -1.18 -4.58 120.51 115.96 3cf3 n ALA 297 Ca 0.13 -0.23 -0.37 0.00 0.00 0.00 0.00 53.44 52.97 3cf3 n ALA 297 Cb 0.46 -1.41 0.06 0.00 0.00 0.00 0.00 19.45 18.56 3cf3 n ALA 297 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3cf3 n PRO 298 N 1.42 1.19 -3.55 0.00 -0.02 -1.26 -4.97 135.00 127.82 3cf3 n PRO 298 Ca 0.06 0.46 -0.11 0.00 -2.02 0.00 0.00 63.50 61.89 3cf3 n PRO 298 Cb 0.50 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 3cf3 n PRO 298 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cf3 s ALA 299 N -1.38 -1.44 -0.58 3.55 0.00 -1.22 -1.08 121.76 119.61 3cf3 s ALA 299 Ca 0.80 0.24 0.04 0.00 0.00 0.00 0.00 51.96 53.04 3cf3 s ALA 299 Cb -0.39 0.87 0.15 0.00 0.00 0.00 0.00 23.12 23.74 3cf3 s ALA 299 CO 0.43 -0.82 0.35 0.42 0.00 0.00 0.00 175.76 176.14 3cf3 s ILE 300 N -3.80 2.44 -0.27 0.00 1.01 -0.15 -1.10 121.20 119.33 3cf3 s ILE 300 Ca 0.04 -3.57 -0.29 0.00 0.00 0.00 0.00 60.65 56.83 3cf3 s ILE 300 Cb -0.02 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 3cf3 s ILE 300 CO -0.08 -0.92 1.83 -0.63 0.00 0.00 0.00 174.94 175.14 3cf3 s ILE 301 N -0.66 3.43 -0.38 2.92 1.01 -0.62 -3.27 121.20 123.63 3cf3 s ILE 301 Ca 0.21 0.46 -0.07 0.00 0.00 0.00 0.00 60.65 61.25 3cf3 s ILE 301 Cb -0.16 -3.54 0.07 0.00 0.01 0.00 0.00 42.46 38.84 3cf3 s ILE 301 CO -0.08 -0.31 0.18 0.12 0.00 0.00 0.00 174.94 174.86 3cf3 s PHE 302 N 6.63 3.33 -0.07 3.97 5.36 -0.30 -1.23 117.98 135.68 3cf3 s PHE 302 Ca 0.82 -1.61 -0.30 0.00 -0.96 0.00 0.00 56.93 54.88 3cf3 s PHE 302 Cb -0.25 -2.69 -0.02 0.00 -0.34 0.00 0.00 43.02 39.71 3cf3 s PHE 302 CO 0.33 -0.81 0.99 0.42 -1.46 0.00 0.00 175.22 174.69 3cf3 s ILE 303 N 1.38 4.82 0.00 3.12 1.01 -0.21 -1.30 121.20 130.01 3cf3 s ILE 303 Ca 0.02 2.04 0.00 0.00 0.00 0.00 0.00 60.65 62.71 3cf3 s ILE 303 Cb -0.21 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 37.94 3cf3 s ILE 303 CO 0.01 0.06 0.01 -0.67 0.00 0.00 0.00 174.94 174.36 3cf3 n ASP 304 N 4.61 0.00 -2.84 3.58 2.03 0.15 -2.91 116.55 121.16 3cf3 n ASP 304 Ca 0.08 0.01 -0.29 0.00 0.52 0.00 0.00 54.79 55.10 3cf3 n ASP 304 Cb 0.50 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.82 3cf3 n ASP 304 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3cf3 n GLU 305 N -0.05 3.15 -0.27 -0.67 1.02 -1.26 -3.65 120.64 118.91 3cf3 n GLU 305 Ca 0.00 -1.93 -0.03 0.00 -0.02 0.00 0.00 57.16 55.17 3cf3 n GLU 305 Cb 0.00 -2.48 -0.01 0.00 -0.02 0.00 0.00 31.44 28.93 3cf3 n GLU 305 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3cf3 n LEU 306 N 2.88 -0.55 -0.33 -4.62 7.94 -1.14 -0.09 117.00 121.09 3cf3 n LEU 306 Ca 0.64 1.19 0.24 0.00 -1.11 0.00 0.00 56.01 56.97 3cf3 n LEU 306 Cb 0.48 -0.23 0.52 0.00 0.53 0.00 0.00 43.42 44.72 3cf3 n LEU 306 CO 0.57 -1.03 1.22 -2.24 -1.11 0.00 0.00 177.39 174.79 3cf3 h ASP 307 N 0.00 0.43 0.12 1.96 3.04 -1.83 0.16 116.42 120.30 3cf3 h ASP 307 Ca 0.19 0.09 -0.02 0.00 -3.24 0.00 0.00 57.03 54.05 3cf3 h ASP 307 Cb 0.36 0.02 -0.00 0.00 -1.04 0.00 0.00 39.33 38.67 3cf3 h ASP 307 CO -0.66 0.06 -0.09 0.00 -2.04 0.00 0.00 179.24 176.51 3cf3 h ALA 308 N 1.62 1.69 0.00 4.15 0.00 -0.89 -3.05 119.26 122.79 3cf3 h ALA 308 Ca 0.62 -0.08 -0.25 0.00 0.00 0.00 0.00 54.91 55.20 3cf3 h ALA 308 Cb 1.60 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.33 3cf3 h ALA 308 CO -0.31 0.11 -2.11 -0.89 0.00 0.00 0.00 179.25 176.05 3cf3 n ILE 309 N -4.20 0.94 -3.29 0.00 5.41 0.36 -4.75 119.36 113.82 3cf3 n ILE 309 Ca -0.03 -0.66 -0.25 0.00 1.00 0.00 0.00 62.75 62.80 3cf3 n ILE 309 Cb 0.17 -0.42 -0.07 0.00 -0.71 0.00 0.00 39.64 38.61 3cf3 n ILE 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3cf3 n ALA 310 N -2.53 3.38 -0.64 -1.39 0.00 -0.13 -4.30 120.51 114.90 3cf3 n ALA 310 Ca -0.23 -4.18 0.07 0.00 0.00 0.00 0.00 53.44 49.11 3cf3 n ALA 310 Cb 0.94 -0.86 0.22 0.00 0.00 0.00 0.00 19.45 19.76 3cf3 n ALA 310 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3cf3 n PRO 311 N 0.98 2.99 -0.24 0.00 -0.04 -1.16 -1.94 135.00 135.59 3cf3 n PRO 311 Ca 0.26 -2.53 -0.00 0.00 -0.04 0.00 0.00 63.50 61.20 3cf3 n PRO 311 Cb 0.47 -1.62 -0.00 0.00 -0.04 0.00 0.00 33.50 32.31 3cf3 n PRO 311 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3cf3 n LYS 312 N 0.02 0.00 0.00 0.54 4.81 -1.26 -4.43 118.16 117.83 3cf3 n LYS 312 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 3cf3 n LYS 312 Cb 0.71 -0.24 0.00 0.00 0.02 0.00 0.00 35.03 35.52 3cf3 n LYS 312 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3cf3 n ARG 313 N 1.08 2.25 0.18 1.64 0.63 -1.26 -4.57 116.66 116.61 3cf3 n ARG 313 Ca 0.00 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.96 3cf3 n ARG 313 Cb 0.12 0.00 0.36 0.00 0.45 0.00 0.00 32.46 33.39 3cf3 n ARG 313 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3cf3 h GLU 314 N 0.00 0.03 0.00 -0.14 3.07 -1.99 -1.85 114.58 113.71 3cf3 h GLU 314 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3cf3 h GLU 314 Cb 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3cf3 h GLU 314 CO 0.00 0.38 0.00 1.63 -1.40 0.00 0.00 179.01 179.62 3cf3 n LYS 315 N -4.12 0.34 -2.19 2.33 5.02 -1.26 -4.56 118.16 113.73 3cf3 n LYS 315 Ca -0.02 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.96 3cf3 n LYS 315 Cb 0.39 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 33.89 3cf3 n LYS 315 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3cf3 s THR 316 N -2.00 3.68 -0.17 -0.18 -1.32 -0.70 -4.91 115.64 110.04 3cf3 s THR 316 Ca 0.15 -1.14 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 3cf3 s THR 316 Cb 0.07 -4.71 0.04 0.00 -1.51 0.00 0.00 72.50 66.38 3cf3 s THR 316 CO 0.12 -1.24 -0.09 -2.28 -2.21 0.00 0.00 174.62 168.91 3cf3 s HIS 317 N 9.38 2.10 0.00 9.09 5.04 -1.26 -4.98 115.29 134.66 3cf3 s HIS 317 Ca 0.65 -1.32 0.00 0.00 -1.54 0.00 0.00 55.06 52.85 3cf3 s HIS 317 Cb 0.00 -1.51 0.00 0.00 0.04 0.00 0.00 32.58 31.11 3cf3 s HIS 317 CO 0.12 -0.68 0.00 0.41 -2.34 0.00 0.00 174.74 172.25 3cf3 n GLY 318 N 4.77 3.92 0.07 1.59 0.00 -1.26 -4.74 105.19 109.54 3cf3 n GLY 318 Ca -0.14 -1.67 -0.03 0.00 0.00 0.00 0.00 46.02 44.17 3cf3 n GLY 318 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3cf3 h GLU 319 N 0.00 -0.05 -0.11 1.61 4.57 -1.99 -3.06 114.58 115.55 3cf3 h GLU 319 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3cf3 h GLU 319 Cb 0.00 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 3cf3 h GLU 319 CO 0.00 0.13 -0.15 0.28 -1.18 0.00 0.00 179.01 178.09 3cf3 h VAL 320 N -1.01 0.00 -0.82 0.32 2.07 -1.99 0.17 116.25 115.00 3cf3 h VAL 320 Ca -0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 3cf3 h VAL 320 Cb 0.20 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.85 3cf3 h VAL 320 CO 0.01 0.00 -0.39 -0.62 0.02 0.00 0.00 177.57 176.59 3cf3 n GLU 321 N -3.43 -0.27 0.41 1.57 -0.58 -1.26 -1.17 120.64 115.91 3cf3 n GLU 321 Ca -0.01 1.25 -0.19 0.00 -0.42 0.00 0.00 57.16 57.80 3cf3 n GLU 321 Cb 0.09 -1.85 -0.09 0.00 -0.57 0.00 0.00 31.44 29.02 3cf3 n GLU 321 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3cf3 h ARG 322 N 0.00 -1.02 -0.91 3.49 3.08 -1.22 -3.01 114.38 114.79 3cf3 h ARG 322 Ca 0.22 0.07 0.22 0.00 0.07 0.00 0.00 59.98 60.56 3cf3 h ARG 322 Cb 0.42 0.23 -0.06 0.00 0.08 0.00 0.00 29.97 30.64 3cf3 h ARG 322 CO -0.80 -0.68 0.62 -0.09 -1.07 0.00 0.00 179.97 177.95 3cf3 h ARG 323 N -1.05 0.29 -0.29 0.04 2.43 0.53 -1.55 114.38 114.78 3cf3 h ARG 323 Ca -0.10 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 3cf3 h ARG 323 Cb 0.83 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 3cf3 h ARG 323 CO 0.14 0.19 0.11 0.82 -1.51 0.00 0.00 179.97 179.72 3cf3 h ILE 324 N 0.30 1.19 -0.66 1.20 2.04 -1.04 -0.56 117.51 119.98 3cf3 h ILE 324 Ca 0.47 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 3cf3 h ILE 324 Cb 1.34 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 3cf3 h ILE 324 CO -0.15 0.20 0.39 0.58 0.00 0.00 0.00 178.15 179.17 3cf3 h VAL 325 N 0.32 1.19 -0.22 1.67 2.07 -1.25 -2.56 116.25 117.47 3cf3 h VAL 325 Ca 0.10 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 3cf3 h VAL 325 Cb 0.20 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3cf3 h VAL 325 CO -0.01 0.20 0.12 0.28 0.02 0.00 0.00 177.57 178.19 3cf3 h SER 326 N 0.90 0.27 -0.97 0.57 0.02 -1.31 -2.39 113.55 110.64 3cf3 h SER 326 Ca 0.24 -0.08 0.28 0.00 -0.84 0.00 0.00 61.79 61.38 3cf3 h SER 326 Cb -0.02 -0.07 -0.14 0.00 0.14 0.00 0.00 62.40 62.31 3cf3 h SER 326 CO -0.04 0.28 0.49 -0.61 -1.14 0.00 0.00 176.83 175.80 3cf3 h GLN 327 N 0.24 0.34 0.25 3.45 5.75 -0.70 -1.65 115.11 122.80 3cf3 h GLN 327 Ca 0.08 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 3cf3 h GLN 327 Cb 0.07 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.54 3cf3 h GLN 327 CO -0.01 0.23 -0.12 1.25 -2.65 0.00 0.00 178.83 177.52 3cf3 h LEU 328 N 0.35 -0.28 -1.49 -2.39 5.85 -1.23 -2.97 115.31 113.14 3cf3 h LEU 328 Ca 0.66 -0.25 0.32 0.00 0.84 0.00 0.00 57.88 59.46 3cf3 h LEU 328 Cb 1.42 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 42.43 3cf3 h LEU 328 CO -0.59 0.20 0.75 -0.07 -0.34 0.00 0.00 178.44 178.40 3cf3 h LEU 329 N -0.88 0.31 -0.39 2.25 3.38 -0.86 2.20 115.31 121.33 3cf3 h LEU 329 Ca -0.03 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3cf3 h LEU 329 Cb 0.51 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3cf3 h LEU 329 CO 0.06 0.01 0.00 0.74 0.09 0.00 0.00 178.44 179.33 3cf3 h THR 330 N 0.25 0.00 0.00 0.22 2.02 -1.36 -2.33 112.91 111.71 3cf3 h THR 330 Ca 0.65 -0.67 -0.36 0.00 0.77 0.00 0.00 66.41 66.80 3cf3 h THR 330 Cb 1.92 1.64 -0.06 0.00 -1.74 0.00 0.00 68.15 69.91 3cf3 h THR 330 CO -0.27 0.00 -2.25 0.18 0.37 0.00 0.00 175.52 173.55 3cf3 n LEU 331 N -2.78 0.48 -0.12 2.58 4.77 0.63 -1.11 117.00 121.45 3cf3 n LEU 331 Ca 0.03 0.08 -0.09 0.00 -0.03 0.00 0.00 56.01 56.00 3cf3 n LEU 331 Cb 0.42 0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.78 3cf3 n LEU 331 CO 0.30 0.52 0.90 0.24 -1.33 0.00 0.00 177.39 178.02 3cf3 h MET 332 N 0.00 0.56 0.08 3.23 2.86 0.20 -1.80 114.93 120.06 3cf3 h MET 332 Ca -0.50 -0.11 -0.26 0.00 -2.06 0.00 0.00 59.70 56.78 3cf3 h MET 332 Cb 2.17 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 33.75 3cf3 h MET 332 CO 0.03 0.55 -1.12 -0.44 1.06 0.00 0.00 176.91 177.00 3cf3 h ASP 333 N 0.44 0.50 0.00 1.22 3.32 -1.59 -3.23 116.42 117.08 3cf3 h ASP 333 Ca 0.12 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3cf3 h ASP 333 Cb 0.21 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3cf3 h ASP 333 CO -0.01 1.32 0.82 1.23 -1.72 0.00 0.00 179.24 180.88 3cf3 h GLY 334 N 1.33 0.00 -7.44 2.75 0.00 -0.25 -3.38 103.07 96.08 3cf3 h GLY 334 Ca -0.12 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.03 3cf3 h GLY 334 CO 0.19 0.00 0.66 1.04 0.00 0.00 0.00 176.54 178.43 3cf3 n LEU 335 N -2.46 1.97 0.00 3.11 4.77 -0.99 -4.68 117.00 118.71 3cf3 n LEU 335 Ca -0.00 -1.10 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 3cf3 n LEU 335 Cb 0.83 -1.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 3cf3 n LEU 335 CO 0.03 -2.22 0.21 0.29 -1.33 0.00 0.00 177.39 174.37 3cf3 n LYS 336 N 8.86 0.00 0.00 3.23 5.02 -1.26 -4.58 118.16 129.42 3cf3 n LYS 336 Ca 0.44 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 3cf3 n LYS 336 Cb 0.47 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 3cf3 n LYS 336 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3cf3 n GLN 337 N -0.77 0.00 0.05 1.97 -0.06 -1.26 -4.27 117.38 113.04 3cf3 n GLN 337 Ca 0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 54.88 3cf3 n GLN 337 Cb 0.15 -0.74 -0.07 0.00 -4.06 0.00 0.00 30.24 25.53 3cf3 n GLN 337 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3cf3 h ARG 338 N 0.00 -0.05 -6.34 3.69 3.08 -1.97 -3.41 114.38 109.37 3cf3 h ARG 338 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.51 3cf3 h ARG 338 Cb 0.00 0.01 0.22 0.00 0.08 0.00 0.00 29.97 30.29 3cf3 h ARG 338 CO 0.00 -0.03 -1.25 0.00 -1.07 0.00 0.00 179.97 177.62 3cf3 n ALA 339 N -2.14 -4.03 -3.32 0.04 0.00 -1.26 -4.93 120.51 104.87 3cf3 n ALA 339 Ca -0.07 -0.60 -0.26 0.00 0.00 0.00 0.00 53.44 52.51 3cf3 n ALA 339 Cb 0.06 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 17.98 3cf3 n ALA 339 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3cf3 n HIS 340 N -2.87 1.68 -4.33 0.00 -0.00 -1.26 -4.90 115.22 103.54 3cf3 n HIS 340 Ca 0.03 -3.87 -0.18 0.00 0.46 0.00 0.00 57.72 54.16 3cf3 n HIS 340 Cb 0.54 -0.45 -0.09 0.00 -0.12 0.00 0.00 29.99 29.87 3cf3 n HIS 340 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 3cf3 s VAL 341 N -1.82 0.39 -0.04 3.57 -7.23 -1.26 -3.38 120.40 110.62 3cf3 s VAL 341 Ca 0.37 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.54 3cf3 s VAL 341 Cb 0.16 -2.54 0.03 0.00 0.56 0.00 0.00 36.38 34.58 3cf3 s VAL 341 CO -0.06 0.00 0.01 -0.63 -0.31 0.00 0.00 175.10 174.11 3cf3 s ILE 342 N -3.64 0.19 -0.53 -0.62 1.01 -0.26 -4.92 121.20 112.44 3cf3 s ILE 342 Ca 0.36 0.14 -0.18 0.00 0.00 0.00 0.00 60.65 60.97 3cf3 s ILE 342 Cb 0.06 -0.32 0.08 0.00 0.01 0.00 0.00 42.46 42.28 3cf3 s ILE 342 CO 0.16 0.18 0.60 -0.69 0.00 0.00 0.00 174.94 175.19 3cf3 s VAL 343 N 1.41 4.95 -0.00 2.92 1.01 -0.86 -1.59 120.40 128.23 3cf3 s VAL 343 Ca -0.04 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 60.96 3cf3 s VAL 343 Cb -0.13 -4.34 -0.05 0.00 0.00 0.00 0.00 36.38 31.86 3cf3 s VAL 343 CO -0.03 -0.88 0.36 -0.04 0.00 0.00 0.00 175.10 174.51 3cf3 s MET 344 N 2.38 3.81 0.20 2.72 -1.94 -0.36 -1.97 119.30 124.14 3cf3 s MET 344 Ca 0.11 0.28 0.01 0.00 -1.71 0.00 0.00 55.69 54.37 3cf3 s MET 344 Cb -0.23 -3.17 -0.05 0.00 2.01 0.00 0.00 34.83 33.39 3cf3 s MET 344 CO 0.08 0.68 0.07 0.00 -0.01 0.00 0.00 175.02 175.84 3cf3 s ALA 345 N -1.13 1.35 0.02 3.03 0.00 -0.20 -1.05 121.76 123.78 3cf3 s ALA 345 Ca 0.24 -1.68 -0.04 0.00 0.00 0.00 0.00 51.96 50.48 3cf3 s ALA 345 Cb -0.15 0.93 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 3cf3 s ALA 345 CO 0.13 -0.45 0.05 0.00 0.00 0.00 0.00 175.76 175.49 3cf3 s ALA 346 N -3.86 -0.07 0.25 0.00 0.00 -1.14 0.26 121.76 117.20 3cf3 s ALA 346 Ca 0.31 -0.42 -0.19 0.00 0.00 0.00 0.00 51.96 51.66 3cf3 s ALA 346 Cb 0.07 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.36 3cf3 s ALA 346 CO 0.08 -0.20 0.64 -0.08 0.00 0.00 0.00 175.76 176.20 3cf3 s THR 347 N -1.64 0.00 -0.59 0.00 -1.32 -0.86 -2.88 115.64 108.35 3cf3 s THR 347 Ca -0.14 -0.93 0.25 0.00 -1.21 0.00 0.00 61.69 59.66 3cf3 s THR 347 Cb -0.07 -1.87 0.23 0.00 -1.51 0.00 0.00 72.50 69.27 3cf3 s THR 347 CO -0.01 -0.02 1.57 0.78 -2.21 0.00 0.00 174.62 174.74 3cf3 h ASN 348 N 2.07 0.00 0.00 8.08 -0.26 -1.88 -3.24 115.58 120.34 3cf3 h ASN 348 Ca -0.23 -0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.47 3cf3 h ASN 348 Cb 1.26 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.52 3cf3 h ASN 348 CO 0.28 0.02 0.00 -2.11 -1.06 0.00 0.00 177.43 174.57 3cf3 n ARG 349 N -2.49 0.00 -0.18 0.81 1.85 -1.26 -4.52 116.66 110.87 3cf3 n ARG 349 Ca 0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.87 3cf3 n ARG 349 Cb 0.47 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 31.92 3cf3 n ARG 349 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 3cf3 h PRO 350 N 0.00 -0.02 0.00 2.89 0.11 -1.99 -1.63 132.00 131.36 3cf3 h PRO 350 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3cf3 h PRO 350 Cb 0.00 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.12 3cf3 h PRO 350 CO 0.00 -0.02 0.00 0.09 -0.21 0.00 0.00 178.00 177.86 3cf3 n ASN 351 N -5.40 0.57 0.01 -2.05 4.13 -1.26 -2.88 115.26 108.37 3cf3 n ASN 351 Ca 0.06 0.71 -0.12 0.00 1.68 0.00 0.00 54.58 56.90 3cf3 n ASN 351 Cb 0.30 -0.80 -0.09 