#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 1.05 -2.38 -3.33 0.31 -1.26 -5.02 118.33 107.71 3hhw n VAL 3 Ca 0.00 0.17 -0.42 0.00 -0.01 0.00 0.00 64.34 64.07 3hhw n VAL 3 Cb 0.00 -1.77 -0.03 0.00 -0.91 0.00 0.00 33.84 31.13 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 -2.26 4.00 -0.13 2.52 -4.23 -1.26 -4.98 115.64 109.30 3hhw s THR 4 Ca -0.11 1.39 -0.00 0.00 -1.18 0.00 0.00 61.69 61.79 3hhw s THR 4 Cb 0.03 -3.90 -0.02 0.00 1.34 0.00 0.00 72.50 69.96 3hhw s THR 4 CO 0.15 0.05 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.46 3hhw s VAL 5 N 1.74 3.06 -0.05 2.29 1.01 -1.25 -5.07 120.40 122.14 3hhw s VAL 5 Ca 0.59 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.94 3hhw s VAL 5 Cb -0.29 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 3hhw s VAL 5 CO 0.26 0.53 -0.11 -0.54 0.00 0.00 0.00 175.10 175.24 3hhw s LYS 6 N 0.30 2.57 -0.07 2.72 1.02 -1.26 -0.54 119.74 124.48 3hhw s LYS 6 Ca -0.10 -0.66 -0.25 0.00 0.02 0.00 0.00 55.97 54.98 3hhw s LYS 6 Cb -0.16 -2.45 -0.03 0.00 -0.52 0.00 0.00 37.83 34.67 3hhw s LYS 6 CO 0.06 0.63 0.77 0.50 -0.92 0.00 0.00 175.35 176.39 3hhw s ARG 7 N -0.86 4.44 0.01 1.68 3.52 0.22 -4.92 118.95 123.05 3hhw s ARG 7 Ca 0.12 1.00 -0.21 0.00 -0.13 0.00 0.00 55.73 56.52 3hhw s ARG 7 Cb -0.11 -3.47 -0.11 0.00 -1.56 0.00 0.00 34.95 29.70 3hhw s ARG 7 CO 0.02 -0.01 1.04 0.82 -0.81 0.00 0.00 175.30 176.36 3hhw h ILE 8 N 4.82 0.00 -0.62 4.11 2.04 -1.97 0.19 117.51 126.08 3hhw h ILE 8 Ca -0.40 -0.20 0.10 0.00 1.00 0.00 0.00 64.86 65.36 3hhw h ILE 8 Cb 1.19 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.20 3hhw h ILE 8 CO 0.76 0.00 0.23 -0.29 0.00 0.00 0.00 178.15 178.86 3hhw h ILE 9 N -0.95 0.76 0.00 -0.67 6.09 -1.99 -2.31 117.51 118.44 3hhw h ILE 9 Ca -0.08 -0.14 -0.16 0.00 -1.37 0.00 0.00 64.86 63.11 3hhw h ILE 9 Cb 0.57 0.31 -0.02 0.00 0.47 0.00 0.00 36.82 38.15 3hhw h ILE 9 CO 0.13 0.08 -0.81 0.44 -3.07 0.00 0.00 178.15 174.91 3hhw h ASP 10 N 0.41 0.00 -5.83 2.19 3.32 -2.00 -3.48 116.42 111.04 3hhw h ASP 10 Ca 0.32 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.98 3hhw h ASP 10 Cb 0.40 0.00 0.13 0.00 0.22 0.00 0.00 39.33 40.08 3hhw h ASP 10 CO -0.32 0.76 -0.72 -3.20 -1.72 0.00 0.00 179.24 174.04 3hhw n ASN 11 N -3.27 -4.54 -4.32 6.45 4.05 0.64 -5.02 115.26 109.25 3hhw n ASN 11 Ca 0.00 -0.60 -0.29 0.00 0.45 0.00 0.00 54.58 54.14 3hhw n ASN 11 Cb 0.85 -4.93 -0.15 0.00 1.23 0.00 0.00 39.78 36.78 3hhw n ASN 11 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3hhw s THR 12 N -3.35 2.01 0.37 -0.44 2.01 -1.05 -4.89 115.64 110.30 3hhw s THR 12 Ca 0.37 -1.31 -0.25 0.00 0.31 0.00 0.00 61.69 60.80 3hhw s THR 12 Cb -0.16 -1.72 -0.09 0.00 0.01 0.00 0.00 72.50 70.53 3hhw s THR 12 CO 0.74 0.35 1.07 0.68 -0.69 0.00 0.00 174.62 176.77 3hhw s VAL 13 N -0.78 3.63 0.00 3.82 -7.23 -1.26 0.72 120.40 119.30 3hhw s VAL 13 Ca 0.11 1.35 0.04 0.00 -1.81 0.00 0.00 61.98 61.66 3hhw s VAL 13 Cb -0.10 -3.74 -0.01 0.00 0.56 0.00 0.00 36.38 33.09 3hhw s VAL 13 CO 0.02 0.10 -0.12 -0.51 -0.31 0.00 0.00 175.10 174.28 3hhw s ILE 14 N -1.52 0.93 -0.53 -0.62 2.07 0.30 -4.86 121.20 116.98 3hhw s ILE 14 Ca 0.54 -0.61 -0.02 0.00 -1.41 0.00 0.00 60.65 59.15 3hhw s ILE 14 Cb -0.25 -0.80 0.14 0.00 0.13 0.00 0.00 42.46 41.68 3hhw s ILE 14 CO 0.31 0.18 0.33 -0.69 -1.91 0.00 0.00 174.94 173.16 3hhw s VAL 15 N -0.42 3.45 0.08 4.00 1.01 -1.26 -3.79 120.40 123.46 3hhw s VAL 15 Ca 0.03 -2.62 -0.31 0.00 0.00 0.00 0.00 61.98 59.09 3hhw s VAL 15 Cb -0.05 -3.30 -0.09 0.00 0.00 0.00 0.00 36.38 32.94 3hhw s VAL 15 CO -0.00 -0.79 1.66 -2.84 0.00 0.00 0.00 175.10 173.12 3hhw s PRO 16 N 0.41 4.20 0.04 2.72 0.02 -1.26 -5.00 135.00 136.14 3hhw s PRO 16 Ca 0.13 2.35 -0.14 0.00 0.02 0.00 0.00 61.00 63.36 3hhw s PRO 16 Cb -0.22 -3.56 0.02 0.00 0.02 0.00 0.00 34.50 30.77 3hhw s PRO 16 CO -0.04 -0.73 0.32 -1.59 -0.33 0.00 0.00 177.00 174.63 3hhw s LYS 17 N 2.50 0.82 0.15 5.54 -2.85 -1.26 -5.17 119.74 119.47 3hhw s LYS 17 Ca 0.74 -0.48 0.06 0.00 -1.00 0.00 0.00 55.97 55.29 3hhw s LYS 17 Cb -0.41 0.36 -0.04 0.00 -2.06 0.00 0.00 37.83 35.68 3hhw s LYS 17 CO 0.32 -0.26 -0.13 -0.51 0.10 0.00 0.00 175.35 174.87 3hhw s LEU 18 N -2.04 2.49 0.30 2.77 1.43 -1.26 -5.13 118.68 117.24 3hhw s LEU 18 Ca -0.05 -0.93 -0.27 0.00 -1.03 0.00 0.00 54.13 51.85 3hhw s LEU 18 Cb -0.01 -0.50 -0.14 0.00 0.03 0.00 0.00 46.19 45.57 3hhw s LEU 18 CO -0.03 -0.22 0.83 -2.65 0.23 0.00 0.00 176.35 174.51 3hhw n PRO 19 N 0.06 0.95 -2.28 1.29 -0.02 -1.26 -4.94 135.00 128.79 3hhw n PRO 19 Ca -0.12 0.33 -0.37 0.00 -2.02 0.00 0.00 63.50 61.33 3hhw n PRO 19 Cb 0.59 -1.63 -0.01 0.00 -0.02 0.00 0.00 33.50 32.43 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 -1.13 2.95 -0.36 3.55 0.00 -1.26 -5.04 121.76 120.47 3hhw s ALA 20 Ca 0.61 0.90 0.01 0.00 0.00 0.00 0.00 51.96 53.47 3hhw s ALA 20 Cb -0.72 -3.37 0.11 0.00 0.00 0.00 0.00 23.12 19.14 3hhw s ALA 20 CO 0.59 -0.63 0.14 1.21 0.00 0.00 0.00 175.76 177.07 3hhw s ASN 21 N -1.43 3.94 -0.58 0.00 2.47 -1.26 -5.05 114.94 113.03 3hhw s ASN 21 Ca 0.64 -2.02 0.06 0.00 0.42 0.00 0.00 52.86 51.97 3hhw s ASN 21 Cb -0.27 -0.97 0.27 0.00 -1.45 0.00 0.00 41.25 38.82 3hhw s ASN 21 CO 0.33 -0.36 0.73 -1.84 -3.72 0.00 0.00 177.10 172.24 3hhw n GLU 22 N 4.35 2.25 -3.73 0.43 0.28 -1.26 -4.98 120.64 117.97 3hhw n GLU 22 Ca 0.02 -4.39 -0.36 0.00 -0.16 0.00 0.00 57.16 52.27 3hhw n GLU 22 Cb 0.39 -2.05 -0.10 0.00 1.43 0.00 0.00 31.44 31.12 3hhw n GLU 22 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 3hhw s ASP 23 N -2.38 5.20 0.59 -1.84 -4.77 -1.26 -5.10 116.67 107.11 3hhw s ASP 23 Ca 0.40 -2.86 -0.16 0.00 -3.30 0.00 0.00 52.55 46.64 3hhw s ASP 23 Cb 0.18 -1.84 -0.04 0.00 -1.09 0.00 0.00 42.92 40.13 3hhw s ASP 23 CO -0.05 -0.36 1.05 -2.84 0.70 0.00 0.00 175.17 173.68 3hhw s PRO 24 N -0.07 3.34 0.46 2.11 0.02 -1.26 -5.04 135.00 134.56 3hhw s PRO 24 Ca 0.17 1.20 -0.17 0.00 0.02 0.00 0.00 61.00 62.22 3hhw s PRO 24 Cb -0.20 -2.04 -0.09 0.00 0.02 0.00 0.00 34.50 32.19 3hhw s PRO 24 CO -0.03 -0.79 0.92 0.14 -0.33 0.00 0.00 177.00 176.91 3hhw s VAL 25 N -2.45 4.55 -0.35 3.83 -7.23 -1.26 -4.90 120.40 112.58 3hhw s VAL 25 Ca 0.63 1.17 -0.11 0.00 -1.81 0.00 0.00 61.98 61.87 3hhw s VAL 25 Cb -0.16 -3.68 0.01 0.00 0.56 0.00 0.00 36.38 33.12 3hhw s VAL 25 CO 0.37 -0.52 0.19 -1.61 -0.31 0.00 0.00 175.10 173.22 3hhw s GLU 26 N -3.69 3.05 0.13 4.82 2.02 0.20 -4.94 118.70 120.28 3hhw s GLU 26 Ca 0.58 -0.93 -0.29 0.00 0.02 0.00 0.00 54.97 54.36 3hhw s GLU 26 Cb -0.10 -3.68 -0.07 0.00 0.10 0.00 0.00 34.13 30.38 3hhw s GLU 26 CO 0.25 -0.59 0.91 0.71 0.02 0.00 0.00 175.26 176.56 3hhw s TYR 27 N 1.59 3.84 0.31 1.61 2.02 -1.26 -4.38 117.35 121.07 3hhw s TYR 27 Ca 0.03 1.75 0.07 0.00 -0.37 0.00 0.00 57.07 58.55 3hhw s TYR 27 Cb -0.18 -2.98 0.82 0.00 -0.40 0.00 0.00 41.96 39.22 3hhw s TYR 27 CO 0.07 0.29 1.69 -1.35 -1.57 0.00 0.00 175.55 174.68 3hhw h PRO 28 N 5.22 0.37 0.00 -1.71 0.11 -1.94 -1.89 132.00 132.17 3hhw h PRO 28 Ca -0.44 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 3hhw h PRO 28 Cb 1.21 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3hhw h PRO 28 CO 0.70 0.25 -0.24 0.00 -0.21 0.00 0.00 178.00 178.50 3hhw h ALA 29 N 1.75 1.50 0.00 -0.75 0.00 -1.92 -2.63 119.26 117.21 3hhw h ALA 29 Ca 0.61 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3hhw h ALA 29 Cb 1.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hhw h ALA 29 CO -0.56 0.30 0.00 -0.44 0.00 0.00 0.00 179.25 178.56 3hhw h ASP 30 N 0.00 0.00 -0.04 0.00 3.32 -1.73 -2.95 116.42 115.03 3hhw h ASP 30 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3hhw h ASP 30 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3hhw h ASP 30 CO 0.03 0.00 -0.08 0.22 -1.72 0.00 0.00 179.24 177.69 3hhw h TYR 31 N 0.00 0.15 0.00 4.55 3.20 -1.55 -3.19 116.97 120.14 3hhw h TYR 31 Ca 0.00 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.81 3hhw h TYR 31 Cb 0.59 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.83 3hhw h TYR 31 CO 0.00 0.67 0.00 1.19 -1.64 0.00 0.00 178.16 178.38 3hhw n PHE 32 N -4.70 0.35 0.20 -3.82 3.72 -1.19 -0.79 117.46 111.23 3hhw n PHE 32 Ca -0.08 0.13 0.08 0.00 -0.05 0.00 0.00 57.45 57.53 3hhw n PHE 32 Cb 0.34 -0.72 0.31 0.00 -0.94 0.00 0.00 39.48 38.47 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 0.00 0.00 0.00 -1.08 2.43 -1.50 -3.39 114.38 110.84 3hhw h ARG 33 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3hhw h ARG 33 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3hhw h ARG 33 CO 0.00 0.28 -0.37 1.63 -1.51 0.00 0.00 179.97 180.00 3hhw n LYS 34 N -3.31 0.20 -3.40 0.20 4.01 -0.96 -5.01 118.16 109.89 3hhw n LYS 34 Ca 0.01 0.08 -0.38 0.00 -0.51 0.00 0.00 58.31 57.51 3hhw n LYS 34 Cb 0.52 -0.78 -0.08 0.00 -0.51 0.00 0.00 35.03 34.19 3hhw n LYS 34 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3hhw s SER 35 N -5.57 6.40 -0.05 4.39 0.15 0.03 -4.97 113.70 114.07 3hhw s SER 35 Ca -0.11 0.47 0.21 0.00 0.70 0.00 0.00 55.95 57.22 3hhw s SER 35 Cb 0.01 -2.22 0.69 0.00 -1.71 0.00 0.00 66.02 62.79 3hhw s SER 35 CO 0.16 -0.09 1.58 0.29 1.20 0.00 0.00 173.24 176.39 3hhw n LYS 36 N 4.60 3.14 -3.69 5.44 4.01 -1.26 -3.69 118.16 126.71 3hhw n LYS 36 Ca -0.09 -2.76 -0.14 0.00 -0.51 0.00 0.00 58.31 54.81 3hhw n LYS 36 Cb 0.51 -1.71 -0.09 0.00 -0.51 0.00 0.00 35.03 33.23 3hhw n LYS 36 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 3hhw s GLU 37 N -1.35 0.66 -0.28 1.97 -1.05 -1.26 -5.05 118.70 112.34 3hhw s GLU 37 Ca 0.51 0.47 -0.21 0.00 -0.15 0.00 0.00 54.97 55.59 3hhw s GLU 37 Cb 0.29 0.31 -0.01 0.00 -0.44 0.00 0.00 34.13 34.28 3hhw s GLU 37 CO 0.30 -0.12 0.65 0.42 0.95 0.00 0.00 175.26 177.46 3hhw s ILE 38 N -0.22 4.94 0.20 1.83 1.01 -1.26 -5.04 121.20 122.66 3hhw s ILE 38 Ca -0.04 1.03 -0.30 0.00 0.00 0.00 0.00 60.65 61.34 3hhw s ILE 38 Cb -0.03 -3.99 -0.08 0.00 0.01 0.00 0.00 42.46 38.37 3hhw s ILE 38 CO 0.03 -0.07 1.08 -2.84 0.00 0.00 0.00 174.94 173.13 3hhw s PRO 39 N 2.60 4.63 -0.19 2.79 0.02 -1.26 -3.77 135.00 139.82 3hhw s PRO 39 Ca 0.27 1.71 -0.05 0.00 0.02 0.00 0.00 61.00 62.95 3hhw s PRO 39 Cb -0.15 -3.26 0.07 0.00 0.02 0.00 0.00 34.50 31.17 3hhw s PRO 39 CO 0.10 0.14 0.09 -1.17 -0.33 0.00 0.00 177.00 175.84 3hhw s LEU 40 N -0.65 0.39 -0.49 -5.54 2.96 -1.21 -5.04 118.68 109.09 3hhw s LEU 40 Ca 0.48 -0.71 -0.14 0.00 -0.22 0.00 0.00 54.13 53.54 3hhw s LEU 40 Cb -0.29 -0.26 0.10 0.00 0.50 0.00 0.00 46.19 46.23 3hhw s LEU 40 CO 0.36 -0.36 0.41 -0.31 -1.32 0.00 0.00 176.35 175.13 3hhw s TYR 41 N 2.13 3.28 -0.06 5.38 2.02 -1.26 -1.34 117.35 127.50 3hhw s TYR 41 Ca 0.03 -1.27 0.04 0.00 -0.37 0.00 0.00 57.07 55.50 3hhw s TYR 41 Cb -0.16 -3.43 -0.00 0.00 -0.40 0.00 0.00 41.96 37.97 3hhw s TYR 41 CO -0.13 -0.92 -0.19 0.42 -1.57 0.00 0.00 175.55 173.16 3hhw s ILE 42 N 1.56 1.65 -0.30 2.71 1.01 -0.96 -4.45 121.20 122.42 3hhw s ILE 42 Ca 0.04 -0.81 -0.12 0.00 0.00 0.00 0.00 60.65 59.76 3hhw s ILE 42 Cb -0.27 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 3hhw s ILE 42 CO 0.04 0.47 0.21 0.21 0.00 0.00 0.00 174.94 175.86 3hhw s ASN 43 N 0.21 6.01 -0.71 3.58 2.47 -1.26 -3.34 114.94 121.90 3hhw s ASN 43 Ca -0.10 -0.19 -0.09 0.00 0.42 0.00 0.00 52.86 52.90 3hhw s ASN 43 Cb -0.14 -2.12 0.19 0.00 -1.45 0.00 0.00 41.25 37.72 3hhw s ASN 43 CO 0.05 -0.13 0.60 -0.89 -3.72 0.00 0.00 177.10 173.00 3hhw s THR 44 N 1.74 4.73 -0.06 -5.21 2.01 -1.26 -4.75 115.64 112.84 3hhw s THR 44 Ca 0.07 -2.59 0.04 0.00 0.31 0.00 0.00 61.69 59.51 3hhw s THR 44 Cb -0.17 -3.99 -0.06 0.00 0.01 0.00 0.00 72.50 68.29 3hhw s THR 44 CO 0.11 -0.94 -0.00 1.07 -0.69 0.00 0.00 174.62 174.16 3hhw n THR 45 N 3.88 0.38 -3.79 -0.82 5.66 -1.26 -5.04 114.28 113.28 3hhw n THR 45 Ca 0.09 -0.21 -0.30 0.00 -3.05 0.00 0.00 64.05 60.58 3hhw n THR 45 Cb 0.43 -0.83 -0.04 0.00 -1.55 0.00 0.00 70.33 68.34 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 -2.13 3.52 1.08 1.09 -0.14 -1.26 -5.11 119.74 116.79 3hhw s LYS 46 Ca -0.05 -0.30 -0.17 0.00 -1.36 0.00 0.00 55.97 54.10 3hhw s LYS 46 Cb 0.02 -2.93 0.23 0.00 -1.68 0.00 0.00 37.83 33.47 3hhw s LYS 46 CO 0.20 0.52 1.16 -1.54 -0.76 0.00 0.00 175.35 174.93 3hhw s SER 47 N -2.63 1.98 0.17 2.83 1.04 -1.26 -4.84 113.70 110.99 3hhw s SER 47 Ca 0.38 0.66 -0.11 0.00 0.48 0.00 0.00 55.95 57.35 3hhw s SER 47 Cb -0.12 -0.95 0.06 0.00 0.10 0.00 0.00 66.02 65.10 3hhw s SER 47 CO 0.27 -3.47 1.67 0.25 0.98 0.00 0.00 173.24 172.94 3hhw h LEU 48 N -2.14 0.90 -0.54 2.42 5.85 -1.98 -2.50 115.31 117.32 3hhw h LEU 48 Ca -0.47 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 57.92 3hhw h LEU 48 Cb 1.29 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 3hhw h LEU 48 CO 0.42 0.91 -0.02 0.77 -0.34 0.00 0.00 178.44 180.18 3hhw h SER 49 N 0.85 0.96 -0.02 1.25 4.64 -1.97 -2.59 113.55 116.66 3hhw h SER 49 Ca 0.18 -0.32 -0.20 0.00 -0.47 0.00 0.00 61.79 60.98 3hhw h SER 49 Cb 0.38 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3hhw h SER 49 CO 0.01 1.04 -0.72 0.44 -0.87 0.00 0.00 176.83 176.73 3hhw h ASP 50 N 0.85 0.78 0.34 4.97 3.32 -1.93 -3.09 116.42 121.65 3hhw h ASP 50 Ca 0.15 -0.49 -0.07 0.00 0.02 0.00 0.00 57.03 56.64 3hhw h ASP 50 Cb 0.57 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3hhw h ASP 50 CO 0.03 1.26 -0.32 -0.07 -1.72 0.00 0.00 179.24 178.42 3hhw h LEU 51 N 0.47 0.00 -1.39 1.55 3.38 -1.45 -2.62 115.31 115.24 3hhw h LEU 51 Ca -0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3hhw h LEU 51 Cb 1.