#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x5a s LEU 2 N 0.00 3.23 0.06 3.17 1.02 -1.20 -4.99 118.68 119.97 2x5a s LEU 2 Ca 0.00 -0.12 -0.23 0.00 0.02 0.00 0.00 54.13 53.80 2x5a s LEU 2 Cb 0.00 -1.85 -0.06 0.00 0.02 0.00 0.00 46.19 44.30 2x5a s LEU 2 CO 0.00 0.28 0.68 -1.61 0.02 0.00 0.00 176.35 175.72 2x5a s GLU 3 N -1.43 4.40 -0.03 1.70 0.41 -1.25 -0.46 118.70 122.05 2x5a s GLU 3 Ca 0.17 0.92 0.04 0.00 -0.41 0.00 0.00 54.97 55.70 2x5a s GLU 3 Cb -0.11 -3.32 -0.01 0.00 -1.78 0.00 0.00 34.13 28.92 2x5a s GLU 3 CO 0.08 0.43 -0.15 0.00 -0.49 0.00 0.00 175.26 175.13 2x5a s ALA 4 N -0.49 1.29 -0.34 5.21 0.00 -0.58 -0.42 121.76 126.43 2x5a s ALA 4 Ca 0.34 -0.60 -0.07 0.00 0.00 0.00 0.00 51.96 51.63 2x5a s ALA 4 Cb -0.20 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.56 2x5a s ALA 4 CO 0.21 0.26 0.11 -0.80 0.00 0.00 0.00 175.76 175.54 2x5a s ASN 5 N -0.08 5.34 -0.30 0.00 0.01 0.01 -1.55 114.94 118.37 2x5a s ASN 5 Ca 0.00 -1.08 -0.14 0.00 -0.71 0.00 0.00 52.86 50.93 2x5a s ASN 5 Cb -0.09 -1.89 -0.03 0.00 0.41 0.00 0.00 41.25 39.65 2x5a s ASN 5 CO 0.01 -0.32 0.31 -0.69 -1.51 0.00 0.00 177.10 174.90 2x5a s VAL 6 N 1.43 5.22 0.21 1.60 1.01 -0.99 -1.45 120.40 127.43 2x5a s VAL 6 Ca -0.01 0.26 0.10 0.00 0.00 0.00 0.00 61.98 62.33 2x5a s VAL 6 Cb -0.19 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2x5a s VAL 6 CO 0.03 0.10 -0.12 -0.31 0.00 0.00 0.00 175.10 174.80 2x5a s TYR 7 N 1.95 2.53 0.63 5.22 2.02 -0.44 -0.91 117.35 128.34 2x5a s TYR 7 Ca 0.11 -0.27 -0.12 0.00 -0.37 0.00 0.00 57.07 56.42 2x5a s TYR 7 Cb -0.16 -1.20 -0.03 0.00 -0.40 0.00 0.00 41.96 40.17 2x5a s TYR 7 CO 0.11 0.56 1.04 -0.51 -1.57 0.00 0.00 175.55 175.18 2x5a s ASP 8 N -3.04 5.90 -0.07 2.29 1.01 -1.26 -0.30 116.67 121.20 2x5a s ASP 8 Ca 0.26 1.58 -0.40 0.00 0.71 0.00 0.00 52.55 54.70 2x5a s ASP 8 Cb -0.08 -2.50 -0.20 0.00 1.01 0.00 0.00 42.92 41.16 2x5a s ASP 8 CO 0.15 -1.09 1.12 -3.20 0.21 0.00 0.00 175.17 172.36 2x5a n ASN 9 N -2.60 0.17 -3.89 0.27 2.85 -1.24 -4.46 115.26 106.36 2x5a n ASN 9 Ca 0.07 1.14 -0.42 0.00 -0.11 0.00 0.00 54.58 55.26 2x5a n ASN 9 Cb 0.54 -0.89 -0.01 0.00 1.24 0.00 0.00 39.78 40.65 2x5a n ASN 9 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 2x5a n PHE 10 N 1.83 3.50 -1.84 1.20 3.72 -1.26 -4.94 117.46 119.67 2x5a n PHE 10 Ca 0.21 -2.76 -0.43 0.00 -0.05 0.00 0.00 57.45 54.43 2x5a n PHE 10 Cb 0.06 -2.47 -0.03 0.00 -0.94 0.00 0.00 39.48 36.10 2x5a n PHE 10 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2x5a s ASN 11 N 3.71 6.19 0.07 4.37 2.47 -1.26 -1.58 114.94 128.91 2x5a s ASN 11 Ca 0.50 2.08 0.22 0.00 0.42 0.00 0.00 52.86 56.07 2x5a s ASN 11 Cb 0.12 -2.53 0.88 0.00 -1.45 0.00 0.00 41.25 38.27 2x5a s ASN 11 CO -0.03 -1.34 1.67 -0.81 -3.72 0.00 0.00 177.10 172.88 2x5a n PRO 12 N 7.85 0.07 0.15 0.43 -0.05 -1.26 -1.69 135.00 140.49 2x5a n PRO 12 Ca 0.22 0.21 0.13 0.00 -0.05 0.00 0.00 63.50 64.01 2x5a n PRO 12 Cb 0.44 -1.60 0.50 0.00 -0.05 0.00 0.00 33.50 32.78 2x5a n PRO 12 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 175.50 174.54 2x5a h ASN 13 N 0.00 0.00 0.00 3.54 2.35 -1.91 -2.86 115.58 116.70 2x5a h ASN 13 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 2x5a h ASN 13 Cb 0.40 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 2x5a h ASN 13 CO 0.00 0.00 -0.73 0.00 -1.65 0.00 0.00 177.43 175.05 2x5a n TYR 14 N -2.38 0.00 0.34 1.19 9.36 -0.99 -4.81 117.16 119.86 2x5a n TYR 14 Ca 0.02 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.39 2x5a n TYR 14 Cb 0.27 -0.23 0.54 0.00 -0.63 0.00 0.00 39.34 39.30 2x5a n TYR 14 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 2x5a h TYR 15 N -0.35 0.00 -1.14 2.98 -1.99 -1.46 -3.33 116.97 111.67 2x5a h TYR 15 Ca -0.08 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.05 2x5a h TYR 15 Cb 0.63 0.00 -0.16 0.00 2.00 0.00 0.00 36.73 39.20 2x5a h TYR 15 CO -0.11 0.00 1.14 -1.71 -0.00 0.00 0.00 178.16 177.48 2x5a n ASN 16 N -2.75 7.08 -3.81 3.88 5.15 -1.08 -3.34 115.26 120.39 2x5a n ASN 16 Ca 0.02 -3.21 -0.23 0.00 -0.60 0.00 0.00 54.58 50.56 2x5a n ASN 16 Cb 0.32 -1.27 -0.17 0.00 -0.53 0.00 0.00 39.78 38.12 2x5a n ASN 16 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2x5a s ILE 17 N -1.96 0.53 -1.42 -1.44 1.01 -1.25 -4.99 121.20 111.67 2x5a s ILE 17 Ca 0.57 0.01 -0.08 0.00 0.00 0.00 0.00 60.65 61.15 2x5a s ILE 17 Cb 0.31 -0.64 0.05 0.00 0.01 0.00 0.00 42.46 42.19 2x5a s ILE 17 CO -0.18 0.28 2.52 -1.20 0.00 0.00 0.00 174.94 176.36 2x5a n SER 18 N 4.98 7.88 -0.19 3.58 7.64 -1.26 -1.99 113.62 134.26 2x5a n SER 18 Ca -0.10 -2.95 0.03 0.00 1.01 0.00 0.00 58.87 56.87 2x5a n SER 18 Cb 0.50 -1.45 0.01 0.00 -1.01 0.00 0.00 64.21 62.26 2x5a n SER 18 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2x5a n ASP 19 N 2.66 1.18 -4.67 6.43 5.75 -1.15 -4.39 116.55 122.36 2x5a n ASP 19 Ca 0.65 -1.09 -0.42 0.00 -0.01 0.00 0.00 54.79 53.92 2x5a n ASP 19 Cb 0.26 0.32 -0.03 0.00 -1.03 0.00 0.00 41.12 40.64 2x5a n ASP 19 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2x5a s PHE 20 N -0.91 2.49 -0.45 2.11 5.36 -0.67 -4.88 117.98 121.04 2x5a s PHE 20 Ca 0.06 0.59 -0.27 0.00 -0.96 0.00 0.00 56.93 56.36 2x5a s PHE 20 Cb 0.06 -3.74 0.03 0.00 -0.34 0.00 0.00 43.02 39.02 2x5a s PHE 20 CO 0.14 -2.89 1.02 0.45 -1.46 0.00 0.00 175.22 172.48 2x5a s SER 21 N 2.49 6.61 0.56 6.13 0.15 -1.26 -1.48 113.70 126.90 2x5a s SER 21 Ca 0.66 0.39 -0.17 0.00 0.70 0.00 0.00 55.95 57.53 2x5a s SER 21 Cb -0.30 -2.50 -0.05 0.00 -1.71 0.00 0.00 66.02 61.46 2x5a s SER 21 CO 0.25 -1.10 1.06 -0.04 1.20 0.00 0.00 173.24 174.62 2x5a s MET 22 N 4.00 3.41 0.55 5.44 1.00 -0.79 -4.97 119.30 127.95 2x5a s MET 22 Ca 0.42 1.30 0.24 0.00 0.00 0.00 0.00 55.69 57.65 2x5a s MET 22 Cb -0.09 -2.04 1.49 0.00 0.00 0.00 0.00 34.83 34.19 2x5a s MET 22 CO 0.27 -0.75 2.12 -1.35 0.00 0.00 0.00 175.02 175.32 2x5a h PRO 23 N 0.79 0.00 -0.03 2.03 0.11 -1.88 -1.69 132.00 131.32 2x5a h PRO 23 Ca -0.48 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 2x5a h PRO 23 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2x5a h PRO 23 CO 0.58 0.00 -0.69 -2.95 -0.21 0.00 0.00 178.00 174.73 2x5a h ASN 24 N 0.00 0.19 0.00 -2.05 -1.07 -1.93 -3.48 115.58 107.24 2x5a h ASN 24 Ca 0.08 -0.12 0.00 0.00 0.07 0.00 0.00 56.30 56.32 2x5a h ASN 24 Cb 0.34 -0.06 0.00 0.00 -2.07 0.00 0.00 38.32 36.54 2x5a h ASN 24 CO -0.00 0.82 0.00 0.61 0.07 0.00 0.00 177.43 178.93 2x5a n GLY 25 N 0.45 4.47 3.71 9.14 0.00 -0.64 -5.15 105.19 117.17 2x5a n GLY 25 Ca -0.02 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 2x5a n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x5a s LYS 26 N 0.00 1.62 -0.15 1.61 0.00 -1.26 -4.48 119.74 117.08 2x5a s LYS 26 Ca 0.00 1.54 -0.13 0.00 0.00 0.00 0.00 55.97 57.38 2x5a s LYS 26 Cb 0.00 -1.80 -0.05 0.00 0.00 0.00 0.00 37.83 35.99 2x5a s LYS 26 CO 0.00 -2.18 0.28 0.15 0.00 0.00 0.00 175.35 173.60 2x5a s LYS 27 N -4.47 4.16 0.33 1.78 -0.14 -1.26 -1.88 119.74 118.26 2x5a s LYS 27 Ca 0.68 0.09 0.05 0.00 -1.36 0.00 0.00 55.97 55.42 2x5a s LYS 27 Cb -0.24 -3.39 -0.06 0.00 -1.68 0.00 0.00 37.83 32.46 2x5a s LYS 27 CO 0.53 0.32 0.02 -1.21 -0.76 0.00 0.00 175.35 174.26 2x5a s GLU 28 N 0.22 1.68 0.53 1.68 0.41 -0.55 -4.91 118.70 117.75 2x5a s GLU 28 Ca 0.16 -1.92 -0.21 0.00 -0.41 0.00 0.00 54.97 52.60 2x5a s GLU 28 Cb -0.13 -1.06 -0.05 0.00 -1.78 0.00 0.00 34.13 31.11 2x5a s GLU 28 CO 0.04 -0.11 1.22 0.15 -0.49 0.00 0.00 175.26 176.07 2x5a s LYS 29 N -3.82 3.34 0.07 1.61 1.02 -1.26 -1.66 119.74 119.03 2x5a s LYS 29 Ca 0.35 1.89 -0.33 0.00 0.02 0.00 0.00 55.97 57.90 2x5a s LYS 29 Cb 0.08 -2.19 -0.12 0.00 -0.52 0.00 0.00 37.83 35.08 2x5a s LYS 29 CO 0.15 -0.93 1.78 0.54 -0.92 0.00 0.00 175.35 175.97 2x5a n ARG 30 N -1.01 2.43 -1.55 1.68 1.74 -0.84 -4.75 116.66 114.36 2x5a n ARG 30 Ca 0.10 0.88 -0.31 0.00 -0.77 0.00 0.00 57.85 57.75 2x5a n ARG 30 Cb 0.48 -2.73 0.06 0.00 -1.02 0.00 0.00 32.46 29.25 2x5a n ARG 30 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2x5a s GLY 31 N 2.66 1.74 0.53 -0.13 0.00 -1.26 -4.87 107.32 106.00 2x5a s GLY 31 Ca 0.84 0.19 -0.22 0.00 0.00 0.00 0.00 44.72 45.54 2x5a s GLY 31 CO 0.42 0.51 1.32 1.08 0.00 0.00 0.00 173.10 176.43 2x5a s LEU 32 N -5.50 3.87 1.04 0.66 1.43 -0.34 -4.92 118.68 114.92 2x5a s LEU 32 Ca 0.60 2.68 -0.17 0.00 -1.03 0.00 0.00 54.13 56.20 2x5a s LEU 32 Cb -0.15 -4.28 0.23 0.00 0.03 0.00 0.00 46.19 42.02 2x5a s LEU 32 CO 0.53 -1.47 1.28 -2.16 0.23 0.00 0.00 176.35 174.75 2x5a s PRO 33 N -2.89 0.02 0.33 1.29 0.04 -1.26 -4.57 135.00 127.96 2x5a s PRO 33 Ca 0.71 -0.38 -0.17 0.00 0.04 0.00 0.00 61.00 61.20 2x5a s PRO 33 Cb -0.38 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 2x5a s PRO 33 CO 0.45 -2.83 0.77 0.96 0.04 0.00 0.00 177.00 176.39 2x5a s ILE 34 N -3.69 4.62 0.21 0.56 -5.25 -1.26 -5.01 121.20 111.38 2x5a s ILE 34 Ca 0.74 1.08 -0.32 0.00 -0.99 0.00 0.00 60.65 61.16 2x5a s ILE 34 Cb -0.04 -3.64 -0.11 0.00 2.95 0.00 0.00 42.46 41.61 2x5a s ILE 34 CO 0.54 -0.16 1.67 -2.84 -1.79 0.00 0.00 174.94 172.37 2x5a s PRO 35 N -2.89 4.14 0.56 0.37 0.02 -1.26 -4.87 135.00 131.07 2x5a s PRO 35 Ca 0.54 2.56 0.29 0.00 0.02 0.00 0.00 61.00 64.40 2x5a s PRO 35 Cb -0.11 -3.08 1.64 0.00 0.02 0.00 0.00 34.50 32.97 2x5a s PRO 35 CO 0.17 -0.71 2.16 1.57 -0.33 0.00 0.00 177.00 179.87 2x5a h LYS 36 N 6.51 0.00 -2.21 5.54 2.10 -1.40 -3.43 116.57 123.68 2x5a h LYS 36 Ca -0.43 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.17 2x5a h LYS 36 Cb 1.20 0.00 -0.22 0.00 -0.90 0.00 0.00 32.23 32.31 2x5a h LYS 36 CO 0.93 0.06 -0.02 0.00 -2.00 0.00 0.00 179.45 178.42 2x5a s ALA 37 N -4.39 -1.59 -0.27 0.07 0.00 -1.22 -5.08 121.76 109.28 2x5a s ALA 37 Ca -0.04 1.93 -0.13 0.00 0.00 0.00 0.00 51.96 53.72 2x5a s ALA 37 Cb 0.14 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 2x5a s ALA 37 CO 0.56 -0.32 0.29 0.50 0.00 0.00 0.00 175.76 176.80 2x5a s ARG 38 N 0.84 3.99 0.09 0.00 6.06 -1.26 -2.34 118.95 126.33 2x5a s ARG 38 Ca -0.04 -0.12 0.01 0.00 -2.50 0.00 0.00 55.73 53.08 2x5a s ARG 38 Cb -0.05 -3.65 -0.00 0.00 0.06 0.00 0.00 34.95 31.31 2x5a s ARG 38 CO -0.07 -0.22 0.03 0.00 -2.50 0.00 0.00 175.30 172.54 2x5a s GLN 40 N -2.35 1.01 -0.20 0.00 0.00 -1.26 -1.53 119.66 115.33 2x5a s GLN 40 Ca 0.04 -0.21 -0.21 0.00 -0.00 0.00 0.00 55.36 54.97 2x5a s GLN 40 Cb 0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 33.01 32.05 2x5a s GLN 40 CO 0.03 -0.01 0.64 0.54 0.00 0.00 0.00 175.29 176.49 2x5a s VAL 41 N 0.66 5.00 0.15 3.63 0.11 0.39 -3.20 120.40 127.15 2x5a s VAL 41 Ca -0.10 1.21 0.09 0.00 -2.93 0.00 0.00 61.98 60.25 2x5a s VAL 41 Cb -0.13 -3.96 -0.04 0.00 -1.53 0.00 0.00 36.38 30.72 2x5a s VAL 41 CO 0.01 0.09 -0.20 0.27 -3.33 0.00 0.00 175.10 171.95 2x5a s ILE 42 N 2.02 1.86 -0.87 7.04 -5.25 -0.92 -3.22 121.20 121.86 2x5a s ILE 42 Ca 0.29 -1.85 -0.05 0.00 -0.99 0.00 0.00 60.65 58.05 2x5a s ILE 42 Cb -0.16 -1.81 -0.00 0.00 2.95 0.00 0.00 42.46 43.44 2x5a s ILE 42 CO 0.10 -0.23 0.68 -3.20 -1.79 0.00 0.00 174.94 170.50 2x5a n ASN 43 N 0.47 -5.99 -4.48 4.36 2.85 -1.26 -1.96 115.26 109.24 2x5a n ASN 43 Ca -0.15 -0.67 -0.25 0.00 -0.11 0.00 0.00 54.58 53.41 2x5a n ASN 43 Cb 0.56 -3.35 -0.10 0.00 1.24 0.00 0.00 39.78 38.13 2x5a n ASN 43 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 2x5a s TYR 44 N -3.11 2.34 -0.31 1.20 -0.85 -1.26 -3.45 117.35 111.91 2x5a s TYR 44 Ca 0.12 -0.32 -0.03 0.00 -0.52 0.00 0.00 57.07 56.32 2x5a s TYR 44 Cb -0.04 -1.06 0.11 0.00 0.38 0.00 0.00 41.96 41.35 2x5a s TYR 44 CO 0.84 0.64 0.15 -2.00 -1.52 0.00 0.00 175.55 173.66 2x5a s GLU 45 N -3.27 0.33 -0.24 -3.49 2.12 -0.19 -4.10 118.70 109.85 2x5a s GLU 45 Ca 0.27 -0.79 -0.04 0.00 0.36 0.00 0.00 54.97 54.78 2x5a s GLU 45 Cb -0.06 -1.26 0.00 0.00 0.26 0.00 0.00 34.13 33.08 2x5a s GLU 45 CO 0.14 -1.07 -0.03 -0.51 -0.54 0.00 0.00 175.26 173.25 2x5a s LEU 46 N 1.78 3.11 -0.09 2.70 1.43 -0.79 -1.61 118.68 125.21 2x5a s LEU 46 Ca 0.12 -0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 52.50 2x5a s LEU 46 Cb -0.18 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 2x5a s LEU 46 CO -0.26 -0.07 0.43 0.26 0.23 0.00 0.00 176.35 176.94 2x5a s TRP 47 N 1.45 3.56 0.10 0.29 0.52 -1.26 -0.75 118.94 122.85 2x5a s TRP 47 Ca 0.04 0.87 -0.19 0.00 0.02 0.00 0.00 56.10 56.85 2x5a s TRP 47 Cb -0.15 -2.45 -0.07 0.00 -1.15 0.00 0.00 33.47 29.64 2x5a s TRP 47 CO -0.03 0.30 1.61 1.49 0.02 0.00 0.00 176.95 180.35 2x5a h GLU 48 N 6.19 0.38 0.00 4.98 4.81 -1.64 -3.39 114.58 125.90 2x5a h GLU 48 Ca -0.44 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 58.67 2x5a h GLU 48 Cb 1.19 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2x5a h GLU 48 CO 0.72 0.45 -1.16 0.25 -0.73 0.00 0.00 179.01 178.54 2x5a n THR 49 N -4.76 0.15 -2.51 0.32 -2.24 -1.26 -4.81 114.28 99.17 2x5a n THR 49 Ca -0.03 -0.10 -0.03 0.00 -2.27 0.00 0.00 64.05 61.62 2x5a n THR 49 Cb 0.15 -0.86 0.01 0.00 -2.10 0.00 0.00 70.33 67.54 2x5a n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x5a