#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1frn s SER 20 N 0.00 6.87 0.00 0.41 0.15 -1.26 -4.92 113.70 114.95 1frn s SER 20 Ca 0.00 1.20 0.25 0.00 0.70 0.00 0.00 55.95 58.10 1frn s SER 20 Cb 0.00 -2.34 0.45 0.00 -1.71 0.00 0.00 66.02 62.43 1frn s SER 20 CO 0.00 0.01 1.37 0.29 1.20 0.00 0.00 173.24 176.12 1frn n LYS 21 N 0.49 0.42 -3.68 5.44 5.02 -1.26 -4.91 118.16 119.68 1frn n LYS 21 Ca -0.02 -0.28 -0.20 0.00 -2.02 0.00 0.00 58.31 55.79 1frn n LYS 21 Cb 0.52 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 1frn n LYS 21 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1frn s LYS 22 N -2.77 2.84 -1.44 1.97 1.02 -1.26 -0.41 119.74 119.69 1frn s LYS 22 Ca 0.16 -1.22 -0.14 0.00 0.02 0.00 0.00 55.97 54.79 1frn s LYS 22 Cb 0.18 -2.58 0.04 0.00 -0.52 0.00 0.00 37.83 34.95 1frn s LYS 22 CO 0.64 0.07 2.18 -1.33 -0.92 0.00 0.00 175.35 175.99 1frn n MET 23 N -1.47 2.88 0.02 1.68 2.81 0.31 -4.59 117.12 118.76 1frn n MET 23 Ca -0.01 -2.66 -0.02 0.00 -1.81 0.00 0.00 57.70 53.20 1frn n MET 23 Cb 0.59 -3.31 -0.09 0.00 -0.71 0.00 0.00 33.22 29.70 1frn n MET 23 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1frn n GLU 24 N 6.33 0.62 -1.77 0.03 1.02 -1.26 -4.85 120.64 120.76 1frn n GLU 24 Ca 0.52 0.24 -0.42 0.00 -0.02 0.00 0.00 57.16 57.48 1frn n GLU 24 Cb 0.40 -1.81 -0.03 0.00 -0.02 0.00 0.00 31.44 29.98 1frn n GLU 24 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1frn s GLU 25 N -2.85 4.15 -0.81 3.49 8.01 -1.26 -2.86 118.70 126.57 1frn s GLU 25 Ca -0.03 2.51 -0.04 0.00 0.01 0.00 0.00 54.97 57.43 1frn s GLU 25 Cb 0.09 -3.84 0.00 0.00 -4.31 0.00 0.00 34.13 26.07 1frn s GLU 25 CO 0.81 -0.87 0.49 0.41 0.01 0.00 0.00 175.26 176.11 1frn n GLY 26 N 4.30 0.07 3.88 -1.39 0.00 -1.26 -5.02 105.19 105.76 1frn n GLY 26 Ca 0.18 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1frn n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1frn s ILE 27 N -3.02 4.77 -0.08 -0.61 -4.36 -1.13 -5.06 121.20 111.71 1frn s ILE 27 Ca 0.24 0.64 0.01 0.00 -0.26 0.00 0.00 60.65 61.28 1frn s ILE 27 Cb -0.11 -3.80 -0.03 0.00 1.25 0.00 0.00 42.46 39.78 1frn s ILE 27 CO 0.30 -0.77 -0.10 -0.89 0.24 0.00 0.00 174.94 173.71 1frn s THR 28 N -2.69 3.39 -0.05 8.37 2.01 -1.26 -5.09 115.64 120.32 1frn s THR 28 Ca 0.52 -0.59 -0.02 0.00 0.31 0.00 0.00 61.69 61.92 1frn s THR 28 Cb -0.10 -2.38 0.03 0.00 0.01 0.00 0.00 72.50 70.06 1frn s THR 28 CO 0.40 0.58 0.08 -0.69 -0.69 0.00 0.00 174.62 174.30 1frn s VAL 29 N -0.53 -0.11 -1.35 3.82 1.01 -1.26 -4.35 120.40 117.62 1frn s VAL 29 Ca 0.08 0.31 -0.07 0.00 0.00 0.00 0.00 61.98 62.30 1frn s VAL 29 Cb -0.12 -0.17 0.02 0.00 0.00 0.00 0.00 36.38 36.11 1frn s VAL 29 CO 0.02 0.13 1.06 0.59 0.00 0.00 0.00 175.10 176.90 1frn n ASN 30 N 4.79 -4.63 -0.20 3.32 5.03 -0.23 -4.87 115.26 118.47 1frn n ASN 30 Ca -0.15 -0.63 -0.07 0.00 0.87 0.00 0.00 54.58 54.61 1frn n ASN 30 Cb 0.50 -4.74 0.03 0.00 -1.02 0.00 0.00 39.78 34.55 1frn n ASN 30 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 1frn h LYS 31 N -2.34 0.80 -5.48 3.52 3.64 -1.51 -3.42 116.57 111.79 1frn h LYS 31 Ca -0.58 -0.08 -0.65 0.00 -1.27 0.00 0.00 60.65 58.07 1frn h LYS 31 Cb 1.36 -0.16 -0.22 0.00 -0.41 0.00 0.00 32.23 32.80 1frn h LYS 31 CO 0.57 0.59 -0.69 -0.06 -2.27 0.00 0.00 179.45 177.59 1frn s PHE 32 N -5.94 2.97 0.28 1.91 0.08 -0.80 -4.98 117.98 111.51 1frn s PHE 32 Ca -0.13 -0.29 0.11 0.00 0.12 0.00 0.00 56.93 56.74 1frn s PHE 32 Cb 0.13 -1.89 -0.05 0.00 -0.57 0.00 0.00 43.02 40.64 1frn s PHE 32 CO 0.76 0.01 -0.13 0.15 -0.10 0.00 0.00 175.22 175.91 1frn s LYS 33 N 0.11 1.87 0.49 0.44 1.02 -1.11 -0.81 119.74 121.74 1frn s LYS 33 Ca -0.02 -1.68 0.23 0.00 0.02 0.00 0.00 55.97 54.52 1frn s LYS 33 Cb -0.14 -1.88 1.27 0.00 -0.52 0.00 0.00 37.83 36.57 1frn s LYS 33 CO 0.03 0.32 1.93 -1.35 -0.92 0.00 0.00 175.35 175.37 1frn h PRO 34 N 2.14 0.17 0.00 -1.68 0.11 -1.98 0.51 132.00 131.27 1frn h PRO 34 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1frn h PRO 34 Cb 1.26 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1frn h PRO 34 CO 0.61 0.11 0.00 0.87 -0.21 0.00 0.00 178.00 179.38 1frn h LYS 35 N 0.18 0.00 -0.99 1.05 1.57 -2.01 -3.38 116.57 113.00 1frn h LYS 35 Ca 0.35 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.75 1frn h LYS 35 Cb 1.14 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.18 1frn h LYS 35 CO -0.06 0.00 -0.80 0.25 -0.57 0.00 0.00 179.45 178.27 1frn n THR 36 N -2.53 -0.33 -1.53 -0.16 -2.24 0.15 -5.13 114.28 102.50 1frn n THR 36 Ca 0.05 -2.75 -0.30 0.00 -2.27 0.00 0.00 64.05 58.78 1frn n THR 36 Cb 0.45 -0.17 0.10 0.00 -2.10 0.00 0.00 70.33 68.61 1frn n THR 36 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1frn s PRO 37 N -0.27 1.87 -0.06 -0.78 0.04 0.58 -2.74 135.00 133.66 1frn s PRO 37 Ca 0.33 0.59 -0.15 0.00 0.04 0.00 0.00 61.00 61.82 1frn s PRO 37 Cb 0.21 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.80 1frn s PRO 37 CO -0.18 -1.76 0.39 -0.47 0.04 0.00 0.00 177.00 175.03 1frn s TYR 38 N -3.16 3.63 -0.47 0.56 5.04 0.11 -4.84 117.35 118.22 1frn s TYR 38 Ca 0.61 0.89 -0.14 0.00 -2.44 0.00 0.00 57.07 56.00 1frn s TYR 38 Cb -0.15 -2.35 0.09 0.00 0.35 0.00 0.00 41.96 39.91 1frn s TYR 38 CO 0.54 0.47 0.38 0.08 -1.34 0.00 0.00 175.55 175.68 1frn s VAL 39 N -0.43 4.90 0.42 3.14 1.01 -1.26 -0.09 120.40 128.10 1frn s VAL 39 Ca 0.23 -1.28 0.06 0.00 0.00 0.00 0.00 61.98 60.98 1frn s VAL 39 Cb -0.16 -4.01 0.06 0.00 0.00 0.00 0.00 36.38 32.28 1frn s VAL 39 CO 0.11 -0.63 0.51 0.61 0.00 0.00 0.00 175.10 175.70 1frn n GLY 40 N 5.12 2.19 3.23 4.51 0.00 0.23 -4.84 105.19 115.63 1frn n GLY 40 Ca -0.12 -2.22 -0.22 0.00 0.00 0.00 0.00 46.02 43.47 1frn n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1frn s ARG 41 N -3.86 1.01 0.01 1.61 3.52 -1.22 0.00 118.95 120.02 1frn s ARG 41 Ca 0.39 -1.06 -0.28 0.00 -0.13 0.00 0.00 55.73 54.65 1frn s ARG 41 Cb -0.03 -1.16 -0.04 0.00 -1.56 0.00 0.00 34.95 32.16 1frn s ARG 41 CO 0.25 0.27 0.88 0.00 -0.81 0.00 0.00 175.30 175.88 1frn n LEU 43 N 3.52 2.12 -3.91 0.00 4.77 -0.38 0.12 117.00 123.24 1frn n LEU 43 Ca 0.02 0.26 -0.10 0.00 -0.03 0.00 0.00 56.01 56.16 1frn n LEU 43 Cb 0.51 -0.83 -0.10 0.00 -2.33 0.00 0.00 43.42 40.66 1frn n LEU 43 CO 0.50 0.64 -0.24 -0.76 -1.33 0.00 0.00 177.39 176.20 1frn s LEU 44 N -7.35 1.81 -0.22 2.23 1.02 -1.16 -4.69 118.68 110.32 1frn s LEU 44 Ca -0.38 -0.31 -0.04 0.00 0.02 0.00 0.00 54.13 53.42 1frn s LEU 44 Cb 0.14 0.46 0.11 0.00 0.02 0.00 0.00 46.19 46.92 1frn s LEU 44 CO 0.51 -0.34 0.29 0.21 0.02 0.00 0.00 176.35 177.04 1frn s ASN 45 N -1.41 0.81 0.05 2.29 3.84 -1.26 -0.62 114.94 118.64 1frn s ASN 45 Ca -0.15 0.03 0.07 0.00 0.21 0.00 0.00 52.86 53.01 1frn s ASN 45 Cb -0.08 0.73 -0.03 0.00 -0.55 0.00 0.00 41.25 41.32 1frn s ASN 45 CO 0.01 -0.31 -0.19 -0.89 -2.79 0.00 0.00 177.10 172.93 1frn s THR 46 N 2.43 1.49 -0.06 -5.21 2.01 -0.23 -4.98 115.64 111.09 1frn s THR 46 Ca 0.09 -1.18 -0.30 0.00 0.31 0.00 0.00 61.69 60.61 1frn s THR 46 Cb -0.15 -1.32 -0.02 0.00 0.01 0.00 0.00 72.50 71.02 1frn s THR 46 CO -0.14 0.10 0.99 -0.75 -0.69 0.00 0.00 174.62 174.13 1frn s LYS 47 N -1.26 4.48 0.00 4.92 2.20 -1.26 -0.91 119.74 127.90 1frn s LYS 47 Ca 0.05 1.39 0.18 0.00 -0.36 0.00 0.00 55.97 57.23 1frn s LYS 47 Cb -0.09 -3.50 0.16 0.00 -1.51 0.00 0.00 37.83 32.89 1frn s LYS 47 CO 0.02 -0.19 1.10 0.44 -0.36 0.00 0.00 175.35 176.36 1frn n ILE 48 N 4.25 0.04 -4.10 5.43 -5.35 0.11 -4.92 119.36 114.82 1frn n ILE 48 Ca 0.07 -0.52 -0.22 0.00 -0.27 0.00 0.00 62.75 61.81 1frn n ILE 48 Cb 0.50 1.35 -0.05 0.00 -1.74 0.00 0.00 39.64 39.70 1frn n ILE 48 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1frn s THR 49 N -1.51 4.19 0.84 7.28 -4.23 -1.22 -4.88 115.64 116.12 1frn s THR 49 Ca 0.22 -1.47 -0.12 0.00 -1.18 0.00 0.00 61.69 59.14 1frn s THR 49 Cb 0.16 -3.30 0.10 0.00 1.34 0.00 0.00 72.50 70.79 1frn s THR 49 CO 0.23 -0.33 1.16 -0.83 -0.54 0.00 0.00 174.62 174.31 1frn s GLY 50 N -3.84 1.59 0.31 3.99 0.00 -0.65 -4.95 107.32 103.77 1frn s GLY 50 Ca 0.34 -0.59 0.02 0.00 0.00 0.00 0.00 44.72 44.49 1frn s GLY 50 CO 0.24 -0.08 1.85 -0.55 0.00 0.00 0.00 173.10 174.56 1frn h ASP 51 N -1.20 0.61 -0.02 1.64 3.32 -1.99 -2.98 116.42 115.81 1frn h ASP 51 Ca -0.48 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 56.47 1frn h ASP 51 Cb 1.33 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 1frn h ASP 51 CO 0.64 0.65 -0.15 -0.78 -1.72 0.00 0.00 179.24 177.88 1frn h ASP 52 N 0.63 -0.48 0.00 6.45 1.82 -1.94 -3.46 116.42 119.44 1frn h ASP 52 Ca 0.14 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.83 1frn h ASP 52 Cb 0.32 0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.52 1frn h ASP 52 CO 0.01 -0.14 0.00 0.00 -1.61 0.00 0.00 179.24 177.49 1frn n ALA 53 N -2.66 -0.81 -2.64 -0.78 0.00 -1.13 -4.80 120.51 107.68 1frn n ALA 53 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 1frn n ALA 53 Cb 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 1frn n ALA 53 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1frn s PRO 54 N 0.00 3.25 0.00 0.00 0.04 -1.26 -4.80 135.00 132.23 1frn s PRO 54 Ca 0.00 -0.58 0.00 0.00 0.04 0.00 0.00 61.00 60.46 1frn s PRO 54 Cb 0.00 -4.39 0.00 0.00 0.04 0.00 0.00 34.50 30.15 1frn s PRO 54 CO 0.00 -2.06 0.00 0.41 0.04 0.00 0.00 177.00 175.39 1frn n GLY 55 N 5.59 0.15 3.69 0.56 0.00 -1.26 -5.01 105.19 108.91 1frn n GLY 55 Ca 0.07 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 1frn n GLY 55 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1frn s GLU 56 N -3.98 2.84 -0.11 1.61 -1.05 -1.26 -4.97 118.70 111.77 1frn s GLU 56 Ca 0.00 -0.57 0.02 0.00 -0.15 0.00 0.00 54.97 54.27 1frn s GLU 56 Cb 0.00 -2.70 -0.01 0.00 -0.44 0.00 0.00 34.13 30.98 1frn s GLU 56 CO 0.00 0.64 -0.18 0.99 0.95 0.00 0.00 175.26 177.66 1frn s THR 57 N -1.06 2.61 0.04 1.83 2.01 -1.26 0.20 115.64 120.01 1frn s THR 57 Ca 0.19 -0.83 0.07 0.00 0.31 0.00 0.00 61.69 61.42 1frn s THR 57 Cb -0.11 -2.