#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhw n VAL 3 N 0.00 0.19 -2.92 2.46 0.31 -1.26 -5.08 118.33 112.02 3hhw n VAL 3 Ca 0.00 0.06 -0.41 0.00 -0.01 0.00 0.00 64.34 63.98 3hhw n VAL 3 Cb 0.00 -0.59 -0.04 0.00 -0.91 0.00 0.00 33.84 32.30 3hhw n VAL 3 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3hhw s THR 4 N -1.41 4.94 -0.19 2.52 -4.23 -1.26 -4.94 115.64 111.07 3hhw s THR 4 Ca 0.00 1.62 -0.01 0.00 -1.18 0.00 0.00 61.69 62.12 3hhw s THR 4 Cb 0.00 -4.13 0.01 0.00 1.34 0.00 0.00 72.50 69.72 3hhw s THR 4 CO 0.00 0.14 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.38 3hhw s VAL 5 N 1.45 2.56 0.03 2.29 1.01 -1.25 -5.09 120.40 121.40 3hhw s VAL 5 Ca 0.40 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 3hhw s VAL 5 Cb -0.18 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 3hhw s VAL 5 CO 0.17 0.50 0.23 -0.54 0.00 0.00 0.00 175.10 175.46 3hhw s LYS 6 N 1.34 3.49 -0.10 2.72 3.01 -1.26 -1.56 119.74 127.38 3hhw s LYS 6 Ca 0.05 -0.28 -0.22 0.00 -1.01 0.00 0.00 55.97 54.51 3hhw s LYS 6 Cb -0.14 -3.05 -0.04 0.00 -1.01 0.00 0.00 37.83 33.60 3hhw s LYS 6 CO -0.09 0.63 0.65 0.50 0.51 0.00 0.00 175.35 177.55 3hhw s ARG 7 N -2.15 4.39 0.42 1.68 3.52 -0.18 -4.93 118.95 121.69 3hhw s ARG 7 Ca 0.31 0.77 0.16 0.00 -0.13 0.00 0.00 55.73 56.84 3hhw s ARG 7 Cb -0.13 -3.47 0.92 0.00 -1.56 0.00 0.00 34.95 30.71 3hhw s ARG 7 CO 0.22 0.03 1.90 -0.84 -0.81 0.00 0.00 175.30 175.80 3hhw h ILE 8 N 4.82 1.07 0.28 4.11 -0.00 -1.98 -2.07 117.51 123.74 3hhw h ILE 8 Ca -0.39 -1.02 -0.01 0.00 -0.00 0.00 0.00 64.86 63.43 3hhw h ILE 8 Cb 1.18 1.57 0.00 0.00 -0.00 0.00 0.00 36.82 39.58 3hhw h ILE 8 CO 0.76 0.28 -0.13 0.40 -0.00 0.00 0.00 178.15 179.45 3hhw h ILE 9 N 0.00 0.28 -0.16 0.16 5.03 -1.97 -3.37 117.51 117.48 3hhw h ILE 9 Ca -0.00 -0.83 0.00 0.00 -0.12 0.00 0.00 64.86 63.91 3hhw h ILE 9 Cb 0.55 0.48 0.00 0.00 -3.03 0.00 0.00 36.82 34.82 3hhw h ILE 9 CO 0.04 0.07 0.00 -0.90 -0.68 0.00 0.00 178.15 176.68 3hhw n ASP 10 N -5.03 2.37 -3.69 1.72 3.85 -1.25 -5.00 116.55 109.52 3hhw n ASP 10 Ca -0.06 -1.70 -0.25 0.00 -0.71 0.00 0.00 54.79 52.07 3hhw n ASP 10 Cb 0.21 -0.10 0.06 0.00 -1.35 0.00 0.00 41.12 39.94 3hhw n ASP 10 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 3hhw n ASN 11 N 0.57 -4.88 -4.87 -1.12 5.15 -0.78 -5.01 115.26 104.33 3hhw n ASN 11 Ca 0.09 -0.65 -0.34 0.00 -0.60 0.00 0.00 54.58 53.08 3hhw n ASN 11 Cb 0.34 -4.60 -0.05 0.00 -0.53 0.00 0.00 39.78 34.94 3hhw n ASN 11 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3hhw s THR 12 N -3.35 5.06 -0.10 -0.44 2.01 -1.25 -4.87 115.64 112.70 3hhw s THR 12 Ca 0.48 0.41 -0.23 0.00 0.31 0.00 0.00 61.69 62.67 3hhw s THR 12 Cb -0.23 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 3hhw s THR 12 CO 0.77 0.18 0.68 -0.69 -0.69 0.00 0.00 174.62 174.86 3hhw s VAL 13 N -1.52 5.05 -0.08 3.82 1.01 -1.26 -1.01 120.40 126.41 3hhw s VAL 13 Ca 0.37 1.37 0.02 0.00 0.00 0.00 0.00 61.98 63.74 3hhw s VAL 13 Cb -0.13 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 3hhw s VAL 13 CO 0.20 0.23 -0.12 -0.51 0.00 0.00 0.00 175.10 174.90 3hhw s ILE 14 N 1.01 3.22 -0.46 2.22 2.07 -0.60 -4.98 121.20 123.69 3hhw s ILE 14 Ca 0.35 -0.64 -0.03 0.00 -1.41 0.00 0.00 60.65 58.92 3hhw s ILE 14 Cb -0.17 -2.31 0.12 0.00 0.13 0.00 0.00 42.46 40.23 3hhw s ILE 14 CO 0.16 0.57 0.26 -0.69 -1.91 0.00 0.00 174.94 173.32 3hhw s VAL 15 N -0.39 3.36 0.02 4.00 1.01 -1.26 -3.89 120.40 123.25 3hhw s VAL 15 Ca 0.05 -2.28 -0.30 0.00 0.00 0.00 0.00 61.98 59.44 3hhw s VAL 15 Cb -0.12 -3.28 -0.07 0.00 0.00 0.00 0.00 36.38 32.91 3hhw s VAL 15 CO 0.02 -0.73 1.54 -2.84 0.00 0.00 0.00 175.10 173.08 3hhw s PRO 16 N 0.85 4.23 0.13 2.72 0.02 -1.26 -5.01 135.00 136.68 3hhw s PRO 16 Ca 0.10 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.27 3hhw s PRO 16 Cb -0.22 -3.62 -0.04 0.00 0.02 0.00 0.00 34.50 30.63 3hhw s PRO 16 CO -0.04 -0.67 0.02 0.15 -0.33 0.00 0.00 177.00 176.12 3hhw s LYS 17 N 2.67 0.93 0.06 5.54 1.02 -1.26 -5.18 119.74 123.53 3hhw s LYS 17 Ca 0.69 -1.43 0.01 0.00 0.02 0.00 0.00 55.97 55.26 3hhw s LYS 17 Cb -0.35 0.04 -0.03 0.00 -0.52 0.00 0.00 37.83 36.97 3hhw s LYS 17 CO 0.29 -0.18 -0.06 -0.51 -0.92 0.00 0.00 175.35 173.98 3hhw s LEU 18 N -3.07 2.38 0.27 3.17 1.43 -1.26 -5.14 118.68 116.47 3hhw s LEU 18 Ca 0.21 -0.77 -0.30 0.00 -1.03 0.00 0.00 54.13 52.23 3hhw s LEU 18 Cb 0.07 -0.01 -0.14 0.00 0.03 0.00 0.00 46.19 46.14 3hhw s LEU 18 CO 0.00 -0.38 1.23 -2.65 0.23 0.00 0.00 176.35 174.78 3hhw n PRO 19 N 0.74 1.75 -2.71 1.29 -0.02 -1.26 -4.94 135.00 129.86 3hhw n PRO 19 Ca -0.18 0.62 -0.43 0.00 -2.02 0.00 0.00 63.50 61.49 3hhw n PRO 19 Cb 0.58 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 3hhw n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hhw s ALA 20 N -0.64 3.50 -0.54 3.55 0.00 -1.26 -4.98 121.76 121.39 3hhw s ALA 20 Ca 0.63 -0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.46 3hhw s ALA 20 Cb -0.67 -3.60 0.14 0.00 0.00 0.00 0.00 23.12 18.99 3hhw s ALA 20 CO 0.56 -1.44 0.29 1.21 0.00 0.00 0.00 175.76 176.38 3hhw s ASN 21 N 1.66 4.50 -0.26 0.00 3.04 -1.26 -5.05 114.94 117.57 3hhw s ASN 21 Ca 0.43 -2.97 -0.03 0.00 0.04 0.00 0.00 52.86 50.32 3hhw s ASN 21 Cb -0.13 -1.68 0.09 0.00 -1.54 0.00 0.00 41.25 37.99 3hhw s ASN 21 CO 0.15 -0.26 0.10 -1.61 -3.04 0.00 0.00 177.10 172.44 3hhw s GLU 22 N -0.23 0.37 -0.30 0.43 2.02 -1.26 -5.08 118.70 114.64 3hhw s GLU 22 Ca 0.17 -0.55 0.04 0.00 0.02 0.00 0.00 54.97 54.64 3hhw s GLU 22 Cb -0.25 -1.65 0.08 0.00 0.10 0.00 0.00 34.13 32.42 3hhw s GLU 22 CO -0.01 -0.88 -0.03 0.16 0.02 0.00 0.00 175.26 174.53 3hhw s ASP 23 N 1.95 4.62 0.15 -0.19 -4.77 -1.26 -5.10 116.67 112.07 3hhw s ASP 23 Ca 0.06 -1.80 -0.31 0.00 -3.30 0.00 0.00 52.55 47.20 3hhw s ASP 23 Cb -0.16 -1.59 -0.10 0.00 -1.09 0.00 0.00 42.92 39.98 3hhw s ASP 23 CO -0.24 -0.29 1.56 -2.84 0.70 0.00 0.00 175.17 174.06 3hhw s PRO 24 N 1.00 4.22 0.63 2.11 0.02 -1.26 -4.97 135.00 136.75 3hhw s PRO 24 Ca 0.01 2.33 -0.19 0.00 0.02 0.00 0.00 61.00 63.18 3hhw s PRO 24 Cb -0.19 -3.22 -0.02 0.00 0.02 0.00 0.00 34.50 31.09 3hhw s PRO 24 CO -0.07 -0.61 1.30 1.55 -0.33 0.00 0.00 177.00 178.85 3hhw n VAL 25 N 4.06 4.74 -3.79 3.83 3.14 -1.26 -4.97 118.33 124.08 3hhw n VAL 25 Ca 0.14 -0.50 -0.37 0.00 -2.96 0.00 0.00 64.34 60.65 3hhw n VAL 25 Cb 0.39 -1.52 -0.13 0.00 -1.06 0.00 0.00 33.84 31.53 3hhw n VAL 25 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 3hhw s GLU 26 N -3.27 2.79 0.31 1.45 2.02 -0.17 -5.00 118.70 116.84 3hhw s GLU 26 Ca 0.81 -1.05 -0.20 0.00 0.02 0.00 0.00 54.97 54.54 3hhw s GLU 26 Cb -0.39 -3.35 -0.09 0.00 0.10 0.00 0.00 34.13 30.40 3hhw s GLU 26 CO 0.42 -0.55 0.83 0.71 0.02 0.00 0.00 175.26 176.68 3hhw s TYR 27 N 1.41 3.53 0.19 1.61 2.02 -1.26 -4.33 117.35 120.52 3hhw s TYR 27 Ca -0.00 1.49 -0.11 0.00 -0.37 0.00 0.00 57.07 58.08 3hhw s TYR 27 Cb -0.18 -2.72 0.12 0.00 -0.40 0.00 0.00 41.96 38.77 3hhw s TYR 27 CO 0.02 0.16 1.81 -1.35 -1.57 0.00 0.00 175.55 174.62 3hhw h PRO 28 N 2.79 0.95 -0.11 -1.71 0.11 -1.93 -2.89 132.00 129.22 3hhw h PRO 28 Ca -0.48 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 65.52 3hhw h PRO 28 Cb 1.19 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3hhw h PRO 28 CO 0.64 0.71 0.05 0.00 -0.21 0.00 0.00 178.00 179.19 3hhw h ALA 29 N 1.19 1.88 0.00 -0.75 0.00 -1.90 -2.45 119.26 117.24 3hhw h ALA 29 Ca 0.24 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3hhw h ALA 29 Cb 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3hhw h ALA 29 CO -0.04 0.10 -0.10 -0.44 0.00 0.00 0.00 179.25 178.77 3hhw h ASP 30 N 0.15 0.00 -0.63 0.00 3.32 -1.88 -2.76 116.42 114.62 3hhw h ASP 30 Ca 0.04 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3hhw h ASP 30 Cb 0.02 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3hhw h ASP 30 CO -0.01 0.10 0.26 0.22 -1.72 0.00 0.00 179.24 178.09 3hhw h TYR 31 N 0.00 0.95 -0.08 4.55 3.20 -1.56 -2.62 116.97 121.40 3hhw h TYR 31 Ca -0.00 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.80 3hhw h TYR 31 Cb 0.41 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.40 3hhw h TYR 31 CO 0.00 0.75 0.00 1.19 -1.64 0.00 0.00 178.16 178.46 3hhw n PHE 32 N -4.44 0.11 0.13 -3.82 3.72 -1.04 -2.18 117.46 109.93 3hhw n PHE 32 Ca 0.04 -0.05 0.10 0.00 -0.05 0.00 0.00 57.45 57.49 3hhw n PHE 32 Cb 0.16 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.74 3hhw n PHE 32 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3hhw h ARG 33 N 0.55 0.00 0.00 -1.08 2.43 -1.51 -3.40 114.38 111.37 3hhw h ARG 33 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3hhw h ARG 33 Cb 0.12 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3hhw h ARG 33 CO 0.00 0.05 -1.08 1.63 -1.51 0.00 0.00 179.97 179.06 3hhw n LYS 34 N -2.83 2.13 -4.35 0.20 5.02 -1.12 -5.07 118.16 112.15 3hhw n LYS 34 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.04 3hhw n LYS 34 Cb 0.58 -1.03 -0.12 0.00 -0.02 0.00 0.00 35.03 34.44 3hhw n LYS 34 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3hhw s SER 35 N -3.59 2.95 0.00 4.39 0.15 -0.93 -5.04 113.70 111.63 3hhw s SER 35 Ca -0.01 -0.76 0.05 0.00 0.70 0.00 0.00 55.95 55.93 3hhw s SER 35 Cb 0.00 -0.19 0.09 0.00 -1.71 0.00 0.00 66.02 64.22 3hhw s SER 35 CO 0.04 0.10 0.89 0.29 1.20 0.00 0.00 173.24 175.76 3hhw n LYS 36 N 0.81 1.33 -3.78 5.44 5.02 -1.26 -4.13 118.16 121.58 3hhw n LYS 36 Ca -0.17 -1.29 -0.13 0.00 -2.02 0.00 0.00 58.31 54.70 3hhw n LYS 36 Cb 0.54 -1.12 -0.11 0.00 -0.02 0.00 0.00 35.03 34.32 3hhw n LYS 36 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3hhw s GLU 37 N -0.72 0.34 -0.51 1.97 -1.05 -1.26 -5.00 118.70 112.46 3hhw s GLU 37 Ca 0.09 0.31 -0.17 0.00 -0.15 0.00 0.00 54.97 55.04 3hhw s GLU 37 Cb 0.05 0.16 0.08 0.00 -0.44 0.00 0.00 34.13 33.98 3hhw s GLU 37 CO 0.07 -0.05 0.53 0.42 0.95 0.00 0.00 175.26 177.19 3hhw s ILE 38 N -0.00 5.05 0.09 1.83 1.01 -1.26 -5.05 121.20 122.87 3hhw s ILE 38 Ca -0.01 -0.94 -0.30 0.00 0.00 0.00 0.00 60.65 59.39 3hhw s ILE 38 Cb -0.02 -4.27 -0.06 0.00 0.01 0.00 0.00 42.46 38.11 3hhw s ILE 38 CO 0.01 -0.79 1.16 -2.84 0.00 0.00 0.00 174.94 172.48 3hhw s PRO 39 N 2.12 4.48 -0.71 2.79 0.02 -1.26 -4.36 135.00 138.07 3hhw s PRO 39 Ca 0.09 1.74 -0.02 0.00 0.02 0.00 0.00 61.00 62.82 3hhw s PRO 39 Cb -0.24 -3.33 0.18 0.00 0.02 0.00 0.00 34.50 31.13 3hhw s PRO 39 CO 0.08 -0.16 0.55 -1.17 -0.33 0.00 0.00 177.00 175.97 3hhw s LEU 40 N 0.64 5.31 -1.16 -5.54 0.20 -0.81 -4.99 118.68 112.32 3hhw s LEU 40 Ca 0.56 -3.18 -0.23 0.00 0.69 0.00 0.00 54.13 51.97 3hhw s LEU 40 Cb -0.29 -1.86 -0.07 0.00 -0.43 0.00 0.00 46.19 43.54 3hhw s LEU 40 CO 0.31 -0.30 1.92 -0.31 -0.29 0.00 0.00 176.35 177.68 3hhw s TYR 41 N -0.54 2.00 -1.23 5.38 1.51 -1.26 -2.77 117.35 120.44 3hhw s TYR 41 Ca 0.21 0.32 0.30 0.00 -1.01 0.00 0.00 57.07 56.89 3hhw s TYR 41 Cb -0.16 -4.06 1.38 0.00 -0.11 0.00 0.00 41.96 39.01 3hhw s TYR 41 CO -0.07 -1.31 1.99 1.51 -1.11 0.00 0.00 175.55 176.56 3hhw n ILE 42 N 7.70 0.00 -0.44 2.71 0.13 -1.17 -4.88 119.36 123.42 3hhw n ILE 42 Ca 0.44 -0.00 0.00 0.00 -1.10 0.00 0.00 62.75 62.09 3hhw n ILE 42 Cb 0.47 -0.48 0.00 0.00 -0.84 0.00 0.00 39.64 38.78 3hhw n ILE 42 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 3hhw n ASN 43 N -1.38 0.00 -4.52 9.51 3.02 -1.26 -4.55 115.26 116.08 3hhw n ASN 43 Ca 0.11 0.00 -0.49 0.00 -0.03 0.00 0.00 54.58 54.17 3hhw n ASN 43 Cb 0.29 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.42 3hhw n ASN 43 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3hhw n THR 44 N 0.00 1.32 -3.04 3.41 -1.04 -1.26 -4.85 114.28 108.82 3hhw n THR 44 Ca 0.00 -0.33 -0.17 0.00 -2.04 0.00 0.00 64.05 61.51 3hhw n THR 44 Cb 0.00 -0.54 -0.02 0.00 -1.82 0.00 0.00 70.33 67.95 3hhw n THR 44 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 3hhw n THR 45 N 0.81 -0.34 -3.76 12.58 5.66 -1.26 -4.55 114.28 123.42 3hhw n THR 45 Ca 0.15 -3.29 -0.29 0.00 -3.05 0.00 0.00 64.05 57.58 3hhw n THR 45 Cb 0.24 -0.40 -0.16 0.00 -1.55 0.00 0.00 70.33 68.46 3hhw n THR 45 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3hhw s LYS 46 N -0.87 0.82 -0.02 1.09 1.02 -1.26 -5.02 119.74 115.50 3hhw s LYS 46 Ca 0.34 -0.76 -0.02 0.00 0.02 0.00 0.00 55.97 55.55 3hhw s LYS 46 Cb 0.24 -2.13 0.01 0.00 -0.52 0.00 0.00 37.83 35.43 3hhw s LYS 46 CO -0.13 -0.77 0.04 0.45 -0.92 0.00 0.00 175.35 174.02 3hhw n SER 47 N 4.92 -5.88 -0.05 2.83 2.88 -1.26 -4.63 113.62 112.43 3hhw n SER 47 Ca -0.07 1.21 -0.07 0.00 -1.33 0.00 0.00 58.87 58.61 3hhw n SER 47 Cb 0.45 -3.91 0.11 0.00 -0.75 0.00 0.00 64.21 60.11 3hhw n SER 47 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3hhw h LEU 48 N 2.90 0.70 -1.03 2.46 5.85 -1.96 -2.28 115.31 121.96 3hhw h LEU 48 Ca -0.08 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.32 3hhw h LEU 48 Cb 0.19 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3hhw h LEU 48 CO 0.00 0.94 0.10 -1.28 -0.34 0.00 0.00 178.44 177.86 3hhw h SER 49 N 0.59 0.75 0.07 1.25 0.87 -1.98 0.81 113.55 115.91 3hhw h SER 49 Ca 0.08 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 3hhw h SER 49 Cb 0.77 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 3hhw h SER 49 CO 0.06 0.75 -0.04 0.44 -0.53 0.00 0.00 176.83 177.52 3hhw h ASP 50 N 0.76 -0.09 -0.97 6.23 3.32 -1.86 -3.09 116.42 120.73 3hhw h ASP 50 Ca 0.17 -0.40 0.09 0.00 0.02 0.00 0.00 57.03 56.91 3hhw h ASP 50 Cb 0.32 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 39.82 3hhw h ASP 50 CO 0.00 0.37 0.61 -0.07 -1.72 0.00 0.00 179.24 178.43 3hhw h LEU 51 N -0.56 0.93 -0.54 1.55 3.38 -1.21 -0.81 115.31 118.05 3hhw h LEU 51 Ca -0.01 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.08 3hhw h LEU 51 Cb 0.48 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 3hhw h LEU 51 CO 0.02 0.54 0.17 -0.09 0.09 0.00 0.00 178.44 179.17 3hhw h ARG 52 N 1.03 0.32 -0.35 1.13 2.43 -0.89 -0.93 114.38 117.13 3hhw h ARG 52 Ca 0.46 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.44 3hhw h ARG 52 Cb 0.34 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3hhw h ARG 52 CO -0.23 0.21 -0.43 0.78 -1.51 0.00 0.00 179.97 178.79 3hhw h GLY 53 N 0.33 0.99 1.04 2.80 0.00 -1.17 -1.57 103.07 105.50 3hhw h GLY 53 Ca 0.27 -1.05 -0.04 0.00 0.00 0.00 0.00 47.33 46.50 3hhw h GLY 53 CO -0.30 0.95 0.33 -0.97 0.00 0.00 0.00 176.54 176.55 3hhw h TYR 54 N 0.73 1.18 -0.01 5.60 0.05 -0.94 -2.97 116.97 120.61 3hhw h TYR 54 Ca 0.05 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 3hhw h TYR 54 Cb 1.03 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 38.41 3hhw h TYR 54 CO 0.06 0.88 -0.02 0.28 -1.05 0.00 0.00 178.16 178.32 3hhw h VAL 55 N 1.13 1.49 -0.61 -2.88 2.07 -1.15 -2.42 116.25 113.87 3hhw h VAL 55 Ca 0.26 -1.47 0.09 0.00 0.82 0.00 0.00 66.70 66.41 3hhw h VAL 55 Cb 0.19 2.46 -0.07 0.00 -1.52 0.00 0.00 31.29 32.36 3hhw h VAL 55 CO -0.02 0.38 0.25 0.22 0.02 0.00 0.00 177.57 178.42 3hhw h TYR 56 N -0.58 0.44 0.00 1.57 3.20 -1.30 -1.04 116.97 119.26 3hhw h TYR 56 Ca -0.00 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.73 3hhw h TYR 56 Cb 0.64 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 3hhw h TYR 56 CO 0.14 0.13 -0.81 1.96 -1.64 0.00 0.00 178.16 177.95 3hhw h GLN 57 N 0.44 0.00 -0.44 1.82 1.08 -1.65 -3.06 115.11 113.31 3hhw h GLN 57 Ca 0.31 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.44 3hhw h GLN 57 Cb 0.35 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 3hhw h GLN 57 CO -0.29 0.81 0.01 0.78 -0.95 0.00 0.00 178.83 179.19 3hhw h GLY 58 N 2.65 0.77 1.58 3.46 0.00 -0.72 0.37 103.07 111.18 3hhw h GLY 58 Ca -0.01 -0.49 -0.25 0.00 0.00 0.00 0.00 47.33 46.59 3hhw h GLY 58 CO 0.10 0.45 -1.09 1.41 0.00 0.00 0.00 176.54 177.42 3hhw h LEU 59 N 0.67 0.49 -0.38 3.11 3.38 -1.32 0.50 115.31 121.77 3hhw h LEU 59 Ca 0.14 -0.45 -0.14 0.00 0.09 0.00 0.00 57.88 57.52 3hhw h LEU 59 Cb 0.40 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3hhw h LEU 59 CO 0.01 1.29 -0.31 0.11 0.09 0.00 0.00 178.44 179.64 3hhw h LYS 60 N 0.16 0.88 -0.01 1.13 1.57 -1.38 -3.14 116.57 115.77 3hhw h LYS 60 Ca -0.11 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 3hhw h LYS 60 Cb 1.