n GLY 50 N 2.83 0.59 0.21 3.38 0.00 -1.26 -4.85 105.19 106.08 2x5a n GLY 50 Ca -0.04 -0.49 -0.07 0.00 0.00 0.00 0.00 46.02 45.43 2x5a n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2x5a h TYR 51 N -0.37 0.56 0.00 1.61 3.20 -1.97 -3.42 116.97 116.58 2x5a h TYR 51 Ca -0.09 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.60 2x5a h TYR 51 Cb 1.05 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.21 2x5a h TYR 51 CO 0.07 0.85 -0.80 -0.11 -1.64 0.00 0.00 178.16 176.54 2x5a n LEU 52 N -3.98 0.05 -4.65 2.82 7.94 -1.26 -5.11 117.00 112.82 2x5a n LEU 52 Ca -0.02 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.62 2x5a n LEU 52 Cb 0.55 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.43 2x5a n LEU 52 CO 0.45 -0.09 -0.34 -0.31 -1.11 0.00 0.00 177.39 175.99 2x5a s TYR 53 N -2.00 2.77 -0.04 1.96 2.02 -1.26 -5.13 117.35 115.67 2x5a s TYR 53 Ca 0.00 -0.18 -0.12 0.00 -0.37 0.00 0.00 57.07 56.41 2x5a s TYR 53 Cb 0.00 -1.31 -0.05 0.00 -0.40 0.00 0.00 41.96 40.20 2x5a s TYR 53 CO 0.00 0.55 0.30 0.95 -1.57 0.00 0.00 175.55 175.78 2x5a s THR 54 N -1.92 5.22 0.70 -0.71 -4.23 -1.26 -4.62 115.64 108.81 2x5a s THR 54 Ca 0.28 0.58 -0.12 0.00 -1.18 0.00 0.00 61.69 61.26 2x5a s THR 54 Cb -0.08 -3.59 0.02 0.00 1.34 0.00 0.00 72.50 70.19 2x5a s THR 54 CO 0.19 0.59 1.07 -0.44 -0.54 0.00 0.00 174.62 175.49 2x5a s SER 55 N -1.08 5.13 -0.10 3.99 0.01 -0.19 -4.90 113.70 116.57 2x5a s SER 55 Ca 0.21 1.75 -0.10 0.00 1.31 0.00 0.00 55.95 59.12 2x5a s SER 55 Cb -0.15 -2.51 0.03 0.00 0.21 0.00 0.00 66.02 63.59 2x5a s SER 55 CO 0.10 -1.61 0.27 -0.94 0.41 0.00 0.00 173.24 171.47 2x5a s SER 56 N -3.40 -0.28 -0.21 2.44 1.04 -0.63 -0.06 113.70 112.60 2x5a s SER 56 Ca 0.61 0.52 -0.27 0.00 0.48 0.00 0.00 55.95 57.29 2x5a s SER 56 Cb -0.16 0.55 0.07 0.00 0.10 0.00 0.00 66.02 66.58 2x5a s SER 56 CO 0.51 -0.12 0.71 0.00 0.98 0.00 0.00 173.24 175.32 2x5a s ALA 57 N 0.05 -1.78 -0.37 5.32 0.00 -0.54 -1.02 121.76 123.43 2x5a s ALA 57 Ca -0.01 1.82 -0.15 0.00 0.00 0.00 0.00 51.96 53.62 2x5a s ALA 57 Cb -0.02 -0.84 -0.00 0.00 0.00 0.00 0.00 23.12 22.26 2x5a s ALA 57 CO 0.01 -0.35 0.36 0.99 0.00 0.00 0.00 175.76 176.77 2x5a s THR 58 N -0.08 5.17 -0.02 0.00 2.01 -0.83 -0.16 115.64 121.73 2x5a s THR 58 Ca -0.03 -0.13 -0.02 0.00 0.31 0.00 0.00 61.69 61.81 2x5a s THR 58 Cb -0.04 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 2x5a s THR 58 CO 0.04 -0.18 0.15 -0.76 -0.69 0.00 0.00 174.62 173.17 2x5a s LEU 59 N 1.99 4.22 0.15 4.42 1.43 -1.22 -2.16 118.68 127.51 2x5a s LEU 59 Ca 0.11 0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 53.36 2x5a s LEU 59 Cb -0.17 -2.45 0.03 0.00 0.03 0.00 0.00 46.19 43.63 2x5a s LEU 59 CO 0.12 0.28 1.73 0.71 0.23 0.00 0.00 176.35 179.42 2x5a h THR 60 N 3.07 1.19 -3.88 5.49 1.35 -1.92 -3.43 112.91 114.77 2x5a h THR 60 Ca -0.50 -0.55 -0.47 0.00 -0.55 0.00 0.00 66.41 64.35 2x5a h THR 60 Cb 1.19 0.68 -0.02 0.00 -1.73 0.00 0.00 68.15 68.27 2x5a h THR 60 CO 0.66 0.21 0.21 0.54 -0.25 0.00 0.00 175.52 176.89 2x5a s VAL 61 N -5.69 4.55 -1.30 6.82 0.11 -1.26 -4.98 120.40 118.65 2x5a s VAL 61 Ca -0.13 1.19 -0.18 0.00 -2.93 0.00 0.00 61.98 59.93 2x5a s VAL 61 Cb 0.11 -3.61 0.07 0.00 -1.53 0.00 0.00 36.38 31.42 2x5a s VAL 61 CO 0.76 -0.26 1.75 -1.54 -3.33 0.00 0.00 175.10 172.47 2x5a n SER 62 N -0.53 4.91 -4.76 3.54 3.41 -1.26 -4.99 113.62 113.94 2x5a n SER 62 Ca 0.05 -2.92 -0.33 0.00 -0.26 0.00 0.00 58.87 55.41 2x5a n SER 62 Cb 0.54 -1.75 0.05 0.00 -0.26 0.00 0.00 64.21 62.79 2x5a n SER 62 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2x5a s VAL 63 N 4.28 3.02 0.24 -3.33 -7.23 -1.26 -5.08 120.40 111.04 2x5a s VAL 63 Ca 0.54 0.50 0.08 0.00 -1.81 0.00 0.00 61.98 61.29 2x5a s VAL 63 Cb 0.04 -3.03 -0.05 0.00 0.56 0.00 0.00 36.38 33.90 2x5a s VAL 63 CO 0.08 -0.28 -0.13 -1.83 -0.31 0.00 0.00 175.10 172.63 2x5a s GLU 64 N -3.98 1.46 0.11 4.82 -1.05 -1.26 -4.95 118.70 113.86 2x5a s GLU 64 Ca 0.69 -1.68 -0.34 0.00 -0.15 0.00 0.00 54.97 53.49 2x5a s GLU 64 Cb -0.23 -1.26 -0.13 0.00 -0.44 0.00 0.00 34.13 32.07 2x5a s GLU 64 CO 0.41 0.17 1.67 0.28 0.95 0.00 0.00 175.26 178.74 2x5a n VAL 65 N -0.49 0.14 0.00 1.83 0.31 -1.26 -2.54 118.33 116.32 2x5a n VAL 65 Ca -0.07 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2x5a n VAL 65 Cb 0.61 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 2x5a n VAL 65 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2x5a n GLY 66 N 3.71 2.10 3.71 2.92 0.00 -0.76 -5.02 105.19 111.85 2x5a n GLY 66 Ca 0.18 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 2x5a n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2x5a n ASP 67 N 0.14 2.33 -4.70 1.61 8.00 -1.05 -3.63 116.55 119.26 2x5a n ASP 67 Ca 0.00 0.99 -0.36 0.00 0.71 0.00 0.00 54.79 56.13 2x5a n ASP 67 Cb 0.00 -1.52 -0.09 0.00 -0.02 0.00 0.00 41.12 39.49 2x5a n ASP 67 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2x5a s ILE 68 N -1.29 5.38 -0.25 0.53 -1.09 0.59 -1.18 121.20 123.88 2x5a s ILE 68 Ca 0.69 0.21 -0.05 0.00 -2.23 0.00 0.00 60.65 59.26 2x5a s ILE 68 Cb -0.45 -3.49 -0.01 0.00 -1.58 0.00 0.00 42.46 36.93 2x5a s ILE 68 CO 0.52 0.39 0.02 -0.69 -1.23 0.00 0.00 174.94 173.95 2x5a s VAL 69 N 0.72 3.76 -0.42 2.92 1.01 0.12 -1.32 120.40 127.18 2x5a s VAL 69 Ca 0.08 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 2x5a s VAL 69 Cb -0.12 -2.81 0.07 0.00 0.00 0.00 0.00 36.38 33.52 2x5a s VAL 69 CO 0.01 0.29 0.28 -1.58 0.00 0.00 0.00 175.10 174.10 2x5a s GLN 70 N 1.51 2.72 -0.20 2.72 0.74 -0.53 -1.24 119.66 125.39 2x5a s GLN 70 Ca 0.05 -1.37 -0.21 0.00 0.05 0.00 0.00 55.36 53.87 2x5a s GLN 70 Cb -0.15 -3.85 -0.02 0.00 1.10 0.00 0.00 33.01 30.08 2x5a s GLN 70 CO 0.00 -0.93 0.66 0.42 -0.55 0.00 0.00 175.29 174.89 2x5a s ILE 71 N 1.50 5.00 -0.08 -2.34 1.01 0.20 -0.81 121.20 125.68 2x5a s ILE 71 Ca 0.03 1.24 -0.07 0.00 0.00 0.00 0.00 60.65 61.85 2x5a s ILE 71 Cb -0.23 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 2x5a s ILE 71 CO 0.04 0.10 0.18 -0.76 0.00 0.00 0.00 174.94 174.50 2x5a s LEU 72 N 1.97 4.39 -0.04 2.97 1.43 0.45 -1.89 118.68 127.95 2x5a s LEU 72 Ca 0.30 0.51 0.03 0.00 -1.03 0.00 0.00 54.13 53.95 2x5a s LEU 72 Cb -0.16 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.82 2x5a s LEU 72 CO 0.10 0.37 -0.13 -0.36 0.23 0.00 0.00 176.35 176.56 2x5a s PHE 73 N -1.10 1.41 0.00 0.29 0.08 -1.19 -3.89 117.98 113.58 2x5a s PHE 73 Ca 0.19 -0.42 -0.01 0.00 0.12 0.00 0.00 56.93 56.80 2x5a s PHE 73 Cb -0.13 -0.98 -0.06 0.00 -0.57 0.00 0.00 43.02 41.28 2x5a s PHE 73 CO 0.08 -0.17 2.07 -0.35 -0.10 0.00 0.00 175.22 176.75 2x5a n PRO 74 N 3.35 1.07 -4.15 0.24 -0.04 -1.26 -4.47 135.00 129.73 2x5a n PRO 74 Ca -0.19 -0.22 -0.10 0.00 -0.04 0.00 0.00 63.50 62.95 2x5a n PRO 74 Cb 0.53 -1.29 -0.10 0.00 -0.04 0.00 0.00 33.50 32.60 2x5a n PRO 74 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2x5a s GLU 75 N 0.55 0.79 -0.04 0.54 -1.05 -1.26 -5.09 118.70 113.13 2x5a s GLU 75 Ca 0.14 -1.29 0.06 0.00 -0.15 0.00 0.00 54.97 53.74 2x5a s GLU 75 Cb 0.07 -0.16 -0.02 0.00 -0.44 0.00 0.00 34.13 33.58 2x5a s GLU 75 CO 0.00 -0.03 -0.22 0.14 0.95 0.00 0.00 175.26 176.10 2x5a s VAL 76 N -3.54 2.34 -0.25 1.83 -7.23 -1.26 -1.49 120.40 110.79 2x5a s VAL 76 Ca 0.10 -0.99 -0.07 0.00 -1.81 0.00 0.00 61.98 59.21 2x5a s VAL 76 Cb 0.05 -1.85 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 2x5a s VAL 76 CO -0.05 0.58 0.06 -0.69 -0.31 0.00 0.00 175.10 174.69 2x5a s VAL 77 N -0.48 4.25 -0.33 1.32 1.01 0.23 -4.88 120.40 121.52 2x5a s VAL 77 Ca 0.06 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.63 2x5a s VAL 77 Cb -0.11 -2.99 -0.00 0.00 0.00 0.00 0.00 36.38 33.28 2x5a s VAL 77 CO 0.01 0.34 0.68 -2.16 0.00 0.00 0.00 175.10 173.97 2x5a s PRO 78 N 1.61 3.81 -0.15 2.72 0.04 -1.26 -2.26 135.00 139.50 2x5a s PRO 78 Ca 0.06 0.26 -0.04 0.00 0.04 0.00 0.00 61.00 61.32 2x5a s PRO 78 Cb -0.15 -3.77 -0.03 0.00 0.04 0.00 0.00 34.50 30.59 2x5a s PRO 78 CO 0.03 -0.69 -0.03 0.96 0.04 0.00 0.00 177.00 177.32 2x5a s ILE 79 N 2.77 3.98 -0.61 0.56 -5.25 -1.19 -3.96 121.20 117.50 2x5a s ILE 79 Ca 0.27 -0.33 -0.22 0.00 -0.99 0.00 0.00 60.65 59.37 2x5a s ILE 79 Cb -0.14 -2.74 0.06 0.00 2.95 0.00 0.00 42.46 42.59 2x5a s ILE 79 CO 0.14 0.50 0.91 -0.70 -1.79 0.00 0.00 174.94 174.01 2x5a s GLU 80 N 0.21 3.17 0.09 0.37 2.12 -0.54 -2.21 118.70 121.91 2x5a s GLU 80 Ca -0.02 -0.70 0.14 0.00 0.36 0.00 0.00 54.97 54.75 2x5a s GLU 80 Cb -0.14 -4.17 -0.13 0.00 0.26 0.00 0.00 34.13 29.96 2x5a s GLU 80 CO 0.03 -1.66 0.97 1.05 -0.54 0.00 0.00 175.26 175.11 2x5a h GLU 81 N 9.43 0.00 -4.81 4.30 4.11 -1.77 -3.39 114.58 122.43 2x5a h GLU 81 Ca -0.28 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 58.89 2x5a h GLU 81 Cb 1.07 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.18 2x5a h GLU 81 CO 1.13 0.46 -0.70 0.00 0.07 0.00 0.00 179.01 179.97 2x5a s ALA 82 N -2.83 1.15 0.31 1.06 0.00 -1.12 -4.85 121.76 115.47 2x5a s ALA 82 Ca -0.01 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 50.57 2x5a s ALA 82 Cb 0.08 0.11 0.75 0.00 0.00 0.00 0.00 23.12 24.07 2x5a s ALA 82 CO 0.80 -0.18 1.57 1.25 0.00 0.00 0.00 175.76 179.21 2x5a h LEU 83 N 2.93 -0.48 0.00 0.00 7.12 -2.00 -2.20 115.31 120.68 2x5a h LEU 83 Ca -0.36 0.28 -0.08 0.00 0.13 0.00 0.00 57.88 57.85 2x5a h LEU 83 Cb 1.18 0.49 -0.02 0.00 -0.53 0.00 0.00 40.66 41.78 2x5a h LEU 83 CO 0.64 -0.35 -1.60 0.61 -0.13 0.00 0.00 178.44 177.61 2x5a n GLY 84 N -1.50 -0.51 3.71 3.75 0.00 -1.26 -4.86 105.19 104.53 2x5a n GLY 84 Ca 0.23 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2x5a n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x5a s LYS 85 N -2.55 4.50 0.04 1.61 2.20 -0.83 -5.05 119.74 119.67 2x5a s LYS 85 Ca -0.05 1.55 0.07 0.00 -0.36 0.00 0.00 55.97 57.19 2x5a s LYS 85 Cb 0.05 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 2x5a s LYS 85 CO 0.45 -0.14 -0.21 0.15 -0.36 0.00 0.00 175.35 175.23 2x5a s LYS 86 N 1.09 1.42 -0.02 4.03 1.02 -1.26 -2.29 119.74 123.73 2x5a s LYS 86 Ca 0.54 -0.95 0.05 0.00 0.02 0.00 0.00 55.97 55.63 2x5a s LYS 86 Cb -0.24 -1.53 -0.01 0.00 -0.52 0.00 0.00 37.83 35.53 2x5a s LYS 86 CO 0.28 0.39 -0.15 -1.59 -0.92 0.00 0.00 175.35 173.36 2x5a s LYS 87 N -1.17 1.29 -0.80 1.68 -2.85 -0.94 -4.98 119.74 111.98 2x5a s LYS 87 Ca 0.08 -0.55 -0.25 0.00 -1.00 0.00 0.00 55.97 54.25 2x5a s LYS 87 Cb -0.09 -1.23 -0.02 0.00 -2.06 0.00 0.00 37.83 34.43 2x5a s LYS 87 CO 0.02 0.31 1.79 0.15 0.10 0.00 0.00 175.35 177.72 2x5a s LYS 88 N -0.30 2.77 -0.25 1.78 -0.14 -1.26 -3.18 119.74 119.16 2x5a s LYS 88 Ca 0.05 -0.07 -0.10 0.00 -1.36 0.00 0.00 55.97 54.48 2x5a s LYS 88 Cb -0.07 -4.77 -0.05 0.00 -1.68 0.00 0.00 37.83 31.26 2x5a s LYS 88 CO -0.00 -2.88 0.15 -1.17 -0.76 0.00 0.00 175.35 170.68 2x5a s LEU 89 N 8.66 3.94 0.27 3.17 1.98 -0.96 -5.00 118.68 130.73 2x5a s LEU 89 Ca 0.62 0.01 -0.29 0.00 -2.89 0.00 0.00 54.13 51.58 2x5a s LEU 89 Cb -0.08 -2.07 -0.09 0.00 0.66 0.00 0.00 46.19 44.61 2x5a s LEU 89 CO 0.07 0.01 1.15 0.20 -1.89 0.00 0.00 176.35 175.89 2x5a s ASN 90 N 1.36 7.17 0.00 3.68 0.01 -1.26 0.75 114.94 126.65 2x5a s ASN 90 Ca 0.07 2.32 -0.30 0.00 -0.71 0.00 0.00 52.86 54.23 2x5a s ASN 90 Cb -0.15 -2.63 -0.07 0.00 0.41 0.00 0.00 41.25 38.82 2x5a s ASN 90 CO 0.06 -0.24 1.63 -0.22 -1.51 0.00 0.00 177.10 176.82 2x5a s LEU 91 N -1.23 4.34 0.03 0.60 2.96 -0.56 -4.77 118.68 120.06 2x5a s LEU 91 Ca 0.47 2.33 0.01 0.00 -0.22 0.00 0.00 54.13 56.72 2x5a s LEU 91 Cb -0.33 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 42.79 2x5a s LEU 91 CO 0.42 -0.89 -0.05 -1.81 -1.32 0.00 0.00 176.35 172.70 2x5a s ASP 92 N 2.84 0.57 -0.33 3.68 -0.00 -1.26 -3.20 116.67 118.97 2x5a s ASP 92 Ca 0.73 -0.46 0.00 0.00 -0.00 0.00 0.00 52.55 52.83 2x5a s ASP 92 Cb -0.36 0.05 0.10 0.00 -0.00 0.00 0.00 42.92 42.71 2x5a s ASP 92 CO 0.31 -0.20 0.10 -0.04 -0.00 0.00 0.00 175.17 175.34 2x5a s MET 93 N -1.30 0.89 -0.25 8.23 -1.94 -0.80 -4.87 119.30 119.26 2x5a s MET 93 Ca -0.10 -1.29 -0.10 0.00 -1.71 0.00 0.00 55.69 52.49 2x5a s MET 93 Cb -0.09 -2.23 -0.05 0.00 2.01 0.00 0.00 34.83 34.48 2x5a s MET 93 CO -0.00 -0.99 0.15 0.08 -0.01 0.00 0.00 175.02 174.25 2x5a s VAL 94 N 1.39 5.17 0.16 -6.03 1.01 -1.26 -0.62 120.40 120.21 2x5a s VAL 94 Ca 0.11 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.24 2x5a s VAL 94 Cb -0.18 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 2x5a s VAL 94 CO -0.20 0.32 -0.06 -0.31 0.00 0.00 0.00 175.10 174.85 2x5a s TYR 95 N 1.29 1.24 -0.12 5.22 2.02 -0.37 -2.48 117.35 124.14 2x5a s TYR 95 Ca 0.07 -0.86 -0.02 0.00 -0.37 0.00 0.00 57.07 55.88 2x5a s TYR 95 Cb -0.14 -0.67 -0.03 0.00 -0.40 0.00 0.00 41.96 40.71 2x5a s TYR 95 CO 0.06 -0.03 -0.03 -1.17 -1.57 0.00 0.00 175.55 172.81 2x5a s LEU 96 N -3.17 3.36 -0.23 -1.29 2.96 0.27 -0.70 118.68 119.88 2x5a s LEU 96 Ca 0.19 -0.01 -0.29 0.00 -0.22 0.00 0.00 54.13 53.80 2x5a s LEU 96 Cb 0.04 -1.78 -0.00 0.00 0.50 0.00 0.00 46.19 44.95 2x5a s LEU 96 CO 0.02 0.27 