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 1frn s THR 57 CO 0.09 0.55 -0.17 0.26 -0.69 0.00 0.00 174.62 174.66 1frn s TRP 58 N 0.24 2.60 -0.26 4.92 0.52 0.91 0.09 118.94 127.95 1frn s TRP 58 Ca -0.12 -0.23 -0.05 0.00 0.02 0.00 0.00 56.10 55.72 1frn s TRP 58 Cb -0.16 -1.48 0.01 0.00 -1.15 0.00 0.00 33.47 30.69 1frn s TRP 58 CO 0.06 0.27 0.01 -1.58 0.02 0.00 0.00 176.95 175.73 1frn s HIS 59 N -0.93 3.08 0.06 -1.98 2.46 -0.09 -0.43 115.29 117.46 1frn s HIS 59 Ca 0.15 -1.14 0.05 0.00 0.47 0.00 0.00 55.06 54.59 1frn s HIS 59 Cb -0.11 -2.16 -0.03 0.00 -0.13 0.00 0.00 32.58 30.16 1frn s HIS 59 CO 0.06 -0.61 -0.15 0.00 -2.47 0.00 0.00 174.74 171.56 1frn s MET 60 N 1.44 0.95 -0.07 2.88 0.23 -0.52 -1.06 119.30 123.15 1frn s MET 60 Ca 0.02 -0.88 0.03 0.00 -1.03 0.00 0.00 55.69 53.84 1frn s MET 60 Cb -0.16 -1.00 0.01 0.00 -1.53 0.00 0.00 34.83 32.14 1frn s MET 60 CO -0.01 0.24 -0.17 0.08 -2.03 0.00 0.00 175.02 173.13 1frn s VAL 61 N -1.02 1.50 0.14 5.16 1.01 0.20 -0.74 120.40 126.65 1frn s VAL 61 Ca 0.01 -0.70 0.10 0.00 0.00 0.00 0.00 61.98 61.39 1frn s VAL 61 Cb -0.09 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1frn s VAL 61 CO 0.02 0.43 -0.20 -0.36 0.00 0.00 0.00 175.10 174.99 1frn s PHE 62 N 0.42 2.47 0.00 5.22 0.08 0.12 -1.26 117.98 125.03 1frn s PHE 62 Ca -0.14 -0.30 -0.27 0.00 0.12 0.00 0.00 56.93 56.35 1frn s PHE 62 Cb -0.16 -1.29 -0.04 0.00 -0.57 0.00 0.00 43.02 40.96 1frn s PHE 62 CO 0.05 0.40 0.86 0.45 -0.10 0.00 0.00 175.22 176.89 1frn s SER 63 N -2.26 7.25 0.00 1.36 0.15 -0.06 -0.12 113.70 120.01 1frn s SER 63 Ca 0.18 1.51 0.00 0.00 0.70 0.00 0.00 55.95 58.34 1frn s SER 63 Cb -0.10 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1frn s SER 63 CO 0.10 -0.15 0.40 0.00 1.20 0.00 0.00 173.24 174.79 1frn n HIS 64 N 3.57 0.00 -2.05 3.44 1.44 0.51 -3.40 115.22 118.74 1frn n HIS 64 Ca 0.02 -0.08 -0.14 0.00 -2.01 0.00 0.00 57.72 55.51 1frn n HIS 64 Cb 0.51 -0.01 -0.03 0.00 0.12 0.00 0.00 29.99 30.58 1frn n HIS 64 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1frn n GLU 65 N -0.08 -1.81 -0.96 -1.40 -0.58 -0.85 0.26 120.64 115.22 1frn n GLU 65 Ca 0.00 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.49 1frn n GLU 65 Cb 0.25 -5.24 0.00 0.00 -0.57 0.00 0.00 31.44 25.88 1frn n GLU 65 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1frn n GLY 66 N -0.63 0.90 0.24 0.62 0.00 -1.25 -4.88 105.19 100.18 1frn n GLY 66 Ca -0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.00 1frn n GLY 66 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1frn h GLU 67 N 2.72 0.00 -3.98 1.61 4.39 -0.51 -3.38 114.58 115.43 1frn h GLU 67 Ca 0.00 0.00 -0.72 0.00 0.34 0.00 0.00 59.36 58.98 1frn h GLU 67 Cb 0.00 0.00 -0.32 0.00 -0.10 0.00 0.00 28.75 28.33 1frn h GLU 67 CO 0.00 0.03 -0.35 0.42 -1.16 0.00 0.00 179.01 177.95 1frn s ILE 68 N -3.41 3.99 -1.40 3.13 1.01 -1.26 -5.00 121.20 118.26 1frn s ILE 68 Ca 0.04 -2.42 -0.15 0.00 0.00 0.00 0.00 60.65 58.12 1frn s ILE 68 Cb 0.07 -3.61 0.06 0.00 0.01 0.00 0.00 42.46 38.99 1frn s ILE 68 CO 0.62 -0.83 2.05 -0.81 0.00 0.00 0.00 174.94 175.96 1frn n PRO 69 N 4.13 3.01 -2.40 2.79 -0.04 -1.26 -4.97 135.00 136.26 1frn n PRO 69 Ca 0.02 -2.88 -0.27 0.00 -0.04 0.00 0.00 63.50 60.33 1frn n PRO 69 Cb 0.40 -3.31 0.03 0.00 -0.04 0.00 0.00 33.50 30.58 1frn n PRO 69 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1frn s TYR 70 N 3.24 3.26 0.18 0.54 -0.85 -1.26 -4.33 117.35 118.13 1frn s TYR 70 Ca 0.48 0.65 0.11 0.00 -0.52 0.00 0.00 57.07 57.79 1frn s TYR 70 Cb 0.11 -2.73 -0.04 0.00 0.38 0.00 0.00 41.96 39.67 1frn s TYR 70 CO -0.03 -0.81 -0.24 0.50 -1.52 0.00 0.00 175.55 173.45 1frn s ARG 71 N -4.98 1.52 0.20 -3.49 3.52 -1.26 -4.66 118.95 109.79 1frn s ARG 71 Ca 0.54 -1.49 -0.32 0.00 -0.13 0.00 0.00 55.73 54.32 1frn s ARG 71 Cb -0.11 -1.86 -0.15 0.00 -1.56 0.00 0.00 34.95 31.27 1frn s ARG 71 CO 0.45 0.41 1.28 0.39 -0.81 0.00 0.00 175.30 177.02 1frn n GLU 72 N 0.36 1.57 -0.00 5.12 4.71 -1.26 -1.88 120.64 129.25 1frn n GLU 72 Ca -0.13 0.56 0.00 0.00 -0.01 0.00 0.00 57.16 57.58 1frn n GLU 72 Cb 0.55 -2.13 0.00 0.00 -1.01 0.00 0.00 31.44 28.85 1frn n GLU 72 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1frn n GLY 73 N 2.11 0.11 3.94 0.62 0.00 -1.26 -4.26 105.19 106.45 1frn n GLY 73 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 1frn n GLY 73 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1frn s GLN 74 N -0.97 2.20 0.37 1.61 -0.21 -0.79 -4.28 119.66 117.60 1frn s GLN 74 Ca 0.00 -0.39 0.09 0.00 0.02 0.00 0.00 55.36 55.08 1frn s GLN 74 Cb 0.00 -2.23 -0.07 0.00 1.00 0.00 0.00 33.01 31.71 1frn s GLN 74 CO 0.00 -1.18 -0.06 -1.12 -2.12 0.00 0.00 175.29 170.81 1frn s SER 75 N -4.52 3.79 0.11 5.90 0.01 -0.20 -0.94 113.70 117.85 1frn s SER 75 Ca 0.60 -1.26 0.05 0.00 1.31 0.00 0.00 55.95 56.65 1frn s SER 75 Cb -0.10 -0.37 -0.04 0.00 0.21 0.00 0.00 66.02 65.72 1frn s SER 75 CO 0.44 -0.29 -0.13 0.68 0.41 0.00 0.00 173.24 174.34 1frn s VAL 76 N -2.65 1.22 0.06 3.43 -7.23 -0.75 0.22 120.40 114.69 1frn s VAL 76 Ca 0.33 -1.65 -0.02 0.00 -1.81 0.00 0.00 61.98 58.83 1frn s VAL 76 Cb 0.05 -1.44 -0.04 0.00 0.56 0.00 0.00 36.38 35.51 1frn s VAL 76 CO 0.17 -0.42 0.25 -0.83 -0.31 0.00 0.00 175.10 173.96 1frn s GLY 77 N -2.36 2.21 -0.05 2.32 0.00 0.44 -1.85 107.32 108.02 1frn s GLY 77 Ca 0.07 -0.73 0.06 0.00 0.00 0.00 0.00 44.72 44.12 1frn s GLY 77 CO 0.02 -0.66 -0.23 0.14 0.00 0.00 0.00 173.10 172.37 1frn s VAL 78 N -1.48 2.26 -0.37 1.40 1.01 0.00 -0.03 120.40 123.20 1frn s VAL 78 Ca 0.34 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 1frn s VAL 78 Cb -0.13 -1.82 0.08 0.00 0.00 0.00 0.00 36.38 34.51 1frn s VAL 78 CO 0.24 0.57 0.13 -0.63 0.00 0.00 0.00 175.10 175.42 1frn s ILE 79 N -0.36 3.30 0.41 2.22 1.01 -1.00 -1.37 121.20 125.42 1frn s ILE 79 Ca 0.03 -1.70 -0.25 0.00 0.00 0.00 0.00 60.65 58.72 1frn s ILE 79 Cb -0.12 -3.09 -0.08 0.00 0.01 0.00 0.00 42.46 39.17 1frn s ILE 79 CO 0.02 -0.44 1.26 -2.16 0.00 0.00 0.00 174.94 173.62 1frn s PRO 80 N 1.22 3.96 0.69 2.79 0.04 -1.26 -4.33 135.00 138.11 1frn s PRO 80 Ca 0.03 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 62.95 1frn s PRO 80 Cb -0.21 -2.70 0.02 0.00 0.04 0.00 0.00 34.50 31.64 1frn s PRO 80 CO -0.02 -0.47 1.24 -0.51 0.04 0.00 0.00 177.00 177.28 1frn s ASP 81 N -0.89 4.39 0.00 6.66 1.01 -1.26 -4.42 116.67 122.16 1frn s ASP 81 Ca 0.58 2.46 0.00 0.00 0.71 0.00 0.00 52.55 56.30 1frn s ASP 81 Cb -0.35 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 40.97 1frn s ASP 81 CO 0.45 -2.14 0.00 0.61 0.21 0.00 0.00 175.17 174.31 1frn n GLY 82 N 0.61 -0.90 3.38 0.21 0.00 -1.26 -4.94 105.19 102.29 1frn n GLY 82 Ca 0.14 -2.20 -0.20 0.00 0.00 0.00 0.00 46.02 43.77 1frn n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1frn s GLU 83 N -0.22 1.43 0.66 1.61 2.02 -1.26 -3.58 118.70 119.36 1frn s GLU 83 Ca 0.00 -1.66 -0.11 0.00 0.02 0.00 0.00 54.97 53.21 1frn s GLU 83 Cb 0.00 -1.20 0.16 0.00 0.10 0.00 0.00 34.13 33.18 1frn s GLU 83 CO 0.00 0.16 0.81 -0.40 0.02 0.00 0.00 175.26 175.85 1frn n ASP 84 N -0.46 -0.38 0.00 -0.19 5.68 0.73 -4.78 116.55 117.14 1frn n ASP 84 Ca -0.07 -1.21 0.00 0.00 -0.50 0.00 0.00 54.79 53.01 1frn n ASP 84 Cb 0.61 -0.65 0.02 0.00 -1.14 0.00 0.00 41.12 39.96 1frn n ASP 84 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1frn n LYS 85 N -3.01 0.01 -0.25 0.11 2.85 -1.26 -0.24 118.16 116.37 1frn n LYS 85 Ca 0.10 0.38 0.06 0.00 -1.05 0.00 0.00 58.31 57.81 1frn n LYS 85 Cb 0.37 -1.50 0.17 0.00 -0.65 0.00 0.00 35.03 33.42 1frn n LYS 85 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1frn n ASN 86 N -1.39 3.13 0.00 -5.58 3.02 -1.26 -4.96 115.26 108.23 1frn n ASN 86 Ca 0.00 -2.44 0.00 0.00 -0.03 0.00 0.00 54.58 52.11 1frn n ASN 86 Cb 0.01 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 1frn n ASN 86 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1frn n GLY 87 N -0.10 0.37 3.95 7.41 0.00 0.67 -5.00 105.19 112.50 1frn n GLY 87 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 1frn n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1frn s LYS 88 N -0.58 3.41 0.53 1.61 1.02 -1.26 -4.76 119.74 119.71 1frn s LYS 88 Ca 0.00 -0.50 -0.20 0.00 0.02 0.00 0.00 55.97 55.30 1frn s LYS 88 Cb 0.00 -2.72 -0.06 0.00 -0.52 0.00 0.00 37.83 34.53 1frn s LYS 88 CO 0.00 0.17 1.11 -1.25 -0.92 0.00 0.00 175.35 174.46 1frn s PRO 89 N -4.25 3.44 0.86 -1.68 0.05 -1.26 0.26 135.00 132.42 1frn s PRO 89 Ca 0.40 1.57 -0.12 0.00 0.05 0.00 0.00 61.00 62.90 1frn s PRO 89 Cb -0.09 -2.02 0.11 0.00 0.05 0.00 0.00 34.50 32.55 1frn s PRO 89 CO 0.34 -0.77 1.17 -1.01 0.05 0.00 0.00 177.00 176.79 1frn s HIS 90 N -1.81 1.72 0.45 0.56 3.76 -1.24 -4.53 115.29 114.21 1frn s HIS 90 Ca 0.72 1.74 -0.21 0.00 -0.15 0.00 0.00 55.06 57.16 1frn s HIS 90 Cb -0.22 -3.41 -0.10 0.00 1.11 0.00 0.00 32.58 29.96 1frn s HIS 90 CO 0.26 -2.81 0.98 0.15 -0.85 0.00 0.00 174.74 172.46 1frn s LYS 91 N -4.41 4.08 0.69 1.40 1.02 -1.26 -4.84 119.74 116.42 1frn s LYS 91 Ca 0.70 1.20 -0.14 0.00 0.02 0.00 0.00 55.97 57.75 1frn s LYS 91 Cb -0.25 -2.15 0.02 0.00 -0.52 0.00 0.00 37.83 34.92 1frn s LYS 91 CO 0.54 -0.17 1.11 -0.48 -0.92 0.00 0.00 175.35 175.43 1frn s LEU 92 N -3.29 3.29 0.01 3.17 0.05 -1.26 -4.66 118.68 115.99 1frn s LEU 92 Ca 0.64 1.96 0.07 0.00 0.05 0.00 0.00 54.13 56.86 1frn s LEU 92 Cb -0.12 -4.54 -0.03 0.00 -2.05 0.00 0.00 46.19 39.45 1frn s LEU 92 CO 0.16 -1.77 -0.22 -0.13 -0.55 0.00 0.00 176.35 173.83 1frn s ARG 93 N -4.31 2.06 -0.00 1.48 3.00 -0.47 -4.93 118.95 115.78 1frn s ARG 93 Ca 0.66 -0.97 -0.15 0.00 0.00 0.00 0.00 55.73 55.27 1frn s ARG 93 Cb -0.20 -2.12 -0.06 0.00 0.00 0.00 0.00 34.95 32.58 1frn s ARG 93 CO 0.46 0.55 0.41 -0.51 0.00 0.00 0.00 175.30 176.20 1frn s LEU 94 N -1.08 4.47 -0.06 2.53 1.43 -1.26 -0.82 118.68 123.90 1frn s LEU 94 Ca 0.12 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.19 1frn s LEU 94 Cb -0.10 -2.58 0.02 0.00 0.03 0.00 0.00 46.19 43.56 1frn s LEU 94 CO 0.02 0.32 -0.04 -0.31 0.23 0.00 0.00 176.35 176.57 1frn s TYR 95 N -1.06 0.83 0.21 0.29 1.51 -0.77 -5.01 117.35 113.35 1frn s TYR 95 Ca 0.24 -0.26 -0.30 0.00 -1.01 0.00 0.00 57.07 55.74 1frn s TYR 95 Cb -0.17 -0.77 -0.08 0.00 -0.11 0.00 