0.00 -1.54 0.00 0.00 39.78 37.64 3cf3 n ASN 351 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3cf3 h SER 352 N 0.00 -0.08 -1.31 6.41 0.02 -1.70 -3.47 113.55 113.43 3cf3 h SER 352 Ca 0.00 -0.49 -0.05 0.00 -0.84 0.00 0.00 61.79 60.41 3cf3 h SER 352 Cb 0.14 0.02 0.03 0.00 0.14 0.00 0.00 62.40 62.72 3cf3 h SER 352 CO 0.00 0.49 -0.02 -0.38 -1.14 0.00 0.00 176.83 175.78 3cf3 n ILE 353 N -4.86 0.00 -4.85 3.27 2.08 -1.14 -4.47 119.36 109.39 3cf3 n ILE 353 Ca -0.08 -0.01 -0.33 0.00 0.56 0.00 0.00 62.75 62.89 3cf3 n ILE 353 Cb 0.28 -0.24 -0.15 0.00 -0.75 0.00 0.00 39.64 38.79 3cf3 n ILE 353 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3cf3 s ASP 354 N -2.12 3.81 0.43 4.38 2.15 -0.82 -4.55 116.67 119.96 3cf3 s ASP 354 Ca 0.09 -0.38 0.21 0.00 0.43 0.00 0.00 52.55 52.90 3cf3 s ASP 354 Cb -0.01 -1.57 1.18 0.00 -0.30 0.00 0.00 42.92 42.21 3cf3 s ASP 354 CO 0.07 0.16 1.80 -0.65 -0.17 0.00 0.00 175.17 176.39 3cf3 h PRO 355 N 6.75 0.31 -0.41 4.34 0.11 -1.92 -1.95 132.00 139.22 3cf3 h PRO 355 Ca -0.25 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.96 3cf3 h PRO 355 Cb 1.22 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3cf3 h PRO 355 CO 0.54 0.21 0.33 0.00 -0.21 0.00 0.00 178.00 178.86 3cf3 h ALA 356 N 1.59 2.30 0.00 -0.75 0.00 -1.96 -0.62 119.26 119.82 3cf3 h ALA 356 Ca 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3cf3 h ALA 356 Cb 1.53 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3cf3 h ALA 356 CO -0.21 -0.54 0.00 1.28 0.00 0.00 0.00 179.25 179.78 3cf3 n LEU 357 N -4.23 0.43 0.13 0.00 4.77 -0.73 -2.89 117.00 114.48 3cf3 n LEU 357 Ca 0.07 0.58 0.06 0.00 -0.03 0.00 0.00 56.01 56.69 3cf3 n LEU 357 Cb 0.52 -0.49 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3cf3 n LEU 357 CO 0.34 -0.32 0.27 0.03 -1.33 0.00 0.00 177.39 176.38 3cf3 h ARG 358 N 0.00 0.00 -4.80 3.23 2.47 -1.29 -1.75 114.38 112.24 3cf3 h ARG 358 Ca 0.00 0.00 -0.68 0.00 -1.26 0.00 0.00 59.98 58.04 3cf3 h ARG 358 Cb 0.43 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.77 3cf3 h ARG 358 CO 0.00 0.22 0.36 0.54 0.56 0.00 0.00 179.97 181.65 3cf3 n ARG 359 N -2.99 0.00 -1.53 0.04 1.74 -1.14 -4.31 116.66 108.46 3cf3 n ARG 359 Ca -0.01 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.80 3cf3 n ARG 359 Cb 0.67 -1.20 -0.11 0.00 -1.02 0.00 0.00 32.46 30.80 3cf3 n ARG 359 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3cf3 n PHE 360 N 2.42 0.85 0.00 -1.55 3.01 -1.26 -1.43 117.46 119.50 3cf3 n PHE 360 Ca 0.21 0.11 0.00 0.00 1.01 0.00 0.00 57.45 58.78 3cf3 n PHE 360 Cb -0.00 -2.10 0.00 0.00 -0.01 0.00 0.00 39.48 37.36 3cf3 n PHE 360 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3cf3 n GLY 361 N 6.23 0.27 0.00 1.37 0.00 -1.26 -5.05 105.19 106.75 3cf3 n GLY 361 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.55 3cf3 n GLY 361 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cf3 n ARG 362 N 0.00 0.00 -3.07 1.61 1.74 -0.52 -4.77 116.66 111.65 3cf3 n ARG 362 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 3cf3 n ARG 362 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.45 3cf3 n ARG 362 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3cf3 n PHE 363 N 0.00 2.85 0.06 -1.55 3.72 -0.66 -1.34 117.46 120.53 3cf3 n PHE 363 Ca 0.00 -2.84 -0.06 0.00 -0.05 0.00 0.00 57.45 54.50 3cf3 n PHE 363 Cb 0.00 -1.35 -0.10 0.00 -0.94 0.00 0.00 39.48 37.09 3cf3 n PHE 363 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 3cf3 h ASP 364 N 5.67 0.00 -2.93 4.37 3.04 -1.75 -3.40 116.42 121.42 3cf3 h ASP 364 Ca 0.20 0.00 -0.65 0.00 -3.24 0.00 0.00 57.03 53.34 3cf3 h ASP 364 Cb 0.66 0.00 -0.10 0.00 -1.04 0.00 0.00 39.33 38.86 3cf3 h ASP 364 CO 1.27 0.93 -0.50 -0.13 -2.04 0.00 0.00 179.24 178.77 3cf3 s ARG 365 N -2.73 3.68 -0.01 4.15 1.81 -1.18 -5.05 118.95 119.62 3cf3 s ARG 365 Ca 0.01 -0.20 0.04 0.00 -1.72 0.00 0.00 55.73 53.86 3cf3 s ARG 365 Cb 0.09 -3.23 -0.01 0.00 -0.45 0.00 0.00 34.95 31.35 3cf3 s ARG 365 CO 0.81 0.59 -0.12 -1.21 -0.68 0.00 0.00 175.30 174.69 3cf3 s GLU 366 N -0.49 0.99 -0.05 3.54 2.02 -1.26 -1.64 118.70 121.80 3cf3 s GLU 366 Ca 0.12 -0.46 0.01 0.00 0.02 0.00 0.00 54.97 54.66 3cf3 s GLU 366 Cb -0.12 -0.95 0.02 0.00 0.10 0.00 0.00 34.13 33.18 3cf3 s GLU 366 CO 0.02 0.26 -0.07 0.08 0.02 0.00 0.00 175.26 175.57 3cf3 s VAL 367 N -0.33 0.73 -0.12 2.63 1.01 -0.62 -4.97 120.40 118.74 3cf3 s VAL 367 Ca 0.04 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 3cf3 s VAL 367 Cb -0.05 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 3cf3 s VAL 367 CO -0.00 0.27 0.13 -0.62 0.00 0.00 0.00 175.10 174.87 3cf3 s ASP 368 N 0.87 6.26 -0.51 3.32 2.15 -1.26 -0.51 116.67 126.98 3cf3 s ASP 368 Ca -0.12 0.42 0.07 0.00 0.43 0.00 0.00 52.55 53.35 3cf3 s ASP 368 Cb -0.15 -2.01 0.25 0.00 -0.30 0.00 0.00 42.92 40.71 3cf3 s ASP 368 CO 0.01 0.39 0.64 -0.38 -0.17 0.00 0.00 175.17 175.66 3cf3 n ILE 369 N 2.11 0.83 -0.28 4.11 5.41 -1.22 -4.90 119.36 125.41 3cf3 n ILE 369 Ca -0.20 -4.62 -0.25 0.00 1.00 0.00 0.00 62.75 58.68 3cf3 n ILE 369 Cb 0.55 -1.99 0.25 0.00 -0.71 0.00 0.00 39.64 37.73 3cf3 n ILE 369 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3cf3 n GLY 370 N 1.10 -3.41 3.53 7.39 0.00 -1.26 -4.56 105.19 107.97 3cf3 n GLY 370 Ca 0.25 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 3cf3 n GLY 370 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3cf3 s ILE 371 N -2.04 2.00 0.44 -0.61 -4.36 -1.26 -4.98 121.20 110.38 3cf3 s ILE 371 Ca 0.56 0.00 -0.18 0.00 -0.26 0.00 0.00 60.65 60.77 3cf3 s ILE 371 Cb -0.10 -2.00 -0.10 0.00 1.25 0.00 0.00 42.46 41.51 3cf3 s ILE 371 CO 0.47 -0.00 0.92 -2.84 0.24 0.00 0.00 174.94 173.72 3cf3 s PRO 372 N -4.47 4.09 0.00 0.37 0.02 -1.26 -4.96 135.00 128.79 3cf3 s PRO 372 Ca 0.68 0.97 0.00 0.00 0.02 0.00 0.00 61.00 62.67 3cf3 s PRO 372 Cb -0.25 -2.22 0.00 0.00 0.02 0.00 0.00 34.50 32.05 3cf3 s PRO 372 CO 0.63 -0.07 0.00 -0.40 -0.33 0.00 0.00 177.00 176.83 3cf3 n ASP 373 N -0.90 0.17 0.00 2.53 5.75 -1.26 -4.78 116.55 118.07 3cf3 n ASP 373 Ca 0.06 -0.51 0.00 0.00 -0.01 0.00 0.00 54.79 54.33 3cf3 n ASP 373 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 3cf3 n ASP 373 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3cf3 n ALA 374 N -3.00 -0.09 -0.26 2.12 0.00 -1.26 -1.87 120.51 116.14 3cf3 n ALA 374 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.75 3cf3 n ALA 374 Cb 0.00 0.17 0.72 0.00 0.00 0.00 0.00 19.45 20.34 3cf3 n ALA 374 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3cf3 h THR 375 N 0.00 0.48 0.00 0.00 2.02 -1.97 -2.79 112.91 110.65 3cf3 h THR 375 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3cf3 h THR 375 Cb 0.00 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 3cf3 h THR 375 CO 0.00 0.01 0.00 0.61 0.37 0.00 0.00 175.52 176.51 3cf3 n GLY 376 N -1.72 -2.36 0.33 2.16 0.00 -0.94 -1.39 105.19 101.26 3cf3 n GLY 376 Ca 0.22 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.50 3cf3 n GLY 376 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3cf3 h ARG 377 N 0.00 0.22 -0.31 1.61 3.08 -1.11 0.48 114.38 118.35 3cf3 h ARG 377 Ca 0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3cf3 h ARG 377 Cb 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3cf3 h ARG 377 CO 0.00 0.14 0.10 1.25 -1.07 0.00 0.00 179.97 180.39 3cf3 h LEU 378 N 0.22 0.45 -1.00 3.04 7.12 -1.47 -1.62 115.31 122.05 3cf3 h LEU 378 Ca 0.76 -0.20 0.00 0.00 0.13 0.00 0.00 57.88 58.57 3cf3 h LEU 378 Cb 1.80 -0.12 -0.05 0.00 -0.53 0.00 0.00 40.66 41.77 3cf3 h LEU 378 CO -0.66 0.53 0.62 -0.08 -0.13 0.00 0.00 178.44 178.72 3cf3 h GLU 379 N 0.34 1.30 0.62 1.25 4.81 0.11 -2.78 114.58 120.22 3cf3 h GLU 379 Ca 0.10 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3cf3 h GLU 379 Cb 0.24 -0.29 0.01 0.00 0.63 0.00 0.00 28.75 29.34 3cf3 h GLU 379 CO -0.00 0.88 -0.30 0.82 -0.73 0.00 0.00 179.01 179.68 3cf3 h ILE 380 N 1.33 0.35 -1.01 2.32 2.04 -0.75 -3.13 117.51 118.66 3cf3 h ILE 380 Ca 0.35 -0.17 0.24 0.00 1.00 0.00 0.00 64.86 66.29 3cf3 h ILE 380 Cb -0.12 0.40 -0.10 0.00 -0.74 0.00 0.00 36.82 36.26 3cf3 h ILE 380 CO -0.07 0.02 0.63 -0.07 0.00 0.00 0.00 178.15 178.66 3cf3 h LEU 381 N -0.94 0.58 -2.04 1.44 3.38 -1.16 0.77 115.31 117.33 3cf3 h LEU 381 Ca -0.08 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3cf3 h LEU 381 Cb 0.67 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 3cf3 h LEU 381 CO 0.14 0.14 -0.07 1.56 0.09 0.00 0.00 178.44 180.30 3cf3 h GLN 382 N 0.52 0.00 0.13 1.13 4.20 -1.44 -2.52 115.11 117.13 3cf3 h GLN 382 Ca 0.60 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 59.01 3cf3 h GLN 382 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 3cf3 h GLN 382 CO -0.35 0.07 -1.39 0.82 -0.67 0.00 0.00 178.83 177.30 3cf3 h ILE 383 N 0.00 1.32 -0.48 2.54 2.04 0.57 -2.99 117.51 120.51 3cf3 h ILE 383 Ca -0.00 -2.92 0.00 0.00 1.00 0.00 0.00 64.86 62.94 3cf3 h ILE 383 Cb 0.30 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 3cf3 h ILE 383 CO 0.01 0.85 0.00 1.41 0.00 0.00 0.00 178.15 180.42 3cf3 n HIS 384 N -3.50 1.45 -0.57 1.37 8.25 -0.97 -3.75 115.22 117.49 3cf3 n HIS 384 Ca -0.13 -0.53 0.00 0.00 -0.26 0.00 0.00 57.72 56.81 3cf3 n HIS 384 Cb 1.04 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.82 3cf3 n HIS 384 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3cf3 n THR 385 N 0.65 0.00 0.69 1.59 -2.24 -1.00 -4.78 114.28 109.19 3cf3 n THR 385 Ca 0.21 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 3cf3 n THR 385 Cb 0.88 1.57 0.00 0.00 -2.10 0.00 0.00 70.33 70.68 3cf3 n THR 385 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3cf3 n LYS 386 N -0.06 0.35 0.00 -0.78 2.85 -1.13 -2.17 118.16 117.23 3cf3 n LYS 386 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3cf3 n LYS 386 Cb 0.14 -1.01 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 3cf3 n LYS 386 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3cf3 n ASN 387 N -0.46 2.37 -4.83 -5.58 3.02 -1.26 -4.73 115.26 103.78 3cf3 n ASN 387 Ca 0.00 -0.06 -0.28 0.00 -0.03 0.00 0.00 54.58 54.21 3cf3 n ASN 387 Cb 0.00 0.60 -0.05 0.00 -0.61 0.00 0.00 39.78 39.72 3cf3 n ASN 387 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cf3 s MET 388 N -1.07 3.05 -0.85 3.52 0.23 -0.92 -0.50 119.30 122.74 3cf3 s MET 388 Ca 0.00 -0.74 -0.25 0.00 -1.03 0.00 0.00 55.69 53.67 3cf3 s MET 388 Cb 0.00 -2.76 0.05 0.00 -1.53 0.00 0.00 34.83 30.59 3cf3 s MET 388 CO 0.00 0.52 1.32 0.21 -2.03 0.00 0.00 175.02 175.04 3cf3 s LYS 389 N -2.92 3.36 0.44 3.16 2.20 -1.26 -4.92 119.74 119.81 3cf3 s LYS 389 Ca 0.32 -0.71 -0.23 0.00 -0.36 0.00 0.00 55.97 54.99 3cf3 s LYS 389 Cb -0.11 -4.69 -0.08 0.00 -1.51 0.00 0.00 37.83 31.44 3cf3 s LYS 389 CO 0.24 -2.13 1.07 -0.51 -0.36 0.00 0.00 175.35 173.67 3cf3 s LEU 390 N 5.17 4.02 0.61 5.43 1.43 -1.26 -2.15 118.68 131.93 3cf3 s LEU 390 Ca 0.38 2.07 -0.09 0.00 -1.03 0.00 0.00 54.13 55.46 3cf3 s LEU 390 Cb -0.05 -4.31 -0.02 0.00 0.03 0.00 0.00 46.19 41.84 3cf3 s LEU 390 CO 0.04 -0.69 0.98 0.00 0.23 0.00 0.00 176.35 176.91 3cf3 s ALA 391 N -1.72 3.13 0.21 4.21 0.00 0.00 -4.85 121.76 122.75 3cf3 s ALA 391 Ca 0.62 -0.32 -0.10 0.00 0.00 0.00 0.00 51.96 52.16 3cf3 s ALA 391 Cb -0.22 -2.90 0.16 0.00 0.00 0.00 0.00 23.12 20.16 3cf3 s ALA 391 CO 0.27 -0.76 1.88 -0.44 0.00 0.00 0.00 175.76 176.71 3cf3 h ASP 392 N -0.28 0.90 0.40 0.00 3.32 -1.96 -1.94 116.42 116.85 3cf3 h ASP 392 Ca -0.45 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3cf3 h ASP 392 Cb 1.22 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.54 3cf3 h ASP 392 CO 0.62 0.66 0.00 -0.90 -1.72 0.00 0.00 179.24 177.90 3cf3 n ASP 393 N -4.53 0.00 -4.67 6.45 5.75 -1.26 -4.72 116.55 113.57 3cf3 n ASP 393 Ca 0.08 0.48 -0.42 0.00 -0.01 0.00 0.00 54.79 54.91 3cf3 n ASP 393 Cb 0.02 -0.49 -0.03 0.00 -1.03 0.00 0.00 41.12 39.60 3cf3 n ASP 393 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3cf3 s VAL 394 N -2.98 3.79 -0.79 2.12 1.01 -0.73 -4.52 120.40 118.31 3cf3 s VAL 394 Ca 0.06 1.00 -0.00 0.00 0.00 0.00 0.00 61.98 63.04 3cf3 s VAL 394 Cb 0.08 -3.64 0.19 0.00 0.00 0.00 0.00 36.38 33.01 3cf3 s VAL 394 CO 0.21 -0.07 0.63 -0.62 0.00 0.00 0.00 175.10 175.25 3cf3 s ASP 395 N 2.71 5.54 0.24 3.32 -1.08 -1.26 -4.95 116.67 121.18 3cf3 s ASP 395 Ca 0.67 -3.54 -0.10 0.00 -0.52 0.00 0.00 52.55 49.06 3cf3 s ASP 395 Cb -0.30 -1.83 0.35 0.00 -1.46 0.00 0.00 42.92 39.68 3cf3 s ASP 395 CO 0.25 -0.21 1.61 -0.07 0.52 0.00 0.00 175.17 177.27 3cf3 h LEU 396 N 6.13 -0.63 0.06 -1.34 3.38 -1.98 0.08 115.31 121.01 3cf3 h LEU 396 Ca 0.11 0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.33 3cf3 h LEU 396 Cb 0.83 0.45 -0.04 0.00 0.09 0.00 0.00 40.66 41.99 3cf3 h LEU 396 CO 0.79 -0.24 -0.30 -0.08 0.09 0.00 0.00 178.44 178.70 3cf3 h GLU 397 N 0.02 -0.47 -0.65 1.13 4.81 -1.93 -2.32 114.58 115.17 3cf3 h GLU 397 Ca 0.38 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.75 3cf3 h GLU 397 Cb 0.61 0.11 -0.10 0.00 0.63 0.00 0.00 28.75 30.00 3cf3 h GLU 397 CO -0.77 -0.31 -0.26 0.94 -0.73 0.00 0.00 179.01 177.89 3cf3 n GLN 398 N -5.40 -0.15 0.19 1.92 -0.06 0.00 0.04 117.38 113.92 3cf3 n GLN 398 Ca -0.06 1.00 -0.15 0.00 -2.00 0.00 0.00 57.00 55.80 3cf3 n GLN 398 Cb 0.32 -1.49 -0.07 0.00 -4.06 0.00 0.00 30.24 24.94 3cf3 n GLN 398 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3cf3 h VAL 399 N 0.00 0.46 -0.96 1.69 2.07 -1.29 -2.23 116.25 116.00 3cf3 h VAL 399 Ca 0.23 0.00 0.25 0.00 0.82 0.00 0.00 66.70 68.00 3cf3 h VAL 399 Cb 0.39 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 3cf3 h VAL 399 CO -0.65 0.00 0.66 0.00 0.02 0.00 0.00 177.57 177.60 3cf3 h ALA 400 N 0.05 2.53 0.00 1.67 0.00 -0.15 0.12 119.26 123.49 3cf3 h ALA 400 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3cf3 h ALA 400 Cb 0.50 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3cf3 h ALA 400 CO -0.02 -0.84 0.00 0.09 0.00 0.00 0.00 179.25 178.47 3cf3 n ASN 401 N -4.41 0.60 -0.13 0.00 3.02 -0.53 -3.54 115.26 110.25 3cf3 n ASN 401 Ca 0.21 0.58 0.05 0.00 -0.03 0.00 0.00 54.58 55.38 3cf3 n ASN 401 Cb 0.89 -0.73 -0.02 0.00 -0.61 0.00 0.00 39.78 39.31 3cf3 n ASN 401 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 3cf3 n GLU 402 N -2.08 2.85 -2.24 3.52 0.28 0.37 -4.71 120.64 118.63 3cf3 n GLU 402 Ca 0.05 -0.36 -0.40 0.00 -0.16 0.00 0.00 57.16 56.29 3cf3 n GLU 402 Cb 0.36 -1.01 0.01 0.00 1.43 0.00 0.00 31.44 32.22 3cf3 n GLU 402 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3cf3 n THR 403 N -0.63 5.42 -0.39 3.84 -2.24 -0.94 -4.84 114.28 114.51 3cf3 n THR 403 Ca 0.03 -4.96 -0.11 0.00 -2.27 0.00 0.00 64.05 56.74 3cf3 n THR 403 Cb 0.18 -1.77 -0.09 0.00 -2.10 0.00 0.00 70.33 66.54 3cf3 n THR 403 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3cf3 h HIS 404 N 4.25 -1.82 -2.86 4.78 3.86 -1.84 -3.01 115.15 118.51 3cf3 h HIS 404 Ca 0.61 0.12 -0.73 0.00 -1.16 0.00 0.00 60.37 59.22 3cf3 h HIS 404 Cb 0.32 0.92 -0.34 0.00 1.06 0.00 0.00 27.41 29.37 3cf3 h HIS 404 CO 1.46 -0.39 0.17 0.41 0.86 0.00 0.00 177.93 180.45 3cf3 n GLY 405 N -1.28 4.76 3.05 2.45 0.00 -1.26 -5.00 105.19 107.90 3cf3 n GLY 405 Ca 0.02 -2.68 -0.27 0.00 0.00 0.00 0.00 46.02 43.10 3cf3 n GLY 405 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cf3 s HIS 406 N -2.26 1.73 0.54 1.61 4.02 -1.14 -3.94 115.29 115.85 3cf3 s HIS 406 Ca 0.33 -0.72 -0.07 0.00 1.02 0.00 0.00 55.06 55.62 3cf3 s HIS 406 Cb 0.04 -1.25 0.12 0.00 -1.02 0.00 0.00 32.58 30.46 3cf3 s HIS 406 CO 0.00 -0.36 0.73 1.33 1.02 0.00 0.00 174.74 177.46 3cf3 n VAL 407 N 3.95 0.00 0.40 -0.90 0.24 -1.26 -4.26 118.33 116.50 3cf3 n VAL 407 Ca -0.21 -0.70 -0.17 0.00 -2.04 