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.08 3hhw h LYS 60 CO 0.18 1.08 -0.16 0.43 -0.57 0.00 0.00 179.45 180.42 3hhw n SER 61 N -4.15 0.81 -1.88 0.86 7.64 0.13 -4.89 113.62 112.14 3hhw n SER 61 Ca -0.02 -0.83 -0.15 0.00 1.01 0.00 0.00 58.87 58.89 3hhw n SER 61 Cb 0.50 0.03 0.01 0.00 -1.01 0.00 0.00 64.21 63.73 3hhw n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hhw n GLY 62 N 1.29 -0.16 2.74 0.23 0.00 -0.64 -4.98 105.19 103.66 3hhw n GLY 62 Ca 0.14 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 3hhw n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hhw s ASN 63 N -2.62 0.43 -0.07 1.61 2.47 0.17 -4.91 114.94 112.02 3hhw s ASN 63 Ca 0.12 -1.82 0.03 0.00 0.42 0.00 0.00 52.86 51.60 3hhw s ASN 63 Cb -0.05 0.77 0.01 0.00 -1.45 0.00 0.00 41.25 40.53 3hhw s ASN 63 CO 0.14 -0.19 -0.16 0.54 -3.72 0.00 0.00 177.10 173.71 3hhw s VAL 64 N 1.09 1.43 0.21 -5.21 0.11 -1.20 -4.47 120.40 112.37 3hhw s VAL 64 Ca 0.22 -0.66 -0.30 0.00 -2.93 0.00 0.00 61.98 58.31 3hhw s VAL 64 Cb -0.08 -1.27 -0.09 0.00 -1.53 0.00 0.00 36.38 33.42 3hhw s VAL 64 CO -0.07 0.42 1.20 -0.55 -3.33 0.00 0.00 175.10 172.78 3hhw s SER 65 N 0.45 7.07 0.42 3.54 0.15 -1.26 -4.93 113.70 119.14 3hhw s SER 65 Ca -0.13 2.29 0.16 0.00 0.70 0.00 0.00 55.95 58.97 3hhw s SER 65 Cb -0.15 -2.61 0.92 0.00 -1.71 0.00 0.00 66.02 62.47 3hhw s SER 65 CO 0.05 -0.37 1.91 -0.29 1.20 0.00 0.00 173.24 175.74 3hhw h ILE 66 N 3.59 1.09 -0.34 6.45 6.09 -1.99 -2.42 117.51 129.98 3hhw h ILE 66 Ca -0.45 -0.97 -0.01 0.00 -1.37 0.00 0.00 64.86 62.05 3hhw h ILE 66 Cb 1.21 1.54 -0.02 0.00 0.47 0.00 0.00 36.82 40.03 3hhw h ILE 66 CO 0.73 0.27 0.16 0.40 -3.07 0.00 0.00 178.15 176.64 3hhw h ILE 67 N 0.00 1.17 -0.68 2.19 2.04 -1.98 0.59 117.51 120.84 3hhw h ILE 67 Ca -0.00 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.40 3hhw h ILE 67 Cb 0.52 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 3hhw h ILE 67 CO 0.04 0.17 0.43 0.45 0.00 0.00 0.00 178.15 179.24 3hhw h HIS 68 N 0.41 0.82 -0.40 1.37 3.86 -1.89 -1.27 115.15 118.05 3hhw h HIS 68 Ca 0.12 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 3hhw h HIS 68 Cb 0.13 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 3hhw h HIS 68 CO -0.01 0.49 0.17 0.28 0.86 0.00 0.00 177.93 179.71 3hhw h VAL 69 N 0.87 1.19 -0.48 2.45 2.07 -1.15 -0.94 116.25 120.26 3hhw h VAL 69 Ca 0.26 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3hhw h VAL 69 Cb -0.04 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3hhw h VAL 69 CO -0.08 0.21 0.31 0.78 0.02 0.00 0.00 177.57 178.80 3hhw h ASN 70 N 0.50 0.55 -0.44 0.57 4.21 -0.69 -0.67 115.58 119.62 3hhw h ASN 70 Ca 0.13 -0.03 -0.09 0.00 1.21 0.00 0.00 56.30 57.52 3hhw h ASN 70 Cb 0.16 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 37.20 3hhw h ASN 70 CO -0.01 0.42 -0.06 0.28 -1.29 0.00 0.00 177.43 176.77 3hhw h SER 71 N 0.64 0.86 -0.00 5.81 0.02 -1.12 -0.89 113.55 118.86 3hhw h SER 71 Ca 0.17 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3hhw h SER 71 Cb -0.05 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.26 3hhw h SER 71 CO -0.04 0.95 -0.00 0.22 -1.14 0.00 0.00 176.83 176.83 3hhw h TYR 72 N 0.80 0.01 -0.92 3.45 3.20 -0.95 -2.62 116.97 119.93 3hhw h TYR 72 Ca 0.14 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.04 3hhw h TYR 72 Cb 0.56 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.78 3hhw h TYR 72 CO 0.03 0.32 0.60 -0.07 -1.64 0.00 0.00 178.16 177.41 3hhw h LEU 73 N -0.31 1.01 0.26 2.82 3.38 -1.04 -1.86 115.31 119.56 3hhw h LEU 73 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3hhw h LEU 73 Cb 0.32 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3hhw h LEU 73 CO 0.00 0.70 -0.12 0.22 0.09 0.00 0.00 178.44 179.33 3hhw h TYR 74 N 1.17 -0.32 0.00 1.13 3.20 -1.14 -2.28 116.97 118.74 3hhw h TYR 74 Ca 0.36 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 3hhw h TYR 74 Cb -0.02 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 3hhw h TYR 74 CO -0.00 -0.17 -0.05 0.78 -1.64 0.00 0.00 178.16 177.08 3hhw h GLY 75 N -0.38 0.00 1.21 1.82 0.00 -1.17 0.32 103.07 104.87 3hhw h GLY 75 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.00 3hhw h GLY 75 CO 0.06 0.00 -1.55 0.00 0.00 0.00 0.00 176.54 175.05 3hhw h ALA 76 N 1.95 0.43 -0.01 3.60 0.00 -1.19 -3.36 119.26 120.67 3hhw h ALA 76 Ca -0.00 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 53.70 3hhw h ALA 76 Cb 0.30 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3hhw h ALA 76 CO 0.01 1.29 -0.47 1.28 0.00 0.00 0.00 179.25 181.35 3hhw n LEU 77 N -3.33 1.72 -0.32 0.00 4.77 -0.87 -4.63 117.00 114.34 3hhw n LEU 77 Ca -0.16 -0.73 0.20 0.00 -0.03 0.00 0.00 56.01 55.29 3hhw n LEU 77 Cb 1.03 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 42.52 3hhw n LEU 77 CO 0.48 0.33 1.00 0.50 -1.33 0.00 0.00 177.39 178.37 3hhw h LYS 78 N 1.86 0.19 -0.01 3.23 1.63 -0.51 -2.53 116.57 120.43 3hhw h LYS 78 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3hhw h LYS 78 Cb 0.63 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 3hhw h LYS 78 CO 0.00 0.12 -0.47 -0.25 -3.45 0.00 0.00 179.45 175.40 3hhw n ASP 79 N -5.21 1.64 -4.68 4.20 8.00 -1.26 -4.83 116.55 114.41 3hhw n ASP 79 Ca 0.28 -1.28 -0.49 0.00 0.71 0.00 0.00 54.79 54.01 3hhw n ASP 79 Cb 0.88 0.44 -0.05 0.00 -0.02 0.00 0.00 41.12 42.37 3hhw n ASP 79 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3hhw n ILE 80 N -0.36 0.44 -4.58 0.53 2.08 -0.95 -4.98 119.36 111.54 3hhw n ILE 80 Ca 0.09 -0.08 -0.26 0.00 0.56 0.00 0.00 62.75 63.06 3hhw n ILE 80 Cb 0.42 -1.75 -0.14 0.00 -0.75 0.00 0.00 39.64 37.43 3hhw n ILE 80 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 3hhw s ARG 81 N 3.37 1.40 -0.02 0.38 1.81 -1.26 -3.74 118.95 120.90 3hhw s ARG 81 Ca 0.90 -1.07 0.00 0.00 -1.72 0.00 0.00 55.73 53.85 3hhw s ARG 81 Cb -0.72 -1.60 0.02 0.00 -0.45 0.00 0.00 34.95 32.20 3hhw s ARG 81 CO 0.50 0.40 0.02 0.20 -0.68 0.00 0.00 175.30 175.73 3hhw s GLY 82 N -1.45 0.09 -0.25 -3.53 0.00 0.16 -4.92 107.32 97.42 3hhw s GLY 82 Ca 0.09 0.20 -0.18 0.00 0.00 0.00 0.00 44.72 44.83 3hhw s GLY 82 CO 0.03 0.48 0.50 1.25 0.00 0.00 0.00 173.10 175.35 3hhw s LYS 83 N 0.75 4.08 0.39 2.90 2.20 -1.26 -0.51 119.74 128.30 3hhw s LYS 83 Ca -0.06 0.30 -0.23 0.00 -0.36 0.00 0.00 55.97 55.62 3hhw s LYS 83 Cb -0.09 -3.64 -0.10 0.00 -1.51 0.00 0.00 37.83 32.49 3hhw s LYS 83 CO -0.02 -0.31 0.96 -0.51 -0.36 0.00 0.00 175.35 175.11 3hhw s LEU 84 N 2.16 4.09 -0.25 5.43 1.43 -0.16 -4.98 118.68 126.41 3hhw s LEU 84 Ca 0.21 1.78 -0.16 0.00 -1.03 0.00 0.00 54.13 54.92 3hhw s LEU 84 Cb -0.16 -4.33 -0.13 0.00 0.03 0.00 0.00 46.19 41.60 3hhw s LEU 84 CO 0.09 -0.28 -0.19 0.47 0.23 0.00 0.00 176.35 176.67 3hhw n ASP 85 N -0.18 1.93 -4.97 2.29 8.00 -1.24 -4.05 116.55 118.33 3hhw n ASP 85 Ca 0.05 0.37 -0.21 0.00 0.71 0.00 0.00 54.79 55.71 3hhw n ASP 85 Cb 0.52 -0.86 0.02 0.00 -0.02 0.00 0.00 41.12 40.79 3hhw n ASP 85 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3hhw s LYS 86 N -2.49 2.42 0.66 -1.24 1.02 -1.25 -4.55 119.74 114.30 3hhw s LYS 86 Ca -0.35 -1.65 -0.15 0.00 0.02 0.00 0.00 55.97 53.84 3hhw s LYS 86 Cb 0.11 -2.49 -0.00 0.00 -0.52 0.00 0.00 37.83 34.94 3hhw s LYS 86 CO 0.50 -0.59 1.11 -0.51 -0.92 0.00 0.00 175.35 174.95 3hhw s ASP 87 N -4.43 5.09 -0.21 2.83 1.01 -1.26 -4.24 116.67 115.46 3hhw s ASP 87 Ca 0.52 2.02 -0.00 0.00 0.71 0.00 0.00 52.55 55.79 3hhw s ASP 87 Cb -0.05 -2.55 0.05 0.00 1.01 0.00 0.00 42.92 41.38 3hhw s ASP 87 CO 0.32 -1.64 -0.04 0.86 0.21 0.00 0.00 175.17 174.88 3hhw s TRP 88 N -2.31 1.92 0.03 4.23 -0.11 -0.87 -4.98 118.94 116.86 3hhw s TRP 88 Ca 0.67 -1.38 0.03 0.00 1.22 0.00 0.00 56.10 56.64 3hhw s TRP 88 Cb -0.21 -1.39 -0.02 0.00 -1.50 0.00 0.00 33.47 30.35 3hhw s TRP 88 CO 0.41 -0.70 -0.09 -1.12 -4.62 0.00 0.00 176.95 170.83 3hhw s SER 89 N 1.56 1.05 -0.09 5.86 0.01 -1.26 -0.25 113.70 120.57 3hhw s SER 89 Ca -0.03 -0.40 -0.04 0.00 1.31 0.00 0.00 55.95 56.79 3hhw s SER 89 Cb -0.17 -0.04 0.05 0.00 0.21 0.00 0.00 66.02 66.06 3hhw s SER 89 CO -0.07 -0.06 0.20 -0.55 0.41 0.00 0.00 173.24 173.18 3hhw s SER 90 N -1.05 -0.05 -1.43 2.44 0.15 -0.98 -4.91 113.70 107.87 3hhw s SER 90 Ca -0.03 0.43 -0.02 0.00 0.70 0.00 0.00 55.95 57.03 3hhw s SER 90 Cb -0.07 0.34 0.02 0.00 -1.71 0.00 0.00 66.02 64.60 3hhw s SER 90 CO 0.01 -0.17 0.49 0.49 1.20 0.00 0.00 173.24 175.25 3hhw n PHE 91 N 4.44 -1.69 0.00 3.44 3.72 -1.26 -1.93 117.46 124.18 3hhw n PHE 91 Ca -0.22 0.76 0.00 0.00 -0.05 0.00 0.00 57.45 57.94 3hhw n PHE 91 Cb 0.52 -3.71 0.00 0.00 -0.94 0.00 0.00 39.48 35.34 3hhw n PHE 91 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hhw n GLY 92 N -1.90 1.60 3.63 1.37 0.00 -1.26 -4.93 105.19 103.70 3hhw n GLY 92 Ca -0.26 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 3hhw n GLY 92 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hhw s ILE 93 N -0.22 3.77 -0.28 -0.61 -1.09 -0.81 -4.97 121.20 116.98 3hhw s ILE 93 Ca 0.00 0.87 -0.29 0.00 -2.23 0.00 0.00 60.65 59.00 3hhw s ILE 93 Cb 0.00 -3.76 0.01 0.00 -1.58 0.00 0.00 42.46 37.13 3hhw s ILE 93 CO 0.00 -0.29 1.12 0.20 -1.23 0.00 0.00 174.94 174.74 3hhw s ASN 94 N 3.89 6.93 -0.18 3.58 0.01 -1.26 -2.31 114.94 125.61 3hhw s ASN 94 Ca 0.69 1.21 -0.20 0.00 -0.71 0.00 0.00 52.86 53.85 3hhw s ASN 94 Cb -0.24 -2.54 -0.17 0.00 0.41 0.00 0.00 41.25 38.71 3hhw s ASN 94 CO 0.28 -0.85 0.26 0.40 -1.51 0.00 0.00 177.10 175.67 3hhw h ILE 95 N 5.68 0.90 -4.15 0.60 2.04 -1.00 -3.49 117.51 118.09 3hhw h ILE 95 Ca -0.21 -1.96 -0.12 0.00 1.00 0.00 0.00 64.86 63.57 3hhw h ILE 95 Cb 1.07 1.99 -0.15 0.00 -0.74 0.00 0.00 36.82 38.99 3hhw h ILE 95 CO 1.02 0.31 -0.60 -0.83 0.00 0.00 0.00 178.15 178.04 3hhw s GLY 96 N -4.55 0.42 0.09 5.37 0.00 -1.03 -5.00 107.32 102.63 3hhw s GLY 96 Ca -0.23 -1.09 0.10 0.00 0.00 0.00 0.00 44.72 43.50 3hhw s GLY 96 CO 0.52 -1.20 -0.27 0.54 0.00 0.00 0.00 173.10 172.70 3hhw s LYS 97 N -3.92 1.58 0.00 2.90 -0.14 -1.26 -2.04 119.74 116.86 3hhw s LYS 97 Ca 0.08 -1.24 0.00 0.00 -1.36 0.00 0.00 55.97 53.45 3hhw s LYS 97 Cb 0.07 -1.94 0.00 0.00 -1.68 0.00 0.00 37.83 34.28 3hhw s LYS 97 CO -0.09 0.48 0.00 0.00 -0.76 0.00 0.00 175.35 174.98 3hhw n ALA 98 N 1.29 0.00 -2.31 5.17 0.00 -1.26 -0.95 120.51 122.45 3hhw n ALA 98 Ca -0.17 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 52.99 3hhw n ALA 98 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 3hhw n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hhw n GLY 99 N 0.00 6.07 3.83 0.00 0.00 -1.26 -3.64 105.19 110.19 3hhw n GLY 99 Ca 0.00 -2.72 -0.33 0.00 0.00 0.00 0.00 46.02 42.97 3hhw n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hhw s ASP 100 N -3.35 6.91 -0.30 1.61 1.01 -0.12 -4.74 116.67 117.69 3hhw s ASP 100 Ca 0.49 1.51 -0.11 0.00 0.71 0.00 0.00 52.55 55.15 3hhw s ASP 100 Cb 0.41 -2.46 -0.03 0.00 1.01 0.00 0.00 42.92 41.84 3hhw s ASP 100 CO -0.15 -0.24 0.19 -0.89 0.21 0.00 0.00 175.17 174.29 3hhw s THR 101 N -2.01 5.16 0.04 -1.27 2.01 -1.26 -0.99 115.64 117.33 3hhw s THR 101 Ca 0.56 -0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.62 3hhw s THR 101 Cb -0.11 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 3hhw s THR 101 CO 0.16 0.16 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.41 3hhw s ILE 102 N 1.73 1.75 0.35 1.82 -1.09 0.34 -4.87 121.20 121.22 3hhw s ILE 102 Ca 0.06 -1.21 0.07 0.00 -2.23 0.00 0.00 60.65 57.35 3hhw s ILE 102 Cb -0.16 -1.51 -0.01 0.00 -1.58 0.00 0.00 42.46 39.19 3hhw s ILE 102 CO 0.10 0.26 0.45 -0.83 -1.23 0.00 0.00 174.94 173.68 3hhw s GLY 103 N -1.13 1.68 0.48 6.18 0.00 -1.26 0.41 107.32 113.69 3hhw s GLY 103 Ca 0.08 -1.53 0.22 0.00 0.00 0.00 0.00 44.72 43.49 3hhw s GLY 103 CO 0.02 -1.43 2.02 0.16 0.00 0.00 0.00 173.10 173.87 3hhw h ILE 104 N 0.93 0.81 -0.54 0.90 3.07 -1.85 -2.75 117.51 118.09 3hhw h ILE 104 Ca -0.45 -0.63 0.00 0.00 1.55 0.00 0.00 64.86 65.33 3hhw h ILE 104 Cb 1.26 1.38 0.00 0.00 -0.27 0.00 0.00 36.82 39.18 3hhw h ILE 104 CO 0.53 0.16 0.00 0.49 -1.05 0.00 0.00 178.15 178.28 3hhw n PHE 105 N -3.90 1.02 -0.60 0.16 3.72 -1.26 -4.41 117.46 112.18 3hhw n PHE 105 Ca -0.02 -0.44 -0.05 0.00 -0.05 0.00 0.00 57.45 56.90 3hhw n PHE 105 Cb 0.26 -0.13 -0.07 0.00 -0.94 0.00 0.00 39.48 38.60 3hhw n PHE 105 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3hhw n ASP 106 N 0.97 4.27 -2.70 4.37 8.00 -1.04 -3.82 116.55 126.60 3hhw n ASP 106 Ca 0.20 -2.21 -0.14 0.00 0.71 0.00 0.00 54.79 53.34 3hhw n ASP 106 Cb 0.63 -1.03 0.01 0.00 -0.02 0.00 0.00 41.12 40.72 3hhw n ASP 106 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3hhw n LEU 107 N 2.09 2.09 -1.91 0.64 4.32 -1.26 -5.00 117.00 117.97 3hhw n LEU 107 Ca 0.17 -4.22 0.00 0.00 -0.02 0.00 0.00 56.01 51.94 3hhw n LEU 107 Cb 0.57 0.26 0.00 0.00 -1.62 0.00 0.00 43.42 42.63 3hhw n LEU 107 CO 0.07 1.80 -0.35 0.52 -1.22 0.00 0.00 177.39 178.22 3hhw n VAL 108 N -0.11-10.15 -4.89 4.08 0.31 -1.25 -4.63 118.33 101.70 3hhw n VAL 108 Ca 0.17 