1.21 -0.69 -1.32 0.00 0.00 176.35 175.84 2x5a s VAL 97 N -0.26 4.35 -0.16 1.68 1.01 -0.33 -1.55 120.40 125.14 2x5a s VAL 97 Ca 0.05 1.59 0.04 0.00 0.00 0.00 0.00 61.98 63.66 2x5a s VAL 97 Cb -0.13 -4.15 -0.23 0.00 0.00 0.00 0.00 36.38 31.88 2x5a s VAL 97 CO 0.02 -0.28 0.18 0.35 0.00 0.00 0.00 175.10 175.38 2x5a n THR 98 N 5.65 1.60 -3.64 3.92 -2.24 -0.30 -1.83 114.28 117.44 2x5a n THR 98 Ca 0.14 -0.69 -0.11 0.00 -2.27 0.00 0.00 64.05 61.12 2x5a n THR 98 Cb 0.46 -1.30 -0.07 0.00 -2.10 0.00 0.00 70.33 67.32 2x5a n THR 98 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2x5a s ASP 99 N -6.45 -0.63 -0.10 3.42 3.68 -1.23 -4.89 116.67 110.47 2x5a s ASP 99 Ca -0.21 1.17 0.03 0.00 2.13 0.00 0.00 52.55 55.68 2x5a s ASP 99 Cb 0.07 1.20 -0.00 0.00 -1.45 0.00 0.00 42.92 42.74 2x5a s ASP 99 CO 0.74 -0.20 -0.22 -0.69 0.13 0.00 0.00 175.17 174.93 2x5a s VAL 100 N 0.49 2.28 0.02 1.11 1.01 -1.26 0.01 120.40 124.06 2x5a s VAL 100 Ca -0.00 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.03 2x5a s VAL 100 Cb -0.05 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.45 2x5a s VAL 100 CO -0.05 0.55 0.03 -0.90 0.00 0.00 0.00 175.10 174.74 2x5a n ASP 101 N 3.46 0.04 -0.30 3.32 3.85 -1.10 -4.96 116.55 120.86 2x5a n ASP 101 Ca -0.19 -1.03 -0.05 0.00 -0.71 0.00 0.00 54.79 52.81 2x5a n ASP 101 Cb 0.53 -0.02 0.07 0.00 -1.35 0.00 0.00 41.12 40.35 2x5a n ASP 101 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 2x5a h GLU 102 N 0.00 1.17 -0.74 0.11 3.07 -2.01 -2.87 114.58 113.30 2x5a h GLU 102 Ca -0.01 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 2x5a h GLU 102 Cb 0.04 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 27.73 2x5a h GLU 102 CO 0.01 0.89 0.00 -1.13 -1.40 0.00 0.00 179.01 177.38 2x5a n SER 103 N -4.35 1.59 -1.95 1.42 3.41 -1.26 -4.90 113.62 107.58 2x5a n SER 103 Ca 0.08 -2.13 -0.18 0.00 -0.26 0.00 0.00 58.87 56.38 2x5a n SER 103 Cb 0.13 -0.43 -0.04 0.00 -0.26 0.00 0.00 64.21 63.60 2x5a n SER 103 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2x5a n ASN 104 N 0.06 -5.00 -4.57 4.04 5.15 -1.08 -4.93 115.26 108.92 2x5a n ASN 104 Ca 0.05 0.26 -0.43 0.00 -0.60 0.00 0.00 54.58 53.86 2x5a n ASN 104 Cb 0.35 -4.33 -0.04 0.00 -0.53 0.00 0.00 39.78 35.23 2x5a n ASN 104 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2x5a s LYS 105 N -4.26 3.59 -0.07 1.20 2.20 -1.26 -3.37 119.74 117.77 2x5a s LYS 105 Ca 0.00 0.27 -0.18 0.00 -0.36 0.00 0.00 55.97 55.69 2x5a s LYS 105 Cb 0.00 -3.91 -0.05 0.00 -1.51 0.00 0.00 37.83 32.36 2x5a s LYS 105 CO 0.00 -1.23 0.51 0.00 -0.36 0.00 0.00 175.35 174.27 2x5a s ALA 106 N 3.86 3.51 -0.40 3.13 0.00 0.78 -2.69 121.76 129.95 2x5a s ALA 106 Ca 0.39 -0.12 -0.23 0.00 0.00 0.00 0.00 51.96 52.00 2x5a s ALA 106 Cb -0.10 -2.64 0.02 0.00 0.00 0.00 0.00 23.12 20.40 2x5a s ALA 106 CO 0.27 0.12 0.77 0.99 0.00 0.00 0.00 175.76 177.91 2x5a s THR 107 N 0.14 4.71 -0.21 0.00 2.01 0.10 -1.46 115.64 120.93 2x5a s THR 107 Ca 0.27 0.68 -0.09 0.00 0.31 0.00 0.00 61.69 62.86 2x5a s THR 107 Cb -0.16 -4.25 -0.05 0.00 0.01 0.00 0.00 72.50 68.05 2x5a s THR 107 CO 0.13 -0.54 0.12 -0.76 -0.69 0.00 0.00 174.62 172.88 2x5a s LEU 108 N 3.15 4.04 -0.16 4.42 1.43 0.91 -1.16 118.68 131.32 2x5a s LEU 108 Ca 0.30 0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 53.51 2x5a s LEU 108 Cb -0.13 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 2x5a s LEU 108 CO 0.19 0.13 -0.06 -0.75 0.23 0.00 0.00 176.35 176.09 2x5a s LYS 109 N 0.66 3.58 0.00 1.70 2.20 -0.60 -1.02 119.74 126.26 2x5a s LYS 109 Ca 0.07 -0.57 -0.35 0.00 -0.36 0.00 0.00 55.97 54.76 2x5a s LYS 109 Cb -0.12 -2.86 -0.14 0.00 -1.51 0.00 0.00 37.83 33.20 2x5a s LYS 109 CO 0.01 0.19 1.69 0.09 -0.36 0.00 0.00 175.35 176.98 2x5a n ASN 110 N 3.65 3.00 -0.34 1.43 4.13 -1.26 -0.56 115.26 125.30 2x5a n ASN 110 Ca -0.18 1.04 0.17 0.00 1.68 0.00 0.00 54.58 57.30 2x5a n ASN 110 Cb 0.52 -1.35 0.34 0.00 -1.54 0.00 0.00 39.78 37.75 2x5a n ASN 110 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2x5a h TYR 111 N 7.25 0.07 0.33 3.10 3.20 -1.80 -2.63 116.97 126.48 2x5a h TYR 111 Ca -0.47 0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.45 2x5a h TYR 111 Cb 1.28 0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.69 2x5a h TYR 111 CO 0.74 -0.45 -0.16 0.35 -1.64 0.00 0.00 178.16 177.00 2x5a h PHE 112 N 0.00 -0.41 0.00 -3.82 3.57 -1.90 -1.73 116.94 112.65 2x5a h PHE 112 Ca 0.64 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 62.10 2x5a h PHE 112 Cb 1.39 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 40.26 2x5a h PHE 112 CO -0.44 -0.22 -0.15 -1.49 -2.23 0.00 0.00 178.31 173.78 2x5a h TRP 113 N -0.49 0.00 0.00 0.41 4.06 -1.83 -1.69 115.95 116.42 2x5a h TRP 113 Ca -0.05 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.90 2x5a h TRP 113 Cb 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.53 2x5a h TRP 113 CO -0.04 0.15 -0.32 0.00 -3.56 0.00 0.00 178.44 174.67 2x5a h ALA 114 N 1.85 0.80 0.08 1.49 0.00 -1.38 -3.31 119.26 118.80 2x5a h ALA 114 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2x5a h ALA 114 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2x5a h ALA 114 CO 0.02 0.00 -1.43 1.98 0.00 0.00 0.00 179.25 179.82 2x5a h MET 115 N 0.00 0.18 -0.76 0.00 -1.53 -0.45 -3.36 114.93 109.00 2x5a h MET 115 Ca 0.00 -0.30 0.00 0.00 -3.44 0.00 0.00 59.70 55.96 2x5a h MET 115 Cb 0.80 0.11 0.00 0.00 -0.55 0.00 0.00 31.60 31.96 2x5a h MET 115 CO 0.00 1.14 0.00 0.44 0.14 0.00 0.00 176.91 178.63 2x5a n ILE 116 N -4.00 0.28 -2.20 1.77 -5.35 -0.75 -3.44 119.36 105.68 2x5a n ILE 116 Ca -0.28 -0.15 -0.40 0.00 -0.27 0.00 0.00 62.75 61.65 2x5a n ILE 116 Cb 0.86 -0.35 -0.02 0.00 -1.74 0.00 0.00 39.64 38.38 2x5a n ILE 116 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2x5a s GLU 117 N -1.36 4.38 0.00 6.28 2.02 -1.24 -3.57 118.70 125.21 2x5a s GLU 117 Ca 0.06 2.10 0.00 0.00 0.02 0.00 0.00 54.97 57.16 2x5a s GLU 117 Cb 0.04 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.21 2x5a s GLU 117 CO 0.02 -0.12 0.00 0.43 0.02 0.00 0.00 175.26 175.61 2x5a n SER 118 N 0.81 -1.27 -4.70 -0.19 7.64 -1.26 -4.76 113.62 109.89 2x5a n SER 118 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 2x5a n SER 118 Cb 0.43 -2.26 -0.03 0.00 -1.01 0.00 0.00 64.21 61.34 2x5a n SER 118 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2x5a s LEU 119 N 0.00 4.30 0.03 -3.43 2.96 -1.23 -4.99 118.68 116.31 2x5a s LEU 119 Ca 0.00 1.48 0.04 0.00 -0.22 0.00 0.00 54.13 55.43 2x5a s LEU 119 Cb 0.00 -3.44 -0.04 0.00 0.50 0.00 0.00 46.19 43.21 2x5a s LEU 119 CO 0.00 -0.31 -0.05 -1.81 -1.32 0.00 0.00 176.35 172.86 2x5a s ASP 120 N 1.02 4.73 -0.10 3.68 1.01 -1.26 -0.06 116.67 125.69 2x5a s ASP 120 Ca 0.47 -0.16 -0.00 0.00 0.71 0.00 0.00 52.55 53.56 2x5a s ASP 120 Cb -0.19 -1.10 0.02 0.00 1.01 0.00 0.00 42.92 42.66 2x5a s ASP 120 CO 0.21 0.25 -0.07 0.54 0.21 0.00 0.00 175.17 176.31 2x5a s VAL 121 N -1.09 0.95 0.85 -1.27 0.11 0.84 -4.85 120.40 115.94 2x5a s VAL 121 Ca 0.19 -0.26 -0.12 0.00 -2.93 0.00 0.00 61.98 58.87 2x5a s VAL 121 Cb -0.11 -0.97 0.10 0.00 -1.53 0.00 0.00 36.38 33.87 2x5a s VAL 121 CO 0.11 0.35 1.12 -2.16 -3.33 0.00 0.00 175.10 171.19 2x5a s PRO 122 N 1.58 1.61 0.54 1.54 0.04 -1.26 -1.99 135.00 137.06 2x5a s PRO 122 Ca 0.02 0.45 0.23 0.00 0.04 0.00 0.00 61.00 61.74 2x5a s PRO 122 Cb -0.13 -1.88 1.49 0.00 0.04 0.00 0.00 34.50 34.02 2x5a s PRO 122 CO -0.06 -1.91 2.15 -0.97 0.04 0.00 0.00 177.00 176.25 2x5a h ASN 123 N -1.29 0.00 -0.87 6.66 -1.24 -1.81 -2.98 115.58 114.06 2x5a h ASN 123 Ca -0.49 0.00 0.09 0.00 0.71 0.00 0.00 56.30 56.61 2x5a h ASN 123 Cb 1.30 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 40.29 2x5a h ASN 123 CO 0.61 0.05 0.56 0.00 -1.29 0.00 0.00 177.43 177.36 2x5a h ALA 124 N 1.95 1.65 0.04 1.57 0.00 -1.93 -2.10 119.26 120.44 2x5a h ALA 124 Ca -0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 2x5a h ALA 124 Cb 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2x5a h ALA 124 CO 0.01 0.18 -1.01 0.82 0.00 0.00 0.00 179.25 179.24 2x5a h ILE 125 N 0.86 1.49 0.00 0.00 2.04 -1.91 -3.24 117.51 116.75 2x5a h ILE 125 Ca 0.40 -2.75 0.00 0.00 1.00 0.00 0.00 64.86 63.50 2x5a h ILE 125 Cb 0.39 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 2x5a h ILE 125 CO -0.16 0.81 0.00 0.35 0.00 0.00 0.00 178.15 179.14 2x5a n THR 126 N -3.63 0.82 0.08 -0.27 -2.24 -0.81 -3.36 114.28 104.88 2x5a n THR 126 Ca -0.06 0.21 -0.03 0.00 -2.27 0.00 0.00 64.05 61.90 2x5a n THR 126 Cb 0.89 -0.92 0.18 0.00 -2.10 0.00 0.00 70.33 68.38 2x5a n THR 126 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2x5a h LYS 127 N 0.00 0.26 0.00 -0.78 1.57 -1.53 -3.44 116.57 112.65 2x5a h LYS 127 Ca 0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2x5a h LYS 127 Cb 0.27 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2x5a h LYS 127 CO 0.00 0.68 0.00 0.25 -0.57 0.00 0.00 179.45 179.81 2x5a n THR 128 N -3.98 0.00 -1.22 -0.16 -2.24 -1.21 -4.89 114.28 100.58 2x5a n THR 128 Ca -0.02 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.47 2x5a n THR 128 Cb 0.52 -1.70 0.14 0.00 -2.10 0.00 0.00 70.33 67.20 2x5a n THR 128 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2x5a s THR 129 N -0.31 2.55 0.48 4.28 -4.23 -1.26 -3.81 115.64 113.33 2x5a s THR 129 Ca 0.00 0.18 0.29 0.00 -1.18 0.00 0.00 61.69 60.98 2x5a s THR 129 Cb 0.00 -2.69 0.32 0.00 1.34 0.00 0.00 72.50 71.48 2x5a s THR 129 CO 0.00 -0.24 2.15 0.78 -0.54 0.00 0.00 174.62 176.77 2x5a h ASN 130 N -1.59 0.00 -0.76 3.99 2.35 -1.71 -2.75 115.58 115.11 2x5a h ASN 130 Ca -0.50 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.19 2x5a h ASN 130 Cb 1.29 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.63 2x5a h ASN 130 CO 0.56 0.07 0.26 0.15 -1.65 0.00 0.00 177.43 176.82 2x5a h PHE 131 N 0.00 1.20 -0.38 1.19 3.57 -1.89 -2.44 116.94 118.20 2x5a h PHE 131 Ca -0.00 -0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.32 2x5a h PHE 131 Cb 0.21 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 2x5a h PHE 131 CO 0.00 0.93 -0.07 0.00 -2.23 0.00 0.00 178.31 176.94 2x5a h ALA 132 N 1.15 1.17 -0.14 2.41 0.00 -1.86 -0.83 119.26 121.16 2x5a h ALA 132 Ca 0.25 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 2x5a h ALA 132 Cb 0.28 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2x5a h ALA 132 CO -0.01 0.53 -0.49 0.82 0.00 0.00 0.00 179.25 180.10 2x5a h ILE 133 N 0.59 1.34 -0.58 0.00 2.04 -1.59 -2.40 117.51 116.91 2x5a h ILE 133 Ca 0.11 -1.77 -0.03 0.00 1.00 0.00 0.00 64.86 64.17 2x5a h ILE 133 Cb 0.48 2.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 2x5a h ILE 133 CO 0.03 0.54 0.23 0.40 0.00 0.00 0.00 178.15 179.35 2x5a h ILE 134 N 0.22 1.23 0.00 -0.67 1.08 -1.33 0.21 117.51 118.24 2x5a h ILE 134 Ca -0.02 -0.70 -0.05 0.00 -0.39 0.00 0.00 64.86 63.70 2x5a h ILE 134 Cb 1.12 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 35.47 2x5a h ILE 134 CO 0.10 0.27 -0.24 -0.78 -0.69 0.00 0.00 178.15 176.81 2x5a h ASP 135 N 0.79 0.00 0.04 1.72 3.58 -1.17 -1.28 116.42 120.10 2x5a h ASP 135 Ca 0.19 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 2x5a h ASP 135 Cb 0.