0.00 41.96 40.83 1frn s TYR 95 CO 0.13 -0.26 1.14 0.08 -1.11 0.00 0.00 175.55 175.53 1frn s VAL 96 N 1.22 3.63 0.18 0.71 1.01 -1.26 -1.82 120.40 124.07 1frn s VAL 96 Ca -0.06 1.46 -0.31 0.00 0.00 0.00 0.00 61.98 63.08 1frn s VAL 96 Cb -0.14 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 1frn s VAL 96 CO -0.02 0.28 1.37 -0.63 0.00 0.00 0.00 175.10 176.10 1frn s ILE 97 N -0.46 3.12 -2.22 2.22 1.01 -0.12 -4.60 121.20 120.15 1frn s ILE 97 Ca 0.49 0.87 0.24 0.00 0.00 0.00 0.00 60.65 62.25 1frn s ILE 97 Cb -0.31 -3.56 0.10 0.00 0.01 0.00 0.00 42.46 38.70 1frn s ILE 97 CO 0.38 0.11 1.23 0.00 0.00 0.00 0.00 174.94 176.66 1frn n ALA 98 N 3.11 3.21 -2.67 9.38 0.00 -0.02 -4.03 120.51 129.49 1frn n ALA 98 Ca 0.08 -0.61 -0.27 0.00 0.00 0.00 0.00 53.44 52.65 1frn n ALA 98 Cb 0.42 -0.87 -0.08 0.00 0.00 0.00 0.00 19.45 18.93 1frn n ALA 98 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1frn s SER 99 N -2.36 4.82 0.98 0.00 1.04 -1.24 -3.67 113.70 113.27 1frn s SER 99 Ca 0.22 -0.37 -0.16 0.00 0.48 0.00 0.00 55.95 56.13 1frn s SER 99 Cb 0.19 -1.05 0.19 0.00 0.10 0.00 0.00 66.02 65.45 1frn s SER 99 CO 0.50 0.10 1.24 -0.94 0.98 0.00 0.00 173.24 175.11 1frn s SER 100 N -2.89 2.97 0.37 7.02 1.04 -1.26 -4.63 113.70 116.32 1frn s SER 100 Ca 0.27 0.50 0.10 0.00 0.48 0.00 0.00 55.95 57.30 1frn s SER 100 Cb -0.10 -0.71 0.85 0.00 0.10 0.00 0.00 66.02 66.16 1frn s SER 100 CO 0.19 -2.84 1.90 0.00 0.98 0.00 0.00 173.24 173.47 1frn h ALA 101 N -1.71 1.86 0.00 5.32 0.00 -1.87 -0.23 119.26 122.63 1frn h ALA 101 Ca -0.46 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 1frn h ALA 101 Cb 1.27 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1frn h ALA 101 CO 0.45 -0.06 -0.68 -0.07 0.00 0.00 0.00 179.25 178.88 1frn h LEU 102 N 0.65 0.00 0.00 0.00 3.38 -1.91 -3.40 115.31 114.02 1frn h LEU 102 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1frn h LEU 102 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1frn h LEU 102 CO -0.16 0.68 0.00 0.61 0.09 0.00 0.00 178.44 179.66 1frn n GLY 103 N 1.20 -0.04 0.22 0.83 0.00 -0.10 0.68 105.19 107.98 1frn n GLY 103 Ca 0.01 -1.91 0.15 0.00 0.00 0.00 0.00 46.02 44.27 1frn n GLY 103 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1frn h ASP 104 N 0.00 0.00 -0.18 1.61 3.32 -1.86 -2.13 116.42 117.18 1frn h ASP 104 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1frn h ASP 104 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1frn h ASP 104 CO 0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 1frn n PHE 105 N -2.76 0.23 -1.79 4.55 3.72 -1.26 -4.99 117.46 115.16 1frn n PHE 105 Ca 0.01 -0.18 -0.17 0.00 -0.05 0.00 0.00 57.45 57.07 1frn n PHE 105 Cb 0.29 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.78 1frn n PHE 105 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1frn n GLY 106 N 0.84 0.93 0.10 1.37 0.00 -0.80 -4.86 105.19 102.77 1frn n GLY 106 Ca 0.11 -0.22 0.01 0.00 0.00 0.00 0.00 46.02 45.92 1frn n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1frn n ASP 107 N -0.85 1.76 -1.83 1.61 5.68 -0.90 -4.90 116.55 117.11 1frn n ASP 107 Ca -0.18 -1.63 -0.18 0.00 -0.50 0.00 0.00 54.79 52.30 1frn n ASP 107 Cb 0.58 -0.02 -0.03 0.00 -1.14 0.00 0.00 41.12 40.51 1frn n ASP 107 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1frn n ALA 108 N -0.15 -0.45 -0.27 2.12 0.00 0.21 -4.86 120.51 117.12 1frn n ALA 108 Ca 0.02 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1frn n ALA 108 Cb 0.19 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1frn n ALA 108 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1frn n LYS 109 N -2.65 0.89 -4.38 0.00 5.02 -1.26 -3.83 118.16 111.96 1frn n LYS 109 Ca -0.20 -0.85 -0.19 0.00 -2.02 0.00 0.00 58.31 55.05 1frn n LYS 109 Cb 0.64 -0.87 -0.10 0.00 -0.02 0.00 0.00 35.03 34.68 1frn n LYS 109 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1frn s SER 110 N -0.41 2.42 -0.01 4.39 1.04 -1.26 -0.36 113.70 119.51 1frn s SER 110 Ca 0.00 -1.16 0.01 0.00 0.48 0.00 0.00 55.95 55.27 1frn s SER 110 Cb 0.00 -0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.03 1frn s SER 110 CO 0.00 -0.36 -0.01 0.54 0.98 0.00 0.00 173.24 174.39 1frn s VAL 111 N -3.14 0.15 0.05 5.02 0.11 0.82 -4.61 120.40 118.80 1frn s VAL 111 Ca 0.27 -0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.40 1frn s VAL 111 Cb 0.04 -0.18 -0.03 0.00 -1.53 0.00 0.00 36.38 34.67 1frn s VAL 111 CO 0.10 0.08 -0.20 -0.44 -3.33 0.00 0.00 175.10 171.30 1frn s SER 112 N 0.41 3.63 0.09 3.54 0.01 -1.26 0.14 113.70 120.25 1frn s SER 112 Ca -0.04 -0.48 0.09 0.00 1.31 0.00 0.00 55.95 56.83 1frn s SER 112 Cb -0.06 -0.51 -0.03 0.00 0.21 0.00 0.00 66.02 65.62 1frn s SER 112 CO -0.01 0.25 -0.23 -0.76 0.41 0.00 0.00 173.24 172.90 1frn s LEU 113 N -1.43 2.25 -0.29 2.44 1.43 0.08 -0.84 118.68 122.33 1frn s LEU 113 Ca 0.14 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1frn s LEU 113 Cb -0.10 -1.06 0.06 0.00 0.03 0.00 0.00 46.19 45.12 1frn s LEU 113 CO 0.05 0.15 -0.04 0.00 0.23 0.00 0.00 176.35 176.73 1frn s VAL 115 N 1.15 1.72 -0.08 0.00 1.01 0.43 -4.93 120.40 119.70 1frn s VAL 115 Ca -0.06 -0.80 -0.16 0.00 0.00 0.00 0.00 61.98 60.96 1frn s VAL 115 Cb -0.20 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 1frn s VAL 115 CO -0.04 0.48 0.43 -0.75 0.00 0.00 0.00 175.10 175.23 1frn s LYS 116 N 0.64 4.18 -0.13 2.72 2.20 -1.26 -0.06 119.74 128.02 1frn s LYS 116 Ca -0.13 0.40 -0.29 0.00 -0.36 0.00 0.00 55.97 55.58 1frn s LYS 116 Cb -0.16 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 1frn s LYS 116 CO 0.04 0.37 1.36 0.50 -0.36 0.00 0.00 175.35 177.25 1frn s ARG 117 N -0.04 4.22 -0.28 4.03 3.52 0.13 -4.80 118.95 125.73 1frn s ARG 117 Ca 0.24 1.79 -0.16 0.00 -0.13 0.00 0.00 55.73 57.47 1frn s ARG 117 Cb -0.15 -3.81 -0.03 0.00 -1.56 0.00 0.00 34.95 29.40 1frn s ARG 117 CO 0.11 -0.73 0.42 -1.17 -0.81 0.00 0.00 175.30 173.12 1frn s LEU 118 N 3.56 4.11 -0.06 -0.88 2.96 -1.26 -4.58 118.68 122.53 1frn s LEU 118 Ca 0.59 0.25 0.00 0.00 -0.22 0.00 0.00 54.13 54.75 1frn s LEU 118 Cb -0.25 -2.48 0.02 0.00 0.50 0.00 0.00 46.19 43.98 1frn s LEU 118 CO 0.19 -0.26 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.28 1frn s ILE 119 N 2.15 0.66 0.25 6.68 -1.09 -1.26 0.26 121.20 128.86 1frn s ILE 119 Ca 0.16 -0.14 0.04 0.00 -2.23 0.00 0.00 60.65 58.49 1frn s ILE 119 Cb -0.16 -0.70 -0.02 0.00 -1.58 0.00 0.00 42.46 40.01 1frn s ILE 119 CO 0.10 0.27 0.24 0.00 -1.23 0.00 0.00 174.94 174.33 1frn n TYR 120 N 4.41 -0.72 -4.71 3.97 4.11 0.24 -4.96 117.16 119.50 1frn n TYR 120 Ca -0.18 -2.06 -0.27 0.00 -0.00 0.00 0.00 57.90 55.39 1frn n TYR 120 Cb 0.51 0.26 -0.17 0.00 -0.00 0.00 0.00 39.34 39.94 1frn n TYR 120 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1frn s THR 121 N -2.97 1.41 0.00 -3.48 -4.23 -1.26 0.37 115.64 105.49 1frn s THR 121 Ca 0.29 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 1frn s THR 121 Cb 0.01 -1.27 0.00 0.00 1.34 0.00 0.00 72.50 72.59 1frn s THR 121 CO 0.20 0.42 0.00 -0.46 -0.54 0.00 0.00 174.62 174.24 1frn n ASN 122 N 3.82 -0.05 -0.22 3.99 6.94 0.82 -4.84 115.26 125.72 1frn n ASN 122 Ca -0.21 -0.76 0.05 0.00 -0.02 0.00 0.00 54.58 53.64 1frn n ASN 122 Cb 0.52 0.00 0.31 0.00 -2.36 0.00 0.00 39.78 38.25 1frn n ASN 122 CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 1frn h ASP 123 N -0.05 0.75 -0.24 0.53 2.03 -2.01 -1.77 116.42 115.66 1frn h ASP 123 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1frn h ASP 123 Cb 0.00 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.34 1frn h ASP 123 CO 0.00 0.49 0.00 0.00 -1.03 0.00 0.00 179.24 178.70 1frn n ALA 124 N -2.43 2.49 -0.99 4.15 0.00 -1.26 -4.86 120.51 117.61 1frn n ALA 124 Ca 0.12 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1frn n ALA 124 Cb 0.21 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1frn n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1frn n GLY 125 N 0.85 0.75 3.75 0.00 0.00 -0.66 -5.01 105.19 104.88 1frn n GLY 125 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1frn n GLY 125 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1frn s GLU 126 N -0.05 4.73 0.08 1.61 2.02 -1.26 -4.79 118.70 121.04 1frn s GLU 126 Ca 0.00 1.37 -0.30 0.00 0.02 0.00 0.00 54.97 56.06 1frn s GLU 126 Cb 0.00 -3.30 -0.05 0.00 0.10 0.00 0.00 34.13 30.88 1frn s GLU 126 CO 0.00 0.47 1.06 0.99 0.02 0.00 0.00 175.26 177.79 1frn s THR 127 N -0.91 4.36 -0.07 3.63 2.01 -1.26 -0.12 115.64 123.28 1frn s THR 127 Ca 0.40 1.82 0.04 0.00 0.31 0.00 0.00 61.69 64.26 1frn s THR 127 Cb -0.24 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.10 1frn s THR 127 CO 0.30 0.21 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.61 1frn s ILE 128 N 0.52 1.67 -0.02 1.82 -1.09 1.17 -4.92 121.20 120.35 1frn s ILE 128 Ca 0.52 -0.82 -0.10 0.00 -2.23 0.00 0.00 60.65 58.02 1frn s ILE 128 Cb -0.25 -1.45 -0.05 0.00 -1.58 0.00 0.00 42.46 39.13 1frn s ILE 128 CO 0.30 0.47 0.30 -0.54 -1.23 0.00 0.00 174.94 174.24 1frn s LYS 129 N 0.24 3.68 0.30 2.79 1.02 -1.26 0.79 119.74 127.29 1frn s LYS 129 Ca -0.11 0.10 -0.29 0.00 0.02 0.00 0.00 55.97 55.70 1frn s LYS 129 Cb -0.15 -3.15 -0.10 0.00 -0.52 0.00 0.00 37.83 33.92 1frn s LYS 129 CO 0.05 0.69 1.13 0.20 -0.92 0.00 0.00 175.35 176.50 1frn s GLY 130 N -1.32 3.04 0.05 -3.33 0.00 0.74 -4.94 107.32 101.56 1frn s GLY 130 Ca 0.24 0.95 -0.28 0.00 0.00 0.00 0.00 44.72 45.63 1frn s GLY 130 CO 0.12 1.56 1.42 -2.08 0.00 0.00 0.00 173.10 174.12 1frn h VAL 131 N 3.03 0.00 -0.17 1.40 2.07 -1.97 -2.32 116.25 118.29 1frn h VAL 131 Ca -0.47 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 66.95 1frn h VAL 131 Cb 1.21 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1frn h VAL 131 CO 0.66 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.98 1frn h SER 133 N 0.13 1.01 -0.29 0.00 4.64 -1.87 -1.28 113.55 115.88 1frn h SER 133 Ca 0.01 -0.06 -0.16 0.00 -0.47 0.00 0.00 61.79 61.12 1frn h SER 133 Cb 0.86 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1frn h SER 133 CO 0.06 0.77 -0.42 0.78 -0.87 0.00 0.00 176.83 177.15 1frn h ASN 134 N 1.16 0.88 -0.14 