2.28 -0.28 0.00 -0.01 0.00 0.00 64.34 66.50 3hhw n VAL 108 Cb 0.76 -5.12 -0.15 0.00 -0.91 0.00 0.00 33.84 28.42 3hhw n VAL 108 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3hhw s SER 109 N -0.42 2.72 0.33 4.52 0.15 -1.26 -1.93 113.70 117.81 3hhw s SER 109 Ca 0.00 -0.50 0.04 0.00 0.70 0.00 0.00 55.95 56.19 3hhw s SER 109 Cb 0.00 -0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 64.04 3hhw s SER 109 CO 0.00 0.23 0.37 0.18 1.20 0.00 0.00 173.24 175.22 3hhw n LEU 110 N 2.08 0.00 -4.38 3.45 4.32 -1.11 -4.88 117.00 116.48 3hhw n LEU 110 Ca -0.16 -2.99 -0.25 0.00 -0.02 0.00 0.00 56.01 52.59 3hhw n LEU 110 Cb 0.53 2.02 -0.12 0.00 -1.62 0.00 0.00 43.42 44.22 3hhw n LEU 110 CO 0.23 -0.57 -0.52 -0.54 -1.22 0.00 0.00 177.39 174.77 3hhw s LYS 111 N -3.10 1.38 0.00 3.23 -0.14 -1.26 -3.04 119.74 116.81 3hhw s LYS 111 Ca 0.35 -1.43 0.00 0.00 -1.36 0.00 0.00 55.97 53.53 3hhw s LYS 111 Cb 0.01 -1.64 0.00 0.00 -1.68 0.00 0.00 37.83 34.52 3hhw s LYS 111 CO 0.25 0.36 0.00 0.00 -0.76 0.00 0.00 175.35 175.19 3hhw n ALA 112 N 0.44 0.00 -0.80 5.17 0.00 -1.26 -4.92 120.51 119.14 3hhw n ALA 112 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.99 3hhw n ALA 112 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.96 3hhw n ALA 112 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hhw n LEU 113 N 0.00 0.11 -4.66 0.00 4.77 -1.26 -4.90 117.00 111.06 3hhw n LEU 113 Ca 0.00 0.60 -0.42 0.00 -0.03 0.00 0.00 56.01 56.16 3hhw n LEU 113 Cb 0.00 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.58 3hhw n LEU 113 CO 0.00 -0.89 0.73 -0.62 -1.33 0.00 0.00 177.39 175.28 3hhw s ASP 114 N 0.28 6.98 0.00 -1.43 -1.08 -1.26 -4.86 116.67 115.31 3hhw s ASP 114 Ca 0.48 1.22 0.00 0.00 -0.52 0.00 0.00 52.55 53.73 3hhw s ASP 114 Cb -0.68 -2.48 0.00 0.00 -1.46 0.00 0.00 42.92 38.30 3hhw s ASP 114 CO 0.32 -0.52 0.00 0.61 0.52 0.00 0.00 175.17 176.10 3hhw n GLY 115 N 3.48 -1.76 3.70 2.66 0.00 -1.26 -5.14 105.19 106.87 3hhw n GLY 115 Ca 0.07 0.75 -0.42 0.00 0.00 0.00 0.00 46.02 46.42 3hhw n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hhw s VAL 116 N 0.00 4.33 0.28 1.61 1.01 -1.26 -5.00 120.40 121.37 3hhw s VAL 116 Ca 0.00 1.66 -0.30 0.00 0.00 0.00 0.00 61.98 63.35 3hhw s VAL 116 Cb 0.00 -4.07 -0.11 0.00 0.00 0.00 0.00 36.38 32.21 3hhw s VAL 116 CO 0.00 0.08 1.49 -0.76 0.00 0.00 0.00 175.10 175.91 3hhw s LEU 117 N 1.47 4.37 1.25 3.92 1.02 -1.26 -4.99 118.68 124.46 3hhw s LEU 117 Ca 0.56 2.79 -0.17 0.00 0.02 0.00 0.00 54.13 57.33 3hhw s LEU 117 Cb -0.25 -3.63 0.29 0.00 0.02 0.00 0.00 46.19 42.61 3hhw s LEU 117 CO 0.26 -0.78 0.76 -2.65 0.02 0.00 0.00 176.35 173.96 3hhw n PRO 118 N 2.02 -3.08 -0.39 1.29 -0.02 -1.26 -4.89 135.00 128.67 3hhw n PRO 118 Ca 0.06 -0.89 -0.06 0.00 -2.02 0.00 0.00 63.50 60.59 3hhw n PRO 118 Cb 0.39 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 3hhw n PRO 118 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3hhw n ASP 119 N -4.44 -0.83 0.00 2.55 10.43 -1.26 -4.79 116.55 118.21 3hhw n ASP 119 Ca 0.05 1.70 0.00 0.00 2.57 0.00 0.00 54.79 59.11 3hhw n ASP 119 Cb 0.56 -0.30 0.00 0.00 1.84 0.00 0.00 41.12 43.22 3hhw n ASP 119 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hhw n GLY 120 N -1.34 0.91 3.04 0.44 0.00 -1.26 -4.53 105.19 102.45 3hhw n GLY 120 Ca 0.06 0.45 -0.13 0.00 0.00 0.00 0.00 46.02 46.41 3hhw n GLY 120 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hhw s VAL 121 N 0.00 -0.03 0.21 1.61 -7.23 -1.26 -5.13 120.40 108.57 3hhw s VAL 121 Ca 0.00 0.12 -0.16 0.00 -1.81 0.00 0.00 61.98 60.13 3hhw s VAL 121 Cb 0.00 -0.34 0.02 0.00 0.56 0.00 0.00 36.38 36.62 3hhw s VAL 121 CO 0.00 0.05 0.52 -0.55 -0.31 0.00 0.00 175.10 174.81 3hhw s SER 122 N 1.01 -0.21 -0.23 4.85 0.15 -1.26 -4.32 113.70 113.68 3hhw s SER 122 Ca -0.07 -0.61 -0.15 0.00 0.70 0.00 0.00 55.95 55.82 3hhw s SER 122 Cb -0.09 0.59 0.07 0.00 -1.71 0.00 0.00 66.02 64.88 3hhw s SER 122 CO -0.06 -1.10 0.59 1.51 1.20 0.00 0.00 173.24 175.38 3hhw s ASP 123 N -2.91 -0.75 0.15 5.45 -4.77 -1.24 -4.97 116.67 107.63 3hhw s ASP 123 Ca 0.12 1.26 0.26 0.00 -3.30 0.00 0.00 52.55 50.90 3hhw s ASP 123 Cb -0.01 1.17 0.94 0.00 -1.09 0.00 0.00 42.92 43.92 3hhw s ASP 123 CO 0.01 -0.22 1.80 0.00 0.70 0.00 0.00 175.17 177.46 3hhw n ALA 124 N 3.95 2.20 0.22 2.11 0.00 -1.26 -3.97 120.51 123.76 3hhw n ALA 124 Ca -0.20 -0.03 0.18 0.00 0.00 0.00 0.00 53.44 53.39 3hhw n ALA 124 Cb 0.57 -1.45 0.83 0.00 0.00 0.00 0.00 19.45 19.40 3hhw n ALA 124 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hhw h SER 125 N 0.00 0.00 -3.37 0.00 4.64 -1.99 -3.43 113.55 109.40 3hhw h SER 125 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 3hhw h SER 125 Cb 0.61 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.71 3hhw h SER 125 CO 0.00 0.00 0.56 -0.13 -0.87 0.00 0.00 176.83 176.39 3hhw s ARG 126 N -4.43 4.47 0.00 4.77 1.81 -1.25 -5.04 118.95 119.27 3hhw s ARG 126 Ca -0.04 1.84 0.00 0.00 -1.72 0.00 0.00 55.73 55.81 3hhw s ARG 126 Cb 0.13 -3.28 0.00 0.00 -0.45 0.00 0.00 34.95 31.35 3hhw s ARG 126 CO 0.46 -0.15 0.00 -2.37 -0.68 0.00 0.00 175.30 172.56 3hhw n THR 127 N 3.02 0.00 -1.36 0.02 5.66 -1.26 -4.97 114.28 115.39 3hhw n THR 127 Ca 0.06 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.11 3hhw n THR 127 Cb 0.45 0.00 0.20 0.00 -1.55 0.00 0.00 70.33 69.43 3hhw n THR 127 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3hhw n SER 128 N 0.00 2.31 -3.42 1.09 7.64 -1.26 -4.90 113.62 115.08 3hhw n SER 128 Ca 0.00 -3.57 -0.35 0.00 1.01 0.00 0.00 58.87 55.96 3hhw n SER 128 Cb 0.00 -0.53 -0.03 0.00 -1.01 0.00 0.00 64.21 62.64 3hhw n SER 128 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hhw n ALA 129 N -1.13 5.10 -1.57 -0.43 0.00 -1.26 -4.58 120.51 116.63 3hhw n ALA 129 Ca 0.22 -3.00 0.00 0.00 0.00 0.00 0.00 53.44 50.67 3hhw n ALA 129 Cb 0.79 -3.34 0.00 0.00 0.00 0.00 0.00 19.45 16.90 3hhw n ALA 129 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hhw n ASP 130 N 5.26 0.00 0.00 0.00 10.43 -1.26 -4.01 116.55 126.98 3hhw n ASP 130 Ca 0.54 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.90 3hhw n ASP 130 Cb 0.27 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.23 3hhw n ASP 130 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3hhw n ASP 131 N -0.04 0.00 -0.03 -2.24 -0.08 -1.26 -2.17 116.55 110.73 3hhw n ASP 131 Ca 0.00 0.08 -0.04 0.00 -1.51 0.00 0.00 54.79 53.32 3hhw n ASP 131 Cb 0.00 -0.08 -0.04 0.00 2.34 0.00 0.00 41.12 43.34 3hhw n ASP 131 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 3hhw h LYS 132 N 0.00 -0.05 0.00 -0.67 1.63 -1.87 -3.47 116.57 112.13 3hhw h LYS 132 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3hhw h LYS 132 Cb 0.59 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 3hhw h LYS 132 CO 0.00 0.20 0.00 -2.67 -3.45 0.00 0.00 179.45 173.53 3hhw n TRP 133 N -4.78 0.00 -0.10 1.91 4.27 -0.92 -4.61 117.44 113.21 3hhw n TRP 133 Ca -0.03 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.47 3hhw n TRP 133 Cb 0.13 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.05 3hhw n TRP 133 CO 0.00 0.00 0.00 1.25 -2.29 0.00 0.00 177.69 176.65 3hhw h LEU 134 N 0.00 0.50 -0.91 5.67 6.46 -1.68 -2.29 115.31 123.05 3hhw h LEU 134 Ca 0.00 -0.28 -0.10 0.00 -0.12 0.00 0.00 57.88 57.38 3hhw h LEU 134 Cb 0.00 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 39.78 3hhw h LEU 134 CO 0.00 0.65 -0.26 -0.65 -0.62 0.00 0.00 178.44 177.57 3hhw h PRO 135 N 0.32 0.50 -0.66 5.25 0.11 -1.90 -2.45 132.00 133.18 3hhw h PRO 135 Ca 0.09 -0.19 -0.04 0.00 0.11 0.00 0.00 66.00 65.97 3hhw h PRO 135 Cb 0.38 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.43 3hhw h PRO 135 CO 0.01 0.72 0.27 1.25 -0.21 0.00 0.00 178.00 180.04 3hhw h LEU 136 N 0.44 0.88 -0.39 2.35 6.46 -1.87 -1.70 115.31 121.49 3hhw h LEU 136 Ca 0.06 -0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 57.70 3hhw h LEU 136 Cb 0.68 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 3hhw h LEU 136 CO 0.05 0.78 0.23 0.22 -0.62 0.00 0.00 178.44 179.10 3hhw h TYR 137 N 0.95 0.52 0.00 1.25 3.20 -1.17 0.23 116.97 121.95 3hhw h TYR 137 Ca 0.22 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.09 3hhw h TYR 137 Cb 0.18 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.28 3hhw h TYR 137 CO 0.01 0.38 0.00 -0.07 -1.64 0.00 0.00 178.16 176.85 3hhw h LEU 138 N 0.51 0.00 0.02 2.82 3.38 -1.01 -2.11 115.31 118.93 3hhw h LEU 138 Ca 0.14 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.79 3hhw h LEU 138 Cb 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 3hhw h LEU 138 CO -0.02 0.00 -1.88 0.18 0.09 0.00 0.00 178.44 176.80 3hhw n LEU 139 N -2.93 1.17 0.16 1.67 4.77 -0.68 -4.28 117.00 116.87 3hhw n LEU 139 Ca 0.01 0.30 0.13 0.00 -0.03 0.00 0.00 56.01 56.42 3hhw n LEU 139 Cb 0.29 -0.07 0.41 0.00 -2.33 0.00 0.00 43.42 41.72 3hhw n LEU 139 CO 0.26 0.51 0.88 1.23 -1.33 0.00 0.00 177.39 178.94 3hhw h GLY 140 N 3.07 0.00 0.62 -0.72 0.00 -0.17 -3.07 103.07 102.79 3hhw h GLY 140 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3hhw h GLY 140 CO 0.07 0.00 -0.02 1.04 0.00 0.00 0.00 176.54 177.63 3hhw n LEU 141 N -2.56 0.47 -0.15 3.11 4.77 -0.83 -2.91 117.00 118.91 3hhw n LEU 141 Ca 0.04 -0.12 -0.10 0.00 -0.03 0.00 0.00 56.01 55.80 3hhw n LEU 141 Cb 0.39 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.43 3hhw n LEU 141 CO 0.28 0.08 0.77 0.22 -1.33 0.00 0.00 177.39 177.41 3hhw h TYR 142 N 0.72 0.90 -0.15 -1.77 3.20 -1.77 -2.45 116.97 115.65 3hhw h TYR 142 Ca 0.00 -0.17 -0.05 0.00 3.14 0.00 0.00 58.73 61.65 3hhw h TYR 142 Cb 0.20 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 3hhw h TYR 142 CO 0.00 0.89 -0.09 -0.09 -1.64 0.00 0.00 178.16 177.22 3hhw h ARG 143 N 0.66 0.34 0.03 1.82 2.43 -1.74 -3.34 114.38 114.57 3hhw h ARG 143 Ca 0.12 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3hhw h ARG 143 Cb 0.55 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3hhw h ARG 143 CO 0.03 0.67 -0.02 0.28 -1.51 0.00 0.00 179.97 179.43 3hhw h VAL 144 N -0.00 1.10 -0.94 0.20 2.07 -1.60 -3.31 116.25 113.77 3hhw h VAL 144 Ca 0.03 -0.41 -0.73 0.00 0.82 0.00 0.00 66.70 66.41 3hhw h VAL 144 Cb 0.58 1.38 -0.11 0.00 -1.52 0.00 0.00 31.29 31.62 3hhw h VAL 144 CO 0.03 0.11 2.36 0.61 0.02 0.00 0.00 177.57 180.69 3hhw n GLY 145 N -0.62 4.33 0.98 2.17 0.00 -0.92 -3.86 105.19 107.27 3hhw n GLY 145 Ca -0.08 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.08 3hhw n GLY 145 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hhw n ARG 146 N 5.18 0.00 -2.49 1.61 0.00 -1.24 -4.59 116.66 115.12 3hhw n ARG 146 Ca 0.44 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.89 3hhw n ARG 146 Cb 0.39 -0.02 -0.04 0.00 0.00 0.00 0.00 32.46 32.79 3hhw n ARG 146 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 3hhw s THR 147 N -1.49 3.60 -0.11 5.15 -1.32 -1.25 -4.98 115.64 115.23 3hhw s THR 147 Ca 0.00 1.53 -0.16 0.00 -1.21 0.00 0.00 61.69 61.85 3hhw s THR 147 Cb 0.00 -3.98 -0.26 0.00 -1.51 0.00 0.00 72.50 66.75 3hhw s THR 147 CO 0.00 0.34 0.52 1.56 -2.21 0.00 0.00 174.62 174.83 3hhw h GLN 148 N 4.22 0.22 -7.02 7.08 7.50 -1.99 -3.47 115.11 121.64 3hhw h GLN 148 Ca -0.46 -0.37 -0.50 0.00 0.50 0.00 0.00 58.65 57.82 3hhw h GLN 148 Cb 1.21 0.14 0.06 0.00 0.05 0.00 0.00 27.48 28.94 3hhw h GLN 148 CO 0.69 1.18 0.46 0.00 -1.50 0.00 0.00 178.83 179.66 3hhw s MET 149 N -2.47 3.68 -0.93 1.46 0.23 -1.26 -4.89 119.30 115.12 3hhw s MET 149 Ca -0.21 1.70 -0.26 0.00 -1.03 0.00 0.00 55.69 55.89 3hhw s MET 149 Cb 0.04 -2.29 -0.18 0.00 -1.53 0.00 0.00 34.83 30.87 3hhw s MET 149 CO 0.75 -0.60 2.28 -2.14 -2.03 0.00 0.00 175.02 173.28 3hhw s PRO 150 N -2.86 1.37 0.00 3.16 0.02 -1.26 -4.36 135.00 131.07 3hhw s PRO 150 Ca 0.66 0.07 0.00 0.00 0.02 0.00 0.00 61.00 61.75 3hhw s PRO 150 Cb -0.26 -4.87 0.00 0.00 0.02 0.00 0.00 34.50 29.38 3hhw s PRO 150 CO 0.32 -4.99 0.15 -1.91 -0.33 0.00 0.00 177.00 170.24 3hhw n GLU 151 N 8.52 2.01 0.29 5.54 2.13 -1.26 -4.67 120.64 133.19 3hhw n GLU 151 Ca 0.44 -0.15 0.17 0.00 0.66 0.00 0.00 57.16 58.29 3hhw n GLU 151 Cb 0.45 -0.54 0.82 0.00 0.27 0.00 0.00 31.44 32.43 3hhw n GLU 151 CO 0.00 0.00 0.00 0.10 -0.41 0.00 0.00 177.13 176.82 3hhw h TYR 152 N 0.00 0.00 -0.22 4.31 -0.00 -1.87 -0.25 116.97 118.95 3hhw h TYR 152 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3hhw h TYR 152 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.82 3hhw h TYR 152 CO 0.00 0.05 0.00 0.54 -0.00 0.00 0.00 178.16 178.75 3hhw n ARG 153 N -3.24 2.25 0.00 0.10 5.12 -1.26 -1.98 116.66 117.64 3hhw n ARG 153 Ca -0.01 -1.09 0.00 0.00 -1.93 0.00 0.00 57.85 54.82 3hhw n ARG 153 Cb 0.24 -1.67 0.00 0.00 -1.16 0.00 0.00 32.46 29.87 3hhw n ARG 153 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3hhw n LYS 154 N 0.23 2.83 0.01 5.56 4.76 -0.55 -4.70 118.16 126.31 3hhw n LYS 154 Ca 0.10 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.32 3hhw n LYS 154 Cb 0.52 -0.60 -0.14 0.00 -1.84 0.00 0.00 35.03 32.97 3hhw n LYS 154 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 3hhw h LYS 155 N 0.00 0.27 -0.08 1.97 1.57 -1.12 -2.77 116.57 116.41 3hhw h LYS 155 Ca 0.00 -0.47 -0.12 0.00 -1.87 0.00 0.00 60.65 58.19 3hhw h LYS 155 Cb 0.10 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3hhw h LYS 155 CO 0.00 1.22 -0.48 1.25 -0.57 0.00 0.00 179.45 180.88 3hhw h LEU 156 N -0.08 0.23 -0.90 2.94 6.46 -1.65 -2.62 115.31 119.69 3hhw h LEU 156 Ca -0.38 -0.11 -0.09 0.00 -0.12 0.00 0.00 57.88 57.18 3hhw h LEU 156 Cb 1.94 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.80 3hhw h LEU 156 CO 0.08 0.68 -0.45 0.24 -0.62 0.00 0.00 178.44 178.37 3hhw h MET 157 N 0.17 0.00 -0.20 1.25 2.86 -1.75 -2.98 114.93 114.29 3hhw h MET 157 Ca 0.01 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 3hhw h MET 157 Cb 0.91 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 3hhw h MET 157 CO 0.07 0.45 -0.37 0.22 1.06 0.00 0.00 176.91 178.34 3hhw h ASP 158 N 0.00 0.45 0.00 1.22 3.58 -1.17 -3.25 116.42 117.25 3hhw h ASP 158 Ca -0.00 -0.18 -0.08 0.00 0.42 0.00 0.00 57.03 57.18 3hhw h ASP 158 Cb 0.95 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.84 3hhw h ASP 158 CO 0.06 0.78 -0.11 0.61 -2.88 0.00 0.00 179.24 177.70 3hhw n GLY 159 N -0.16 2.36 0.00 -0.78 0.00 -1.04 -2.85 105.19 102.72 3hhw n GLY 159 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3hhw n GLY 159 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hhw n LEU 160 N 2.13 0.00 -0.00 0.99 4.77 -1.23 -4.53 117.00 119.13 3hhw n LEU 160 Ca 0.18 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.99 3hhw n LEU 160 Cb 0.58 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.56 3hhw n LEU 160 CO 0.08 0.00 0.27 0.74 -1.33 0.00 0.00 177.39 177.15 3hhw h THR 161 N 0.00 1.42 0.00 -5.08 2.02 -1.73 -3.23 112.91 106.30 3hhw h THR 161 Ca 0.00 -2.04 0.00 0.00 0.77 0.00 0.00 66.41 65.14 3hhw h THR 161 Cb 0.03 2.