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 3hhw h LEU 51 CO 0.14 0.32 -0.30 -0.09 0.09 0.00 0.00 178.44 178.60 3hhw h ARG 52 N 0.00 0.00 -0.18 1.13 2.43 -1.38 -3.29 114.38 113.10 3hhw h ARG 52 Ca -0.00 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 3hhw h ARG 52 Cb 0.58 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3hhw h ARG 52 CO 0.04 0.30 -0.33 0.78 -1.51 0.00 0.00 179.97 179.26 3hhw h GLY 53 N 1.04 0.59 1.71 2.80 0.00 -1.43 -3.03 103.07 104.73 3hhw h GLY 53 Ca -0.00 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.56 3hhw h GLY 53 CO 0.04 0.61 -0.23 -0.97 0.00 0.00 0.00 176.54 175.99 3hhw h TYR 54 N 0.18 0.38 -0.02 5.60 0.05 -1.62 -3.21 116.97 118.33 3hhw h TYR 54 Ca 0.01 -0.07 -0.09 0.00 0.05 0.00 0.00 58.73 58.63 3hhw h TYR 54 Cb 0.92 -0.10 0.01 0.00 1.01 0.00 0.00 36.73 38.57 3hhw h TYR 54 CO 0.09 0.56 -0.33 0.28 -1.05 0.00 0.00 178.16 177.71 3hhw h VAL 55 N 0.31 1.49 -0.58 -2.88 2.07 -1.65 -1.38 116.25 113.63 3hhw h VAL 55 Ca 0.05 -1.91 0.12 0.00 0.82 0.00 0.00 66.70 65.78 3hhw h VAL 55 Cb 0.58 2.63 -0.10 0.00 -1.52 0.00 0.00 31.29 32.88 3hhw h VAL 55 CO 0.04 0.53 -0.06 0.22 0.02 0.00 0.00 177.57 178.33 3hhw h TYR 56 N -0.35 -0.15 0.00 1.57 3.20 -1.53 -0.71 116.97 119.00 3hhw h TYR 56 Ca -0.04 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 3hhw h TYR 56 Cb 1.05 0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.47 3hhw h TYR 56 CO 0.16 -0.19 -0.66 1.96 -1.64 0.00 0.00 178.16 177.79 3hhw h GLN 57 N 0.06 0.00 0.00 1.82 1.08 -1.67 -3.34 115.11 113.06 3hhw h GLN 57 Ca 0.29 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.39 3hhw h GLN 57 Cb 0.46 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 3hhw h GLN 57 CO -0.53 0.07 -0.50 0.78 -0.95 0.00 0.00 178.83 177.70 3hhw h GLY 58 N 3.93 0.00 1.57 3.46 0.00 0.00 -0.73 103.07 111.31 3hhw h GLY 58 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.04 3hhw h GLY 58 CO 0.01 0.00 -1.24 1.41 0.00 0.00 0.00 176.54 176.72 3hhw h LEU 59 N 0.00 0.49 0.33 3.11 3.38 -1.39 -1.27 115.31 119.97 3hhw h LEU 59 Ca -0.00 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.44 3hhw h LEU 59 Cb 0.89 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3hhw h LEU 59 CO 0.06 1.39 -0.16 0.11 0.09 0.00 0.00 178.44 179.93 3hhw h LYS 60 N 0.10 -0.42 0.00 1.13 1.57 -1.65 -3.25 116.57 114.04 3hhw h LYS 60 Ca -0.14 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3hhw h LYS 60 Cb 1.95 0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.36 3hhw h LYS 60 CO 0.21 -0.10 0.00 0.77 -0.57 0.00 0.00 179.45 179.76 3hhw h SER 61 N -0.85 0.00 0.00 0.86 0.02 -1.28 -3.44 113.55 108.87 3hhw h SER 61 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3hhw h SER 61 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 3hhw h SER 61 CO 0.07 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.37 3hhw n GLY 62 N 0.14 0.82 3.13 -3.77 0.00 -0.77 -5.00 105.19 99.73 3hhw n GLY 62 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3hhw n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hhw s ASN 63 N -2.77 5.64 -0.10 1.61 0.01 -0.55 -4.94 114.94 113.84 3hhw s ASN 63 Ca 0.00 -3.11 0.02 0.00 -0.71 0.00 0.00 52.86 49.06 3hhw s ASN 63 Cb 0.00 -1.91 0.02 0.00 0.41 0.00 0.00 41.25 39.76 3hhw s ASN 63 CO 0.00 -0.33 -0.13 0.54 -1.51 0.00 0.00 177.10 175.66 3hhw s VAL 64 N -0.44 1.32 0.21 1.60 0.11 -1.22 -4.42 120.40 117.57 3hhw s VAL 64 Ca 0.20 -0.54 -0.30 0.00 -2.93 0.00 0.00 61.98 58.41 3hhw s VAL 64 Cb -0.15 -1.22 -0.08 0.00 -1.53 0.00 0.00 36.38 33.39 3hhw s VAL 64 CO -0.07 0.40 0.98 -0.55 -3.33 0.00 0.00 175.10 172.54 3hhw s SER 65 N 1.00 7.53 0.27 3.54 0.15 -1.26 -4.97 113.70 119.96 3hhw s SER 65 Ca -0.07 1.98 0.08 0.00 0.70 0.00 0.00 55.95 58.63 3hhw s SER 65 Cb -0.15 -2.61 0.35 0.00 -1.71 0.00 0.00 66.02 61.90 3hhw s SER 65 CO -0.01 0.04 1.61 -0.29 1.20 0.00 0.00 173.24 175.79 3hhw h ILE 66 N 3.37 1.40 -0.63 6.45 6.09 -2.00 -3.07 117.51 129.13 3hhw h ILE 66 Ca -0.45 -1.97 0.04 0.00 -1.37 0.00 0.00 64.86 61.11 3hhw h ILE 66 Cb 1.20 2.03 -0.05 0.00 0.47 0.00 0.00 36.82 40.48 3hhw h ILE 66 CO 0.69 0.57 0.37 0.40 -3.07 0.00 0.00 178.15 177.11 3hhw h ILE 67 N 0.08 1.03 -0.78 2.19 1.08 -1.99 0.18 117.51 119.31 3hhw h ILE 67 Ca -0.00 -0.24 -0.04 0.00 -0.39 0.00 0.00 64.86 64.18 3hhw h ILE 67 Cb 1.05 0.26 -0.03 0.00 -3.07 0.00 0.00 36.82 35.03 3hhw h ILE 67 CO 0.08 0.13 0.32 0.45 -0.69 0.00 0.00 178.15 178.44 3hhw h HIS 68 N 0.71 1.16 -0.20 1.37 3.86 -1.96 -1.54 115.15 118.55 3hhw h HIS 68 Ca 0.26 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.35 3hhw h HIS 68 Cb 0.09 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.20 3hhw h HIS 68 CO -0.07 0.88 -0.05 0.28 0.86 0.00 0.00 177.93 179.83 3hhw h VAL 69 N 1.12 1.28 -0.49 2.45 2.07 -1.28 -1.46 116.25 119.95 3hhw h VAL 69 Ca 0.26 -1.02 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 3hhw h VAL 69 Cb 0.20 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3hhw h VAL 69 CO -0.02 0.31 0.05 0.78 0.02 0.00 0.00 177.57 178.71 3hhw h ASN 70 N 0.11 0.74 -0.28 0.57 -0.26 -0.57 0.11 115.58 116.00 3hhw h ASN 70 Ca 0.05 -0.15 -0.12 0.00 -0.56 0.00 0.00 56.30 55.52 3hhw h ASN 70 Cb 0.49 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 37.55 3hhw h ASN 70 CO 0.02 0.77 -0.28 0.28 -1.06 0.00 0.00 177.43 177.16 3hhw h SER 71 N 0.74 0.74 -0.73 5.81 0.02 -1.28 -2.52 113.55 116.33 3hhw h SER 71 Ca 0.15 -0.47 -0.07 0.00 -0.84 0.00 0.00 61.79 60.57 3hhw h SER 71 Cb 0.37 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 3hhw h SER 71 CO 0.01 1.06 0.20 0.22 -1.14 0.00 0.00 176.83 177.18 3hhw h TYR 72 N 0.43 1.20 -0.26 3.45 3.20 -0.91 -1.29 116.97 122.79 3hhw h TYR 72 Ca 0.04 -0.13 -0.08 0.00 3.14 0.00 0.00 58.73 61.70 3hhw h TYR 72 Cb 0.85 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 3hhw h TYR 72 CO 0.07 0.96 -0.20 -0.07 -1.64 0.00 0.00 178.16 177.28 3hhw h LEU 73 N 1.09 0.47 -0.11 2.82 3.38 -0.80 -1.47 115.31 120.69 3hhw h LEU 73 Ca 0.23 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3hhw h LEU 73 Cb 0.35 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3hhw h LEU 73 CO -0.00 0.68 -0.08 0.22 0.09 0.00 0.00 178.44 179.35 3hhw h TYR 74 N 0.43 0.30 0.00 1.13 3.20 -1.23 -2.90 116.97 117.89 3hhw h TYR 74 Ca 0.07 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3hhw h TYR 74 Cb 0.59 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.79 3hhw h TYR 74 CO 0.02 0.63 0.00 0.78 -1.64 0.00 0.00 178.16 177.95 3hhw h GLY 75 N -0.12 0.00 -0.94 1.82 0.00 -1.06 -2.64 103.07 100.14 3hhw h GLY 75 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3hhw h GLY 75 CO 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 176.54 176.22 3hhw n ALA 76 N -1.91 3.22 -1.87 3.60 0.00 -0.57 -4.47 120.51 118.51 3hhw n ALA 76 Ca 0.01 -0.59 0.05 0.00 0.00 0.00 0.00 53.44 52.91 3hhw n ALA 76 Cb 0.23 -0.66 0.10 0.00 0.00 0.00 0.00 19.45 19.12 3hhw n ALA 76 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hhw n LEU 77 N 0.07 1.61 0.00 0.00 4.77 -1.02 -4.81 117.00 117.62 3hhw n LEU 77 Ca 0.08 -2.63 0.08 0.00 -0.03 0.00 0.00 56.01 53.51 3hhw n LEU 77 Cb 0.40 -0.25 0.46 0.00 -2.33 0.00 0.00 43.42 41.70 3hhw n LEU 77 CO 0.22 0.79 0.71 0.29 -1.33 0.00 0.00 177.39 178.07 3hhw n LYS 78 N -0.45 0.40 -1.69 3.23 5.02 -1.06 -4.73 118.16 118.88 3hhw n LYS 78 Ca 0.11 0.06 -0.44 0.00 -2.02 0.00 0.00 58.31 56.02 3hhw n LYS 78 Cb 0.83 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.31 3hhw n LYS 78 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3hhw n ASP 79 N -1.12 3.75 -1.54 4.39 5.75 -1.26 -4.88 116.55 121.64 3hhw n ASP 79 Ca 0.10 1.03 0.01 0.00 -0.01 0.00 0.00 54.79 55.92 3hhw n ASP 79 Cb 0.09 -1.51 0.26 0.00 -1.03 0.00 0.00 41.12 38.92 3hhw n ASP 79 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hhw n ILE 80 N 4.22 2.03 -2.18 2.12 3.06 -1.26 -4.01 119.36 123.33 3hhw n ILE 80 Ca 0.18 -1.04 -0.41 0.00 -2.50 0.00 0.00 62.75 58.98 3hhw n ILE 80 Cb 0.34 -0.40 -0.03 0.00 0.54 0.00 0.00 39.64 40.09 3hhw n ILE 80 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 3hhw s ARG 81 N -2.24 4.39 0.00 9.51 0.52 -1.26 -3.73 118.95 126.15 3hhw s ARG 81 Ca 0.38 2.12 0.00 0.00 -0.52 0.00 0.00 55.73 57.71 3hhw s ARG 81 Cb 0.30 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.63 3hhw s ARG 81 CO 0.10 -0.19 0.00 0.41 0.02 0.00 0.00 175.30 175.65 3hhw n GLY 82 N 1.57 2.68 3.59 -3.53 0.00 -1.22 -4.43 105.19 103.84 3hhw n GLY 82 Ca 0.03 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 3hhw n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hhw s LYS 83 N -2.27 3.91 0.17 1.61 2.20 -1.26 -0.24 119.74 123.85 3hhw s LYS 83 Ca 0.00 -0.36 -0.24 0.00 -0.36 0.00 0.00 55.97 55.01 3hhw s LYS 83 Cb 0.00 -3.35 -0.08 0.00 -1.51 0.00 0.00 37.83 32.89 3hhw s LYS 83 CO 0.00 0.06 0.76 -0.51 -0.36 0.00 0.00 175.35 175.30 3hhw s LEU 84 N 0.98 4.56 -0.01 5.43 1.43 -1.12 -4.97 118.68 124.97 3hhw s LEU 84 Ca 0.05 1.60 0.16 0.00 -1.03 0.00 0.00 54.13 54.91 3hhw s LEU 84 Cb -0.14 -3.31 -0.20 0.00 0.03 0.00 0.00 46.19 42.57 3hhw s LEU 84 CO 0.03 0.19 0.57 -0.90 0.23 0.00 0.00 176.35 176.48 3hhw n ASP 85 N 1.49 0.91 -4.27 2.29 5.75 -1.26 -4.32 116.55 117.14 3hhw n ASP 85 Ca -0.05 -0.59 -0.15 0.00 -0.01 0.00 0.00 54.79 53.99 3hhw n ASP 85 Cb 0.49 1.24 -0.10 0.00 -1.03 0.00 0.00 41.12 41.72 3hhw n ASP 85 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3hhw s LYS 86 N -2.71 1.32 0.22 0.11 1.02 -1.26 -4.86 119.74 113.59 3hhw s LYS 86 Ca 0.02 -1.71 -0.30 0.00 0.02 0.00 0.00 55.97 54.00 3hhw s LYS 86 Cb 0.12 -0.04 -0.09 0.00 -0.52 0.00 0.00 37.83 37.29 3hhw s LYS 86 CO 0.66 -0.33 1.30 -0.51 -0.92 0.00 0.00 175.35 175.54 3hhw s ASP 87 N -3.25 6.90 -0.26 2.83 -0.00 -1.26 -4.35 116.67 117.28 3hhw s ASP 87 Ca 0.38 2.44 0.01 0.00 -0.00 0.00 0.00 52.55 55.38 3hhw s ASP 87 Cb 0.07 -2.62 0.05 0.00 -0.00 0.00 0.00 42.92 40.42 3hhw s ASP 87 CO 0.13 -0.50 -0.08 0.86 -0.00 0.00 0.00 175.17 175.57 3hhw s TRP 88 N -0.16 3.18 -0.09 4.23 -0.00 -1.11 -5.02 118.94 119.97 3hhw s TRP 88 Ca 0.55 -2.00 -0.05 0.00 -0.00 0.00 0.00 56.10 54.60 3hhw s TRP 88 Cb -0.37 -2.00 0.04 0.00 -0.00 0.00 0.00 33.47 31.14 3hhw s TRP 88 CO 0.41 -0.82 0.20 -1.12 -0.00 0.00 0.00 176.95 175.62 3hhw s SER 89 N 1.20 -0.21 -0.09 5.86 0.01 -1.26 -2.69 113.70 116.52 3hhw s SER 89 Ca -0.05 0.43 -0.01 0.00 1.31 0.00 0.00 55.95 57.63 3hhw s SER 89 Cb -0.19 0.35 0.03 0.00 0.21 0.00 0.00 66.02 66.42 3hhw s SER 89 CO -0.05 -0.13 -0.04 -0.55 0.41 0.00 0.00 173.24 172.88 3hhw s SER 90 N 0.87 1.90 -1.29 2.44 0.15 -1.14 -4.84 113.70 111.81 3hhw s SER 90 Ca -0.06 -0.20 -0.04 0.00 0.70 0.00 0.00 55.95 56.34 3hhw s SER 90 Cb -0.08 -0.66 0.01 0.00 -1.71 0.00 0.00 66.02 63.58 3hhw s SER 90 CO -0.05 -0.15 1.05 0.49 1.20 0.00 0.00 173.24 175.78 3hhw n PHE 91 N 5.01 -2.45 -1.33 3.44 3.72 -1.26 -2.73 117.46 121.86 3hhw n PHE 91 Ca -0.10 0.96 -0.09 0.00 -0.05 0.00 0.00 57.45 58.17 3hhw n PHE 91 Cb 0.50 -4.97 -0.04 0.00 -0.94 0.00 0.00 39.48 34.03 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 -1.53 0.99 3.12 1.37 0.00 -1.26 -4.99 105.19 102.87 3hhw n GLY 92 Ca -0.16 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.34 3.44 -1.07 -0.61 -1.09 -1.11 -5.03 121.20 113.39 3hhw s ILE 93 Ca 0.00 -2.31 -0.22 0.00 -2.23 0.00 0.00 60.65 55.89 3hhw s ILE 93 Cb 0.00 -3.32 0.03 0.00 -1.58 0.00 0.00 42.46 37.59 3hhw s ILE 93 CO 0.00 -0.75 1.61 0.20 -1.23 0.00 0.00 174.94 174.77 3hhw s ASN 94 N 1.54 6.30 0.26 3.58 -0.87 -1.26 -2.87 114.94 121.62 3hhw s ASN 94 Ca 0.11 -1.56 0.14 0.00 -1.57 0.00 0.00 52.86 49.98 3hhw s ASN 94 Cb -0.22 -2.57 0.04 0.00 -0.02 0.00 0.00 41.25 38.48 3hhw s ASN 94 CO -0.04 -1.70 1.43 0.16 -2.57 0.00 0.00 177.10 174.39 3hhw h ILE 95 N 6.57 0.95 -3.53 0.60 3.07 -1.89 -3.47 117.51 119.82 3hhw h ILE 95 Ca 0.24 -2.34 -0.09 0.00 1.55 0.00 0.00 64.86 64.22 3hhw h ILE 95 Cb 0.98 2.47 -0.15 0.00 -0.27 0.00 0.00 36.82 39.84 3hhw h ILE 95 CO 1.39 0.54 -0.29 -0.83 -1.05 0.00 0.00 178.15 177.92 3hhw s GLY 96 N -4.49 -0.05 0.00 0.16 0.00 -1.12 -5.05 107.32 96.78 3hhw s GLY 96 Ca 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.49 3hhw s GLY 96 CO 0.75 -0.47 0.00 0.28 0.00 0.00 0.00 173.10 173.66 3hhw n LYS 97 N 0.25 2.10 0.03 2.90 5.02 -1.26 -2.77 118.16 124.43 3hhw n LYS 97 Ca -0.17 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.22 3hhw n LYS 97 Cb 0.61 0.00 0.44 0.00 -0.02 0.00 0.00 35.03 36.06 3hhw n LYS 97 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hhw n ALA 98 N -3.00 1.93 -0.06 7.82 0.00 -1.26 -3.89 120.51 122.04 3hhw n ALA 98 Ca 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 53.44 53.32 3hhw n ALA 98 Cb 0.00 -1.35 -0.09 0.00 0.00 0.00 0.00 19.45 18.02 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 0.58 -0.45 3.75 0.00 0.00 -1.26 -4.47 105.19 103.34 3hhw n GLY 99 Ca 0.05 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.81 6.54 -0.63 1.61 1.11 -1.25 -4.80 116.67 114.45 3hhw s ASP 100 Ca -0.11 2.80 -0.19 0.00 0.18 0.00 0.00 52.55 55.22 3hhw s ASP 100 Cb 0.04 -2.63 0.10 0.00 1.07 0.00 0.00 42.92 41.50 3hhw s ASP 100 CO 0.44 -0.77 0.78 -0.89 1.18 0.00 0.00 175.17 175.90 3hhw s THR 101 N -0.19 4.75 0.28 -1.27 2.01 -1.26 -2.80 115.64 117.16 3hhw s THR 101 Ca 0.59 -0.96 0.08 0.00 0.31 0.00 0.00 61.69 61.71 3hhw s THR 101 Cb -0.44 -4.54 -0.04 0.00 0.01 0.00 0.00 72.50 67.49 3hhw s THR 101 CO 0.47 -1.21 0.10 -0.51 -0.69 0.00 0.00 174.62 172.79 3hhw s ILE 102 N 2.85 3.69 0.00 1.82 1.10 0.67 -4.86 121.20 126.46 3hhw s ILE 102 Ca 0.15 -1.68 0.00 0.00 -0.51 0.00 0.00 60.65 58.61 3hhw s ILE 102 Cb -0.21 -3.06 0.00 0.00 0.15 0.00 0.00 42.46 39.33 3hhw s ILE 102 CO 0.06 -0.32 0.00 0.61 -2.11 0.00 0.00 174.94 173.18 3hhw n GLY 103 N -1.06 4.65 3.78 1.50 0.00 -1.25 -3.44 105.19 109.37 3hhw n GLY 103 Ca -0.06 -2.02 -0.29 0.00 0.00 0.00 0.00 46.02 43.65 3hhw n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hhw s ILE 104 N -0.99 1.94 0.00 -0.61 1.01 -1.26 -3.87 121.20 117.43 3hhw s ILE 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.65 3hhw s ILE 104 Cb 0.00 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.72 3hhw s ILE 104 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 174.94 175.43 3hhw n PHE 105 N -3.90 0.00 -1.36 3.97 3.72 -1.26 -4.86 117.46 113.77 3hhw n PHE 105 Ca 0.09 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.19 3hhw n PHE 105 Cb 0.59 -1.16 -0.07 0.00 -0.94 0.00 0.00 39.48 37.90 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 -0.14 7.26 0.00 4.37 8.00 -1.25 -4.21 116.55 130.58 3hhw n ASP 106 Ca 0.00 -2.73 0.00 0.00 0.71 0.00 0.00 54.79 