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 2x5a h ASP 135 CO -0.02 0.24 -0.02 0.22 -2.88 0.00 0.00 179.24 176.79 2x5a h TYR 136 N 0.00 -0.05 -0.77 0.28 3.20 -1.02 -3.37 116.97 115.24 2x5a h TYR 136 Ca -0.00 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.96 2x5a h TYR 136 Cb 0.49 0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.70 2x5a h TYR 136 CO 0.00 0.50 0.42 -0.07 -1.64 0.00 0.00 178.16 177.37 2x5a h LEU 137 N -0.95 0.58 -8.13 2.82 4.07 -0.88 -3.35 115.31 109.47 2x5a h LEU 137 Ca -0.01 0.05 -0.72 0.00 0.08 0.00 0.00 57.88 57.28 2x5a h LEU 137 Cb 0.58 -0.06 -0.21 0.00 1.08 0.00 0.00 40.66 42.05 2x5a h LEU 137 CO 0.01 0.33 0.02 -0.63 -1.08 0.00 0.00 178.44 177.09 2x5a s ILE 138 N -6.05 4.97 -0.28 1.22 1.09 -0.49 -4.85 121.20 116.81 2x5a s ILE 138 Ca -0.12 -1.22 -0.04 0.00 -1.10 0.00 0.00 60.65 58.17 2x5a s ILE 138 Cb 0.19 -4.45 0.15 0.00 -1.06 0.00 0.00 42.46 37.29 2x5a s ILE 138 CO 0.77 -1.05 0.55 -0.62 -0.10 0.00 0.00 174.94 174.50 2x5a s ASP 139 N 3.58 -0.92 0.00 3.58 2.15 -1.26 -4.75 116.67 119.05 2x5a s ASP 139 Ca 0.09 0.97 0.12 0.00 0.43 0.00 0.00 52.55 54.16 2x5a s ASP 139 Cb -0.25 1.94 0.56 0.00 -0.30 0.00 0.00 42.92 44.87 2x5a s ASP 139 CO 0.04 -0.25 1.29 -0.81 -0.17 0.00 0.00 175.17 175.27 2x5a n PRO 140 N 5.42 0.13 0.13 4.34 -0.04 -1.26 -1.92 135.00 141.80 2x5a n PRO 140 Ca -0.05 0.20 0.06 0.00 -0.04 0.00 0.00 63.50 63.67 2x5a n PRO 140 Cb 0.50 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.50 2x5a n PRO 140 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2x5a h ASN 141 N 0.00 0.00 0.00 3.54 2.35 -1.95 -3.39 115.58 116.13 2x5a h ASN 141 Ca 0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.49 2x5a h ASN 141 Cb 0.13 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 2x5a h ASN 141 CO 0.00 0.31 -1.93 0.29 -1.65 0.00 0.00 177.43 174.45 2x5a n LYS 142 N -3.04 0.38 -1.47 0.81 5.02 -0.99 -5.07 118.16 113.80 2x5a n LYS 142 Ca -0.00 0.13 -0.37 0.00 -2.02 0.00 0.00 58.31 56.05 2x5a n LYS 142 Cb 0.68 -1.21 0.06 0.00 -0.02 0.00 0.00 35.03 34.54 2x5a n LYS 142 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2x5a n ASN 143 N -3.38 0.08 0.18 4.39 3.02 -0.81 -4.95 115.26 113.79 2x5a n ASN 143 Ca -0.31 0.72 0.04 0.00 -0.03 0.00 0.00 54.58 55.00 2x5a n ASN 143 Cb 0.77 -1.33 0.30 0.00 -0.61 0.00 0.00 39.78 38.91 2x5a n ASN 143 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2x5a h ASN 144 N 0.09 0.00 -3.63 6.41 2.35 -1.85 -3.46 115.58 115.49 2x5a h ASN 144 Ca -0.47 0.00 -0.67 0.00 -0.55 0.00 0.00 56.30 54.60 2x5a h ASN 144 Cb 1.36 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 39.52 2x5a h ASN 144 CO 0.48 0.42 -0.85 -0.76 -1.65 0.00 0.00 177.43 175.07 2x5a s LEU 145 N -7.19 2.37 0.40 1.61 1.43 -1.26 -4.50 118.68 111.53 2x5a s LEU 145 Ca -0.00 -0.80 -0.25 0.00 -1.03 0.00 0.00 54.13 52.05 2x5a s LEU 145 Cb 0.11 -1.19 -0.08 0.00 0.03 0.00 0.00 46.19 45.06 2x5a s LEU 145 CO 0.70 0.15 1.18 -0.32 0.23 0.00 0.00 176.35 178.29 2x5a s MET 146 N -2.30 4.04 -0.13 1.70 -2.45 -0.62 -4.79 119.30 114.76 2x5a s MET 146 Ca 0.16 1.85 -0.07 0.00 -1.25 0.00 0.00 55.69 56.38 2x5a s MET 146 Cb -0.09 -2.67 0.05 0.00 1.25 0.00 0.00 34.83 33.37 2x5a s MET 146 CO 0.07 -0.33 0.32 -1.54 1.05 0.00 0.00 175.02 174.59 2x5a s SER 147 N -1.12 -0.37 -0.65 1.11 1.04 -1.26 -5.00 113.70 107.44 2x5a s SER 147 Ca 0.57 0.68 -0.00 0.00 0.48 0.00 0.00 55.95 57.68 2x5a s SER 147 Cb -0.31 0.57 0.41 0.00 0.10 0.00 0.00 66.02 66.79 2x5a s SER 147 CO 0.39 -0.17 1.82 -1.22 0.98 0.00 0.00 173.24 175.03 2x5a n TYR 148 N 4.19 3.11 0.00 5.02 4.01 -0.09 -4.47 117.16 128.92 2x5a n TYR 148 Ca -0.24 -2.69 0.00 0.00 -0.16 0.00 0.00 57.90 54.81 2x5a n TYR 148 Cb 0.54 -1.06 0.00 0.00 -0.31 0.00 0.00 39.34 38.51 2x5a n TYR 148 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x5a n GLY 149 N -0.71 -0.46 3.93 2.72 0.00 -1.26 -4.79 105.19 104.62 2x5a n GLY 149 Ca 0.55 -1.43 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 2x5a n GLY 149 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2x5a s TYR 150 N -2.17 3.49 -0.23 1.61 -0.85 -1.26 -3.41 117.35 114.53 2x5a s TYR 150 Ca 0.00 0.36 -0.03 0.00 -0.52 0.00 0.00 57.07 56.88 2x5a s TYR 150 Cb 0.00 -1.89 0.01 0.00 0.38 0.00 0.00 41.96 40.46 2x5a s TYR 150 CO 0.00 0.23 -0.07 -0.06 -1.52 0.00 0.00 175.55 174.14 2x5a s PHE 151 N -2.12 2.98 -0.02 -3.49 0.08 0.18 -4.91 117.98 110.67 2x5a s PHE 151 Ca 0.40 -1.25 0.01 0.00 0.12 0.00 0.00 56.93 56.21 2x5a s PHE 151 Cb -0.10 -2.07 0.01 0.00 -0.57 0.00 0.00 43.02 40.29 2x5a s PHE 151 CO 0.32 -0.65 -0.04 -0.59 -0.10 0.00 0.00 175.22 174.17 2x5a s PHE 152 N 1.40 0.49 -0.44 0.36 -0.00 -1.26 0.23 117.98 118.76 2x5a s PHE 152 Ca 0.04 -0.09 -0.29 0.00 -0.00 0.00 0.00 56.93 56.59 2x5a s PHE 152 Cb -0.15 -0.39 0.01 0.00 -0.00 0.00 0.00 43.02 42.49 2x5a s PHE 152 CO -0.05 -0.07 1.37 1.21 -0.00 0.00 0.00 175.22 177.68 2x5a s ASN 153 N 0.31 6.35 0.25 1.98 3.84 -0.64 -4.93 114.94 122.10 2x5a s ASN 153 Ca -0.03 0.69 -0.05 0.00 0.21 0.00 0.00 52.86 53.68 2x5a s ASN 153 Cb -0.07 -2.54 0.34 0.00 -0.55 0.00 0.00 41.25 38.43 2x5a s ASN 153 CO -0.00 -1.44 1.86 0.28 -2.79 0.00 0.00 177.10 175.00 2x5a h SER 154 N 10.52 0.90 -0.88 -4.21 0.02 -1.91 -3.20 113.55 114.78 2x5a h SER 154 Ca -0.27 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 60.75 2x5a h SER 154 Cb 1.10 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 63.40 2x5a h SER 154 CO 1.11 0.58 0.56 0.77 -1.14 0.00 0.00 176.83 178.70 2x5a h SER 155 N 1.03 0.90 0.58 3.07 4.64 -1.92 -1.16 113.55 120.69 2x5a h SER 155 Ca 0.39 0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.54 2x5a h SER 155 Cb 0.15 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2x5a h SER 155 CO -0.17 0.59 -0.77 0.16 -0.87 0.00 0.00 176.83 175.77 2x5a h ILE 156 N 1.04 1.48 -0.46 0.95 3.07 -1.89 -3.24 117.51 118.46 2x5a h ILE 156 Ca 0.37 -2.45 0.00 0.00 1.55 0.00 0.00 64.86 64.34 2x5a h ILE 156 Cb 0.11 2.33 0.00 0.00 -0.27 0.00 0.00 36.82 38.99 2x5a h ILE 156 CO -0.15 0.71 0.00 0.49 -1.05 0.00 0.00 178.15 178.15 2x5a n PHE 157 N -3.71 1.41 -0.01 0.16 3.72 -1.13 -4.55 117.46 113.35 2x5a n PHE 157 Ca -0.02 -0.74 -0.14 0.00 -0.05 0.00 0.00 57.45 56.50 2x5a n PHE 157 Cb 0.74 -0.34 -0.02 0.00 -0.94 0.00 0.00 39.48 38.91 2x5a n PHE 157 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2x5a h ALA 158 N 3.06 0.45 -2.28 4.37 0.00 -1.24 -3.32 119.26 120.30 2x5a h ALA 158 Ca 0.00 -0.58 -0.52 0.00 0.00 0.00 0.00 54.91 53.81 2x5a h ALA 158 Cb 1.57 -0.04 0.20 0.00 0.00 0.00 0.00 17.79 19.52 2x5a h ALA 158 CO 0.30 0.71 0.18 0.41 0.00 0.00 0.00 179.25 180.84 2x5a n GLY 159 N 0.56 -0.46 3.76 0.00 0.00 -1.26 -4.81 105.19 102.98 2x5a n GLY 159 Ca -0.06 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 2x5a n GLY 159 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x5a s LYS 160 N -4.55 4.48 0.54 1.61 2.36 -1.26 -3.61 119.74 119.30 2x5a s LYS 160 Ca 0.67 2.01 -0.22 0.00 -2.55 0.00 0.00 55.97 55.88 2x5a s LYS 160 Cb -0.23 -3.15 -0.05 0.00 -1.05 0.00 0.00 37.83 33.35 2x5a s LYS 160 CO 0.58 -0.04 1.34 0.00 1.55 0.00 0.00 175.35 178.78 2x5a s ALA 161 N -0.88 2.84 0.40 3.13 0.00 -1.25 -4.88 121.76 121.12 2x5a s ALA 161 Ca 0.49 1.29 -0.27 0.00 0.00 0.00 0.00 51.96 53.47 2x5a s ALA 161 Cb -0.36 -3.55 -0.10 0.00 0.00 0.00 0.00 23.12 19.12 2x5a s ALA 161 CO 0.45 -1.30 1.42 0.95 0.00 0.00 0.00 175.76 177.28 2x5a s THR 162 N -1.33 2.21 0.06 0.00 -4.23 -1.26 -4.97 115.64 106.12 2x5a s THR 162 Ca 0.71 0.20 -0.31 0.00 -1.18 0.00 0.00 61.69 61.11 2x5a s THR 162 Cb -0.39 -3.12 -0.06 0.00 1.34 0.00 0.00 72.50 70.27 2x5a s THR 162 CO 0.46 0.04 1.25 0.27 -0.54 0.00 0.00 174.62 176.11 2x5a s ILE 163 N -1.17 3.86 0.45 2.99 -4.36 -1.26 -5.00 121.20 116.70 2x5a s ILE 163 Ca 0.55 1.33 -0.23 0.00 -0.26 0.00 0.00 60.65 62.04 2x5a s ILE 163 Cb -0.44 -3.85 -0.08 0.00 1.25 0.00 0.00 42.46 39.34 2x5a s ILE 163 CO 0.58 0.09 1.11 0.20 0.24 0.00 0.00 174.94 177.16 2x5a s ASN 164 N 1.14 6.37 -0.06 4.36 -0.87 -1.26 -5.03 114.94 119.59 2x5a s ASN 164 Ca 0.60 2.15 -0.30 0.00 -1.57 0.00 0.00 52.86 53.75 2x5a s ASN 164 Cb -0.31 -2.59 -0.02 0.00 -0.02 0.00 0.00 41.25 38.31 2x5a s ASN 164 CO 0.29 -0.77 1.01 0.00 -2.57 0.00 0.00 177.10 175.06 2x5a s ARG 165 N -2.74 4.47 0.00 -0.60 1.70 -1.26 -3.64 118.95 116.88 2x5a s ARG 165 Ca 0.63 1.43 0.00 0.00 -0.47 0.00 0.00 55.73 57.32 2x5a s ARG 165 Cb -0.24 -3.50 0.00 0.00 -0.57 0.00 0.00 34.95 30.63 2x5a s ARG 165 CO 0.30 -0.22 0.00 1.63 -1.08 0.00 0.00 175.30 175.93 2x5a n LYS 166 N 4.55 -0.29 -3.77 3.89 5.02 -1.26 -3.46 118.16 122.84 2x5a n LYS 166 Ca 0.08 0.07 -0.29 0.00 -2.02 0.00 0.00 58.31 56.15 2x5a n LYS 166 Cb 0.49 -4.18 0.03 0.00 -0.02 0.00 0.00 35.03 31.35 2x5a n LYS 166 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2x5a n ALA 167 N 1.00 -1.23 -2.43 7.82 0.00 -1.24 -5.00 120.51 119.44 2x5a n ALA 167 Ca 0.00 0.21 -0.21 0.00 0.00 0.00 0.00 53.44 53.44 2x5a n ALA 167 Cb 0.07 -4.34 0.12 0.00 0.00 0.00 0.00 19.45 15.30 2x5a n ALA 167 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2x5a n GLU 168 N -4.56 -0.27 -2.88 0.00 1.02 -1.22 -4.60 120.64 108.13 2x5a n GLU 168 Ca 0.03 -2.34 -0.42 0.00 -0.02 0.00 0.00 57.16 54.40 2x5a n GLU 168 Cb 0.53 -0.73 -0.04 0.00 -0.02 0.00 0.00 31.44 31.18 2x5a n GLU 168 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2x5a s THR 169 N -2.94 4.66 0.25 2.62 2.01 -1.26 -3.67 115.64 117.31 2x5a s THR 169 Ca 0.62 1.08 0.07 0.00 0.31 0.00 0.00 61.69 63.77 2x5a s THR 169 Cb -0.03 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 2x5a s THR 169 CO 0.41 -0.46 0.19 -0.44 -0.69 0.00 0.00 174.62 173.63 2x5a s SER 170 N 1.83 5.51 0.54 3.53 0.01 -0.84 -4.93 113.70 119.35 2x5a s SER 170 Ca 0.35 -0.25 -0.09 0.00 1.31 0.00 0.00 55.95 57.27 2x5a s SER 170 Cb -0.13 -1.40 -0.04 0.00 0.21 0.00 0.00 66.02 64.66 2x5a s SER 170 CO 0.17 -0.03 0.92 -0.94 0.41 0.00 0.00 173.24 173.77 2x5a s SER 171 N -3.79 6.29 0.49 2.44 1.04 -1.26 -0.11 113.70 118.79 2x5a s SER 171 Ca 0.33 1.22 0.15 0.00 0.48 0.00 0.00 55.95 58.13 2x5a s SER 171 Cb -0.08 -2.38 1.14 0.00 0.10 0.00 0.00 66.02 64.81 2x5a s SER 171 CO 0.25 -0.71 2.08 0.00 0.98 0.00 0.00 173.24 175.84 2x5a h ALA 172 N 0.08 1.87 0.05 5.32 0.00 -0.72 -2.51 119.26 123.34 2x5a h ALA 172 Ca -0.46 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 2x5a h ALA 172 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2x5a h ALA 172 CO 0.62 0.10 -0.02 1.25 0.00 0.00 0.00 179.25 181.20 2x5a h HIS 173 N 0.03 -0.06 -0.78 0.00 -0.00 -1.81 -2.45 115.15 110.08 2x5a h HIS 173 Ca 0.01 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.33 2x5a h HIS 173 Cb 0.12 0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 27.52 2x5a h HIS 173 CO 0.00 0.33 0.32 -0.44 -0.00 0.00 0.00 177.93 178.15 2x5a h ASP 174 N -0.46 1.06 -0.21 3.26 5.19 -1.90 -1.79 116.42 121.57 2x5a h ASP 174 Ca -0.01 -0.17 -0.11 0.00 -0.62 0.00 0.00 57.03 56.13 2x5a h ASP 174 Cb 0.41 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.65 2x5a h ASP 174 CO 0.01 0.94 -0.31 -0.37 -3.12 0.00 0.00 179.24 176.39 2x5a h VAL 175 N 1.12 1.33 -0.17 -1.35 -1.51 -1.54 -2.13 116.25 111.99 2x5a h VAL 175 Ca 0.26 -1.51 0.01 0.00 -1.23 0.00 0.00 66.70 64.23 2x5a h VAL 175 Cb 0.20 1.79 -0.01 0.00 -2.13 0.00 0.00 31.29 31.13 2x5a h VAL 175 CO -0.02 0.47 0.09 0.00 -1.23 0.00 0.00 177.57 176.87 2x5a h ALA 176 N 0.63 0.21 -0.75 5.19 0.00 -1.38 0.11 119.26 123.26 2x5a h ALA 176 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2x5a h ALA 176 Cb 0.89 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 2x5a h ALA 176 CO 0.07 -0.34 0.45 0.87 0.00 0.00 0.00 179.25 180.30 2x5a h LYS 177 N 0.19 0.81 -0.52 0.00 1.57 -1.36 0.43 116.57 117.69 2x5a h LYS 177 Ca 0.07 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 2x5a h LYS 177 Cb 0.01 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 2x5a h LYS 177 CO -0.05 0.54 -0.15 -0.09 -0.57 0.00 0.00 179.45 179.13 2x5a h ARG 178 N 0.84 1.01 0.06 3.15 2.43 -0.95 -2.49 114.38 118.43 2x5a h ARG 178 Ca 0.33 -0.40 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2x5a h ARG 178 Cb 0.15 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2x5a h ARG 178 CO -0.16 1.09 -0.03 0.82 -1.51 0.00 0.00 179.97 180.17 2x5a h ILE 179 N 0.88 1.26 -0.00 1.20 2.04 -0.22 -3.20 117.51 119.47 2x5a h ILE 179 Ca 0.13 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.75 2x5a h ILE 179 Cb 0.73 2.04 -0.00 0.00 -0.74 0.00 0.00 36.82 38.85 2x5a h ILE 179 CO 0.06 0.30 0.00 -0.26 0.00 0.00 0.00 178.15 178.25 2x5a h PHE 180 N -0.65 0.00 0.05 1.37 0.04 -0.21 -1.06 116.94 116.48 2x5a h PHE 180 Ca -0.01 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.55 2x5a h PHE 180 Cb 0.55 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.72 2x5a h PHE 180 CO 0.11 0.00 -0.86 0.77 -0.60 0.00 0.00 178.31 177.72 2x5a h SER 181 N 0.00 0.67 0.00 2.17 0.02 -1.48 -2.52 113.55 112.41 2x5a h SER 181 Ca 0.00 -0.80 -0.14 0.00 -0.84 0.00 0.00 61.79 60.01 2x5a h SER 181 Cb 0.01 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.35 2x5a h SER 181 CO -0.00 1.40 -0.53 0.50 -1.14 0.00 0.00 176.83 177.06 2x5a h LYS 182 N 0.03 0.36 0.00 3.45 1.63 -1.40 -3.28 116.57 117.36 2x5a h LYS 182 Ca -0.12 -0.39 0.00 0.00 -0.85 0.00 0.00 60.65 59.29 2x5a h LYS 182 Cb 1.57 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 33.32 2x5a h LYS 182 CO 0.17 1.07 0.00 -0.39 -3.45 0.00 0.00 179.45 176.85 2x5a h VAL 183 N -0.20 0.00 -5.71 2.00 -1.51 -1.37 -3.47 116.25 105.99 2x5a h VAL 183 Ca -0.07 -0.46 -0.35 0.00 -1.23 0.00 0.00 66.70 64.60 2x5a h VAL 183 Cb 1.26 1.36 0.16 0.00 -2.13 0.00 0.00 31.29 31.93 2x5a h VAL 183 CO 0.10 0.00 -0.77 0.00 -1.23 0.00 0.00 177.57 175.68 2x5a n GLN 184 N -2.64 -6.60 -4.07 5.19 6.02 -0.98 -5.02 117.38 109.28 2x5a n GLN 184 Ca 0.02 0.83 -0.07 0.00 -0.01 0.00 0.00 57.00 57.77 2x5a n GLN 184 Cb 0.32 -5.81 -0.10 0.00 1.02 0.00 0.00 30.24 25.67 2x5a n GLN 184 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2x5a s PHE 185 N -3.38 0.47 0.00 1.08 5.36 -1.03 -4.78 117.98 115.71 2x5a s PHE 185 Ca 0.06 -0.97 0.01 0.00 -0.96 0.00 0.00 56.93 55.08 2x5a s PHE 185 Cb -0.03 -0.35 -0.01 0.00 -0.34 0.00 0.00 43.02 42.30 2x5a s PHE 185 CO 0.74 -0.34 -0.04 -0.65 -1.46 0.00 0.00 175.22 173.46 2x5a s GLN 186 N -3.44 0.34 0.28 10.12 -1.52 -1.26 -4.64 119.66 119.53 2x5a s GLN 186 Ca 0.03 -0.23 -0.17 0.00 -1.95 0.00 0.00 55.36 53.04 2x5a s GLN 186 Cb 0.05 -0.28 -0.09 0.00 -0.22 0.00 0.00 33.01 32.46 2x5a s GLN 186 CO -0.08 0.07 0.74 -1.25 -0.25 0.00 0.00 175.29 174.52 2x5a s PRO 187 N -0.32 4.12 -0.16 2.91 0.04 -1.26 -4.86 135.00 135.47 2x5a s PRO 187 Ca -0.01 0.77 -0.01 0.00 0.04 0.00 0.00 61.00 61.79 2x5a s PRO 187 Cb -0.03 -2.61 0.04 0.00 0.04 0.00 0.00 34.50 31.94 2x5a s PRO 187 CO -0.00 0.25 -0.03 