4.97 2.35 -1.44 0.50 115.58 123.87 1frn h ASN 134 Ca 0.30 -0.51 0.03 0.00 -0.55 0.00 0.00 56.30 55.58 1frn h ASN 134 Cb -0.05 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.03 1frn h ASN 134 CO -0.06 1.22 -0.08 0.15 -1.65 0.00 0.00 177.43 177.01 1frn h PHE 135 N 0.57 -0.18 0.03 1.19 3.57 -1.32 -0.66 116.94 120.14 1frn h PHE 135 Ca 0.03 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1frn h PHE 135 Cb 1.02 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1frn h PHE 135 CO 0.07 -0.12 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.95 1frn h LEU 136 N -0.07 -0.03 -1.92 0.59 3.38 -1.15 -2.47 115.31 113.64 1frn h LEU 136 Ca 0.08 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1frn h LEU 136 Cb 0.19 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1frn h LEU 136 CO -0.18 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.46 1frn n ASP 138 N -2.72 0.70 -4.60 0.00 8.00 -0.27 -4.98 116.55 112.68 1frn n ASP 138 Ca -0.01 0.08 -0.43 0.00 0.71 0.00 0.00 54.79 55.14 1frn n ASP 138 Cb 0.13 0.39 -0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1frn n ASP 138 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1frn n LEU 139 N -2.18 2.22 -4.69 0.64 4.77 -0.55 -5.00 117.00 112.19 1frn n LEU 139 Ca 0.02 1.11 -0.33 0.00 -0.03 0.00 0.00 56.01 56.79 1frn n LEU 139 Cb 0.46 -1.33 -0.09 0.00 -2.33 0.00 0.00 43.42 40.14 1frn n LEU 139 CO 0.38 -1.42 -0.31 -0.54 -1.33 0.00 0.00 177.39 174.17 1frn s LYS 140 N -1.78 2.81 0.08 3.23 -0.14 -1.26 -4.84 119.74 117.84 1frn s LYS 140 Ca 0.60 -0.60 -0.36 0.00 -1.36 0.00 0.00 55.97 54.26 1frn s LYS 140 Cb -0.62 -2.69 -0.15 0.00 -1.68 0.00 0.00 37.83 32.69 1frn s LYS 140 CO 0.59 0.62 1.51 -2.30 -0.76 0.00 0.00 175.35 175.02 1frn n PRO 141 N 1.35 1.66 0.00 -1.68 -0.02 -1.26 -0.38 135.00 134.66 1frn n PRO 141 Ca -0.14 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1frn n PRO 141 Cb 0.53 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1frn n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1frn n GLY 142 N 3.16 2.75 3.77 -1.23 0.00 0.33 -4.94 105.19 109.03 1frn n GLY 142 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1frn n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1frn s ALA 143 N -2.59 2.53 0.33 4.61 0.00 0.49 -4.62 121.76 122.51 1frn s ALA 143 Ca 0.00 0.68 -0.06 0.00 0.00 0.00 0.00 51.96 52.59 1frn s ALA 143 Cb 0.00 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 1frn s ALA 143 CO 0.00 -1.13 0.61 -1.21 0.00 0.00 0.00 175.76 174.03 1frn s GLU 144 N -3.77 3.65 -0.09 0.00 2.02 -1.26 -0.23 118.70 119.02 1frn s GLU 144 Ca 0.70 0.09 -0.09 0.00 0.02 0.00 0.00 54.97 55.69 1frn s GLU 144 Cb -0.23 -2.58 0.02 0.00 0.10 0.00 0.00 34.13 31.45 1frn s GLU 144 CO 0.36 0.13 0.26 0.54 0.02 0.00 0.00 175.26 176.57 1frn s VAL 145 N -2.20 0.01 -0.26 2.63 0.11 0.10 -4.91 120.40 115.88 1frn s VAL 145 Ca 0.45 -0.08 -0.16 0.00 -2.93 0.00 0.00 61.98 59.27 1frn s VAL 145 Cb -0.10 -0.39 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 1frn s VAL 145 CO 0.32 -0.04 0.41 -0.54 -3.33 0.00 0.00 175.10 171.92 1frn s LYS 146 N -0.06 4.05 0.14 1.54 1.02 -1.26 -0.61 119.74 124.56 1frn s LYS 146 Ca -0.02 0.13 0.10 0.00 0.02 0.00 0.00 55.97 56.21 1frn s LYS 146 Cb -0.02 -3.64 -0.04 0.00 -0.52 0.00 0.00 37.83 33.60 1frn s LYS 146 CO 0.01 -0.27 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.43 1frn s LEU 147 N 2.05 2.50 0.28 3.17 1.43 0.87 -2.36 118.68 126.62 1frn s LEU 147 Ca 0.17 -0.71 0.05 0.00 -1.03 0.00 0.00 54.13 52.61 1frn s LEU 147 Cb -0.16 -1.33 -0.06 0.00 0.03 0.00 0.00 46.19 44.67 1frn s LEU 147 CO 0.09 0.16 -0.02 0.42 0.23 0.00 0.00 176.35 177.24 1frn s THR 148 N -1.25 1.37 0.00 5.49 -4.23 0.96 -0.71 115.64 117.28 1frn s THR 148 Ca 0.17 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1frn s THR 148 Cb -0.10 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.24 1frn s THR 148 CO 0.09 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 1frn n GLY 149 N -0.56 0.19 3.72 3.99 0.00 0.00 -0.42 105.19 112.10 1frn n GLY 149 Ca -0.05 -2.01 -0.31 0.00 0.00 0.00 0.00 46.02 43.66 1frn n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1frn s PRO 150 N 0.00 1.57 0.03 1.61 0.04 -1.26 -1.42 135.00 135.58 1frn s PRO 150 Ca 0.00 1.30 0.07 0.00 0.04 0.00 0.00 61.00 62.42 1frn s PRO 150 Cb 0.00 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 1frn s PRO 150 CO 0.00 -2.17 -0.21 0.08 0.04 0.00 0.00 177.00 174.74 1frn s VAL 151 N -2.78 1.72 0.00 -0.36 1.01 0.13 -1.07 120.40 119.05 1frn s VAL 151 Ca 0.64 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1frn s VAL 151 Cb -0.20 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1frn s VAL 151 CO 0.57 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.55 1frn n GLY 152 N 1.96 3.00 0.00 4.51 0.00 -1.26 -1.03 105.19 112.37 1frn n GLY 152 Ca -0.17 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1frn n GLY 152 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1frn n LYS 153 N 0.12 4.89 -0.35 1.61 5.02 -1.26 -4.86 118.16 123.34 1frn n LYS 153 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 1frn n LYS 153 Cb 0.00 -0.49 0.23 0.00 -0.02 0.00 0.00 35.03 34.75 1frn n LYS 153 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1frn h GLU 154 N 0.00 0.91 -0.56 1.97 4.57 -1.94 -2.63 114.58 116.90 1frn h GLU 154 Ca 0.00 -0.05 -0.15 0.00 -1.18 0.00 0.00 59.36 57.97 1frn h GLU 154 Cb 0.00 -0.21 -0.09 0.00 -0.16 0.00 0.00 28.75 28.29 1frn h GLU 154 CO 0.00 0.60 0.14 -1.33 -1.18 0.00 0.00 179.01 177.25 1frn n MET 155 N -4.66 3.27 -1.64 1.92 2.81 -1.26 -4.82 117.12 112.75 1frn n MET 155 Ca 0.18 -3.05 -0.33 0.00 -1.81 0.00 0.00 57.70 52.68 1frn n MET 155 Cb 0.35 -2.07 0.06 0.00 -0.71 0.00 0.00 33.22 30.85 1frn n MET 155 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1frn s LEU 156 N -2.99 3.35 0.55 4.03 1.43 -0.99 -4.31 118.68 119.74 1frn s LEU 156 Ca 0.50 2.11 -0.16 0.00 -1.03 0.00 0.00 54.13 55.55 1frn s LEU 156 Cb 0.41 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 42.01 1frn s LEU 156 CO 0.10 -1.85 1.02 -0.04 0.23 0.00 0.00 176.35 175.81 1frn s MET 157 N -4.06 3.65 0.50 1.70 -1.94 -1.26 -4.78 119.30 113.11 1frn s MET 157 Ca 0.69 1.10 -0.21 0.00 -1.71 0.00 0.00 55.69 55.56 1frn s MET 157 Cb -0.23 -2.09 -0.07 0.00 2.01 0.00 0.00 34.83 34.45 1frn s MET 157 CO 0.43 -0.53 1.11 -1.25 -0.01 0.00 0.00 175.02 174.77 1frn s PRO 158 N -4.00 3.63 0.22 2.03 0.05 -1.26 -0.53 135.00 135.14 1frn s PRO 158 Ca 0.62 1.58 -0.06 0.00 0.05 0.00 0.00 61.00 63.18 1frn s PRO 158 Cb -0.13 -2.17 0.19 0.00 0.05 0.00 0.00 34.50 32.44 1frn s PRO 158 CO 0.33 -0.61 1.71 0.87 0.05 0.00 0.00 177.00 179.35 1frn h LYS 159 N 1.60 1.00 -6.05 4.56 1.57 -0.98 -3.44 116.57 114.84 1frn h LYS 159 Ca -0.50 -0.27 -0.58 0.00 -1.87 0.00 0.00 60.65 57.43 1frn h LYS 159 Cb 1.24 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1frn h LYS 159 CO 0.59 0.94 1.45 0.34 -0.57 0.00 0.00 179.45 182.20 1frn s ASP 160 N -6.56 5.60 0.00 0.86 -1.08 -1.26 -4.88 116.67 109.35 1frn s ASP 160 Ca -0.11 1.94 0.20 0.00 -0.52 0.00 0.00 52.55 54.07 1frn s ASP 160 Cb 0.14 -2.51 1.02 0.00 -1.46 0.00 0.00 42.92 40.11 1frn s ASP 160 CO 0.84 -1.84 1.64 -0.81 0.52 0.00 0.00 175.17 175.52 1frn n PRO 161 N 8.59 0.27 -0.23 4.34 -0.04 -1.26 -2.13 135.00 144.54 1frn n PRO 161 Ca 0.28 0.10 0.06 0.00 -0.04 0.00 0.00 63.50 63.90 1frn n PRO 161 Cb 0.45 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.57 1frn n PRO 161 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1frn n ASN 162 N -1.30 3.07 -4.71 3.54 4.13 -1.26 -0.03 115.26 118.70 1frn n ASN 162 Ca 0.09 -2.47 -0.34 0.00 1.68 0.00 0.00 54.58 53.55 1frn n ASN 162 Cb 0.17 -0.33 0.11 0.00 -1.54 0.00 0.00 39.78 38.18 1frn n ASN 162 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1frn s ALA 163 N -1.83 2.01 -0.23 5.41 0.00 -0.91 -4.23 121.76 121.98 1frn s ALA 163 Ca 0.28 0.83 -0.16 0.00 0.00 0.00 0.00 51.96 52.91 1frn s ALA 163 Cb 0.20 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 1frn s ALA 163 CO 0.10 -2.04 0.41 0.99 0.00 0.00 0.00 175.76 175.22 1frn s THR 164 N -2.10 5.17 -0.23 0.00 2.01 0.22 -2.67 115.64 118.05 1frn s THR 164 Ca 0.73 0.70 0.02 0.00 0.31 0.00 0.00 61.69 63.45 1frn s THR 164 Cb -0.28 -3.74 0.04 0.00 0.01 0.00 0.00 72.50 68.53 1frn s THR 164 CO 0.48 0.19 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.84 1frn s ILE 165 N 1.72 2.20 -0.21 1.82 1.01 0.31 0.05 121.20 128.10 1frn s ILE 165 Ca 0.18 -1.35 -0.06 0.00 0.00 0.00 0.00 60.65 59.42 1frn s ILE 165 Cb -0.15 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 1frn s ILE 165 CO 0.09 0.18 0.03 -0.63 0.00 0.00 0.00 174.94 174.61 1frn s ILE 166 N 1.19 4.16 -0.13 2.92 1.01 -0.59 0.22 121.20 129.98 1frn s ILE 166 Ca -0.03 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.39 1frn s ILE 166 Cb -0.17 -2.90 0.02 0.00 0.01 0.00 0.00 42.46 39.42 1frn s ILE 166 CO -0.08 0.41 -0.16 -0.04 0.00 0.00 0.00 174.94 175.07 1frn s MET 167 N 1.09 2.38 -0.27 2.79 -1.94 0.10 -0.41 119.30 123.03 1frn s MET 167 Ca 0.03 -0.61 0.02 0.00 -1.71 0.00 0.00 55.69 53.42 1frn s MET 167 Cb -0.14 -2.05 0.07 0.00 2.01 0.00 0.00 34.83 34.72 1frn s MET 167 CO 0.02 -0.11 -0.05 -0.51 -0.01 0.00 0.00 175.02 174.36 1frn s LEU 168 N 1.11 3.36 0.09 -0.03 1.43 -0.47 0.26 118.68 124.43 1frn s LEU 168 Ca -0.03 -1.48 0.06 0.00 -1.03 0.00 0.00 54.13 51.65 1frn s LEU 168 Cb -0.14 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 1frn s LEU 168 CO -0.05 -0.25 -0.16 -0.83 0.23 0.00 0.00 176.35 175.30 1frn s GLY 169 N 1.18 1.01 -0.06 -3.19 0.00 -0.61 -0.77 107.32 104.87 1frn s GLY 169 Ca -0.04 -1.12 0.04 0.00 0.00 0.00 0.00 44.72 43.60 1frn s GLY 169 CO -0.07 -1.15 -0.19 -0.51 0.00 0.00 0.00 173.10 171.18 1frn s THR 170 N -1.39 1.63 0.00 0.90 -4.23 -0.79 -1.73 115.64 110.04 1frn s THR 170 Ca 0.02 -0.