52.77 3hhw n ASP 106 Cb 0.07 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 39.73 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 2.55 0.00 -3.66 0.64 4.32 -1.26 -4.97 117.00 114.61 3hhw n LEU 107 Ca 0.61 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 56.52 3hhw n LEU 107 Cb 0.49 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.20 3hhw n LEU 107 CO 0.53 0.00 0.06 -0.69 -1.22 0.00 0.00 177.39 176.07 3hhw s VAL 108 N 0.00 -0.65 -0.17 4.08 1.01 -1.25 -4.85 120.40 118.57 3hhw s VAL 108 Ca 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 3hhw s VAL 108 Cb 0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 3hhw s VAL 108 CO 0.00 0.06 -0.08 -0.55 0.00 0.00 0.00 175.10 174.52 3hhw s SER 109 N 2.57 4.21 0.39 3.32 0.15 -1.26 -3.36 113.70 119.72 3hhw s SER 109 Ca -0.03 -0.34 0.04 0.00 0.70 0.00 0.00 55.95 56.33 3hhw s SER 109 Cb -0.12 -1.68 -0.03 0.00 -1.71 0.00 0.00 66.02 62.48 3hhw s SER 109 CO -0.14 0.09 0.14 -0.76 1.20 0.00 0.00 173.24 173.77 3hhw s LEU 110 N 0.84 1.95 -0.03 3.45 1.43 -0.45 -4.97 118.68 120.91 3hhw s LEU 110 Ca -0.03 -1.67 0.05 0.00 -1.03 0.00 0.00 54.13 51.46 3hhw s LEU 110 Cb -0.15 -0.03 -0.03 0.00 0.03 0.00 0.00 46.19 46.01 3hhw s LEU 110 CO 0.01 -0.93 -0.17 -0.75 0.23 0.00 0.00 176.35 174.74 3hhw s LYS 111 N -3.70 2.35 0.20 1.70 2.20 -1.26 -2.25 119.74 118.98 3hhw s LYS 111 Ca 0.26 -0.79 -0.13 0.00 -0.36 0.00 0.00 55.97 54.95 3hhw s LYS 111 Cb 0.03 -2.29 -0.07 0.00 -1.51 0.00 0.00 37.83 33.99 3hhw s LYS 111 CO 0.16 0.60 0.59 0.00 -0.36 0.00 0.00 175.35 176.33 3hhw s ALA 112 N -0.76 3.53 0.27 3.13 0.00 -1.21 -4.74 121.76 121.97 3hhw s ALA 112 Ca 0.12 -0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.65 3hhw s ALA 112 Cb -0.10 -2.55 -0.11 0.00 0.00 0.00 0.00 23.12 20.35 3hhw s ALA 112 CO 0.01 0.44 1.55 -0.51 0.00 0.00 0.00 175.76 177.26 3hhw s LEU 113 N -2.36 4.36 0.40 0.00 2.01 -1.26 -4.52 118.68 117.31 3hhw s LEU 113 Ca 0.43 2.84 -0.25 0.00 0.01 0.00 0.00 54.13 57.16 3hhw s LEU 113 Cb -0.13 -3.63 -0.08 0.00 0.01 0.00 0.00 46.19 42.36 3hhw s LEU 113 CO 0.20 -0.85 1.19 -1.81 1.01 0.00 0.00 176.35 176.09 3hhw s ASP 114 N 0.51 6.49 0.00 2.29 1.11 -1.26 -4.74 116.67 121.07 3hhw s ASP 114 Ca 0.63 2.38 0.00 0.00 0.18 0.00 0.00 52.55 55.74 3hhw s ASP 114 Cb -0.46 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 40.91 3hhw s ASP 114 CO 0.45 -0.70 0.00 0.61 1.18 0.00 0.00 175.17 176.71 3hhw n GLY 115 N 0.64 0.00 3.59 0.21 0.00 -1.26 -5.11 105.19 103.25 3hhw n GLY 115 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3hhw n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hhw s VAL 116 N 0.00 3.48 0.12 1.61 0.11 -1.26 -4.90 120.40 119.56 3hhw s VAL 116 Ca 0.00 0.45 0.07 0.00 -2.93 0.00 0.00 61.98 59.57 3hhw s VAL 116 Cb 0.00 -3.75 -0.21 0.00 -1.53 0.00 0.00 36.38 30.89 3hhw s VAL 116 CO 0.00 -0.55 1.28 0.17 -3.33 0.00 0.00 175.10 172.68 3hhw h LEU 117 N 14.26 0.02 0.00 2.54 8.10 -2.02 -3.40 115.31 134.82 3hhw h LEU 117 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 57.88 57.65 3hhw h LEU 117 Cb 1.16 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 41.38 3hhw h LEU 117 CO 1.08 1.01 0.00 -2.65 -4.11 0.00 0.00 178.44 173.77 3hhw n PRO 118 N -3.37 0.00 -2.02 0.17 -0.02 -1.26 -4.84 135.00 123.65 3hhw n PRO 118 Ca -0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.37 3hhw n PRO 118 Cb 0.93 -0.90 -0.02 0.00 -0.02 0.00 0.00 33.50 33.49 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 -0.42 -3.11 -4.84 2.55 10.43 -1.26 -4.94 116.55 114.96 3hhw n ASP 119 Ca 0.00 0.25 -0.22 0.00 2.57 0.00 0.00 54.79 57.39 3hhw n ASP 119 Cb 0.00 -2.79 -0.04 0.00 1.84 0.00 0.00 41.12 40.13 3hhw n ASP 119 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3hhw s GLY 120 N -1.96 2.19 -0.52 0.44 0.00 -1.26 -4.85 107.32 101.35 3hhw s GLY 120 Ca 0.00 -1.93 -0.18 0.00 0.00 0.00 0.00 44.72 42.61 3hhw s GLY 120 CO 0.00 -1.75 0.63 -0.62 0.00 0.00 0.00 173.10 171.36 3hhw n VAL 121 N -1.48 -8.41 -4.27 1.40 0.31 -1.26 -4.87 118.33 99.75 3hhw n VAL 121 Ca 0.02 0.41 -0.27 0.00 -0.01 0.00 0.00 64.34 64.49 3hhw n VAL 121 Cb 0.62 -5.89 -0.09 0.00 -0.91 0.00 0.00 33.84 27.58 3hhw n VAL 121 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3hhw s SER 122 N -2.42 4.36 -0.10 4.52 0.15 -1.26 -4.42 113.70 114.53 3hhw s SER 122 Ca 0.22 -0.52 -0.04 0.00 0.70 0.00 0.00 55.95 56.31 3hhw s SER 122 Cb -0.04 -0.79 0.05 0.00 -1.71 0.00 0.00 66.02 63.53 3hhw s SER 122 CO 0.81 0.11 0.21 -0.62 1.20 0.00 0.00 173.24 174.95 3hhw s ASP 123 N -2.74 0.01 -0.36 5.45 2.15 -1.25 -5.00 116.67 114.93 3hhw s ASP 123 Ca 0.25 0.45 0.08 0.00 0.43 0.00 0.00 52.55 53.76 3hhw s ASP 123 Cb -0.09 0.38 0.69 0.00 -0.30 0.00 0.00 42.92 43.60 3hhw s ASP 123 CO 0.15 -0.18 1.80 0.00 -0.17 0.00 0.00 175.17 176.77 3hhw n ALA 124 N 4.56 4.84 0.07 3.66 0.00 -1.26 -4.20 120.51 128.17 3hhw n ALA 124 Ca -0.20 -2.60 -0.08 0.00 0.00 0.00 0.00 53.44 50.56 3hhw n ALA 124 Cb 0.52 -1.25 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 3hhw n ALA 124 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3hhw h SER 125 N 1.94 -0.23 -3.72 0.00 0.02 -1.97 -3.45 113.55 106.14 3hhw h SER 125 Ca 0.38 -0.20 -0.51 0.00 -0.84 0.00 0.00 61.79 60.62 3hhw h SER 125 Cb 2.43 0.06 0.02 0.00 0.14 0.00 0.00 62.40 65.05 3hhw h SER 125 CO 0.81 0.30 0.51 -0.13 -1.14 0.00 0.00 176.83 177.18 3hhw s ARG 126 N -2.93 4.58 0.00 3.45 1.81 -1.26 -4.92 118.95 119.68 3hhw s ARG 126 Ca -0.09 1.85 0.00 0.00 -1.72 0.00 0.00 55.73 55.77 3hhw s ARG 126 Cb 0.00 -3.20 0.00 0.00 -0.45 0.00 0.00 34.95 31.30 3hhw s ARG 126 CO 0.31 0.10 0.00 0.25 -0.68 0.00 0.00 175.30 175.28 3hhw n THR 127 N 1.56 0.00 0.04 0.02 -2.24 -1.26 -4.87 114.28 107.52 3hhw n THR 127 Ca 0.01 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.89 3hhw n THR 127 Cb 0.45 -0.10 0.28 0.00 -2.10 0.00 0.00 70.33 68.85 3hhw n THR 127 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3hhw n SER 128 N -1.68 3.38 -2.08 3.42 7.64 -1.26 -4.34 113.62 118.70 3hhw n SER 128 Ca 0.00 -1.99 -0.24 0.00 1.01 0.00 0.00 58.87 57.65 3hhw n SER 128 Cb 0.10 -0.40 0.09 0.00 -1.01 0.00 0.00 64.21 62.99 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 1.36 5.49 -1.00 -0.43 0.00 -1.26 -4.80 120.51 119.88 3hhw n ALA 129 Ca 0.21 -2.55 0.00 0.00 0.00 0.00 0.00 53.44 51.10 3hhw n ALA 129 Cb 0.54 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.54 0.00 -3.28 0.00 10.43 -1.26 -4.37 116.55 117.53 3hhw n ASP 130 Ca 0.48 0.00 -0.30 0.00 2.57 0.00 0.00 54.79 57.54 3hhw n ASP 130 Cb 0.93 0.00 -0.02 0.00 1.84 0.00 0.00 41.12 43.86 3hhw n ASP 130 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3hhw n ASP 131 N 0.00 5.92 0.00 -2.24 9.92 -1.26 -4.20 116.55 124.69 3hhw n ASP 131 Ca 0.00 -2.46 0.00 0.00 -0.53 0.00 0.00 54.79 51.80 3hhw n ASP 131 Cb 0.00 -1.28 0.00 0.00 -0.64 0.00 0.00 41.12 39.20 3hhw n ASP 131 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3hhw n LYS 132 N 4.32 0.00 0.00 -1.24 5.02 -1.26 -5.05 118.16 119.94 3hhw n LYS 132 Ca 0.56 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 3hhw n LYS 132 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.21 3hhw n LYS 132 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 3hhw n TRP 133 N -1.32 0.00 -0.00 2.13 4.27 -1.26 -4.76 117.44 116.49 3hhw n TRP 133 Ca 0.00 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.48 3hhw n TRP 133 Cb 0.00 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 29.85 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 -0.04 -1.11 5.67 5.85 -1.76 -3.00 115.31 120.92 3hhw h LEU 134 Ca 0.00 -0.51 -0.09 0.00 0.84 0.00 0.00 57.88 58.12 3hhw h LEU 134 Cb 0.37 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3hhw h LEU 134 CO 0.00 0.50 -0.35 -0.65 -0.34 0.00 0.00 178.44 177.60 3hhw h PRO 135 N -0.60 0.17 0.00 5.25 0.11 -1.88 -2.39 132.00 132.66 3hhw h PRO 135 Ca -0.00 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.95 3hhw h PRO 135 Cb 0.55 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.64 3hhw h PRO 135 CO 0.01 0.50 -0.40 1.25 -0.21 0.00 0.00 178.00 179.15 3hhw h LEU 136 N 0.15 0.00 -0.16 2.35 6.46 -1.86 -2.91 115.31 119.34 3hhw h LEU 136 Ca 0.02 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.61 3hhw h LEU 136 Cb 0.69 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.60 3hhw h LEU 136 CO 0.05 0.40 -0.78 0.22 -0.62 0.00 0.00 178.44 177.72 3hhw h TYR 137 N 0.00 0.00 -0.52 1.25 3.20 -1.29 -2.43 116.97 117.19 3hhw h TYR 137 Ca -0.00 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 3hhw h TYR 137 Cb 0.83 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 3hhw h TYR 137 CO 0.00 0.78 -0.08 -0.07 -1.64 0.00 0.00 178.16 177.15 3hhw h LEU 138 N 0.00 0.93 -0.64 2.82 3.38 -1.27 -2.54 115.31 118.00 3hhw h LEU 138 Ca -0.01 -0.28 -0.15 0.00 0.09 0.00 0.00 57.88 57.53 3hhw h LEU 138 Cb 1.53 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 3hhw h LEU 138 CO 0.10 1.03 -0.65 -0.07 0.09 0.00 0.00 178.44 178.94 3hhw h LEU 139 N 0.85 0.17 -1.08 1.67 3.38 -1.54 -3.25 115.31 115.50 3hhw h LEU 139 Ca 0.14 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3hhw h LEU 139 Cb 0.61 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3hhw h LEU 139 CO 0.04 0.77 -0.41 1.23 0.09 0.00 0.00 178.44 180.15 3hhw h GLY 140 N 1.68 0.00 2.00 0.83 0.00 -1.19 -2.88 103.07 103.52 3hhw h GLY 140 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3hhw h GLY 140 CO 0.09 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.67 3hhw n LEU 141 N -3.79 0.15 0.04 3.11 4.77 -0.98 -2.32 117.00 117.99 3hhw n LEU 141 Ca -0.01 0.52 -0.02 0.00 -0.03 0.00 0.00 56.01 56.48 3hhw n LEU 141 Cb 0.48 -0.49 0.25 0.00 -2.33 0.00 0.00 43.42 41.33 3hhw n LEU 141 CO 0.38 -0.17 0.77 0.22 -1.33 0.00 0.00 177.39 177.26 3hhw h TYR 142 N 0.00 0.44 -0.04 -1.77 3.20 -1.64 -1.84 116.97 115.32 3hhw h TYR 142 Ca 0.00 -0.08 -0.14 0.00 3.14 0.00 0.00 58.73 61.65 3hhw h TYR 142 Cb 0.42 -0.11 0.01 0.00 1.54 0.00 0.00 36.73 38.59 3hhw h TYR 142 CO 0.00 0.60 -0.51 -0.09 -1.64 0.00 0.00 178.16 176.53 3hhw h ARG 143 N 0.36 0.42 -0.38 1.82 2.43 -1.62 -3.27 114.38 114.14 3hhw h ARG 143 Ca 0.06 -0.39 -0.12 0.00 -0.81 0.00 0.00 59.98 58.71 3hhw h ARG 143 Cb 0.60 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 3hhw h ARG 143 CO 0.04 1.05 -0.25 0.28 -1.51 0.00 0.00 179.97 179.58 3hhw h VAL 144 N -0.07 1.27 -0.03 0.20 2.07 -1.51 -3.18 116.25 115.01 3hhw h VAL 144 Ca -0.05 -1.37 -0.12 0.00 0.82 0.00 0.00 66.70 65.98 3hhw h VAL 144 Cb 1.19 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 3hhw h VAL 144 CO 0.10 0.46 -0.55 1.23 0.02 0.00 0.00 177.57 178.83 3hhw h GLY 145 N 0.96 0.09 0.74 2.17 0.00 -1.46 -3.31 103.07 102.25 3hhw h GLY 145 Ca 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 3hhw h GLY 145 CO 0.06 0.09 -0.02 3.21 0.00 0.00 0.00 176.54 179.88 3hhw h ARG 146 N 0.06 0.22 -6.26 4.80 2.47 -1.59 -3.43 114.38 110.65 3hhw h ARG 146 Ca -0.00 -0.08 -0.56 0.00 -1.26 0.00 0.00 59.98 58.07 3hhw h ARG 146 Cb 0.99 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 29.27 3hhw h ARG 146 CO 0.08 0.52 1.06 -0.08 0.56 0.00 0.00 179.97 182.10 3hhw s THR 147 N -4.77 3.83 -2.30 2.04 -1.32 -1.24 -4.87 115.64 107.01 3hhw s THR 147 Ca -0.14 0.97 0.21 0.00 -1.21 0.00 0.00 61.69 61.51 3hhw s THR 147 Cb 0.05 -3.75 0.45 0.00 -1.51 0.00 0.00 72.50 67.74 3hhw s THR 147 CO 0.71 -0.23 1.45 0.00 -2.21 0.00 0.00 174.62 174.34 3hhw n GLN 148 N 7.29 2.23 -1.86 7.08 6.02 -1.26 -4.91 117.38 131.97 3hhw n GLN 148 Ca 0.17 -1.86 -0.32 0.00 -0.01 0.00 0.00 57.00 54.97 3hhw n GLN 148 Cb 0.45 -1.46 0.03 0.00 1.02 0.00 0.00 30.24 30.28 3hhw n GLN 148 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3hhw s MET 149 N -1.52 3.09 -0.49 -1.09 -1.94 -1.26 -4.90 119.30 111.19 3hhw s MET 149 Ca 0.36 1.19 -0.26 0.00 -1.71 0.00 0.00 55.69 55.27 3hhw s MET 149 Cb 0.20 -2.00 -0.24 0.00 2.01 0.00 0.00 34.83 34.80 3hhw s MET 149 CO 0.28 -0.99 1.80 -2.30 -0.01 0.00 0.00 175.02 173.80 3hhw n PRO 150 N -2.40 0.91 -1.48 2.03 -0.02 -1.26 -4.10 135.00 128.67 3hhw n PRO 150 Ca 0.09 -1.53 -0.02 0.00 -2.02 0.00 0.00 63.50 60.02 3hhw n PRO 150 Cb 0.53 -2.79 -0.01 0.00 -0.02 0.00 0.00 33.50 31.21 3hhw n PRO 150 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3hhw n GLU 151 N 7.43 0.27 -0.04 -0.52 2.13 -1.26 -4.94 120.64 123.71 3hhw n GLU 151 Ca 0.48 -1.57 -0.10 0.00 0.66 0.00 0.00 57.16 56.63 3hhw n GLU 151 Cb 0.41 0.15 0.04 0.00 0.27 0.00 0.00 31.44 32.32 3hhw n GLU 151 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 3hhw h TYR 152 N 0.65 0.84 -0.15 4.31 0.05 -1.91 -2.88 116.97 117.89 3hhw h TYR 152 Ca -0.40 -0.27 -0.22 0.00 0.05 0.00 0.00 58.73 57.89 3hhw h TYR 152 Cb 1.56 -0.17 0.01 0.00 1.01 0.00 0.00 36.73 39.14 3hhw h TYR 152 CO 0.01 1.03 -0.77 -0.09 -1.05 0.00 0.00 178.16 177.29 3hhw h ARG 153 N 0.55 0.75 -0.12 4.88 9.65 -1.95 -2.64 114.38 125.49 3hhw h ARG 153 Ca 0.03 -0.61 -0.09 0.00 -1.10 0.00 0.00 59.98 58.22 3hhw h ARG 153 Cb 1.02 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.72 3hhw h ARG 153 CO 0.10 1.22 -0.31 -0.22 2.80 0.00 0.00 179.97 183.55 3hhw h LYS 154 N 0.51 0.23 0.00 0.20 3.64 -1.95 0.26 116.57 119.46 3hhw h LYS 154 Ca -0.05 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3hhw h LYS 154 Cb 1.39 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 3hhw h LYS 154 CO 0.16 0.53 -0.23 1.63 -2.27 0.00 0.00 179.45 179.26 3hhw n LYS 155 N -4.11 0.16 -0.07 1.90 4.76 -1.09 -3.31 118.16 116.40 3hhw n LYS 155 Ca -0.01 0.09 0.08 0.00 -2.87 0.00 0.00 58.31 55.61 3hhw n LYS 155 Cb 0.40 -1.65 0.11 0.00 -1.84 0.00 0.00 35.03 32.06 3hhw n LYS 155 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3hhw n LEU 156 N -1.91 2.65 -0.06 -0.35 7.94 -0.74 -3.77 117.00 120.76 3hhw n LEU 156 Ca 0.05 -1.26 -0.04 0.00 -1.11 0.00 0.00 56.01 53.65 3hhw n LEU 156 Cb 0.39 -0.09 -0.03 0.00 0.53 0.00 0.00 43.42 44.22 3hhw n LEU 156 CO 0.32 0.54 0.03 0.24 -1.11 0.00 0.00 177.39 177.40 3hhw h MET 157 N 3.21 0.00 -0.00 1.96 2.86 -0.52 -3.37 114.93 119.07 3hhw h MET 157 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3hhw h MET 157 Cb 0.