0.95 0.04 0.00 0.00 177.00 178.21 2x5a s THR 188 N -1.79 0.93 0.13 1.26 -4.23 -1.01 -4.61 115.64 106.32 2x5a s THR 188 Ca 0.50 -0.51 -0.28 0.00 -1.18 0.00 0.00 61.69 60.21 2x5a s THR 188 Cb -0.13 -1.15 -0.07 0.00 1.34 0.00 0.00 72.50 72.50 2x5a s THR 188 CO 0.19 0.11 0.90 -0.89 -0.54 0.00 0.00 174.62 174.38 2x5a s THR 189 N 1.71 4.44 -0.00 3.99 2.01 -1.26 -0.33 115.64 126.20 2x5a s THR 189 Ca 0.01 1.95 0.00 0.00 0.31 0.00 0.00 61.69 63.96 2x5a s THR 189 Cb -0.15 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.10 2x5a s THR 189 CO -0.07 0.39 -0.00 0.28 -0.69 0.00 0.00 174.62 174.52 2x5a s THR 190 N -0.38 0.02 -0.23 -0.82 -1.32 -0.07 -4.18 115.64 108.67 2x5a s THR 190 Ca 0.43 0.01 -0.12 0.00 -1.21 0.00 0.00 61.69 60.80 2x5a s THR 190 Cb -0.23 -0.04 -0.05 0.00 -1.51 0.00 0.00 72.50 70.67 2x5a s THR 190 CO 0.29 0.02 0.21 -0.63 -2.21 0.00 0.00 174.62 172.29 2x5a s ILE 191 N 0.13 5.33 -0.15 5.08 1.01 -1.26 -1.09 121.20 130.25 2x5a s ILE 191 Ca -0.01 0.29 -0.19 0.00 0.00 0.00 0.00 60.65 60.74 2x5a s ILE 191 Cb -0.02 -3.54 0.05 0.00 0.01 0.00 0.00 42.46 38.96 2x5a s ILE 191 CO -0.00 0.34 0.51 -1.10 0.00 0.00 0.00 174.94 174.68 2x5a s GLN 192 N 1.01 0.68 0.40 2.79 -1.52 0.24 -4.91 119.66 118.34 2x5a s GLN 192 Ca 0.10 0.52 -0.27 0.00 -1.95 0.00 0.00 55.36 53.76 2x5a s GLN 192 Cb -0.13 0.32 -0.10 0.00 -0.22 0.00 0.00 33.01 32.88 2x5a s GLN 192 CO 0.04 -0.12 1.41 -1.58 -0.25 0.00 0.00 175.29 174.79 2x5a s HIS 193 N -0.17 2.65 0.25 0.91 5.65 -1.26 -1.50 115.29 121.83 2x5a s HIS 193 Ca -0.04 1.28 -0.28 0.00 0.25 0.00 0.00 55.06 56.27 2x5a s HIS 193 Cb -0.03 -3.88 -0.15 0.00 -1.18 0.00 0.00 32.58 27.34 2x5a s HIS 193 CO 0.03 -2.65 0.82 0.00 -0.65 0.00 0.00 174.74 172.28 2x5a n ALA 194 N 0.24 -1.30 -0.15 1.58 0.00 -0.84 -4.83 120.51 115.20 2x5a n ALA 194 Ca 0.03 0.41 -0.04 0.00 0.00 0.00 0.00 53.44 53.83 2x5a n ALA 194 Cb 0.41 -1.86 0.05 0.00 0.00 0.00 0.00 19.45 18.05 2x5a n ALA 194 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2x5a h PRO 195 N 1.61 0.42 -6.65 0.00 0.13 -1.92 -3.42 132.00 122.17 2x5a h PRO 195 Ca -0.35 -0.03 -0.52 0.00 -0.87 0.00 0.00 66.00 64.23 2x5a h PRO 195 Cb 1.38 -0.10 0.03 0.00 0.13 0.00 0.00 31.00 32.44 2x5a h PRO 195 CO 0.59 0.28 0.62 -1.54 -0.23 0.00 0.00 178.00 177.72 2x5a s SER 196 N -5.45 6.97 0.47 1.44 1.04 -1.26 -4.94 113.70 111.96 2x5a s SER 196 Ca -0.13 2.31 0.20 0.00 0.48 0.00 0.00 55.95 58.82 2x5a s SER 196 Cb 0.14 -2.61 1.16 0.00 0.10 0.00 0.00 66.02 64.81 2x5a s SER 196 CO 0.73 -0.47 2.00 -0.33 0.98 0.00 0.00 173.24 176.14 2x5a h GLU 197 N 5.48 0.00 -0.35 4.02 5.08 -2.02 -2.95 114.58 123.84 2x5a h GLU 197 Ca -0.44 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.85 2x5a h GLU 197 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2x5a h GLU 197 CO 0.77 0.19 -0.05 1.79 -1.00 0.00 0.00 179.01 180.70 2x5a h THR 198 N 0.00 1.27 -2.99 1.13 1.35 -1.95 -3.42 112.91 108.31 2x5a h THR 198 Ca -0.00 -1.08 -0.57 0.00 -0.55 0.00 0.00 66.41 64.21 2x5a h THR 198 Cb 0.39 1.27 -0.04 0.00 -1.73 0.00 0.00 68.15 68.04 2x5a h THR 198 CO 0.02 0.36 1.06 -0.62 -0.25 0.00 0.00 175.52 176.09 2x5a s ASP 199 N -6.22 6.49 0.00 5.36 2.15 -1.12 -4.60 116.67 118.73 2x5a s ASP 199 Ca -0.13 1.34 0.27 0.00 0.43 0.00 0.00 52.55 54.46 2x5a s ASP 199 Cb 0.09 -2.54 0.92 0.00 -0.30 0.00 0.00 42.92 41.10 2x5a s ASP 199 CO 0.79 -1.21 1.67 -0.81 -0.17 0.00 0.00 175.17 175.44 2x5a n PRO 200 N 7.57 1.75 -1.68 4.34 -0.04 -1.26 -4.66 135.00 141.02 2x5a n PRO 200 Ca 0.17 -1.09 -0.35 0.00 -0.04 0.00 0.00 63.50 62.19 2x5a n PRO 200 Cb 0.46 -1.47 0.07 0.00 -0.04 0.00 0.00 33.50 32.52 2x5a n PRO 200 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2x5a s ARG 201 N -1.96 2.50 -0.22 0.54 0.52 -1.26 -4.91 118.95 114.16 2x5a s ARG 201 Ca 0.36 1.81 -0.07 0.00 -0.52 0.00 0.00 55.73 57.32 2x5a s ARG 201 Cb 0.20 -1.87 -0.03 0.00 0.52 0.00 0.00 34.95 33.77 2x5a s ARG 201 CO 0.32 -1.57 0.05 1.21 0.02 0.00 0.00 175.30 175.33 2x5a s ASN 202 N -1.83 5.18 0.22 0.23 2.47 -1.26 -1.99 114.94 117.97 2x5a s ASN 202 Ca 0.76 -0.13 0.11 0.00 0.42 0.00 0.00 52.86 54.02 2x5a s ASN 202 Cb -0.30 -1.91 -0.05 0.00 -1.45 0.00 0.00 41.25 37.54 2x5a s ASN 202 CO 0.40 0.05 -0.20 -0.76 -3.72 0.00 0.00 177.10 172.87 2x5a s LEU 203 N 1.12 2.51 -0.20 3.21 1.43 -0.56 -1.20 118.68 124.97 2x5a s LEU 203 Ca 0.04 -0.94 -0.04 0.00 -1.03 0.00 0.00 54.13 52.16 2x5a s LEU 203 Cb -0.14 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.04 2x5a s LEU 203 CO 0.03 0.03 -0.03 -0.22 0.23 0.00 0.00 176.35 176.38 2x5a s LEU 204 N -3.05 3.03 0.09 1.79 0.20 -1.26 -0.59 118.68 118.89 2x5a s LEU 204 Ca 0.23 -0.30 0.09 0.00 0.69 0.00 0.00 54.13 54.84 2x5a s LEU 204 Cb -0.06 -1.76 -0.03 0.00 -0.43 0.00 0.00 46.19 43.91 2x5a s LEU 204 CO 0.11 0.03 -0.22 -0.36 -0.29 0.00 0.00 176.35 175.62 2x5a s PHE 205 N 1.16 1.93 -0.10 5.38 0.08 -0.25 -0.92 117.98 125.26 2x5a s PHE 205 Ca 0.02 -0.40 -0.13 0.00 0.12 0.00 0.00 56.93 56.54 2x5a s PHE 205 Cb -0.15 -1.08 -0.05 0.00 -0.57 0.00 0.00 43.02 41.17 2x5a s PHE 205 CO -0.00 0.20 0.32 0.42 -0.10 0.00 0.00 175.22 176.06 2x5a s ILE 206 N -1.03 5.24 -0.20 0.64 -1.09 -1.22 -0.89 121.20 122.64 2x5a s ILE 206 Ca 0.08 0.62 -0.07 0.00 -2.23 0.00 0.00 60.65 59.05 2x5a s ILE 206 Cb -0.10 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 2x5a s ILE 206 CO 0.04 0.48 0.06 0.20 -1.23 0.00 0.00 174.94 174.49 2x5a s ASN 207 N -0.25 5.41 -0.14 3.58 0.01 0.56 -0.65 114.94 123.45 2x5a s ASN 207 Ca 0.19 -0.03 0.18 0.00 -0.71 0.00 0.00 52.86 52.49 2x5a s ASN 207 Cb -0.14 -1.94 0.44 0.00 0.41 0.00 0.00 41.25 40.02 2x5a s ASN 207 CO 0.07 0.10 1.18 0.49 -1.51 0.00 0.00 177.10 177.44 2x5a n PHE 208 N 4.02 0.50 -4.34 2.20 3.72 0.14 -2.40 117.46 121.29 2x5a n PHE 208 Ca -0.16 -1.28 -0.26 0.00 -0.05 0.00 0.00 57.45 55.69 2x5a n PHE 208 Cb 0.52 -0.22 -0.10 0.00 -0.94 0.00 0.00 39.48 38.74 2x5a n PHE 208 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2x5a s ALA 209 N -2.10 2.85 0.24 4.37 0.00 -1.24 -1.62 121.76 124.27 2x5a s ALA 209 Ca 0.37 -1.58 0.08 0.00 0.00 0.00 0.00 51.96 50.83 2x5a s ALA 209 Cb 0.38 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.85 2x5a s ALA 209 CO -0.09 0.42 -0.12 -1.54 0.00 0.00 0.00 175.76 174.42 2x5a s SER 210 N -2.96 2.72 0.60 0.00 1.04 -1.26 -4.89 113.70 108.95 2x5a s SER 210 Ca 0.25 -1.08 0.31 0.00 0.48 0.00 0.00 55.95 55.91 2x5a s SER 210 Cb -0.08 -0.16 1.82 0.00 0.10 0.00 0.00 66.02 67.70 2x5a s SER 210 CO 0.14 -0.21 2.21 0.08 0.98 0.00 0.00 173.24 176.45 2x5a h ARG 211 N 2.44 0.00 -5.07 4.02 0.11 -1.92 -1.42 114.38 112.54 2x5a h ARG 211 Ca -0.39 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.06 2x5a h ARG 211 Cb 1.23 0.00 -0.34 0.00 1.11 0.00 0.00 29.97 31.97 2x5a h ARG 211 CO 0.64 0.00 -0.86 -0.80 0.10 0.00 0.00 179.97 179.05 2x5a s ASN 212 N -5.92 2.76 0.11 0.08 0.01 -1.26 -4.62 114.94 106.10 2x5a s ASN 212 Ca -0.05 -0.50 -0.16 0.00 -0.71 0.00 0.00 52.86 51.44 2x5a s ASN 212 Cb 0.15 -1.26 -0.04 0.00 0.41 0.00 0.00 41.25 40.50 2x5a s ASN 212 CO 0.53 0.10 1.57 -0.25 -1.51 0.00 0.00 177.10 177.54 2x5a h TRP 213 N 7.01 0.63 -3.65 2.20 2.91 -1.87 -3.33 115.95 119.85 2x5a h TRP 213 Ca -0.26 -0.10 -0.75 0.00 1.13 0.00 0.00 58.89 58.91 2x5a h TRP 213 Cb 1.21 -0.17 -0.30 0.00 -0.51 0.00 0.00 29.16 29.39 2x5a h TRP 213 CO 0.47 0.67 -0.02 -0.80 -1.03 0.00 0.00 178.44 177.74 2x5a s ASN 214 N -6.04 6.28 0.21 2.65 0.01 -1.26 -4.83 114.94 111.96 2x5a s ASN 214 Ca -0.13 -2.99 -0.32 0.00 -0.71 0.00 0.00 52.86 48.70 2x5a s ASN 214 Cb 0.09 -2.07 -0.14 0.00 0.41 0.00 0.00 41.25 39.54 2x5a s ASN 214 CO 0.77 -0.42 1.38 0.54 -1.51 0.00 0.00 177.10 177.85 2x5a n ARG 215 N 3.45 1.83 -4.25 -0.60 1.74 -1.25 -5.03 116.66 112.55 2x5a n ARG 215 Ca 0.14 0.65 -0.30 0.00 -0.77 0.00 0.00 57.85 57.57 2x5a n ARG 215 Cb 0.42 -2.29 -0.09 0.00 -1.02 0.00 0.00 32.46 29.47 2x5a n ARG 215 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2x5a s LYS 216 N -0.16 2.37 -0.20 5.56 1.02 -1.26 -5.04 119.74 122.02 2x5a s LYS 216 Ca 0.72 -0.89 -0.17 0.00 0.02 0.00 0.00 55.97 55.64 2x5a s LYS 216 Cb -0.71 -2.43 -0.03 0.00 -0.52 0.00 0.00 37.83 34.14 2x5a s LYS 216 CO 0.48 0.54 0.47 0.50 -0.92 0.00 0.00 175.35 176.42 2x5a s ARG 217 N -2.06 4.17 -0.04 1.68 3.52 -1.26 -4.25 118.95 120.70 2x5a s ARG 217 Ca 0.22 0.33 -0.06 0.00 -0.13 0.00 0.00 55.73 56.09 2x5a s ARG 217 Cb -0.11 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.67 2x5a s ARG 217 CO 0.14 -0.12 0.20 0.42 -0.81 0.00 0.00 175.30 175.13 2x5a s ILE 218 N 1.56 5.41 -0.23 4.11 1.09 -0.57 -4.97 121.20 127.60 2x5a s ILE 218 Ca 0.22 0.11 -0.01 0.00 -1.10 0.00 0.00 60.65 59.86 2x5a s ILE 218 Cb -0.15 -3.51 0.02 0.00 -1.06 0.00 0.00 42.46 37.76 2x5a s ILE 218 CO 0.09 0.45 -0.09 0.28 -0.10 0.00 0.00 174.94 175.58 2x5a s THR 219 N -1.20 2.81 0.32 2.92 -1.32 -1.26 0.28 115.64 118.18 2x5a s THR 219 Ca 0.23 -0.91 0.03 0.00 -1.21 0.00 0.00 61.69 59.83 2x5a s THR 219 Cb -0.13 -2.35 -0.04 0.00 -1.51 0.00 0.00 72.50 68.47 2x5a s THR 219 CO 0.13 0.31 0.15 0.28 -2.21 0.00 0.00 174.62 173.27 2x5a s THR 220 N 1.35 0.43 -0.03 5.08 -1.32 0.55 -4.97 115.64 116.73 2x5a s THR 220 Ca 0.02 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 58.57 2x5a s THR 220 Cb -0.15 -2.52 -0.01 0.00 -1.51 0.00 0.00 72.50 68.30 2x5a s THR 220 CO -0.06 0.00 -0.24 -0.60 -2.21 0.00 0.00 174.62 171.51 2x5a s ARG 221 N -3.82 2.14 -0.26 7.08 3.52 -1.26 -1.00 118.95 125.35 2x5a s ARG 221 Ca 0.34 -0.85 -0.02 0.00 -0.13 0.00 0.00 55.73 55.07 2x5a s ARG 221 Cb 0.05 -1.95 0.03 0.00 -1.56 0.00 0.00 34.95 31.52 2x5a s ARG 221 CO 0.17 0.45 -0.05 0.08 -0.81 0.00 0.00 175.30 175.14 2x5a s VAL 222 N -0.37 2.90 0.39 7.11 1.01 -0.44 -4.89 120.40 126.10 2x5a s VAL 222 Ca 0.04 -1.11 -0.13 0.00 0.00 0.00 0.00 61.98 60.78 2x5a s VAL 222 Cb -0.11 -2.52 -0.08 0.00 0.00 0.00 0.00 36.38 33.68 2x5a s VAL 222 CO 0.01 0.13 0.78 -0.62 0.00 0.00 0.00 175.10 175.40 2x5a s ASP 223 N 1.31 6.63 0.60 3.32 -1.08 -1.26 -4.50 116.67 121.68 2x5a s ASP 223 Ca -0.01 1.24 0.33 0.00 -0.52 0.00 0.00 52.55 53.58 2x5a s ASP 223 Cb -0.17 -2.36 1.89 0.00 -1.46 0.00 0.00 42.92 40.82 2x5a s ASP 223 CO -0.04 -0.35 2.25 -0.29 0.52 0.00 0.00 175.17 177.26 2x5a h ILE 224 N 1.39 0.42 0.00 4.11 6.09 -1.99 -2.35 117.51 125.18 2x5a h ILE 224 Ca -0.47 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 62.93 2x5a h ILE 224 Cb 1.18 1.06 0.00 0.00 0.47 0.00 0.00 36.82 39.53 2x5a h ILE 224 CO 0.64 0.02 0.00 0.07 -3.07 0.00 0.00 178.15 175.81 2x5a h LYS 225 N 0.00 0.00 -0.00 2.19 2.10 -2.02 -2.55 116.57 116.29 2x5a h LYS 225 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2x5a h LYS 225 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 2x5a h LYS 225 CO 0.00 0.00 0.00 1.04 -2.00 0.00 0.00 179.45 178.49 2x5a n GLN 226 N -2.84 1.00 -3.54 0.07 6.02 -0.88 -4.91 117.38 112.29 2x5a n GLN 226 Ca -0.01 -0.01 -0.21 0.00 -0.01 0.00 0.00 57.00 56.77 2x5a n GLN 226 Cb 0.16 -1.02 0.05 0.00 1.02 0.00 0.00 30.24 30.45 2x5a n GLN 226 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2x5a n SER 227 N -0.52 -3.16 -4.76 1.08 7.64 -0.96 -0.59 113.62 112.35 2x5a n SER 227 Ca 0.01 -0.78 -0.41 0.00 1.01 0.00 0.00 58.87 58.70 2x5a n SER 227 Cb 0.01 -4.44 -0.02 0.00 -1.01 0.00 0.00 64.21 58.75 2x5a n SER 227 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2x5a s VAL 228 N -3.51 2.45 -0.47 0.44 1.01 -1.26 -4.62 120.40 114.44 2x5a s VAL 228 Ca 0.17 0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.58 2x5a s VAL 228 Cb -0.04 -3.27 0.13 0.00 0.00 0.00 0.00 36.38 33.20 2x5a s VAL 228 CO 0.79 0.09 0.24 -0.89 0.00 0.00 0.00 175.10 175.32 2x5a s THR 229 N -0.66 2.95 -0.26 3.92 2.01 0.53 -4.96 115.64 119.17 2x5a s THR 229 Ca 0.55 -2.69 -0.20 0.00 0.31 0.00 0.00 61.69 59.66 2x5a s THR 229 Cb -0.43 -3.03 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 2x5a s THR 229 CO 0.52 -0.74 0.61 -0.32 -0.69 0.00 0.00 174.62 174.00 2x5a s MET 230 N 0.40 4.07 0.16 4.92 1.75 -1.26 -2.43 119.30 126.92 2x5a s MET 230 Ca 0.13 0.47 -0.05 0.00 -1.25 0.00 0.00 55.69 55.00 2x5a s MET 230 Cb -0.22 -3.66 -0.03 0.00 2.84 0.00 0.00 34.83 33.76 2x5a s MET 230 CO -0.04 -0.42 0.18 0.16 -0.65 0.00 0.00 175.02 174.25 2x5a s ASP 231 N 1.51 0.16 -0.10 1.11 -4.77 -0.82 -5.01 116.67 108.75 2x5a s ASP 231 Ca 0.25 -1.08 0.03 0.00 -3.30 0.00 0.00 52.55 48.45 2x5a s ASP 231 Cb -0.15 0.38 -0.01 0.00 -1.09 0.00 0.00 42.92 42.04 2x5a s ASP 231 CO 0.09 -0.83 -0.18 0.42 0.70 0.00 0.00 175.17 175.36 2x5a s THR 232 N -4.03 2.61 0.28 2.11 -4.23 -1.26 -0.20 115.64 110.92 2x5a s THR 232 Ca 0.23 -0.84 0.11 0.00 -1.18 0.00 0.00 61.69 60.01 2x5a s THR 232 Cb 0.05 -2.04 -0.05 0.00 1.34 0.00 0.00 72.50 71.81 2x5a s THR 232 CO 0.03 0.55 -0.13 -0.70 -0.54 0.00 0.00 174.62 173.83 2x5a s GLU 233 N 0.12 1.87 -0.18 3.99 2.12 0.21 -4.96 118.70 121.88 2x5a s GLU 233 Ca -0.09 -1.68 0.01 0.00 0.36 0.00 0.00 54.97 53.57 2x5a s GLU 233 Cb -0.15 -1.88 0.03 0.00 0.26 0.00 0.00 34.13 32.38 