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 3hhw h THR 161 CO 0.00 0.60 -0.82 0.59 0.37 0.00 0.00 175.52 176.25 3hhw n ASN 162 N -4.22 0.64 0.05 4.18 4.13 -1.26 -4.19 115.26 114.59 3hhw n ASN 162 Ca -0.10 -0.10 -0.20 0.00 1.68 0.00 0.00 54.58 55.86 3hhw n ASN 162 Cb 0.66 0.50 -0.12 0.00 -1.54 0.00 0.00 39.78 39.29 3hhw n ASN 162 CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 3hhw h GLN 163 N 0.00 0.56 -1.03 3.52 5.75 -1.80 -3.34 115.11 118.76 3hhw h GLN 163 Ca 0.00 -0.68 -0.39 0.00 -0.15 0.00 0.00 58.65 57.43 3hhw h GLN 163 Cb 0.71 0.21 -0.23 0.00 1.07 0.00 0.00 27.48 29.24 3hhw h GLN 163 CO 0.00 1.28 0.50 0.00 -2.65 0.00 0.00 178.83 177.96 3hhw h LYS 165 N 0.84 0.00 0.00 0.00 1.57 -1.78 -3.38 116.57 113.82 3hhw h LYS 165 Ca 0.47 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.14 3hhw h LYS 165 Cb 2.21 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.50 3hhw h LYS 165 CO 0.85 0.04 -1.12 -1.33 -0.57 0.00 0.00 179.45 177.32 3hhw n MET 166 N -3.14 0.35 0.00 3.15 2.81 -1.26 -5.11 117.12 113.92 3hhw n MET 166 Ca 0.01 0.14 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 3hhw n MET 166 Cb 0.37 -1.10 0.00 0.00 -0.71 0.00 0.00 33.22 31.79 3hhw n MET 166 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 3hhw n ILE 167 N -3.99 0.00 -0.71 2.02 -5.35 -1.26 -5.16 119.36 104.91 3hhw n ILE 167 Ca -0.18 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.22 3hhw n ILE 167 Cb 0.48 0.00 0.06 0.00 -1.74 0.00 0.00 39.64 38.44 3hhw n ILE 167 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3hhw n ASN 168 N 0.00 -1.14 -4.40 7.28 4.13 -1.26 -4.69 115.26 115.19 3hhw n ASN 168 Ca 0.00 -0.72 -0.34 0.00 1.68 0.00 0.00 54.58 55.20 3hhw n ASN 168 Cb 0.00 -0.26 -0.14 0.00 -1.54 0.00 0.00 39.78 37.84 3hhw n ASN 168 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3hhw s GLU 169 N -3.66 3.48 -0.19 3.52 2.02 -1.26 -4.62 118.70 117.99 3hhw s GLU 169 Ca 0.19 -0.62 -0.17 0.00 0.02 0.00 0.00 54.97 54.39 3hhw s GLU 169 Cb -0.02 -2.82 0.05 0.00 0.10 0.00 0.00 34.13 31.44 3hhw s GLU 169 CO 0.14 0.12 0.50 -0.65 0.02 0.00 0.00 175.26 175.39 3hhw s GLN 170 N 0.64 0.58 -0.07 1.61 -0.21 -1.26 -5.16 119.66 115.79 3hhw s GLN 170 Ca -0.04 0.70 0.02 0.00 0.02 0.00 0.00 55.36 56.05 3hhw s GLN 170 Cb -0.15 0.28 0.01 0.00 1.00 0.00 0.00 33.01 34.16 3hhw s GLN 170 CO 0.03 -0.07 -0.12 -0.59 -2.12 0.00 0.00 175.29 172.42 3hhw s PHE 171 N 0.27 1.46 -0.18 0.91 -0.12 -1.26 -5.05 117.98 114.02 3hhw s PHE 171 Ca -0.00 -0.56 -0.14 0.00 -0.05 0.00 0.00 56.93 56.18 3hhw s PHE 171 Cb -0.04 -1.09 -0.07 0.00 -0.63 0.00 0.00 43.02 41.20 3hhw s PHE 171 CO 0.01 -0.30 -0.17 0.39 -0.05 0.00 0.00 175.22 175.10 3hhw n GLU 172 N 3.92 0.50 -2.02 1.99 1.02 -1.26 -4.94 120.64 119.85 3hhw n GLU 172 Ca -0.22 0.43 -0.40 0.00 -0.02 0.00 0.00 57.16 56.96 3hhw n GLU 172 Cb 0.52 -1.62 -0.00 0.00 -0.02 0.00 0.00 31.44 30.31 3hhw n GLU 172 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3hhw s PRO 173 N -2.45 3.97 1.13 3.49 0.02 -1.26 -4.49 135.00 135.41 3hhw s PRO 173 Ca -0.23 2.20 -0.19 0.00 0.02 0.00 0.00 61.00 62.80 3hhw s PRO 173 Cb 0.04 -2.78 0.27 0.00 0.02 0.00 0.00 34.50 32.06 3hhw s PRO 173 CO 0.36 -0.50 1.23 -0.51 -0.33 0.00 0.00 177.00 177.25 3hhw s LEU 174 N -2.40 1.59 -0.07 -5.54 1.43 -1.24 -5.02 118.68 107.42 3hhw s LEU 174 Ca 0.56 0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 53.87 3hhw s LEU 174 Cb -0.39 -2.09 -0.08 0.00 0.03 0.00 0.00 46.19 43.65 3hhw s LEU 174 CO 0.50 -3.68 0.45 0.58 0.23 0.00 0.00 176.35 174.44 3hhw h VAL 175 N -2.29 0.36 0.00 -1.59 2.07 -1.95 -3.39 116.25 109.47 3hhw h VAL 175 Ca -0.43 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.04 3hhw h VAL 175 Cb 1.25 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 3hhw h VAL 175 CO 0.29 0.11 0.00 -0.81 0.02 0.00 0.00 177.57 177.18 3hhw n PRO 176 N -4.90 0.00 0.00 1.57 -0.05 -1.26 -4.58 135.00 125.78 3hhw n PRO 176 Ca -0.05 0.00 0.14 0.00 -0.05 0.00 0.00 63.50 63.54 3hhw n PRO 176 Cb 0.17 -0.27 0.60 0.00 -0.05 0.00 0.00 33.50 33.94 3hhw n PRO 176 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 3hhw n GLU 177 N -0.45 0.17 -1.37 0.54 1.02 -1.26 -4.25 120.64 115.04 3hhw n GLU 177 Ca 0.00 -0.03 -0.36 0.00 -0.02 0.00 0.00 57.16 56.76 3hhw n GLU 177 Cb 0.00 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.88 3hhw n GLU 177 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hhw n GLY 178 N 1.43 4.24 0.00 0.62 0.00 -1.26 -3.69 105.19 106.53 3hhw n GLY 178 Ca 0.09 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.56 3hhw n GLY 178 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hhw n ARG 179 N 3.13 0.12 0.05 1.61 0.63 -1.26 -3.67 116.66 117.27 3hhw n ARG 179 Ca 0.72 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 57.73 3hhw n ARG 179 Cb 0.32 -0.52 0.36 0.00 0.45 0.00 0.00 32.46 33.07 3hhw n ARG 179 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3hhw n ASP 180 N -0.80 0.26 -0.12 6.15 8.00 -1.24 -3.18 116.55 125.61 3hhw n ASP 180 Ca 0.00 0.57 -0.12 0.00 0.71 0.00 0.00 54.79 55.95 3hhw n ASP 180 Cb 0.02 -0.62 0.01 0.00 -0.02 0.00 0.00 41.12 40.51 3hhw n ASP 180 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 3hhw h ILE 181 N 0.00 1.27 -0.02 0.53 3.07 -1.88 -3.14 117.51 117.34 3hhw h ILE 181 Ca 0.00 -1.49 0.00 0.00 1.55 0.00 0.00 64.86 64.92 3hhw h ILE 181 Cb 0.26 1.30 0.00 0.00 -0.27 0.00 0.00 36.82 38.11 3hhw h ILE 181 CO 0.00 0.50 -0.30 2.22 -1.05 0.00 0.00 178.15 179.52 3hhw n PHE 182 N -4.07 0.00 -0.20 0.16 1.16 -1.19 -4.16 117.46 109.16 3hhw n PHE 182 Ca -0.01 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.48 3hhw n PHE 182 Cb 0.51 -0.03 0.02 0.00 -1.61 0.00 0.00 39.48 38.37 3hhw n PHE 182 CO 0.00 0.00 0.00 -0.44 -1.87 0.00 0.00 176.76 174.45 3hhw h ASP 183 N 2.58 0.94 0.52 5.98 5.19 -1.56 -3.24 116.42 126.82 3hhw h ASP 183 Ca 0.00 -0.29 -0.14 0.00 -0.62 0.00 0.00 57.03 55.99 3hhw h ASP 183 Cb 0.72 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.97 3hhw h ASP 183 CO 0.00 0.99 -0.61 0.58 -3.12 0.00 0.00 179.24 177.08 3hhw h VAL 184 N 0.85 1.42 -0.89 -1.35 2.07 -1.72 -3.33 116.25 113.30 3hhw h VAL 184 Ca 0.17 -2.06 0.24 0.00 0.82 0.00 0.00 66.70 65.87 3hhw h VAL 184 Cb 0.48 2.09 -0.14 0.00 -1.52 0.00 0.00 31.29 32.19 3hhw h VAL 184 CO 0.02 0.60 0.25 -0.50 0.02 0.00 0.00 177.57 177.95 3hhw h TRP 185 N 0.07 0.37 0.00 1.57 6.55 -1.76 0.37 115.95 123.12 3hhw h TRP 185 Ca -0.01 0.05 0.00 0.00 0.95 0.00 0.00 58.89 59.88 3hhw h TRP 185 Cb 1.10 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 29.38 3hhw h TRP 185 CO 0.01 -0.23 0.00 0.41 -1.05 0.00 0.00 178.44 177.58 3hhw n GLY 186 N -1.38 0.36 0.00 1.49 0.00 -1.25 -0.90 105.19 103.52 3hhw n GLY 186 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3hhw n GLY 186 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hhw n ASN 187 N 0.21 0.46 -4.49 1.61 3.02 0.12 -4.93 115.26 111.26 3hhw n ASN 187 Ca 0.00 -0.42 -0.43 0.00 -0.03 0.00 0.00 54.58 53.69 3hhw n ASN 187 Cb 0.07 0.94 -0.04 0.00 -0.61 0.00 0.00 39.78 40.14 3hhw n ASN 187 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hhw s ASP 188 N -1.03 6.27 0.66 6.41 2.15 -0.07 -4.94 116.67 126.12 3hhw s ASP 188 Ca 0.00 -0.65 0.44 0.00 0.43 0.00 0.00 52.55 52.77 3hhw s ASP 188 Cb 0.00 -2.40 2.40 0.00 -0.30 0.00 0.00 42.92 42.62 3hhw s ASP 188 CO 0.00 -1.23 2.36 0.77 -0.17 0.00 0.00 175.17 176.90 3hhw h SER 189 N 9.33 0.00 -0.19 -0.34 4.64 -1.92 -0.67 113.55 124.41 3hhw h SER 189 Ca -0.27 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.95 3hhw h SER 189 Cb 1.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3hhw h SER 189 CO 1.09 0.00 -0.25 0.78 -0.87 0.00 0.00 176.83 177.59 3hhw h ASN 190 N 0.00 0.55 -0.08 4.97 2.35 -1.92 -2.91 115.58 118.54 3hhw h ASN 190 Ca -0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 3hhw h ASN 190 Cb 0.02 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3hhw h ASN 190 CO 0.00 0.94 0.04 0.22 -1.65 0.00 0.00 177.43 176.98 3hhw h TYR 191 N 0.16 0.07 -0.18 1.19 3.20 -1.43 -2.31 116.97 117.67 3hhw h TYR 191 Ca 0.02 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.90 3hhw h TYR 191 Cb 0.81 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 3hhw h TYR 191 CO 0.09 0.04 0.12 1.79 -1.64 0.00 0.00 178.16 178.56 3hhw h THR 192 N 0.09 1.03 -0.07 1.81 1.35 -1.62 -0.93 112.91 114.57 3hhw h THR 192 Ca 0.03 -0.08 -0.11 0.00 -0.55 0.00 0.00 66.41 65.71 3hhw h THR 192 Cb 0.00 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 67.20 3hhw h THR 192 CO -0.02 0.04 -0.44 0.11 -0.25 0.00 0.00 175.52 174.96 3hhw h LYS 193 N 0.22 0.17 -0.21 4.72 1.57 -1.24 -1.92 116.57 119.88 3hhw h LYS 193 Ca 0.07 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 3hhw h LYS 193 Cb 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 3hhw h LYS 193 CO -0.01 0.58 -0.21 0.82 -0.57 0.00 0.00 179.45 180.06 3hhw h ILE 194 N 0.14 1.33 -0.61 1.86 2.04 -0.66 -1.95 117.51 119.65 3hhw h ILE 194 Ca 0.01 -1.37 -0.07 0.00 1.00 0.00 0.00 64.86 64.43 3hhw h ILE 194 Cb 0.84 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 3hhw h ILE 194 CO 0.07 0.42 0.12 0.58 0.00 0.00 0.00 178.15 179.34 3hhw h VAL 195 N 0.20 1.26 -0.46 1.67 2.07 -1.33 -1.49 116.25 118.17 3hhw h VAL 195 Ca 0.03 -0.96 -0.14 0.00 0.82 0.00 0.00 66.70 66.46 3hhw h VAL 195 Cb 0.76 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3hhw h VAL 195 CO 0.05 0.36 -0.25 0.00 0.02 0.00 0.00 177.57 177.75 3hhw h ALA 196 N 1.03 0.69 0.00 1.67 0.00 -1.40 -2.61 119.26 118.65 3hhw h ALA 196 Ca 0.19 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3hhw h ALA 196 Cb 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hhw h ALA 196 CO 0.01 0.67 -0.00 0.00 0.00 0.00 0.00 179.25 179.93 3hhw h ALA 197 N 0.88 -0.00 -0.33 0.00 0.00 -1.17 0.26 119.26 118.90 3hhw h ALA 197 Ca 0.10 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3hhw h ALA 197 Cb 0.82 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 3hhw h ALA 197 CO 0.07 -0.39 -0.20 0.28 0.00 0.00 0.00 179.25 179.02 3hhw h VAL 198 N -0.23 0.44 0.18 0.00 2.07 -1.31 0.10 116.25 117.50 3hhw h VAL 198 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3hhw h VAL 198 Cb 0.23 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3hhw h VAL 198 CO 0.00 0.00 -0.08 -0.78 0.02 0.00 0.00 177.57 176.73 3hhw h ASP 199 N -0.15 -0.20 -0.95 0.57 3.58 -1.35 -1.19 116.42 116.73 3hhw h ASP 199 Ca 0.17 -0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.64 3hhw h ASP 199 Cb 0.41 0.05 -0.06 0.00 1.72 0.00 0.00 39.33 41.46 3hhw h ASP 199 CO -0.42 -0.12 0.62 -0.03 -2.88 0.00 0.00 179.24 176.41 3hhw h MET 200 N -0.27 1.15 -0.30 0.28 4.05 -0.66 0.20 114.93 119.38 3hhw h MET 200 Ca -0.02 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 3hhw h MET 200 Cb 0.21 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 30.73 3hhw h MET 200 CO 0.04 0.76 0.19 0.35 0.23 0.00 0.00 176.91 178.47 3hhw h PHE 201 N 1.18 0.38 0.00 1.39 3.57 -0.56 -2.77 116.94 120.13 3hhw h PHE 201 Ca 0.39 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.89 3hhw h PHE 201 Cb 0.04 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.65 3hhw h PHE 201 CO -0.01 0.27 -0.17 1.19 -2.23 0.00 0.00 178.31 177.35 3hhw n PHE 202 N -4.86 0.83 0.14 0.41 3.01 -0.47 -1.19 117.46 115.32 3hhw n PHE 202 Ca -0.02 0.24 -0.01 0.00 1.01 0.00 0.00 57.45 58.68 3hhw n PHE 202 Cb 0.04 -0.86 0.17 0.00 -0.01 0.00 0.00 39.48 38.82 3hhw n PHE 202 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 3hhw h HIS 203 N 0.00 0.00 0.10 1.38 2.76 -0.50 -2.93 115.15 115.95 3hhw h HIS 203 Ca 0.00 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3hhw h HIS 203 Cb 0.74 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.70 3hhw h HIS 203 CO 0.00 0.61 -0.05 1.98 -1.30 0.00 0.00 177.93 179.18 3hhw h MET 204 N 0.00 -0.13 -3.18 5.26 1.85 -1.31 -3.38 114.93 114.04 3hhw h MET 204 Ca -0.01 0.01 -0.75 0.00 -0.61 0.00 0.00 59.70 58.34 3hhw h MET 204 Cb 1.10 0.03 -0.14 0.00 0.43 0.00 0.00 31.60 33.02 3hhw h MET 204 CO 0.08 -0.00 2.20 1.19 -0.40 0.00 0.00 176.91 179.97 3hhw n PHE 205 N -4.86 2.79 0.36 1.39 3.72 -0.34 -4.74 117.46 115.79 3hhw n PHE 205 Ca -0.03 -2.80 0.13 0.00 -0.05 0.00 0.00 57.45 54.70 3hhw n PHE 205 Cb 0.09 -1.92 0.55 0.00 -0.94 0.00 0.00 39.48 37.27 3hhw n PHE 205 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 3hhw h LYS 206 N 5.33 0.00 -0.01 -1.08 -0.00 -1.70 -2.76 116.57 116.35 3hhw h LYS 206 Ca 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.16 3hhw h LYS 206 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.74 3hhw h LYS 206 CO 1.58 0.00 -0.50 1.17 -0.00 0.00 0.00 179.45 181.71 3hhw n LYS 207 N -2.42 0.77 -1.75 0.07 3.00 -1.26 -4.90 118.16 111.66 3hhw n LYS 207 Ca 0.02 -0.57 -0.36 0.00 -0.00 0.00 0.00 58.31 57.39 3hhw n LYS 207 Cb 0.23 -1.49 0.07 0.00 0.00 0.00 0.00 35.03 33.84 3hhw n LYS 207 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 3hhw s HIS 208 N -2.63 2.13 0.39 5.64 2.46 -1.04 -4.93 115.29 117.31 3hhw s HIS 208 Ca 0.18 1.50 0.12 0.00 0.47 0.00 0.00 55.06 57.34 3hhw s HIS 208 Cb 0.18 -3.63 0.79 0.00 -0.13 0.00 0.00 32.58 29.78 3hhw s HIS 208 CO 0.62 -2.76 1.87 1.05 -2.47 0.00 0.00 174.74 173.04 3hhw h GLU 209 N 0.51 0.03 -0.61 2.88 4.11 -1.93 -2.82 114.58 116.75 3hhw h GLU 209 Ca -0.50 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.91 3hhw h GLU 209 Cb 1.33 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3hhw h GLU 209 CO 0.53 0.33 0.00 0.00 0.07 0.00 0.00 179.01 179.94 3hhw n ALA 211 N 0.69 1.22 1.04 0.00 0.00 -1.06 -2.06 120.51 120.34 3hhw n ALA 211 Ca 0.18 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.74 3hhw n ALA 211 Cb 0.66 -1.09 0.61 0.00 0.00 0.00 0.00 19.45 19.63 3hhw n ALA 211 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hhw n SER 212 N -1.55 0.00 0.09 0.00 3.41 -1.26 -2.58 113.62 111.74 3hhw n SER 212 Ca 0.01 0.31 0.07 0.00 -0.26 0.00 0.00 58.87 59.01 3hhw n SER 212 Cb 0.06 -0.43 0.37 0.00 -0.26 0.00 0.00 64.21 63.94 3hhw n SER 212 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3hhw n PHE 213 N -1.43 0.46 0.32 7.33 3.72 -0.87 -1.77 117.46 125.20 3hhw n PHE 213 Ca 0.08 0.22 0.14 0.00 -0.05 0.00 