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.39 3hhw h MET 157 CO 0.00 0.26 -0.24 -0.40 1.06 0.00 0.00 176.91 177.59 3hhw n ASP 158 N -4.71 0.29 -2.29 1.22 3.85 -1.25 -2.91 116.55 110.75 3hhw n ASP 158 Ca -0.04 0.03 -0.31 0.00 -0.71 0.00 0.00 54.79 53.76 3hhw n ASP 158 Cb 0.16 -0.11 0.12 0.00 -1.35 0.00 0.00 41.12 39.94 3hhw n ASP 158 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hhw n GLY 159 N 1.48 5.33 0.00 6.12 0.00 -1.25 -4.15 105.19 112.72 3hhw n GLY 159 Ca 0.07 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.26 3hhw n GLY 159 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hhw n LEU 160 N -1.00 0.00 0.20 0.99 7.94 -1.24 -4.89 117.00 119.00 3hhw n LEU 160 Ca 0.62 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 55.56 3hhw n LEU 160 Cb 1.05 0.00 0.40 0.00 0.53 0.00 0.00 43.42 45.41 3hhw n LEU 160 CO 0.72 0.00 0.74 0.74 -1.11 0.00 0.00 177.39 178.48 3hhw h THR 161 N 0.00 1.05 0.00 1.96 2.02 -1.72 -2.67 112.91 113.54 3hhw h THR 161 Ca 0.00 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 65.90 3hhw h THR 161 Cb 0.00 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 3hhw h THR 161 CO 0.00 0.34 0.00 0.78 0.37 0.00 0.00 175.52 177.01 3hhw h ASN 162 N 0.00 0.00 0.66 4.18 4.21 -1.86 -3.06 115.58 119.71 3hhw h ASN 162 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3hhw h ASN 162 Cb 0.70 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.90 3hhw h ASN 162 CO 0.05 0.00 -0.92 0.00 -1.29 0.00 0.00 177.43 175.26 3hhw n GLN 163 N -3.06 0.35 0.16 0.81 6.02 -1.01 -3.90 117.38 116.75 3hhw n GLN 163 Ca 0.01 0.04 0.13 0.00 -0.01 0.00 0.00 57.00 57.17 3hhw n GLN 163 Cb 0.33 -1.66 0.50 0.00 1.02 0.00 0.00 30.24 30.43 3hhw n GLN 163 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hhw n LYS 165 N -2.43 0.21 -0.03 0.00 5.02 -1.25 -4.06 118.16 115.61 3hhw n LYS 165 Ca 0.02 0.12 -0.02 0.00 -2.02 0.00 0.00 58.31 56.41 3hhw n LYS 165 Cb 0.29 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.79 3hhw n LYS 165 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3hhw n MET 166 N -1.34 0.19 0.10 1.97 2.81 -1.16 -5.04 117.12 114.65 3hhw n MET 166 Ca 0.08 0.26 0.00 0.00 -1.81 0.00 0.00 57.70 56.23 3hhw n MET 166 Cb 0.17 -1.03 0.00 0.00 -0.71 0.00 0.00 33.22 31.65 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 -3.22 0.27 -4.11 2.02 -5.35 -1.26 -5.11 119.36 102.61 3hhw n ILE 167 Ca -0.04 0.09 -0.14 0.00 -0.27 0.00 0.00 62.75 62.40 3hhw n ILE 167 Cb 0.14 -0.69 -0.11 0.00 -1.74 0.00 0.00 39.64 37.24 3hhw n ILE 167 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 3hhw s ASN 168 N -5.07 1.12 -0.84 7.28 0.01 -1.26 -5.09 114.94 111.08 3hhw s ASN 168 Ca 0.00 -0.68 -0.18 0.00 -0.71 0.00 0.00 52.86 51.29 3hhw s ASN 168 Cb 0.00 0.03 0.14 0.00 0.41 0.00 0.00 41.25 41.83 3hhw s ASN 168 CO 0.00 -0.24 0.99 -1.61 -1.51 0.00 0.00 177.10 174.73 3hhw s GLU 169 N -2.19 3.49 0.05 -0.60 2.02 -1.26 -4.49 118.70 115.72 3hhw s GLU 169 Ca -0.03 -1.76 -0.02 0.00 0.02 0.00 0.00 54.97 53.18 3hhw s GLU 169 Cb -0.06 -4.68 -0.03 0.00 0.10 0.00 0.00 34.13 29.45 3hhw s GLU 169 CO -0.00 -1.66 0.01 -0.65 0.02 0.00 0.00 175.26 172.98 3hhw s GLN 170 N 2.33 0.58 0.01 1.61 -0.21 -1.26 -5.13 119.66 117.59 3hhw s GLN 170 Ca 0.26 -1.05 0.00 0.00 0.02 0.00 0.00 55.36 54.60 3hhw s GLN 170 Cb -0.09 0.21 -0.01 0.00 1.00 0.00 0.00 33.01 34.12 3hhw s GLN 170 CO -0.06 -0.12 -0.02 -0.59 -2.12 0.00 0.00 175.29 172.39 3hhw s PHE 171 N -3.38 0.16 -0.14 0.91 -0.12 -1.26 -5.01 117.98 109.13 3hhw s PHE 171 Ca 0.02 -0.18 -0.11 0.00 -0.05 0.00 0.00 56.93 56.60 3hhw s PHE 171 Cb 0.04 -0.10 -0.06 0.00 -0.63 0.00 0.00 43.02 42.26 3hhw s PHE 171 CO -0.08 -0.06 -0.25 0.39 -0.05 0.00 0.00 175.22 175.17 3hhw n GLU 172 N 2.57 0.39 -1.73 1.99 1.02 -1.26 -5.03 120.64 118.59 3hhw n GLU 172 Ca -0.16 0.16 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 3hhw n GLU 172 Cb 0.58 -1.17 0.07 0.00 -0.02 0.00 0.00 31.44 30.90 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 -2.50 2.54 0.85 3.49 0.02 -1.26 -4.33 135.00 133.81 3hhw s PRO 173 Ca -0.24 1.96 -0.11 0.00 0.02 0.00 0.00 61.00 62.63 3hhw s PRO 173 Cb 0.07 -1.86 0.10 0.00 0.02 0.00 0.00 34.50 32.83 3hhw s PRO 173 CO 0.32 -1.58 1.09 -0.51 -0.33 0.00 0.00 177.00 175.99 3hhw s LEU 174 N -4.47 2.52 -0.07 -5.54 1.43 -1.26 -4.93 118.68 106.37 3hhw s LEU 174 Ca 0.80 1.56 -0.21 0.00 -1.03 0.00 0.00 54.13 55.25 3hhw s LEU 174 Cb -0.34 -4.09 -0.17 0.00 0.03 0.00 0.00 46.19 41.62 3hhw s LEU 174 CO 0.39 -2.38 0.83 0.58 0.23 0.00 0.00 176.35 176.01 3hhw h VAL 175 N -1.37 1.00 0.00 -1.59 2.07 -1.94 -3.27 116.25 111.15 3hhw h VAL 175 Ca -0.47 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 65.72 3hhw h VAL 175 Cb 1.27 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 3hhw h VAL 175 CO 0.54 0.28 -0.23 1.55 0.02 0.00 0.00 177.57 179.73 3hhw h PRO 176 N -0.86 0.00 0.00 1.57 0.14 -2.04 -3.42 132.00 127.40 3hhw h PRO 176 Ca -0.01 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.13 3hhw h PRO 176 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.70 3hhw h PRO 176 CO 0.02 0.00 -0.01 0.39 0.14 0.00 0.00 178.00 178.54 3hhw n GLU 177 N -3.66 0.26 -0.96 0.86 1.02 -1.26 -3.80 120.64 113.09 3hhw n GLU 177 Ca -0.03 0.21 -0.15 0.00 -0.02 0.00 0.00 57.16 57.16 3hhw n GLU 177 Cb 0.12 -1.79 -0.01 0.00 -0.02 0.00 0.00 31.44 29.73 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 1.32 3.73 0.00 0.62 0.00 -1.23 -3.57 105.19 106.05 3hhw n GLY 178 Ca 0.06 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3hhw n GLY 178 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hhw n ARG 179 N 0.93 2.84 0.00 1.61 1.74 -1.25 -4.11 116.66 118.42 3hhw n ARG 179 Ca 0.30 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.49 3hhw n ARG 179 Cb 0.60 -0.74 0.15 0.00 -1.02 0.00 0.00 32.46 31.44 3hhw n ARG 179 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3hhw n ASP 180 N -0.84 0.69 -0.01 0.55 8.00 -1.23 -4.36 116.55 119.35 3hhw n ASP 180 Ca 0.00 -0.52 -0.18 0.00 0.71 0.00 0.00 54.79 54.80 3hhw n ASP 180 Cb 0.05 0.46 -0.08 0.00 -0.02 0.00 0.00 41.12 41.54 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 0.10 1.28 -0.41 0.53 3.07 -1.86 -3.25 117.51 116.96 3hhw h ILE 181 Ca 0.00 -2.02 0.00 0.00 1.55 0.00 0.00 64.86 64.39 3hhw h ILE 181 Cb 0.50 2.08 0.00 0.00 -0.27 0.00 0.00 36.82 39.14 3hhw h ILE 181 CO 0.00 0.64 0.00 2.22 -1.05 0.00 0.00 178.15 179.96 3hhw n PHE 182 N -3.94 0.55 0.35 0.16 1.16 -1.26 -3.40 117.46 111.07 3hhw n PHE 182 Ca -0.08 -0.27 0.12 0.00 -1.87 0.00 0.00 57.45 55.35 3hhw n PHE 182 Cb 0.77 0.00 0.22 0.00 -1.61 0.00 0.00 39.48 38.86 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 2.52 0.00 1.21 5.98 5.19 -1.77 -3.19 116.42 126.36 3hhw h ASP 183 Ca 0.00 -0.01 -0.11 0.00 -0.62 0.00 0.00 57.03 56.29 3hhw h ASP 183 Cb 0.57 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.07 3hhw h ASP 183 CO 0.00 0.01 -0.51 0.58 -3.12 0.00 0.00 179.24 176.20 3hhw h VAL 184 N 0.00 0.96 -0.44 -1.35 2.07 -1.74 -3.36 116.25 112.39 3hhw h VAL 184 Ca 0.00 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.43 3hhw h VAL 184 Cb 0.91 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.95 3hhw h VAL 184 CO 0.00 0.50 0.29 -0.50 0.02 0.00 0.00 177.57 177.87 3hhw h TRP 185 N 0.00 0.56 0.00 1.57 4.06 -1.75 -2.66 115.95 117.73 3hhw h TRP 185 Ca -0.01 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.96 3hhw h TRP 185 Cb 1.25 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 29.22 3hhw h TRP 185 CO 0.00 0.36 0.00 0.78 -3.56 0.00 0.00 178.44 176.02 3hhw h GLY 186 N 0.59 0.00 2.00 1.49 0.00 -1.74 -2.27 103.07 103.13 3hhw h GLY 186 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.39 3hhw h GLY 186 CO -0.03 0.00 -0.47 3.43 0.00 0.00 0.00 176.54 179.47 3hhw h ASN 187 N 0.00 0.00 -2.96 0.19 2.35 -1.68 -3.45 115.58 110.03 3hhw h ASN 187 Ca 0.00 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.19 3hhw h ASN 187 Cb 0.30 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 3hhw h ASN 187 CO 0.00 0.47 0.84 -0.62 -1.65 0.00 0.00 177.43 176.46 3hhw s ASP 188 N -6.44 6.96 0.24 5.81 2.15 -0.86 -4.94 116.67 119.60 3hhw s ASP 188 Ca 0.03 1.79 -0.06 0.00 0.43 0.00 0.00 52.55 54.75 3hhw s ASP 188 Cb 0.08 -2.55 0.25 0.00 -0.30 0.00 0.00 42.92 40.40 3hhw s ASP 188 CO 0.73 -0.70 1.86 -1.28 -0.17 0.00 0.00 175.17 175.61 3hhw h SER 189 N 7.98 1.08 -0.11 -0.34 0.87 -1.87 -3.14 113.55 118.02 3hhw h SER 189 Ca -0.31 -0.10 -0.21 0.00 -1.23 0.00 0.00 61.79 59.94 3hhw h SER 189 Cb 1.13 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 62.83 3hhw h SER 189 CO 0.93 0.88 -0.75 0.78 -0.53 0.00 0.00 176.83 178.15 3hhw h ASN 190 N 1.20 0.85 -0.76 6.23 2.35 -1.93 -2.99 115.58 120.53 3hhw h ASN 190 Ca 0.30 -0.66 -0.02 0.00 -0.55 0.00 0.00 56.30 55.37 3hhw h ASN 190 Cb 0.05 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.14 3hhw h ASN 190 CO -0.05 1.37 0.38 0.22 -1.65 0.00 0.00 177.43 177.71 3hhw h TYR 191 N 0.38 1.07 -0.04 1.19 3.20 -1.87 -2.50 116.97 118.41 3hhw h TYR 191 Ca -0.06 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.68 3hhw h TYR 191 Cb 1.39 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 3hhw h TYR 191 CO 0.10 0.78 -0.38 1.15 -1.64 0.00 0.00 178.16 178.16 3hhw h THR 192 N 1.06 1.29 -0.17 1.81 2.02 -1.60 -1.98 112.91 115.33 3hhw h THR 192 Ca 0.26 -1.37 -0.08 0.00 0.77 0.00 0.00 66.41 65.99 3hhw h THR 192 Cb 0.09 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 3hhw h THR 192 CO -0.04 0.40 -0.26 0.11 0.37 0.00 0.00 175.52 176.10 3hhw h LYS 193 N 0.07 0.32 -0.08 6.66 1.57 -1.30 -2.42 116.57 121.39 3hhw h LYS 193 Ca 0.01 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 3hhw h LYS 193 Cb 0.71 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3hhw h LYS 193 CO 0.05 0.56 -0.21 0.82 -0.57 0.00 0.00 179.45 180.11 3hhw h ILE 194 N 0.29 1.42 -0.72 1.86 2.04 -1.02 -2.39 117.51 118.97 3hhw h ILE 194 Ca 0.04 -1.55 0.06 0.00 1.00 0.00 0.00 64.86 64.41 3hhw h ILE 194 Cb 0.62 2.23 -0.06 0.00 -0.74 0.00 0.00 36.82 38.88 3hhw h ILE 194 CO 0.04 0.44 0.42 0.58 0.00 0.00 0.00 178.15 179.64 3hhw h VAL 195 N -0.21 1.00 -0.18 1.67 2.07 -1.32 -0.88 116.25 118.40 3hhw h VAL 195 Ca -0.00 -0.27 -0.14 0.00 0.82 0.00 0.00 66.70 67.10 3hhw h VAL 195 Cb 0.82 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3hhw h VAL 195 CO 0.04 0.14 -0.49 0.00 0.02 0.00 0.00 177.57 177.28 3hhw h ALA 196 N 1.36 0.80 -0.39 1.67 0.00 -1.51 -2.86 119.26 118.34 3hhw h ALA 196 Ca 0.32 -0.48 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 3hhw h ALA 196 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3hhw h ALA 196 CO -0.17 0.67 -0.37 0.00 0.00 0.00 0.00 179.25 179.38 3hhw h ALA 197 N 1.07 0.57 0.29 0.00 0.00 -0.84 -0.27 119.26 120.07 3hhw h ALA 197 Ca 0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3hhw h ALA 197 Cb 1.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3hhw h ALA 197 CO 0.09 0.66 -0.14 0.28 0.00 0.00 0.00 179.25 180.14 3hhw h VAL 198 N 0.75 0.75 -0.33 0.00 2.07 -1.25 -1.90 116.25 116.34 3hhw h VAL 198 Ca 0.06 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 3hhw h VAL 198 Cb 0.96 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3hhw h VAL 198 CO 0.09 0.06 -0.02 -0.78 0.02 0.00 0.00 177.57 176.94 3hhw h ASP 199 N -0.53 0.49 -0.25 0.57 3.58 -1.47 -1.17 116.42 117.64 3hhw h ASP 199 Ca -0.04 -0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.24 3hhw h ASP 199 Cb 0.39 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 3hhw h ASP 199 CO 0.06 0.57 -0.13 -0.03 -2.88 0.00 0.00 179.24 176.84 3hhw h MET 200 N 0.49 0.53 -0.38 0.28 4.05 -1.06 -2.18 114.93 116.67 3hhw h MET 200 Ca 0.10 -0.24 0.00 0.00 -0.28 0.00 0.00 59.70 59.29 3hhw h MET 200 Cb 0.35 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 3hhw h MET 200 CO 0.01 0.79 0.24 0.35 0.23 0.00 0.00 176.91 178.54 3hhw h PHE 201 N 0.26 0.49 0.00 1.39 3.57 -0.79 -2.47 116.94 119.39 3hhw h PHE 201 Ca 0.06 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3hhw h PHE 201 Cb 0.64 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.21 3hhw h PHE 201 CO 0.06 0.33 0.00 1.19 -2.23 0.00 0.00 178.31 177.67 3hhw n PHE 202 N -4.80 0.51 0.11 0.41 3.72 -0.49 -1.48 117.46 115.44 3hhw n PHE 202 Ca 0.00 0.15 -0.03 0.00 -0.05 0.00 0.00 57.45 57.52 3hhw n PHE 202 Cb 0.04 -0.75 0.05 0.00 -0.94 0.00 0.00 39.48 37.88 3hhw n PHE 202 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3hhw h HIS 203 N 0.00 0.00 0.35 1.38 2.76 -1.00 -3.20 115.15 115.45 3hhw h HIS 203 Ca 0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 3hhw h HIS 203 Cb 0.62 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.58 3hhw h HIS 203 CO 0.00 0.77 -0.17 1.98 -1.30 0.00 0.00 177.93 179.22 3hhw h MET 204 N 0.00 -0.45 -4.15 5.26 1.85 -1.06 -3.38 114.93 112.99 3hhw h MET 204 Ca -0.01 0.03 -0.74 0.00 -0.61 0.00 0.00 59.70 58.37 3hhw h MET 204 Cb 1.39 0.10 -0.16 0.00 0.43 0.00 0.00 31.60 33.36 3hhw h MET 204 CO 0.10 -0.29 1.77 1.19 -0.40 0.00 0.00 176.91 179.28 3hhw n PHE 205 N -5.09 3.92 -0.26 1.39 3.72 -0.55 -4.81 117.46 115.78 3hhw n PHE 205 Ca -0.06 -3.05 -0.07 0.00 -0.05 0.00 0.00 57.45 54.22 3hhw n PHE 205 Cb 0.19 -2.10 0.05 0.00 -0.94 0.00 0.00 39.48 36.68 3hhw n PHE 205 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3hhw h LYS 206 N 6.43 1.13 -0.00 -1.08 1.57 -1.75 -3.15 116.57 119.72 3hhw h LYS 206 Ca 0.37 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3hhw h LYS 206 Cb 0.74 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3hhw h LYS 206 CO 1.46 0.97 -0.27 1.63 -0.57 0.00 0.00 179.45 182.67 3hhw n LYS 207 N -4.27 0.09 -1.76 3.15 4.76 -1.26 -4.86 118.16 114.02 3hhw n LYS 207 Ca 0.06 -0.04 -0.41 0.00 -2.87 0.00 0.00 58.31 55.04 3hhw n LYS 207 Cb 0.23 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.91 3hhw n LYS 207 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 3hhw n HIS 208 N -1.42 2.90 0.37 2.13 -0.00 -1.19 -4.89 115.22 113.11 3hhw n HIS 208 Ca 0.07 0.34 0.11 0.00 0.46 0.00 0.00 57.72 58.70 3hhw n HIS 208 Cb 0.33 -2.57 0.46 0.00 -0.12 0.00 0.00 29.99 28.09 3hhw n HIS 208 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 3hhw n GLU 209 N 1.42 0.15 -0.75 1.57 0.28 -1.26 -1.75 120.64 120.29 3hhw n GLU 209 Ca 0.05 0.43 0.08 0.00 -0.16 0.00 0.00 57.16 57.56 3hhw n GLU 209 Cb 0.38 -1.81 0.37 0.00 1.43 0.00 0.00 31.44 31.81 3hhw n GLU 209 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hhw n ALA 211 N 0.80 1.96 0.29 0.00 0.00 -0.72 -3.16 120.51 119.70 3hhw n ALA 211 Ca 0.26 -0.08 0.19 0.00 0.00 0.00 0.00 53.44 53.80 3hhw n ALA 211 Cb 1.04 -1.31 0.96 0.00 0.00 0.00 0.00 19.45 20.13 3hhw n ALA 211 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hhw h SER 212 N 0.00 0.00 0.02 0.00 0.87 -1.83 -2.14 113.55 110.46 3hhw h SER 212 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3hhw h SER 212 Cb 0.24 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 3hhw h SER 212 CO 0.00 0.00 -0.00 -0.26 -0.53 0.00 0.00 176.83 176.04 3hhw h PHE 213 N 0.00 0.00 0.00 2.24 0.04 -1.92 -2.92 116.94 114.38 3hhw h PHE 213 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3hhw h PHE 213 Cb 0.09 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.24 3hhw h PHE 213 CO 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 178.31 177.71 3hhw h ARG 214 N 0.00 0.00 -6.22 1.51 3.08 -1.68 -3.37 114.38 107.71 3hhw h ARG 214 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3hhw h ARG 214 Cb 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 3hhw h ARG 214 CO 0.00 0.01 1.28 0.71 -1.07 0.00 0.00 179.97 180.89 3hhw s TYR 215 N -4.33 1.52 0.00 3.04 2.02 -1.11 0.47 117.35 118.96 3hhw s TYR 215 Ca -0.05 0.18 0.00 0.00 -0.37 0.00 0.00 57.07 56.83 3hhw s TYR 215 Cb 0.14 -4.06 0.00 0.00 -0.40 0.00 0.00 41.96 37.64 3hhw s TYR 215 CO 0.47 -4.25 0.00 0.41 -1.57 0.00 0.00 175.55 170.61 3hhw n GLY 216 N 4.95 2.41 0.01 0.71 0.00 -1.26 -4.56 105.19 107.43 3hhw n GLY 216 Ca 0.23 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.32 3hhw n GLY 216 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hhw n THR 217 N -2.00 0.00 0.25 2.61 -1.04 0.20 -4.18 114.28 110.12 3hhw n THR 217 Ca 0.00 -0.34 0.13 0.00 -2.04 0.00 0.00 64.05 61.80 3hhw n THR 217 Cb 0.00 0.21 0.61 0.00 -1.82 0.00 0.00 70.33 69.33 3hhw n THR 217 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 3hhw h ILE 218 N 0.00 0.37 0.00 12.58 2.10 -0.30 -2.89 117.51 129.37 3hhw h ILE 218 Ca 0.00 -0.78 0.00 0.00 1.08 0.00 0.00 64.86 65.16 3hhw h ILE 218 Cb 0.69 1.57 0.00 0.00 -1.09 0.00 0.00 36.82 38.00 3hhw h ILE 218 CO 0.00 0.13 0.00 1.33 -1.08 0.00 0.00 178.15 178.53 3hhw n VAL 219 N -3.34 0.18 0.19 2.19 0.24 -1.26 -2.69 118.33 113.84 3hhw n VAL 219 Ca -0.00 0.05 0.10 0.00 -2.04 0.00 0.00 64.34 62.44 3hhw n VAL 219 Cb 0.34 -0.65 0.12 0.00 -1.47 0.00 0.00 33.84 32.18 3hhw n VAL 219 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3hhw h SER 220 N 0.00 0.00 -3.18 -1.34 4.64 -1.83 -3.38 113.55 108.46 3hhw h SER 220 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 3hhw h SER 220 Cb 0.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 3hhw h SER 220 CO 0.00 0.10 0.62 -0.60 -0.87 0.00 0.00 176.83 176.09 3hhw s ARG 221 N -3.18 4.39 -1.50 4.77 3.52 -1.09 -3.10 118.95 122.76 3hhw s ARG 221 Ca 0.05 1.52 0.00 0.00 -0.13 0.00 0.00 55.73 57.17 3hhw s ARG 221 Cb 0.06 -3.54 0.00 0.00 -1.56 0.00 0.00 34.95 29.91 3hhw s ARG 221 CO 0.70 -0.37 0.00 1.19 -0.81 0.00 0.00 175.30 176.01 3hhw n PHE 222 N 5.06 -0.40 -0.21 5.12 3.72 -0.09 -4.85 117.46 125.81 3hhw n PHE 222 Ca 0.10 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.63 3hhw n PHE 222 Cb 0.48 -2.75 0.43 0.00 -0.94 0.00 0.00 39.48 36.71 3hhw n PHE 222 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3hhw h LYS 223 N 0.00 0.55 0.00 -1.08 3.64 -1.69 0.03 116.57 118.02 3hhw h LYS 223 Ca -0.30 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3hhw h LYS 223 Cb 0.97 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 3hhw h LYS 223 CO 0.43 0.37 -0.74 -0.25 -2.27 0.00 0.00 179.45 176.99 3hhw n ASP 224 N -4.51 0.62 -3.20 4.20 8.00 -1.26 -4.60 116.55 115.80 3hhw n ASP 224 Ca 0.15 -0.25 -0.37 0.00 0.71 0.00 0.00 54.79 55.03 3hhw n ASP 224 Cb 0.47 0.48 -0.00 0.00 -0.02 0.00 0.00 41.12 42.05 3hhw n ASP 224 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hhw h ALA 226 N 3.85 1.24 -0.00 0.00 0.00 -1.60 -2.80 119.26 119.95 3hhw h ALA 226 Ca 0.57 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3hhw h ALA 226 Cb 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hhw h ALA 226 CO 1.25 0.54 -0.44 0.00 0.00 0.00 0.00 179.25 180.60 3hhw h ALA 227 N 1.57 1.27 -0.00 0.00 0.00 -1.38 -0.55 119.26 120.17 3hhw h ALA 227 Ca -0.00 -0.40 -0.22 0.00 0.00 0.00 0.00 54.91 54.28 3hhw h ALA 227 Cb 0.78 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3hhw h ALA 227 CO 0.06 0.55 -0.93 -0.07 0.00 0.00 0.00 179.25 178.85 3hhw h LEU 228 N 0.00 0.52 0.03 0.00 3.38 -1.69 -3.08 115.31 114.46 3hhw h LEU 228 Ca -0.00 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 3hhw h LEU 228 Cb 0.78 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3hhw h LEU 228 CO 0.06 1.21 -0.01 0.00 0.09 0.00 0.00 178.44 179.78 3hhw h ALA 229 N 0.76 -0.04 -0.97 1.53 0.00 -1.22 -0.85 119.26 118.47 3hhw h ALA 229 Ca -0.08 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.82 3hhw h ALA 229 Cb 1.57 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.30 3hhw h ALA 229 CO 0.16 -0.44 0.62 0.00 0.00 0.00 0.00 179.25 179.59 3hhw h THR 230 N -0.20 1.06 -0.46 0.00 1.03 -1.19 0.35 112.91 113.50 3hhw h THR 230 Ca -0.00 -0.38 -0.04 0.00 -0.01 0.00 0.00 66.41 65.97 3hhw h THR 230 Cb 0.19 -0.15 -0.02 0.00 -1.07 0.00 0.00 68.15 67.10 3hhw h THR 230 CO 0.01 0.20 0.13 0.15 -0.01 0.00 0.00 175.52 176.00 3hhw h PHE 231 N 1.12 0.77 -0.44 0.00 3.57 -1.46 -1.59 116.94 118.90 3hhw h PHE 231 Ca 0.43 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.84 3hhw h PHE 231 Cb 0.20 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 3hhw h PHE 231 CO -0.01 0.69 0.27 0.78 -2.23 0.00 0.00 178.31 177.82 3hhw h GLY 232 N 0.62 0.64 1.82 2.40 0.00 0.18 -2.42 103.07 106.30 3hhw h GLY 232 Ca 0.15 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 3hhw h GLY 232 CO -0.00 0.25 -0.14 0.84 0.00 0.00 0.00 176.54 177.49 3hhw h HIS 233 N 0.59 0.23 -0.10 5.60 -0.00 -0.18 -2.64 115.15 118.65 3hhw h HIS 233 Ca 0.16 -0.03 -0.21 0.00 -0.00 0.00 0.00 60.37 60.30 3hhw h HIS 233 Cb -0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.33 3hhw h HIS 233 CO -0.04 0.37 -0.78 1.25 -0.00 0.00 0.00 177.93 178.73 3hhw h LEU 234 N 0.21 0.68 -0.87 0.26 5.85 -1.04 -1.80 115.31 118.60 3hhw h LEU 234 Ca 0.04 -0.46 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 3hhw h LEU 234 Cb 0.39 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3hhw h LEU 234 CO 0.02 1.23 0.40 0.00 -0.34 0.00 0.00 178.44 179.75 3hhw h LYS 236 N 1.20 0.54 0.00 0.00 1.57 -1.44 0.11 116.57 118.55 3hhw h LYS 236 Ca 0.29 -0.48 -0.08 0.00 -1.87 0.00 0.00 60.65 58.51 3hhw h LYS 236 Cb 0.13 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3hhw h LYS 236 CO -0.04 1.11 -0.36 0.97 -0.57 0.00 0.00 179.45 180.57 3hhw h ILE 237 N 0.35 0.88 0.00 1.86 -0.00 -1.22 -3.17 117.51 116.22 3hhw h ILE 237 Ca -0.06 -1.44 -0.18 0.00 -0.00 0.00 0.00 64.86 63.18 3hhw h ILE 237 Cb 1.43 1.88 -0.03 0.00 -0.00 0.00 0.00 36.82 40.09 3hhw h ILE 237 CO 0.15 0.35 -2.11 0.35 -0.00 0.00 0.00 178.15 176.89 3hhw n THR 238 N -3.57 0.67 -1.09 2.19 -2.24 -0.80 -5.00 114.28 104.43 3hhw n THR 238 Ca -0.00 -0.63 -0.03 0.00 -2.27 0.00 0.00 64.05 61.11 3hhw n THR 238 Cb 0.49 -0.24 -0.01 0.00 -2.10 0.00 0.00 70.33 68.46 3hhw n THR 238 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hhw n GLY 239 N 1.61 0.62 3.94 3.38 0.00 0.38 -5.04 105.19 110.08 3hhw n GLY 239 Ca -0.18 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.90 3.35 0.78 1.61 -1.94 -1.12 -5.03 119.30 115.05 3hhw s MET 240 Ca 0.00 -0.78 -0.11 0.00 -1.71 0.00 0.00 55.69 53.09 3hhw s MET 240 Cb 0.00 -2.85 0.06 0.00 2.01 0.00 0.00 34.83 34.05 3hhw s MET 240 CO 0.00 0.44 1.08 -1.54 -0.01 0.00 0.00 175.02 175.00 3hhw s SER 241 N -3.80 4.64 0.18 3.03 1.04 -1.26 -4.69 113.70 112.84 3hhw s SER 241 Ca 0.34 1.49 -0.13 0.00 0.48 0.00 0.00 55.95 58.12 3hhw s SER 241 Cb -0.09 -2.25 0.17 0.00 0.10 0.00 0.00 66.02 63.95 3hhw s SER 241 CO 0.28 -1.90 1.72 0.71 0.98 0.00 0.00 173.24 175.03 3hhw h THR 242 N -1.04 0.74 -0.62 2.02 1.35 -1.98 -0.70 112.91 112.69 3hhw h THR 242 Ca -0.46 -0.08 0.04 0.00 -0.55 0.00 0.00 66.41 65.36 3hhw h THR 242 Cb 1.25 0.48 -0.04 0.00 -1.73 0.00 0.00 68.15 68.10 3hhw h THR 242 CO 0.57 0.04 0.37 -0.33 -0.25 0.00 0.00 175.52 175.92 3hhw h GLU 243 N 0.24 0.69 0.01 4.72 3.07 -2.00 -2.18 114.58 119.12 3hhw h GLU 243 Ca 0.24 -0.04 -0.19 0.00 -0.50 0.00 0.00 59.36 58.87 3hhw h GLU 243 Cb 0.31 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 3hhw h GLU 243 CO -0.31 0.46 -0.88 -0.44 -1.40 0.00 0.00 179.01 176.44 3hhw h ASP 244 N 0.71 0.14 0.13 1.42 3.32 -1.83 -3.08 116.42 117.23 3hhw h ASP 244 Ca 0.26 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.10 3hhw h ASP 244 Cb 0.08 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3hhw h ASP 244 CO -0.13 0.95 -0.32 0.58 -1.72 0.00 0.00 179.24 178.60 3hhw h VAL 245 N 0.05 1.27 -0.95 -1.35 2.07 -0.98 -2.80 116.25 113.57 3hhw h VAL 245 Ca -0.03 -1.31 0.04 0.00 0.82 0.00 0.00 66.70 66.21 3hhw h VAL 245 Cb 1.52 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 32.76 3hhw h VAL 245 CO 0.13 0.40 0.62 0.74 0.02 0.00 0.00 177.57 179.48 3hhw h THR 246 N 0.25 1.16 0.00 2.57 2.02 -1.31 -2.66 112.91 114.94 3hhw h THR 246 Ca 0.03 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.81 3hhw h THR 246 Cb 0.69 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3hhw h THR 246 CO 0.05 0.22 0.00 0.35 0.37 0.00 0.00 175.52 176.51 3hhw n THR 247 N -4.44 0.57 0.50 3.16 -2.24 -1.06 -2.23 114.28 108.53 3hhw n THR 247 Ca 0.13 0.07 0.09 0.00 -2.27 0.00 0.00 64.05 62.07 3hhw n THR 247 Cb 0.11 -0.79 0.25 0.00 -2.10 0.00 0.00 70.33 67.80 3hhw n THR 247 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 3hhw n TRP 248 N -1.77 0.58 -2.36 4.78 7.02 -1.00 -4.83 117.44 119.86 3hhw n TRP 248 Ca 0.05 -0.29 -0.43 0.00 -1.02 0.00 0.00 57.50 55.81 3hhw n TRP 248 Cb 0.28 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.15 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 -1.42 4.13 -0.18 -0.99 1.01 -0.95 -4.89 121.20 117.90 3hhw s ILE 249 Ca 0.35 1.32 0.04 0.00 0.00 0.00 0.00 60.65 62.37 3hhw s ILE 249 Cb 0.19 -3.99 0.10 0.00 0.01 0.00 0.00 42.46 38.77 3hhw s ILE 249 CO 0.26 -0.27 1.07 0.18 0.00 0.00 0.00 174.94 176.18 3hhw n LEU 250 N 7.19 2.25 -4.10 2.97 4.77 -1.26 -5.00 117.00 123.83 3hhw n LEU 250 Ca 0.15 -2.15 -0.25 0.00 -0.03 0.00 0.00 56.01 53.73 3hhw n LEU 250 Cb 0.45 -0.10 -0.16 0.00 -2.33 0.00 0.00 43.42 41.28 3hhw n LEU 250 CO 0.60 0.57 -0.49 0.20 -1.33 0.00 0.00 177.39 176.94 3hhw s ASN 251 N -1.23 1.95 0.24 -1.43 0.01 -1.26 -5.04 114.94 108.17 3hhw s ASN 251 Ca 0.09 -0.32 -0.07 0.00 -0.71 0.00 0.00 52.86 51.84 3hhw s ASN 251 Cb 0.06 -0.60 0.23 0.00 0.41 0.00 0.00 41.25 41.34 3hhw s ASN 251 CO 0.03 0.12 1.91 -0.09 -1.51 0.00 0.00 177.10 177.56 3hhw h ARG 252 N 6.40 1.20 -0.65 -0.60 9.65 -1.99 -1.54 114.38 126.85 3hhw h ARG 252 Ca -0.32 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.46 3hhw h ARG 252 Cb 1.18 -0.27 -0.03 0.00 -1.39 0.00 0.00 29.97 29.45 3hhw h ARG 252 CO 0.48 0.79 0.31 0.93 2.80 0.00 0.00 179.97 185.28 3hhw h GLU 253 N 1.24 0.92 -0.41 0.20 4.39 -2.00 -1.24 114.58 117.69 3hhw h GLU 253 Ca 0.34 -0.12 -0.14 0.00 0.34 0.00 0.00 59.36 59.77 3hhw h GLU 253 Cb -0.14 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.33 3hhw h GLU 253 CO -0.08 0.72 -0.31 0.28 -1.16 0.00 0.00 179.01 178.46 3hhw h VAL 254 N 0.92 1.27 -0.45 3.13 2.07 -1.76 -2.54 116.25 118.90 3hhw h VAL 254 Ca 0.23 -1.