0.00 0.00 64.34 61.22 3cf3 n VAL 407 Cb 0.52 -1.51 -0.09 0.00 -1.47 0.00 0.00 33.84 31.29 3cf3 n VAL 407 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3cf3 h GLY 408 N -0.82 -1.06 0.59 7.63 0.00 -1.75 -3.07 103.07 104.58 3cf3 h GLY 408 Ca -0.24 0.39 0.09 0.00 0.00 0.00 0.00 47.33 47.58 3cf3 h GLY 408 CO 0.19 -0.39 0.64 0.00 0.00 0.00 0.00 176.54 176.98 3cf3 h ALA 409 N -0.99 1.45 -0.39 3.60 0.00 -1.86 -1.26 119.26 119.82 3cf3 h ALA 409 Ca -0.10 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3cf3 h ALA 409 Cb 0.80 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3cf3 h ALA 409 CO 0.17 0.32 0.26 -0.44 0.00 0.00 0.00 179.25 179.57 3cf3 h ASP 410 N 1.07 0.23 0.37 0.00 3.32 -1.89 -0.81 116.42 118.72 3cf3 h ASP 410 Ca 0.47 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.26 3cf3 h ASP 410 Cb 0.34 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.85 3cf3 h ASP 410 CO -0.22 0.15 -1.09 -0.07 -1.72 0.00 0.00 179.24 176.28 3cf3 h LEU 411 N 0.26 0.58 0.26 1.55 3.38 -1.15 -2.91 115.31 117.28 3cf3 h LEU 411 Ca 0.17 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3cf3 h LEU 411 Cb 0.35 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3cf3 h LEU 411 CO -0.03 1.35 -0.13 0.00 0.09 0.00 0.00 178.44 179.71 3cf3 h ALA 412 N 0.60 -0.35 -0.31 1.53 0.00 -0.76 -2.33 119.26 117.65 3cf3 h ALA 412 Ca -0.12 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.71 3cf3 h ALA 412 Cb 1.76 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 3cf3 h ALA 412 CO 0.19 -0.56 0.22 0.00 0.00 0.00 0.00 179.25 179.10 3cf3 h ALA 413 N 0.01 2.29 -0.20 0.00 0.00 -1.36 -0.42 119.26 119.58 3cf3 h ALA 413 Ca -0.04 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3cf3 h ALA 413 Cb 0.45 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3cf3 h ALA 413 CO 0.06 -0.38 0.07 1.25 0.00 0.00 0.00 179.25 180.25 3cf3 h LEU 414 N 0.00 0.08 -1.22 0.00 5.85 -1.22 0.14 115.31 118.94 3cf3 h LEU 414 Ca 0.15 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 3cf3 h LEU 414 Cb 0.59 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3cf3 h LEU 414 CO -0.00 0.07 -0.39 0.00 -0.34 0.00 0.00 178.44 177.78 3cf3 h SER 416 N 0.00 0.17 0.66 0.00 0.02 -0.58 0.57 113.55 114.39 3cf3 h SER 416 Ca -0.00 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3cf3 h SER 416 Cb 0.69 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3cf3 h SER 416 CO 0.05 0.62 0.00 -0.62 -1.14 0.00 0.00 176.83 175.74 3cf3 n GLU 417 N -4.72 0.07 -0.03 3.45 -0.58 0.42 -0.73 120.64 118.53 3cf3 n GLU 417 Ca -0.07 0.12 -0.06 0.00 -0.42 0.00 0.00 57.16 56.73 3cf3 n GLU 417 Cb 0.30 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.54 3cf3 n GLU 417 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3cf3 n ALA 418 N -1.45 1.68 0.01 0.62 0.00 -0.02 -3.57 120.51 117.77 3cf3 n ALA 418 Ca 0.06 -0.83 -0.18 0.00 0.00 0.00 0.00 53.44 52.49 3cf3 n ALA 418 Cb 0.23 -0.71 -0.14 0.00 0.00 0.00 0.00 19.45 18.83 3cf3 n ALA 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf3 h ALA 419 N 1.16 0.50 0.00 0.00 0.00 -0.63 -3.20 119.26 117.09 3cf3 h ALA 419 Ca -0.30 -1.38 -0.01 0.00 0.00 0.00 0.00 54.91 53.22 3cf3 h ALA 419 Cb 1.91 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 20.31 3cf3 h ALA 419 CO 0.05 1.36 -0.04 -0.07 0.00 0.00 0.00 179.25 180.55 3cf3 h LEU 420 N 0.06 0.00 -0.02 0.00 3.38 -1.11 -1.46 115.31 116.16 3cf3 h LEU 420 Ca -0.37 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 3cf3 h LEU 420 Cb 2.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 3cf3 h LEU 420 CO 0.10 0.04 -0.23 -0.61 0.09 0.00 0.00 178.44 177.82 3cf3 h GLN 421 N 0.00 0.19 0.00 1.13 5.75 -1.66 -1.77 115.11 118.75 3cf3 h GLN 421 Ca -0.00 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.32 3cf3 h GLN 421 Cb 0.11 0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.70 3cf3 h GLN 421 CO 0.01 0.88 0.00 0.00 -2.65 0.00 0.00 178.83 177.07 3cf3 n ALA 422 N -2.52 2.05 -0.10 3.38 0.00 -0.66 -2.74 120.51 119.92 3cf3 n ALA 422 Ca -0.09 -0.08 -0.19 0.00 0.00 0.00 0.00 53.44 53.08 3cf3 n ALA 422 Cb 0.48 -1.20 -0.08 0.00 0.00 0.00 0.00 19.45 18.65 3cf3 n ALA 422 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3cf3 n ILE 423 N -0.90 1.14 0.36 0.00 5.41 -0.64 -3.71 119.36 121.02 3cf3 n ILE 423 Ca 0.09 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.49 3cf3 n ILE 423 Cb 0.04 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 37.45 3cf3 n ILE 423 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3cf3 n ARG 424 N -3.56 0.29 0.06 0.38 1.74 -0.68 -2.33 116.66 112.56 3cf3 n ARG 424 Ca -0.39 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.69 3cf3 n ARG 424 Cb 0.83 -1.11 0.00 0.00 -1.02 0.00 0.00 32.46 31.16 3cf3 n ARG 424 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3cf3 n LYS 425 N 0.14 0.00 0.00 5.56 5.02 -1.25 -4.55 118.16 123.09 3cf3 n LYS 425 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3cf3 n LYS 425 Cb 0.06 -0.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.87 3cf3 n LYS 425 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3cf3 n LYS 426 N -3.17 0.00 0.08 1.97 4.76 -1.16 -3.23 118.16 117.42 3cf3 n LYS 426 Ca 0.00 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.55 3cf3 n LYS 426 Cb 0.08 -0.16 0.44 0.00 -1.84 0.00 0.00 35.03 33.54 3cf3 n LYS 426 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 3cf3 n MET 427 N 0.00 0.13 -0.05 1.97 1.56 -1.25 -2.23 117.12 117.25 3cf3 n MET 427 Ca 0.00 0.33 -0.14 0.00 -0.27 0.00 0.00 57.70 57.62 3cf3 n MET 427 Cb 0.00 -1.73 -0.12 0.00 2.15 0.00 0.00 33.22 33.52 3cf3 n MET 427 CO 0.00 0.00 0.00 0.22 -0.73 0.00 0.00 175.97 175.46 3cf3 h ASP 428 N 0.00 0.05 -0.11 6.12 3.58 -1.66 0.88 116.42 125.28 3cf3 h ASP 428 Ca 0.00 -0.85 -0.07 0.00 0.42 0.00 0.00 57.03 56.53 3cf3 h ASP 428 Cb 0.38 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 3cf3 h ASP 428 CO 0.00 0.89 -0.14 -0.07 -2.88 0.00 0.00 179.24 177.04 3cf3 h LEU 429 N -0.78 0.45 -1.01 2.28 3.38 -1.53 0.19 115.31 118.29 3cf3 h LEU 429 Ca -0.01 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 3cf3 h LEU 429 Cb 0.91 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3cf3 h LEU 429 CO 0.01 0.62 -0.44 0.40 0.09 0.00 0.00 178.44 179.13 3cf3 h ILE 430 N 0.43 1.13 -5.00 1.22 1.08 -1.46 -3.49 117.51 111.43 3cf3 h ILE 430 Ca 0.08 -1.60 0.00 0.00 -0.39 0.00 0.00 64.86 62.95 3cf3 h ILE 430 Cb 0.50 1.91 -0.06 0.00 -3.07 0.00 0.00 36.82 36.11 3cf3 h ILE 430 CO 0.03 0.43 -0.94 -0.67 -0.69 0.00 0.00 178.15 176.31 3cf3 n ASP 431 N -3.75 -4.32 -2.85 1.72 -0.08 0.30 -4.94 116.55 102.64 3cf3 n ASP 431 Ca -0.01 1.40 -0.28 0.00 -1.51 0.00 0.00 54.79 54.39 3cf3 n ASP 431 Cb 0.50 -4.14 -0.02 0.00 2.34 0.00 0.00 41.12 39.80 3cf3 n ASP 431 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3cf3 n LEU 432 N 1.95 4.86 -4.56 -2.67 4.77 -1.18 -5.00 117.00 115.17 3cf3 n LEU 432 Ca -0.17 -5.50 -0.54 0.00 -0.03 0.00 0.00 56.01 49.77 3cf3 n LEU 432 Cb 0.27 -0.59 -0.06 0.00 -2.33 0.00 0.00 43.42 40.71 3cf3 n LEU 432 CO 0.16 2.28 0.77 -0.62 -1.33 0.00 0.00 177.39 178.66 3cf3 n GLU 433 N -0.32 0.78 -3.69 3.23 1.02 -1.26 -4.79 120.64 115.61 3cf3 n GLU 433 Ca 0.35 0.28 -0.06 0.00 -0.02 0.00 0.00 57.16 57.71 3cf3 n GLU 433 Cb 0.46 -1.86 -0.02 0.00 -0.02 0.00 0.00 31.44 30.00 3cf3 n GLU 433 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3cf3 s ASP 434 N 0.28 -0.28 0.00 1.62 1.01 -1.26 -4.96 116.67 113.08 3cf3 s ASP 434 Ca 0.85 -0.33 0.29 0.00 0.71 0.00 0.00 52.55 54.07 3cf3 s ASP 434 Cb -1.04 0.54 1.25 0.00 1.01 0.00 0.00 42.92 44.67 3cf3 s ASP 434 CO 0.50 -0.96 1.88 -0.62 0.21 0.00 0.00 175.17 176.19 3cf3 n GLU 435 N -0.42 0.54 -3.16 8.23 1.02 -1.26 -4.64 120.64 120.96 3cf3 n GLU 435 Ca -0.07 -0.15 0.05 0.00 -0.02 0.00 0.00 57.16 56.97 3cf3 n GLU 435 Cb 0.61 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.51 3cf3 n GLU 435 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3cf3 s THR 436 N -2.56 -0.07 1.20 2.62 -1.32 -1.26 -5.06 115.64 109.18 3cf3 s THR 436 Ca 0.27 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.61 3cf3 s THR 436 Cb 0.20 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.49 3cf3 s THR 436 CO 0.49 0.00 1.01 -0.63 -2.21 0.00 0.00 174.62 173.28 3cf3 s ILE 437 N 2.68 1.97 0.32 5.08 -1.09 -1.26 -4.91 121.20 123.99 3cf3 s ILE 437 Ca -0.06 0.00 -0.06 0.00 -2.23 0.00 0.00 60.65 58.30 3cf3 s ILE 437 Cb -0.06 -2.05 -0.05 0.00 -1.58 0.00 0.00 42.46 38.72 3cf3 s ILE 437 CO -0.10 0.00 0.60 -0.62 -1.23 0.00 0.00 174.94 173.59 3cf3 s ASP 438 N -2.52 6.44 -0.01 3.58 2.15 -1.26 -3.95 116.67 121.10 3cf3 s ASP 438 Ca 0.69 0.77 0.03 0.00 0.43 0.00 0.00 52.55 54.48 3cf3 s ASP 438 Cb -0.25 -2.17 -0.25 0.00 -0.30 0.00 0.00 42.92 39.95 3cf3 s ASP 438 CO 0.65 -0.25 0.78 0.00 -0.17 0.00 0.00 175.17 176.18 3cf3 h ALA 439 N 1.52 0.49 -0.91 3.66 0.00 -1.44 -3.25 119.26 119.33 3cf3 h ALA 439 Ca -0.48 -1.25 0.04 0.00 0.00 0.00 0.00 54.91 53.22 3cf3 h ALA 439 Cb 1.19 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 19.28 3cf3 h ALA 439 CO 0.65 1.34 0.58 0.93 0.00 0.00 0.00 179.25 182.76 3cf3 h GLU 440 N 0.04 1.08 0.83 0.00 4.39 -1.91 -2.33 114.58 116.67 3cf3 h GLU 440 Ca -0.25 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.34 3cf3 h GLU 440 Cb 1.99 -0.24 0.01 0.00 -0.10 0.00 0.00 28.75 30.40 3cf3 h GLU 440 CO 0.12 0.71 -0.40 0.28 -1.16 0.00 0.00 179.01 178.56 3cf3 h VAL 441 N 1.11 0.19 -0.33 3.13 2.07 -1.93 -2.41 116.25 118.08 3cf3 h VAL 441 Ca 0.37 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.99 3cf3 h VAL 441 Cb 0.05 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3cf3 h VAL 441 CO -0.13 0.00 0.28 0.24 0.02 0.00 0.00 177.57 177.98 3cf3 h MET 442 N -1.11 0.00 0.00 1.57 2.86 -1.55 0.92 114.93 117.61 3cf3 h MET 442 Ca -0.11 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.43 3cf3 h MET 442 Cb 0.85 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 3cf3 h MET 442 CO 0.19 0.00 -0.45 -0.97 1.06 0.00 0.00 176.91 176.74 3cf3 h ASN 443 N 0.00 0.00 0.79 1.22 -0.73 -1.20 -3.16 115.58 112.50 3cf3 h ASN 443 Ca 0.16 0.00 -0.25 0.00 1.87 0.00 0.00 56.30 58.08 3cf3 h ASN 443 Cb 0.72 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.29 3cf3 h ASN 443 CO -0.00 0.45 -1.23 0.77 -0.37 0.00 0.00 177.43 177.05 3cf3 h SER 444 N 0.00 0.11 -2.67 1.15 4.64 -0.36 -3.45 113.55 112.98 3cf3 h SER 444 Ca -0.00 -0.14 -0.52 0.00 -0.47 0.00 0.00 61.79 60.66 3cf3 h SER 444 Cb 1.27 -0.04 0.05 0.00 -0.31 0.00 0.00 62.40 63.38 3cf3 h SER 444 CO 0.06 1.11 1.01 -0.22 -0.87 0.00 0.00 176.83 177.92 3cf3 s LEU 445 N -6.70 4.37 0.03 5.97 0.20 -0.55 -5.01 118.68 117.00 3cf3 s LEU 445 Ca -0.02 2.81 0.06 0.00 0.69 0.00 0.00 54.13 57.67 3cf3 s LEU 445 Cb 0.09 -3.59 -0.02 0.00 -0.43 0.00 0.00 46.19 42.23 3cf3 s LEU 445 CO 0.83 -0.96 -0.18 0.00 -0.29 0.00 0.00 176.35 175.75 3cf3 s ALA 446 N 1.45 1.55 -0.22 5.97 0.00 -1.26 -4.44 121.76 124.82 3cf3 s ALA 446 Ca 0.75 -0.94 -0.09 0.00 0.00 0.00 0.00 51.96 51.68 3cf3 s ALA 446 Cb -0.48 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.28 3cf3 s ALA 446 CO 0.33 0.34 0.12 0.08 0.00 0.00 0.00 175.76 176.63 3cf3 s VAL 447 N -0.73 5.14 0.13 0.00 1.01 -0.91 -4.91 120.40 120.14 3cf3 s VAL 447 Ca 0.06 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.17 3cf3 s VAL 447 Cb -0.08 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 3cf3 s VAL 447 CO 0.01 0.39 0.21 0.42 0.00 0.00 0.00 175.10 176.13 3cf3 s THR 448 N 0.80 5.02 0.66 3.92 -4.23 -1.26 -0.82 115.64 119.74 3cf3 s THR 448 Ca 0.06 -0.76 0.27 0.00 -1.18 0.00 0.00 61.69 60.08 3cf3 s THR 448 Cb -0.13 -3.54 0.28 0.00 1.34 0.00 0.00 72.50 70.45 3cf3 s THR 448 CO 0.02 -0.04 1.83 -0.03 -0.54 0.00 0.00 174.62 175.86 3cf3 h MET 449 N 2.47 0.00 0.00 3.99 1.85 -1.89 0.97 114.93 122.32 3cf3 h MET 449 Ca -0.48 0.00 -0.13 0.00 -0.61 0.00 0.00 59.70 58.49 3cf3 h MET 449 Cb 1.19 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.20 3cf3 h MET 449 CO 0.68 0.00 -0.60 0.22 -0.40 0.00 0.00 176.91 176.81 3cf3 h ASP 450 N 0.00 0.00 0.15 1.39 3.58 -1.93 -2.38 116.42 117.23 3cf3 h ASP 450 Ca 0.02 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.21 3cf3 h ASP 450 Cb 0.85 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.92 3cf3 h ASP 450 CO -0.00 0.60 -1.05 0.44 -2.88 0.00 0.00 179.24 176.34 3cf3 h ASP 451 N 0.00 0.77 -0.49 2.28 3.32 0.67 -3.12 116.42 119.85 3cf3 h ASP 451 Ca -0.01 -0.64 -0.06 0.00 0.02 0.00 0.00 57.03 56.35 3cf3 h ASP 451 Cb 1.27 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 3cf3 h ASP 451 CO 0.08 1.44 0.08 -0.26 -1.72 0.00 0.00 179.24 178.86 3cf3 h PHE 452 N 0.31 0.85 -0.60 4.55 -1.00 -1.50 -2.34 116.94 117.21 3cf3 h PHE 452 Ca -0.12 -0.12 0.12 0.00 2.81 0.00 0.00 57.97 60.66 3cf3 h PHE 452 Cb 1.71 -0.23 -0.11 0.00 3.61 0.00 0.00 35.95 40.92 3cf3 h PHE 452 CO 0.09 0.78 -0.13 -0.09 -1.61 0.00 0.00 178.31 177.35 3cf3 h ARG 453 N 0.68 0.01 -0.53 1.51 9.65 -1.46 0.53 114.38 124.77 3cf3 h ARG 453 Ca 0.15 -0.00 0.03 0.00 -1.10 0.00 0.00 59.98 59.06 3cf3 h ARG 453 Cb 0.39 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.93 3cf3 h ARG 453 CO 0.01 0.01 0.35 2.35 2.80 0.00 0.00 179.97 185.49 3cf3 h TRP 454 N 0.01 0.58 0.48 2.20 7.01 -1.38 -1.09 115.95 123.75 3cf3 h TRP 454 Ca 0.29 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.28 3cf3 h TRP 454 Cb 0.45 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.32 3cf3 h TRP 454 CO -0.48 0.34 -0.23 0.00 -2.79 0.00 0.00 178.44 175.28 3cf3 h ALA 455 N 1.69 -1.12 -0.62 2.65 0.00 0.54 -2.54 119.26 119.85 3cf3 h ALA 455 Ca 0.21 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.10 3cf3 h ALA 455 Cb 0.10 0.25 -0.12 0.00 0.00 0.00 0.00 17.79 18.01 3cf3 h ALA 455 CO -0.06 -1.08 -0.24 -0.07 0.00 0.00 0.00 179.25 177.81 3cf3 h LEU 456 N -0.66 -0.85 -1.00 0.00 3.38 -1.19 0.53 115.31 115.53 3cf3 h LEU 456 Ca -0.07 0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.18 3cf3 h LEU 456 Cb 0.49 0.48 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3cf3 h LEU 456 CO 0.11 -0.26 0.77 0.28 0.09 0.00 0.00 178.44 179.43 3cf3 h SER 457 N -0.08 0.00 -4.13 -0.43 0.02 -1.04 -3.40 113.55 104.50 3cf3 h SER 457 Ca 0.28 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.78 3cf3 h SER 457 Cb 0.52 0.00 0.15 0.00 0.14 0.00 0.00 62.40 63.21 3cf3 h SER 457 CO -0.68 0.00 0.42 -1.58 -1.14 0.00 0.00 176.83 173.85 3cf3 s GLN 458 N -4.16 0.85 0.00 3.45 2.00 0.19 -4.92 119.66 117.07 3cf3 s GLN 458 Ca -0.02 -0.31 0.13 0.00 -2.00 0.00 0.00 55.36 53.16 3cf3 s GLN 458 Cb 0.07 -1.86 0.72 0.00 0.80 0.00 0.00 33.01 32.74 3cf3 s GLN 458 CO 0.22 -2.29 1.47 0.43 -0.50 0.00 0.00 175.29 174.62 3cf3 n SER 459 N -3.70 0.12 -0.09 6.67 7.64 -1.26 -3.96 113.62 119.03 3cf3 n SER 459 Ca 0.14 -1.63 -0.04 0.00 1.01 0.00 0.00 58.87 58.35 3cf3 n SER 459 Cb 0.60 -0.01 0.18 0.00 -1.01 0.00 0.00 64.21 63.97 3cf3 n SER 459 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3cf3 h ASN 460 N 0.14 0.71 0.00 6.43 -1.07 -1.82 -3.17 115.58 116.81 3cf3 h ASN 460 Ca 0.00 -0.16 0.00 0.00 0.07 0.00 0.00 56.30 56.21 3cf3 h ASN 460 Cb 0.03 -0.19 0.00 0.00 -2.07 0.00 0.00 38.32 36.09 3cf3 h ASN 460 CO 0.00 0.78 0.11 -0.81 0.07 0.00 0.00 177.43 177.58 3cf3 n PRO 461 N -4.23 0.00 -0.66 4.14 -0.04 -1.25 -4.42 135.00 128.54 3cf3 n PRO 461 Ca 0.02 0.35 -0.40 0.00 -0.04 0.00 0.00 63.50 63.44 3cf3 n PRO 461 Cb 0.28 -1.61 -0.09 0.00 -0.04 0.00 0.00 33.50 32.04 3cf3 n PRO 461 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3cf3 n SER 462 N -1.35 1.49 -4.40 3.54 3.41 -1.20 -4.83 113.62 110.29 3cf3 n SER 462 Ca 0.00 -2.51 -0.44 0.00 -0.26 0.00 0.00 58.87 55.66 3cf3 n SER 462 Cb 0.11 -0.70 -0.08 0.00 -0.26 0.00 0.00 64.21 63.28 3cf3 n SER 462 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cf3 s ALA 463 N 6.16 3.52 0.05 7.33 0.00 -1.25 -5.03 121.76 132.53 3cf3 s ALA 463 Ca 0.60 -2.01 -0.09 0.00 0.00 0.00 0.00 51.96 50.46 3cf3 s ALA 463 Cb 0.14 -2.99 -0.05 0.00 0.00 0.00 0.00 23.12 20.21 3cf3 s ALA 463 CO 0.24 -1.65 0.18 1.28 0.00 0.00 0.00 175.76 175.82 3cf3 n LEU 464 N 5.17 -0.31 -3.85 0.00 4.77 -1.26 -4.43 117.00 117.09 3cf3 n LEU 464 Ca -0.12 0.34 -0.18 0.00 -0.03 0.00 0.00 56.01 56.02 3cf3 n LEU 464 Cb 0.44 -0.28 -0.16 0.00 -2.33 0.00 0.00 43.42 41.09 3cf3 n LEU 464 CO 0.45 -0.83 -0.39 -0.60 -1.33 0.00 0.00 177.39 174.69 3cf3 s ARG 465 N -0.25 0.46 0.34 3.23 3.52 -1.26 -4.71 118.95 120.28 3cf3 s ARG 465 Ca 0.20 0.01 0.04 0.00 -0.13 0.00 0.00 55.73 55.85 3cf3 s ARG 465 Cb -0.29 -0.57 -0.01 0.00 -1.56 0.00 0.00 34.95 32.51 3cf3 s ARG 465 CO 0.17 -0.10 0.14 -1.91 -0.81 0.00 0.00 175.30 172.79 3cf3 n GLU 466 N 4.02 0.59 -1.39 5.12 2.13 -1.26 -5.09 120.64 124.76 3cf3 n GLU 466 Ca -0.26 -2.96 -0.59 0.00 0.66 0.00 0.00 57.16 54.02 3cf3 n GLU 466 Cb 0.51 1.72 -0.10 0.00 0.27 0.00 0.00 31.44 33.84 3cf3 n GLU 466 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3cf3 n THR 467 N -0.76 0.07 -3.10 6.31 -2.24 -1.26 -4.90 114.28 108.39 3cf3 n THR 467 Ca -0.03 -0.06 -0.41 0.00 -2.27 0.00 0.00 64.05 61.27 3cf3 n THR 467 Cb 0.53 -0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 67.87 3cf3 n THR 467 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3cf3 s VAL 468 N 5.75 4.94 0.07 2.28 1.01 -1.26 -4.99 120.40 128.21 3cf3 s VAL 468 Ca 1.14 0.95 -0.04 0.00 0.00 0.00 0.00 61.98 64.03 3cf3 s VAL 468 Cb -1.32 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 31.02 3cf3 s VAL 468 CO 0.64 -0.10 0.30 -0.69 0.00 0.00 0.00 175.10 175.25 3cf3 s VAL 469 N 2.60 5.26 0.00 2.92 1.01 -1.26 -4.68 120.40 126.24 3cf3 s VAL 469 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.23 3cf3 s VAL 469 Cb -0.15 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.62 3cf3 s VAL 469 CO 0.11 0.18 0.00 -1.84 0.00 0.00 0.00 175.10 173.55 3cf3 n GLU 470 N 0.51 0.00 -4.33 2.72 0.28 -1.20 -4.80 120.64 113.83 3cf3 n GLU 470 Ca -0.06 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.74 3cf3 n GLU 470 Cb 0.52 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.26 3cf3 n GLU 470 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3cf3 s VAL 471 N -2.48 1.15 -0.06 3.84 1.01 -1.26 -0.87 120.40 121.72 3cf3 s VAL 471 Ca 0.00 -1.08 -0.30 0.00 0.00 0.00 0.00 61.98 60.61 3cf3 s VAL 471 Cb 0.00 -1.05 -0.06 0.00 0.00 0.00 0.00 36.38 35.27 3cf3 s VAL 471 CO 0.00 -0.03 1.76 -2.84 0.00 0.00 0.00 175.10 173.98 3cf3 s PRO 472 N -1.27 4.06 -0.07 2.72 0.02 -1.26 -4.86 135.00 134.33 3cf3 s PRO 472 Ca 0.01 2.21 0.02 0.00 0.02 0.00 0.00 61.00 63.26 3cf3 s PRO 472 Cb -0.08 -4.06 0.18 0.00 0.02 0.00 0.00 34.50 30.56 3cf3 s PRO 472 CO 0.02 -1.01 0.95 0.00 -0.33 0.00 0.00 177.00 176.63 3cf3 n GLN 473 N 7.40 1.69 -4.06 5.54 0.00 -1.26 -4.66 117.38 122.03 3cf3 n GLN 473 Ca 0.19 -0.73 -0.13 0.00 0.00 0.00 0.00 57.00 56.33 3cf3 n GLN 473 Cb 0.43 -1.53 -0.12 0.00 0.00 0.00 0.00 30.24 29.02 3cf3 n GLN 473 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3cf3 s VAL 474 N -1.18 0.47 0.00 -0.39 0.11 -1.26 -5.15 120.40 113.00 3cf3 s VAL 474 Ca 0.13 -0.95 0.00 0.00 -2.93 0.00 0.00 61.98 58.23 3cf3 s VAL 474 Cb 0.10 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.42 3cf3 s VAL 474 CO 0.03 -0.33 0.00 0.35 -3.33 0.00 0.00 175.10 171.82 3cf3 n THR 475 N 1.66 0.00 1.45 5.04 -2.24 -1.26 -4.20 114.28 114.73 3cf3 n THR 475 Ca -0.22 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.71 3cf3 n THR 475 Cb 0.55 -0.27 0.70 0.00 -2.10 0.00 0.00 70.33 69.21 3cf3 n THR 475 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 3cf3 n TRP 476 N -0.23 0.00 0.49 4.78 7.02 -1.26 -3.04 117.44 125.21 3cf3 n TRP 476 Ca 0.00 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.61 3cf3 n TRP 476 Cb 0.00 -0.22 0.43 0.00 -2.42 0.00 0.00 31.31 29.10 3cf3 n TRP 476 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 3cf3 h GLU 477 N 0.28 0.00 -0.02 -0.99 5.08 -2.00 -2.75 114.58 114.18 3cf3 h GLU 477 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3cf3 h GLU 477 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3cf3 h GLU 477 CO 0.00 0.00 -0.20 -0.25 -1.00 0.00 0.00 179.01 177.56 3cf3 n ASP 478 N -2.40 1.91 -4.22 1.42 9.92 -1.17 -4.79 116.55 117.22 3cf3 n ASP 478 Ca 0.04 -1.48 -0.40 0.00 -0.53 0.00 0.00 54.79 52.42 3cf3 n ASP 478 Cb 0.37 0.17 -0.09 0.00 -0.64 0.00 0.00 41.12 40.93 3cf3 n ASP 478 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3cf3 s ILE 479 N -2.26 4.10 0.11 0.53 1.01 -1.04 -4.88 121.20 118.78 3cf3 s ILE 479 Ca 0.27 -1.69 -0.31 0.00 0.00 0.00 0.00 60.65 58.92 3cf3 s ILE 479 Cb 0.20 -3.65 -0.07 0.00 0.01 0.00 0.00 42.46 38.94 3cf3 s ILE 479 CO 0.44 -0.68 1.30 -0.83 0.00 0.00 0.00 174.94 175.17 3cf3 s GLY 480 N 2.40 2.23 0.00 6.18 0.00 -1.26 -4.82 107.32 112.05 3cf3 s GLY 480 Ca 0.05 1.01 0.00 0.00 0.00 0.00 0.00 44.72 45.78 3cf3 s GLY 480 CO -0.00 2.17 0.00 0.61 0.00 0.00 0.00 173.10 175.88 3cf3 n GLY 481 N 3.16 -0.24 3.57 0.20 0.00 -1.26 -4.78 105.19 105.84 3cf3 n GLY 481 Ca 0.09 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.88 3cf3 n GLY 481 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cf3 n LEU 482 N 0.00 -3.69 0.09 0.99 4.77 -1.26 -4.92 117.00 112.97 3cf3 n LEU 482 Ca 0.00 -0.83 -0.22 0.00 -0.03 0.00 0.00 56.01 54.93 3cf3 n LEU 482 Cb 0.00 -2.76 -0.15 0.00 -2.33 0.00 0.00 43.42 38.18 3cf3 n LEU 482 CO 0.00 0.35 -0.40 -0.33 -1.33 0.00 0.00 177.39 175.68 3cf3 h GLU 483 N -1.70 0.41 -0.93 3.23 4.39 -1.93 -3.07 114.58 114.97 3cf3 h GLU 483 Ca -0.62 -0.69 0.12 0.00 0.34 0.00 0.00 59.36 58.50 3cf3 h GLU 483 Cb 1.35 0.26 -0.08 0.00 -0.10 0.00 0.00 28.75 30.17 3cf3 h GLU 483 CO 0.51 1.31 0.56 0.38 -1.16 0.00 0.00 179.01 180.61 3cf3 h ASP 484 N 0.11 0.80 -0.09 1.42 2.03 -2.02 -2.15 116.42 116.52 3cf3 h ASP 484 Ca -0.30 0.06 -0.09 0.00 -0.73 0.00 0.00 57.03 55.97 3cf3 h ASP 484 Cb 2.10 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 40.51 3cf3 h ASP 484 CO 0.20 0.42 -0.28 -0.37 -1.03 0.00 0.00 179.24 178.18 3cf3 h VAL 485 N 0.88 1.41 -0.87 4.15 -1.51 -1.97 -3.15 116.25 115.18 3cf3 h VAL 485 Ca 0.47 -1.63 0.09 0.00 -1.23 0.00 0.00 66.70 64.40 3cf3 h VAL 485 Cb 0.49 2.22 -0.12 0.00 -2.13 0.00 0.00 31.29 31.75 3cf3 h VAL 485 CO -0.28 0.47 -0.55 0.11 -1.23 0.00 0.00 177.57 176.09 3cf3 h LYS 486 N -0.11 -0.08 -0.68 5.19 1.57 -1.29 0.46 116.57 121.63 3cf3 h LYS 486 Ca -0.01 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3cf3 h LYS 486 Cb 0.90 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.20 3cf3 h LYS 486 CO 0.06 -0.05 0.45 -0.09 -0.57 0.00 0.00 179.45 179.25 3cf3 h ARG 487 N -0.08 0.88 -0.96 3.15 2.43 -1.62 -2.14 114.38 116.03 3cf3 h ARG 487 Ca 0.17 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.34 3cf3 h ARG 487 Cb 0.47 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 29.76 3cf3 h ARG 487 CO -0.87 0.58 0.62 1.49 -1.51 0.00 0.00 179.97 180.28 3cf3 h GLU 488 N 0.91 1.09 -0.78 0.20 4.22 -0.11 -1.84 114.58 118.26 3cf3 h GLU 488 Ca 0.25 -0.07 0.01 0.00 0.08 0.00 0.00 59.36 59.64 3cf3 h GLU 488 Cb -0.09 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 28.88 3cf3 h GLU 488 CO -0.06 0.72 0.52 -0.07 -2.18 0.00 0.00 179.01 177.94 3cf3 h LEU 489 N 1.13 0.89 -1.57 1.64 3.38 -0.43 -1.15 115.31 119.19 3cf3 h LEU 489 Ca 0.41 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.32 3cf3 h LEU 489 Cb 0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3cf3 h LEU 489 CO -0.17 0.64 -0.19 1.56 0.09 0.00 0.00 178.44 180.37 3cf3 h GLN 490 N 1.05 0.00 0.00 1.13 4.20 -1.28 -2.20 115.11 118.01 3cf3 h GLN 490 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 3cf3 h GLN 490 Cb -0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.68 3cf3 h GLN 490 CO -0.07 0.19 0.00 0.39 -0.67 0.00 0.00 178.83 178.67 3cf3 n GLU 491 N -3.60 0.20 -0.04 1.46 1.02 -0.44 0.37 120.64 119.60 3cf3 n GLU 491 Ca -0.01 0.34 0.01 0.00 -0.02 0.00 0.00 57.16 57.48 3cf3 n GLU 491 Cb 0.32 -1.82 -0.12 0.00 -0.02 0.00 0.00 31.44 29.81 3cf3 n GLU 491 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3cf3 n LEU 492 N -2.17 0.00 -0.02 -4.62 4.77 -0.87 -4.53 117.00 109.56 3cf3 n LEU 492 Ca 0.03 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.99 3cf3 n LEU 492 Cb 0.29 0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.52 3cf3 n LEU 492 CO 0.23 0.16 -0.60 1.33 -1.33 0.00 0.00 177.39 177.17 3cf3 n VAL 493 N -2.26 0.18 -0.07 4.08 0.24 -0.96 -4.57 118.33 114.96 3cf3 n VAL 493 Ca -0.12 -0.06 -0.11 0.00 -2.04 0.00 0.00 64.34 62.01 3cf3 n VAL 493 Cb 0.66 -0.90 -0.05 0.00 -1.47 0.00 0.00 33.84 32.08 3cf3 n VAL 493 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 3cf3 h GLN 494 N -0.04 0.39 -0.30 7.34 1.08 -0.28 -3.20 115.11 120.10 3cf3 h GLN 494 Ca -0.07 -0.12 -0.07 0.00 -1.45 0.00 0.00 58.65 56.94 3cf3 h GLN 494 Cb 1.09 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.48 3cf3 h GLN 494 CO -0.02 0.56 -0.09 1.88 -0.95 0.00 0.00 178.83 180.20 3cf3 h TYR 495 N 0.17 0.68 0.00 2.96 0.05 -1.64 -1.17 116.97 118.01 3cf3 h TYR 495 Ca 0.07 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 58.69 3cf3 h TYR 495 Cb 0.37 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 37.95 3cf3 h TYR 495 CO 0.03 0.80 0.00 -1.00 -1.05 0.00 0.00 178.16 176.94 3cf3 h PRO 496 N 0.36 0.00 0.00 4.88 0.13 -1.80 -2.29 132.00 133.28 3cf3 h PRO 496 Ca 0.07 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.07 3cf3 h PRO 496 Cb 0.59 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.69 3cf3 h PRO 496 CO 0.03 0.00 -1.51 1.55 -0.23 0.00 0.00 178.00 177.84 3cf3 n VAL 497 N -2.32 0.51 0.36 1.56 3.14 -1.18 -4.03 118.33 116.38 3cf3 n VAL 497 Ca 0.00 -0.30 0.10 0.00 -2.96 0.00 0.00 64.34 61.18 3cf3 n VAL 497 Cb 0.14 -0.81 0.27 0.00 -1.06 0.00 0.00 33.84 32.38 3cf3 n VAL 497 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3cf3 n GLU 498 N -2.33 2.31 -1.70 1.45 1.02 -0.45 -4.31 120.64 116.63 3cf3 n GLU 498 Ca -0.13 -2.01 -0.04 0.00 -0.02 0.00 0.00 57.16 54.97 3cf3 n GLU 498 Cb 0.73 -1.47 0.01 0.00 -0.02 0.00 0.00 31.44 30.70 3cf3 n GLU 498 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3cf3 n HIS 499 N 1.16 -0.67 0.19 -0.32 8.25 -0.86 -4.98 115.22 118.00 3cf3 n HIS 499 Ca 0.19 -1.00 0.08 0.00 -0.26 0.00 0.00 57.72 56.73 3cf3 n HIS 499 Cb 0.50 0.80 0.44 0.00 1.12 0.00 0.00 29.99 32.85 3cf3 n HIS 499 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3cf3 h PRO 500 N 0.53 0.00 -0.08 -0.41 0.11 -1.70 -0.28 132.00 130.17 3cf3 h PRO 500 Ca -0.49 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 3cf3 h PRO 500 Cb 1.40 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.50 3cf3 h PRO 500 CO -0.21 0.00 -0.51 0.38 -0.21 0.00 0.00 178.00 177.45 3cf3 h ASP 501 N 0.00 0.25 -0.01 -2.05 3.04 -1.92 -3.24 116.42 112.49 3cf3 h ASP 501 Ca 0.00 -0.12 -0.09 0.00 -3.24 0.00 0.00 57.03 53.57 3cf3 h ASP 501 Cb 0.59 -0.07 0.01 0.00 -1.04 0.00 0.00 39.33 38.82 3cf3 h ASP 501 CO 0.00 0.72 -0.36 0.11 -2.04 0.00 0.00 179.24 177.67 3cf3 h LYS 502 N 0.18 0.27 0.00 4.15 1.79 -1.43 -3.00 116.57 118.53 3cf3 h LYS 502 Ca 0.01 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 3cf3 h LYS 502 Cb 0.97 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 3cf3 h LYS 502 CO 0.08 0.97 0.25 0.74 -1.08 0.00 0.00 179.45 180.41 3cf3 h PHE 503 N -0.32 0.00 0.00 -1.35 0.04 -1.60 0.90 116.94 114.61 3cf3 h PHE 503 Ca -0.04 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.51 3cf3 h PHE 503 Cb 1.08 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.19 3cf3 h PHE 503 CO 0.16 0.00 -1.75 1.28 -0.60 0.00 0.00 178.31 177.40 3cf3 n LEU 504 N -2.68 0.58 -0.30 1.54 4.32 -1.21 -3.21 117.00 116.03 3cf3 n LEU 504 Ca -0.02 0.26 0.13 0.00 -0.02 0.00 0.00 56.01 56.36 3cf3 n LEU 504 Cb 0.29 0.18 0.37 0.00 -1.62 0.00 0.00 43.42 42.64 3cf3 n LEU 504 CO 0.12 0.25 1.22 0.11 -1.22 0.00 0.00 177.39 177.87 3cf3 h LYS 505 N 0.00 0.69 0.00 3.23 1.57 0.99 -2.54 116.57 120.50 3cf3 h LYS 505 Ca -0.25 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3cf3 h LYS 505 Cb 1.75 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.90 3cf3 h LYS 505 CO 0.04 0.45 -1.64 1.19 -0.57 0.00 0.00 179.45 178.92 3cf3 n PHE 506 N -4.60 0.00 0.00 -1.35 3.72 -1.16 -5.03 117.46 109.04 3cf3 n PHE 506 Ca 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 3cf3 n PHE 506 Cb 0.51 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 3cf3 n PHE 506 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3cf3 n GLY 507 N 1.48 3.03 3.61 1.37 0.00 -0.96 -5.05 105.19 108.68 3cf3 n GLY 507 Ca -0.02 -0.83 -0.44 0.00 0.00 0.00 0.00 46.02 44.73 3cf3 n GLY 507 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3cf3 n MET 508 N 0.00 1.51 -3.51 1.61 0.00 -1.26 -4.89 117.12 110.57 3cf3 n MET 508 Ca 0.00 0.53 -0.37 0.00 0.00 0.00 0.00 57.70 57.86 3cf3 n MET 508 Cb 0.00 -1.95 -0.06 0.00 0.00 0.00 0.00 33.22 31.20 3cf3 n MET 508 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3cf3 s THR 509 N -1.08 5.21 0.50 3.17 -4.23 -1.26 -4.74 115.64 113.21 3cf3 s THR 509 Ca 0.58 0.70 -0.21 0.00 -1.18 0.00 0.00 61.69 61.57 3cf3 s THR 509 Cb -0.66 -3.67 -0.08 0.00 1.34 0.00 0.00 72.50 69.42 3cf3 s THR 509 CO 0.60 0.46 0.95 -2.65 -0.54 0.00 0.00 174.62 173.45 3cf3 n PRO 510 N 2.84 1.12 -2.09 3.99 -0.02 -1.26 -4.94 135.00 134.64 3cf3 n PRO 510 Ca -0.12 0.41 -0.40 0.00 -2.02 0.00 0.00 63.50 61.37 3cf3 n PRO 510 Cb 0.52 -2.07 -0.01 0.00 -0.02 0.00 0.00 33.50 31.92 3cf3 n PRO 510 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3cf3 s SER 511 N -0.96 6.53 0.32 2.55 1.04 -1.26 -4.94 113.70 116.99 3cf3 s SER 511 Ca 0.68 2.66 0.16 0.00 0.48 0.00 0.00 55.95 59.94 3cf3 s SER 511 Cb -0.49 -2.64 0.44 0.00 0.10 0.00 0.00 66.02 63.42 3cf3 s SER 511 CO 0.53 -0.70 1.62 0.11 0.98 0.00 0.00 173.24 175.78 3cf3 h LYS 512 N 3.00 0.00 -1.11 4.02 1.57 -1.85 -3.49 116.57 118.72 3cf3 h LYS 512 Ca -0.49 0.00 0.37 0.00 -1.87 0.00 0.00 60.65 58.65 3cf3 h LYS 512 Cb 1.24 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.39 3cf3 h LYS 512 CO 0.64 0.47 0.96 0.20 -0.57 0.00 0.00 179.45 181.15 3cf3 s GLY 513 N -4.42 -0.41 0.37 3.86 0.00 -1.17 -3.13 107.32 102.42 3cf3 s GLY 513 Ca 0.01 1.16 0.08 0.00 0.00 0.00 0.00 44.72 45.98 3cf3 s GLY 513 CO 0.72 0.29 0.10 0.14 0.00 0.00 0.00 173.10 174.34 3cf3 s VAL 514 N -2.10 2.53 -0.33 1.40 1.01 -0.31 -3.13 120.40 119.46 3cf3 s VAL 514 Ca 0.14 -1.82 -0.01 0.00 0.00 0.00 0.00 61.98 60.28 3cf3 s VAL 514 Cb 0.05 -2.92 0.11 0.00 0.00 0.00 0.00 36.38 33.63 3cf3 s VAL 514 CO -0.05 -0.11 0.15 -0.22 0.00 0.00 0.00 175.10 174.87 3cf3 s LEU 515 N -3.81 1.45 0.47 3.92 0.20 -0.69 -0.87 118.68 119.36 3cf3 s LEU 515 Ca 0.38 -1.78 -0.21 0.00 0.69 0.00 0.00 54.13 53.20 3cf3 s LEU 515 Cb 0.02 -0.61 -0.08 0.00 -0.43 0.00 0.00 46.19 45.08 3cf3 s LEU 515 CO 0.21 -0.38 1.06 -0.36 -0.29 0.00 0.00 176.35 176.59 3cf3 s PHE 516 N 1.48 3.02 0.23 5.38 0.08 0.35 -2.81 117.98 125.70 3cf3 s PHE 516 Ca 0.12 1.59 -0.18 0.00 0.12 0.00 0.00 56.93 58.58 3cf3 s PHE 516 Cb -0.19 -3.12 0.02 0.00 -0.57 0.00 0.00 43.02 39.16 3cf3 s PHE 516 CO -0.20 -0.89 0.58 1.52 -0.10 0.00 0.00 175.22 176.13 3cf3 s TYR 517 N -1.87 -0.08 -3.58 0.36 -0.85 -0.94 -1.74 117.35 108.66 3cf3 s TYR 517 Ca 0.66 -0.29 0.00 0.00 -0.52 0.00 0.00 57.07 56.92 3cf3 s TYR 