0.00 57.45 57.85 3hhw n PHE 213 Cb 0.29 -0.86 0.40 0.00 -0.94 0.00 0.00 39.48 38.37 3hhw n PHE 213 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3hhw h ARG 214 N 0.00 0.00 0.00 -1.08 2.43 -1.75 -3.03 114.38 110.95 3hhw h ARG 214 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3hhw h ARG 214 Cb 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3hhw h ARG 214 CO 0.00 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 179.12 3hhw n TYR 215 N -2.89 0.76 -0.07 2.20 4.01 -0.73 -0.53 117.16 119.91 3hhw n TYR 215 Ca 0.03 0.40 -0.07 0.00 -0.16 0.00 0.00 57.90 58.09 3hhw n TYR 215 Cb 0.41 -1.13 -0.11 0.00 -0.31 0.00 0.00 39.34 38.20 3hhw n TYR 215 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hhw n GLY 216 N -1.26 -0.67 0.12 2.72 0.00 -1.15 -4.73 105.19 100.24 3hhw n GLY 216 Ca -0.01 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 45.88 3hhw n GLY 216 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hhw n THR 217 N -2.55 0.00 0.02 2.61 -2.24 -0.85 -4.24 114.28 107.03 3hhw n THR 217 Ca -0.24 -0.06 0.04 0.00 -2.27 0.00 0.00 64.05 61.52 3hhw n THR 217 Cb 0.95 1.01 0.43 0.00 -2.10 0.00 0.00 70.33 70.62 3hhw n THR 217 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3hhw h ILE 218 N 0.61 1.11 0.00 2.28 2.10 -1.10 -1.48 117.51 121.03 3hhw h ILE 218 Ca 0.00 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.69 3hhw h ILE 218 Cb 0.56 0.60 0.00 0.00 -1.09 0.00 0.00 36.82 36.90 3hhw h ILE 218 CO 0.00 0.11 0.00 1.33 -1.08 0.00 0.00 178.15 178.51 3hhw n VAL 219 N -4.45 0.01 0.28 2.19 0.24 -1.26 -2.71 118.33 112.62 3hhw n VAL 219 Ca 0.02 0.00 0.15 0.00 -2.04 0.00 0.00 64.34 62.48 3hhw n VAL 219 Cb 0.08 -0.51 0.49 0.00 -1.47 0.00 0.00 33.84 32.43 3hhw n VAL 219 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 3hhw h SER 220 N 0.00 0.00 -3.42 -1.34 0.87 -1.59 -3.38 113.55 104.69 3hhw h SER 220 Ca 0.00 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.97 3hhw h SER 220 Cb 0.07 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 61.93 3hhw h SER 220 CO 0.00 0.00 -0.02 -0.60 -0.53 0.00 0.00 176.83 175.68 3hhw s ARG 221 N -3.47 4.24 0.00 2.24 3.52 -1.10 -3.88 118.95 120.50 3hhw s ARG 221 Ca 0.04 0.49 0.00 0.00 -0.13 0.00 0.00 55.73 56.13 3hhw s ARG 221 Cb 0.08 -3.53 0.00 0.00 -1.56 0.00 0.00 34.95 29.93 3hhw s ARG 221 CO 0.58 -0.10 0.00 1.19 -0.81 0.00 0.00 175.30 176.16 3hhw n PHE 222 N 4.58 0.00 -1.85 5.12 3.72 -0.69 -4.98 117.46 123.36 3hhw n PHE 222 Ca -0.04 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.97 3hhw n PHE 222 Cb 0.51 -1.53 0.02 0.00 -0.94 0.00 0.00 39.48 37.54 3hhw n PHE 222 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3hhw s LYS 223 N -1.46 3.58 0.00 -1.08 2.47 -1.25 -1.83 119.74 120.17 3hhw s LYS 223 Ca 0.00 2.31 0.00 0.00 -1.56 0.00 0.00 55.97 56.72 3hhw s LYS 223 Cb 0.00 -2.55 0.00 0.00 -1.46 0.00 0.00 37.83 33.82 3hhw s LYS 223 CO 0.00 -0.87 0.00 -0.25 0.16 0.00 0.00 175.35 174.39 3hhw n ASP 224 N -0.39 -1.79 -2.43 1.43 9.92 -1.26 -4.84 116.55 117.19 3hhw n ASP 224 Ca 0.06 0.00 -0.17 0.00 -0.53 0.00 0.00 54.79 54.15 3hhw n ASP 224 Cb 0.43 -1.21 0.02 0.00 -0.64 0.00 0.00 41.12 39.73 3hhw n ASP 224 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hhw h ALA 226 N 2.53 1.33 -0.91 0.00 0.00 -1.63 -2.93 119.26 117.65 3hhw h ALA 226 Ca 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3hhw h ALA 226 Cb 1.24 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3hhw h ALA 226 CO 0.63 0.45 0.53 0.00 0.00 0.00 0.00 179.25 180.85 3hhw h ALA 227 N 1.51 1.16 -0.47 0.00 0.00 -1.56 -1.76 119.26 118.14 3hhw h ALA 227 Ca 0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3hhw h ALA 227 Cb 0.50 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3hhw h ALA 227 CO 0.03 0.64 0.10 -0.07 0.00 0.00 0.00 179.25 179.95 3hhw h LEU 228 N 1.26 0.67 -0.63 0.00 3.38 -1.69 -2.06 115.31 116.23 3hhw h LEU 228 Ca 0.32 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 3hhw h LEU 228 Cb -0.02 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3hhw h LEU 228 CO -0.06 0.68 0.18 0.00 0.09 0.00 0.00 178.44 179.33 3hhw h ALA 229 N 1.41 0.83 -0.17 1.53 0.00 -1.29 -0.67 119.26 120.90 3hhw h ALA 229 Ca 0.15 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 3hhw h ALA 229 Cb 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3hhw h ALA 229 CO 0.00 0.52 -0.55 1.79 0.00 0.00 0.00 179.25 181.01 3hhw h THR 230 N 0.92 1.33 -0.24 0.00 1.35 -1.16 0.38 112.91 115.48 3hhw h THR 230 Ca 0.20 -1.80 0.01 0.00 -0.55 0.00 0.00 66.41 64.27 3hhw h THR 230 Cb 0.32 1.79 -0.02 0.00 -1.73 0.00 0.00 68.15 68.51 3hhw h THR 230 CO -0.00 0.56 0.13 0.15 -0.25 0.00 0.00 175.52 176.10 3hhw h PHE 231 N 0.39 0.24 -0.73 4.73 3.57 -1.20 -0.12 116.94 123.82 3hhw h PHE 231 Ca 0.01 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3hhw h PHE 231 Cb 1.08 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 3hhw h PHE 231 CO 0.04 0.14 0.37 0.78 -2.23 0.00 0.00 178.31 177.41 3hhw h GLY 232 N 0.27 1.12 1.44 2.40 0.00 -0.84 -2.43 103.07 105.02 3hhw h GLY 232 Ca 0.10 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 3hhw h GLY 232 CO -0.06 0.51 0.14 0.84 0.00 0.00 0.00 176.54 177.97 3hhw h HIS 233 N 1.02 0.72 -0.23 5.60 -0.00 0.01 -2.03 115.15 120.24 3hhw h HIS 233 Ca 0.25 -0.05 -0.17 0.00 -0.00 0.00 0.00 60.37 60.40 3hhw h HIS 233 Cb 0.09 -0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 27.28 3hhw h HIS 233 CO 0.00 0.59 -0.56 1.25 -0.00 0.00 0.00 177.93 179.22 3hhw h LEU 234 N 0.69 0.77 -0.23 0.26 5.85 -0.78 -2.04 115.31 119.83 3hhw h LEU 234 Ca 0.16 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 3hhw h LEU 234 Cb 0.22 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3hhw h LEU 234 CO -0.01 1.17 0.12 0.00 -0.34 0.00 0.00 178.44 179.38 3hhw h LYS 236 N 0.25 0.25 0.00 0.00 1.79 -1.28 0.12 116.57 117.71 3hhw h LYS 236 Ca 0.08 -0.06 -0.10 0.00 -2.18 0.00 0.00 60.65 58.38 3hhw h LYS 236 Cb 0.08 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 3hhw h LYS 236 CO -0.01 0.41 -1.18 0.97 -1.08 0.00 0.00 179.45 178.56 3hhw h ILE 237 N 0.24 0.34 0.08 1.86 2.10 -1.31 -3.31 117.51 117.51 3hhw h ILE 237 Ca 0.05 -1.64 -0.30 0.00 1.08 0.00 0.00 64.86 64.05 3hhw h ILE 237 Cb 0.42 1.88 -0.02 0.00 -1.09 0.00 0.00 36.82 38.01 3hhw h ILE 237 CO 0.03 0.19 -1.54 0.71 -1.08 0.00 0.00 178.15 176.46 3hhw h THR 238 N 0.00 1.12 0.00 2.19 1.35 -1.33 -3.49 112.91 112.76 3hhw h THR 238 Ca -0.09 -2.82 0.00 0.00 -0.55 0.00 0.00 66.41 62.95 3hhw h THR 238 Cb 1.36 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 70.46 3hhw h THR 238 CO 0.03 0.78 0.00 0.61 -0.25 0.00 0.00 175.52 176.69 3hhw n GLY 239 N 1.63 0.58 3.97 5.82 0.00 0.41 -5.06 105.19 112.54 3hhw n GLY 239 Ca -0.16 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 3hhw n GLY 239 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hhw s MET 240 N -0.64 3.22 0.71 1.61 -1.94 -1.13 -5.03 119.30 116.10 3hhw s MET 240 Ca 0.00 -0.93 -0.11 0.00 -1.71 0.00 0.00 55.69 52.95 3hhw s MET 240 Cb 0.00 -2.83 0.02 0.00 2.01 0.00 0.00 34.83 34.03 3hhw s MET 240 CO 0.00 0.22 1.07 -1.54 -0.01 0.00 0.00 175.02 174.75 3hhw s SER 241 N -4.08 5.20 0.42 3.03 1.04 -1.26 -4.70 113.70 113.34 3hhw s SER 241 Ca 0.40 1.63 0.15 0.00 0.48 0.00 0.00 55.95 58.61 3hhw s SER 241 Cb -0.09 -2.47 1.03 0.00 0.10 0.00 0.00 66.02 64.58 3hhw s SER 241 CO 0.30 -1.56 1.92 0.71 0.98 0.00 0.00 173.24 175.58 3hhw h THR 242 N -0.80 0.81 -0.20 2.02 1.35 -1.97 -0.90 112.91 113.21 3hhw h THR 242 Ca -0.44 -0.15 -0.13 0.00 -0.55 0.00 0.00 66.41 65.14 3hhw h THR 242 Cb 1.22 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3hhw h THR 242 CO 0.56 0.08 -0.38 -0.33 -0.25 0.00 0.00 175.52 175.20 3hhw h GLU 243 N 0.44 0.62 -0.32 4.72 3.07 -2.00 -2.75 114.58 118.37 3hhw h GLU 243 Ca 0.37 -0.39 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 3hhw h GLU 243 Cb 0.81 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.76 3hhw h GLU 243 CO -0.12 1.01 0.10 -0.44 -1.40 0.00 0.00 179.01 178.16 3hhw h ASP 244 N 0.30 0.47 -0.63 1.42 3.32 -1.75 -2.71 116.42 116.83 3hhw h ASP 244 Ca 0.01 -0.21 0.08 0.00 0.02 0.00 0.00 57.03 56.93 3hhw h ASP 244 Cb 0.98 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 40.35 3hhw h ASP 244 CO 0.09 0.55 0.30 0.58 -1.72 0.00 0.00 179.24 179.04 3hhw h VAL 245 N 0.37 0.87 -0.52 -1.35 2.07 -1.26 -1.85 116.25 114.58 3hhw h VAL 245 Ca 0.10 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.44 3hhw h VAL 245 Cb 0.25 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3hhw h VAL 245 CO -0.00 0.10 0.34 0.74 0.02 0.00 0.00 177.57 178.77 3hhw h THR 246 N 0.55 1.13 0.00 2.57 2.02 -1.37 -0.03 112.91 117.77 3hhw h THR 246 Ca 0.30 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.25 3hhw h THR 246 Cb 0.29 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 3hhw h THR 246 CO -0.24 0.13 0.00 0.71 0.37 0.00 0.00 175.52 176.49 3hhw h THR 247 N 0.69 0.00 -0.37 3.16 1.35 -1.01 -2.75 112.91 113.98 3hhw h THR 247 Ca 0.19 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 3hhw h THR 247 Cb -0.06 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 3hhw h THR 247 CO -0.04 0.00 0.00 0.79 -0.25 0.00 0.00 175.52 176.02 3hhw n TRP 248 N -2.88 0.54 -2.32 4.73 7.02 -0.03 -4.84 117.44 119.66 3hhw n TRP 248 Ca -0.00 -0.26 -0.43 0.00 -1.02 0.00 0.00 57.50 55.79 3hhw n TRP 248 Cb 0.22 -0.02 -0.02 0.00 -2.42 0.00 0.00 31.31 29.07 3hhw n TRP 248 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 3hhw s ILE 249 N -1.52 4.08 -0.31 -0.99 -1.09 -1.04 -4.89 121.20 115.44 3hhw s ILE 249 Ca 0.25 1.29 0.03 0.00 -2.23 0.00 0.00 60.65 59.99 3hhw s ILE 249 Cb 0.14 -3.90 0.08 0.00 -1.58 0.00 0.00 42.46 37.19 3hhw s ILE 249 CO 0.17 -0.19 0.96 0.18 -1.23 0.00 0.00 174.94 174.83 3hhw n LEU 250 N 7.03 2.04 -4.12 2.97 4.77 -1.26 -4.99 117.00 123.44 3hhw n LEU 250 Ca 0.15 -1.76 -0.25 0.00 -0.03 0.00 0.00 56.01 54.12 3hhw n LEU 250 Cb 0.45 -0.05 -0.16 0.00 -2.33 0.00 0.00 43.42 41.33 3hhw n LEU 250 CO 0.59 0.50 -0.49 0.20 -1.33 0.00 0.00 177.39 176.86 3hhw s ASN 251 N -0.83 2.03 0.23 -1.43 0.01 -1.26 -5.05 114.94 108.63 3hhw s ASN 251 Ca 0.06 -0.33 -0.07 0.00 -0.71 0.00 0.00 52.86 51.81 3hhw s ASN 251 Cb 0.03 -0.52 0.20 0.00 0.41 0.00 0.00 41.25 41.37 3hhw s ASN 251 CO 0.05 0.15 1.84 -0.09 -1.51 0.00 0.00 177.10 177.53 3hhw h ARG 252 N 6.20 1.24 -0.91 -0.60 2.43 -1.99 -2.25 114.38 118.50 3hhw h ARG 252 Ca -0.33 -0.16 0.06 0.00 -0.81 0.00 0.00 59.98 58.74 3hhw h ARG 252 Cb 1.17 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 30.42 3hhw h ARG 252 CO 0.48 0.93 0.57 0.93 -1.51 0.00 0.00 179.97 181.37 3hhw h GLU 253 N 1.24 1.01 -0.21 0.20 5.08 -1.99 -0.78 114.58 119.12 3hhw h GLU 253 Ca 0.30 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.43 3hhw h GLU 253 Cb 0.07 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 3hhw h GLU 253 CO -0.04 0.67 -0.57 0.28 -1.00 0.00 0.00 179.01 178.34 3hhw h VAL 254 N 1.04 1.30 -0.36 3.13 2.07 -1.82 -2.55 116.25 119.07 3hhw h VAL 254 Ca 0.39 -1.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 3hhw h VAL 254 Cb 0.17 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 3hhw h VAL 254 CO -0.17 0.57 0.16 0.00 0.02 0.00 0.00 177.57 178.14 3hhw h ALA 255 N 0.84 0.46 -0.97 1.67 0.00 -0.94 -0.31 119.26 120.02 3hhw h ALA 255 Ca 0.00 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 54.92 3hhw h ALA 255 Cb 1.15 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 3hhw h ALA 255 CO 0.11 0.04 0.59 -0.44 0.00 0.00 0.00 179.25 179.56 3hhw h ASP 256 N 0.43 0.86 0.27 0.00 5.19 -1.06 -0.79 116.42 121.32 3hhw h ASP 256 Ca 0.12 0.05 -0.19 0.00 -0.62 0.00 0.00 57.03 56.40 3hhw h ASP 256 Cb 0.15 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.54 3hhw h ASP 256 CO -0.01 0.45 -0.75 -0.33 -3.12 0.00 0.00 179.24 175.47 3hhw h GLU 257 N 0.93 0.41 -0.53 3.56 5.08 -1.06 -2.63 114.58 120.33 3hhw h GLU 257 Ca 0.49 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 3hhw h GLU 257 Cb 0.50 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3hhw h GLU 257 CO -0.28 0.99 -0.10 1.98 -1.00 0.00 0.00 179.01 180.60 3hhw h MET 258 N 0.27 1.01 -0.72 2.33 4.05 -0.22 -2.04 114.93 119.61 3hhw h MET 258 Ca -0.04 -0.37 -0.06 0.00 -0.28 0.00 0.00 59.70 58.95 3hhw h MET 258 Cb 1.34 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 32.04 3hhw h MET 258 CO 0.13 1.06 0.22 0.28 0.23 0.00 0.00 176.91 178.83 3hhw h VAL 259 N 0.88 1.26 -0.29 -5.77 2.07 -1.17 -1.64 116.25 111.60 3hhw h VAL 259 Ca 0.14 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.78 3hhw h VAL 259 Cb 0.67 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3hhw h VAL 259 CO 0.05 0.35 0.14 -0.61 0.02 0.00 0.00 177.57 177.52 3hhw h GLN 260 N 1.06 0.28 -0.57 1.57 4.15 -1.27 -2.98 115.11 117.36 3hhw h GLN 260 Ca 0.23 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.53 3hhw h GLN 260 Cb 0.31 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 3hhw h GLN 260 CO -0.01 0.19 -0.04 0.52 -1.93 0.00 0.00 178.83 177.56 3hhw h MET 261 N 0.29 1.04 -2.15 1.69 2.86 -1.22 -3.26 114.93 114.18 3hhw h MET 261 Ca 0.12 -0.35 -0.67 0.00 -2.06 0.00 0.00 59.70 56.74 3hhw h MET 261 Cb 0.05 -0.08 -0.21 0.00 0.06 0.00 0.00 31.60 31.42 3hhw h MET 261 CO -0.09 1.04 1.06 -1.33 1.06 0.00 0.00 176.91 178.65 3hhw n MET 262 N -4.19 3.39 -2.92 1.72 2.81 -0.63 -4.95 117.12 112.34 3hhw n MET 262 Ca 0.02 -3.25 -0.40 0.00 -1.81 0.00 0.00 57.70 52.26 3hhw n MET 262 Cb 0.37 -2.32 -0.04 0.00 -0.71 0.00 0.00 33.22 30.51 3hhw n MET 262 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3hhw s LEU 263 N -3.05 4.39 0.74 4.03 2.96 -1.21 -4.90 118.68 121.64 3hhw s LEU 263 Ca 0.53 1.43 -0.15 0.00 -0.22 0.00 0.00 54.13 55.72 3hhw s LEU 263 Cb 0.33 -3.28 0.04 0.00 0.50 0.00 0.00 46.19 43.78 3hhw s LEU 263 CO -0.24 -0.10 1.23 -2.84 -1.32 0.00 0.00 176.35 173.08 3hhw s PRO 264 N 0.49 2.03 -0.40 0.98 0.02 -1.26 -4.10 135.00 132.77 3hhw s PRO 264 Ca 0.42 1.84 -0.00 0.00 0.02 0.00 0.00 61.00 63.28 3hhw s PRO 264 Cb -0.20 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.51 3hhw s PRO 264 CO 0.23 -1.93 0.05 0.41 -0.33 0.00 0.00 177.00 175.42 3hhw n GLY 265 N 0.57 0.25 0.39 0.52 0.00 -1.26 -4.95 105.19 100.72 3hhw n GLY 265 Ca 0.14 -0.65 0.04 0.00 0.00 0.00 0.00 46.02 45.55 3hhw n GLY 265 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hhw n GLN 266 N -1.48 2.22 -3.98 1.61 1.13 -1.26 -4.70 117.38 110.92 3hhw n GLN 266 Ca -0.05 -1.64 -0.31 0.00 -1.94 0.00 0.00 57.00 53.06 3hhw n GLN 266 Cb 0.54 -1.17 