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.22 3hhw h VAL 254 Cb 0.10 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3hhw h VAL 254 CO -0.03 0.50 0.10 0.00 0.02 0.00 0.00 177.57 178.16 3hhw h ALA 255 N 0.87 0.59 -0.74 1.67 0.00 -0.86 -0.23 119.26 120.56 3hhw h ALA 255 Ca 0.08 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3hhw h ALA 255 Cb 0.89 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3hhw h ALA 255 CO 0.08 0.28 0.48 -0.44 0.00 0.00 0.00 179.25 179.65 3hhw h ASP 256 N 0.59 0.82 -0.44 0.00 3.32 -1.24 -1.54 116.42 117.94 3hhw h ASP 256 Ca 0.14 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 3hhw h ASP 256 Cb 0.33 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3hhw h ASP 256 CO 0.00 0.59 0.08 -0.33 -1.72 0.00 0.00 179.24 177.86 3hhw h GLU 257 N 0.97 0.72 -0.63 3.56 5.08 -1.20 -1.74 114.58 121.34 3hhw h GLU 257 Ca 0.28 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3hhw h GLU 257 Cb -0.07 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 3hhw h GLU 257 CO -0.07 0.74 0.42 1.98 -1.00 0.00 0.00 179.01 181.07 3hhw h MET 258 N 0.58 0.82 -0.68 2.33 4.05 -0.80 -1.16 114.93 120.07 3hhw h MET 258 Ca 0.13 -0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.52 3hhw h MET 258 Cb 0.36 -0.19 -0.04 0.00 -0.80 0.00 0.00 31.60 30.93 3hhw h MET 258 CO 0.01 0.54 0.44 0.28 0.23 0.00 0.00 176.91 178.41 3hhw h VAL 259 N 0.85 1.13 -0.30 -5.77 2.07 -1.16 -1.82 116.25 111.24 3hhw h VAL 259 Ca 0.24 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.49 3hhw h VAL 259 Cb -0.08 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 29.84 3hhw h VAL 259 CO -0.06 0.16 0.12 -0.61 0.02 0.00 0.00 177.57 177.20 3hhw h GLN 260 N 0.87 0.25 -0.16 1.57 4.15 -0.82 -2.90 115.11 118.08 3hhw h GLN 260 Ca 0.26 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.60 3hhw h GLN 260 Cb -0.04 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 3hhw h GLN 260 CO -0.08 0.17 -0.19 0.52 -1.93 0.00 0.00 178.83 177.31 3hhw h MET 261 N 0.26 0.27 -0.87 1.69 2.86 -0.93 -3.22 114.93 114.99 3hhw h MET 261 Ca 0.13 -0.08 -0.37 0.00 -2.06 0.00 0.00 59.70 57.33 3hhw h MET 261 Cb 0.09 -0.03 -0.22 0.00 0.06 0.00 0.00 31.60 31.50 3hhw h MET 261 CO -0.12 0.47 0.46 -1.33 1.06 0.00 0.00 176.91 177.44 3hhw n MET 262 N -4.21 2.98 -1.90 1.72 2.81 -0.71 -4.97 117.12 112.83 3hhw n MET 262 Ca -0.01 -3.06 -0.42 0.00 -1.81 0.00 0.00 57.70 52.40 3hhw n MET 262 Cb 0.32 -2.20 -0.03 0.00 -0.71 0.00 0.00 33.22 30.61 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 -3.16 4.37 0.41 4.03 2.96 -1.20 -4.94 118.68 121.16 3hhw s LEU 263 Ca 0.56 2.48 -0.26 0.00 -0.22 0.00 0.00 54.13 56.70 3hhw s LEU 263 Cb 0.46 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 43.49 3hhw s LEU 263 CO 0.12 -0.91 1.27 -2.65 -1.32 0.00 0.00 176.35 172.86 3hhw n PRO 264 N 5.97 1.96 -0.96 0.98 -0.02 -1.26 -4.08 135.00 137.59 3hhw n PRO 264 Ca 0.16 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3hhw n PRO 264 Cb 0.41 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 3hhw n PRO 264 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hhw n GLY 265 N 0.80 1.21 0.34 -1.23 0.00 -1.26 -4.99 105.19 100.06 3hhw n GLY 265 Ca 0.06 -0.42 0.04 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.96 0.66 -2.22 1.61 1.13 -1.26 -4.62 117.38 111.73 3hhw n GLN 266 Ca 0.00 -1.15 -0.21 0.00 -1.94 0.00 0.00 57.00 53.70 3hhw n GLN 266 Cb 0.24 -1.16 -0.03 0.00 0.11 0.00 0.00 30.24 29.40 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 0.39 -1.59 -0.23 -1.09 1.02 -1.26 -4.81 120.64 113.06 3hhw n GLU 267 Ca 0.05 1.04 -0.03 0.00 -0.02 0.00 0.00 57.16 58.21 3hhw n GLU 267 Cb 0.23 -5.63 0.16 0.00 -0.02 0.00 0.00 31.44 26.18 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 0.00 1.23 0.00 -3.67 3.07 -1.96 -3.20 117.51 112.98 3hhw h ILE 268 Ca -0.47 -0.65 -0.15 0.00 1.55 0.00 0.00 64.86 65.14 3hhw h ILE 268 Cb 1.36 0.30 -0.02 0.00 -0.27 0.00 0.00 36.82 38.18 3hhw h ILE 268 CO 0.58 0.28 -1.04 -2.24 -1.05 0.00 0.00 178.15 174.68 3hhw h ASP 269 N 1.04 0.00 -4.09 2.16 2.03 -2.03 -3.46 116.42 112.06 3hhw h ASP 269 Ca 0.25 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 56.10 3hhw h ASP 269 Cb 0.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.61 3hhw h ASP 269 CO -0.03 0.57 0.36 -1.59 -1.03 0.00 0.00 179.24 177.52 3hhw s LYS 270 N -2.93 4.02 0.00 4.15 -2.85 -1.21 -5.04 119.74 115.88 3hhw s LYS 270 Ca -0.00 1.17 0.00 0.00 -1.00 0.00 0.00 55.97 56.14 3hhw s LYS 270 Cb 0.08 -2.14 0.00 0.00 -2.06 0.00 0.00 37.83 33.71 3hhw s LYS 270 CO 0.79 -0.22 0.09 0.00 0.10 0.00 0.00 175.35 176.11 3hhw n ALA 271 N -0.94 0.00 -2.12 0.59 0.00 -1.26 -4.62 120.51 112.16 3hhw n ALA 271 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.18 3hhw n ALA 271 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 3hhw n ALA 271 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hhw s ASP 272 N -1.52 5.37 0.14 0.00 1.01 -1.26 -4.90 116.67 115.50 3hhw s ASP 272 Ca 0.00 -0.30 -0.05 0.00 0.71 0.00 0.00 52.55 52.92 3hhw s ASP 272 Cb 0.00 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 3hhw s ASP 272 CO 0.00 -2.44 0.15 -0.55 0.21 0.00 0.00 175.17 172.54 3hhw s SER 273 N 7.54 0.20 0.29 0.27 0.15 -1.26 -4.84 113.70 116.04 3hhw s SER 273 Ca 0.65 -1.03 0.15 0.00 0.70 0.00 0.00 55.95 56.41 3hhw s SER 273 Cb -0.09 0.35 0.29 0.00 -1.71 0.00 0.00 66.02 64.87 3hhw s SER 273 CO 0.09 -0.79 1.55 1.88 1.20 0.00 0.00 173.24 177.17 3hhw h TYR 274 N 2.75 0.00 -0.47 3.44 0.05 -1.94 -3.39 116.97 117.41 3hhw h TYR 274 Ca -0.34 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.46 3hhw h TYR 274 Cb 1.21 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.92 3hhw h TYR 274 CO 0.42 0.53 0.31 0.00 -1.05 0.00 0.00 178.16 178.38 3hhw h MET 275 N 0.00 0.59 0.00 4.88 -0.00 -1.91 -1.71 114.93 116.78 3hhw h MET 275 Ca -0.01 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.66 3hhw h MET 275 Cb 1.23 -0.13 0.00 0.00 -0.00 0.00 0.00 31.60 32.69 3hhw h MET 275 CO 0.07 0.39 0.05 -1.35 -0.00 0.00 0.00 176.91 176.07 3hhw h PRO 276 N 0.61 0.00 -1.19 -0.10 0.11 -1.94 -2.36 132.00 127.13 3hhw h PRO 276 Ca 0.18 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.76 3hhw h PRO 276 Cb -0.03 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 30.66 3hhw h PRO 276 CO -0.04 0.00 -0.84 0.66 -0.21 0.00 0.00 178.00 177.57 3hhw n TYR 277 N -2.32 2.83 -0.12 0.65 4.01 -0.64 -0.91 117.16 120.65 3hhw n TYR 277 Ca -0.02 -2.78 -0.07 0.00 -0.16 0.00 0.00 57.90 54.87 3hhw n TYR 277 Cb 0.09 -0.20 0.01 0.00 -0.31 0.00 0.00 39.34 38.94 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 2.53 0.34 -0.02 7.72 8.10 -1.53 -1.56 115.31 130.89 3hhw h LEU 278 Ca 0.24 0.01 -0.16 0.00 0.11 0.00 0.00 57.88 58.08 3hhw h LEU 278 Cb 1.14 -0.06 0.01 0.00 -0.44 0.00 0.00 40.66 41.31 3hhw h LEU 278 CO 0.74 0.25 -0.63 0.40 -4.11 0.00 0.00 178.44 175.09 3hhw h ILE 279 N 0.44 1.40 -0.90 0.15 1.08 -1.89 0.21 117.51 118.00 3hhw h ILE 279 Ca 0.16 -2.04 0.06 0.00 -0.39 0.00 0.00 64.86 62.65 3hhw h ILE 279 Cb 0.03 2.49 -0.06 0.00 -3.07 0.00 0.00 36.82 36.21 3hhw h ILE 279 CO -0.09 0.60 0.57 0.44 -0.69 0.00 0.00 178.15 178.98 3hhw h ASP 280 N -0.00 0.90 1.76 1.72 3.32 -1.87 0.25 116.42 122.50 3hhw h ASP 280 Ca -0.07 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3hhw h ASP 280 Cb 1.32 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3hhw h ASP 280 CO 0.12 0.58 -0.02 -0.26 -1.72 0.00 0.00 179.24 177.94 3hhw h PHE 281 N 1.04 0.00 0.00 4.55 0.04 -1.37 -3.15 116.94 118.05 3hhw h PHE 281 Ca 0.39 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.16 3hhw h PHE 281 Cb 0.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.31 3hhw h PHE 281 CO -0.02 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.10 3hhw n GLY 282 N 1.19 0.47 0.21 -1.45 0.00 0.07 -4.93 105.19 100.76 3hhw n GLY 282 Ca 0.05 -0.88 0.05 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 -8.41 0.99 3.38 -0.83 -3.45 115.31 106.99 3hhw h LEU 283 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 3hhw h LEU 283 Cb 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.59 3hhw h LEU 283 CO 0.00 0.26 -0.70 -0.55 0.09 0.00 0.00 178.44 177.53 3hhw s SER 284 N -6.88 1.15 0.00 -0.43 0.15 -0.84 -4.60 113.70 102.25 3hhw s SER 284 Ca -0.03 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 55.68 3hhw s SER 284 Cb 0.15 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 3hhw s SER 284 CO 0.70 -0.41 0.15 -1.20 1.20 0.00 0.00 173.24 173.67 3hhw n SER 285 N 0.19 0.29 -3.34 5.45 7.64 -1.26 -4.35 113.62 118.23 3hhw n SER 285 Ca -0.14 -0.62 -0.15 0.00 1.01 0.00 0.00 58.87 58.98 3hhw n SER 285 Cb 0.60 0.48 -0.07 0.00 -1.01 0.00 0.00 64.21 64.21 3hhw n SER 285 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3hhw s LYS 286 N -0.48 0.63 0.07 1.43 2.47 -1.26 -5.03 119.74 117.57 3hhw s LYS 286 Ca 0.00 -0.72 -0.31 0.00 -1.56 0.00 0.00 55.97 53.39 3hhw s LYS 286 Cb 0.00 -0.62 -0.06 0.00 -1.46 0.00 0.00 37.83 35.69 3hhw s LYS 286 CO 0.00 -1.18 1.20 0.45 0.16 0.00 0.00 175.35 175.98 3hhw s SER 287 N 1.57 7.09 0.00 1.43 0.15 -1.26 0.60 113.70 123.27 3hhw s SER 287 Ca 0.16 2.03 0.13 0.00 0.70 0.00 0.00 55.95 58.98 3hhw s SER 287 Cb -0.14 -2.58 0.60 0.00 -1.71 0.00 0.00 66.02 62.19 3hhw s SER 287 CO -0.07 -0.45 1.41 -2.65 1.20 0.00 0.00 173.24 172.68 3hhw n PRO 288 N 3.77 0.05 -0.20 5.44 -0.02 -1.26 -3.03 135.00 139.75 3hhw n PRO 288 Ca 0.08 0.24 0.06 0.00 -2.02 0.00 0.00 63.50 61.86 3hhw n PRO 288 Cb 0.46 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.59 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 -1.45 0.48 -2.20 6.00 4.01 -1.26 -4.66 117.16 118.07 3hhw n TYR 289 Ca 0.04 -0.58 -0.34 0.00 -0.16 0.00 0.00 57.90 56.86 3hhw n TYR 289 Cb 0.14 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 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 -1.38 2.79 -2.11 -0.72 0.51 -1.17 -1.21 118.94 115.66 3hhw s TRP 290 Ca 0.24 1.55 0.15 0.00 -2.12 0.00 0.00 56.10 55.91 3hhw s TRP 290 Cb 0.15 -3.17 0.53 0.00 -0.81 0.00 0.00 33.47 30.17 3hhw s TRP 290 CO 0.12 -1.34 1.39 -1.13 -0.51 0.00 0.00 176.95 175.48 3hhw n SER 291 N -1.54 1.46 0.02 2.95 3.41 -1.26 -3.06 113.62 115.60 3hhw n SER 291 Ca 0.10 -1.83 0.11 0.00 -0.26 0.00 0.00 58.87 56.99 3hhw n SER 291 Cb 0.52 -0.14 -0.11 0.00 -0.26 0.00 0.00 64.21 64.22 3hhw n SER 291 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3hhw n VAL 292 N 0.24 0.13 1.12 -3.33 0.24 -1.26 -4.00 118.33 111.46 3hhw n VAL 292 Ca 0.13 -0.41 0.12 0.00 -2.04 0.00 0.00 64.34 62.14 3hhw n VAL 292 Cb 0.26 0.09 0.19 0.00 -1.47 0.00 0.00 33.84 32.91 3hhw n VAL 292 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3hhw n LYS 293 N -2.19 0.85 -3.09 7.34 4.76 -1.17 -4.22 118.16 120.43 3hhw n LYS 293 Ca -0.02 -0.60 -0.23 0.00 -2.87 0.00 0.00 58.31 54.59 3hhw n LYS 293 Cb 0.52 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 32.18 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 -0.55 2.54 -0.10 4.39 4.13 -1.17 -4.98 115.26 119.52 3hhw n ASN 294 Ca 0.10 -3.31 -0.12 0.00 1.68 0.00 0.00 54.58 52.93 3hhw n ASN 294 Cb 0.39 -0.60 -0.04 0.00 -1.54 0.00 0.00 39.78 37.99 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 3.11 0.58 -0.16 3.52 0.11 -1.73 -1.06 132.00 136.38 3hhw h PRO 295 Ca 0.12 -0.24 -0.02 0.00 0.11 0.00 0.00 66.00 65.96 3hhw h PRO 295 Cb 0.74 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 3hhw h PRO 295 CO 0.65 0.80 0.01 0.00 -0.21 0.00 0.00 178.00 179.26 3hhw h ALA 296 N 0.76 0.22 -0.82 -0.75 0.00 -1.91 -0.81 119.26 115.95 3hhw h ALA 296 Ca 0.07 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hhw h ALA 296 Cb 0.61 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3hhw h ALA 296 CO 0.04 -0.10 0.51 0.35 0.00 0.00 0.00 179.25 180.04 3hhw h PHE 297 N 0.04 1.06 0.01 0.00 3.57 -1.86 -0.85 116.94 118.92 3hhw h PHE 297 Ca 0.05 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.57 3hhw h PHE 297 Cb 0.34 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 3hhw h PHE 297 CO 0.03 0.70 -0.08 1.25 -2.23 0.00 0.00 178.31 177.97 3hhw h HIS 298 N 1.12 -0.21 0.22 0.41 2.76 -1.03 0.19 115.15 118.61 3hhw h HIS 298 Ca 0.30 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.46 3hhw h HIS 298 Cb -0.07 0.09 0.00 0.00 1.55 0.00 0.00 27.41 28.99 3hhw h HIS 298 CO -0.01 -0.13 -0.11 0.35 -1.30 0.00 0.00 177.93 176.73 3hhw h PHE 299 N -0.15 -0.28 -0.27 5.26 3.57 -0.95 -1.86 116.94 122.26 3hhw h PHE 299 Ca 0.03 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3hhw h PHE 299 Cb 0.19 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 3hhw h PHE 299 CO -0.15 -0.16 0.03 2.35 -2.23 0.00 0.00 178.31 178.15 3hhw h TRP 300 N -0.31 0.40 0.08 0.41 7.01 -1.09 -1.91 115.95 120.53 3hhw h TRP 300 Ca -0.03 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 60.94 3hhw h TRP 300 Cb 0.24 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.18 3hhw h TRP 300 CO -0.06 0.39 -0.04 0.78 -2.79 0.00 0.00 178.44 176.72 3hhw h GLY 301 N 0.67 -0.12 0.87 2.65 0.00 -0.45 -2.95 103.07 103.75 3hhw h GLY 301 Ca 0.09 0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.39 3hhw h GLY 301 CO 0.00 -0.04 -0.15 1.46 0.00 0.00 0.00 176.54 177.81 3hhw h GLN 302 N -0.59 0.55 -0.22 4.80 1.08 -1.26 -1.89 115.11 117.58 3hhw h GLN 302 Ca -0.01 -0.25 0.04 0.00 -1.45 0.00 0.00 58.65 56.97 3hhw h GLN 302 Cb 0.49 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.88 3hhw h GLN 302 CO 0.02 0.82 0.01 1.25 -0.95 0.00 0.00 178.83 179.98 3hhw h LEU 303 N 0.28 -0.07 -0.62 1.46 5.85 -1.47 0.42 115.31 121.17 3hhw h LEU 303 Ca 0.05 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.83 3hhw h LEU 303 Cb 0.67 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 3hhw h LEU 303 CO 0.04 -0.00 0.40 0.74 -0.34 0.00 0.00 178.44 179.28 3hhw h THR 304 N 0.08 1.14 -0.83 1.05 2.02 -1.51 -1.08 112.91 113.78 3hhw h THR 304 Ca 0.10 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 3hhw h THR 304 Cb 0.13 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 66.75 3hhw h THR 304 CO -0.17 0.15 0.42 0.00 0.37 0.00 0.00 175.52 176.29 3hhw h ALA 305 N 1.23 1.07 -0.47 6.16 0.00 -0.70 -2.24 119.26 124.31 3hhw h ALA 305 Ca 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3hhw h ALA 305 Cb -0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 3hhw h ALA 305 CO -0.06 0.61 0.24 1.25 0.00 0.00 0.00 179.25 181.29 3hhw h LEU 306 N 1.17 0.60 -1.58 0.00 5.85 0.34 -0.62 115.31 121.07 3hhw h LEU 306 Ca 0.29 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3hhw h LEU 306 Cb 0.08 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.96 3hhw h LEU 306 CO -0.04 0.54 0.00 -0.07 -0.34 0.00 0.00 178.44 178.53 3hhw h LEU 307 N 0.61 0.00 -3.63 2.25 3.38 -1.03 -1.19 115.31 115.71 3hhw h LEU 307 Ca 0.16 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 3hhw h LEU 307 Cb 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 3hhw h LEU 307 CO -0.02 0.00 0.12 0.18 0.09 0.00 0.00 178.44 178.81 3hhw n LEU 308 N -2.71 5.78 -0.24 1.67 4.77 -0.77 -4.91 117.00 120.58 3hhw n LEU 308 Ca -0.00 -3.09 -0.03 0.00 -0.03 0.00 0.00 56.01 52.86 3hhw n LEU 308 Cb 0.19 -0.71 -0.01 0.00 -2.33 0.00 0.00 43.42 40.57 3hhw n LEU 308 CO 0.21 0.73 -0.03 0.54 -1.33 0.00 0.00 177.39 177.50 3hhw n ARG 309 N 0.16 -0.19 -1.76 3.23 5.12 -0.45 -5.01 116.66 117.76 3hhw n ARG 309 Ca 0.34 0.35 -0.41 0.00 -1.93 0.00 0.00 57.85 56.19 3hhw n ARG 309 Cb 1.27 -3.98 -0.01 0.00 -1.16 0.00 0.00 32.46 28.58 3hhw n ARG 309 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3hhw s SER 310 N -2.93 6.34 0.00 0.55 0.15 -0.31 -4.91 113.70 112.60 3hhw s SER 310 Ca 0.00 3.00 0.26 0.00 0.70 0.00 0.00 55.95 59.91 3hhw s SER 310 Cb 0.00 -2.64 0.76 0.00 -1.71 0.00 0.00 66.02 62.43 3hhw s SER 310 CO 0.00 -0.92 1.60 0.35 1.20 0.00 0.00 173.24 175.46 3hhw n THR 311 N 1.77 0.01 0.17 6.45 -2.24 -1.26 -4.08 114.28 115.11 3hhw n THR 311 Ca 0.07 -0.01 0.03 0.00 -2.27 0.00 0.00 64.05 61.86 3hhw n THR 