2x5a s GLU 233 CO 0.06 0.33 -0.14 0.95 -0.54 0.00 0.00 175.26 175.91 2x5a s THR 234 N -2.46 1.73 -0.02 -1.70 -4.23 -1.26 -0.58 115.64 107.13 2x5a s THR 234 Ca 0.31 -0.89 -0.22 0.00 -1.18 0.00 0.00 61.69 59.70 2x5a s THR 234 Cb -0.05 -1.69 -0.15 0.00 1.34 0.00 0.00 72.50 71.95 2x5a s THR 234 CO 0.17 0.34 1.02 0.40 -0.54 0.00 0.00 174.62 176.01 2x5a h ILE 235 N 6.20 0.61 -2.94 2.99 2.04 -1.95 -3.45 117.51 121.01 2x5a h ILE 235 Ca -0.35 -0.76 -0.64 0.00 1.00 0.00 0.00 64.86 64.10 2x5a h ILE 235 Cb 1.12 0.95 -0.10 0.00 -0.74 0.00 0.00 36.82 38.05 2x5a h ILE 235 CO 0.53 0.13 -0.50 -0.69 0.00 0.00 0.00 178.15 177.62 2x5a s VAL 236 N -4.05 5.34 -0.70 1.67 1.01 -1.26 -5.00 120.40 117.41 2x5a s VAL 236 Ca -0.13 0.15 -0.24 0.00 0.00 0.00 0.00 61.98 61.77 2x5a s VAL 236 Cb 0.01 -3.36 0.06 0.00 0.00 0.00 0.00 36.38 33.09 2x5a s VAL 236 CO 0.47 0.55 1.08 -1.81 0.00 0.00 0.00 175.10 175.39 2x5a s ASP 237 N -0.47 6.18 0.09 3.32 1.11 -1.26 -3.93 116.67 121.71 2x5a s ASP 237 Ca 0.12 -0.85 0.08 0.00 0.18 0.00 0.00 52.55 52.08 2x5a s ASP 237 Cb -0.12 -2.47 -0.03 0.00 1.07 0.00 0.00 42.92 41.37 2x5a s ASP 237 CO 0.02 -1.56 -0.22 -0.13 1.18 0.00 0.00 175.17 174.45 2x5a s ARG 238 N 4.59 1.24 0.23 8.23 0.52 -1.26 -5.05 118.95 127.44 2x5a s ARG 238 Ca 0.27 -1.14 -0.31 0.00 -0.52 0.00 0.00 55.73 54.03 2x5a s ARG 238 Cb -0.14 -1.50 -0.14 0.00 0.52 0.00 0.00 34.95 33.69 2x5a s ARG 238 CO 0.11 0.36 1.31 0.43 0.02 0.00 0.00 175.30 177.53 2x5a n SER 239 N 1.24 2.29 -0.94 0.23 7.64 -1.18 -4.28 113.62 118.62 2x5a n SER 239 Ca -0.19 1.15 0.12 0.00 1.01 0.00 0.00 58.87 60.96 2x5a n SER 239 Cb 0.53 -1.37 0.21 0.00 -1.01 0.00 0.00 64.21 62.57 2x5a n SER 239 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2x5a n ALA 240 N 1.60 2.46 -3.32 -0.43 0.00 -1.26 -4.30 120.51 115.25 2x5a n ALA 240 Ca 0.12 -0.75 -0.39 0.00 0.00 0.00 0.00 53.44 52.42 2x5a n ALA 240 Cb 0.30 -0.89 -0.11 0.00 0.00 0.00 0.00 19.45 18.75 2x5a n ALA 240 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2x5a s TYR 241 N -1.82 3.34 0.51 0.00 2.02 -1.26 -4.94 117.35 115.20 2x5a s TYR 241 Ca 0.33 -1.59 0.15 0.00 -0.37 0.00 0.00 57.07 55.59 2x5a s TYR 241 Cb 0.21 -2.81 1.24 0.00 -0.40 0.00 0.00 41.96 40.20 2x5a s TYR 241 CO 0.31 -0.83 2.14 -2.95 -1.57 0.00 0.00 175.55 172.65 2x5a h ASN 242 N 8.32 0.03 -3.41 2.29 7.08 -1.15 -3.43 115.58 125.31 2x5a h ASN 242 Ca -0.22 -0.00 -0.49 0.00 -3.08 0.00 0.00 56.30 52.51 2x5a h ASN 242 Cb 1.08 -0.01 -0.34 0.00 -2.08 0.00 0.00 38.32 36.97 2x5a h ASN 242 CO 0.71 0.03 -0.80 0.12 -2.08 0.00 0.00 177.43 175.40 2x5a s PHE 243 N -5.09 1.29 -0.15 4.14 5.36 -0.28 -3.70 117.98 119.54 2x5a s PHE 243 Ca -0.05 -0.47 -0.05 0.00 -0.96 0.00 0.00 56.93 55.39 2x5a s PHE 243 Cb 0.17 -0.98 -0.03 0.00 -0.34 0.00 0.00 43.02 41.83 2x5a s PHE 243 CO 0.67 -0.28 0.02 0.00 -1.46 0.00 0.00 175.22 174.18 2x5a s ALA 244 N 0.82 3.27 -0.62 11.12 0.00 -0.89 -1.89 121.76 133.56 2x5a s ALA 244 Ca -0.12 -0.77 -0.22 0.00 0.00 0.00 0.00 51.96 50.84 2x5a s ALA 244 Cb -0.15 -1.72 0.07 0.00 0.00 0.00 0.00 23.12 21.32 2x5a s ALA 244 CO 0.02 0.29 0.91 0.08 0.00 0.00 0.00 175.76 177.06 2x5a s VAL 245 N 0.05 4.43 -0.22 0.00 1.01 0.13 -1.85 120.40 123.95 2x5a s VAL 245 Ca 0.03 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 61.54 2x5a s VAL 245 Cb -0.13 -4.61 -0.04 0.00 0.00 0.00 0.00 36.38 31.60 2x5a s VAL 245 CO 0.02 -1.32 0.27 -0.69 0.00 0.00 0.00 175.10 173.38 2x5a s VAL 246 N 3.79 5.29 -0.10 2.92 1.01 -0.91 -0.87 120.40 131.54 2x5a s VAL 246 Ca 0.22 0.44 -0.02 0.00 0.00 0.00 0.00 61.98 62.62 2x5a s VAL 246 Cb -0.17 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2x5a s VAL 246 CO 0.11 0.31 -0.03 -0.36 0.00 0.00 0.00 175.10 175.14 2x5a s PHE 247 N 1.09 3.05 -0.13 5.22 0.08 -0.42 -1.12 117.98 125.75 2x5a s PHE 247 Ca 0.13 0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.22 2x5a s PHE 247 Cb -0.14 -1.81 0.01 0.00 -0.57 0.00 0.00 43.02 40.51 2x5a s PHE 247 CO 0.06 0.29 -0.22 0.08 -0.10 0.00 0.00 175.22 175.32 2x5a s VAL 248 N -0.50 2.02 0.36 -0.44 1.01 -1.26 -2.37 120.40 119.22 2x5a s VAL 248 Ca 0.08 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 60.82 2x5a s VAL 248 Cb -0.12 -1.78 -0.10 0.00 0.00 0.00 0.00 36.38 34.38 2x5a s VAL 248 CO 0.02 0.54 1.30 -0.75 0.00 0.00 0.00 175.10 176.21 2x5a s LYS 249 N 0.71 4.20 0.01 2.72 2.20 -1.23 -4.57 119.74 123.79 2x5a s LYS 249 Ca -0.10 2.18 -0.23 0.00 -0.36 0.00 0.00 55.97 57.45 2x5a s LYS 249 Cb -0.16 -2.94 -0.05 0.00 -1.51 0.00 0.00 37.83 33.17 2x5a s LYS 249 CO 0.01 -0.30 0.69 1.21 -0.36 0.00 0.00 175.35 176.60 2x5a s ASN 250 N -0.61 7.09 0.12 1.43 3.84 0.24 -4.76 114.94 122.29 2x5a s ASN 250 Ca 0.52 1.31 -0.17 0.00 0.21 0.00 0.00 52.86 54.73 2x5a s ASN 250 Cb -0.39 -2.42 -0.03 0.00 -0.55 0.00 0.00 41.25 37.86 2x5a s ASN 250 CO 0.51 0.04 1.66 0.11 -2.79 0.00 0.00 177.10 176.62 2x5a h LYS 251 N 5.77 0.53 -0.62 0.43 1.79 -1.96 0.34 116.57 122.85 2x5a h LYS 251 Ca -0.44 -0.10 -0.09 0.00 -2.18 0.00 0.00 60.65 57.84 2x5a h LYS 251 Cb 1.20 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.75 2x5a h LYS 251 CO 0.71 0.53 0.03 0.00 -1.08 0.00 0.00 179.45 179.64 2x5a h ALA 252 N 0.97 0.87 0.00 3.86 0.00 -1.95 -3.17 119.26 119.84 2x5a h ALA 252 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2x5a h ALA 252 Cb 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2x5a h ALA 252 CO -0.01 0.67 -1.01 0.25 0.00 0.00 0.00 179.25 179.15 2x5a n THR 253 N -4.19 0.29 -2.44 0.00 -2.24 -1.23 -4.95 114.28 99.52 2x5a n THR 253 Ca 0.03 -0.33 -0.15 0.00 -2.27 0.00 0.00 64.05 61.34 2x5a n THR 253 Cb 0.33 0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.57 2x5a n THR 253 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2x5a n ASP 254 N -2.16 -4.51 -4.07 3.42 2.03 0.10 -4.93 116.55 106.43 2x5a n ASP 254 Ca 0.01 0.13 -0.15 0.00 0.52 0.00 0.00 54.79 55.30 2x5a n ASP 254 Cb 0.47 -3.80 -0.10 0.00 -0.72 0.00 0.00 41.12 36.97 2x5a n ASP 254 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2x5a s ASP 255 N -2.05 0.77 -0.16 1.67 2.15 -1.18 -4.91 116.67 112.97 2x5a s ASP 255 Ca 0.01 -1.47 0.04 0.00 0.43 0.00 0.00 52.55 51.56 2x5a s ASP 255 Cb -0.00 0.37 0.35 0.00 -0.30 0.00 0.00 42.92 43.34 2x5a s ASP 255 CO 0.01 -0.86 1.25 -1.22 -0.17 0.00 0.00 175.17 174.18 2x5a n TYR 256 N -0.40 1.19 -0.38 -5.34 4.01 -1.26 0.79 117.16 115.77 2x5a n TYR 256 Ca 0.02 -0.71 0.31 0.00 -0.16 0.00 0.00 57.90 57.36 2x5a n TYR 256 Cb 0.65 -0.43 0.60 0.00 -0.31 0.00 0.00 39.34 39.85 2x5a n TYR 256 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 2x5a h THR 257 N 1.21 0.32 -3.95 -0.72 1.35 -1.93 -3.42 112.91 105.78 2x5a h THR 257 Ca 0.14 -0.07 -0.52 0.00 -0.55 0.00 0.00 66.41 65.41 2x5a h THR 257 Cb 1.52 0.09 0.07 0.00 -1.73 0.00 0.00 68.15 68.09 2x5a h THR 257 CO 0.37 0.04 0.55 -1.81 -0.25 0.00 0.00 175.52 174.42 2x5a s ASP 258 N -4.88 6.35 0.73 5.36 1.01 -1.26 -5.02 116.67 118.95 2x5a s ASP 258 Ca -0.08 2.48 -0.14 0.00 0.71 0.00 0.00 52.55 55.53 2x5a s ASP 258 Cb 0.27 -2.62 0.04 0.00 1.01 0.00 0.00 42.92 41.61 2x5a s ASP 258 CO 0.81 -0.80 1.14 -2.84 0.21 0.00 0.00 175.17 173.68 2x5a s PRO 259 N -2.33 2.34 0.60 8.23 0.02 -1.26 -4.76 135.00 137.84 2x5a s PRO 259 Ca 0.58 1.46 -0.13 0.00 0.02 0.00 0.00 61.00 62.93 2x5a s PRO 259 Cb -0.34 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.25 2x5a s PRO 259 CO 0.43 -1.62 1.03 -1.25 -0.33 0.00 0.00 177.00 175.25 2x5a s PRO 260 N -4.26 3.54 -0.21 5.54 0.04 -1.26 -4.79 135.00 133.60 2x5a s PRO 260 Ca 0.68 0.90 -0.03 0.00 0.04 0.00 0.00 61.00 62.58 2x5a s PRO 260 Cb -0.22 -2.07 -0.00 0.00 0.04 0.00 0.00 34.50 32.24 2x5a s PRO 260 CO 0.47 -0.61 -0.07 0.15 0.04 0.00 0.00 177.00 176.98 2x5a s LYS 261 N -4.72 3.30 -0.10 4.56 1.02 -0.28 -4.95 119.74 118.57 2x5a s LYS 261 Ca 0.58 -0.67 -0.22 0.00 0.02 0.00 0.00 55.97 55.68 2x5a s LYS 261 Cb -0.12 -2.93 -0.03 0.00 -0.52 0.00 0.00 37.83 34.22 2x5a s LYS 261 CO 0.46 -0.20 0.66 -1.64 -0.92 0.00 0.00 175.35 173.70 2x5a s MET 262 N 1.44 4.37 -0.16 1.68 -1.94 -1.26 -2.13 119.30 121.31 2x5a s MET 262 Ca 0.06 0.77 0.02 0.00 -1.71 0.00 0.00 55.69 54.82 2x5a s MET 262 Cb -0.14 -3.48 0.01 0.00 2.01 0.00 0.00 34.83 33.24 2x5a s MET 262 CO -0.05 0.00 -0.20 0.71 -0.01 0.00 0.00 175.02 175.47 2x5a s TYR 263 N 1.05 2.73 -0.09 -0.03 2.02 -0.77 0.26 117.35 122.52 2x5a s TYR 263 Ca 0.34 -1.44 -0.01 0.00 -0.37 0.00 0.00 57.07 55.59 2x5a s TYR 263 Cb -0.17 -1.87 -0.03 0.00 -0.40 0.00 0.00 41.96 39.49 2x5a s TYR 263 CO 0.15 -0.68 -0.02 -1.50 -1.57 0.00 0.00 175.55 171.93 2x5a s ILE 264 N 1.03 4.12 -0.29 2.71 2.07 -0.04 -2.09 121.20 128.71 2x5a s ILE 264 Ca -0.02 -0.31 -0.12 0.00 -1.41 0.00 0.00 60.65 58.79 2x5a s ILE 264 Cb -0.14 -2.73 -0.04 0.00 0.13 0.00 0.00 42.46 39.68 2x5a s ILE 264 CO -0.06 0.59 0.25 0.00 -1.91 0.00 0.00 174.94 173.81 2x5a s ALA 265 N -0.75 3.53 0.89 1.50 0.00 -1.24 -1.62 121.76 124.08 2x5a s ALA 265 Ca 0.11 -1.09 -0.12 0.00 0.00 0.00 0.00 51.96 50.86 2x5a s ALA 265 Cb -0.11 -2.58 0.13 0.00 0.00 0.00 0.00 23.12 20.55 2x5a s ALA 265 CO 0.02 -0.68 1.10 0.15 0.00 0.00 0.00 175.76 176.35 2x5a s LYS 266 N 1.84 1.30 0.41 0.00 1.02 -0.21 -4.52 119.74 119.57 2x5a s LYS 266 Ca 0.09 0.71 0.08 0.00 0.02 0.00 0.00 55.97 56.87 2x5a s LYS 266 Cb -0.16 -1.82 0.88 0.00 -0.52 0.00 0.00 37.83 36.21 2x5a s LYS 266 CO 0.11 -2.19 2.05 -0.91 -0.92 0.00 0.00 175.35 173.49 2x5a h ASN 267 N -1.50 0.46 0.66 2.83 -0.26 -1.04 -1.81 115.58 114.91 2x5a h ASN 267 Ca -0.50 -0.01 -0.10 0.00 -0.56 0.00 0.00 56.30 55.13 2x5a h ASN 267 Cb 1.29 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 38.42 2x5a h ASN 267 CO 0.56 0.32 -0.49 -0.55 -1.06 0.00 0.00 177.43 176.22 2x5a h ASN 268 N 0.54 0.00 0.00 5.81 7.08 -1.94 -3.47 115.58 123.60 2x5a h ASN 268 Ca 0.17 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.39 2x5a h ASN 268 Cb 0.01 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.25 2x5a h ASN 268 CO -0.04 0.49 0.00 0.61 -2.08 0.00 0.00 177.43 176.41 2x5a n GLY 269 N 0.12 1.42 3.69 9.14 0.00 -0.68 -5.11 105.19 113.77 2x5a n GLY 269 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2x5a n GLY 269 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2x5a s ASP 270 N -1.79 6.80 -0.31 1.61 1.01 -1.26 -4.67 116.67 118.05 2x5a s ASP 270 Ca 0.00 2.20 -0.15 0.00 0.71 0.00 0.00 52.55 55.31 2x5a s ASP 270 Cb 0.00 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 2x5a s ASP 270 CO 0.00 -0.76 0.35 -0.69 0.21 0.00 0.00 175.17 174.29 2x5a s VAL 271 N 2.43 5.18 0.31 -1.27 1.01 -1.26 -1.04 120.40 125.76 2x5a s VAL 271 Ca 0.66 0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.96 2x5a s VAL 271 Cb -0.33 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.23 2x5a s VAL 271 CO 0.28 0.02 -0.04 0.27 0.00 0.00 0.00 175.10 175.63 2x5a s ILE 272 N 2.02 1.74 0.41 2.22 -4.36 -0.64 -4.99 121.20 117.61 2x5a s ILE 272 Ca 0.13 -2.11 -0.24 0.00 -0.26 0.00 0.00 60.65 58.17 2x5a s ILE 272 Cb -0.16 -2.59 -0.09 0.00 1.25 0.00 0.00 42.46 40.87 2x5a s ILE 272 CO 0.11 -0.21 1.06 -0.62 0.24 0.00 0.00 174.94 175.51 2x5a s ASP 273 N -3.51 6.68 0.27 4.36 -1.08 -1.26 -0.86 116.67 121.26 2x5a s ASP 273 Ca 0.32 2.04 -0.01 0.00 -0.52 0.00 0.00 52.55 54.38 2x5a s ASP 273 Cb 0.05 -2.58 0.36 0.00 -1.46 0.00 0.00 42.92 39.29 2x5a s ASP 273 CO 0.14 -0.55 1.78 0.22 0.52 0.00 0.00 175.17 177.27 2x5a h TYR 274 N 2.37 0.82 -0.66 -5.34 3.20 -0.53 -2.96 116.97 113.87 2x5a h TYR 274 Ca -0.48 -0.11 -0.04 0.00 3.14 0.00 0.00 58.73 61.24 2x5a h TYR 274 Cb 1.22 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 39.23 2x5a h TYR 274 CO 0.57 0.75 0.26 0.66 -1.64 0.00 0.00 178.16 178.76 2x5a h SER 275 N 0.72 0.88 0.87 -2.11 4.64 -1.93 -2.88 113.55 113.75 2x5a h SER 275 Ca 0.14 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2x5a h SER 275 Cb 0.43 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2x5a h SER 275 CO 0.02 0.79 0.00 0.71 -0.87 0.00 0.00 176.83 177.48 2x5a h THR 276 N 0.95 0.00 -3.03 2.95 1.35 -1.90 -3.45 112.91 109.77 2x5a h THR 276 Ca 0.22 -0.37 -0.53 0.00 -0.55 0.00 0.00 66.41 65.18 2x5a h THR 276 Cb 0.19 1.24 0.06 0.00 -1.73 0.00 0.00 68.15 67.91 2x5a h THR 276 CO -0.02 0.00 0.87 -0.47 -0.25 0.00 0.00 175.52 175.65 2x5a s TYR 277 N -3.51 2.97 -0.05 4.73 5.04 -1.09 -4.94 117.35 120.51 2x5a s TYR 277 Ca 0.03 0.71 0.07 0.00 -2.44 0.00 0.00 57.07 55.43 2x5a s TYR 277 Cb 0.09 -3.96 0.10 0.00 0.35 0.00 0.00 41.96 38.55 2x5a s TYR 277 CO 0.47 -3.39 0.98 -2.39 -1.34 0.00 0.00 175.55 169.88 2x5a n HIS 278 N 3.25 0.00 -1.80 4.97 1.44 -1.26 -5.09 115.22 116.72 2x5a n HIS 278 Ca 0.11 -0.41 0.00 0.00 -2.01 0.00 0.00 57.72 55.41 2x5a n HIS 278 Cb 0.38 -0.08 0.00 0.00 0.12 0.00 0.00 29.99 30.41 2x5a n HIS 278 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2x5a n GLY 279 N -0.57 0.13 0.85 -1.39 0.00 -1.26 -5.04 105.19 97.91 2x5a n GLY 279 Ca 0.06 -1.86 0.09 0.00 0.00 0.00 0.00 46.02 44.31 2x5a n GLY 279 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2x5a