0.01 0.00 0.11 0.00 0.00 30.24 29.73 3hhw n GLN 266 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3hhw n GLU 267 N 0.23 -4.93 -0.04 -1.09 1.02 -1.26 -4.82 120.64 109.75 3hhw n GLU 267 Ca 0.07 0.54 -0.14 0.00 -0.02 0.00 0.00 57.16 57.61 3hhw n GLU 267 Cb 0.32 -5.37 -0.02 0.00 -0.02 0.00 0.00 31.44 26.36 3hhw n GLU 267 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 3hhw h ILE 268 N -1.95 1.29 -0.48 -3.67 3.07 -1.95 -3.13 117.51 110.69 3hhw h ILE 268 Ca -0.59 -1.83 0.00 0.00 1.55 0.00 0.00 64.86 63.99 3hhw h ILE 268 Cb 1.38 1.78 0.00 0.00 -0.27 0.00 0.00 36.82 39.71 3hhw h ILE 268 CO 0.69 0.58 0.00 -0.90 -1.05 0.00 0.00 178.15 177.48 3hhw n ASP 269 N -3.96 3.51 -4.80 2.16 5.75 -1.26 -4.93 116.55 113.01 3hhw n ASP 269 Ca -0.05 -2.28 -0.34 0.00 -0.01 0.00 0.00 54.79 52.11 3hhw n ASP 269 Cb 0.66 -0.47 -0.02 0.00 -1.03 0.00 0.00 41.12 40.26 3hhw n ASP 269 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3hhw s LYS 270 N -1.70 3.63 -0.03 0.11 2.20 -1.18 -5.00 119.74 117.76 3hhw s LYS 270 Ca 0.37 1.31 -0.25 0.00 -0.36 0.00 0.00 55.97 57.04 3hhw s LYS 270 Cb 0.23 -2.07 -0.21 0.00 -1.51 0.00 0.00 37.83 34.28 3hhw s LYS 270 CO 0.19 -0.57 1.18 0.00 -0.36 0.00 0.00 175.35 175.79 3hhw h ALA 271 N 1.16 0.05 -2.18 3.13 0.00 -1.91 -3.40 119.26 116.09 3hhw h ALA 271 Ca -0.49 -0.33 -0.58 0.00 0.00 0.00 0.00 54.91 53.51 3hhw h ALA 271 Cb 1.22 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.61 3hhw h ALA 271 CO 0.58 -0.09 -0.92 -0.25 0.00 0.00 0.00 179.25 178.57 3hhw n ASP 272 N -4.70 1.19 -4.93 0.00 8.00 -1.26 -5.02 116.55 109.83 3hhw n ASP 272 Ca -0.08 -2.87 -0.22 0.00 0.71 0.00 0.00 54.79 52.32 3hhw n ASP 272 Cb 0.35 -0.64 -0.00 0.00 -0.02 0.00 0.00 41.12 40.80 3hhw n ASP 272 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3hhw s SER 273 N -1.34 4.95 0.36 -2.24 0.15 -1.26 -4.83 113.70 109.48 3hhw s SER 273 Ca 0.35 -0.92 0.23 0.00 0.70 0.00 0.00 55.95 56.31 3hhw s SER 273 Cb 0.13 -0.05 0.30 0.00 -1.71 0.00 0.00 66.02 64.69 3hhw s SER 273 CO -0.10 -0.96 1.48 1.88 1.20 0.00 0.00 173.24 176.74 3hhw h TYR 274 N 0.73 0.00 0.00 3.44 0.99 -1.92 -3.40 116.97 116.81 3hhw h TYR 274 Ca -0.37 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.30 3hhw h TYR 274 Cb 1.28 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 39.01 3hhw h TYR 274 CO 0.65 0.00 -0.29 0.00 -0.00 0.00 0.00 178.16 178.52 3hhw h MET 275 N 0.00 0.00 0.00 4.88 -0.00 -1.87 -2.48 114.93 115.46 3hhw h MET 275 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3hhw h MET 275 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.57 3hhw h MET 275 CO 0.00 0.29 0.00 -2.30 -0.00 0.00 0.00 176.91 174.90 3hhw n PRO 276 N -4.17 0.26 -1.29 -0.10 -0.02 -1.26 -2.45 135.00 125.97 3hhw n PRO 276 Ca -0.02 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.50 3hhw n PRO 276 Cb 0.34 -1.45 0.04 0.00 -0.02 0.00 0.00 33.50 32.41 3hhw n PRO 276 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hhw n TYR 277 N -0.95 0.00 -0.25 6.00 4.01 -0.93 -1.70 117.16 123.34 3hhw n TYR 277 Ca 0.05 -0.54 0.18 0.00 -0.16 0.00 0.00 57.90 57.43 3hhw n TYR 277 Cb 0.03 -0.15 0.48 0.00 -0.31 0.00 0.00 39.34 39.39 3hhw n TYR 277 CO 0.00 0.00 0.00 1.37 -0.46 0.00 0.00 176.86 177.77 3hhw h LEU 278 N 0.87 0.46 0.01 7.72 8.10 -1.54 -0.68 115.31 130.26 3hhw h LEU 278 Ca -0.18 0.05 -0.00 0.00 0.11 0.00 0.00 57.88 57.85 3hhw h LEU 278 Cb 1.75 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 41.93 3hhw h LEU 278 CO 0.08 0.19 -0.01 0.40 -4.11 0.00 0.00 178.44 174.99 3hhw h ILE 279 N 0.47 1.54 -0.27 0.15 1.08 -1.89 -0.35 117.51 118.22 3hhw h ILE 279 Ca 0.47 -1.98 -0.03 0.00 -0.39 0.00 0.00 64.86 62.93 3hhw h ILE 279 Cb 1.09 2.82 -0.02 0.00 -3.07 0.00 0.00 36.82 37.65 3hhw h ILE 279 CO -0.19 0.49 0.04 0.44 -0.69 0.00 0.00 178.15 178.24 3hhw h ASP 280 N -0.91 0.36 0.13 1.72 3.32 -1.77 -0.44 116.42 118.82 3hhw h ASP 280 Ca -0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3hhw h ASP 280 Cb 0.81 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.27 3hhw h ASP 280 CO 0.00 0.39 -0.03 0.49 -1.72 0.00 0.00 179.24 178.37 3hhw n PHE 281 N -4.36 0.00 -1.10 4.55 3.72 -0.30 -3.41 117.46 116.56 3hhw n PHE 281 Ca 0.01 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.38 3hhw n PHE 281 Cb 0.18 -0.07 -0.01 0.00 -0.94 0.00 0.00 39.48 38.64 3hhw n PHE 281 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hhw n GLY 282 N 1.14 0.58 0.23 1.37 0.00 -0.17 -4.89 105.19 103.45 3hhw n GLY 282 Ca 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 3hhw n GLY 282 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hhw h LEU 283 N 0.00 0.33 -7.95 0.99 3.38 -1.36 -3.45 115.31 107.25 3hhw h LEU 283 Ca -0.07 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.64 3hhw h LEU 283 Cb 0.47 -0.09 -0.20 0.00 0.09 0.00 0.00 40.66 40.93 3hhw h LEU 283 CO 0.10 0.59 -0.66 -0.55 0.09 0.00 0.00 178.44 178.01 3hhw s SER 284 N -6.85 0.22 -0.01 -0.43 0.15 -0.30 -4.52 113.70 101.97 3hhw s SER 284 Ca -0.06 -0.48 0.08 0.00 0.70 0.00 0.00 55.95 56.19 3hhw s SER 284 Cb 0.14 0.13 -0.11 0.00 -1.71 0.00 0.00 66.02 64.46 3hhw s SER 284 CO 0.77 -0.34 0.19 -1.54 1.20 0.00 0.00 173.24 173.52 3hhw n SER 285 N 1.46 2.86 -3.79 5.45 3.41 -1.26 -4.22 113.62 117.53 3hhw n SER 285 Ca -0.23 -0.09 -0.30 0.00 -0.26 0.00 0.00 58.87 57.99 3hhw n SER 285 Cb 0.56 1.30 -0.14 0.00 -0.26 0.00 0.00 64.21 65.67 3hhw n SER 285 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hhw s LYS 286 N -2.42 1.26 0.08 4.33 3.01 -1.26 -5.04 119.74 119.69 3hhw s LYS 286 Ca -0.02 -1.83 -0.31 0.00 -1.01 0.00 0.00 55.97 52.80 3hhw s LYS 286 Cb 0.05 -2.50 -0.08 0.00 -1.01 0.00 0.00 37.83 34.29 3hhw s LYS 286 CO 0.32 -1.08 1.64 0.45 0.51 0.00 0.00 175.35 177.19 3hhw s SER 287 N 0.66 6.60 0.19 2.83 0.15 -1.26 -0.99 113.70 121.88 3hhw s SER 287 Ca 0.15 2.50 0.18 0.00 0.70 0.00 0.00 55.95 59.48 3hhw s SER 287 Cb -0.22 -2.57 0.83 0.00 -1.71 0.00 0.00 66.02 62.35 3hhw s SER 287 CO -0.07 -0.88 1.55 -2.65 1.20 0.00 0.00 173.24 172.40 3hhw n PRO 288 N 5.37 0.12 -0.18 5.44 -0.02 -1.26 -3.11 135.00 141.36 3hhw n PRO 288 Ca 0.16 0.46 0.07 0.00 -2.02 0.00 0.00 63.50 62.16 3hhw n PRO 288 Cb 0.40 -1.78 0.14 0.00 -0.02 0.00 0.00 33.50 32.25 3hhw n PRO 288 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hhw n TYR 289 N -2.01 0.34 -2.35 6.00 4.01 -1.26 -4.62 117.16 117.26 3hhw n TYR 289 Ca 0.01 -0.77 -0.37 0.00 -0.16 0.00 0.00 57.90 56.61 3hhw n TYR 289 Cb 0.13 -0.15 -0.02 0.00 -0.31 0.00 0.00 39.34 38.99 3hhw n TYR 289 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3hhw s TRP 290 N -2.12 3.06 0.40 -0.72 0.51 -1.18 -1.62 118.94 117.27 3hhw s TRP 290 Ca 0.26 1.57 0.08 0.00 -2.12 0.00 0.00 56.10 55.89 3hhw s TRP 290 Cb 0.21 -3.31 0.84 0.00 -0.81 0.00 0.00 33.47 30.40 3hhw s TRP 290 CO 0.06 -1.18 2.02 0.77 -0.51 0.00 0.00 176.95 178.11 3hhw h SER 291 N 2.39 0.39 -0.23 2.95 0.02 -1.89 -2.66 113.55 114.52 3hhw h SER 291 Ca -0.49 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.41 3hhw h SER 291 Cb 1.23 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.66 3hhw h SER 291 CO 0.62 0.35 0.08 0.58 -1.14 0.00 0.00 176.83 177.32 3hhw h VAL 292 N 0.44 1.14 -0.01 2.27 2.07 -1.96 -2.24 116.25 117.96 3hhw h VAL 292 Ca 0.11 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3hhw h VAL 292 Cb 0.07 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3hhw h VAL 292 CO -0.01 0.17 -0.12 0.29 0.02 0.00 0.00 177.57 177.92 3hhw n LYS 293 N -4.38 1.38 -3.17 1.57 4.76 -1.02 -4.20 118.16 113.10 3hhw n LYS 293 Ca 0.01 -0.87 -0.22 0.00 -2.87 0.00 0.00 58.31 54.37 3hhw n LYS 293 Cb 0.16 -1.48 -0.05 0.00 -1.84 0.00 0.00 35.03 31.82 3hhw n LYS 293 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3hhw n ASN 294 N -0.05 1.36 -0.17 4.39 4.13 -0.86 -4.99 115.26 119.07 3hhw n ASN 294 Ca 0.15 -3.04 -0.10 0.00 1.68 0.00 0.00 54.58 53.27 3hhw n ASN 294 Cb 0.38 -0.62 0.00 0.00 -1.54 0.00 0.00 39.78 38.00 3hhw n ASN 294 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 3hhw h PRO 295 N 3.38 0.88 -0.19 3.52 0.11 -1.69 -2.32 132.00 135.70 3hhw h PRO 295 Ca 0.10 -0.29 -0.03 0.00 0.11 0.00 0.00 66.00 65.90 3hhw h PRO 295 Cb 0.86 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 3hhw h PRO 295 CO 0.56 0.92 0.02 0.00 -0.21 0.00 0.00 178.00 179.29 3hhw h ALA 296 N 0.93 0.25 -0.48 -0.75 0.00 -1.90 -1.99 119.26 115.32 3hhw h ALA 296 Ca 0.14 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hhw h ALA 296 Cb 0.53 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3hhw h ALA 296 CO 0.03 -0.06 0.31 0.35 0.00 0.00 0.00 179.25 179.88 3hhw h PHE 297 N 0.10 0.59 -0.05 0.00 3.57 -1.87 0.20 116.94 119.47 3hhw h PHE 297 Ca 0.06 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.61 3hhw h PHE 297 Cb 0.34 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 3hhw h PHE 297 CO 0.03 0.36 -0.28 1.25 -2.23 0.00 0.00 178.31 177.44 3hhw h HIS 298 N 0.63 -0.76 0.51 0.41 2.76 -1.27 0.41 115.15 117.84 3hhw h HIS 298 Ca 0.18 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.36 3hhw h HIS 298 Cb -0.05 0.35 -0.00 0.00 1.55 0.00 0.00 27.41 29.25 3hhw h HIS 298 CO -0.05 -0.37 -0.30 0.35 -1.30 0.00 0.00 177.93 176.26 3hhw h PHE 299 N -0.40 -0.78 -0.78 5.26 3.57 -1.13 -0.43 116.94 122.24 3hhw h PHE 299 Ca 0.08 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.67 3hhw h PHE 299 Cb 0.51 0.28 -0.08 0.00 2.79 0.00 0.00 35.95 39.45 3hhw h PHE 299 CO -0.34 -0.46 0.42 2.35 -2.23 0.00 0.00 178.31 178.05 3hhw h TRP 300 N -0.76 0.75 0.08 0.41 7.01 -0.76 -1.36 115.95 121.32 3hhw h TRP 300 Ca -0.06 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 60.97 3hhw h TRP 300 Cb 0.62 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.46 3hhw h TRP 300 CO -0.08 0.27 -0.04 0.78 -2.79 0.00 0.00 178.44 176.57 3hhw h GLY 301 N 0.68 -0.11 1.03 2.65 0.00 -0.01 -2.78 103.07 104.53 3hhw h GLY 301 Ca 0.39 0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.70 3hhw h GLY 301 CO -0.28 -0.04 0.13 1.46 0.00 0.00 0.00 176.54 177.81 3hhw h GLN 302 N -0.59 1.01 -0.27 4.80 1.08 -0.94 -1.63 115.11 118.57 3hhw h GLN 302 Ca -0.01 -0.25 -0.00 0.00 -1.45 0.00 0.00 58.65 56.93 3hhw h GLN 302 Cb 0.49 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 3hhw h GLN 302 CO 0.02 0.93 0.15 1.25 -0.95 0.00 0.00 178.83 180.23 3hhw h LEU 303 N 0.92 0.33 -0.33 1.46 5.85 -1.34 0.17 115.31 122.38 3hhw h LEU 303 Ca 0.19 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.87 3hhw h LEU 303 Cb 0.38 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3hhw h LEU 303 CO 0.01 0.31 0.12 0.74 -0.34 0.00 0.00 178.44 179.28 3hhw h THR 304 N 0.33 0.91 -0.91 1.05 2.02 -1.38 -0.52 112.91 114.41 3hhw h THR 304 Ca 0.10 -0.09 0.02 0.00 0.77 0.00 0.00 66.41 67.21 3hhw h THR 304 Cb 0.05 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 67.04 3hhw h THR 304 CO -0.02 0.05 0.60 0.00 0.37 0.00 0.00 175.52 176.52 3hhw h ALA 305 N 1.21 1.18 -0.26 6.16 0.00 -0.99 -2.04 119.26 124.51 3hhw h ALA 305 Ca 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3hhw h ALA 305 Cb 0.12 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3hhw h ALA 305 CO -0.15 0.51 0.10 1.25 0.00 0.00 0.00 179.25 180.96 3hhw h LEU 306 N 1.20 0.37 -0.83 0.00 5.85 0.05 -0.36 115.31 121.59 3hhw h LEU 306 Ca 0.35 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3hhw h LEU 306 Cb -0.08 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.85 3hhw h LEU 306 CO -0.09 0.44 0.00 0.18 -0.34 0.00 0.00 178.44 178.63 3hhw n LEU 307 N -4.76 0.53 -1.63 2.25 4.77 -0.27 -1.07 117.00 116.82 3hhw n LEU 307 Ca -0.03 0.67 0.07 0.00 -0.03 0.00 0.00 56.01 56.69 3hhw n LEU 307 Cb 0.14 -0.65 0.36 0.00 -2.33 0.00 0.00 43.42 40.94 3hhw n LEU 307 CO 0.36 -0.66 0.84 0.18 -1.33 0.00 0.00 177.39 176.78 3hhw n LEU 308 N -2.13 5.27 -0.04 2.23 4.77 -0.62 -4.90 117.00 121.58 3hhw n LEU 308 Ca 0.01 -2.98 -0.00 0.00 -0.03 0.00 0.00 56.01 53.01 3hhw n LEU 308 Cb 0.14 -0.65 -0.00 0.00 -2.33 0.00 0.00 43.42 40.58 3hhw n LEU 308 CO 0.15 0.65 -0.00 0.54 -1.33 0.00 0.00 177.39 177.39 3hhw n ARG 309 N 0.28 -0.03 -1.75 3.23 5.12 -0.23 -5.01 116.66 118.26 3hhw n ARG 309 Ca 0.27 0.29 -0.42 0.00 -1.93 0.00 0.00 57.85 56.06 3hhw n ARG 309 Cb 1.13 -3.81 -0.01 0.00 -1.16 0.00 0.00 32.46 28.62 3hhw n ARG 309 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3hhw n SER 310 N 1.93 3.72 -0.87 0.55 2.88 -0.24 -4.92 113.62 116.67 3hhw n SER 310 Ca -0.00 1.19 0.12 0.00 -1.33 0.00 0.00 58.87 58.84 3hhw n SER 310 Cb 0.24 -1.59 0.28 0.00 -0.75 0.00 0.00 64.21 62.38 3hhw n SER 310 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3hhw n THR 311 N 1.16 0.29 -0.12 2.46 -2.24 -1.26 -4.22 114.28 110.34 3hhw n THR 311 Ca 0.05 -0.53 -0.17 0.00 -2.27 0.00 0.00 64.05 61.12 3hhw n THR 311 Cb 0.38 0.80 -0.12 0.00 -2.10 0.00 0.00 70.33 69.29 3hhw n THR 311 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hhw n ARG 312 N 0.97 0.64 0.21 -0.78 1.74 -1.26 -4.73 116.66 113.45 3hhw n ARG 312 Ca 0.17 0.13 0.05 0.00 -0.77 0.00 0.00 57.85 57.44 3hhw n ARG 312 Cb 0.49 -1.50 0.46 0.00 -1.02 0.00 0.00 32.46 30.89 3hhw n ARG 312 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hhw h ALA 313 N 0.06 1.39 -0.83 7.54 0.00 -1.88 -3.17 119.26 122.38 3hhw h ALA 313 Ca -0.56 -0.26 0.20 0.00 0.00 0.00 0.00 54.91 54.29 3hhw h ALA 313 Cb 1.89 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 19.49 3hhw h ALA 313 CO -0.08 0.36 0.04 0.00 0.00 0.00 0.00 179.25 179.57 3hhw h ARG 314 N 0.00 0.10 -0.60 0.00 3.08 -1.85 -1.79 114.38 113.33 3hhw h ARG 314 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3hhw h ARG 314 Cb 0.55 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3hhw h ARG 314 CO 0.04 0.07 0.00 0.09 -1.07 0.00 0.00 179.97 179.09 3hhw n ASN 315 N -5.36 3.77 -4.72 7.04 3.02 -1.20 -2.16 115.26 115.65 3hhw n ASN 315 Ca 0.17 -2.