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 1frn s THR 170 Cb -0.09 -1.40 0.00 0.00 1.34 0.00 0.00 72.50 72.35 1frn s THR 170 CO 0.03 0.46 0.00 0.61 -0.54 0.00 0.00 174.62 175.18 1frn n GLY 171 N 3.24 3.44 0.17 3.99 0.00 -1.01 -0.40 105.19 114.62 1frn n GLY 171 Ca -0.19 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 45.94 1frn n GLY 171 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1frn h THR 172 N 0.00 0.00 0.00 2.61 1.35 -1.93 -1.90 112.91 113.04 1frn h THR 172 Ca 0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1frn h THR 172 Cb 0.00 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.16 1frn h THR 172 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1frn n GLY 173 N -0.75 -0.63 0.27 5.82 0.00 0.46 -1.19 105.19 109.17 1frn n GLY 173 Ca -0.00 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1frn n GLY 173 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1frn h ILE 174 N 0.00 0.68 -0.58 -0.61 6.09 -1.52 -3.37 117.51 118.20 1frn h ILE 174 Ca 0.00 -0.31 0.05 0.00 -1.37 0.00 0.00 64.86 63.23 1frn h ILE 174 Cb 0.09 1.19 -0.08 0.00 0.47 0.00 0.00 36.82 38.49 1frn h ILE 174 CO 0.00 0.08 -0.40 0.00 -3.07 0.00 0.00 178.15 174.75 1frn h ALA 175 N 1.92 -0.45 0.00 0.18 0.00 -1.42 -0.13 119.26 119.36 1frn h ALA 175 Ca -0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1frn h ALA 175 Cb 0.18 1.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1frn h ALA 175 CO 0.01 -0.71 -0.05 -1.00 0.00 0.00 0.00 179.25 177.49 1frn h PRO 176 N -0.08 0.00 0.03 0.00 0.13 -1.73 -2.48 132.00 127.88 1frn h PRO 176 Ca 0.09 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.01 1frn h PRO 176 Cb 0.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 1frn h PRO 176 CO -0.59 0.05 -0.97 0.74 -0.23 0.00 0.00 178.00 177.01 1frn h PHE 177 N 0.00 0.32 -0.82 1.56 0.04 -1.32 -1.60 116.94 115.12 1frn h PHE 177 Ca -0.00 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 60.57 1frn h PHE 177 Cb 0.13 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.21 1frn h PHE 177 CO 0.00 1.05 0.48 -0.09 -0.60 0.00 0.00 178.31 179.16 1frn h ARG 178 N 0.10 1.12 0.30 1.51 2.43 -0.77 -0.54 114.38 118.53 1frn h ARG 178 Ca -0.06 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 1frn h ARG 178 Cb 1.64 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.95 1frn h ARG 178 CO 0.15 0.80 -0.18 1.03 -1.51 0.00 0.00 179.97 180.25 1frn h SER 179 N 1.13 -0.45 -0.16 -3.80 0.87 -1.18 -1.66 113.55 108.30 1frn h SER 179 Ca 0.29 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.91 1frn h SER 179 Cb -0.03 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 1frn h SER 179 CO -0.05 -0.30 -0.03 -0.26 -0.53 0.00 0.00 176.83 175.66 1frn h PHE 180 N -0.47 -0.07 -0.60 2.24 -1.00 -1.14 -2.96 116.94 112.95 1frn h PHE 180 Ca -0.03 0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.72 1frn h PHE 180 Cb 0.38 0.05 -0.03 0.00 3.61 0.00 0.00 35.95 39.97 1frn h PHE 180 CO -0.09 -0.06 0.22 -0.07 -1.61 0.00 0.00 178.31 176.71 1frn h LEU 181 N 0.01 0.81 -0.41 1.54 3.38 -0.86 -0.50 115.31 119.29 1frn h LEU 181 Ca 0.08 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1frn h LEU 181 Cb 0.11 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1frn h LEU 181 CO -0.15 0.74 0.23 -0.50 0.09 0.00 0.00 178.44 178.84 1frn h TRP 182 N 0.87 0.55 -0.37 1.13 4.06 -1.31 0.66 115.95 121.53 1frn h TRP 182 Ca 0.20 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.12 1frn h TRP 182 Cb 0.20 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 28.16 1frn h TRP 182 CO 0.01 0.41 0.16 -0.22 -3.56 0.00 0.00 178.44 175.25 1frn h LYS 183 N 0.53 0.55 -0.23 0.49 3.64 -1.26 0.84 116.57 121.14 1frn h LYS 183 Ca 0.14 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1frn h LYS 183 Cb 0.04 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1frn h LYS 183 CO -0.02 0.51 -0.02 0.52 -2.27 0.00 0.00 179.45 178.17 1frn h MET 184 N 0.46 0.41 0.00 1.90 2.86 -0.74 -3.36 114.93 116.46 1frn h MET 184 Ca 0.13 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1frn h MET 184 Cb 0.16 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1frn h MET 184 CO -0.01 0.61 -0.27 1.19 1.06 0.00 0.00 176.91 179.49 1frn n PHE 185 N -4.64 0.00 0.30 -0.22 3.72 0.23 -4.61 117.46 112.24 1frn n PHE 185 Ca -0.04 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.40 1frn n PHE 185 Cb 0.25 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.81 1frn n PHE 185 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1frn n PHE 186 N -1.14 0.00 -4.32 1.38 3.72 0.26 -5.01 117.46 112.35 1frn n PHE 186 Ca 0.01 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.20 1frn n PHE 186 Cb 0.07 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.49 1frn n PHE 186 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1frn s GLU 187 N -0.69 1.24 -0.21 -1.08 2.02 -1.05 -5.01 118.70 113.93 1frn s GLU 187 Ca 0.08 -1.40 -0.05 0.00 0.02 0.00 0.00 54.97 53.62 1frn s GLU 187 Cb 0.06 -1.24 -0.02 0.00 0.10 0.00 0.00 34.13 33.03 1frn s GLU 187 CO 0.10 0.24 0.00 0.15 0.02 0.00 0.00 175.26 175.78 1frn s LYS 188 N -2.86 3.58 0.04 1.61 -0.14 -1.26 -4.83 119.74 115.87 1frn s LYS 188 Ca 0.15 -0.53 0.08 0.00 -1.36 0.00 0.00 55.97 54.31 1frn s LYS 188 Cb -0.05 -3.10 -0.03 0.00 -1.68 0.00 0.00 37.83 32.97 1frn s LYS 188 CO 0.06 -0.06 -0.24 -1.01 -0.76 0.00 0.00 175.35 173.34 1frn s HIS 189 N 1.18 2.11 0.37 3.18 3.76 -1.25 -5.04 115.29 119.60 1frn s HIS 189 Ca 0.03 -0.40 0.08 0.00 -0.15 0.00 0.00 55.06 54.62 1frn s HIS 189 Cb -0.14 -1.27 0.73 0.00 1.11 0.00 0.00 32.58 33.01 1frn s HIS 189 CO 0.01 0.11 1.91 -0.44 -0.85 0.00 0.00 174.74 175.48 1frn h ASP 190 N 4.86 0.32 -0.06 1.40 3.32 -2.04 -3.23 116.42 120.98 1frn h ASP 190 Ca -0.45 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1frn h ASP 190 Cb 1.15 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1frn h ASP 190 CO 0.44 0.43 0.00 0.47 -1.72 0.00 0.00 179.24 178.86 1frn n ASP 191 N -4.29 1.93 -3.70 6.45 8.00 -1.26 -4.99 116.55 118.69 1frn n ASP 191 Ca 0.00 -1.73 -0.16 0.00 0.71 0.00 0.00 54.79 53.61 1frn n ASP 191 Cb 0.25 -0.04 -0.16 0.00 -0.02 0.00 0.00 41.12 41.15 1frn n ASP 191 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1frn s TYR 192 N -0.77 -0.11 -0.21 1.24 5.04 -1.22 -5.09 117.35 116.23 1frn s TYR 192 Ca 0.05 0.47 -0.03 0.00 -2.44 0.00 0.00 57.07 55.12 1frn s TYR 192 Cb 0.03 -0.25 0.07 0.00 0.35 0.00 0.00 41.96 42.16 1frn s TYR 192 CO 0.04 -0.21 0.06 0.21 -1.34 0.00 0.00 175.55 174.30 1frn s LYS 193 N 1.85 0.53 0.11 4.97 2.47 -1.26 -3.97 119.74 124.44 1frn s LYS 193 Ca -0.01 -0.44 -0.31 0.00 -1.56 0.00 0.00 55.97 53.65 1frn s LYS 193 Cb -0.12 -1.99 -0.07 0.00 -1.46 0.00 0.00 37.83 34.19 1frn s LYS 193 CO -0.05 -0.71 1.33 0.12 0.16 0.00 0.00 175.35 176.20 1frn s PHE 194 N 1.90 3.30 -0.01 4.03 5.36 -1.26 -4.79 117.98 126.51 1frn s PHE 194 Ca 0.01 1.08 0.02 0.00 -0.96 0.00 0.00 56.93 57.08 1frn s PHE 194 Cb -0.17 -3.60 0.02 0.00 -0.34 0.00 0.00 43.02 38.94 1frn s PHE 194 CO -0.12 -2.02 0.76 -1.71 -1.46 0.00 0.00 175.22 170.68 1frn n ASN 195 N 3.79 0.69 -0.43 6.13 4.05 0.95 -5.03 115.26 125.41 1frn n ASN 195 Ca 0.10 -1.58 0.00 0.00 0.45 0.00 0.00 54.58 53.55 1frn n ASN 195 Cb 0.43 -0.07 0.00 0.00 1.23 0.00 0.00 39.78 41.38 1frn n ASN 195 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1frn n GLY 196 N -0.24 1.61 3.12 8.20 0.00 -1.13 -4.81 105.19 111.93 1frn n GLY 196 Ca 0.01 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 1frn n GLY 196 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1frn s LEU 197 N 0.00 1.88 -0.07 0.99 2.96 -1.09 -4.57 118.68 118.78 1frn s LEU 197 Ca 0.00 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.46 1frn s LEU 197 Cb 0.00 -1.20 -0.02 0.00 0.50 0.00 0.00 46.19 45.47 1frn s LEU 197 CO 0.00 0.07 -0.13 0.00 -1.32 0.00 0.00 176.35 174.98 1frn s ALA 198 N 0.72 2.72 -0.16 5.97 0.00 0.77 -0.53 121.76 131.25 1frn s ALA 198 Ca -0.12 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 50.88 1frn s ALA 198 Cb -0.16 -1.07 0.05 0.00 0.00 0.00 0.00 23.12 21.94 1frn s ALA 198 CO 0.02 0.49 0.01 -0.46 0.00 0.00 0.00 175.76 175.83 1frn s TRP 199 N -0.51 1.05 -0.16 0.00 -0.11 0.13 0.01 118.94 119.35 1frn s TRP 199 Ca 0.07 -0.74 -0.05 0.00 1.22 0.00 0.00 56.10 56.60 1frn s TRP 199 Cb -0.12 -1.02 -0.03 0.00 -1.50 0.00 0.00 33.47 30.80 1frn s TRP 199 CO 0.02 -0.55 0.02 -1.17 -4.62 0.00 0.00 176.95 170.65 1frn s LEU 200 N 1.85 3.59 -0.17 5.86 2.96 -0.01 -0.73 118.68 132.03 1frn s LEU 200 Ca 0.01 0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 53.93 1frn s LEU 200 Cb -0.16 -1.88 0.00 0.00 0.50 0.00 0.00 46.19 44.65 1frn s LEU 200 CO -0.07 0.20 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.66 1frn s PHE 201 N 0.22 2.82 -0.18 5.38 0.40 0.14 -0.83 117.98 125.93 1frn s PHE 201 Ca 0.01 -1.11 0.01 0.00 -0.60 0.00 0.00 56.93 55.24 1frn s PHE 201 Cb -0.13 -1.94 0.03 0.00 0.51 0.00 0.00 43.02 41.49 1frn s PHE 201 CO 0.01 -0.54 -0.17 -1.17 0.70 0.00 0.00 175.22 174.05 1frn s LEU 202 N 1.02 2.20 -0.35 -0.37 2.96 0.48 -1.58 118.68 123.04 1frn s LEU 202 Ca -0.01 -0.72 -0.11 0.00 -0.22 0.00 0.00 54.13 53.07 1frn s LEU 202 Cb -0.15 -1.41 0.01 0.00 0.50 0.00 0.00 46.19 45.14 1frn s LEU 202 CO -0.03 -0.04 0.19 -0.83 -1.32 0.00 0.00 176.35 174.32 1frn s GLY 203 N 1.31 1.91 0.14 7.98 0.00 -0.70 -0.24 107.32 117.72 1frn s GLY 203 Ca 0.03 -1.58 0.05 0.00 0.00 0.00 0.00 44.72 43.23 1frn s GLY 203 CO -0.11 0.79 -0.12 -1.34 0.00 0.00 0.00 173.10 172.31 1frn s VAL 204 N 1.59 1.26 0.03 1.40 -7.23 0.06 -2.39 120.40 115.11 1frn s VAL 204 Ca 0.03 -1.88 -0.21 0.00 -1.81 0.00 0.00 61.98 58.12 1frn s VAL 204 Cb -0.18 -1.67 -0.16 0.00 0.56 0.00 0.00 36.38 34.93 1frn s VAL 204 CO 0.07 -0.57 1.30 1.55 -0.31 0.00 0.00 175.10 177.13 1frn h PRO 205 N 3.17 0.33 -5.51 4.82 0.13 -1.90 -1.39 132.00 131.66 1frn h PRO 205 Ca -0.38 -0.20 -0.46 0.00 -0.87 0.00 0.00 66.00 64.09 1frn h PRO 205 Cb 1.20 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 1frn h PRO 205 CO 0.57 0.77 -0.71 0.95 -0.23 0.00 0.00 178.00 179.35 1frn s THR 206 N -4.13 1.65 0.41 1.56 -4.23 -1.26 -1.56 115.64 108.08 1frn s THR 206 Ca -0.14 -2.17 0.37 0.00 -1.18 0.00 0.00 61.69 58.57 1frn s THR 206 Cb 0.05 -2.20 0.39 0.00 1.34 0.00 0.00 72.50 72.08 1frn s THR 206 