517 Cb -0.19 0.47 0.00 0.00 0.38 0.00 0.00 41.96 42.62 3cf3 s TYR 517 CO 0.23 -1.03 0.00 0.41 -1.52 0.00 0.00 175.55 173.64 3cf3 n GLY 518 N -0.39 0.89 3.51 5.49 0.00 -1.16 -0.94 105.19 112.59 3cf3 n GLY 518 Ca -0.07 -2.04 -0.33 0.00 0.00 0.00 0.00 46.02 43.58 3cf3 n GLY 518 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3cf3 n PRO 519 N -0.90 -0.28 -2.62 1.61 -0.04 -1.26 -4.18 135.00 127.33 3cf3 n PRO 519 Ca 0.00 -0.03 -0.41 0.00 -0.04 0.00 0.00 63.50 63.02 3cf3 n PRO 519 Cb 0.00 -2.05 -0.04 0.00 -0.04 0.00 0.00 33.50 31.37 3cf3 n PRO 519 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3cf3 s PRO 520 N -3.93 4.64 -0.07 0.54 0.02 -1.26 -4.22 135.00 130.73 3cf3 s PRO 520 Ca 0.61 1.59 -0.00 0.00 0.02 0.00 0.00 61.00 63.22 3cf3 s PRO 520 Cb -0.23 -3.33 -0.00 0.00 0.02 0.00 0.00 34.50 30.96 3cf3 s PRO 520 CO 0.63 0.14 0.06 0.41 -0.33 0.00 0.00 177.00 177.91 3cf3 n GLY 521 N 2.18 0.52 0.00 0.52 0.00 -1.26 -4.78 105.19 102.38 3cf3 n GLY 521 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3cf3 n GLY 521 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cf3 n GLY 523 N -0.22 0.72 0.33 0.00 0.00 -1.26 -4.86 105.19 99.89 3cf3 n GLY 523 Ca 0.00 -0.34 0.15 0.00 0.00 0.00 0.00 46.02 45.83 3cf3 n GLY 523 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cf3 h LYS 524 N 0.93 0.00 0.10 1.61 1.57 -1.94 -0.55 116.57 118.29 3cf3 h LYS 524 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 3cf3 h LYS 524 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3cf3 h LYS 524 CO 0.00 0.00 -1.25 1.15 -0.57 0.00 0.00 179.45 178.78 3cf3 h THR 525 N 0.00 1.12 -0.65 -0.16 2.02 -2.00 -3.22 112.91 110.02 3cf3 h THR 525 Ca 0.13 -2.40 0.11 0.00 0.77 0.00 0.00 66.41 65.02 3cf3 h THR 525 Cb 0.54 2.77 -0.04 0.00 -1.74 0.00 0.00 68.15 69.68 3cf3 h THR 525 CO -0.00 0.67 0.44 -0.07 0.37 0.00 0.00 175.52 176.93 3cf3 h LEU 526 N -0.40 0.40 -0.11 2.58 3.38 -1.84 -1.01 115.31 118.31 3cf3 h LEU 526 Ca -0.27 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 3cf3 h LEU 526 Cb 1.67 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.35 3cf3 h LEU 526 CO 0.05 0.24 -0.03 -0.07 0.09 0.00 0.00 178.44 178.71 3cf3 h LEU 527 N 0.44 0.22 -1.40 1.67 3.38 -1.24 -0.12 115.31 118.26 3cf3 h LEU 527 Ca 0.31 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.94 3cf3 h LEU 527 Cb 0.60 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3cf3 h LEU 527 CO -0.09 0.54 0.44 0.00 0.09 0.00 0.00 178.44 179.42 3cf3 h ALA 528 N 0.69 1.65 0.03 1.53 0.00 -1.23 -1.56 119.26 120.37 3cf3 h ALA 528 Ca 0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3cf3 h ALA 528 Cb 0.44 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3cf3 h ALA 528 CO 0.01 0.27 -0.01 0.87 0.00 0.00 0.00 179.25 180.39 3cf3 h LYS 529 N 0.77 -0.04 -0.93 0.00 1.57 -1.27 -3.28 116.57 113.39 3cf3 h LYS 529 Ca 0.27 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 59.20 3cf3 h LYS 529 Cb 0.11 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.35 3cf3 h LYS 529 CO -0.08 0.62 0.59 0.00 -0.57 0.00 0.00 179.45 180.02 3cf3 h ALA 530 N -0.20 1.78 0.00 3.86 0.00 -0.88 -0.04 119.26 123.77 3cf3 h ALA 530 Ca -0.00 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3cf3 h ALA 530 Cb 0.68 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3cf3 h ALA 530 CO 0.01 -0.04 -0.25 0.97 0.00 0.00 0.00 179.25 179.94 3cf3 h ILE 531 N 0.74 0.71 0.00 0.00 6.09 -1.42 -2.17 117.51 121.46 3cf3 h ILE 531 Ca 0.47 -1.09 -0.13 0.00 -1.37 0.00 0.00 64.86 62.74 3cf3 h ILE 531 Cb 0.72 1.69 -0.02 0.00 0.47 0.00 0.00 36.82 39.69 3cf3 h ILE 531 CO -0.24 0.25 -0.77 0.00 -3.07 0.00 0.00 178.15 174.32 3cf3 h ALA 532 N 1.75 0.63 -0.08 0.18 0.00 -1.09 -2.92 119.26 117.73 3cf3 h ALA 532 Ca -0.00 -0.61 -0.24 0.00 0.00 0.00 0.00 54.91 54.07 3cf3 h ALA 532 Cb 0.67 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.47 3cf3 h ALA 532 CO 0.03 0.78 -0.88 -0.97 0.00 0.00 0.00 179.25 178.21 3cf3 h ASN 533 N 0.00 0.86 -0.12 0.00 -1.24 -1.13 0.67 115.58 114.62 3cf3 h ASN 533 Ca -0.04 -0.62 0.04 0.00 0.71 0.00 0.00 56.30 56.39 3cf3 h ASN 533 Cb 1.48 -0.26 -0.05 0.00 0.73 0.00 0.00 38.32 40.23 3cf3 h ASN 533 CO 0.07 1.41 -0.17 -0.08 -1.29 0.00 0.00 177.43 177.37 3cf3 h GLU 534 N 0.45 -0.21 -0.17 6.67 4.57 -1.38 0.22 114.58 124.73 3cf3 h GLU 534 Ca -0.08 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3cf3 h GLU 534 Cb 1.51 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.15 3cf3 h GLU 534 CO 0.17 -0.14 0.00 0.00 -1.18 0.00 0.00 179.01 177.86 3cf3 n GLN 536 N 0.01 -1.77 -4.17 0.00 1.13 0.07 -4.95 117.38 107.69 3cf3 n GLN 536 Ca 0.06 0.28 -0.27 0.00 -1.94 0.00 0.00 57.00 55.14 3cf3 n GLN 536 Cb 0.15 -3.85 -0.05 0.00 0.11 0.00 0.00 30.24 26.60 3cf3 n GLN 536 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3cf3 s ALA 537 N -3.87 3.96 0.42 -1.58 0.00 0.22 -4.91 121.76 116.01 3cf3 s ALA 537 Ca 0.20 -1.51 -0.13 0.00 0.00 0.00 0.00 51.96 50.52 3cf3 s ALA 537 Cb -0.09 -0.42 -0.07 0.00 0.00 0.00 0.00 23.12 22.54 3cf3 s ALA 537 CO 0.92 -0.23 0.83 -0.80 0.00 0.00 0.00 175.76 176.49 3cf3 s ASN 538 N -4.02 6.61 -0.09 0.00 0.01 -0.70 -4.19 114.94 112.56 3cf3 s ASN 538 Ca 0.32 1.30 0.04 0.00 -0.71 0.00 0.00 52.86 53.81 3cf3 s ASN 538 Cb 0.01 -2.39 -0.01 0.00 0.41 0.00 0.00 41.25 39.28 3cf3 s ASN 538 CO 0.18 -0.42 -0.23 0.12 -1.51 0.00 0.00 177.10 175.25 3cf3 s PHE 539 N -2.37 2.55 -0.26 2.20 5.36 -0.05 -1.19 117.98 124.23 3cf3 s PHE 539 Ca 0.54 -0.86 -0.01 0.00 -0.96 0.00 0.00 56.93 55.64 3cf3 s PHE 539 Cb -0.10 -1.69 0.08 0.00 -0.34 0.00 0.00 43.02 40.97 3cf3 s PHE 539 CO 0.28 -0.31 0.04 0.42 -1.46 0.00 0.00 175.22 174.20 3cf3 s ILE 540 N 0.13 1.00 -0.53 3.12 1.01 -0.98 -3.20 121.20 121.76 3cf3 s ILE 540 Ca -0.12 -1.15 -0.15 0.00 0.00 0.00 0.00 60.65 59.23 3cf3 s ILE 540 Cb -0.16 -1.56 0.12 0.00 0.01 0.00 0.00 42.46 40.88 3cf3 s ILE 540 CO 0.07 -0.39 0.47 -0.55 0.00 0.00 0.00 174.94 174.54 3cf3 s SER 541 N 1.60 6.12 -0.84 3.58 0.15 -1.26 -1.23 113.70 121.81 3cf3 s SER 541 Ca 0.03 -1.77 -0.21 0.00 0.70 0.00 0.00 55.95 54.70 3cf3 s SER 541 Cb -0.18 -2.18 0.10 0.00 -1.71 0.00 0.00 66.02 62.05 3cf3 s SER 541 CO -0.14 -0.82 1.11 -0.63 1.20 0.00 0.00 173.24 173.96 3cf3 s ILE 542 N 1.57 4.46 0.42 6.45 1.09 -0.55 -5.01 121.20 129.63 3cf3 s ILE 542 Ca 0.03 -1.00 -0.22 0.00 -1.10 0.00 0.00 60.65 58.36 3cf3 s ILE 542 Cb -0.29 -4.79 -0.11 0.00 -1.06 0.00 0.00 42.46 36.22 3cf3 s ILE 542 CO 0.03 -1.55 0.96 -0.54 -0.10 0.00 0.00 174.94 173.73 3cf3 s LYS 543 N 3.53 4.25 0.05 2.79 1.02 -1.26 -2.82 119.74 127.29 3cf3 s LYS 543 Ca 0.31 1.18 -0.10 0.00 0.02 0.00 0.00 55.97 57.38 3cf3 s LYS 543 Cb -0.08 -2.28 -0.02 0.00 -0.52 0.00 0.00 37.83 34.93 3cf3 s LYS 543 CO -0.02 -0.02 0.66 0.41 -0.92 0.00 0.00 175.35 175.46 3cf3 n GLY 544 N -0.40 -1.36 0.56 -3.33 0.00 -1.20 -0.67 105.19 98.79 3cf3 n GLY 544 Ca 0.06 0.48 0.38 0.00 0.00 0.00 0.00 46.02 46.95 3cf3 n GLY 544 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3cf3 h PRO 545 N 0.00 0.01 0.00 1.61 0.11 -1.92 0.46 132.00 132.27 3cf3 h PRO 545 Ca 0.05 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.98 3cf3 h PRO 545 Cb 0.13 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.21 3cf3 h PRO 545 CO -0.30 0.01 -0.87 1.49 -0.21 0.00 0.00 178.00 178.12 3cf3 h GLU 546 N 0.01 0.01 -0.33 1.05 4.81 -1.27 0.29 114.58 119.15 3cf3 h GLU 546 Ca 0.64 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.71 3cf3 h GLU 546 Cb 2.54 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.92 3cf3 h GLU 546 CO -0.02 0.87 -0.35 -0.07 -0.73 0.00 0.00 179.01 178.71 3cf3 h LEU 547 N 0.00 0.88 -0.26 1.64 3.38 -0.06 -2.45 115.31 118.44 3cf3 h LEU 547 Ca -0.01 -0.48 -0.13 0.00 0.09 0.00 0.00 57.88 57.36 3cf3 h LEU 547 Cb 1.54 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 3cf3 h LEU 547 CO 0.11 1.18 -0.33 -0.07 0.09 0.00 0.00 178.44 179.42 3cf3 h LEU 548 N 0.60 0.74 -0.78 1.67 3.38 -1.18 -0.84 115.31 118.91 3cf3 h LEU 548 Ca 0.05 -0.50 0.13 0.00 0.09 0.00 0.00 57.88 57.65 3cf3 h LEU 548 Cb 0.94 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.39 3cf3 h LEU 548 CO 0.09 1.09 0.37 0.74 0.09 0.00 0.00 178.44 180.82 3cf3 h THR 549 N 0.41 0.75 -0.19 0.22 2.02 -0.34 0.38 112.91 116.17 3cf3 h THR 549 Ca 0.03 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 66.96 3cf3 h THR 549 Cb 0.91 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3cf3 h THR 549 CO 0.08 0.10 -0.10 0.24 0.37 0.00 0.00 175.52 176.21 3cf3 h MET 550 N 0.57 0.41 -0.49 6.66 2.86 -1.35 -2.54 114.93 121.04 3cf3 h MET 550 Ca 0.41 -0.18 0.06 0.00 -2.06 0.00 0.00 59.70 57.93 3cf3 h MET 550 Cb 0.55 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.15 3cf3 h MET 550 CO -0.34 0.71 0.19 2.35 1.06 0.00 0.00 176.91 180.88 3cf3 h TRP 551 N 0.09 0.34 -0.43 -0.22 7.01 0.46 0.16 115.95 123.36 3cf3 h TRP 551 Ca 0.04 0.02 -0.14 0.00 2.11 0.00 0.00 58.89 60.92 3cf3 h TRP 551 Cb 0.60 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 3cf3 h TRP 551 CO 0.07 0.13 -0.28 0.74 -2.79 0.00 0.00 178.44 176.30 3cf3 h PHE 552 N 0.38 1.12 -0.01 2.65 0.04 -0.36 -3.04 116.94 117.71 3cf3 h PHE 552 Ca 0.23 -0.30 0.00 0.00 2.80 0.00 0.00 57.97 60.70 3cf3 h PHE 552 Cb 0.22 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.12 3cf3 h PHE 552 CO -0.15 1.12 0.00 0.41 -0.60 0.00 0.00 178.31 179.10 3cf3 n GLY 553 N 0.01 -0.73 2.45 -1.45 0.00 -0.96 -4.87 105.19 99.64 3cf3 n GLY 553 Ca -0.01 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 3cf3 n GLY 553 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cf3 n GLU 554 N -0.65 -1.62 -2.74 1.61 1.02 -0.13 -4.88 120.64 113.26 3cf3 n GLU 554 Ca 0.21 1.04 -0.37 0.00 -0.02 0.00 0.00 57.16 58.02 3cf3 n GLU 554 Cb 0.16 -5.56 0.00 0.00 -0.02 0.00 0.00 31.44 26.02 3cf3 n GLU 554 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3cf3 n SER 555 N -1.63 6.49 -0.08 1.62 3.41 -0.20 -4.67 113.62 118.55 3cf3 n SER 555 Ca -0.22 -3.68 0.09 0.00 -0.26 0.00 0.00 58.87 54.80 3cf3 n SER 555 Cb 0.66 -0.99 0.49 0.00 -0.26 0.00 0.00 64.21 64.11 3cf3 n SER 555 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3cf3 n GLU 556 N -0.09 1.10 0.08 4.33 0.00 -1.26 -3.19 120.64 121.61 3cf3 n GLU 556 Ca 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 57.16 57.42 3cf3 n GLU 556 Cb 0.30 -1.28 0.27 0.00 0.00 0.00 0.00 31.44 30.73 3cf3 n GLU 556 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3cf3 h ALA 557 N 3.60 1.23 -0.53 -1.84 0.00 -1.94 -2.80 119.26 116.99 3cf3 h ALA 557 Ca 0.00 -0.33 0.14 0.00 0.00 0.00 0.00 54.91 54.72 3cf3 h ALA 557 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3cf3 h ALA 557 CO 0.00 0.51 0.37 -0.91 0.00 0.00 0.00 179.25 179.22 3cf3 h ASN 558 N 0.26 0.08 -0.77 0.00 4.21 -1.96 -2.60 115.58 114.80 3cf3 h ASN 558 Ca 0.04 0.00 0.17 0.00 1.21 0.00 0.00 56.30 57.72 3cf3 h ASN 558 Cb 0.64 -0.01 -0.14 0.00 -1.12 0.00 0.00 38.32 37.68 3cf3 h ASN 558 CO 0.05 0.04 -0.11 0.58 -1.29 0.00 0.00 177.43 176.70 3cf3 h VAL 559 N 0.09 0.26 -0.63 2.81 2.07 -1.75 0.24 116.25 119.34 3cf3 h VAL 559 Ca 0.25 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.80 3cf3 h VAL 559 Cb 0.88 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 3cf3 h VAL 559 CO -0.02 0.01 0.36 -0.09 0.02 0.00 0.00 177.57 177.84 3cf3 h ARG 560 N 0.03 0.66 -0.85 1.57 2.43 -1.68 -1.49 114.38 115.06 3cf3 h ARG 560 Ca 0.39 -0.04 0.16 0.00 -0.81 0.00 0.00 59.98 59.68 3cf3 h ARG 560 Cb 0.65 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.99 3cf3 h ARG 560 CO -0.75 0.44 0.56 1.49 -1.51 0.00 0.00 179.97 180.20 3cf3 h GLU 561 N 0.68 0.54 0.33 0.20 4.22 -0.68 -2.66 114.58 117.22 3cf3 h GLU 561 Ca 0.27 -0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.66 3cf3 h GLU 561 Cb 0.12 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3cf3 h GLU 561 CO -0.15 0.36 -0.16 0.82 -2.18 0.00 0.00 179.01 177.70 3cf3 h ILE 562 N 0.56 0.00 -0.54 2.32 2.04 -0.58 -2.85 117.51 118.46 3cf3 h ILE 562 Ca 0.43 -0.14 0.16 0.00 1.00 0.00 0.00 64.86 66.31 3cf3 h ILE 562 Cb 0.84 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3cf3 h ILE 562 CO -0.18 0.00 0.82 -0.26 0.00 0.00 0.00 178.15 178.53 3cf3 h PHE 563 N -0.58 0.00 0.06 1.37 0.04 -1.27 0.11 116.94 116.66 3cf3 h PHE 563 Ca -0.04 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 3cf3 h PHE 563 Cb 0.34 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.49 3cf3 h PHE 563 CO 0.09 0.00 -0.03 -0.44 -0.60 0.00 0.00 178.31 177.33 3cf3 h ASP 564 N 0.00 -0.06 0.07 2.17 3.32 -1.42 -2.40 116.42 118.10 3cf3 h ASP 564 Ca 0.26 -0.56 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3cf3 h ASP 564 Cb 1.89 0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.46 3cf3 h ASP 564 CO -0.00 0.65 0.00 1.17 -1.72 0.00 0.00 179.24 179.34 3cf3 n LYS 565 N -4.77 0.05 -0.10 3.56 4.81 0.34 0.03 118.16 122.09 3cf3 n LYS 565 Ca -0.07 0.25 -0.16 0.00 -0.87 0.00 0.00 58.31 57.46 3cf3 n LYS 565 Cb 0.30 -1.50 -0.13 0.00 0.02 0.00 0.00 35.03 33.72 3cf3 n LYS 565 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3cf3 n ALA 566 N -1.28 1.38 0.21 3.14 0.00 -0.98 -3.90 120.51 119.07 3cf3 n ALA 566 Ca 0.02 -1.08 0.07 0.00 0.00 0.00 0.00 53.44 52.45 3cf3 n ALA 566 Cb 0.03 -0.25 0.42 0.00 0.00 0.00 0.00 19.45 19.65 3cf3 n ALA 566 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3cf3 h ARG 567 N 0.01 0.00 -0.87 0.00 2.43 0.03 -0.99 114.38 114.99 3cf3 h ARG 567 Ca -0.53 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.42 3cf3 h ARG 567 Cb 2.02 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 31.44 3cf3 h ARG 567 CO -0.02 0.30 0.28 0.94 -1.51 0.00 0.00 179.97 179.96 3cf3 n GLN 568 N -3.55 2.74 -1.11 0.20 7.27 0.10 -3.87 117.38 119.17 3cf3 n GLN 568 Ca -0.00 -2.25 -0.01 0.00 0.07 0.00 0.00 57.00 54.80 3cf3 n GLN 568 Cb 0.45 -1.95 -0.02 0.00 2.41 0.00 0.00 30.24 31.13 3cf3 n GLN 568 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3cf3 n ALA 569 N -0.22 2.82 -1.98 1.69 0.00 -0.39 -4.86 120.51 117.58 3cf3 n ALA 569 Ca 0.34 -1.36 -0.41 0.00 0.00 0.00 0.00 53.44 52.01 3cf3 n ALA 569 Cb 1.19 -0.49 -0.04 0.00 0.00 0.00 0.00 19.45 20.11 3cf3 n ALA 569 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf3 s ALA 570 N 0.00 3.38 0.58 0.00 0.00 -1.15 -4.01 121.76 120.57 3cf3 s ALA 570 Ca 0.14 0.84 -0.19 0.00 0.00 0.00 0.00 51.96 52.75 3cf3 s ALA 570 Cb 0.16 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 3cf3 s ALA 570 CO -0.07 -0.20 1.24 -2.14 0.00 0.00 0.00 175.76 174.58 3cf3 s PRO 571 N -0.63 3.00 -0.17 0.00 0.02 -1.26 -5.05 135.00 130.92 3cf3 s PRO 571 Ca 0.48 1.92 -0.30 0.00 0.02 0.00 0.00 61.00 63.12 3cf3 s PRO 571 Cb -0.30 -2.00 0.13 0.00 0.02 0.00 0.00 34.50 32.35 3cf3 s PRO 571 CO 0.36 -1.20 1.04 0.00 -0.33 0.00 0.00 177.00 176.87 3cf3 s VAL 573 N -1.13 2.58 -0.53 0.00 -7.23 -0.34 -1.25 120.40 112.50 3cf3 s VAL 573 Ca -0.00 -1.74 -0.27 0.00 -1.81 0.00 0.00 61.98 58.16 3cf3 s VAL 573 Cb -0.01 -2.61 0.03 0.00 0.56 0.00 0.00 36.38 34.36 3cf3 s VAL 573 CO 0.00 -0.24 1.08 -0.22 -0.31 0.00 0.00 175.10 175.42 3cf3 s LEU 574 N 1.12 3.72 -0.14 1.32 2.96 -0.66 -2.31 118.68 124.69 3cf3 s LEU 574 Ca -0.02 0.09 -0.05 0.00 -0.22 0.00 0.00 54.13 53.93 3cf3 s LEU 574 Cb -0.20 -3.19 -0.04 0.00 0.50 0.00 0.00 46.19 43.26 3cf3 s LEU 574 CO -0.04 -1.31 0.06 0.12 -1.32 0.00 0.00 176.35 173.86 3cf3 s PHE 575 N 4.44 3.29 -0.30 5.38 5.36 -0.37 -1.41 117.98 134.37 3cf3 s PHE 575 Ca 0.40 0.20 0.03 0.00 -0.96 0.00 0.00 56.93 56.61 3cf3 s PHE 575 Cb -0.09 -1.95 0.08 0.00 -0.34 0.00 0.00 43.02 40.72 3cf3 s PHE 575 CO 0.26 0.38 -0.02 -0.06 -1.46 0.00 0.00 175.22 174.31 3cf3 s PHE 576 