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.30 3hhw n ASN 315 Cb 0.56 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 3hhw n ASN 315 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hhw s ALA 316 N -1.17 3.63 0.11 5.41 0.00 -0.67 -4.86 121.76 124.21 3hhw s ALA 316 Ca 0.45 1.21 -0.31 0.00 0.00 0.00 0.00 51.96 53.31 3hhw s ALA 316 Cb 0.24 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 3hhw s ALA 316 CO 0.32 -0.66 1.62 0.50 0.00 0.00 0.00 175.76 177.54 3hhw s ARG 317 N 0.66 4.21 -0.12 0.00 3.52 -1.26 -0.24 118.95 125.70 3hhw s ARG 317 Ca 0.64 2.34 -0.29 0.00 -0.13 0.00 0.00 55.73 58.29 3hhw s ARG 317 Cb -0.39 -3.41 -0.02 0.00 -1.56 0.00 0.00 34.95 29.57 3hhw s ARG 317 CO 0.34 -0.68 1.30 -1.14 -0.81 0.00 0.00 175.30 174.31 3hhw s GLN 318 N 1.99 4.25 0.84 5.12 0.74 0.25 -4.69 119.66 128.16 3hhw s GLN 318 Ca 0.72 1.74 -0.12 0.00 0.05 0.00 0.00 55.36 57.75 3hhw s GLN 318 Cb -0.42 -3.74 0.10 0.00 1.10 0.00 0.00 33.01 30.05 3hhw s GLN 318 CO 0.32 -0.67 1.11 -2.14 -0.55 0.00 0.00 175.29 173.36 3hhw s PRO 319 N 3.24 1.72 0.43 1.67 0.02 -1.26 -4.84 135.00 135.99 3hhw s PRO 319 Ca 0.57 0.56 0.06 0.00 0.02 0.00 0.00 61.00 62.22 3hhw s PRO 319 Cb -0.24 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.34 3hhw s PRO 319 CO 0.18 -1.85 0.11 0.16 -0.33 0.00 0.00 177.00 175.27 3hhw s ASP 320 N -3.88 4.20 -1.07 2.53 1.47 -1.26 -4.81 116.67 113.85 3hhw s ASP 320 Ca 0.62 -1.26 -0.06 0.00 1.18 0.00 0.00 52.55 53.02 3hhw s ASP 320 Cb -0.15 -0.28 0.01 0.00 -0.34 0.00 0.00 42.92 42.15 3hhw s ASP 320 CO 0.54 -0.58 0.93 0.47 0.68 0.00 0.00 175.17 177.22 3hhw n ASP 321 N -1.17 -5.08 -4.27 2.11 8.00 -1.26 -5.04 116.55 109.84 3hhw n ASP 321 Ca -0.05 -0.44 -0.15 0.00 0.71 0.00 0.00 54.79 54.86 3hhw n ASP 321 Cb 0.66 -4.15 -0.10 0.00 -0.02 0.00 0.00 41.12 37.51 3hhw n ASP 321 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3hhw s ILE 322 N -3.26 1.00 -1.42 0.53 -4.36 -1.26 -5.05 121.20 107.38 3hhw s ILE 322 Ca 0.41 -2.03 -0.15 0.00 -0.26 0.00 0.00 60.65 58.62 3hhw s ILE 322 Cb -0.18 -2.08 0.04 0.00 1.25 0.00 0.00 42.46 41.49 3hhw s ILE 322 CO 0.58 -0.54 2.17 1.21 0.24 0.00 0.00 174.94 178.60 3hhw n GLU 323 N -0.28 2.83 -0.26 0.37 2.13 -1.26 -4.81 120.64 119.36 3hhw n GLU 323 Ca -0.08 -2.64 0.04 0.00 0.66 0.00 0.00 57.16 55.14 3hhw n GLU 323 Cb 0.62 -3.30 0.17 0.00 0.27 0.00 0.00 31.44 29.20 3hhw n GLU 323 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 3hhw h TYR 324 N 6.24 0.63 -0.32 4.31 0.05 -1.98 -2.35 116.97 123.55 3hhw h TYR 324 Ca 0.55 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 59.36 3hhw h TYR 324 Cb 0.67 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 38.22 3hhw h TYR 324 CO 1.45 0.18 0.18 1.79 -1.05 0.00 0.00 178.16 180.71 3hhw h THR 325 N 0.57 1.13 -0.21 -2.88 1.35 -2.00 0.17 112.91 111.04 3hhw h THR 325 Ca 0.39 -0.33 -0.08 0.00 -0.55 0.00 0.00 66.41 65.84 3hhw h THR 325 Cb 0.49 0.77 -0.00 0.00 -1.73 0.00 0.00 68.15 67.67 3hhw h THR 325 CO -0.32 0.13 -0.17 0.28 -0.25 0.00 0.00 175.52 175.19 3hhw h SER 326 N 0.40 0.52 -0.47 5.36 0.02 -1.93 -2.65 113.55 114.80 3hhw h SER 326 Ca 0.11 -0.46 0.03 0.00 -0.84 0.00 0.00 61.79 60.63 3hhw h SER 326 Cb 0.05 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 3hhw h SER 326 CO -0.02 0.87 0.26 -0.07 -1.14 0.00 0.00 176.83 176.73 3hhw h LEU 327 N 0.18 0.41 -0.35 5.07 4.07 -1.30 -1.70 115.31 121.68 3hhw h LEU 327 Ca 0.04 0.01 0.04 0.00 0.08 0.00 0.00 57.88 58.05 3hhw h LEU 327 Cb 0.70 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 42.33 3hhw h LEU 327 CO 0.04 0.29 0.11 0.74 -1.08 0.00 0.00 178.44 178.55 3hhw h THR 328 N 0.52 0.89 -0.40 0.22 2.02 -0.58 0.50 112.91 116.07 3hhw h THR 328 Ca 0.19 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 3hhw h THR 328 Cb 0.05 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 3hhw h THR 328 CO -0.10 0.05 0.17 0.74 0.37 0.00 0.00 175.52 176.74 3hhw h THR 329 N 0.26 1.19 -0.61 3.16 2.02 -1.20 0.67 112.91 118.39 3hhw h THR 329 Ca 0.16 -0.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 3hhw h THR 329 Cb 0.14 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 3hhw h THR 329 CO -0.17 0.21 0.29 0.00 0.37 0.00 0.00 175.52 176.22 3hhw h ALA 330 N 1.01 0.79 -0.52 6.16 0.00 -1.08 -0.87 119.26 124.74 3hhw h ALA 330 Ca 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hhw h ALA 330 Cb 0.18 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3hhw h ALA 330 CO -0.01 0.35 0.34 0.78 0.00 0.00 0.00 179.25 180.71 3hhw h GLY 331 N 0.83 0.74 0.88 0.00 0.00 -0.65 -2.11 103.07 102.78 3hhw h GLY 331 Ca 0.21 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 3hhw h GLY 331 CO -0.03 0.28 0.01 -2.00 0.00 0.00 0.00 176.54 174.80 3hhw h LEU 332 N 0.71 0.02 -0.35 3.11 5.85 -0.54 0.43 115.31 124.53 3hhw h LEU 332 Ca 0.19 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.86 3hhw h LEU 332 Cb -0.06 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 3hhw h LEU 332 CO -0.04 0.13 -0.00 0.25 -0.34 0.00 0.00 178.44 178.44 3hhw h LEU 333 N -0.10 -0.15 0.34 2.25 5.85 -1.13 0.25 115.31 122.63 3hhw h LEU 333 Ca 0.00 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3hhw h LEU 333 Cb 0.12 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3hhw h LEU 333 CO -0.00 -0.04 -0.16 0.22 -0.34 0.00 0.00 178.44 178.12 3hhw h TYR 334 N 0.10 -0.42 -0.77 1.25 3.20 -1.30 0.26 116.97 119.29 3hhw h TYR 334 Ca 0.17 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.17 3hhw h TYR 334 Cb 0.24 0.14 -0.10 0.00 1.54 0.00 0.00 36.73 38.55 3hhw h TYR 334 CO -0.25 -0.23 0.32 0.00 -1.64 0.00 0.00 178.16 176.36 3hhw h ALA 335 N 0.15 1.09 -0.39 1.82 0.00 -0.43 -1.99 119.26 119.51 3hhw h ALA 335 Ca -0.05 0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 3hhw h ALA 335 Cb 0.38 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3hhw h ALA 335 CO 0.08 -0.20 -0.38 -0.92 0.00 0.00 0.00 179.25 177.83 3hhw h TYR 336 N 0.46 1.12 -0.27 0.00 3.20 -0.27 -1.42 116.97 119.79 3hhw h TYR 336 Ca 0.42 -0.33 0.06 0.00 3.14 0.00 0.00 58.73 62.02 3hhw h TYR 336 Cb 0.64 -0.24 -0.06 0.00 1.54 0.00 0.00 36.73 38.61 3hhw h TYR 336 CO -0.16 1.16 -0.12 0.00 -1.64 0.00 0.00 178.16 177.40 3hhw h ALA 337 N 0.79 0.10 0.02 1.82 0.00 -0.21 -0.93 119.26 120.85 3hhw h ALA 337 Ca 0.06 0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.86 3hhw h ALA 337 Cb 0.97 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3hhw h ALA 337 CO 0.09 -0.53 -0.98 -0.39 0.00 0.00 0.00 179.25 177.45 3hhw h VAL 338 N -0.08 1.60 0.00 0.00 -1.51 -1.40 -2.50 116.25 112.36 3hhw h VAL 338 Ca 0.14 -3.05 0.00 0.00 -1.23 0.00 0.00 66.70 62.56 3hhw h VAL 338 Cb 0.30 2.71 0.00 0.00 -2.13 0.00 0.00 31.29 32.16 3hhw h VAL 338 CO -0.32 0.88 0.00 1.23 -1.23 0.00 0.00 177.57 178.12 3hhw h GLY 339 N 2.37 0.00 0.05 5.19 0.00 -1.08 -2.96 103.07 106.64 3hhw h GLY 339 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 3hhw h GLY 339 CO 0.14 0.00 -1.97 1.44 0.00 0.00 0.00 176.54 176.15 3hhw n SER 340 N -2.57 0.04 -3.69 0.19 7.64 -0.37 -4.72 113.62 110.14 3hhw n SER 340 Ca 0.03 0.02 -0.28 0.00 1.01 0.00 0.00 58.87 59.64 3hhw n SER 340 Cb 0.32 1.87 -0.10 0.00 -1.01 0.00 0.00 64.21 65.29 3hhw n SER 340 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3hhw n SER 341 N -2.31 3.50 0.09 6.43 7.64 -0.95 -4.87 113.62 123.15 3hhw n SER 341 Ca -0.05 -3.32 0.05 0.00 1.01 0.00 0.00 58.87 56.55 3hhw n SER 341 Cb 0.60 -0.74 0.47 0.00 -1.01 0.00 0.00 64.21 63.53 3hhw n SER 341 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hhw h ALA 342 N 4.85 1.74 -5.90 -0.43 0.00 -1.85 -3.45 119.26 114.22 3hhw h ALA 342 Ca 0.17 -0.06 -0.39 0.00 0.00 0.00 0.00 54.91 54.64 3hhw h ALA 342 Cb 0.71 -0.11 0.10 0.00 0.00 0.00 0.00 17.79 18.49 3hhw h ALA 342 CO 0.79 0.22 -0.78 -0.25 0.00 0.00 0.00 179.25 179.23 3hhw n ASP 343 N -4.45 -2.42 -4.75 0.00 8.00 -1.26 -4.94 116.55 106.73 3hhw n ASP 343 Ca 0.01 -0.70 -0.41 0.00 0.71 0.00 0.00 54.79 54.39 3hhw n ASP 343 Cb 0.11 -4.59 -0.02 0.00 -0.02 0.00 0.00 41.12 36.60 3hhw n ASP 343 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hhw s LEU 344 N -6.67 4.38 -0.02 0.64 1.43 -1.26 -5.02 118.68 112.16 3hhw s LEU 344 Ca 0.12 2.71 -0.10 0.00 -1.03 0.00 0.00 54.13 55.84 3hhw s LEU 344 Cb -0.06 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.55 3hhw s LEU 344 CO 0.77 -0.74 0.21 0.00 0.23 0.00 0.00 176.35 176.82 3hhw s ALA 345 N 0.00 -0.51 0.28 4.21 0.00 -1.26 -5.14 121.76 119.34 3hhw s ALA 345 Ca 0.60 0.18 -0.29 0.00 0.00 0.00 0.00 51.96 52.44 3hhw s ALA 345 Cb -0.43 -0.01 -0.10 0.00 0.00 0.00 0.00 23.12 22.58 3hhw s ALA 345 CO 0.44 -0.20 1.37 -1.14 0.00 0.00 0.00 175.76 176.23 3hhw s GLN 346 N -1.02 4.32 -0.13 0.00 0.74 -1.26 -4.93 119.66 117.37 3hhw s GLN 346 Ca -0.11 2.24 0.09 0.00 0.05 0.00 0.00 55.36 57.63 3hhw s GLN 346 Cb -0.06 -3.10 -0.15 0.00 1.10 0.00 0.00 33.01 30.81 3hhw s GLN 346 CO 0.02 -0.31 0.01 1.04 -0.55 0.00 0.00 175.29 175.50 3hhw n GLN 347 N 1.72 1.65 -4.23 1.67 1.13 -1.26 -5.03 117.38 113.03 3hhw n GLN 347 Ca 0.04 0.01 -0.18 0.00 -1.94 0.00 0.00 57.00 54.93 3hhw n GLN 347 Cb 0.41 -1.32 -0.12 0.00 0.11 0.00 0.00 30.24 29.31 3hhw n GLN 347 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3hhw s PHE 348 N -2.31 1.16 0.08 1.08 0.40 -1.26 -5.16 117.98 111.97 3hhw s PHE 348 Ca -0.09 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 55.84 3hhw s PHE 348 Cb 0.04 -0.67 -0.04 0.00 0.51 0.00 0.00 43.02 42.86 3hhw s PHE 348 CO 0.49 0.04 -0.06 0.00 0.70 0.00 0.00 175.22 176.38 3hhw n VAL 350 N 0.34 0.00 0.00 0.00 0.24 -1.26 -4.89 118.33 112.76 3hhw n VAL 350 Ca -0.15 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 3hhw n VAL 350 Cb 0.59 0.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 3hhw n VAL 350 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hhw n GLY 351 N 1.30 0.00 2.82 7.63 0.00 -1.26 -5.14 105.19 110.54 3hhw n GLY 351 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 3hhw n GLY 351 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3hhw s ASP 352 N 0.00 0.34 0.05 1.61 1.47 -1.26 -5.16 116.67 113.72 3hhw s ASP 352 Ca 0.00 -0.02 0.05 0.00 1.18 0.00 0.00 52.55 53.76 3hhw s ASP 352 Cb 0.00 -0.18 -0.02 0.00 -0.34 0.00 0.00 42.92 42.38 3hhw s ASP 352 CO 0.00 -0.09 -0.14 0.54 0.68 0.00 0.00 175.17 176.16 3hhw s ASN 353 N 0.94 1.60 0.15 2.11 4.22 -1.26 -4.81 114.94 117.88 3hhw s ASN 353 Ca -0.09 -0.51 -0.31 0.00 -2.14 0.00 0.00 52.86 49.80 3hhw s ASN 353 Cb -0.13 -0.08 -0.09 0.00 1.28 0.00 0.00 41.25 42.24 3hhw s ASN 353 CO -0.02 -0.02 1.48 -0.75 -2.04 0.00 0.00 177.10 175.75 3hhw s LYS 354 N -1.36 4.27 -0.15 3.55 2.20 -1.26 -5.00 119.74 121.99 3hhw s LYS 354 Ca -0.00 2.23 -0.07 0.00 -0.36 0.00 0.00 55.97 57.77 3hhw s LYS 354 Cb -0.09 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 33.00 3hhw s LYS 354 CO 0.02 -0.52 0.09 0.71 -0.36 0.00 0.00 175.35 175.29 3hhw s TYR 355 N 1.04 3.38 -0.04 4.03 2.02 -1.26 -4.90 117.35 121.62 3hhw s TYR 355 Ca 0.67 0.30 0.06 0.00 -0.37 0.00 0.00 57.07 57.73 3hhw s TYR 355 Cb -0.41 -1.99 -0.09 0.00 -0.40 0.00 0.00 41.96 39.07 3hhw s TYR 355 CO 0.32 0.44 0.07 2.41 -1.57 0.00 0.00 175.55 177.21 3hhw n THR 356 N 2.74 0.28 0.08 -0.71 -1.04 -1.26 -4.67 114.28 109.70 3hhw n THR 356 Ca -0.18 -0.23 0.01 0.00 -2.04 0.00 0.00 64.05 61.60 3hhw n THR 356 Cb 0.53 -0.41 0.03 0.00 -1.82 0.00 0.00 70.33 68.67 3hhw n THR 356 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3hhw n PRO 357 N -2.06 0.04 -0.06 -2.82 -0.04 -1.26 -1.20 135.00 127.60 3hhw n PRO 357 Ca -0.07 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.37 3hhw n PRO 357 Cb 0.52 -1.43 -0.15 0.00 -0.04 0.00 0.00 33.50 32.40 3hhw n PRO 357 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3hhw n ASP 358 N -0.93 0.45 -3.68 3.54 9.92 -1.26 -4.97 116.55 119.61 3hhw n ASP 358 Ca 0.01 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.17 3hhw n ASP 358 Cb 0.00 1.31 -0.10 0.00 -0.64 0.00 0.00 41.12 41.69 3hhw n ASP 358 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3hhw s ASP 359 N -4.91 -0.53 0.00 -2.24 2.15 -0.34 -5.03 116.67 105.77 3hhw s ASP 359 Ca -0.08 0.98 0.00 0.00 0.43 0.00 0.00 52.55 53.87 3hhw s ASP 359 Cb 0.08 0.94 0.00 0.00 -0.30 0.00 0.00 42.92 43.64 3hhw s ASP 359 CO 0.78 -0.20 0.00 -1.20 -0.17 0.00 0.00 175.17 174.38 3hhw n SER 360 N 4.45 1.76 -3.68 -0.34 7.64 -1.26 -4.72 113.62 117.48 3hhw n SER 360 Ca -0.21 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.55 3hhw n SER 360 Cb 0.55 0.16 -0.12 0.00 -1.01 0.00 0.00 64.21 63.78 3hhw n SER 360 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3hhw s THR 361 N -1.36 -0.37 0.58 0.44 2.01 -1.26 -5.13 115.64 110.54 3hhw s THR 361 Ca 0.00 0.22 0.09 0.00 0.31 0.00 0.00 61.69 62.30 3hhw s THR 361 Cb 0.00 -0.50 0.10 0.00 0.01 0.00 0.00 72.50 72.11 3hhw s THR 361 CO 0.00 0.09 0.80 0.61 -0.69 0.00 0.00 174.62 175.43 3hhw n GLY 362 N 5.08 1.85 3.66 4.40 0.00 -1.26 -5.06 105.19 113.86 3hhw n GLY 362 Ca -0.11 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.27 3hhw n GLY 362 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hhw s GLY 363 N -4.60 1.66 0.00 -0.02 0.00 -1.26 -4.18 107.32 98.92 3hhw s GLY 363 Ca 0.60 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.76 3hhw s GLY 363 CO 0.38 2.47 0.00 1.04 0.00 0.00 0.00 173.10 176.99 3hhw n LEU 364 N 6.56 0.00 -4.57 0.66 4.32 -1.26 -4.91 117.00 117.80 3hhw n LEU 364 Ca 0.14 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 55.88 3hhw n LEU 364 Cb 0.45 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.19 3hhw n LEU 364 CO 0.56 0.00 1.36 -0.89 -1.22 0.00 0.00 177.39 177.20 3hhw s THR 365 N -0.01 3.39 0.00 -5.08 2.01 -1.26 -4.58 115.64 110.11 3hhw s THR 365 Ca 0.00 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.49 3hhw s THR 365 Cb 0.00 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.39 3hhw s THR 365 CO 0.00 -0.77 0.00 1.07 -0.69 0.00 0.00 174.62 174.23 3hhw n THR 366 N 8.07 0.00 -3.07 -0.82 5.66 -1.26 -4.75 114.28 118.11 3hhw n THR 366 Ca 0.43 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 61.22 3hhw n THR 366 Cb 0.46 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.25 3hhw n THR 366 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 3hhw n ASN 367 N 0.00 -4.50 -4.18 1.09 2.85 -1.26 -4.99 115.26 104.26 3hhw n ASN 367 Ca 0.00 -0.25 -0.11 0.00 -0.11 0.00 0.00 54.58 54.11 3hhw n ASN 367 Cb 0.00 -3.71 -0.10 0.00 1.24 0.00 0.00 39.78 37.21 3hhw n ASN 367 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hhw s ALA 368 N -2.95 1.05 0.76 5.20 0.00 -1.26 -5.16 121.76 119.40 3hhw s ALA 368 Ca 0.29 -1.41 -0.12 0.00 0.00 0.00 0.00 51.96 50.72 3hhw s ALA 368 Cb -0.15 0.28 0.05 0.00 0.00 0.00 0.00 23.12 23.31 3hhw s ALA 368 CO 0.36 -0.27 1.11 -2.14 0.00 0.00 0.00 175.76 174.82 3hhw s PRO 369 N -3.86 2.24 0.45 0.00 0.02 -1.26 -4.98 135.00 127.61 3hhw s PRO 369 Ca 0.15 1.29 -0.24 0.00 0.02 0.00 0.00 61.00 62.22 3hhw s PRO 369 Cb 0.06 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.60 3hhw s PRO 369 CO -0.03 -1.67 1.18 -2.30 -0.33 0.00 0.00 177.00 173.86 3hhw n PRO 370 N -3.30 1.65 0.00 5.54 -0.02 -1.26 -4.93 135.00 132.68 3hhw n PRO 370 Ca 0.10 0.59 0.12 0.00 -2.02 0.00 0.00 