CO 0.75 -0.48 2.17 0.28 -0.54 0.00 0.00 174.62 176.80 1frn h SER 207 N 2.46 0.00 0.84 3.99 0.02 -1.93 0.25 113.55 119.18 1frn h SER 207 Ca -0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1frn h SER 207 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1frn h SER 207 CO 0.64 0.03 -0.28 -1.54 -1.14 0.00 0.00 176.83 174.53 1frn n SER 208 N -3.21 0.38 -1.55 3.07 3.41 -1.26 -3.17 113.62 111.29 1frn n SER 208 Ca -0.01 0.17 0.09 0.00 -0.26 0.00 0.00 58.87 58.85 1frn n SER 208 Cb 0.19 -0.15 0.35 0.00 -0.26 0.00 0.00 64.21 64.34 1frn n SER 208 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1frn n SER 209 N -1.67 4.59 -4.58 4.04 7.64 0.89 -1.63 113.62 122.89 1frn n SER 209 Ca 0.06 -2.40 -0.42 0.00 1.01 0.00 0.00 58.87 57.12 1frn n SER 209 Cb 0.36 -0.57 -0.03 0.00 -1.01 0.00 0.00 64.21 62.97 1frn n SER 209 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1frn s LEU 210 N -1.74 3.40 0.00 -3.43 1.43 -1.19 -4.85 118.68 112.30 1frn s LEU 210 Ca 0.50 0.08 -0.28 0.00 -1.03 0.00 0.00 54.13 53.40 1frn s LEU 210 Cb 0.32 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 1frn s LEU 210 CO 0.25 -1.58 0.88 -0.76 0.23 0.00 0.00 176.35 175.37 1frn s LEU 211 N 5.32 4.38 -1.83 1.79 1.43 -1.26 -4.03 118.68 124.49 1frn s LEU 211 Ca 0.44 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 1frn s LEU 211 Cb -0.08 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 42.73 1frn s LEU 211 CO 0.24 -0.17 0.00 -1.22 0.23 0.00 0.00 176.35 175.43 1frn n TYR 212 N 3.62 -0.45 -0.35 0.29 4.01 -1.26 -4.88 117.16 118.14 1frn n TYR 212 Ca 0.03 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.83 1frn n TYR 212 Cb 0.51 -3.33 0.24 0.00 -0.31 0.00 0.00 39.34 36.45 1frn n TYR 212 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1frn h LYS 213 N 0.00 0.97 -0.65 -0.72 3.64 -2.00 -0.51 116.57 117.30 1frn h LYS 213 Ca -0.40 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 58.93 1frn h LYS 213 Cb 1.24 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 1frn h LYS 213 CO 0.54 0.64 0.43 1.49 -2.27 0.00 0.00 179.45 180.28 1frn h GLU 214 N 1.00 0.84 -0.34 1.90 4.81 -1.91 0.15 114.58 121.03 1frn h GLU 214 Ca 0.47 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.56 1frn h GLU 214 Cb 0.43 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1frn h GLU 214 CO -0.24 0.56 -0.17 0.93 -0.73 0.00 0.00 179.01 179.36 1frn h GLU 215 N 0.87 0.72 -0.35 1.92 5.08 -1.52 -2.52 114.58 118.78 1frn h GLU 215 Ca 0.24 -0.32 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1frn h GLU 215 Cb -0.08 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1frn h GLU 215 CO -0.05 0.92 -0.23 0.74 -1.00 0.00 0.00 179.01 179.39 1frn h PHE 216 N 0.49 0.76 -0.16 4.33 0.04 -0.49 -1.94 116.94 119.98 1frn h PHE 216 Ca 0.07 -0.17 -0.05 0.00 2.80 0.00 0.00 57.97 60.63 1frn h PHE 216 Cb 0.71 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 1frn h PHE 216 CO 0.06 0.84 -0.14 0.93 -0.60 0.00 0.00 178.31 179.41 1frn h GLU 217 N 0.59 0.25 -0.05 1.51 4.39 -0.62 -1.42 114.58 119.23 1frn h GLU 217 Ca 0.08 -0.06 -0.17 0.00 0.34 0.00 0.00 59.36 59.55 1frn h GLU 217 Cb 0.70 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1frn h GLU 217 CO 0.05 0.39 -0.72 0.87 -1.16 0.00 0.00 179.01 178.45 1frn h LYS 218 N 0.24 0.28 -0.36 2.33 1.57 -0.96 -2.68 116.57 116.99 1frn h LYS 218 Ca 0.05 -0.23 -0.12 0.00 -1.87 0.00 0.00 60.65 58.47 1frn h LYS 218 Cb 0.39 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1frn h LYS 218 CO 0.02 0.88 -0.27 0.52 -0.57 0.00 0.00 179.45 180.04 1frn h MET 219 N 0.19 0.75 -0.40 3.15 2.86 -0.99 -2.18 114.93 118.31 1frn h MET 219 Ca -0.02 -0.32 -0.00 0.00 -2.06 0.00 0.00 59.70 57.29 1frn h MET 219 Cb 1.28 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.90 1frn h MET 219 CO 0.12 0.93 0.24 -0.22 1.06 0.00 0.00 176.91 179.04 1frn h LYS 220 N 0.64 0.55 -0.39 1.72 1.63 -1.14 -0.36 116.57 119.22 1frn h LYS 220 Ca 0.08 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.85 1frn h LYS 220 Cb 0.78 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.27 1frn h LYS 220 CO 0.06 0.41 0.23 1.49 -3.45 0.00 0.00 179.45 178.20 1frn h GLU 221 N 0.53 0.46 -0.42 1.90 4.81 -1.42 -1.67 114.58 118.75 1frn h GLU 221 Ca 0.14 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1frn h GLU 221 Cb 0.01 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1frn h GLU 221 CO -0.03 0.30 0.18 0.87 -0.73 0.00 0.00 179.01 179.61 1frn h LYS 222 N 0.47 0.63 -2.12 1.92 1.57 -0.94 -3.35 116.57 114.75 1frn h LYS 222 Ca 0.15 -0.11 -0.53 0.00 -1.87 0.00 0.00 60.65 58.29 1frn h LYS 222 Cb 0.00 -0.11 -0.41 0.00 0.08 0.00 0.00 32.23 31.80 1frn h LYS 222 CO -0.07 0.57 -0.91 0.00 -0.57 0.00 0.00 179.45 178.47 1frn n ALA 223 N -2.30 3.42 0.14 3.86 0.00 -0.19 -4.96 120.51 120.49 1frn n ALA 223 Ca 0.00 -4.06 0.17 0.00 0.00 0.00 0.00 53.44 49.55 1frn n ALA 223 Cb 0.14 -0.82 0.76 0.00 0.00 0.00 0.00 19.45 19.52 1frn n ALA 223 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1frn h PRO 224 N 2.98 0.00 -0.01 0.00 0.13 -1.45 -0.66 132.00 132.99 1frn h PRO 224 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1frn h PRO 224 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1frn h PRO 224 CO 0.67 0.00 -0.38 -0.25 -0.23 0.00 0.00 178.00 177.81 1frn n ASP 225 N -4.07 1.45 -0.12 1.44 8.00 -1.26 -4.13 116.55 117.86 1frn n ASP 225 Ca 0.04 -1.15 0.03 0.00 0.71 0.00 0.00 54.79 54.42 1frn n ASP 225 Cb 0.40 0.31 -0.01 0.00 -0.02 0.00 0.00 41.12 41.80 1frn n ASP 225 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1frn n ASN 226 N -0.41 0.86 -3.90 -2.24 4.13 -0.43 -4.86 115.26 108.40 1frn n ASN 226 Ca 0.11 -0.93 -0.17 0.00 1.68 0.00 0.00 54.58 55.26 1frn n ASN 226 Cb 0.40 0.58 -0.15 0.00 -1.54 0.00 0.00 39.78 39.07 1frn n ASN 226 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1frn s PHE 227 N -1.20 0.51 -0.02 3.10 5.36 -0.39 -0.16 117.98 125.18 1frn s PHE 227 Ca 0.05 -0.10 0.07 0.00 -0.96 0.00 0.00 56.93 55.99 1frn s PHE 227 Cb 0.05 -0.44 -0.02 0.00 -0.34 0.00 0.00 43.02 42.28 1frn s PHE 227 CO 0.20 -0.10 -0.23 1.03 -1.46 0.00 0.00 175.22 174.66 1frn s ARG 228 N 0.52 1.89 -0.05 10.12 0.52 0.10 -4.75 118.95 127.30 1frn s ARG 228 Ca -0.06 -0.83 0.01 0.00 -0.52 0.00 0.00 55.73 54.33 1frn s ARG 228 Cb -0.09 -1.82 0.02 0.00 0.52 0.00 0.00 34.95 33.58 1frn s ARG 228 CO -0.00 0.49 -0.05 -1.17 0.02 0.00 0.00 175.30 174.59 1frn s LEU 229 N -0.53 1.31 -0.02 2.53 2.96 -1.26 -0.83 118.68 122.85 1frn s LEU 229 Ca 0.08 -0.13 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 1frn s LEU 229 Cb -0.09 -0.46 0.03 0.00 0.50 0.00 0.00 46.19 46.16 1frn s LEU 229 CO -0.01 -0.06 0.02 -1.81 -1.32 0.00 0.00 176.35 173.18 1frn s ASP 230 N 0.95 0.09 0.06 3.68 1.01 -0.01 -4.99 116.67 117.46 1frn s ASP 230 Ca -0.11 0.03 0.03 0.00 0.71 0.00 0.00 52.55 53.21 1frn s ASP 230 Cb -0.14 -0.07 -0.04 0.00 1.01 0.00 0.00 42.92 43.68 1frn s ASP 230 CO -0.00 -0.11 0.02 -0.36 0.21 0.00 0.00 175.17 174.93 1frn s PHE 231 N 0.93 3.07 -0.27 4.23 0.08 -1.26 -0.39 117.98 124.38 1frn s PHE 231 Ca -0.08 0.04 -0.00 0.00 0.12 0.00 0.00 56.93 57.01 1frn s PHE 231 Cb -0.11 -1.60 0.08 0.00 -0.57 0.00 0.00 43.02 40.81 1frn s PHE 231 CO -0.02 0.49 0.03 0.00 -0.10 0.00 0.00 175.22 175.61 1frn s ALA 232 N -1.25 1.75 -0.86 5.36 0.00 0.67 -4.91 121.76 122.52 1frn s ALA 232 Ca 0.24 -1.49 -0.10 0.00 0.00 0.00 0.00 51.96 50.61 1frn s ALA 232 Cb -0.12 -1.52 0.22 0.00 0.00 0.00 0.00 23.12 21.71 1frn s ALA 232 CO 0.16 -1.42 0.79 0.08 0.00 0.00 0.00 175.76 175.38 1frn s VAL 233 N 1.50 5.25 0.13 0.00 1.01 -1.25 -0.76 120.40 126.28 1frn s VAL 233 Ca 0.03 -2.92 -0.26 0.00 0.00 0.00 0.00 61.98 58.83 1frn s VAL 233 Cb -0.18 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 31.90 1frn s VAL 233 CO -0.13 -1.04 1.33 -1.54 0.00 0.00 0.00 175.10 173.71 1frn n SER 234 N 3.43 -0.89 -0.27 3.32 3.41 -0.52 -0.62 113.62 121.47 1frn n SER 234 Ca 0.16 1.53 0.00 0.00 -0.26 0.00 0.00 58.87 60.30 1frn n SER 234 Cb 0.43 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1frn n SER 234 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1frn n ARG 235 N -5.00 0.79 0.00 4.33 1.74 -0.60 -3.44 116.66 114.47 1frn n ARG 235 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1frn n ARG 235 Cb 0.22 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 1frn n ARG 235 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1frn n GLU 236 N -0.17 0.00 -4.73 5.56 1.02 0.21 -5.00 120.64 117.52 1frn n GLU 236 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 1frn n GLU 236 Cb 0.11 -0.14 -0.15 0.00 -0.02 0.00 0.00 31.44 31.24 1frn n GLU 236 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1frn s GLN 237 N 0.00 1.27 0.11 3.49 -0.21 -0.57 -5.05 119.66 118.71 1frn s GLN 237 Ca 0.00 -0.58 0.05 0.00 0.02 0.00 0.00 55.36 54.85 1frn s GLN 237 Cb 0.00 -1.24 -0.04 0.00 1.00 0.00 0.00 33.01 32.74 1frn s GLN 237 CO 0.00 0.34 -0.12 0.95 -2.12 0.00 0.00 175.29 174.33 1frn s THR 238 N -0.40 1.18 0.74 -0.19 -4.23 -1.25 -0.24 115.64 111.25 1frn s THR 238 Ca 0.06 -1.69 -0.05 0.00 -1.18 0.00 0.00 61.69 58.83 1frn s THR 238 Cb -0.06 -1.47 0.11 0.00 1.34 0.00 0.00 72.50 72.42 1frn s THR 238 CO -0.00 -0.47 1.03 0.54 -0.54 0.00 0.00 174.62 175.18 1frn s ASN 239 N -2.46 4.36 0.24 3.99 4.22 0.39 -4.88 114.94 120.80 1frn s ASN 239 Ca 0.08 0.03 -0.09 0.00 -2.14 0.00 0.00 52.86 50.74 1frn s ASN 239 Cb -0.04 -0.49 0.39 0.00 1.28 0.00 0.00 41.25 42.39 1frn s ASN 239 CO 0.02 -1.86 1.63 -0.33 -2.04 0.00 0.00 177.10 174.52 1frn h GLU 240 N -0.68 0.07 -0.05 3.55 3.07 -2.01 0.19 114.58 118.72 1frn h GLU 240 Ca -0.41 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.46 1frn h GLU 240 Cb 1.28 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1frn h GLU 240 CO 0.47 0.05 0.23 -0.22 -1.40 0.00 0.00 179.01 178.14 1frn h LYS 241 N 0.07 0.00 0.00 2.33 3.64 -2.04 -3.44 116.57 117.13 1frn h LYS 241 Ca 0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1frn h LYS 241 Cb 0.