311 Cb 0.38 -0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 3hhw n THR 311 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3hhw n ARG 312 N -1.52 3.63 0.24 -0.78 1.85 -1.26 -4.65 116.66 114.17 3hhw n ARG 312 Ca 0.06 -0.02 0.14 0.00 -1.00 0.00 0.00 57.85 57.03 3hhw n ARG 312 Cb 0.34 -0.87 0.47 0.00 -1.05 0.00 0.00 32.46 31.35 3hhw n ARG 312 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3hhw h ALA 313 N 0.69 0.99 -0.38 2.89 0.00 -1.90 -3.30 119.26 118.25 3hhw h ALA 313 Ca 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.92 3hhw h ALA 313 Cb 0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3hhw h ALA 313 CO 0.00 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.34 3hhw h ARG 314 N 0.00 0.10 -0.63 0.00 3.08 -1.82 -2.67 114.38 112.44 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 0.73 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3hhw h ARG 314 CO 0.01 0.07 0.00 0.09 -1.07 0.00 0.00 179.97 179.07 3hhw n ASN 315 N -5.19 3.95 -4.79 7.04 3.02 -1.24 -1.58 115.26 116.47 3hhw n ASN 315 Ca 0.02 -2.38 -0.32 0.00 -0.03 0.00 0.00 54.58 51.86 3hhw n ASN 315 Cb 0.20 -0.52 0.04 0.00 -0.61 0.00 0.00 39.78 38.88 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 -1.83 2.58 0.03 5.41 0.00 -1.01 -4.88 121.76 122.06 3hhw s ALA 316 Ca 0.41 0.41 -0.30 0.00 0.00 0.00 0.00 51.96 52.47 3hhw s ALA 316 Cb 0.27 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 20.08 3hhw s ALA 316 CO 0.19 -1.13 1.19 1.03 0.00 0.00 0.00 175.76 177.04 3hhw s ARG 317 N -4.27 4.42 -0.42 0.00 1.81 -1.26 -1.45 118.95 117.79 3hhw s ARG 317 Ca 0.64 1.72 -0.25 0.00 -1.72 0.00 0.00 55.73 56.12 3hhw s ARG 317 Cb -0.18 -3.41 0.02 0.00 -0.45 0.00 0.00 34.95 30.93 3hhw s ARG 317 CO 0.42 -0.29 0.88 -1.14 -0.68 0.00 0.00 175.30 174.50 3hhw s GLN 318 N 1.35 3.64 0.61 3.54 0.74 -0.62 -4.62 119.66 124.30 3hhw s GLN 318 Ca 0.58 0.27 -0.16 0.00 0.05 0.00 0.00 55.36 56.10 3hhw s GLN 318 Cb -0.28 -3.87 -0.03 0.00 1.10 0.00 0.00 33.01 29.93 3hhw s GLN 318 CO 0.27 -1.07 1.08 -2.14 -0.55 0.00 0.00 175.29 172.89 3hhw s PRO 319 N 3.51 3.16 0.64 1.67 0.02 -1.26 -4.90 135.00 137.84 3hhw s PRO 319 Ca 0.35 1.33 -0.08 0.00 0.02 0.00 0.00 61.00 62.62 3hhw s PRO 319 Cb -0.11 -2.00 0.01 0.00 0.02 0.00 0.00 34.50 32.42 3hhw s PRO 319 CO 0.22 -0.96 0.99 -0.51 -0.33 0.00 0.00 177.00 176.41 3hhw s ASP 320 N -2.55 5.51 -1.38 2.53 1.01 -1.26 -4.66 116.67 115.87 3hhw s ASP 320 Ca 0.66 0.89 -0.01 0.00 0.71 0.00 0.00 52.55 54.80 3hhw s ASP 320 Cb -0.19 -1.79 0.01 0.00 1.01 0.00 0.00 42.92 41.96 3hhw s ASP 320 CO 0.37 -1.19 0.56 0.47 0.21 0.00 0.00 175.17 175.58 3hhw n ASP 321 N -2.78 -0.88 -4.43 0.27 9.92 -1.26 -4.99 116.55 112.40 3hhw n ASP 321 Ca 0.06 -0.92 -0.21 0.00 -0.53 0.00 0.00 54.79 53.18 3hhw n ASP 321 Cb 0.57 -3.48 -0.10 0.00 -0.64 0.00 0.00 41.12 37.47 3hhw n ASP 321 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3hhw s ILE 322 N -3.80 1.33 -1.34 0.53 -4.36 -1.26 -5.05 121.20 107.24 3hhw s ILE 322 Ca 0.05 -2.04 -0.12 0.00 -0.26 0.00 0.00 60.65 58.28 3hhw s ILE 322 Cb -0.02 -2.64 0.12 0.00 1.25 0.00 0.00 42.46 41.16 3hhw s ILE 322 CO 0.86 -0.14 1.97 1.21 0.24 0.00 0.00 174.94 179.08 3hhw n GLU 323 N -0.63 3.31 -0.08 0.37 2.13 -1.26 -4.85 120.64 119.62 3hhw n GLU 323 Ca -0.04 -3.20 -0.11 0.00 0.66 0.00 0.00 57.16 54.47 3hhw n GLU 323 Cb 0.65 -3.09 -0.08 0.00 0.27 0.00 0.00 31.44 29.19 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 6.03 -1.29 -0.41 4.31 0.05 -1.98 -2.31 116.97 121.37 3hhw h TYR 324 Ca 0.46 0.06 0.08 0.00 0.05 0.00 0.00 58.73 59.37 3hhw h TYR 324 Cb 0.66 0.60 -0.09 0.00 1.01 0.00 0.00 36.73 38.91 3hhw h TYR 324 CO 1.33 -0.39 -0.38 1.79 -1.05 0.00 0.00 178.16 179.46 3hhw h THR 325 N -0.34 0.16 -0.02 -2.88 1.35 -1.99 0.28 112.91 109.47 3hhw h THR 325 Ca 0.05 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.81 3hhw h THR 325 Cb 0.47 0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.04 3hhw h THR 325 CO -0.43 0.00 -0.44 0.28 -0.25 0.00 0.00 175.52 174.68 3hhw h SER 326 N -0.29 0.04 0.21 5.36 0.02 -1.98 -1.90 113.55 115.01 3hhw h SER 326 Ca 0.16 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.98 3hhw h SER 326 Cb 0.57 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 3hhw h SER 326 CO -0.57 0.48 -0.42 -0.07 -1.14 0.00 0.00 176.83 175.11 3hhw h LEU 327 N 0.03 0.29 -0.15 5.07 3.38 -0.50 -2.27 115.31 121.16 3hhw h LEU 327 Ca -0.00 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 3hhw h LEU 327 Cb 0.79 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 3hhw h LEU 327 CO 0.06 0.68 -0.18 0.74 0.09 0.00 0.00 178.44 179.82 3hhw h THR 328 N 0.23 1.35 -0.52 0.22 2.02 0.07 -1.48 112.91 114.79 3hhw h THR 328 Ca 0.02 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.82 3hhw h THR 328 Cb 0.84 1.90 -0.03 0.00 -1.74 0.00 0.00 68.15 69.12 3hhw h THR 328 CO 0.07 0.41 0.33 0.74 0.37 0.00 0.00 175.52 177.43 3hhw h THR 329 N 0.02 1.15 -0.61 3.16 2.02 -1.37 0.17 112.91 117.46 3hhw h THR 329 Ca 0.02 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3hhw h THR 329 Cb 0.74 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 3hhw h THR 329 CO 0.04 0.15 0.39 0.00 0.37 0.00 0.00 175.52 176.48 3hhw h ALA 330 N 1.17 0.77 -0.12 6.16 0.00 -1.41 -0.50 119.26 125.33 3hhw h ALA 330 Ca 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3hhw h ALA 330 Cb -0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3hhw h ALA 330 CO -0.04 0.22 0.03 0.78 0.00 0.00 0.00 179.25 180.24 3hhw h GLY 331 N 0.82 0.21 0.72 0.00 0.00 -1.00 -2.29 103.07 101.53 3hhw h GLY 331 Ca 0.22 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.47 3hhw h GLY 331 CO -0.05 0.12 0.30 -2.00 0.00 0.00 0.00 176.54 174.91 3hhw h LEU 332 N 0.00 0.43 0.03 3.11 5.85 -0.49 0.01 115.31 124.25 3hhw h LEU 332 Ca 0.04 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3hhw h LEU 332 Cb 0.25 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3hhw h LEU 332 CO 0.00 0.29 -0.01 0.25 -0.34 0.00 0.00 178.44 178.63 3hhw h LEU 333 N 0.57 -0.03 0.15 2.25 5.85 -1.07 0.57 115.31 123.59 3hhw h LEU 333 Ca 0.25 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.97 3hhw h LEU 333 Cb 0.14 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3hhw h LEU 333 CO -0.16 -0.02 -0.18 0.22 -0.34 0.00 0.00 178.44 177.96 3hhw h TYR 334 N -0.04 -0.48 -0.84 1.25 3.20 -1.16 -0.27 116.97 118.63 3hhw h TYR 334 Ca -0.00 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.93 3hhw h TYR 334 Cb 0.03 0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.44 3hhw h TYR 334 CO -0.08 -0.27 0.52 0.00 -1.64 0.00 0.00 178.16 176.69 3hhw h ALA 335 N 0.41 1.16 -0.45 1.82 0.00 -0.93 -1.96 119.26 119.32 3hhw h ALA 335 Ca 0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3hhw h ALA 335 Cb 0.37 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3hhw h ALA 335 CO -0.07 0.26 -0.04 -0.92 0.00 0.00 0.00 179.25 178.49 3hhw h TYR 336 N 0.95 0.89 -0.25 0.00 3.20 -0.53 0.05 116.97 121.27 3hhw h TYR 336 Ca 0.37 -0.17 0.02 0.00 3.14 0.00 0.00 58.73 62.09 3hhw h TYR 336 Cb 0.17 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 3hhw h TYR 336 CO -0.04 0.88 0.13 0.00 -1.64 0.00 0.00 178.16 177.49 3hhw h ALA 337 N 0.89 0.30 0.10 1.82 0.00 -0.70 -1.76 119.26 119.91 3hhw h ALA 337 Ca 0.12 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hhw h ALA 337 Cb 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3hhw h ALA 337 CO 0.03 -0.27 -0.05 0.28 0.00 0.00 0.00 179.25 179.24 3hhw h VAL 338 N 0.27 0.99 0.00 0.00 2.07 -1.24 -2.85 116.25 115.50 3hhw h VAL 338 Ca 0.10 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3hhw h VAL 338 Cb 0.03 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3hhw h VAL 338 CO -0.07 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.21 3hhw n GLY 339 N -0.75 -1.43 0.19 2.17 0.00 -0.01 -2.69 105.19 102.68 3hhw n GLY 339 Ca -0.08 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 45.94 3hhw n GLY 339 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hhw n SER 340 N -1.64 1.20 -3.58 1.61 3.41 -0.67 -4.74 113.62 109.22 3hhw n SER 340 Ca 0.06 -1.10 -0.27 0.00 -0.26 0.00 0.00 58.87 57.30 3hhw n SER 340 Cb 0.32 0.72 -0.10 0.00 -0.26 0.00 0.00 64.21 64.88 3hhw n SER 340 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3hhw n SER 341 N -0.70 2.20 -4.59 4.04 7.64 -1.08 -5.01 113.62 116.13 3hhw n SER 341 Ca 0.05 -3.05 -0.43 0.00 1.01 0.00 0.00 58.87 56.45 3hhw n SER 341 Cb 0.29 -0.68 -0.02 0.00 -1.01 0.00 0.00 64.21 62.79 3hhw n SER 341 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hhw s ALA 342 N -1.43 3.10 -1.34 -0.43 0.00 -1.26 -4.83 121.76 115.57 3hhw s ALA 342 Ca 0.32 -0.59 -0.11 0.00 0.00 0.00 0.00 51.96 51.58 3hhw s ALA 342 Cb 0.05 -3.95 -0.06 0.00 0.00 0.00 0.00 23.12 19.17 3hhw s ALA 342 CO -0.12 -2.40 2.50 -0.25 0.00 0.00 0.00 175.76 175.49 3hhw n ASP 343 N 8.07 6.21 -4.70 0.00 8.00 -1.26 -4.91 116.55 127.96 3hhw n ASP 343 Ca 0.11 -2.58 -0.42 0.00 0.71 0.00 0.00 54.79 52.61 3hhw n ASP 343 Cb 0.49 -1.43 -0.03 0.00 -0.02 0.00 0.00 41.12 40.13 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 0.68 4.35 -0.04 0.64 1.02 -1.26 -5.01 118.68 119.06 3hhw s LEU 344 Ca 0.57 2.32 -0.08 0.00 0.02 0.00 0.00 54.13 56.96 3hhw s LEU 344 Cb 0.15 -3.57 0.01 0.00 0.02 0.00 0.00 46.19 42.80 3hhw s LEU 344 CO -0.04 -0.77 0.20 0.00 0.02 0.00 0.00 176.35 175.76 3hhw s ALA 345 N 2.13 -0.49 0.32 4.21 0.00 -1.26 -5.14 121.76 121.52 3hhw s ALA 345 Ca 0.68 0.30 -0.29 0.00 0.00 0.00 0.00 51.96 52.64 3hhw s ALA 345 Cb -0.36 -0.13 -0.11 0.00 0.00 0.00 0.00 23.12 22.52 3hhw s ALA 345 CO 0.30 -0.16 1.55 -1.14 0.00 0.00 0.00 175.76 176.31 3hhw s GLN 346 N -0.63 4.13 -0.05 0.00 0.74 -1.26 -4.92 119.66 117.66 3hhw s GLN 346 Ca -0.07 2.56 0.06 0.00 0.05 0.00 0.00 55.36 57.96 3hhw s GLN 346 Cb -0.04 -3.01 -0.08 0.00 1.10 0.00 0.00 33.01 30.98 3hhw s GLN 346 CO 0.01 -0.59 0.04 1.04 -0.55 0.00 0.00 175.29 175.25 3hhw n GLN 347 N 1.67 2.49 -4.11 1.67 1.13 -1.26 -5.05 117.38 113.93 3hhw n GLN 347 Ca 0.06 -0.01 -0.13 0.00 -1.94 0.00 0.00 57.00 54.98 3hhw n GLN 347 Cb 0.38 -1.16 -0.11 0.00 0.11 0.00 0.00 30.24 29.46 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 -2.21 0.79 0.15 1.08 0.08 -1.26 -5.17 117.98 111.44 3hhw s PHE 348 Ca -0.03 -0.63 -0.10 0.00 0.12 0.00 0.00 56.93 56.29 3hhw s PHE 348 Cb 0.02 -0.46 -0.00 0.00 -0.57 0.00 0.00 43.02 42.01 3hhw s PHE 348 CO 0.26 -0.09 0.30 0.00 -0.10 0.00 0.00 175.22 175.58 3hhw n VAL 350 N -0.20 1.90 0.00 0.00 0.24 -1.26 -4.95 118.33 114.06 3hhw n VAL 350 Ca -0.10 -2.77 0.00 0.00 -2.04 0.00 0.00 64.34 59.43 3hhw n VAL 350 Cb 0.63 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 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 -1.02 3.27 3.66 7.63 0.00 -1.26 -5.12 105.19 112.35 3hhw n GLY 351 Ca 0.17 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 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 4.81 0.20 1.61 3.84 -1.26 -5.14 116.67 120.74 3hhw s ASP 352 Ca 0.00 -0.31 -0.11 0.00 -0.00 0.00 0.00 52.55 52.13 3hhw s ASP 352 Cb 0.00 -1.06 -0.00 0.00 -1.38 0.00 0.00 42.92 40.48 3hhw s ASP 352 CO 0.00 0.14 0.39 0.54 -0.00 0.00 0.00 175.17 176.23 3hhw s ASN 353 N -2.59 -0.05 -0.01 2.11 4.22 -1.26 -4.80 114.94 112.56 3hhw s ASN 353 Ca 0.26 -0.86 -0.15 0.00 -2.14 0.00 0.00 52.86 49.97 3hhw s ASN 353 Cb -0.10 0.51 -0.06 0.00 1.28 0.00 0.00 41.25 42.88 3hhw s ASN 353 CO 0.18 -1.01 0.40 -0.75 -2.04 0.00 0.00 177.10 173.88 3hhw s LYS 354 N -3.98 3.95 -0.04 3.55 2.20 -1.26 -5.08 119.74 119.07 3hhw s LYS 354 Ca 0.19 0.39 -0.01 0.00 -0.36 0.00 0.00 55.97 56.18 3hhw s LYS 354 Cb 0.01 -3.24 0.03 0.00 -1.51 0.00 0.00 37.83 33.13 3hhw s LYS 354 CO 0.04 0.64 0.08 1.52 -0.36 0.00 0.00 175.35 177.27 3hhw s TYR 355 N -0.92 -0.05 -0.39 4.03 -0.85 -1.26 -4.91 117.35 113.00 3hhw s TYR 355 Ca 0.23 0.31 0.11 0.00 -0.52 0.00 0.00 57.07 57.21 3hhw s TYR 355 Cb -0.16 -0.21 0.38 0.00 0.38 0.00 0.00 41.96 42.35 3hhw s TYR 355 CO 0.13 -0.14 1.02 -2.37 -1.52 0.00 0.00 175.55 172.67 3hhw n THR 356 N 4.38 0.21 -0.12 -3.49 5.66 -1.26 -5.00 114.28 114.66 3hhw n THR 356 Ca -0.24 -2.74 -0.06 0.00 -3.05 0.00 0.00 64.05 57.95 3hhw n THR 356 Cb 0.51 0.69 0.02 0.00 -1.55 0.00 0.00 70.33 69.99 3hhw n THR 356 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 3hhw h PRO 357 N 2.77 0.37 -2.63 1.09 0.11 -2.07 -3.40 132.00 128.24 3hhw h PRO 357 Ca -0.09 -0.02 -0.29 0.00 0.11 0.00 0.00 66.00 65.72 3hhw h PRO 357 Cb 1.13 -0.08 -0.35 0.00 0.11 0.00 0.00 31.00 31.81 3hhw h PRO 357 CO 0.28 0.24 -0.60 0.34 -0.21 0.00 0.00 178.00 178.05 3hhw s ASP 358 N -5.43 1.04 0.00 -2.05 3.68 -1.26 -4.94 116.67 107.71 3hhw s ASP 358 Ca -0.13 0.03 0.00 0.00 2.13 0.00 0.00 52.55 54.58 3hhw s ASP 358 Cb 0.12 0.47 0.00 0.00 -1.45 0.00 0.00 42.92 42.06 3hhw s ASP 358 CO 0.72 -0.30 0.07 0.47 0.13 0.00 0.00 175.17 176.25 3hhw n ASP 359 N 5.33 0.00 -4.65 -0.34 10.43 -1.26 -5.11 116.55 120.95 3hhw n ASP 359 Ca -0.05 -1.00 -0.43 0.00 2.57 0.00 0.00 54.79 55.88 3hhw n ASP 359 Cb 0.50 0.00 -0.02 0.00 1.84 0.00 0.00 41.12 43.44 3hhw n ASP 359 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3hhw s SER 360 N 0.00 6.93 -0.10 -2.24 0.01 -1.26 -5.03 113.70 112.01 3hhw s SER 360 Ca 0.00 1.32 -0.05 0.00 1.31 0.00 0.00 55.95 58.53 3hhw s SER 360 Cb 0.00 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 3hhw s SER 360 CO 0.00 -0.83 0.11 -0.89 0.41 0.00 0.00 173.24 172.03 3hhw s THR 361 N 3.63 5.19 0.00 1.44 2.01 -1.26 -5.11 115.64 121.53 3hhw s THR 361 Ca 0.49 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.54 3hhw s THR 361 Cb -0.16 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.09 3hhw s THR 361 CO 0.14 0.59 0.00 0.61 -0.69 0.00 0.00 174.62 175.27 3hhw n GLY 362 N 1.92 1.90 1.14 4.40 0.00 -1.26 -4.71 105.19 108.58 3hhw n GLY 362 Ca -0.19 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.87 3hhw n GLY 362 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hhw n GLY 363 N 5.00 0.05 3.98 -0.02 0.00 -1.26 -4.10 105.19 108.83 3hhw