63.50 62.29 3hhw n PRO 370 Cb 0.53 -2.29 0.21 0.00 -0.02 0.00 0.00 33.50 31.93 3hhw n PRO 370 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hhw n GLN 371 N -0.12 0.03 -0.37 -0.52 10.64 -1.26 -4.87 117.38 120.91 3hhw n GLN 371 Ca 0.08 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.26 3hhw n GLN 371 Cb 0.41 -1.51 0.00 0.00 -0.86 0.00 0.00 30.24 28.27 3hhw n GLN 371 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3hhw n GLY 372 N 1.49 0.76 0.73 2.61 0.00 -1.26 -4.73 105.19 104.79 3hhw n GLY 372 Ca 0.05 -1.92 0.06 0.00 0.00 0.00 0.00 46.02 44.21 3hhw n GLY 372 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hhw n ARG 373 N -0.62 0.98 -2.34 1.61 1.74 -1.26 -4.84 116.66 111.92 3hhw n ARG 373 Ca 0.00 -2.63 -0.42 0.00 -0.77 0.00 0.00 57.85 54.03 3hhw n ARG 373 Cb 0.00 -1.07 -0.03 0.00 -1.02 0.00 0.00 32.46 30.34 3hhw n ARG 373 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hhw s ASP 374 N -2.65 6.97 0.27 0.55 -1.08 -1.26 -4.93 116.67 114.53 3hhw s ASP 374 Ca 0.32 2.00 -0.01 0.00 -0.52 0.00 0.00 52.55 54.35 3hhw s ASP 374 Cb 0.33 -2.57 0.51 0.00 -1.46 0.00 0.00 42.92 39.73 3hhw s ASP 374 CO -0.07 -0.62 1.81 -0.37 0.52 0.00 0.00 175.17 176.44 3hhw h VAL 375 N 4.82 0.87 -0.37 1.11 -1.51 -1.96 -2.76 116.25 116.44 3hhw h VAL 375 Ca -0.38 -0.29 -0.03 0.00 -1.23 0.00 0.00 66.70 64.77 3hhw h VAL 375 Cb 1.18 -0.06 -0.02 0.00 -2.13 0.00 0.00 31.29 30.27 3hhw h VAL 375 CO 0.87 0.15 0.11 0.58 -1.23 0.00 0.00 177.57 178.05 3hhw h VAL 376 N 0.85 1.22 -0.58 7.19 2.07 -1.95 0.42 116.25 125.46 3hhw h VAL 376 Ca 0.47 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 3hhw h VAL 376 Cb 0.51 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3hhw h VAL 376 CO -0.29 0.25 0.08 -0.33 0.02 0.00 0.00 177.57 177.30 3hhw h GLU 377 N 0.46 0.97 -0.33 1.57 5.08 -1.96 -1.54 114.58 118.83 3hhw h GLU 377 Ca 0.12 -0.27 -0.17 0.00 -1.00 0.00 0.00 59.36 58.04 3hhw h GLU 377 Cb 0.28 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 3hhw h GLU 377 CO -0.00 0.93 -0.45 -1.49 -1.00 0.00 0.00 179.01 177.00 3hhw h TRP 378 N 0.87 1.09 -0.82 4.33 4.06 -1.19 0.48 115.95 124.78 3hhw h TRP 378 Ca 0.17 -0.36 -0.00 0.00 2.06 0.00 0.00 58.89 60.77 3hhw h TRP 378 Cb 0.45 -0.22 -0.04 0.00 -1.00 0.00 0.00 29.16 28.35 3hhw h TRP 378 CO 0.03 1.18 0.51 -0.07 -3.56 0.00 0.00 178.44 176.53 3hhw h LEU 379 N 0.69 0.97 -0.39 -4.49 3.38 -0.14 0.18 115.31 115.51 3hhw h LEU 379 Ca 0.04 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3hhw h LEU 379 Cb 1.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 3hhw h LEU 379 CO 0.11 0.74 0.08 1.23 0.09 0.00 0.00 178.44 180.68 3hhw h GLY 380 N 1.14 0.69 1.05 0.83 0.00 -1.04 -2.53 103.07 103.21 3hhw h GLY 380 Ca 0.30 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 3hhw h GLY 380 CO -0.06 0.41 0.10 -0.25 0.00 0.00 0.00 176.54 176.74 3hhw h TRP 381 N 0.49 1.11 -0.41 5.60 7.01 -0.49 -2.78 115.95 126.48 3hhw h TRP 381 Ca 0.12 -0.16 -0.06 0.00 2.11 0.00 0.00 58.89 60.90 3hhw h TRP 381 Cb 0.34 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.08 3hhw h TRP 381 CO 0.02 0.94 -0.00 0.35 -2.79 0.00 0.00 178.44 176.96 3hhw h PHE 382 N 0.95 0.69 0.00 2.65 3.57 -0.60 -1.85 116.94 122.35 3hhw h PHE 382 Ca 0.19 -0.08 -0.12 0.00 3.53 0.00 0.00 57.97 61.49 3hhw h PHE 382 Cb 0.44 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3hhw h PHE 382 CO 0.03 0.66 -0.57 1.49 -2.23 0.00 0.00 178.31 177.70 3hhw h GLU 383 N 0.62 0.00 -0.11 1.11 4.81 -1.35 -0.81 114.58 118.85 3hhw h GLU 383 Ca 0.13 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 3hhw h GLU 383 Cb 0.40 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3hhw h GLU 383 CO 0.02 0.57 -0.39 -0.44 -0.73 0.00 0.00 179.01 178.03 3hhw h ASP 384 N 0.00 0.24 -0.10 1.04 3.32 -1.19 -2.66 116.42 117.08 3hhw h ASP 384 Ca -0.01 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 3hhw h ASP 384 Cb 1.13 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 3hhw h ASP 384 CO 0.07 0.62 0.02 0.00 -1.72 0.00 0.00 179.24 178.23 3hhw n GLN 385 N -4.05 1.54 -1.77 3.56 3.00 -0.73 -4.86 117.38 114.08 3hhw n GLN 385 Ca -0.01 -0.49 -0.19 0.00 -0.01 0.00 0.00 57.00 56.30 3hhw n GLN 385 Cb 0.46 -1.55 -0.06 0.00 0.00 0.00 0.00 30.24 29.09 3hhw n GLN 385 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3hhw n ASN 386 N 0.12 -5.02 -0.70 1.08 4.13 -1.00 -2.72 115.26 111.15 3hhw n ASN 386 Ca 0.05 0.35 -0.09 0.00 1.68 0.00 0.00 54.58 56.57 3hhw n ASN 386 Cb 0.45 -4.40 -0.04 0.00 -1.54 0.00 0.00 39.78 34.24 3hhw n ASN 386 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3hhw n ARG 387 N -2.42 -1.27 -4.95 3.52 1.74 -0.36 -4.99 116.66 107.93 3hhw n ARG 387 Ca -0.19 0.77 -0.33 0.00 -0.77 0.00 0.00 57.85 57.33 3hhw n ARG 387 Cb 0.63 -4.92 -0.15 0.00 -1.02 0.00 0.00 32.46 26.99 3hhw n ARG 387 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3hhw s LYS 388 N -2.57 3.06 0.52 5.56 -0.14 -1.10 -5.06 119.74 120.00 3hhw s LYS 388 Ca 0.00 -0.75 -0.21 0.00 -1.36 0.00 0.00 55.97 53.65 3hhw s LYS 388 Cb 0.00 -2.46 -0.08 0.00 -1.68 0.00 0.00 37.83 33.60 3hhw s LYS 388 CO 0.00 0.30 0.83 -2.30 -0.76 0.00 0.00 175.35 173.42 3hhw n PRO 389 N 3.24 0.92 -2.98 -1.68 -0.02 -1.26 -4.93 135.00 128.29 3hhw n PRO 389 Ca -0.18 0.34 -0.28 0.00 -2.02 0.00 0.00 63.50 61.36 3hhw n PRO 389 Cb 0.53 -1.96 -0.02 0.00 -0.02 0.00 0.00 33.50 32.03 3hhw n PRO 389 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hhw s THR 390 N -1.49 4.93 0.33 3.45 -4.23 -1.26 -4.91 115.64 112.46 3hhw s THR 390 Ca 0.69 0.21 0.12 0.00 -1.18 0.00 0.00 61.69 61.53 3hhw s THR 390 Cb -0.48 -3.79 0.33 0.00 1.34 0.00 0.00 72.50 69.89 3hhw s THR 390 CO 0.53 -0.58 1.71 -0.65 -0.54 0.00 0.00 174.62 175.09 3hhw h PRO 391 N 0.98 0.46 -0.22 3.99 0.11 -1.99 0.75 132.00 136.08 3hhw h PRO 391 Ca -0.48 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.44 3hhw h PRO 391 Cb 1.20 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3hhw h PRO 391 CO 0.63 0.30 -0.54 0.22 -0.21 0.00 0.00 178.00 178.41 3hhw h ASP 392 N 0.47 0.73 -0.90 -2.05 1.82 -1.98 0.13 116.42 114.63 3hhw h ASP 392 Ca 0.68 -0.39 -0.01 0.00 -0.39 0.00 0.00 57.03 56.92 3hhw h ASP 392 Cb 1.43 -0.21 -0.04 0.00 0.68 0.00 0.00 39.33 41.19 3hhw h ASP 392 CO -0.51 1.13 0.53 0.24 -1.61 0.00 0.00 179.24 179.02 3hhw h MET 393 N 0.51 1.23 -0.27 0.28 2.86 -1.55 -1.42 114.93 116.58 3hhw h MET 393 Ca 0.01 -0.12 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 3hhw h MET 393 Cb 1.10 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 3hhw h MET 393 CO 0.11 0.87 -0.10 0.52 1.06 0.00 0.00 176.91 179.37 3hhw h MET 394 N 1.24 0.54 -0.21 1.72 2.86 -0.50 -2.59 114.93 118.00 3hhw h MET 394 Ca 0.32 -0.23 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 3hhw h MET 394 Cb -0.04 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3hhw h MET 394 CO -0.06 0.78 -0.16 1.96 1.06 0.00 0.00 176.91 180.49 3hhw h GLN 395 N 0.29 0.35 0.22 1.72 1.08 -0.66 -0.27 115.11 117.83 3hhw h GLN 395 Ca 0.06 -0.10 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3hhw h GLN 395 Cb 0.60 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 3hhw h GLN 395 CO 0.03 0.51 -0.16 -0.92 -0.95 0.00 0.00 178.83 177.34 3hhw h TYR 396 N 0.32 -0.42 -0.56 2.96 3.20 -1.18 -1.06 116.97 120.23 3hhw h TYR 396 Ca 0.06 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3hhw h TYR 396 Cb 0.47 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.87 3hhw h TYR 396 CO 0.01 -0.25 0.28 0.00 -1.64 0.00 0.00 178.16 176.57 3hhw h ALA 397 N 0.37 0.72 -0.43 1.82 0.00 -1.12 -1.85 119.26 118.77 3hhw h ALA 397 Ca -0.01 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.87 3hhw h ALA 397 Cb 0.34 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.82 3hhw h ALA 397 CO -0.00 0.27 -0.13 -0.22 0.00 0.00 0.00 179.25 179.18 3hhw h LYS 398 N 0.76 -0.02 0.00 0.00 1.63 -0.97 -1.90 116.57 116.06 3hhw h LYS 398 Ca 0.20 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.94 3hhw h LYS 398 Cb 0.09 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 3hhw h LYS 398 CO -0.03 -0.02 -0.29 0.00 -3.45 0.00 0.00 179.45 175.67 3hhw h ARG 399 N -0.02 0.00 0.00 1.90 3.08 -0.77 -1.13 114.38 117.44 3hhw h ARG 399 Ca 0.21 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.16 3hhw h ARG 399 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3hhw h ARG 399 CO -0.46 0.29 -0.46 0.00 -1.07 0.00 0.00 179.97 178.27 3hhw h ALA 400 N 1.71 0.92 0.00 0.04 0.00 -0.56 -3.36 119.26 118.02 3hhw h ALA 400 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3hhw h ALA 400 Cb 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3hhw h ALA 400 CO 0.04 0.57 -0.80 1.33 0.00 0.00 0.00 179.25 180.39 3hhw n VAL 401 N -3.53 0.00 0.31 0.00 0.24 -0.95 -4.73 118.33 109.67 3hhw n VAL 401 Ca -0.00 -0.24 0.16 0.00 -2.04 0.00 0.00 64.34 62.22 3hhw n VAL 401 Cb 0.57 0.66 0.74 0.00 -1.47 0.00 0.00 33.84 34.34 3hhw n VAL 401 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hhw h MET 402 N 0.00 0.00 -0.01 7.34 3.00 -1.36 -3.07 114.93 120.83 3hhw h MET 402 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.70 3hhw h MET 402 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.79 3hhw h MET 402 CO 0.00 0.00 -0.57 0.43 0.00 0.00 0.00 176.91 176.77 3hhw n SER 403 N -2.76 1.86 -4.72 -0.10 7.64 -1.26 -4.94 113.62 109.33 3hhw n SER 403 Ca -0.00 -1.43 -0.38 0.00 1.01 0.00 0.00 58.87 58.07 3hhw n SER 403 Cb 0.20 0.57 -0.06 0.00 -1.01 0.00 0.00 64.21 63.91 3hhw n SER 403 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 3hhw s LEU 404 N -2.56 4.29 0.25 -3.43 0.05 -1.16 -5.06 118.68 111.05 3hhw s LEU 404 Ca 0.17 0.93 0.10 0.00 0.05 0.00 0.00 54.13 55.37 3hhw s LEU 404 Cb 0.18 -2.81 -0.05 0.00 -2.05 0.00 0.00 46.19 41.46 3hhw s LEU 404 CO 0.62 -0.02 -0.17 0.00 -0.55 0.00 0.00 176.35 176.23 3hhw s GLN 405 N 0.63 1.53 -0.64 1.48 -2.07 -1.26 -4.84 119.66 114.49 3hhw s GLN 405 Ca 0.29 -1.70 -0.00 0.00 -1.82 0.00 0.00 55.36 52.13 3hhw s GLN 405 Cb -0.16 -1.47 0.00 0.00 -1.09 0.00 0.00 33.01 30.29 3hhw s GLN 405 CO 0.13 0.25 0.53 0.41 -1.32 0.00 0.00 175.29 175.29 3hhw n GLY 406 N -0.52 0.03 3.81 2.60 0.00 -1.26 -5.02 105.19 104.82 3hhw n GLY 406 Ca -0.06 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 3hhw n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hhw s LEU 407 N -4.29 4.50 0.57 0.99 1.43 -1.26 -5.08 118.68 115.53 3hhw s LEU 407 Ca 0.02 1.36 -0.03 0.00 -1.03 0.00 0.00 54.13 54.45 3hhw s LEU 407 Cb -0.01 -3.13 0.02 0.00 0.03 0.00 0.00 46.19 43.10 3hhw s LEU 407 CO 0.38 0.21 0.84 -0.13 0.23 0.00 0.00 176.35 177.88 3hhw s ARG 408 N -1.34 2.76 0.51 1.70 0.52 -1.26 -4.99 118.95 116.85 3hhw s ARG 408 Ca 0.34 -0.32 -0.19 0.00 -0.52 0.00 0.00 55.73 55.03 3hhw s ARG 408 Cb -0.19 -2.37 -0.07 0.00 0.52 0.00 0.00 34.95 32.83 3hhw s ARG 408 CO 0.21 -0.69 1.06 -1.21 0.02 0.00 0.00 175.30 174.69 3hhw s GLU 409 N -4.88 3.64 -1.39 3.54 2.02 -1.26 -4.02 118.70 116.35 3hhw s GLU 409 Ca 0.54 1.39 -0.08 0.00 0.02 0.00 0.00 54.97 56.84 3hhw s GLU 409 Cb -0.10 -2.07 0.01 0.00 0.10 0.00 0.00 34.13 32.07 3hhw s GLU 409 CO 0.42 -0.57 1.11 1.17 0.02 0.00 0.00 175.26 177.40 3hhw n LYS 410 N -1.18 -7.55 -4.45 1.61 3.00 -1.26 -4.95 118.16 103.38 3hhw n LYS 410 Ca 0.10 0.84 -0.24 0.00 -0.00 0.00 0.00 58.31 59.01 3hhw n LYS 410 Cb 0.52 -5.87 -0.10 0.00 0.00 0.00 0.00 35.03 29.58 3hhw n LYS 410 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3hhw s THR 411 N -3.30 2.59 0.37 3.15 -4.23 -1.26 -0.58 115.64 112.38 3hhw s THR 411 Ca 0.55 -2.35 0.05 0.00 -1.18 0.00 0.00 61.69 58.77 3hhw s THR 411 Cb -0.24 -2.36 0.22 0.00 1.34 0.00 0.00 72.50 71.46 3hhw s THR 411 CO 0.68 -0.39 1.97 0.40 -0.54 0.00 0.00 174.62 176.74 3hhw h ILE 412 N 2.24 1.15 -0.08 2.99 1.08 -0.78 -2.21 117.51 121.90 3hhw h ILE 412 Ca -0.41 -0.46 -0.01 0.00 -0.39 0.00 0.00 64.86 63.59 3hhw h ILE 412 Cb 1.26 0.67 -0.00 0.00 -3.07 0.00 0.00 36.82 35.67 3hhw h ILE 412 CO 0.60 0.18 0.02 1.23 -0.69 0.00 0.00 178.15 179.49 3hhw h GLY 413 N 0.71 0.14 1.17 5.37 0.00 -1.57 -1.28 103.07 107.61 3hhw h GLY 413 Ca 0.14 -0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.33 3hhw h GLY 413 CO -0.02 0.08 0.19 1.70 0.00 0.00 0.00 176.54 178.49 3hhw h LYS 414 N -0.06 1.04 0.10 4.80 3.64 -1.75 -1.78 116.57 122.56 3hhw h LYS 414 Ca 0.03 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3hhw h LYS 414 Cb 0.22 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3hhw h LYS 414 CO -0.00 0.91 -0.05 -0.92 -2.27 0.00 0.00 179.45 177.12 3hhw h TYR 415 N 1.00 -0.12 -0.53 1.91 3.20 -1.31 -1.65 116.97 119.47 3hhw h TYR 415 Ca 0.22 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 3hhw h TYR 415 Cb 0.32 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 3hhw h TYR 415 CO 0.02 -0.00 0.24 0.00 -1.64 0.00 0.00 178.16 176.78 3hhw h ALA 416 N 0.68 0.68 -0.44 1.82 0.00 -1.10 -2.38 119.26 118.51 3hhw h ALA 416 Ca -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3hhw h ALA 416 Cb 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3hhw h ALA 416 CO 0.02 0.26 0.19 -0.22 0.00 0.00 0.00 179.25 179.50 3hhw h LYS 417 N 0.71 0.65 -0.98 0.00 3.64 -1.31 -0.31 116.57 118.97 3hhw h LYS 417 Ca 0.18 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3hhw h LYS 417 Cb 0.14 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3hhw h LYS 417 CO -0.02 0.59 0.00 0.43 -2.27 0.00 0.00 179.45 178.17 3hhw n SER 418 N -4.62 1.17 0.00 4.20 7.64 -0.62 -1.75 113.62 119.63 3hhw n SER 418 Ca 0.01 -2.03 0.00 0.00 1.01 0.00 0.00 58.87 57.85 3hhw n SER 418 Cb 0.14 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 3hhw n SER 418 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hhw n GLU 419 N 0.02 2.21 -0.00 1.43 -0.58 -0.82 -4.92 120.64 117.99 3hhw n GLU 419 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 3hhw n GLU 419 Cb 0.28 -0.76 -0.01 0.00 -0.57 0.00 0.00 31.44 30.38 3hhw n GLU 419 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3hhw n PHE 420 N -1.20 0.00 -3.06 -0.32 3.72 -0.19 -4.85 117.46 111.56 3hhw n PHE 420 Ca 0.00 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.95 3hhw n PHE 420 Cb 0.22 -0.05 -0.01 0.00 -0.94 0.00 0.00 39.48 38.70 3hhw n PHE 420 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3hhw s ASP 421 N -2.50 6.85 0.00 4.37 2.15 -0.72 -3.99 116.67 122.84 3hhw s ASP 421 Ca -0.01 -2.61 0.00 0.00 0.43 0.00 0.00 52.55 50.37 3hhw s ASP 421 Cb 0.01 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 3hhw s ASP 421 CO 0.06 -0.79 0.00 2.29 -0.17 0.00 0.00 175.17 176.56