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1frn h LYS 241 CO -0.67 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 176.92 1frn n GLY 242 N -1.22 0.94 3.77 5.01 0.00 0.65 -5.08 105.19 109.26 1frn n GLY 242 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1frn n GLY 242 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1frn s GLU 243 N -0.93 3.39 0.39 1.61 2.02 -1.24 -4.66 118.70 119.27 1frn s GLU 243 Ca 0.00 1.64 -0.28 0.00 0.02 0.00 0.00 54.97 56.36 1frn s GLU 243 Cb 0.00 -2.05 -0.10 0.00 0.10 0.00 0.00 34.13 32.08 1frn s GLU 243 CO 0.00 -0.83 1.45 0.15 0.02 0.00 0.00 175.26 176.06 1frn s LYS 244 N -3.21 4.05 -1.36 1.61 1.02 -1.26 -0.46 119.74 120.12 1frn s LYS 244 Ca 0.72 2.50 -0.14 0.00 0.02 0.00 0.00 55.97 59.07 1frn s LYS 244 Cb -0.25 -2.91 0.09 0.00 -0.52 0.00 0.00 37.83 34.24 1frn s LYS 244 CO 0.28 -0.55 1.97 -0.12 -0.92 0.00 0.00 175.35 176.01 1frn n MET 245 N 0.36 3.16 -1.77 1.68 0.00 0.66 -4.75 117.12 116.46 1frn n MET 245 Ca 0.02 -3.08 -0.29 0.00 -0.00 0.00 0.00 57.70 54.34 1frn n MET 245 Cb 0.40 -3.22 0.13 0.00 0.00 0.00 0.00 33.22 30.53 1frn n MET 245 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1frn s TYR 246 N 2.55 2.45 0.10 1.12 2.02 -1.26 -3.27 117.35 121.06 1frn s TYR 246 Ca 0.46 0.68 -0.22 0.00 -0.37 0.00 0.00 57.07 57.62 1frn s TYR 246 Cb 0.09 -3.59 -0.10 0.00 -0.40 0.00 0.00 41.96 37.96 1frn s TYR 246 CO -0.02 -2.21 1.72 0.97 -1.57 0.00 0.00 175.55 174.44 1frn h ILE 247 N -1.37 0.90 -0.54 2.71 2.10 -1.93 0.25 117.51 119.64 1frn h ILE 247 Ca -0.47 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.45 1frn h ILE 247 Cb 1.31 0.90 -0.03 0.00 -1.09 0.00 0.00 36.82 37.92 1frn h ILE 247 CO 0.58 0.00 0.25 0.06 -1.08 0.00 0.00 178.15 177.96 1frn h GLN 248 N -0.02 0.76 -0.14 2.19 -0.00 -1.93 0.59 115.11 116.55 1frn h GLN 248 Ca 0.04 -0.09 -0.02 0.00 -0.00 0.00 0.00 58.65 58.57 1frn h GLN 248 Cb 0.08 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.48 27.40 1frn h GLN 248 CO -0.08 0.59 -0.01 1.15 -0.00 0.00 0.00 178.83 180.48 1frn h THR 249 N 0.76 1.10 0.16 1.86 2.02 -1.59 0.20 112.91 117.42 1frn h THR 249 Ca 0.19 -0.40 -0.31 0.00 0.77 0.00 0.00 66.41 66.65 1frn h THR 249 Cb 0.09 1.01 0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1frn h THR 249 CO -0.02 0.13 -1.48 -0.09 0.37 0.00 0.00 175.52 174.43 1frn h ARG 250 N 0.20 0.34 -0.74 6.66 9.65 0.14 -3.35 114.38 127.28 1frn h ARG 250 Ca 0.05 -0.57 -0.05 0.00 -1.10 0.00 0.00 59.98 58.30 1frn h ARG 250 Cb 0.16 0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 28.92 1frn h ARG 250 CO 0.00 1.24 0.25 0.52 2.80 0.00 0.00 179.97 184.78 1frn h MET 251 N 0.09 1.13 -1.06 0.20 2.86 -0.23 -3.00 114.93 114.93 1frn h MET 251 Ca -0.23 -0.23 0.28 0.00 -2.06 0.00 0.00 59.70 57.46 1frn h MET 251 Cb 2.05 -0.17 -0.09 0.00 0.06 0.00 0.00 31.60 33.45 1frn h MET 251 CO 0.20 0.95 0.69 0.00 1.06 0.00 0.00 176.91 179.81 1frn h ALA 252 N 1.13 2.32 0.00 6.32 0.00 -0.77 1.52 119.26 129.77 1frn h ALA 252 Ca 0.24 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1frn h ALA 252 Cb 0.28 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1frn h ALA 252 CO -0.01 -0.73 0.00 0.94 0.00 0.00 0.00 179.25 179.44 1frn n GLN 253 N -4.61 0.12 -0.14 0.00 7.27 -1.13 -2.69 117.38 116.21 1frn n GLN 253 Ca 0.26 0.51 0.03 0.00 0.07 0.00 0.00 57.00 57.87 1frn n GLN 253 Cb 0.94 -1.81 0.04 0.00 2.41 0.00 0.00 30.24 31.82 1frn n GLN 253 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1frn n TYR 254 N -2.06 0.00 -0.23 3.69 4.01 0.51 -4.89 117.16 118.19 1frn n TYR 254 Ca 0.00 -0.44 -0.08 0.00 -0.16 0.00 0.00 57.90 57.22 1frn n TYR 254 Cb 0.10 -0.07 -0.04 0.00 -0.31 0.00 0.00 39.34 39.02 1frn n TYR 254 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1frn h ALA 255 N 0.00 -0.32 -0.81 -0.72 0.00 -1.15 0.65 119.26 116.91 1frn h ALA 255 Ca 0.00 0.12 0.20 0.00 0.00 0.00 0.00 54.91 55.23 1frn h ALA 255 Cb 0.96 1.00 -0.13 0.00 0.00 0.00 0.00 17.79 19.63 1frn h ALA 255 CO 0.00 -0.83 0.19 0.28 0.00 0.00 0.00 179.25 178.89 1frn h VAL 256 N -0.20 0.40 -0.05 0.00 2.07 -1.90 -0.24 116.25 116.33 1frn h VAL 256 Ca 0.19 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 1frn h VAL 256 Cb 0.56 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1frn h VAL 256 CO -0.73 0.04 0.01 -0.08 0.02 0.00 0.00 177.57 176.84 1frn h GLU 257 N 0.23 0.08 -0.22 1.57 4.81 -1.46 -1.01 114.58 118.58 1frn h GLU 257 Ca 0.48 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.55 1frn h GLU 257 Cb 0.90 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 1frn h GLU 257 CO -0.59 0.30 -0.43 -0.07 -0.73 0.00 0.00 179.01 177.49 1frn h LEU 258 N -0.16 0.58 -0.25 1.64 3.38 -0.36 0.12 115.31 120.26 1frn h LEU 258 Ca 0.01 -0.27 -0.14 0.00 0.09 0.00 0.00 57.88 57.58 1frn h LEU 258 Cb 0.26 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1frn h LEU 258 CO 0.00 0.94 -0.40 -0.25 0.09 0.00 0.00 178.44 178.81 1frn h TRP 259 N 0.44 0.88 -0.64 1.13 2.91 -1.12 -0.09 115.95 119.46 1frn h TRP 259 Ca 0.03 -0.30 -0.01 0.00 1.13 0.00 0.00 58.89 59.74 1frn h TRP 259 Cb 0.94 -0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 29.38 1frn h TRP 259 CO 0.04 1.08 0.36 1.49 -1.03 0.00 0.00 178.44 180.38 1frn h GLU 260 N 0.43 0.87 -0.44 2.65 4.57 -0.76 -2.26 114.58 119.64 1frn h GLU 260 Ca 0.02 -0.08 -0.09 0.00 -1.18 0.00 0.00 59.36 58.03 1frn h GLU 260 Cb 1.00 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.40 1frn h GLU 260 CO 0.09 0.63 -0.06 0.52 -1.18 0.00 0.00 179.01 179.01 1frn h MET 261 N 0.88 0.82 -0.01 1.92 2.86 -0.53 -2.56 114.93 118.32 1frn h MET 261 Ca 0.23 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1frn h MET 261 Cb -0.00 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 1frn h MET 261 CO -0.04 0.91 0.07 -0.07 1.06 0.00 0.00 176.91 178.84 1frn h LEU 262 N 0.66 0.00 -0.03 1.22 3.38 -0.42 -1.86 115.31 118.26 1frn h LEU 262 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1frn h LEU 262 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1frn h LEU 262 CO 0.03 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.85 1frn n LYS 263 N -3.13 0.10 -3.77 1.13 5.02 -0.96 -4.83 118.16 111.73 1frn n LYS 263 Ca -0.03 0.11 -0.37 0.00 -2.02 0.00 0.00 58.31 56.00 1frn n LYS 263 Cb 0.13 -1.63 -0.06 0.00 -0.02 0.00 0.00 35.03 33.46 1frn n LYS 263 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1frn s LYS 264 N -3.05 3.61 0.47 1.97 1.02 -0.70 -5.02 119.74 118.04 1frn s LYS 264 Ca 0.12 0.01 0.17 0.00 0.02 0.00 0.00 55.97 56.29 1frn s LYS 264 Cb 0.16 -3.21 1.14 0.00 -0.52 0.00 0.00 37.83 35.40 1frn s LYS 264 CO 0.53 0.73 2.00 0.22 -0.92 0.00 0.00 175.35 177.91 1frn h ASP 265 N 5.02 0.24 -0.39 2.83 3.58 -1.88 -2.60 116.42 123.22 1frn h ASP 265 Ca -0.53 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 56.87 1frn h ASP 265 Cb 1.22 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 42.20 1frn h ASP 265 CO 0.60 0.14 0.06 -0.46 -2.88 0.00 0.00 179.24 176.71 1frn n ASN 266 N -4.46 3.81 -4.62 2.28 6.94 -1.26 -4.87 115.26 113.08 1frn n ASN 266 Ca 0.08 -2.63 -0.34 0.00 -0.02 0.00 0.00 54.58 51.67 1frn n ASN 266 Cb 0.40 -0.63 -0.10 0.00 -2.36 0.00 0.00 39.78 37.09 1frn n ASN 266 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1frn s THR 267 N -2.06 4.64 -0.09 5.53 2.01 -0.98 -0.61 115.64 124.08 1frn s THR 267 Ca 0.33 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.27 1frn s THR 267 Cb 0.26 -3.08 0.01 0.00 0.01 0.00 0.00 72.50 69.70 1frn s THR 267 CO 0.09 0.47 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.02 1frn s TYR 268 N 0.32 1.94 -0.17 4.92 1.51 0.11 -4.79 117.35 121.19 1frn s TYR 268 Ca 0.02 -0.84 -0.08 0.00 -1.01 0.00 0.00 57.07 55.16 1frn s TYR 268 Cb -0.13 -1.38 -0.05 0.00 -0.11 0.00 0.00 41.96 40.30 1frn s TYR 268 CO 0.01 -0.40 0.12 -0.06 -1.11 0.00 0.00 175.55 174.10 1frn s PHE 269 N 0.75 3.45 -0.03 2.71 0.40 0.84 -1.54 117.98 124.56 1frn s PHE 269 Ca -0.12 0.37 0.03 0.00 -0.60 0.00 0.00 56.93 56.61 1frn s PHE 269 Cb -0.16 -2.06 0.00 0.00 0.51 0.00 0.00 43.02 41.31 1frn s PHE 269 CO 0.02 0.43 -0.12 0.71 0.70 0.00 0.00 175.22 176.97 1frn s TYR 270 N -0.15 1.23 -0.02 0.36 1.51 0.45 -0.02 117.35 120.71 1frn s TYR 270 Ca 0.10 -0.32 0.02 0.00 -1.01 0.00 0.00 57.07 55.86 1frn s TYR 270 Cb -0.11 -0.85 0.00 0.00 -0.11 0.00 0.00 41.96 40.89 1frn s TYR 270 CO 0.00 -0.12 -0.09 1.41 -1.11 0.00 0.00 175.55 175.65 1frn s MET 271 N 0.11 0.92 -0.15 -0.62 1.75 0.94 -1.37 119.30 120.88 1frn s MET 271 Ca -0.03 -0.29 -0.12 0.00 -1.25 0.00 0.00 55.69 54.00 1frn s MET 271 Cb -0.09 -0.87 0.04 0.00 2.84 0.00 0.00 34.83 36.75 1frn s MET 271 CO 0.01 0.11 0.38 0.00 -0.65 0.00 0.00 175.02 174.87 1frn n GLY 273 N 3.22 0.22 3.70 0.00 0.00 -1.07 -1.88 105.19 109.38 1frn n GLY 273 Ca -0.16 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 1frn n GLY 273 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1frn s LEU 274 N 0.00 4.35 0.37 0.99 2.01 -1.26 0.85 118.68 125.98 1frn s LEU 274 Ca 0.00 2.26 0.23 0.00 0.01 0.00 0.00 54.13 56.63 1frn s LEU 274 Cb 0.00 -3.57 1.32 0.00 0.01 0.00 0.00 46.19 43.95 1frn s LEU 274 CO 0.00 -0.72 1.50 0.29 1.01 0.00 0.00 176.35 178.43 1frn n LYS 275 N 4.80 -0.05 -0.35 1.70 4.76 0.11 -0.39 118.16 128.74 1frn n LYS 275 Ca 0.13 1.29 0.12 0.00 -2.87 0.00 0.00 58.31 56.98 1frn n LYS 275 Cb 0.43 -2.36 0.31 0.00 -1.84 0.00 0.00 35.03 31.57 1frn n LYS 275 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1frn h GLY 276 N 0.00 1.72 1.28 0.72 0.00 -1.89 -2.49 103.07 102.41 1frn h GLY 276 Ca 0.82 -0.37 0.08 0.00 0.00 0.00 0.00 47.33 47.86 1frn h GLY 276 CO -0.67 -0.02 0.28 0.00 0.00 0.00 0.00 176.54 176.14 1frn h MET 277 N 0.80 0.00 -0.25 4.80 -0.00 -1.09 -2.89 114.93 116.29 1frn h MET 277 Ca 0.56 0.00 0.03 0.00 -0.00 0.00 0.00 59.70 60.29 1frn h MET 277 Cb 0.83 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.40 1frn h MET 277 CO -0.35 0.00 0.04 1.49 -0.00 0.00 0.00 176.91 178.09 1frn h GLU 278 N 0.00 0.13 0.38 -0.10 4.81 -1.63 -3.17 114.58 114.99 1frn h GLU 278 Ca 0.13 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1frn h GLU 278 Cb 0.69 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1frn h GLU 