N -0.33 3.47 0.51 10.12 0.40 0.76 -1.48 117.98 131.42 3cf3 s PHE 576 Ca 0.09 -2.64 -0.06 0.00 -0.60 0.00 0.00 56.93 53.72 3cf3 s PHE 576 Cb -0.12 -2.42 -0.03 0.00 0.51 0.00 0.00 43.02 40.96 3cf3 s PHE 576 CO 0.02 -0.91 0.82 0.34 0.70 0.00 0.00 175.22 176.18 3cf3 s ASP 577 N 1.02 6.15 -1.53 1.36 2.15 -1.13 -0.22 116.67 124.48 3cf3 s ASP 577 Ca 0.01 0.91 -0.00 0.00 0.43 0.00 0.00 52.55 53.91 3cf3 s ASP 577 Cb -0.19 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 3cf3 s ASP 577 CO -0.07 -0.67 0.08 -0.62 -0.17 0.00 0.00 175.17 173.72 3cf3 n GLU 578 N -2.34 -1.35 0.21 4.34 1.02 -1.10 -3.25 120.64 118.16 3cf3 n GLU 578 Ca 0.01 0.15 0.15 0.00 -0.02 0.00 0.00 57.16 57.45 3cf3 n GLU 578 Cb 0.55 -3.76 0.77 0.00 -0.02 0.00 0.00 31.44 28.99 3cf3 n GLU 578 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3cf3 h LEU 579 N -1.79 0.00 -0.36 -4.62 6.46 -1.55 0.77 115.31 114.22 3cf3 h LEU 579 Ca -0.65 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 56.98 3cf3 h LEU 579 Cb 1.40 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.31 3cf3 h LEU 579 CO 0.70 0.00 -0.58 -2.24 -0.62 0.00 0.00 178.44 175.70 3cf3 h ASP 580 N 0.00 0.00 -0.39 1.25 2.03 -1.85 -3.38 116.42 114.08 3cf3 h ASP 580 Ca 0.07 0.00 0.05 0.00 -0.73 0.00 0.00 57.03 56.42 3cf3 h ASP 580 Cb 0.33 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.78 3cf3 h ASP 580 CO -0.00 0.58 -0.20 -1.54 -1.03 0.00 0.00 179.24 177.05 3cf3 n SER 581 N -3.40 -0.34 -0.33 4.15 3.41 0.26 0.17 113.62 117.54 3cf3 n SER 581 Ca 0.01 0.69 -0.02 0.00 -0.26 0.00 0.00 58.87 59.29 3cf3 n SER 581 Cb 0.70 -0.12 0.11 0.00 -0.26 0.00 0.00 64.21 64.64 3cf3 n SER 581 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3cf3 h ILE 582 N 0.00 1.17 0.75 -1.33 2.04 -1.79 0.07 117.51 118.42 3cf3 h ILE 582 Ca 0.10 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 3cf3 h ILE 582 Cb 0.19 -0.08 0.01 0.00 -0.74 0.00 0.00 36.82 36.20 3cf3 h ILE 582 CO -0.38 0.21 -0.36 0.00 0.00 0.00 0.00 178.15 177.63 3cf3 h ALA 583 N 1.36 -1.00 -1.01 1.87 0.00 0.15 -2.67 119.26 117.95 3cf3 h ALA 583 Ca 0.35 -0.22 0.24 0.00 0.00 0.00 0.00 54.91 55.27 3cf3 h ALA 583 Cb -0.03 0.39 -0.10 0.00 0.00 0.00 0.00 17.79 18.04 3cf3 h ALA 583 CO -0.11 -1.05 0.63 0.87 0.00 0.00 0.00 179.25 179.59 3cf3 h LYS 584 N -1.02 0.51 0.00 0.00 1.57 -0.94 -1.79 116.57 114.91 3cf3 h LYS 584 Ca -0.10 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3cf3 h LYS 584 Cb 0.77 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.97 3cf3 h LYS 584 CO 0.17 0.34 0.00 0.00 -0.57 0.00 0.00 179.45 179.39 3cf3 n ALA 585 N -2.41 -0.02 0.00 3.86 0.00 -0.02 -2.02 120.51 119.89 3cf3 n ALA 585 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3cf3 n ALA 585 Cb 0.75 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.31 3cf3 n ALA 585 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3cf3 n ARG 586 N -0.83 0.00 0.00 0.00 1.85 -1.09 -4.63 116.66 111.96 3cf3 n ARG 586 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3cf3 n ARG 586 Cb 0.00 -1.47 0.00 0.00 -1.05 0.00 0.00 32.46 29.94 3cf3 n ARG 586 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3cf3 n GLY 587 N -0.74 3.59 6.39 2.89 0.00 -0.86 -4.20 105.19 112.26 3cf3 n GLY 587 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3cf3 n GLY 587 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf3 n GLY 588 N 0.00 1.59 0.00 -0.02 0.00 -0.69 -4.08 105.19 101.99 3cf3 n GLY 588 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3cf3 n GLY 588 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cf3 n ASN 589 N 6.27 0.00 0.32 1.61 3.02 -1.26 -4.07 115.26 121.15 3cf3 n ASN 589 Ca 0.00 0.49 -0.16 0.00 -0.03 0.00 0.00 54.58 54.88 3cf3 n ASN 589 Cb 0.00 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 3cf3 n ASN 589 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 3cf3 h ILE 590 N 0.00 0.33 -0.24 2.41 3.07 -1.98 -3.48 117.51 117.62 3cf3 h ILE 590 Ca 0.00 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 66.16 3cf3 h ILE 590 Cb 0.00 0.41 0.00 0.00 -0.27 0.00 0.00 36.82 36.96 3cf3 h ILE 590 CO 0.00 0.03 0.00 0.61 -1.05 0.00 0.00 178.15 177.74 3cf3 n GLY 591 N -0.93 0.10 2.41 0.16 0.00 -1.26 -4.94 105.19 100.73 3cf3 n GLY 591 Ca -0.12 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 44.78 3cf3 n GLY 591 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cf3 n ASP 592 N -1.33 1.19 -0.47 1.61 5.75 -1.26 -4.87 116.55 117.18 3cf3 n ASP 592 Ca 0.00 -2.56 0.39 0.00 -0.01 0.00 0.00 54.79 52.61 3cf3 n ASP 592 Cb 0.00 0.73 0.69 0.00 -1.03 0.00 0.00 41.12 41.50 3cf3 n ASP 592 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3cf3 h GLY 593 N 1.16 0.86 -0.74 6.12 0.00 -1.98 -3.42 103.07 105.07 3cf3 h GLY 593 Ca -0.23 -0.08 -0.33 0.00 0.00 0.00 0.00 47.33 46.69 3cf3 h GLY 593 CO 0.36 -0.24 0.08 0.61 0.00 0.00 0.00 176.54 177.35 3cf3 n GLY 594 N -1.63 -2.79 0.00 4.60 0.00 -1.26 -5.11 105.19 99.00 3cf3 n GLY 594 Ca 0.36 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3cf3 n GLY 594 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf3 n GLY 595 N -3.59 1.45 0.10 -0.02 0.00 -1.26 -5.07 105.19 96.81 3cf3 n GLY 595 Ca 0.12 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 3cf3 n GLY 595 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cf3 n ALA 596 N -3.00 1.52 -1.74 4.61 0.00 -1.26 -4.95 120.51 115.69 3cf3 n ALA 596 Ca 0.00 -1.25 -0.36 0.00 0.00 0.00 0.00 53.44 51.83 3cf3 n ALA 596 Cb 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 19.45 19.34 3cf3 n ALA 596 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf3 s ALA 597 N -2.47 2.53 0.20 0.00 0.00 -1.26 -4.61 121.76 116.16 3cf3 s ALA 597 Ca -0.13 0.99 -0.13 0.00 0.00 0.00 0.00 51.96 52.70 3cf3 s ALA 597 Cb 0.06 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.74 3cf3 s ALA 597 CO 0.76 -1.18 0.43 0.16 0.00 0.00 0.00 175.76 175.94 3cf3 s ASP 598 N -1.63 -0.11 0.23 0.00 1.47 -1.26 -5.07 116.67 110.31 3cf3 s ASP 598 Ca 0.77 -0.76 -0.07 0.00 1.18 0.00 0.00 52.55 53.67 3cf3 s ASP 598 Cb -0.30 0.54 0.26 0.00 -0.34 0.00 0.00 42.92 43.07 3cf3 s ASP 598 CO 0.33 -1.04 1.88 0.08 0.68 0.00 0.00 175.17 177.11 3cf3 h ARG 599 N 2.33 1.05 -0.01 2.11 0.11 -1.99 -2.29 114.38 115.69 3cf3 h ARG 599 Ca -0.29 -0.06 -0.01 0.00 0.10 0.00 0.00 59.98 59.72 3cf3 h ARG 599 Cb 1.25 -0.24 0.00 0.00 1.11 0.00 0.00 29.97 32.09 3cf3 h ARG 599 CO 0.40 0.69 -0.02 0.28 0.10 0.00 0.00 179.97 181.42 3cf3 h VAL 600 N 1.08 1.47 -0.79 0.08 2.07 -1.94 -3.00 116.25 115.22 3cf3 h VAL 600 Ca 0.34 -1.42 0.05 0.00 0.82 0.00 0.00 66.70 66.49 3cf3 h VAL 600 Cb -0.00 2.41 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 3cf3 h VAL 600 CO -0.11 0.37 0.52 0.40 0.02 0.00 0.00 177.57 178.77 3cf3 h ILE 601 N -0.56 1.09 0.30 4.57 1.08 -1.97 -2.67 117.51 119.34 3cf3 h ILE 601 Ca -0.00 -0.32 -0.01 0.00 -0.39 0.00 0.00 64.86 64.14 3cf3 h ILE 601 Cb 0.62 0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 34.45 3cf3 h ILE 601 CO 0.00 0.17 -0.17 -1.13 -0.69 0.00 0.00 178.15 176.34 3cf3 h ASN 602 N 0.93 -0.41 -0.90 1.72 -1.24 -1.45 -2.77 115.58 111.47 3cf3 h ASN 602 Ca 0.33 0.02 0.10 0.00 0.71 0.00 0.00 56.30 57.45 3cf3 h ASN 602 Cb 0.12 0.12 -0.07 0.00 0.73 0.00 0.00 38.32 39.22 3cf3 h ASN 602 CO -0.10 -0.27 0.58 -0.61 -1.29 0.00 0.00 177.43 175.73 3cf3 h GLN 603 N -0.44 0.87 0.00 6.67 5.75 -1.33 0.74 115.11 127.37 3cf3 h GLN 603 Ca -0.03 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 3cf3 h GLN 603 Cb 0.35 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.70 3cf3 h GLN 603 CO 0.05 0.58 -0.06 0.82 -2.65 0.00 0.00 178.83 177.56 3cf3 h ILE 604 N 0.90 0.18 0.14 2.39 2.04 -1.31 -2.01 117.51 119.84 3cf3 h ILE 604 Ca 0.42 -0.60 -0.28 0.00 1.00 0.00 0.00 64.86 65.40 3cf3 h ILE 604 Cb 0.40 1.50 0.01 0.00 -0.74 0.00 0.00 36.82 37.99 3cf3 h ILE 604 CO -0.18 0.06 -1.27 -0.07 0.00 0.00 0.00 178.15 176.69 3cf3 h LEU 605 N 0.00 0.45 -0.33 1.44 3.38 -0.59 -1.07 115.31 118.59 3cf3 h LEU 605 Ca -0.00 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 3cf3 h LEU 605 Cb 0.50 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3cf3 h LEU 605 CO 0.01 1.38 0.08 0.74 0.09 0.00 0.00 178.44 180.74 3cf3 h THR 606 N 0.08 1.22 -0.15 0.22 2.02 -0.81 -0.29 112.91 115.21 3cf3 h THR 606 Ca -0.15 -0.75 -0.16 0.00 0.77 0.00 0.00 66.41 66.13 3cf3 h THR 606 Cb 1.99 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 69.48 3cf3 h THR 606 CO 0.21 0.25 -0.57 -0.33 0.37 0.00 0.00 175.52 175.44 3cf3 h GLU 607 N 0.37 0.46 0.00 6.66 4.39 -1.46 0.49 114.58 125.49 3cf3 h GLU 607 Ca 0.10 -0.30 -0.13 0.00 0.34 0.00 0.00 59.36 59.37 3cf3 h GLU 607 Cb 0.30 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 3cf3 h GLU 607 CO 0.00 0.90 -0.61 1.98 -1.16 0.00 0.00 179.01 180.13 3cf3 h MET 608 N 0.35 0.00 0.08 2.33 4.05 -1.09 0.80 114.93 121.44 3cf3 h MET 608 Ca 0.00 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.27 3cf3 h MET 608 Cb 1.10 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.91 3cf3 h MET 608 CO 0.10 0.61 -0.74 -0.44 0.23 0.00 0.00 176.91 176.67 3cf3 h ASP 609 N 0.00 0.25 0.11 1.39 3.32 -0.91 -3.37 116.42 117.21 3cf3 h ASP 609 Ca -0.01 -0.90 -0.00 0.00 0.02 0.00 0.00 57.03 56.15 3cf3 h ASP 609 Cb 1.09 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 3cf3 h ASP 609 CO 0.08 1.33 -0.12 1.23 -1.72 0.00 0.00 179.24 180.04 3cf3 h GLY 610 N -0.55 -0.87 -1.39 2.75 0.00 0.03 -3.44 103.07 99.60 3cf3 h GLY 610 Ca -0.16 0.39 -0.16 0.00 0.00 0.00 0.00 47.33 47.40 3cf3 h GLY 610 CO 0.04 -0.30 0.21 -0.13 0.00 0.00 0.00 176.54 176.35 3cf3 n MET 611 N -3.06 0.00 -1.71 4.80 0.00 0.27 -4.61 117.12 112.81 3cf3 n MET 611 Ca -0.03 0.00 -0.59 0.00 -0.00 0.00 0.00 57.70 57.08 3cf3 n MET 611 Cb 0.11 -0.30 -0.08 0.00 0.00 0.00 0.00 33.22 32.96 3cf3 n MET 611 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3cf3 n SER 612 N 1.18 2.22 0.16 6.12 2.88 -1.26 -4.80 113.62 120.11 3cf3 n SER 612 Ca 0.09 1.08 0.18 0.00 -1.33 0.00 0.00 58.87 58.89 3cf3 n SER 612 Cb -0.01 -1.10 0.79 0.00 -0.75 0.00 0.00 64.21 63.14 3cf3 n SER 612 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cf3 h THR 613 N 5.25 0.45 -0.39 2.46 1.03 -1.89 -1.67 112.91 118.15 3cf3 h THR 613 Ca -0.46 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.94 3cf3 h THR 613 Cb 1.33 0.76 0.00 0.00 -1.07 0.00 0.00 68.15 69.17 3cf3 h THR 613 CO 0.97 0.00 0.00 0.29 -0.01 0.00 0.00 175.52 176.77 3cf3 n LYS 614 N -3.80 1.91 0.00 0.00 5.02 -1.26 -4.89 118.16 115.14 3cf3 n LYS 614 Ca 0.04 -1.41 0.00 0.00 -2.02 0.00 0.00 58.31 54.92 3cf3 n LYS 614 Cb 0.44 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 3cf3 n LYS 614 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3cf3 n LYS 615 N 0.65 2.01 -2.50 1.97 4.76 -0.63 -5.03 118.16 119.39 3cf3 n LYS 615 Ca 0.13 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.45 3cf3 n LYS 615 Cb 0.33 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.55 3cf3 n LYS 615 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3cf3 n ASN 616 N 0.00 3.02 -4.11 4.39 2.85 -1.26 -5.04 115.26 115.11 3cf3 n ASN 616 Ca 0.00 -2.87 -0.33 0.00 -0.11 0.00 0.00 54.58 51.28 3cf3 n ASN 616 Cb 0.00 -0.44 -0.15 0.00 1.24 0.00 0.00 39.78 40.43 3cf3 n ASN 616 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3cf3 s VAL 617 N -4.17 2.19 -0.22 3.44 1.01 -1.26 -2.57 120.40 118.82 3cf3 s VAL 617 Ca 0.37 -1.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.08 3cf3 s VAL 617 Cb 0.38 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3cf3 s VAL 617 CO -0.02 0.30 0.06 0.12 0.00 0.00 0.00 175.10 175.57 3cf3 s PHE 618 N 1.23 3.14 -0.05 5.22 5.36 -0.38 -4.95 117.98 127.54 3cf3 s PHE 618 Ca -0.01 -0.22 -0.17 0.00 -0.96 0.00 0.00 56.93 55.58 3cf3 s PHE 618 Cb -0.16 -2.17 -0.05 0.00 -0.34 0.00 0.00 43.02 40.30 3cf3 s PHE 618 CO -0.09 -0.15 0.45 0.42 -1.46 0.00 0.00 175.22 174.38 3cf3 s ILE 619 N 1.11 5.08 -0.15 3.12 1.01 -1.18 -1.65 121.20 128.53 3cf3 s ILE 619 Ca 0.04 0.91 -0.01 0.00 0.00 0.00 0.00 60.65 61.60 3cf3 s ILE 619 Cb -0.14 -3.77 0.04 0.00 0.01 0.00 0.00 42.46 38.59 3cf3 s ILE 619 CO 0.03 0.46 -0.05 -0.63 0.00 0.00 0.00 174.94 174.75 3cf3 s ILE 620 N -0.28 1.04 -0.16 2.92 1.01 -0.50 -1.16 121.20 124.06 3cf3 s ILE 620 Ca 0.25 -0.54 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 3cf3 s ILE 620 Cb -0.16 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 3cf3 s ILE 620 CO 0.12 0.16 -0.06 -0.83 0.00 0.00 0.00 174.94 174.33 3cf3 s GLY 621 N 1.67 1.65 0.09 6.18 0.00 -0.05 -0.17 107.32 116.69 3cf3 s GLY 621 Ca 0.01 -0.90 0.08 0.00 0.00 0.00 0.00 44.72 43.91 3cf3 s GLY 621 CO -0.08 -0.01 -0.16 0.00 0.00 0.00 0.00 173.10 172.85 3cf3 s ALA 622 N 0.57 2.71 -0.27 3.20 0.00 0.70 -0.49 121.76 128.18 3cf3 s ALA 622 Ca -0.04 -1.28 -0.21 0.00 0.00 0.00 0.00 51.96 50.43 3cf3 s ALA 622 Cb -0.15 -0.73 0.07 0.00 0.00 0.00 0.00 23.12 22.32 3cf3 s ALA 622 CO 0.03 0.60 0.70 -0.08 0.00 0.00 0.00 175.76 177.00 3cf3 s THR 623 N -1.09 -0.00 -0.40 0.00 -1.32 -0.71 -1.91 115.64 110.21 3cf3 s THR 623 Ca 0.17 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.72 3cf3 s THR 623 Cb -0.11 -0.98 0.69 0.00 -1.51 0.00 0.00 72.50 70.59 3cf3 s THR 623 CO 0.09 0.00 1.86 -0.46 -2.21 0.00 0.00 174.62 173.90 3cf3 n ASN 624 N 3.32 4.19 -2.72 8.08 2.04 -1.26 -2.98 115.26 125.92 3cf3 n ASN 624 Ca -0.16 -3.42 -0.08 0.00 -0.44 0.00 0.00 54.58 50.47 3cf3 n ASN 624 Cb 0.57 -0.80 0.10 0.00 -2.53 0.00 0.00 39.78 37.12 3cf3 n ASN 624 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 3cf3 n ARG 625 N -0.71 1.15 -0.03 -3.83 5.12 -1.26 -4.86 116.66 112.23 3cf3 n ARG 625 Ca 0.51 -2.03 0.23 0.00 -1.93 0.00 0.00 57.85 54.63 3cf3 n ARG 625 Cb 1.55 -0.44 0.57 0.00 -1.16 0.00 0.00 32.46 32.98 3cf3 n ARG 625 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3cf3 h PRO 626 N 2.36 0.00 0.00 5.56 0.13 -1.95 -2.17 132.00 135.93 3cf3 h PRO 626 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3cf3 h PRO 626 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3cf3 h PRO 626 CO 0.05 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.42 3cf3 n ASP 627 N -3.38 0.00 0.00 1.44 5.75 -1.26 -3.11 116.55 115.99 3cf3 n ASP 627 Ca 0.14 -0.87 0.00 0.00 -0.01 0.00 0.00 54.79 54.05 3cf3 n ASP 627 Cb 1.06 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.15 3cf3 n ASP 627 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 3cf3 n ILE 628 N -0.69 0.07 -2.52 2.12 -5.35 -0.81 -5.07 119.36 107.11 3cf3 n ILE 628 Ca 0.05 -0.13 -0.36 0.00 -0.27 0.00 0.00 62.75 62.04 3cf3 n ILE 628 Cb 0.02 1.46 -0.04 0.00 -1.74 0.00 0.00 39.64 39.34 3cf3 n ILE 628 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3cf3 s ILE 629 N -0.07 3.68 -0.31 7.28 -1.09 -1.18 -4.88 121.20 124.63 3cf3 s ILE 629 Ca 0.00 1.25 -0.28 0.00 -2.23 0.00 0.00 60.65 59.39 3cf3 s ILE 629 Cb 0.00 -3.63 -0.02 0.00 -1.58 0.00 0.00 42.46 37.23 3cf3 s ILE 629 CO 0.00 -0.03 1.85 -0.62 -1.23 0.00 0.00 174.94 174.91 3cf3 s ASP 630 N -1.60 5.85 0.00 3.58 -1.08 -1.26 -4.83 116.67 117.33 3cf3 s ASP 630 Ca 0.59 1.39 0.00 0.00 -0.52 0.00 0.00 52.55 54.01 3cf3 s ASP 630 Cb -0.22 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.72 3cf3 s ASP 630 CO 0.27 -1.73 0.30 -2.65 0.52 0.00 0.00 175.17 171.88 3cf3 n PRO 631 N 8.46 0.00 0.12 4.34 -0.02 -1.26 -1.66 135.00 144.98 3cf3 n PRO 631 Ca 0.24 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.75 3cf3 n PRO 631 Cb 0.46 -1.45 0.01 0.00 -0.02 0.00 0.00 33.50 32.50 3cf3 n PRO 631 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cf3 h ALA 632 N 1.26 0.68 0.00 3.55 0.00 -1.99 -3.24 119.26 