n ASP 280 N -2.95 2.86 0.00 1.61 5.75 -1.26 -4.99 116.55 117.57 2x5a n ASP 280 Ca 0.00 -1.85 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 2x5a n ASP 280 Cb 0.00 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 2x5a n ASP 280 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2x5a n GLY 281 N 1.10 3.32 0.31 6.12 0.00 -1.26 -4.93 105.19 109.86 2x5a n GLY 281 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 2x5a n GLY 281 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2x5a h THR 282 N 0.00 0.95 -0.02 2.61 1.35 -1.98 -1.21 112.91 114.62 2x5a h THR 282 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 2x5a h THR 282 Cb 0.00 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 67.18 2x5a h THR 282 CO 0.00 0.03 -0.04 -0.90 -0.25 0.00 0.00 175.52 174.36 2x5a n ASP 283 N -4.48 1.61 -4.84 5.36 5.75 -1.26 -4.92 116.55 113.76 2x5a n ASP 283 Ca 0.03 -1.47 -0.24 0.00 -0.01 0.00 0.00 54.79 53.10 2x5a n ASP 283 Cb 0.24 0.03 -0.04 0.00 -1.03 0.00 0.00 41.12 40.31 2x5a n ASP 283 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2x5a s LEU 284 N -2.08 3.91 0.65 -2.12 1.43 -0.46 -0.40 118.68 119.62 2x5a s LEU 284 Ca 0.35 -0.13 -0.18 0.00 -1.03 0.00 0.00 54.13 53.14 2x5a s LEU 284 Cb 0.21 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.94 2x5a s LEU 284 CO 0.36 0.01 1.26 -2.84 0.23 0.00 0.00 176.35 175.37 2x5a s PRO 285 N -3.52 2.58 0.55 1.29 0.02 -1.26 -4.81 135.00 129.85 2x5a s PRO 285 Ca 0.32 1.96 0.34 0.00 0.02 0.00 0.00 61.00 63.64 2x5a s PRO 285 Cb -0.09 -1.86 1.37 0.00 0.02 0.00 0.00 34.50 33.94 2x5a s PRO 285 CO 0.25 -1.55 1.99 0.38 -0.33 0.00 0.00 177.00 177.74 2x5a h ASP 286 N 0.49 0.00 -4.18 2.53 3.04 -1.97 -3.43 116.42 112.89 2x5a h ASP 286 Ca -0.50 0.00 -0.35 0.00 -3.24 0.00 0.00 57.03 52.93 2x5a h ASP 286 Cb 1.32 0.00 -0.26 0.00 -1.04 0.00 0.00 39.33 39.35 2x5a h ASP 286 CO 0.53 0.00 -0.76 0.68 -2.04 0.00 0.00 179.24 177.65 2x5a s VAL 287 N -3.67 0.64 -0.36 4.15 -7.23 -1.26 -5.14 120.40 107.52 2x5a s VAL 287 Ca 0.01 -0.56 -0.09 0.00 -1.81 0.00 0.00 61.98 59.53 2x5a s VAL 287 Cb 0.09 -0.58 0.03 0.00 0.56 0.00 0.00 36.38 36.49 2x5a s VAL 287 CO 0.54 0.03 0.16 -0.60 -0.31 0.00 0.00 175.10 174.92 2x5a s ARG 288 N -0.60 2.72 -0.57 4.82 3.52 -1.26 -5.01 118.95 122.58 2x5a s ARG 288 Ca -0.00 -1.14 -0.12 0.00 -0.13 0.00 0.00 55.73 54.34 2x5a s ARG 288 Cb -0.05 -3.62 0.14 0.00 -1.56 0.00 0.00 34.95 29.87 2x5a s ARG 288 CO 0.00 -0.70 0.48 0.95 -0.81 0.00 0.00 175.30 175.22 2x5a s THR 289 N 1.48 4.76 0.33 4.11 -4.23 -1.26 -5.02 115.64 115.82 2x5a s THR 289 Ca 0.00 -1.89 -0.08 0.00 -1.18 0.00 0.00 61.69 58.54 2x5a s THR 289 Cb -0.19 -4.06 -0.06 0.00 1.34 0.00 0.00 72.50 69.52 2x5a s THR 289 CO 0.05 -0.86 0.64 0.00 -0.54 0.00 0.00 174.62 173.91 2x5a s ALA 290 N 1.13 3.50 0.00 3.99 0.00 -1.26 -0.66 121.76 128.47 2x5a s ALA 290 Ca 0.08 -0.39 -0.14 0.00 0.00 0.00 0.00 51.96 51.51 2x5a s ALA 290 Cb -0.24 -2.48 0.02 0.00 0.00 0.00 0.00 23.12 20.42 2x5a s ALA 290 CO -0.01 0.16 0.29 -1.59 0.00 0.00 0.00 175.76 174.61 2x5a s LYS 291 N -3.61 0.69 -0.23 0.00 -2.85 -0.79 -4.92 119.74 108.02 2x5a s LYS 291 Ca 0.47 -0.30 -0.04 0.00 -1.00 0.00 0.00 55.97 55.10 2x5a s LYS 291 Cb -0.11 0.30 -0.01 0.00 -2.06 0.00 0.00 37.83 35.96 2x5a s LYS 291 CO 0.30 -0.20 -0.03 0.99 0.10 0.00 0.00 175.35 176.51 2x5a s THR 292 N -1.68 3.44 -0.08 3.79 2.01 -1.26 0.18 115.64 122.03 2x5a s THR 292 Ca -0.11 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.37 2x5a s THR 292 Cb -0.04 -2.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.84 2x5a s THR 292 CO 0.02 0.37 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.45 2x5a s LEU 293 N 1.48 2.90 -0.13 4.42 1.43 -0.05 -4.95 118.68 123.77 2x5a s LEU 293 Ca 0.05 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 2x5a s LEU 293 Cb -0.15 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 2x5a s LEU 293 CO -0.03 0.29 -0.14 -0.36 0.23 0.00 0.00 176.35 176.35 2x5a s PHE 294 N -0.39 2.80 0.07 0.29 0.08 -1.26 -1.30 117.98 118.27 2x5a s PHE 294 Ca 0.05 -0.71 0.07 0.00 0.12 0.00 0.00 56.93 56.46 2x5a s PHE 294 Cb -0.12 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.45 2x5a s PHE 294 CO 0.02 -0.26 -0.20 0.71 -0.10 0.00 0.00 175.22 175.40 2x5a s TYR 295 N 0.42 1.69 -0.15 0.36 2.02 -1.00 -5.00 117.35 115.69 2x5a s TYR 295 Ca -0.10 -0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 56.10 2x5a s TYR 295 Cb -0.16 -0.97 -0.05 0.00 -0.40 0.00 0.00 41.96 40.39 2x5a s TYR 295 CO 0.05 0.13 0.17 -0.51 -1.57 0.00 0.00 175.55 173.83 2x5a s ASP 296 N -1.54 6.35 0.36 2.29 1.01 -1.26 -3.48 116.67 120.39 2x5a s ASP 296 Ca 0.06 0.40 -0.28 0.00 0.71 0.00 0.00 52.55 53.44 2x5a s ASP 296 Cb -0.09 -2.10 -0.11 0.00 1.01 0.00 0.00 42.92 41.63 2x5a s ASP 296 CO 0.03 0.27 1.43 -0.13 0.21 0.00 0.00 175.17 176.98 2x5a s ARG 297 N -0.27 4.20 1.13 8.23 0.52 -1.26 -4.91 118.95 126.58 2x5a s ARG 297 Ca 0.13 2.45 -0.16 0.00 -0.52 0.00 0.00 55.73 57.62 2x5a s ARG 297 Cb -0.12 -3.01 0.25 0.00 0.52 0.00 0.00 34.95 32.59 2x5a s ARG 297 CO 0.02 -0.41 1.09 0.16 0.02 0.00 0.00 175.30 176.18 2x5a s ASP 298 N -0.24 1.55 0.37 0.23 3.84 -1.25 -4.89 116.67 116.27 2x5a s ASP 298 Ca 0.52 0.91 0.06 0.00 -0.00 0.00 0.00 52.55 54.04 2x5a s ASP 298 Cb -0.44 -1.37 0.73 0.00 -1.38 0.00 0.00 42.92 40.46 2x5a s ASP 298 CO 0.59 -3.77 1.96 0.44 -0.00 0.00 0.00 175.17 174.39 2x5a h ASP 299 N -2.33 0.45 0.30 2.11 5.19 -1.95 -2.09 116.42 118.10 2x5a h ASP 299 Ca -0.50 -0.05 -0.08 0.00 -0.62 0.00 0.00 57.03 55.77 2x5a h ASP 299 Cb 1.32 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.70 2x5a h ASP 299 CO 0.45 0.45 -0.35 0.45 -3.12 0.00 0.00 179.24 177.13 2x5a h HIS 300 N 0.50 0.08 0.00 4.55 3.86 -2.04 -3.47 115.15 118.63 2x5a h HIS 300 Ca 0.12 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2x5a h HIS 300 Cb 0.17 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.62 2x5a h HIS 300 CO 0.01 0.41 0.00 0.41 0.86 0.00 0.00 177.93 179.62 2x5a n GLY 301 N -0.47 0.30 3.77 2.45 0.00 -0.79 -5.09 105.19 105.35 2x5a n GLY 301 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 2x5a n GLY 301 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2x5a s ASN 302 N -1.99 6.50 0.69 1.61 -0.87 -1.26 -4.75 114.94 114.88 2x5a s ASN 302 Ca 0.00 2.31 -0.16 0.00 -1.57 0.00 0.00 52.86 53.45 2x5a s ASN 302 Cb 0.00 -2.61 0.02 0.00 -0.02 0.00 0.00 41.25 38.64 2x5a s ASN 302 CO 0.00 -0.69 1.18 -2.84 -2.57 0.00 0.00 177.10 172.18 2x5a s PRO 303 N -2.36 2.46 0.33 -0.60 0.02 -1.26 -3.95 135.00 129.64 2x5a s PRO 303 Ca 0.58 1.66 -0.29 0.00 0.02 0.00 0.00 61.00 62.97 2x5a s PRO 303 Cb -0.30 -1.88 -0.11 0.00 0.02 0.00 0.00 34.50 32.24 2x5a s PRO 303 CO 0.37 -1.57 1.44 -1.25 -0.33 0.00 0.00 177.00 175.66 2x5a s PRO 304 N -3.87 4.21 0.69 5.54 0.04 -1.26 -4.96 135.00 135.39 2x5a s PRO 304 Ca 0.73 2.42 -0.16 0.00 0.04 0.00 0.00 61.00 64.02 2x5a s PRO 304 Cb -0.27 -3.03 0.02 0.00 0.04 0.00 0.00 34.50 31.26 2x5a s PRO 304 CO 0.42 -0.43 1.24 -2.00 0.04 0.00 0.00 177.00 176.28 2x5a s GLU 305 N -1.45 2.33 0.20 4.56 2.12 -1.26 -4.95 118.70 120.25 2x5a s GLU 305 Ca 0.54 1.90 -0.10 0.00 0.36 0.00 0.00 54.97 57.67 2x5a s GLU 305 Cb -0.44 -1.84 0.21 0.00 0.26 0.00 0.00 34.13 32.32 2x5a s GLU 305 CO 0.54 -1.72 1.81 1.25 -0.54 0.00 0.00 175.26 176.60 2x5a h LEU 306 N 0.10 0.55 -1.77 2.70 7.12 -1.99 -2.99 115.31 119.03 2x5a h LEU 306 Ca -0.49 0.02 0.03 0.00 0.13 0.00 0.00 57.88 57.57 2x5a h LEU 306 Cb 1.31 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 41.34 2x5a h LEU 306 CO 0.51 0.37 0.21 0.77 -0.13 0.00 0.00 178.44 180.17 2x5a h SER 307 N 0.69 0.26 0.44 1.25 4.64 -1.96 -1.53 113.55 117.33 2x5a h SER 307 Ca 0.28 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.42 2x5a h SER 307 Cb 0.14 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 2x5a h SER 307 CO -0.16 0.18 -0.76 0.71 -0.87 0.00 0.00 176.83 175.93 2x5a h THR 308 N 0.30 1.43 -0.31 2.95 1.35 -1.91 -3.17 112.91 113.55 2x5a h THR 308 Ca 0.13 -2.31 -0.09 0.00 -0.55 0.00 0.00 66.41 63.58 2x5a h THR 308 Cb 0.13 2.24 -0.01 0.00 -1.73 0.00 0.00 68.15 68.79 2x5a h THR 308 CO -0.03 0.68 -0.16 0.40 -0.25 0.00 0.00 175.52 176.17 2x5a h ILE 309 N 0.17 1.29 -0.77 6.82 2.04 -1.34 -3.31 117.51 122.40 2x5a h ILE 309 Ca -0.03 -1.27 0.18 0.00 1.00 0.00 0.00 64.86 64.74 2x5a h ILE 309 Cb 1.34 1.44 -0.13 0.00 -0.74 0.00 0.00 36.82 38.73 2x5a h ILE 309 CO 0.12 0.41 0.06 0.50 0.00 0.00 0.00 178.15 179.24 2x5a h LYS 310 N 0.42 0.14 -0.48 2.37 3.64 -1.28 -1.99 116.57 119.38 2x5a h LYS 310 Ca 0.07 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2x5a h LYS 310 Cb 0.69 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 2x5a h LYS 310 CO 0.05 0.09 0.25 -0.24 -2.27 0.00 0.00 179.45 177.33 2x5a h VAL 311 N 0.14 1.16 0.00 2.00 3.04 -1.64 -1.22 116.25 119.72 2x5a h VAL 311 Ca 0.44 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 2x5a h VAL 311 Cb 0.79 0.52 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 2x5a h VAL 311 CO -0.64 0.18 0.00 1.21 -1.01 0.00 0.00 177.57 177.30 2x5a n GLU 312 N -4.40 0.51 0.00 4.17 4.07 -0.76 -3.45 120.64 120.79 2x5a n GLU 312 Ca 0.04 0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 2x5a n GLU 312 Cb 0.11 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 29.99 2x5a n GLU 312 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 2x5a n ILE 313 N -1.23 0.29 -2.58 6.31 3.06 -0.83 -4.75 119.36 119.63 2x5a n ILE 313 Ca 0.15 -0.42 -0.37 0.00 -2.50 0.00 0.00 62.75 59.61 2x5a n ILE 313 Cb 0.21 1.06 -0.05 0.00 0.54 0.00 0.00 39.64 41.41 2x5a n ILE 313 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 2x5a s SER 314 N -0.29 6.97 0.53 9.51 0.01 -0.52 -4.65 113.70 125.26 2x5a s SER 314 Ca 0.00 2.04 -0.18 0.00 1.31 0.00 0.00 55.95 59.12 2x5a s SER 314 Cb 0.00 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.57 2x5a s SER 314 CO 0.00 -0.34 1.04 -2.16 0.41 0.00 0.00 173.24 172.19 2x5a s PRO 315 N -2.20 3.62 0.28 12.44 0.04 -1.26 -3.12 135.00 144.80 2x5a s PRO 315 Ca 0.54 1.25 -0.01 0.00 0.04 0.00 0.00 61.00 62.82 2x5a s PRO 315 Cb -0.23 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 2x5a s PRO 315 CO 0.29 -0.57 0.49 -1.54 0.04 0.00 0.00 177.00 175.72 2x5a s SER 316 N -2.44 6.36 -0.68 6.66 1.04 -1.26 -4.80 113.70 118.58 2x5a s SER 316 Ca 0.65 0.47 -0.26 0.00 0.48 0.00 0.00 55.95 57.29 2x5a s SER 316 Cb -0.15 -2.04 -0.04 0.00 0.10 0.00 0.00 66.02 63.89 2x5a s SER 316 CO 0.28 -0.18 1.96 0.42 0.98 0.00 0.00 173.24 176.70 2x5a s THR 317 N -2.11 3.33 -0.39 2.02 -4.23 -1.25 -4.95 115.64 108.05 2x5a s THR 317 Ca 0.40 0.03 -0.29 0.00 -1.18 0.00 0.00 61.69 60.65 2x5a s THR 317 Cb -0.10 -3.82 0.01 0.00 1.34 0.00 0.00 72.50 69.92 2x5a s THR 317 CO 0.32 -0.79 1.35 -0.63 -0.54 0.00 0.00 174.62 174.34 2x5a s ILE 318 N 9.90 4.00 -0.07 2.99 1.09 -1.26 -3.51 121.20 134.33 2x5a s ILE 318 Ca 0.72 1.05 0.03 0.00 -1.10 0.00 0.00 60.65 61.35 2x5a s ILE 318 Cb -0.12 -4.23 0.00 0.00 -1.06 0.00 0.00 42.46 37.05 2x5a s ILE 318 CO 0.15 -0.71 -0.18 -0.69 -0.10 0.00 0.00 174.94 173.41 2x5a s VAL 319 N 5.05 1.56 0.46 2.92 1.01 0.26 -4.96 120.40 126.70 2x5a s VAL 319 Ca 0.58 -0.74 -0.18 0.00 0.00 0.00 0.00 61.98 61.64 2x5a s VAL 319 Cb -0.14 -1.37 -0.09 0.00 0.00 0.00 0.00 36.38 34.78 2x5a s VAL 319 CO 0.30 0.45 0.94 -0.89 0.00 0.00 0.00 175.10 175.90 2x5a s THR 320 N 0.38 4.49 -0.14 3.92 2.01 -1.26 0.68 115.64 125.72 2x5a s THR 320 Ca -0.13 1.29 -0.02 0.00 0.31 0.00 0.00 61.69 63.13 2x5a s THR 320 Cb -0.16 -3.66 0.04 0.00 0.01 0.00 0.00 72.50 68.74 2x5a s THR 320 CO 0.05 -0.48 0.01 -0.60 -0.69 0.00 0.00 174.62 172.91 2x5a s ARG 321 N -3.58 0.74 -0.20 4.92 3.52 0.73 -2.04 118.95 123.04 2x5a s ARG 321 Ca 0.59 -0.21 -0.03 0.00 -0.13 0.00 0.00 55.73 55.95 2x5a s ARG 321 Cb -0.10 -1.63 -0.01 0.00 -1.56 0.00 0.00 34.95 31.66 2x5a s ARG 321 CO 0.22 -0.47 -0.06 -0.51 -0.81 0.00 0.00 175.30 173.67 2x5a s LEU 322 N 1.88 2.86 -0.22 -0.88 1.43 0.32 -1.94 118.68 122.12 2x5a s LEU 322 Ca 0.02 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 2x5a s LEU 322 Cb -0.15 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.37 2x5a s LEU 322 CO -0.07 0.02 -0.08 -0.63 0.23 0.00 0.00 176.35 175.82 2x5a s ILE 323 N 1.26 2.96 0.15 -0.59 1.09 -1.02 0.37 121.20 125.42 2x5a s ILE 323 Ca 0.03 -0.77 -0.09 0.00 -1.10 0.00 0.00 60.65 58.72 2x5a s ILE 323 Cb -0.14 -2.39 -0.00 0.00 -1.06 0.00 0.00 42.46 38.86 2x5a s ILE 323 CO -0.02 0.36 0.28 0.72 -0.10 0.00 0.00 174.94 176.17 2x5a s PHE 324 N 1.39 0.31 0.48 3.97 -0.12 -0.98 -0.35 117.98 122.69 2x5a s PHE 324 Ca 0.04 -0.68 -0.23 0.00 -0.05 0.00 0.00 56.93 56.01 2x5a s PHE 324 Cb -0.15 -0.03 -0.07 0.00 -0.63 0.00 0.00 43.02 42.14 2x5a s PHE 324 CO -0.05 -0.69 1.22 -0.80 -0.05 0.00 0.00 175.22 174.84 2x5a s ASN 325 N -2.94 5.93 0.03 1.98 0.01 0.25 -0.78 114.94 119.43 2x5a s ASN 325 Ca 0.14 2.43 -0.30 0.00 -0.71 0.00 0.00 52.86 54.41 2x5a s ASN 325 Cb 0.03 -2.61 -0.07 0.00 0.41 0.00 0.00 41.25 39.01 2x5a s ASN 325 CO -0.03 -1.09 1.60 -1.58 -1.51 0.00 0.00 177.10 174.50 2x5a s GLN 326 N -2.75 4.21 -0.32 -0.60 2.00 0.12 -4.84 119.66 117.48 2x5a s GLN 326 Ca 0.66 2.23 -0.21 0.00 -2.00 0.00 0.00 55.36 56.04 2x5a s GLN 326 Cb -0.32 -3.67 -0.00 0.00 0.80 0.00 0.00 33.01 29.82 2x5a s GLN 326 CO 0.38 -0.72 0.69 1.21 -0.50 0.00 0.00 175.29 176.34 2x5a s ASN 327 N 2.48 6.54 0.33 6.67 3.84 -1.26 -4.95 114.94 128.59 2x5a s ASN 327 Ca 0.72 0.45 0.26 0.00 0.21 0.00 0.00 52.86 54.50 2x5a s ASN 327 Cb -0.37 -2.36 1.04 0.00 -0.55 0.00 0.00 41.25 39.01 2x5a s ASN 327 CO 0.31 -0.55 1.78 1.05 -2.79 0.00 0.00 177.10 176.90 2x5a h GLU 328 N 8.23 0.00 -0.11 0.43 4.11 -1.99 -2.59 114.58 122.65 2x5a h GLU 328 Ca -0.26 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.98 2x5a h GLU 328 Cb 1.