278 CO -0.00 0.09 -0.30 -0.22 -0.73 0.00 0.00 179.01 177.85 1frn h LYS 279 N 0.13 -0.65 0.00 1.92 3.64 -1.73 -1.95 116.57 117.93 1frn h LYS 279 Ca 0.11 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1frn h LYS 279 Cb 0.12 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1frn h LYS 279 CO -0.16 -0.44 0.05 0.78 -2.27 0.00 0.00 179.45 177.42 1frn h GLY 280 N -0.68 0.00 0.63 5.01 0.00 -1.71 0.31 103.07 106.64 1frn h GLY 280 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.95 1frn h GLY 280 CO -0.01 0.00 -1.98 1.39 0.00 0.00 0.00 176.54 175.94 1frn n ILE 281 N -2.72 1.71 -0.04 2.60 5.41 -0.89 -3.20 119.36 122.22 1frn n ILE 281 Ca -0.02 -0.69 -0.01 0.00 1.00 0.00 0.00 62.75 63.02 1frn n ILE 281 Cb 0.10 -1.50 0.26 0.00 -0.71 0.00 0.00 39.64 37.79 1frn n ILE 281 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1frn h ASP 282 N 0.05 0.58 -0.09 4.38 3.32 -0.65 0.49 116.42 124.51 1frn h ASP 282 Ca -0.41 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 56.54 1frn h ASP 282 Cb 2.03 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 41.41 1frn h ASP 282 CO 0.07 0.63 0.01 0.44 -1.72 0.00 0.00 179.24 178.67 1frn h ASP 283 N 0.59 -0.02 0.12 6.45 3.32 -1.04 0.17 116.42 126.02 1frn h ASP 283 Ca 0.13 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1frn h ASP 283 Cb 0.34 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1frn h ASP 283 CO 0.01 0.00 -0.12 0.40 -1.72 0.00 0.00 179.24 177.81 1frn h ILE 284 N 0.04 0.73 -0.07 0.35 1.08 -1.45 -3.19 117.51 115.00 1frn h ILE 284 Ca 0.04 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.53 1frn h ILE 284 Cb 0.04 0.73 -0.02 0.00 -3.07 0.00 0.00 36.82 34.50 1frn h ILE 284 CO -0.06 0.00 -0.06 0.24 -0.69 0.00 0.00 178.15 177.58 1frn h MET 285 N -0.27 -0.08 -1.03 2.37 2.86 -0.64 -2.18 114.93 115.98 1frn h MET 285 Ca 0.00 0.01 0.29 0.00 -2.06 0.00 0.00 59.70 57.94 1frn h MET 285 Cb 0.25 0.02 -0.13 0.00 0.06 0.00 0.00 31.60 31.80 1frn h MET 285 CO -0.03 -0.05 0.61 0.28 1.06 0.00 0.00 176.91 178.78 1frn h VAL 286 N -0.08 0.42 0.09 -2.22 2.07 -0.65 -0.61 116.25 115.27 1frn h VAL 286 Ca 0.05 -0.15 -0.20 0.00 0.82 0.00 0.00 66.70 67.23 1frn h VAL 286 Cb 0.15 -0.05 0.02 0.00 -1.52 0.00 0.00 31.29 29.89 1frn h VAL 286 CO -0.11 0.08 -0.83 0.28 0.02 0.00 0.00 177.57 177.01 1frn h SER 287 N 0.43 0.57 -0.07 0.57 0.02 -1.41 -2.37 113.55 111.29 1frn h SER 287 Ca 0.68 -0.86 0.03 0.00 -0.84 0.00 0.00 61.79 60.80 1frn h SER 287 Cb 1.52 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.84 1frn h SER 287 CO -0.50 1.37 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.38 1frn h LEU 288 N -0.16 -0.37 -0.40 5.07 3.38 -0.90 -2.30 115.31 119.63 1frn h LEU 288 Ca -0.13 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1frn h LEU 288 Cb 1.58 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.49 1frn h LEU 288 CO 0.16 -0.17 0.12 0.00 0.09 0.00 0.00 178.44 178.64 1frn h ALA 289 N 0.85 0.53 -0.69 1.53 0.00 -1.19 -2.83 119.26 117.47 1frn h ALA 289 Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1frn h ALA 289 Cb 0.27 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1frn h ALA 289 CO -0.18 0.18 0.45 0.00 0.00 0.00 0.00 179.25 179.70 1frn h ALA 290 N 0.97 1.49 -0.26 0.00 0.00 -1.27 0.34 119.26 120.52 1frn h ALA 290 Ca 0.13 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.06 1frn h ALA 290 Cb 0.27 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1frn h ALA 290 CO -0.00 0.46 0.39 0.00 0.00 0.00 0.00 179.25 180.10 1frn h ALA 291 N 1.56 1.85 -0.17 0.00 0.00 -1.15 0.45 119.26 121.79 1frn h ALA 291 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1frn h ALA 291 Cb -0.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1frn h ALA 291 CO -0.05 -0.53 0.00 -1.91 0.00 0.00 0.00 179.25 176.76 1frn n GLU 292 N -3.46 1.69 -0.53 0.00 2.13 0.10 -4.94 120.64 115.63 1frn n GLU 292 Ca 0.04 -1.69 0.00 0.00 0.66 0.00 0.00 57.16 56.17 1frn n GLU 292 Cb 0.52 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 30.92 1frn n GLU 292 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1frn n GLY 293 N 0.87 0.68 3.46 8.31 0.00 0.16 -5.06 105.19 113.60 1frn n GLY 293 Ca 0.11 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 1frn n GLY 293 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1frn s ILE 294 N -2.00 2.89 -0.52 -0.61 1.01 -0.08 -4.97 121.20 116.93 1frn s ILE 294 Ca 0.00 -0.88 -0.23 0.00 0.00 0.00 0.00 60.65 59.54 1frn s ILE 294 Cb 0.00 -2.14 0.04 0.00 0.01 0.00 0.00 42.46 40.37 1frn s ILE 294 CO 0.00 0.52 0.85 -0.62 0.00 0.00 0.00 174.94 175.70 1frn s ASP 295 N -0.91 6.34 0.25 3.58 2.15 -1.26 -2.86 116.67 123.96 1frn s ASP 295 Ca 0.12 -0.38 -0.03 0.00 0.43 0.00 0.00 52.55 52.70 1frn s ASP 295 Cb -0.11 -2.40 0.51 0.00 -0.30 0.00 0.00 42.92 40.63 1frn s ASP 295 CO 0.02 -1.10 1.71 -0.25 -0.17 0.00 0.00 175.17 175.38 1frn h TRP 296 N 9.18 0.49 -0.80 -5.34 -0.00 -1.90 0.71 115.95 118.29 1frn h TRP 296 Ca -0.26 0.04 0.08 0.00 -0.00 0.00 0.00 58.89 58.75 1frn h TRP 296 Cb 1.08 -0.10 -0.07 0.00 -0.00 0.00 0.00 29.16 30.08 1frn h TRP 296 CO 0.86 0.01 0.47 0.82 -0.00 0.00 0.00 178.44 180.59 1frn h ILE 297 N 0.40 0.95 0.12 2.65 2.04 -1.98 0.74 117.51 122.43 1frn h ILE 297 Ca 0.44 -0.28 -0.29 0.00 1.00 0.00 0.00 64.86 65.74 1frn h ILE 297 Cb 0.73 0.07 0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1frn h ILE 297 CO -0.45 0.15 -1.23 -0.33 0.00 0.00 0.00 178.15 176.28 1frn h GLU 298 N 0.81 0.51 -0.05 2.37 4.39 -1.40 -2.97 114.58 118.24 1frn h GLU 298 Ca 0.37 -0.71 0.01 0.00 0.34 0.00 0.00 59.36 59.36 1frn h GLU 298 Cb 0.28 0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1frn h GLU 298 CO -0.22 1.32 0.01 -0.92 -1.16 0.00 0.00 179.01 178.04 1frn h TYR 299 N 0.21 0.02 -0.56 4.33 3.20 -0.51 -2.09 116.97 121.58 1frn h TYR 299 Ca -0.17 0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.80 1frn h TYR 299 Cb 1.91 -0.00 -0.08 0.00 1.54 0.00 0.00 36.73 40.10 1frn h TYR 299 CO 0.10 0.01 0.14 -0.22 -1.64 0.00 0.00 178.16 176.55 1frn h LYS 300 N 0.04 0.28 -0.85 1.82 3.64 -0.96 0.24 116.57 120.78 1frn h LYS 300 Ca 0.02 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1frn h LYS 300 Cb 0.01 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.72 1frn h LYS 300 CO -0.03 0.19 0.55 -0.09 -2.27 0.00 0.00 179.45 177.80 1frn h ARG 301 N 0.29 0.93 -0.09 1.90 2.43 -1.33 0.46 114.38 118.96 1frn h ARG 301 Ca 0.29 -0.06 -0.18 0.00 -0.81 0.00 0.00 59.98 59.23 1frn h ARG 301 Cb 0.39 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1frn h ARG 301 CO -0.34 0.61 -0.69 1.96 -1.51 0.00 0.00 179.97 180.00 1frn h GLN 302 N 0.95 0.41 -0.75 0.20 4.20 -0.23 -1.81 115.11 118.07 1frn h GLN 302 Ca 0.36 -0.32 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1frn h GLN 302 Cb 0.19 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1frn h GLN 302 CO -0.13 0.94 0.38 -0.07 -0.67 0.00 0.00 178.83 179.29 1frn h LEU 303 N 0.29 0.97 -0.62 1.46 3.38 0.13 -1.39 115.31 119.53 1frn h LEU 303 Ca -0.02 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.85 1frn h LEU 303 Cb 1.25 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 1frn h LEU 303 CO 0.12 0.82 0.40 0.11 0.09 0.00 0.00 178.44 179.97 1frn h LYS 304 N 1.05 0.77 -0.09 1.13 1.57 0.07 0.23 116.57 121.31 1frn h LYS 304 Ca 0.26 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 1frn h LYS 304 Cb 0.09 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1frn h LYS 304 CO -0.04 0.51 -0.29 -0.22 -0.57 0.00 0.00 179.45 178.85 1frn h LYS 305 N 0.79 0.16 -0.00 3.15 3.64 -0.97 -1.58 116.57 121.77 1frn h LYS 305 Ca 0.24 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1frn h LYS 305 Cb -0.03 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1frn h LYS 305 CO -0.08 0.44 -0.01 0.00 -2.27 0.00 0.00 179.45 177.53 1frn n ALA 306 N -2.48 2.66 -1.42 5.00 0.00 -0.55 -4.88 120.51 118.84 1frn n ALA 306 Ca -0.01 -0.24 -0.09 0.00 0.00 0.00 0.00 53.44 53.10 1frn n ALA 306 Cb 0.37 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 1frn n ALA 306 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1frn n GLU 307 N -0.83 -0.61 0.00 0.00 1.02 -0.59 -4.90 120.64 114.73 1frn n GLU 307 Ca 0.21 0.73 0.09 0.00 -0.02 0.00 0.00 57.16 58.18 1frn n GLU 307 Cb 0.18 -4.61 -0.11 0.00 -0.02 0.00 0.00 31.44 26.87 1frn n GLU 307 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1frn n GLN 308 N -2.58 0.43 -3.80 3.49 6.02 0.01 -4.78 117.38 116.17 1frn n GLN 308 Ca -0.09 -0.02 -0.30 0.00 -0.01 0.00 0.00 57.00 56.59 1frn n GLN 308 Cb 0.34 -1.44 -0.15 0.00 1.02 0.00 0.00 30.24 30.00 1frn n GLN 308 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 1frn s TRP 309 N -2.87 2.02 -0.15 1.08 -0.11 -1.19 -0.11 118.94 117.61 1frn s TRP 309 Ca 0.08 -1.82 0.01 0.00 1.22 0.00 0.00 56.10 55.59 1frn s TRP 309 Cb 0.15 -1.79 0.01 0.00 -1.50 0.00 0.00 33.47 30.34 1frn s TRP 309 CO 0.81 -0.84 -0.18 -0.80 -4.62 0.00 0.00 176.95 171.32 1frn s ASN 310 N 1.51 3.38 -0.02 5.86 0.01 0.97 -4.51 114.94 122.15 1frn s ASN 310 Ca 0.06 -0.55 0.03 0.00 -0.71 0.00 0.00 52.86 51.69 1frn s ASN 310 Cb -0.18 -1.51 -0.00 0.00 0.41 0.00 0.00 41.25 39.97 1frn s ASN 310 CO -0.18 0.07 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.70 1frn s VAL 311 N 0.90 0.77 -0.33 1.60 1.01 -1.26 -0.04 120.40 123.04 1frn s VAL 311 Ca -0.04 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1frn s VAL 311 Cb -0.15 -0.66 0.13 0.00 0.00 0.00 0.00 36.38 35.69 1frn s VAL 311 CO -0.03 0.23 0.19 -0.70 0.00 0.00 0.00 175.10 174.79 1frn s GLU 312 N -0.01 0.41 0.31 2.72 2.12 -0.40 -4.96 118.70 118.90 1frn s GLU 312 Ca 0.00 -0.98 0.11 0.00 0.36 0.00 0.00 54.97 54.45 1frn s GLU 312 Cb -0.06 -1.21 -0.06 0.00 0.26 0.00 0.00 34.13 33.07 1frn s GLU 312 CO 0.00 -1.14 -0.13 0.14 -0.54 0.00 0.00 175.26 173.60 1frn s VAL 313 N 1.50 2.42 0.00 3.70 -7.23 -1.26 -2.59 120.40 116.94 1frn s VAL 313 Ca 0.14 -2.26 0.00 0.00 -1.81 0.00 0.00 61.98 58.05 1frn s VAL 313 Cb -0.20 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.22 1frn s VAL 313 CO -0.14 -0.29 0.00 0.00 -0.31 0.00 0.00 175.10 174.36