119.52 3cf3 h ALA 632 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3cf3 h ALA 632 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3cf3 h ALA 632 CO 0.00 0.61 0.00 -0.89 0.00 0.00 0.00 179.25 178.97 3cf3 n ILE 633 N -3.09 0.27 1.01 0.00 5.41 -0.66 -2.68 119.36 119.62 3cf3 n ILE 633 Ca -0.01 0.05 0.11 0.00 1.00 0.00 0.00 62.75 63.90 3cf3 n ILE 633 Cb 0.73 -0.63 0.04 0.00 -0.71 0.00 0.00 39.64 39.08 3cf3 n ILE 633 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3cf3 n LEU 634 N -1.54 2.29 -4.74 1.39 4.77 -1.22 -1.22 117.00 116.73 3cf3 n LEU 634 Ca 0.06 -0.81 -0.34 0.00 -0.03 0.00 0.00 56.01 54.89 3cf3 n LEU 634 Cb 0.30 -0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.47 3cf3 n LEU 634 CO 0.24 0.41 0.77 -0.13 -1.33 0.00 0.00 177.39 177.35 3cf3 s ARG 635 N -2.33 2.36 0.75 3.23 0.52 -1.09 -4.47 118.95 117.92 3cf3 s ARG 635 Ca 0.22 1.62 -0.13 0.00 -0.52 0.00 0.00 55.73 56.91 3cf3 s ARG 635 Cb 0.19 -1.87 0.05 0.00 0.52 0.00 0.00 34.95 33.83 3cf3 s ARG 635 CO 0.49 -1.63 1.15 -2.14 0.02 0.00 0.00 175.30 173.19 3cf3 s PRO 636 N -3.98 2.12 0.00 3.54 0.02 -1.26 -2.60 135.00 132.83 3cf3 s PRO 636 Ca 0.71 1.53 0.00 0.00 0.02 0.00 0.00 61.00 63.26 3cf3 s PRO 636 Cb -0.26 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.41 3cf3 s PRO 636 CO 0.44 -1.80 0.00 0.41 -0.33 0.00 0.00 177.00 175.71 3cf3 n GLY 637 N -0.14 2.61 0.00 0.52 0.00 -1.26 -4.89 105.19 102.04 3cf3 n GLY 637 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3cf3 n GLY 637 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cf3 n ARG 638 N -2.00 0.00 -3.00 1.61 1.74 -1.07 -4.71 116.66 109.22 3cf3 n ARG 638 Ca 0.00 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.64 3cf3 n ARG 638 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3cf3 n ARG 638 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3cf3 n LEU 639 N 0.00 6.06 0.21 0.55 4.77 -0.36 -3.02 117.00 125.21 3cf3 n LEU 639 Ca 0.00 -5.00 -0.11 0.00 -0.03 0.00 0.00 56.01 50.87 3cf3 n LEU 639 Cb 0.00 -1.40 -0.06 0.00 -2.33 0.00 0.00 43.42 39.62 3cf3 n LEU 639 CO 0.00 1.44 0.52 0.44 -1.33 0.00 0.00 177.39 178.45 3cf3 h ASP 640 N 6.04 -0.83 -2.89 -1.43 5.19 -1.70 -3.39 116.42 117.39 3cf3 h ASP 640 Ca 0.24 0.06 -0.53 0.00 -0.62 0.00 0.00 57.03 56.18 3cf3 h ASP 640 Cb 0.72 0.27 0.03 0.00 0.18 0.00 0.00 39.33 40.53 3cf3 h ASP 640 CO 1.27 -0.43 0.82 -1.10 -3.12 0.00 0.00 179.24 176.68 3cf3 s GLN 641 N -4.75 4.27 -0.21 3.56 -1.52 -1.25 -4.98 119.66 114.77 3cf3 s GLN 641 Ca -0.11 2.20 0.01 0.00 -1.95 0.00 0.00 55.36 55.51 3cf3 s GLN 641 Cb 0.02 -3.27 0.03 0.00 -0.22 0.00 0.00 33.01 29.57 3cf3 s GLN 641 CO 0.37 -0.54 -0.14 -0.51 -0.25 0.00 0.00 175.29 174.21 3cf3 s LEU 642 N 1.35 2.67 -0.14 2.90 2.01 -1.26 -1.70 118.68 124.51 3cf3 s LEU 642 Ca 0.68 -0.83 0.01 0.00 0.01 0.00 0.00 54.13 53.99 3cf3 s LEU 642 Cb -0.39 -1.55 -0.00 0.00 0.01 0.00 0.00 46.19 44.25 3cf3 s LEU 642 CO 0.31 -0.07 -0.17 -0.63 1.01 0.00 0.00 176.35 176.80 3cf3 s ILE 643 N 1.27 2.61 -0.14 -0.59 1.01 -1.13 -5.00 121.20 119.23 3cf3 s ILE 643 Ca 0.01 -0.80 -0.16 0.00 0.00 0.00 0.00 60.65 59.70 3cf3 s ILE 643 Cb -0.15 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 3cf3 s ILE 643 CO -0.09 0.53 0.37 -0.47 0.00 0.00 0.00 174.94 175.27 3cf3 s TYR 644 N 0.65 3.48 -0.47 3.97 5.04 -1.26 -2.21 117.35 126.55 3cf3 s TYR 644 Ca -0.09 0.71 0.02 0.00 -2.44 0.00 0.00 57.07 55.28 3cf3 s TYR 644 Cb -0.16 -2.42 0.12 0.00 0.35 0.00 0.00 41.96 39.85 3cf3 s TYR 644 CO 0.02 0.22 0.22 0.42 -1.34 0.00 0.00 175.55 175.09 3cf3 s ILE 645 N 0.51 2.72 0.88 3.14 1.09 -0.12 -4.96 121.20 124.45 3cf3 s ILE 645 Ca 0.20 -2.88 -0.12 0.00 -1.10 0.00 0.00 60.65 56.75 3cf3 s ILE 645 Cb -0.14 -2.89 0.12 0.00 -1.06 0.00 0.00 42.46 38.49 3cf3 s ILE 645 CO 0.06 -0.74 1.13 -2.16 -0.10 0.00 0.00 174.94 173.13 3cf3 s PRO 646 N 0.21 1.37 1.16 2.79 0.04 -1.26 -3.98 135.00 135.33 3cf3 s PRO 646 Ca 0.14 0.37 -0.13 0.00 0.04 0.00 0.00 61.00 61.42 3cf3 s PRO 646 Cb -0.23 -1.86 0.28 0.00 0.04 0.00 0.00 34.50 32.73 3cf3 s PRO 646 CO -0.03 -2.06 1.03 -0.51 0.04 0.00 0.00 177.00 175.47 3cf3 s LEU 647 N -5.97 0.83 0.33 -3.56 1.02 -1.26 -4.95 118.68 105.11 3cf3 s LEU 647 Ca 0.63 1.45 -0.27 0.00 0.02 0.00 0.00 54.13 55.96 3cf3 s LEU 647 Cb -0.15 -3.37 -0.09 0.00 0.02 0.00 0.00 46.19 42.60 3cf3 s LEU 647 CO 0.53 -4.15 1.07 -2.16 0.02 0.00 0.00 176.35 171.67 3cf3 s PRO 648 N -4.51 4.46 0.53 1.29 0.04 -1.24 -5.07 135.00 130.50 3cf3 s PRO 648 Ca 0.68 1.68 -0.04 0.00 0.04 0.00 0.00 61.00 63.36 3cf3 s PRO 648 Cb -0.24 -2.94 0.11 0.00 0.04 0.00 0.00 34.50 31.47 3cf3 s PRO 648 CO 0.64 0.08 0.73 -0.40 0.04 0.00 0.00 177.00 178.09 3cf3 n ASP 649 N 0.71 0.53 -0.29 6.66 5.75 -1.26 -4.75 116.55 123.90 3cf3 n ASP 649 Ca 0.01 -1.55 0.06 0.00 -0.01 0.00 0.00 54.79 53.30 3cf3 n ASP 649 Cb 0.47 -0.51 0.28 0.00 -1.03 0.00 0.00 41.12 40.32 3cf3 n ASP 649 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3cf3 h GLU 650 N 0.00 0.91 0.29 0.11 3.07 -1.94 -0.85 114.58 116.17 3cf3 h GLU 650 Ca -0.24 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.55 3cf3 h GLU 650 Cb 0.77 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3cf3 h GLU 650 CO 0.21 0.60 -0.14 0.87 -1.40 0.00 0.00 179.01 179.16 3cf3 h LYS 651 N 0.94 -0.38 -0.87 2.33 1.57 -1.93 -3.24 116.57 114.99 3cf3 h LYS 651 Ca 0.40 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 59.36 3cf3 h LYS 651 Cb 0.31 0.09 -0.10 0.00 0.08 0.00 0.00 32.23 32.60 3cf3 h LYS 651 CO -0.16 -0.07 0.45 0.77 -0.57 0.00 0.00 179.45 179.87 3cf3 h SER 652 N -0.98 0.55 -0.99 0.86 0.02 -1.89 -1.39 113.55 109.73 3cf3 h SER 652 Ca -0.04 0.10 0.09 0.00 -0.84 0.00 0.00 61.79 61.10 3cf3 h SER 652 Cb 0.48 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.96 3cf3 h SER 652 CO 0.07 0.21 0.63 0.03 -1.14 0.00 0.00 176.83 176.63 3cf3 h ARG 653 N 0.63 1.04 -0.52 3.45 3.08 -1.24 0.19 114.38 121.00 3cf3 h ARG 653 Ca 0.48 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.41 3cf3 h ARG 653 Cb 0.71 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3cf3 h ARG 653 CO -0.38 0.69 0.09 0.28 -1.07 0.00 0.00 179.97 179.59 3cf3 h VAL 654 N 1.08 1.25 0.00 2.04 2.07 -1.28 -2.47 116.25 118.94 3cf3 h VAL 654 Ca 0.45 -0.93 -0.11 0.00 0.82 0.00 0.00 66.70 66.93 3cf3 h VAL 654 Cb 0.32 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3cf3 h VAL 654 CO -0.21 0.34 -0.54 0.00 0.02 0.00 0.00 177.57 177.18 3cf3 h ALA 655 N 0.98 0.91 -0.13 1.67 0.00 -1.14 -3.01 119.26 118.54 3cf3 h ALA 655 Ca 0.16 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 3cf3 h ALA 655 Cb 0.39 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3cf3 h ALA 655 CO 0.01 0.67 -0.08 0.82 0.00 0.00 0.00 179.25 180.67 3cf3 h ILE 656 N 0.00 1.32 -0.21 0.00 2.04 -0.48 0.19 117.51 120.38 3cf3 h ILE 656 Ca -0.01 -1.14 0.05 0.00 1.00 0.00 0.00 64.86 64.77 3cf3 h ILE 656 Cb 1.09 1.80 -0.05 0.00 -0.74 0.00 0.00 36.82 38.92 3cf3 h ILE 656 CO 0.07 0.33 -0.09 -0.07 0.00 0.00 0.00 178.15 178.39 3cf3 h LEU 657 N -0.07 -0.31 -0.90 1.44 3.38 -1.45 0.95 115.31 118.34 3cf3 h LEU 657 Ca 0.03 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.10 3cf3 h LEU 657 Cb 0.55 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 3cf3 h LEU 657 CO 0.02 -0.12 0.59 0.11 0.09 0.00 0.00 178.44 179.13 3cf3 h LYS 658 N -0.06 1.15 0.00 1.13 1.57 -1.46 -0.99 116.57 117.90 3cf3 h LYS 658 Ca 0.11 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 3cf3 h LYS 658 Cb 0.23 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3cf3 h LYS 658 CO -0.26 0.76 -0.24 0.00 -0.57 0.00 0.00 179.45 179.14 3cf3 h ALA 659 N 1.35 1.26 -0.51 3.86 0.00 0.10 -0.42 119.26 124.89 3cf3 h ALA 659 Ca 0.35 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3cf3 h ALA 659 Cb -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3cf3 h ALA 659 CO -0.10 0.30 0.00 0.09 0.00 0.00 0.00 179.25 179.55 3cf3 n ASN 660 N -3.76 3.54 0.00 0.00 4.13 0.23 -4.15 115.26 115.26 3cf3 n ASN 660 Ca -0.01 -1.97 0.00 0.00 1.68 0.00 0.00 54.58 54.27 3cf3 n ASN 660 Cb 0.35 -0.34 0.00 0.00 -1.54 0.00 0.00 39.78 38.25 3cf3 n ASN 660 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3cf3 n LEU 661 N 1.39 0.51 -0.24 3.41 4.77 -0.44 -4.85 117.00 121.56 3cf3 n LEU 661 Ca 0.20 -0.51 -0.08 0.00 -0.03 0.00 0.00 56.01 55.59 3cf3 n LEU 661 Cb 0.58 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.63 3cf3 n LEU 661 CO 0.15 0.13 0.56 0.03 -1.33 0.00 0.00 177.39 176.93 3cf3 h ARG 662 N 0.00 -0.18 -2.01 3.23 3.08 -1.24 -1.10 114.38 116.17 3cf3 h ARG 662 Ca 0.00 0.01 -0.63 0.00 0.07 0.00 0.00 59.98 59.44 3cf3 h ARG 662 Cb 0.28 0.04 -0.22 0.00 0.08 0.00 0.00 29.97 30.15 3cf3 h ARG 662 CO 0.00 -0.12 0.72 1.63 -1.07 0.00 0.00 179.97 181.13 3cf3 n LYS 663 N -5.40 2.60 -4.08 0.04 5.02 -1.26 -4.94 118.16 110.14 3cf3 n LYS 663 Ca 0.02 -2.90 -0.08 0.00 -2.02 0.00 0.00 58.31 53.34 3cf3 n LYS 663 Cb 0.35 -2.21 -0.10 0.00 -0.02 0.00 0.00 35.03 33.05 3cf3 n LYS 663 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3cf3 s SER 664 N -0.30 0.43 -0.02 4.39 0.01 -0.42 -5.07 113.70 112.73 3cf3 s SER 664 Ca 0.56 -1.01 -0.03 0.00 1.31 0.00 0.00 55.95 56.77 3cf3 s SER 664 Cb 0.41 0.23 -0.14 0.00 0.21 0.00 0.00 66.02 66.73 3cf3 s SER 664 CO -0.31 -0.63 2.11 -2.65 0.41 0.00 0.00 173.24 172.16 3cf3 n PRO 665 N 0.06 1.05 -1.65 12.44 -0.02 -1.26 -4.94 135.00 140.67 3cf3 n PRO 665 Ca -0.12 -0.53 -0.46 0.00 -2.02 0.00 0.00 63.50 60.36 3cf3 n PRO 665 Cb 0.62 -1.77 -0.04 0.00 -0.02 0.00 0.00 33.50 32.28 3cf3 n PRO 665 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3cf3 n VAL 666 N 2.78 0.59 -1.26 -1.45 0.24 -1.26 -2.64 118.33 115.33 3cf3 n VAL 666 Ca 0.23 -0.16 -0.29 0.00 -2.04 0.00 0.00 64.34 62.07 3cf3 n VAL 666 Cb 0.47 -2.07 0.14 0.00 -1.47 0.00 0.00 33.84 30.90 3cf3 n VAL 666 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cf3 s ALA 667 N 4.89 1.52 -0.11 2.33 0.00 -0.64 -4.96 121.76 124.80 3cf3 s ALA 667 Ca 0.94 -0.17 -0.28 0.00 0.00 0.00 0.00 51.96 52.45 3cf3 s ALA 667 Cb -0.59 -3.16 -0.25 0.00 0.00 0.00 0.00 23.12 19.12 3cf3 s ALA 667 CO 0.47 -2.37 0.88 0.87 0.00 0.00 0.00 175.76 175.61 3cf3 h LYS 668 N -1.56 0.04 0.00 0.00 1.57 -1.93 -3.32 116.57 111.37 3cf3 h LYS 668 Ca -0.50 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 3cf3 h LYS 668 Cb 1.29 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3cf3 h LYS 668 CO 0.56 0.92 0.05 0.38 -0.57 0.00 0.00 179.45 180.80 3cf3 h ASP 669 N -0.83 0.00 -2.83 0.86 2.03 -1.98 -3.43 116.42 110.25 3cf3 h ASP 669 Ca -0.01 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.76 3cf3 h ASP 669 Cb 0.96 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 39.49 3cf3 h ASP 669 CO 0.01 0.00 0.88 -0.69 -1.03 0.00 0.00 179.24 178.41 3cf3 s VAL 670 N -3.69 2.95 -0.30 4.15 1.01 -1.25 -4.93 120.40 118.34 3cf3 s VAL 670 Ca -0.03 0.60 -0.11 0.00 0.00 0.00 0.00 61.98 62.44 3cf3 s VAL 670 Cb 0.08 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 3cf3 s VAL 670 CO 0.24 0.03 0.20 -0.62 0.00 0.00 0.00 175.10 174.95 3cf3 s ASP 671 N 1.53 5.96 -0.19 3.32 -1.08 -1.26 -4.98 116.67 119.97 3cf3 s ASP 671 Ca 0.70 -0.16 -0.19 0.00 -0.52 0.00 0.00 52.55 52.37 3cf3 s ASP 671 Cb -0.40 -2.11 -0.16 0.00 -1.46 0.00 0.00 42.92 38.79 3cf3 s ASP 671 CO 0.31 -0.11 0.16 -0.07 0.52 0.00 0.00 175.17 175.98 3cf3 h LEU 672 N 8.40 0.00 -1.96 -1.34 3.38 -1.97 -3.34 115.31 118.48 3cf3 h LEU 672 Ca -0.34 -0.43 0.27 0.00 0.09 0.00 0.00 57.88 57.47 3cf3 h LEU 672 Cb 1.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 3cf3 h LEU 672 CO 0.58 1.31 0.71 -0.33 0.09 0.00 0.00 178.44 180.80 3cf3 h GLU 673 N -1.00 0.00 0.35 1.13 3.07 -1.93 -0.99 114.58 115.20 3cf3 h GLU 673 Ca -0.26 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.58 3cf3 h GLU 673 Cb 1.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 3cf3 h GLU 673 CO -0.16 0.00 -0.17 0.35 -1.40 0.00 0.00 179.01 177.64 3cf3 h PHE 674 N 0.00 -0.43 -0.03 4.33 3.57 -2.00 -2.99 116.94 119.40 3cf3 h PHE 674 Ca 0.44 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.93 3cf3 h PHE 674 Cb 1.86 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 40.74 3cf3 h PHE 674 CO 0.00 -0.13 0.02 -0.07 -2.23 0.00 0.00 178.31 175.90 3cf3 h LEU 675 N -0.72 0.02 -2.55 0.59 3.38 -1.32 0.52 115.31 115.23 3cf3 h LEU 675 Ca -0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3cf3 h LEU 675 Cb 0.50 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3cf3 h LEU 675 CO 0.08 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.62 3cf3 h ALA 676 N 1.99 1.00 -0.00 1.53 0.00 -1.28 0.31 119.26 122.81 3cf3 h ALA 676 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3cf3 h ALA 676 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3cf3 h ALA 676 CO -0.00 0.00 -0.66 1.63 0.00 0.00 0.00 179.25 180.22 3cf3 n LYS 677 N -2.86 1.60 0.06 0.00 4.76 0.14 -4.33 118.16 117.53 3cf3 n LYS 677 Ca -0.02 -0.24 -0.20 0.00 -2.87 0.00 0.00 58.31 54.98 3cf3 n LYS 677 Cb 0.07 -1.28 -0.15 0.00 -1.84 0.00 0.00 35.03 31.83 3cf3 n LYS 677 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 3cf3 h MET 678 N 0.54 0.32 -6.01 1.97 2.86 -0.05 -3.47 114.93 111.09 3cf3 h MET 678 Ca 0.00 -0.54 -0.63 0.00 -2.06 0.00 0.00 59.70 56.47 3cf3 h MET 678 Cb 0.44 0.20 -0.06 0.00 0.06 0.00 0.00 31.60 32.24 3cf3 h MET 678 CO 0.00 1.21 -0.54 0.95 1.06 0.00 0.00 176.91 179.59 3cf3 s THR 679 N -2.59 5.05 0.00 2.22 -4.23 -0.33 -5.01 115.64 110.75 3cf3 s THR 679 Ca -0.14 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 3cf3 s THR 679 Cb 0.06 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.46 3cf3 s THR 679 CO 0.85 0.16 0.00 -3.20 -0.54 0.00 0.00 174.62 171.88 3cf3 n ASN 680 N 0.43 0.00 -1.10 3.99 5.15 -1.26 -4.84 115.26 117.64 3cf3 n ASN 680 Ca -0.07 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 3cf3 n ASN 680 Cb 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.76 3cf3 n ASN 680 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3cf3 n GLY 681 N 1.80 0.85 3.94 8.20 0.00 -1.26 -4.79 105.19 113.92 3cf3 n GLY 681 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3cf3 n GLY 681 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3cf3 s PHE 682 N 0.69 3.49 0.33 1.61 2.99 -1.26 -4.21 117.98 121.61 3cf3 s PHE 682 Ca 0.00 0.23 0.10 0.00 0.00 0.00 0.00 56.93 57.25 3cf3 s PHE 682 Cb 0.00 -1.76 -0.06 0.00 0.00 0.00 0.00 43.02 41.20 3cf3 s PHE 682 CO 0.00 0.46 -0.10 -1.54 -0.00 0.00 0.00 175.22 174.04 3cf3 s SER 683 N -3.15 3.78 0.34 1.36 1.04 -1.26 -3.72 113.70 112.08 3cf3 s SER 683 Ca 0.36 -1.13 0.13 0.00 0.48 0.00 0.00 55.95 55.79 3cf3 s SER 683 Cb -0.11 -0.37 1.07 0.00 0.10 0.00 0.00 66.02 66.70 3cf3 s SER 683 CO 0.29 -0.16 1.62 1.23 0.98 0.00 0.00 173.24 177.20 3cf3 h GLY 684 N 2.04 1.92 0.99 7.32 0.00 -1.13 0.23 103.07 114.44 3cf3 h GLY 684 Ca -0.42 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 46.79 3cf3 h GLY 684 CO 0.68 -0.57 0.31 0.00 0.00 0.00 0.00 176.54 176.95 3cf3 h ALA 685 N 1.90 0.59 0.30 3.60 0.00 -1.62 -1.09 119.26 122.95 3cf3 h ALA 685 Ca 0.72 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.59 3cf3 h ALA 685 Cb 1.71 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3cf3 h ALA 685 CO -0.71 0.03 -0.14 -0.44 0.00 0.00 0.00 179.25 177.99 3cf3 h ASP 686 N 0.62 -0.34 -0.58 0.00 3.32 -0.83 -1.09 116.42 117.52 3cf3 h ASP 686 Ca 0.17 -0.03 0.09 0.00 0.02 0.00 0.00 57.03 57.28 3cf3 h ASP 686 Cb -0.07 0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.50 3cf3 h ASP 686 CO -0.04 -0.19 0.19 -0.07 -1.72 0.00 0.00 179.24 177.41 3cf3 h LEU 687 N -0.47 0.15 -0.98 1.55 3.38 -1.33 -0.39 115.31 