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 2x5a h GLU 328 CO 0.84 0.00 -0.73 -0.07 0.07 0.00 0.00 179.01 179.12 2x5a h LEU 329 N 0.00 0.64 -6.40 3.06 3.38 -2.03 -3.39 115.31 110.56 2x5a h LEU 329 Ca 0.00 -0.41 -0.51 0.00 0.09 0.00 0.00 57.88 57.04 2x5a h LEU 329 Cb 0.46 -0.19 -0.36 0.00 0.09 0.00 0.00 40.66 40.66 2x5a h LEU 329 CO 0.00 1.17 -0.83 -0.22 0.09 0.00 0.00 178.44 178.65 2x5a s LEU 330 N -8.13 0.71 0.33 1.67 0.20 -1.13 -5.15 118.68 107.18 2x5a s LEU 330 Ca -0.07 -2.24 -0.28 0.00 0.69 0.00 0.00 54.13 52.23 2x5a s LEU 330 Cb 0.10 -0.07 -0.09 0.00 -0.43 0.00 0.00 46.19 45.70 2x5a s LEU 330 CO 0.86 -0.25 1.17 -2.84 -0.29 0.00 0.00 176.35 175.00 2x5a s PRO 331 N 0.90 4.38 -0.06 0.98 0.02 -0.99 -4.48 135.00 135.75 2x5a s PRO 331 Ca 0.22 1.90 0.06 0.00 0.02 0.00 0.00 61.00 63.20 2x5a s PRO 331 Cb -0.13 -2.98 -0.01 0.00 0.02 0.00 0.00 34.50 31.40 2x5a s PRO 331 CO -0.05 -0.06 -0.24 -0.51 -0.33 0.00 0.00 177.00 175.81 2x5a s LEU 332 N -1.90 2.05 0.32 -5.54 1.43 -1.26 -5.06 118.68 108.72 2x5a s LEU 332 Ca 0.50 -0.50 0.08 0.00 -1.03 0.00 0.00 54.13 53.18 2x5a s LEU 332 Cb -0.33 -1.33 -0.06 0.00 0.03 0.00 0.00 46.19 44.50 2x5a s LEU 332 CO 0.42 0.23 -0.07 -0.31 0.23 0.00 0.00 176.35 176.86 2x5a s TYR 333 N -0.11 2.18 0.31 0.29 2.02 -1.26 -5.02 117.35 115.76 2x5a s TYR 333 Ca -0.04 -0.62 -0.29 0.00 -0.37 0.00 0.00 57.07 55.74 2x5a s TYR 333 Cb -0.14 -1.27 -0.12 0.00 -0.40 0.00 0.00 41.96 40.03 2x5a s TYR 333 CO 0.04 0.41 1.41 0.28 -1.57 0.00 0.00 175.55 176.12 2x5a n VAL 334 N -0.70 1.53 -2.80 0.71 0.31 -1.26 -3.82 118.33 112.30 2x5a n VAL 334 Ca -0.05 -0.38 -0.11 0.00 -0.01 0.00 0.00 64.34 63.79 2x5a n VAL 334 Cb 0.64 -1.69 0.05 0.00 -0.91 0.00 0.00 33.84 31.93 2x5a n VAL 334 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2x5a n ASN 335 N 1.36 -5.54 -3.86 4.52 3.02 -0.53 -5.02 115.26 109.21 2x5a n ASN 335 Ca 0.07 -0.50 -0.21 0.00 -0.03 0.00 0.00 54.58 53.90 2x5a n ASN 335 Cb 0.35 -4.05 -0.17 0.00 -0.61 0.00 0.00 39.78 35.31 2x5a n ASN 335 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2x5a s ASP 336 N -3.26 1.20 -0.30 6.41 -1.08 -1.25 -4.92 116.67 113.47 2x5a s ASP 336 Ca 0.33 -0.13 -0.29 0.00 -0.52 0.00 0.00 52.55 51.94 2x5a s ASP 336 Cb -0.04 -0.48 -0.00 0.00 -1.46 0.00 0.00 42.92 40.94 2x5a s ASP 336 CO 0.55 -0.09 1.39 -0.76 0.52 0.00 0.00 175.17 176.78 2x5a s LEU 337 N 1.23 3.82 0.09 -1.34 1.43 -1.26 -2.91 118.68 119.74 2x5a s LEU 337 Ca -0.06 1.22 0.05 0.00 -1.03 0.00 0.00 54.13 54.32 2x5a s LEU 337 Cb -0.14 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 2x5a s LEU 337 CO -0.02 -1.19 -0.14 0.68 0.23 0.00 0.00 176.35 175.91 2x5a s VAL 338 N 4.77 1.17 -0.23 -1.59 -7.23 -0.77 -1.51 120.40 115.01 2x5a s VAL 338 Ca 0.61 -1.45 0.02 0.00 -1.81 0.00 0.00 61.98 59.35 2x5a s VAL 338 Cb -0.18 -1.23 0.05 0.00 0.56 0.00 0.00 36.38 35.58 2x5a s VAL 338 CO 0.26 -0.30 -0.12 -1.81 -0.31 0.00 0.00 175.10 172.83 2x5a s ASP 339 N -1.99 3.92 -0.13 4.85 1.01 0.14 -1.83 116.67 122.66 2x5a s ASP 339 Ca 0.02 -1.14 -0.03 0.00 0.71 0.00 0.00 52.55 52.11 2x5a s ASP 339 Cb -0.08 -1.42 -0.03 0.00 1.01 0.00 0.00 42.92 42.40 2x5a s ASP 339 CO 0.02 -0.16 -0.00 -0.63 0.21 0.00 0.00 175.17 174.62 2x5a s ILE 340 N 1.24 4.26 -0.39 0.77 1.01 0.49 -0.33 121.20 128.24 2x5a s ILE 340 Ca -0.05 -0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.21 2x5a s ILE 340 Cb -0.18 -2.84 0.01 0.00 0.01 0.00 0.00 42.46 39.46 2x5a s ILE 340 CO -0.07 0.54 0.29 0.26 0.00 0.00 0.00 174.94 175.97 2x5a s TRP 341 N -0.24 3.23 -0.16 3.97 0.52 -0.17 -0.45 118.94 125.64 2x5a s TRP 341 Ca 0.06 -0.46 -0.02 0.00 0.02 0.00 0.00 56.10 55.70 2x5a s TRP 341 Cb -0.12 -2.58 0.05 0.00 -1.15 0.00 0.00 33.47 29.66 2x5a s TRP 341 CO 0.02 -0.53 0.01 -0.47 0.02 0.00 0.00 176.95 176.00 2x5a s TYR 342 N 1.73 1.03 -1.50 -1.98 5.04 0.00 -1.32 117.35 120.35 2x5a s TYR 342 Ca 0.06 -0.71 -0.06 0.00 -2.44 0.00 0.00 57.07 53.91 2x5a s TYR 342 Cb -0.18 -1.01 0.01 0.00 0.35 0.00 0.00 41.96 41.13 2x5a s TYR 342 CO 0.10 -0.54 0.77 0.39 -1.34 0.00 0.00 175.55 174.93 2x5a n GLU 343 N 5.05 -5.70 -0.20 4.97 -0.58 -1.26 -2.61 120.64 120.30 2x5a n GLU 343 Ca -0.09 0.87 0.00 0.00 -0.42 0.00 0.00 57.16 57.52 2x5a n GLU 343 Cb 0.48 -5.79 0.00 0.00 -0.57 0.00 0.00 31.44 25.56 2x5a n GLU 343 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2x5a n GLY 344 N -1.65 1.00 3.57 0.62 0.00 -1.26 -5.06 105.19 102.40 2x5a n GLY 344 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 2x5a n GLY 344 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x5a s LYS 345 N -0.58 2.71 -0.16 1.61 1.02 -1.07 -5.12 119.74 118.15 2x5a s LYS 345 Ca 0.00 -0.57 -0.12 0.00 0.02 0.00 0.00 55.97 55.30 2x5a s LYS 345 Cb 0.00 -2.56 -0.05 0.00 -0.52 0.00 0.00 37.83 34.70 2x5a s LYS 345 CO 0.00 0.66 0.23 -1.17 -0.92 0.00 0.00 175.35 174.15 2x5a s LEU 346 N -0.83 4.27 -0.08 3.17 2.96 -1.26 -0.82 118.68 126.10 2x5a s LEU 346 Ca 0.12 0.45 0.03 0.00 -0.22 0.00 0.00 54.13 54.52 2x5a s LEU 346 Cb -0.11 -2.26 0.01 0.00 0.50 0.00 0.00 46.19 44.33 2x5a s LEU 346 CO 0.02 0.18 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.74 2x5a s TYR 347 N 0.11 1.95 -0.21 5.38 2.02 0.40 -4.99 117.35 122.01 2x5a s TYR 347 Ca 0.14 -0.74 -0.03 0.00 -0.37 0.00 0.00 57.07 56.07 2x5a s TYR 347 Cb -0.12 -1.35 -0.01 0.00 -0.40 0.00 0.00 41.96 40.08 2x5a s TYR 347 CO 0.03 -0.32 -0.06 -1.12 -1.57 0.00 0.00 175.55 172.51 2x5a s SER 348 N 0.44 4.18 0.00 2.29 0.01 -1.26 -0.38 113.70 118.98 2x5a s SER 348 Ca -0.15 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.70 2x5a s SER 348 Cb -0.16 -1.71 0.00 0.00 0.21 0.00 0.00 66.02 64.36 2x5a s SER 348 CO 0.06 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.30 2x5a n GLY 349 N 4.74 2.14 3.15 3.44 0.00 -0.76 -2.59 105.19 115.30 2x5a n GLY 349 Ca -0.18 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 2x5a n GLY 349 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2x5a s TYR 350 N -0.34 0.84 -0.48 1.61 -0.85 -0.53 -1.85 117.35 115.76 2x5a s TYR 350 Ca 0.00 -1.23 -0.24 0.00 -0.52 0.00 0.00 57.07 55.09 2x5a s TYR 350 Cb 0.00 -0.48 0.03 0.00 0.38 0.00 0.00 41.96 41.89 2x5a s TYR 350 CO 0.00 -0.51 0.84 0.42 -1.52 0.00 0.00 175.55 174.78 2x5a s ILE 351 N -4.04 4.57 -0.04 -3.49 -1.09 -1.15 -0.75 121.20 115.21 2x5a s ILE 351 Ca 0.23 0.40 -0.06 0.00 -2.23 0.00 0.00 60.65 58.99 2x5a s ILE 351 Cb 0.07 -4.39 -0.28 0.00 -1.58 0.00 0.00 42.46 36.28 2x5a s ILE 351 CO 0.01 -0.84 0.70 0.00 -1.23 0.00 0.00 174.94 173.58 2x5a h ALA 352 N 9.08 0.28 -2.59 9.38 0.00 -0.87 -1.40 119.26 133.14 2x5a h ALA 352 Ca -0.25 -1.19 -0.17 0.00 0.00 0.00 0.00 54.91 53.31 2x5a h ALA 352 Cb 1.08 0.43 -0.14 0.00 0.00 0.00 0.00 17.79 19.16 2x5a h ALA 352 CO 1.00 1.15 -0.49 0.34 0.00 0.00 0.00 179.25 181.25 2x5a s ASP 353 N -7.06 0.14 -0.15 0.00 -1.08 -1.21 -4.66 116.67 102.65 2x5a s ASP 353 Ca -0.13 -1.15 -0.05 0.00 -0.52 0.00 0.00 52.55 50.70 2x5a s ASP 353 Cb 0.06 0.40 0.07 0.00 -1.46 0.00 0.00 42.92 41.99 2x5a s ASP 353 CO 0.84 -0.86 0.30 -0.60 0.52 0.00 0.00 175.17 175.37 2x5a s ARG 354 N -4.06 0.19 -0.31 4.34 3.52 -1.26 -1.53 118.95 119.84 2x5a s ARG 354 Ca 0.27 0.81 -0.12 0.00 -0.13 0.00 0.00 55.73 56.56 2x5a s ARG 354 Cb 0.05 0.04 -0.03 0.00 -1.56 0.00 0.00 34.95 33.45 2x5a s ARG 354 CO 0.06 -0.29 0.23 0.54 -0.81 0.00 0.00 175.30 175.03 2x5a s VAL 355 N 2.47 5.28 -0.38 7.11 0.11 0.55 -1.48 120.40 134.06 2x5a s VAL 355 Ca 0.01 0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 58.92 2x5a s VAL 355 Cb -0.12 -3.64 0.01 0.00 -1.53 0.00 0.00 36.38 31.10 2x5a s VAL 355 CO -0.10 0.11 0.37 -0.54 -3.33 0.00 0.00 175.10 171.62 2x5a s LYS 356 N 1.78 3.28 0.46 1.54 -0.14 0.07 -2.43 119.74 124.30 2x5a s LYS 356 Ca 0.07 -0.66 0.03 0.00 -1.36 0.00 0.00 55.97 54.05 2x5a s LYS 356 Cb -0.17 -3.90 -0.02 0.00 -1.68 0.00 0.00 37.83 32.06 2x5a s LYS 356 CO 0.11 -0.68 0.06 0.95 -0.76 0.00 0.00 175.35 175.02 2x5a s THR 357 N 1.99 0.99 0.22 2.17 -4.23 -0.95 -1.89 115.64 113.95 2x5a s THR 357 Ca 0.10 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.76 2x5a s THR 357 Cb -0.17 -2.32 0.06 0.00 1.34 0.00 0.00 72.50 71.41 2x5a s THR 357 CO 0.12 0.00 1.69 -0.33 -0.54 0.00 0.00 174.62 175.56 2x5a h GLU 358 N 1.59 0.00 0.00 3.99 5.08 -1.98 -3.38 114.58 119.87 2x5a h GLU 358 Ca -0.40 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.68 2x5a h GLU 358 Cb 1.29 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 2x5a h GLU 358 CO 0.67 0.48 -1.89 1.19 -1.00 0.00 0.00 179.01 178.46 2x5a n PHE 359 N -3.68 0.00 -4.54 4.33 3.72 -1.26 -5.09 117.46 110.95 2x5a n PHE 359 Ca -0.01 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.14 2x5a n PHE 359 Cb 0.55 -0.76 -0.10 0.00 -0.94 0.00 0.00 39.48 38.23 2x5a n PHE 359 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2x5a s ASN 360 N -6.81 3.06 -0.23 4.37 -0.87 -1.26 -5.13 114.94 108.07 2x5a s ASN 360 Ca -0.33 -1.42 -0.00 0.00 -1.57 0.00 0.00 52.86 49.54 2x5a s ASN 360 Cb 0.10 -0.10 0.06 0.00 -0.02 0.00 0.00 41.25 41.29 2x5a s ASN 360 CO 0.43 -0.60 -0.02 -0.62 -2.57 0.00 0.00 177.10 173.72 2x5a s ASP 361 N -3.60 3.63 0.13 -1.22 3.68 -1.26 -2.24 116.67 115.78 2x5a s ASP 361 Ca 0.33 -1.13 0.09 0.00 2.13 0.00 0.00 52.55 53.97 2x5a s ASP 361 Cb 0.08 -1.02 -0.04 0.00 -1.45 0.00 0.00 42.92 40.49 2x5a s ASP 361 CO 0.15 -0.26 -0.22 -0.13 0.13 0.00 0.00 175.17 174.83 2x5a s ARG 362 N 1.52 1.25 0.26 4.34 0.52 -1.02 0.14 118.95 125.95 2x5a s ARG 362 Ca -0.04 -1.28 0.10 0.00 -0.52 0.00 0.00 55.73 54.00 2x5a s ARG 362 Cb -0.18 -1.56 -0.04 0.00 0.52 0.00 0.00 34.95 33.69 2x5a s ARG 362 CO -0.07 0.36 -0.03 -0.51 0.02 0.00 0.00 175.30 175.06 2x5a s LEU 363 N -2.11 3.13 -0.33 2.53 2.01 0.04 -0.33 118.68 123.62 2x5a s LEU 363 Ca 0.11 -0.67 0.04 0.00 0.01 0.00 0.00 54.13 53.62 2x5a s LEU 363 Cb -0.09 -1.66 0.10 0.00 0.01 0.00 0.00 46.19 44.54 2x5a s LEU 363 CO 0.05 0.01 0.04 -0.63 1.01 0.00 0.00 176.35 176.83 2x5a s ILE 364 N -2.28 2.16 -0.03 -0.59 1.01 -0.58 -2.31 121.20 118.58 2x5a s ILE 364 Ca 0.31 -2.20 -0.21 0.00 0.00 0.00 0.00 60.65 58.55 2x5a s ILE 364 Cb -0.07 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.79 2x5a s ILE 364 CO 0.19 -0.54 0.62 0.12 0.00 0.00 0.00 174.94 175.33 2x5a s PHE 365 N 0.98 3.65 -0.16 3.97 5.36 0.16 -0.10 117.98 131.83 2x5a s PHE 365 Ca 0.09 1.20 -0.00 0.00 -0.96 0.00 0.00 56.93 57.26 2x5a s PHE 365 Cb -0.19 -2.67 0.04 0.00 -0.34 0.00 0.00 43.02 39.86 2x5a s PHE 365 CO -0.09 0.27 -0.07 0.08 -1.46 0.00 0.00 175.22 173.95 2x5a s VAL 366 N 0.13 1.20 0.27 3.12 1.01 0.07 -0.52 120.40 125.68 2x5a s VAL 366 Ca 0.33 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 2x5a s VAL 366 Cb -0.18 -1.33 -0.10 0.00 0.00 0.00 0.00 36.38 34.78 2x5a s VAL 366 CO 0.17 0.19 1.34 -0.70 0.00 0.00 0.00 175.10 176.10 2x5a s GLU 367 N 1.60 4.35 0.00 2.72 2.12 -0.86 -1.45 118.70 127.17 2x5a s GLU 367 Ca 0.01 2.19 0.21 0.00 0.36 0.00 0.00 54.97 57.74 2x5a s GLU 367 Cb -0.15 -3.12 0.05 0.00 0.26 0.00 0.00 34.13 31.17 2x5a s GLU 367 CO -0.08 -0.26 1.07 0.43 -0.54 0.00 0.00 175.26 175.88 2x5a n SER 368 N 1.74 2.20 0.00 -1.70 7.64 -1.07 -4.66 113.62 117.78 2x5a n SER 368 Ca 0.04 -1.60 0.00 0.00 1.01 0.00 0.00 58.87 58.31 2x5a n SER 368 Cb 0.42 0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 2x5a n SER 368 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x5a n GLY 369 N 1.30 0.06 3.90 0.23 0.00 -1.26 -4.98 105.19 104.45 2x5a n GLY 369 Ca 0.10 -1.00 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 2x5a n GLY 369 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2x5a n ASP 370 N 2.31 -3.56 0.06 1.61 2.03 -1.26 -4.96 116.55 112.77 2x5a n ASP 370 Ca 0.00 -0.82 -0.12 0.00 0.52 0.00 0.00 54.79 54.37 2x5a n ASP 370 Cb 0.00 -3.77 -0.08 0.00 -0.72 0.00 0.00 41.12 36.55 2x5a n ASP 370 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2x5a h LYS 371 N -1.98 -0.20 -0.01 -0.67 3.64 -1.97 -3.54 116.57 111.86 2x5a h LYS 371 Ca -0.59 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 2x5a h LYS 371 Cb 1.37 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 2x5a h LYS 371 CO 0.65 0.24 0.00 -0.35 -2.27 0.00 0.00 179.45 177.73