117.22 3cf3 h LEU 687 Ca -0.04 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.09 3cf3 h LEU 687 Cb 0.35 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 3cf3 h LEU 687 CO 0.07 0.09 0.63 0.74 0.09 0.00 0.00 178.44 180.06 3cf3 h THR 688 N 0.35 1.03 0.06 0.22 2.02 -0.91 -1.95 112.91 113.74 3cf3 h THR 688 Ca 0.30 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3cf3 h THR 688 Cb 0.38 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 3cf3 h THR 688 CO -0.32 0.20 -0.06 -0.08 0.37 0.00 0.00 175.52 175.63 3cf3 h GLU 689 N 1.10 -0.13 -0.54 6.66 4.57 0.23 -1.75 114.58 124.72 3cf3 h GLU 689 Ca 0.44 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.75 3cf3 h GLU 689 Cb 0.26 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 3cf3 h GLU 689 CO -0.20 -0.09 0.37 0.82 -1.18 0.00 0.00 179.01 178.73 3cf3 h ILE 690 N -0.14 0.82 0.14 2.32 2.04 -0.68 -2.32 117.51 119.69 3cf3 h ILE 690 Ca 0.00 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 3cf3 h ILE 690 Cb 0.13 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3cf3 h ILE 690 CO -0.02 0.04 -0.07 0.00 0.00 0.00 0.00 178.15 178.10 3cf3 h GLN 692 N -0.23 0.34 -0.32 0.00 4.20 -1.29 0.63 115.11 118.45 3cf3 h GLN 692 Ca -0.02 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.73 3cf3 h GLN 692 Cb 0.14 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3cf3 h GLN 692 CO 0.03 0.23 0.22 0.00 -0.67 0.00 0.00 178.83 178.64 3cf3 h ARG 693 N 0.35 0.16 -0.18 1.46 3.08 -1.41 0.94 114.38 118.78 3cf3 h ARG 693 Ca 0.70 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 60.57 3cf3 h ARG 693 Cb 1.70 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.72 3cf3 h ARG 693 CO -0.48 0.10 -0.54 0.00 -1.07 0.00 0.00 179.97 177.99 3cf3 h ALA 694 N 1.83 0.31 -0.18 0.04 0.00 0.42 -3.19 119.26 118.49 3cf3 h ALA 694 Ca 0.14 -0.51 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 3cf3 h ALA 694 Cb 0.36 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3cf3 h ALA 694 CO -0.02 0.51 -0.41 0.00 0.00 0.00 0.00 179.25 179.32 3cf3 n LYS 696 N -4.02 0.44 -0.10 0.00 5.02 0.30 -1.11 118.16 118.69 3cf3 n LYS 696 Ca -0.02 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.12 3cf3 n LYS 696 Cb 0.51 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.94 3cf3 n LYS 696 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3cf3 n LEU 697 N -0.99 2.57 -0.19 -0.35 4.77 -0.91 -4.02 117.00 117.86 3cf3 n LEU 697 Ca 0.10 -0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 56.00 3cf3 n LEU 697 Cb 0.05 -0.65 0.02 0.00 -2.33 0.00 0.00 43.42 40.51 3cf3 n LEU 697 CO 0.08 0.71 0.99 0.00 -1.33 0.00 0.00 177.39 177.84 3cf3 h ALA 698 N -0.20 0.71 0.00 -1.18 0.00 -0.67 -1.03 119.26 116.90 3cf3 h ALA 698 Ca -0.45 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 3cf3 h ALA 698 Cb 1.60 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3cf3 h ALA 698 CO -0.13 0.30 -0.33 0.82 0.00 0.00 0.00 179.25 179.90 3cf3 h ILE 699 N 0.75 0.71 0.00 0.00 2.04 -1.37 -1.65 117.51 117.99 3cf3 h ILE 699 Ca 0.19 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.54 3cf3 h ILE 699 Cb 0.16 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 3cf3 h ILE 699 CO -0.02 0.32 0.00 -1.14 0.00 0.00 0.00 178.15 177.31 3cf3 n ARG 700 N -3.38 0.05 0.00 2.37 0.63 -0.73 -3.18 116.66 112.41 3cf3 n ARG 700 Ca 0.01 0.15 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 3cf3 n ARG 700 Cb 0.53 -1.57 0.00 0.00 0.45 0.00 0.00 32.46 31.87 3cf3 n ARG 700 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3cf3 n GLU 701 N -1.66 0.00 0.32 -0.14 -0.58 -0.47 -3.88 120.64 114.23 3cf3 n GLU 701 Ca 0.05 0.08 0.08 0.00 -0.42 0.00 0.00 57.16 56.95 3cf3 n GLU 701 Cb 0.28 -0.40 0.41 0.00 -0.57 0.00 0.00 31.44 31.17 3cf3 n GLU 701 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3cf3 h SER 702 N 0.00 0.00 1.18 1.62 4.64 -1.59 1.65 113.55 121.04 3cf3 h SER 702 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cf3 h SER 702 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3cf3 h SER 702 CO 0.00 0.00 -0.78 0.40 -0.87 0.00 0.00 176.83 175.58 3cf3 h ILE 703 N 0.00 0.00 0.00 0.95 2.04 -1.76 -3.32 117.51 115.41 3cf3 h ILE 703 Ca 0.00 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 3cf3 h ILE 703 Cb 1.29 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 38.93 3cf3 h ILE 703 CO 0.00 0.00 -1.49 1.21 0.00 0.00 0.00 178.15 177.87 3cf3 n GLU 704 N -2.72 0.63 -0.05 2.37 2.13 0.56 -3.93 120.64 119.64 3cf3 n GLU 704 Ca 0.01 -0.03 -0.02 0.00 0.66 0.00 0.00 57.16 57.79 3cf3 n GLU 704 Cb 0.54 -1.68 -0.01 0.00 0.27 0.00 0.00 31.44 30.55 3cf3 n GLU 704 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3cf3 h SER 705 N 0.00 -0.01 -0.40 4.31 4.64 -1.61 -3.37 113.55 117.12 3cf3 h SER 705 Ca -0.01 -0.11 0.04 0.00 -0.47 0.00 0.00 61.79 61.24 3cf3 h SER 705 Cb 1.02 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.06 3cf3 h SER 705 CO 0.00 0.54 -0.24 -0.62 -0.87 0.00 0.00 176.83 175.65 3cf3 n GLU 706 N -4.77 -0.18 0.00 4.77 1.02 -1.25 -5.14 120.64 115.09 3cf3 n GLU 706 Ca -0.01 1.18 0.05 0.00 -0.02 0.00 0.00 57.16 58.35 3cf3 n GLU 706 Cb 0.05 -1.75 0.27 0.00 -0.02 0.00 0.00 31.44 30.00 3cf3 n GLU 706 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3cf3 n ILE 707 N -3.90 0.00 0.00 -3.67 2.08 -1.25 -5.15 119.36 107.47 3cf3 n ILE 707 Ca 0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.32 3cf3 n ILE 707 Cb 0.10 -0.78 0.00 0.00 -0.75 0.00 0.00 39.64 38.21 3cf3 n ILE 707 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3cf3 n VAL 728 N -0.94 0.00 -3.22 1.39 0.31 -1.26 -5.01 118.33 109.59 3cf3 n VAL 728 Ca 0.07 0.00 -0.46 0.00 -0.01 0.00 0.00 64.34 63.94 3cf3 n VAL 728 Cb 0.03 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.92 3cf3 n VAL 728 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3cf3 s PRO 729 N -0.34 3.08 -0.29 5.55 0.04 -1.26 -4.89 135.00 136.90 3cf3 s PRO 729 Ca 0.00 -1.62 0.01 0.00 0.04 0.00 0.00 61.00 59.43 3cf3 s PRO 729 Cb 0.00 -4.31 0.15 0.00 0.04 0.00 0.00 34.50 30.38 3cf3 s PRO 729 CO 0.00 -1.42 0.36 -1.21 0.04 0.00 0.00 177.00 174.77 3cf3 s GLU 730 N 1.93 0.38 -0.29 4.56 8.01 -1.26 -5.06 118.70 126.97 3cf3 s GLU 730 Ca 0.08 0.06 -0.39 0.00 0.01 0.00 0.00 54.97 54.73 3cf3 s GLU 730 Cb -0.25 -0.45 -0.15 0.00 -4.31 0.00 0.00 34.13 28.97 3cf3 s GLU 730 CO 0.03 -1.01 1.86 1.51 0.01 0.00 0.00 175.26 177.66 3cf3 n ILE 731 N 5.34 0.30 -3.11 -1.63 3.06 -1.08 -4.78 119.36 117.45 3cf3 n ILE 731 Ca -0.01 -0.09 0.00 0.00 -2.50 0.00 0.00 62.75 60.15 3cf3 n ILE 731 Cb 0.48 -1.33 0.00 0.00 0.54 0.00 0.00 39.64 39.34 3cf3 n ILE 731 CO 0.00 0.00 0.00 -2.11 -2.50 0.00 0.00 176.55 171.94 3cf3 n ARG 732 N 6.10 1.82 0.01 9.51 1.85 -1.26 -1.61 116.66 133.07 3cf3 n ARG 732 Ca 0.30 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 57.02 3cf3 n ARG 732 Cb 0.15 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.47 3cf3 n ARG 732 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 3cf3 h ARG 733 N 0.00 -0.06 0.00 2.89 2.43 -1.91 -3.22 114.38 114.50 3cf3 h ARG 733 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3cf3 h ARG 733 Cb 0.00 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3cf3 h ARG 733 CO 0.00 0.43 0.19 -0.40 -1.51 0.00 0.00 179.97 178.68 3cf3 n ASP 734 N -4.88 0.16 -0.02 -3.80 5.75 -1.26 -1.59 116.55 110.92 3cf3 n ASP 734 Ca -0.09 0.45 -0.07 0.00 -0.01 0.00 0.00 54.79 55.08 3cf3 n ASP 734 Cb 0.26 -0.44 -0.06 0.00 -1.03 0.00 0.00 41.12 39.86 3cf3 n ASP 734 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3cf3 h HIS 735 N 0.00 -0.07 -0.00 2.11 3.86 -1.93 -3.21 115.15 115.92 3cf3 h HIS 735 Ca 0.00 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3cf3 h HIS 735 Cb 0.39 0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 3cf3 h HIS 735 CO 0.00 0.32 -0.06 0.74 0.86 0.00 0.00 177.93 179.79 3cf3 h PHE 736 N -0.98 -0.14 -0.11 2.45 0.04 -1.42 0.03 116.94 116.80 3cf3 h PHE 736 Ca -0.01 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.80 3cf3 h PHE 736 Cb 0.42 0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.63 3cf3 h PHE 736 CO 0.10 -0.09 0.15 0.93 -0.60 0.00 0.00 178.31 178.79 3cf3 h GLU 737 N -0.10 0.00 0.00 1.51 5.08 -1.67 0.89 114.58 120.29 3cf3 h GLU 737 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3cf3 h GLU 737 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3cf3 h GLU 737 CO -0.06 0.00 -0.91 1.49 -1.00 0.00 0.00 179.01 178.53 3cf3 h GLU 738 N 0.00 0.00 -0.00 2.33 4.22 -1.38 -3.29 114.58 116.46 3cf3 h GLU 738 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.49 3cf3 h GLU 738 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3cf3 h GLU 738 CO -0.00 0.00 -0.20 0.00 -2.18 0.00 0.00 179.01 176.63 3cf3 n ALA 739 N -2.06 2.92 0.64 2.92 0.00 0.29 -3.09 120.51 122.14 3cf3 n ALA 739 Ca 0.01 -0.30 0.13 0.00 0.00 0.00 0.00 53.44 53.27 3cf3 n ALA 739 Cb 0.51 -1.26 0.30 0.00 0.00 0.00 0.00 19.45 19.00 3cf3 n ALA 739 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3cf3 n MET 740 N -0.98 0.25 0.20 0.00 2.81 -0.23 -3.82 117.12 115.35 3cf3 n MET 740 Ca 0.12 0.13 -0.15 0.00 -1.81 0.00 0.00 57.70 56.00 3cf3 n MET 740 Cb 0.31 -1.72 -0.07 0.00 -0.71 0.00 0.00 33.22 31.03 3cf3 n MET 740 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3cf3 h ARG 741 N 0.00 -0.55 -1.46 0.03 2.47 -1.72 -2.55 114.38 110.60 3cf3 h ARG 741 Ca 0.00 0.04 -0.49 0.00 -1.26 0.00 0.00 59.98 58.27 3cf3 h ARG 741 Cb 0.72 0.13 -0.20 0.00 -1.65 0.00 0.00 29.97 28.96 3cf3 h ARG 741 CO 0.00 -0.37 0.60 1.19 0.56 0.00 0.00 179.97 181.95 3cf3 n PHE 742 N -5.38 2.16 -3.06 3.04 3.01 -1.25 -4.95 117.46 111.03 3cf3 n PHE 742 Ca -0.09 -2.32 -0.40 0.00 1.01 0.00 0.00 57.45 55.65 3cf3 n PHE 742 Cb 0.29 -1.19 -0.05 0.00 -0.01 0.00 0.00 39.48 38.52 3cf3 n PHE 742 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3cf3 s ALA 743 N -2.57 3.42 0.00 4.37 0.00 -0.96 -4.98 121.76 121.04 3cf3 s ALA 743 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.42 3cf3 s ALA 743 Cb 0.36 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.51 3cf3 s ALA 743 CO -0.06 -0.28 0.00 0.54 0.00 0.00 0.00 175.76 175.96 3cf3 n ARG 744 N 4.28 2.20 -2.91 0.00 5.12 -1.26 -5.10 116.66 118.99 3cf3 n ARG 744 Ca -0.01 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.80 3cf3 n ARG 744 Cb 0.51 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.80 3cf3 n ARG 744 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3cf3 n ARG 745 N -0.37 0.57 -0.33 5.56 1.74 -1.26 -4.93 116.66 117.65 3cf3 n ARG 745 Ca 0.00 -2.27 0.18 0.00 -0.77 0.00 0.00 57.85 54.98 3cf3 n ARG 745 Cb 0.00 -1.47 0.35 0.00 -1.02 0.00 0.00 32.46 30.32 3cf3 n ARG 745 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3cf3 h SER 746 N 4.69 -0.23 -3.28 0.55 4.64 -1.98 -3.34 113.55 114.60 3cf3 h SER 746 Ca 0.03 0.26 -0.62 0.00 -0.47 0.00 0.00 61.79 60.99 3cf3 h SER 746 Cb 1.03 0.40 -0.13 0.00 -0.31 0.00 0.00 62.40 63.39 3cf3 h SER 746 CO 0.22 -0.33 0.45 -0.69 -0.87 0.00 0.00 176.83 175.60 3cf3 s VAL 747 N -5.90 4.51 0.30 0.95 1.01 -1.26 -5.03 120.40 114.97 3cf3 s VAL 747 Ca -0.12 0.18 -0.28 0.00 0.00 0.00 0.00 61.98 61.77 3cf3 s VAL 747 Cb 0.29 -4.47 -0.09 0.00 0.00 0.00 0.00 36.38 32.11 3cf3 s VAL 747 CO 0.78 -1.00 0.98 -0.94 0.00 0.00 0.00 175.10 174.91 3cf3 s SER 748 N 2.71 7.37 0.53 3.32 1.04 -1.26 -4.85 113.70 122.57 3cf3 s SER 748 Ca 0.28 1.95 0.30 0.00 0.48 0.00 0.00 55.95 58.97 3cf3 s SER 748 Cb -0.14 -2.60 1.46 0.00 0.10 0.00 0.00 66.02 64.85 3cf3 s SER 748 CO 0.19 -0.05 1.90 0.44 0.98 0.00 0.00 173.24 176.70 3cf3 h ASP 749 N 3.51 0.01 0.79 7.02 5.19 -1.96 0.39 116.42 131.38 3cf3 h ASP 749 Ca -0.46 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 55.91 3cf3 h ASP 749 Cb 1.20 -0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.72 3cf3 h ASP 749 CO 0.66 0.01 -0.38 0.78 -3.12 0.00 0.00 179.24 177.18 3cf3 h ASN 750 N 0.01 -0.90 -0.85 6.45 2.35 -2.00 -1.81 115.58 118.83 3cf3 h ASN 750 Ca 0.40 0.03 0.11 0.00 -0.55 0.00 0.00 56.30 56.29 3cf3 h ASN 750 Cb 1.60 0.23 -0.08 0.00 0.05 0.00 0.00 38.32 40.12 3cf3 h ASN 750 CO -0.01 -0.63 0.48 0.44 -1.65 0.00 0.00 177.43 176.06 3cf3 h ASP 751 N -1.10 0.67 -0.91 5.81 3.32 -1.60 -0.91 116.42 121.70 3cf3 h ASP 751 Ca -0.11 0.06 0.15 0.00 0.02 0.00 0.00 57.03 57.15 3cf3 h ASP 751 Cb 0.82 -0.07 -0.15 0.00 0.22 0.00 0.00 39.33 40.15 3cf3 h ASP 751 CO 0.18 0.36 -0.37 0.40 -1.72 0.00 0.00 179.24 178.09 3cf3 h ILE 752 N 0.77 0.04 -0.27 0.35 2.04 0.13 0.48 117.51 121.06 3cf3 h ILE 752 Ca 0.42 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 66.15 3cf3 h ILE 752 Cb 0.45 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3cf3 h ILE 752 CO -0.28 0.00 -0.37 0.03 0.00 0.00 0.00 178.15 177.53 3cf3 h ARG 753 N -0.03 0.62 -0.68 2.37 3.08 -0.36 -3.18 114.38 116.20 3cf3 h ARG 753 Ca 0.33 -0.30 0.13 0.00 0.07 0.00 0.00 59.98 60.21 3cf3 h ARG 753 Cb 0.60 -0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.52 3cf3 h ARG 753 CO -0.93 0.90 -0.20 0.87 -1.07 0.00 0.00 179.97 179.54 3cf3 h LYS 754 N 0.52 -0.02 0.00 0.04 1.57 0.11 0.87 116.57 119.65 3cf3 h LYS 754 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3cf3 h LYS 754 Cb 0.88 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3cf3 h LYS 754 CO 0.08 -0.02 0.00 0.66 -0.57 0.00 0.00 179.45 179.60 3cf3 n TYR 755 N -5.46 0.84 0.07 -1.35 4.02 -0.88 -0.45 117.16 113.95 3cf3 n TYR 755 Ca 0.08 0.33 -0.21 0.00 -0.01 0.00 0.00 57.90 58.09 3cf3 n TYR 755 Cb 0.36 -1.03 -0.13 0.00 -0.02 0.00 0.00 39.34 38.51 3cf3 n TYR 755 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 3cf3 h GLU 756 N 0.00 0.50 0.01 -0.72 4.39 0.68 -1.14 114.58 118.30 3cf3 h GLU 756 Ca 0.00 -0.70 -0.20 0.00 0.34 0.00 0.00 59.36 58.80 3cf3 h GLU 756 Cb 0.38 0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 3cf3 h GLU 756 CO 0.00 1.31 -0.92 0.52 -1.16 0.00 0.00 179.01 178.76 3cf3 h MET 757 N 0.03 0.03 -0.10 2.33 2.86 -0.55 -2.85 114.93 116.68 3cf3 h MET 757 Ca -0.17 -0.05 -0.22 0.00 -2.06 0.00 0.00 59.70 57.21 3cf3 h MET 757 Cb 1.78 0.02 0.01 0.00 0.06 0.00 0.00 31.60 33.47 3cf3 h MET 757 CO 0.20 0.93 -0.78 0.74 1.06 0.00 0.00 176.91 179.06 3cf3 h PHE 758 N 0.01 0.98 -0.04 -0.22 0.04 -0.84 -3.02 116.94 113.85 3cf3 h PHE 758 Ca -0.02 -0.46 -0.00 0.00 2.80 0.00 0.00 57.97 60.29 3cf3 h PHE 758 Cb 1.61 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 39.62 3cf3 h PHE 758 CO 0.01 1.29 0.00 0.00 -0.60 0.00 0.00 178.31 179.00 3cf3 n ALA 759 N -2.61 2.59 -0.13 2.45 0.00 -0.43 -0.48 120.51 121.91 3cf3 n ALA 759 Ca -0.09 -0.13 -0.27 0.00 0.00 0.00 0.00 53.44 52.96 3cf3 n ALA 759 Cb 0.75 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 19.08 3cf3 n ALA 759 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3cf3 n GLN 760 N 0.04 0.60 -0.01 0.00 7.27 -1.08 -3.68 117.38 120.52 3cf3 n GLN 760 Ca 0.02 0.26 -0.21 0.00 0.07 0.00 0.00 57.00 57.14 3cf3 n GLN 760 Cb 0.31 -1.52 -0.14 0.00 2.41 0.00 0.00 30.24 31.31 3cf3 n GLN 760 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 3cf3 n THR 761 N -4.06 1.76 0.15 1.69 -2.24 -1.21 -3.68 114.28 106.68 3cf3 n THR 761 Ca -0.51 -0.61 0.18 0.00 -2.27 0.00 0.00 64.05 60.85 3cf3 n THR 761 Cb 0.90 -1.75 0.79 0.00 -2.10 0.00 0.00 70.33 68.16 3cf3 n THR 761 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3cf3 h LEU 762 N -0.02 0.00 -1.85 3.22 3.38 -1.02 -3.52 115.31 115.50 3cf3 h LEU 762 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3cf3 h LEU 762 Cb 1.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.72 3cf3 h LEU 762 CO 0.06 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.59