n GLY 363 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3hhw n GLY 363 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hhw n LEU 364 N -0.79 0.99 -0.57 0.99 7.94 -1.26 -4.78 117.00 119.53 3hhw n LEU 364 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3hhw n LEU 364 Cb 0.38 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 42.82 3hhw n LEU 364 CO 0.00 -0.51 0.21 0.41 -1.11 0.00 0.00 177.39 176.40 3hhw n THR 365 N -2.00 0.10 -3.20 1.96 -1.04 -1.26 -4.35 114.28 104.49 3hhw n THR 365 Ca 0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.81 3hhw n THR 365 Cb 0.01 -0.44 -0.07 0.00 -1.82 0.00 0.00 70.33 68.01 3hhw n THR 365 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3hhw s THR 366 N -0.83 -0.08 -0.19 12.58 -1.32 -1.26 -4.91 115.64 119.62 3hhw s THR 366 Ca 0.00 -2.12 -0.09 0.00 -1.21 0.00 0.00 61.69 58.27 3hhw s THR 366 Cb 0.00 -0.87 -0.21 0.00 -1.51 0.00 0.00 72.50 69.92 3hhw s THR 366 CO 0.00 -0.86 0.11 -3.20 -2.21 0.00 0.00 174.62 168.46 3hhw n ASN 367 N 2.91 2.02 -4.57 8.08 5.15 -1.26 -5.01 115.26 122.57 3hhw n ASN 367 Ca 0.26 0.20 -0.36 0.00 -0.60 0.00 0.00 54.58 54.07 3hhw n ASN 367 Cb 0.50 -0.78 0.08 0.00 -0.53 0.00 0.00 39.78 39.05 3hhw n ASN 367 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hhw n ALA 368 N -3.31 -0.52 -0.82 5.20 0.00 -1.26 -4.99 120.51 114.82 3hhw n ALA 368 Ca -0.38 -0.16 -0.33 0.00 0.00 0.00 0.00 53.44 52.56 3hhw n ALA 368 Cb 0.94 -2.04 0.11 0.00 0.00 0.00 0.00 19.45 18.45 3hhw n ALA 368 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hhw n PRO 369 N -1.39 -0.26 -1.84 0.00 -0.04 -1.26 -4.94 135.00 125.26 3hhw n PRO 369 Ca 0.12 -0.04 -0.35 0.00 -0.04 0.00 0.00 63.50 63.20 3hhw n PRO 369 Cb 0.49 -1.74 0.05 0.00 -0.04 0.00 0.00 33.50 32.26 3hhw n PRO 369 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3hhw s PRO 370 N -3.41 2.77 -0.29 0.54 0.02 -1.26 -4.99 135.00 128.38 3hhw s PRO 370 Ca 0.54 1.69 -0.16 0.00 0.02 0.00 0.00 61.00 63.08 3hhw s PRO 370 Cb -0.21 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.37 3hhw s PRO 370 CO 0.70 -1.33 0.45 -0.65 -0.33 0.00 0.00 177.00 175.83 3hhw s GLN 371 N -3.64 3.93 0.00 5.54 -0.21 -1.26 -4.93 119.66 119.09 3hhw s GLN 371 Ca 0.74 0.07 0.00 0.00 0.02 0.00 0.00 55.36 56.19 3hhw s GLN 371 Cb -0.27 -3.69 0.00 0.00 1.00 0.00 0.00 33.01 30.05 3hhw s GLN 371 CO 0.37 -0.39 0.00 0.41 -2.12 0.00 0.00 175.29 173.57 3hhw n GLY 372 N 4.63 0.41 2.15 3.09 0.00 -1.26 -4.90 105.19 109.30 3hhw n GLY 372 Ca -0.06 -2.28 -0.01 0.00 0.00 0.00 0.00 46.02 43.66 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 0.00 1.44 -2.75 1.61 1.74 -1.26 -4.84 116.66 112.60 3hhw n ARG 373 Ca 0.00 -3.12 -0.43 0.00 -0.77 0.00 0.00 57.85 53.53 3hhw n ARG 373 Cb 0.00 -1.21 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 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 -3.19 6.70 0.31 0.55 2.15 -1.26 -4.93 116.67 117.00 3hhw s ASP 374 Ca 0.33 0.60 0.01 0.00 0.43 0.00 0.00 52.55 53.92 3hhw s ASP 374 Cb 0.36 -2.49 0.54 0.00 -0.30 0.00 0.00 42.92 41.02 3hhw s ASP 374 CO -0.07 -0.94 1.93 1.62 -0.17 0.00 0.00 175.17 177.54 3hhw h VAL 375 N 5.89 1.10 -0.63 1.11 3.04 -1.96 -1.75 116.25 123.05 3hhw h VAL 375 Ca -0.23 -0.35 0.04 0.00 -1.01 0.00 0.00 66.70 65.16 3hhw h VAL 375 Cb 1.07 -0.00 -0.05 0.00 -2.01 0.00 0.00 31.29 30.30 3hhw h VAL 375 CO 1.02 0.19 0.37 0.58 -1.01 0.00 0.00 177.57 178.71 3hhw h VAL 376 N 1.01 1.03 -0.28 1.51 2.07 -1.93 0.28 116.25 119.93 3hhw h VAL 376 Ca 0.35 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 3hhw h VAL 376 Cb 0.12 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3hhw h VAL 376 CO -0.12 0.13 0.00 -0.33 0.02 0.00 0.00 177.57 177.27 3hhw h GLU 377 N 0.71 0.50 -0.39 1.57 5.08 -1.76 -2.13 114.58 118.16 3hhw h GLU 377 Ca 0.27 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 3hhw h GLU 377 Cb 0.09 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3hhw h GLU 377 CO -0.14 0.65 -0.15 -1.49 -1.00 0.00 0.00 179.01 176.89 3hhw h TRP 378 N 0.29 0.79 0.00 4.33 4.06 -1.03 0.25 115.95 124.64 3hhw h TRP 378 Ca 0.08 -0.15 -0.03 0.00 2.06 0.00 0.00 58.89 60.85 3hhw h TRP 378 Cb 0.42 -0.20 -0.00 0.00 -1.00 0.00 0.00 29.16 28.38 3hhw h TRP 378 CO 0.03 0.82 -0.16 -0.07 -3.56 0.00 0.00 178.44 175.51 3hhw h LEU 379 N 0.64 0.00 -0.06 -4.49 4.07 -0.44 0.74 115.31 115.78 3hhw h LEU 379 Ca 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.04 3hhw h LEU 379 Cb 0.61 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.35 3hhw h LEU 379 CO 0.04 0.16 -0.08 1.23 -1.08 0.00 0.00 178.44 178.70 3hhw h GLY 380 N 0.71 0.17 0.98 0.83 0.00 -0.55 -2.61 103.07 102.59 3hhw h GLY 380 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3hhw h GLY 380 CO 0.02 0.17 0.27 -0.25 0.00 0.00 0.00 176.54 176.75 3hhw h TRP 381 N -0.33 0.73 -0.38 5.60 7.01 -0.59 -2.48 115.95 125.50 3hhw h TRP 381 Ca 0.01 -0.03 -0.08 0.00 2.11 0.00 0.00 58.89 60.90 3hhw h TRP 381 Cb 0.63 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.45 3hhw h TRP 381 CO 0.11 0.55 -0.11 0.35 -2.79 0.00 0.00 178.44 176.55 3hhw h PHE 382 N 0.69 0.72 -1.01 2.65 -0.00 -0.96 -1.63 116.94 117.40 3hhw h PHE 382 Ca 0.18 -0.12 0.06 0.00 -0.00 0.00 0.00 57.97 58.09 3hhw h PHE 382 Cb 0.08 -0.19 -0.07 0.00 -0.00 0.00 0.00 35.95 35.77 3hhw h PHE 382 CO -0.01 0.75 0.65 0.93 -0.00 0.00 0.00 178.31 180.63 3hhw h GLU 383 N 0.61 1.16 0.00 1.11 4.39 -1.24 -0.25 114.58 120.36 3hhw h GLU 383 Ca 0.11 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 3hhw h GLU 383 Cb 0.55 -0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3hhw h GLU 383 CO 0.03 0.77 -0.02 -0.44 -1.16 0.00 0.00 179.01 178.20 3hhw h ASP 384 N 1.20 0.00 -0.28 1.42 3.32 -0.92 -2.88 116.42 118.28 3hhw h ASP 384 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 3hhw h ASP 384 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3hhw h ASP 384 CO -0.17 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 177.37 3hhw n GLN 385 N -3.11 2.88 -3.12 3.56 3.00 -0.59 -4.88 117.38 115.12 3hhw n GLN 385 Ca 0.02 -1.52 -0.23 0.00 -0.01 0.00 0.00 57.00 55.26 3hhw n GLN 385 Cb 0.39 -1.87 0.02 0.00 0.00 0.00 0.00 30.24 28.79 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 0.30 -5.38 -1.78 1.08 4.13 -1.09 -2.04 115.26 110.48 3hhw n ASN 386 Ca 0.13 -0.31 -0.13 0.00 1.68 0.00 0.00 54.58 55.95 3hhw n ASN 386 Cb 0.70 -4.37 -0.04 0.00 -1.54 0.00 0.00 39.78 34.54 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 -3.93 -1.62 -4.75 3.52 1.74 -0.21 -4.94 116.66 106.46 3hhw n ARG 387 Ca -0.08 0.73 -0.30 0.00 -0.77 0.00 0.00 57.85 57.42 3hhw n ARG 387 Cb 0.60 -5.11 -0.17 0.00 -1.02 0.00 0.00 32.46 26.76 3hhw n ARG 387 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3hhw s LYS 388 N -3.85 2.67 0.27 5.56 2.20 -0.87 -5.05 119.74 120.67 3hhw s LYS 388 Ca 0.00 -0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 54.57 3hhw s LYS 388 Cb 0.00 -2.14 -0.13 0.00 -1.51 0.00 0.00 37.83 34.05 3hhw s LYS 388 CO 0.00 0.03 1.41 -2.30 -0.36 0.00 0.00 175.35 174.13 3hhw n PRO 389 N 3.93 2.16 -2.86 4.03 -0.02 -1.26 -4.87 135.00 136.11 3hhw n PRO 389 Ca -0.20 0.77 -0.35 0.00 -2.02 0.00 0.00 63.50 61.70 3hhw n PRO 389 Cb 0.52 -2.43 -0.07 0.00 -0.02 0.00 0.00 33.50 31.50 3hhw n PRO 389 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3hhw s THR 390 N -0.26 4.35 0.29 3.45 2.01 -1.26 -4.88 115.64 119.34 3hhw s THR 390 Ca 0.65 1.58 0.16 0.00 0.31 0.00 0.00 61.69 64.39 3hhw s THR 390 Cb -0.61 -3.82 0.28 0.00 0.01 0.00 0.00 72.50 68.36 3hhw s THR 390 CO 0.52 -0.03 1.26 -2.65 -0.69 0.00 0.00 174.62 173.03 3hhw n PRO 391 N 0.11 -0.05 -0.06 4.92 -0.02 -1.26 0.21 135.00 138.85 3hhw n PRO 391 Ca 0.03 1.10 -0.11 0.00 -2.02 0.00 0.00 63.50 62.50 3hhw n PRO 391 Cb 0.52 -1.97 0.02 0.00 -0.02 0.00 0.00 33.50 32.05 3hhw n PRO 391 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3hhw h ASP 392 N 0.00 0.82 -0.73 2.55 3.58 -1.98 -0.43 116.42 120.22 3hhw h ASP 392 Ca 0.67 -0.39 -0.05 0.00 0.42 0.00 0.00 57.03 57.68 3hhw h ASP 392 Cb 1.77 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 42.55 3hhw h ASP 392 CO -0.62 1.14 0.28 0.24 -2.88 0.00 0.00 179.24 177.40 3hhw h MET 393 N 0.61 1.11 -0.22 0.28 2.86 -0.60 -0.73 114.93 118.24 3hhw h MET 393 Ca 0.04 -0.21 -0.17 0.00 -2.06 0.00 0.00 59.70 57.30 3hhw h MET 393 Cb 1.00 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.49 3hhw h MET 393 CO 0.10 0.92 -0.55 1.98 1.06 0.00 0.00 176.91 180.41 3hhw h MET 394 N 1.06 0.66 -0.46 1.72 1.85 -1.07 -2.53 114.93 116.17 3hhw h MET 394 Ca 0.24 -0.42 -0.04 0.00 -0.61 0.00 0.00 59.70 58.88 3hhw h MET 394 Cb 0.24 0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.30 3hhw h MET 394 CO -0.02 1.04 0.14 0.37 -0.40 0.00 0.00 176.91 178.04 3hhw h GLN 395 N 0.51 0.71 -0.50 0.39 5.75 -0.93 0.11 115.11 121.15 3hhw h GLN 395 Ca 0.01 -0.16 0.08 0.00 -0.15 0.00 0.00 58.65 58.43 3hhw h GLN 395 Cb 1.12 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 29.50 3hhw h GLN 395 CO 0.11 0.69 0.15 -0.92 -2.65 0.00 0.00 178.83 176.20 3hhw h TYR 396 N 0.60 0.25 -0.54 3.99 3.20 -1.03 0.40 116.97 123.84 3hhw h TYR 396 Ca 0.15 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.92 3hhw h TYR 396 Cb 0.28 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3hhw h TYR 396 CO 0.01 0.05 -0.13 0.00 -1.64 0.00 0.00 178.16 176.45 3hhw h ALA 397 N 1.36 0.74 -0.35 1.82 0.00 -1.24 -0.68 119.26 120.91 3hhw h ALA 397 Ca 0.25 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hhw h ALA 397 Cb 0.30 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3hhw h ALA 397 CO -0.28 0.68 0.23 -0.22 0.00 0.00 0.00 179.25 179.66 3hhw h LYS 398 N 0.92 0.46 -0.88 0.00 3.64 -0.28 -2.21 116.57 118.21 3hhw h LYS 398 Ca 0.14 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3hhw h LYS 398 Cb 0.71 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.38 3hhw h LYS 398 CO 0.05 0.30 0.50 0.00 -2.27 0.00 0.00 179.45 178.03 3hhw h ARG 399 N 0.47 1.22 -0.22 1.90 3.08 -0.79 -0.87 114.38 119.17 3hhw h ARG 399 Ca 0.13 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3hhw h ARG 399 Cb -0.05 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.74 3hhw h ARG 399 CO -0.03 0.88 0.13 0.00 -1.07 0.00 0.00 179.97 179.88 3hhw h ALA 400 N 1.31 0.29 0.00 0.04 0.00 -0.69 -3.30 119.26 116.92 3hhw h ALA 400 Ca 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hhw h ALA 400 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hhw h ALA 400 CO -0.05 -0.20 -1.07 1.33 0.00 0.00 0.00 179.25 179.26 3hhw n VAL 401 N -4.89 0.04 -0.35 0.00 0.24 -0.87 -4.61 118.33 107.89 3hhw n VAL 401 Ca -0.03 -0.13 0.24 0.00 -2.04 0.00 0.00 64.34 62.38 3hhw n VAL 401 Cb 0.06 0.57 0.49 0.00 -1.47 0.00 0.00 33.84 33.49 3hhw n VAL 401 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 3hhw h MET 402 N 0.00 0.37 -0.42 7.34 -1.53 -1.23 -1.93 114.93 117.54 3hhw h MET 402 Ca 0.00 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.24 3hhw h MET 402 Cb 0.62 -0.08 0.00 0.00 -0.55 0.00 0.00 31.60 31.59 3hhw h MET 402 CO 0.00 0.25 0.00 0.43 0.14 0.00 0.00 176.91 177.73 3hhw n SER 403 N -4.77 3.43 -4.73 1.39 7.64 -1.26 -4.96 113.62 110.37 3hhw n SER 403 Ca 0.28 -1.97 -0.42 0.00 1.01 0.00 0.00 58.87 57.78 3hhw n SER 403 Cb 0.94 -0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 63.84 3hhw n SER 403 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hhw s LEU 404 N -1.33 4.38 0.06 -3.43 1.43 -0.73 -5.02 118.68 114.06 3hhw s LEU 404 Ca 0.38 2.42 0.05 0.00 -1.03 0.00 0.00 54.13 55.95 3hhw s LEU 404 Cb 0.22 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.81 3hhw s LEU 404 CO 0.30 -0.64 -0.14 0.00 0.23 0.00 0.00 176.35 176.09 3hhw s GLN 405 N 0.59 0.85 -1.17 1.70 -2.07 -1.26 -4.87 119.66 113.43 3hhw s GLN 405 Ca 0.62 -0.89 -0.09 0.00 -1.82 0.00 0.00 55.36 53.18 3hhw s GLN 405 Cb -0.38 -0.86 -0.02 0.00 -1.09 0.00 0.00 33.01 30.65 3hhw s GLN 405 CO 0.34 0.20 0.81 0.41 -1.32 0.00 0.00 175.29 175.73 3hhw n GLY 406 N 1.47 -0.78 3.90 2.60 0.00 -1.26 -5.00 105.19 106.11 3hhw n GLY 406 Ca -0.20 0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -6.22 3.66 0.20 0.99 1.43 -1.26 -5.10 118.68 112.39 3hhw s LEU 407 Ca 0.29 1.01 0.06 0.00 -1.03 0.00 0.00 54.13 54.46 3hhw s LEU 407 Cb -0.07 -3.95 -0.04 0.00 0.03 0.00 0.00 46.19 42.16 3hhw s LEU 407 CO 0.80 -0.55 0.20 -0.13 0.23 0.00 0.00 176.35 176.90 3hhw s ARG 408 N -4.53 3.03 0.61 1.70 0.52 -1.26 -5.03 118.95 113.99 3hhw s ARG 408 Ca 0.49 -0.90 -0.18 0.00 -0.52 0.00 0.00 55.73 54.61 3hhw s ARG 408 Cb -0.10 -2.68 -0.03 0.00 0.52 0.00 0.00 34.95 32.66 3hhw s ARG 408 CO 0.42 0.45 1.23 -1.83 0.02 0.00 0.00 175.30 175.59 3hhw s GLU 409 N -3.50 2.85 -1.52 3.54 -1.05 -1.26 -3.54 118.70 114.22 3hhw s GLU 409 Ca 0.32 1.88 -0.03 0.00 -0.15 0.00 0.00 54.97 56.99 3hhw s GLU 409 Cb -0.09 -1.91 0.01 0.00 -0.44 0.00 0.00 34.13 31.70 3hhw s GLU 409 CO 0.25 -1.31 0.28 1.17 0.95 0.00 0.00 175.26 176.60 3hhw n LYS 410 N -1.70 -3.17 -3.93 -4.83 3.00 -1.26 -4.99 118.16 101.29 3hhw n LYS 410 Ca 0.14 0.84 -0.22 0.00 -0.00 0.00 0.00 58.31 59.07 3hhw n LYS 410 Cb 0.49 -5.58 -0.05 0.00 0.00 0.00 0.00 35.03 29.90 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 -3.01 3.31 0.12 3.15 -4.23 -1.23 -1.59 115.64 112.17 3hhw s THR 411 Ca 0.16 -1.50 0.15 0.00 -1.18 0.00 0.00 61.69 59.31 3hhw s THR 411 Cb -0.07 -3.10 0.04 0.00 1.34 0.00 0.00 72.50 70.70 3hhw s THR 411 CO 0.20 -0.17 1.59 0.40 -0.54 0.00 0.00 174.62 176.09 3hhw h ILE 412 N 1.37 1.12 -0.56 2.99 2.04 -1.35 -2.57 117.51 120.55 3hhw h ILE 412 Ca -0.44 -2.05 -0.09 0.00 1.00 0.00 0.00 64.86 63.27 3hhw h ILE 412 Cb 1.25 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 39.51 3hhw h ILE 412 CO 0.60 0.53 -0.00 1.23 0.00 0.00 0.00 178.15 180.51 3hhw h GLY 413 N 2.41 1.06 1.03 5.37 0.00 -1.39 -2.44 103.07 109.11 3hhw h GLY 413 Ca -0.01 -0.79 -0.15 0.00 0.00 0.00 0.00 47.33 46.39 3hhw h GLY 413 CO 0.07 0.72 -0.43 1.70 0.00 0.00 0.00 176.54 178.60 3hhw h LYS 414 N 0.87 0.74 0.54 4.80 1.63 -1.75 -2.35 116.57 121.05 3hhw h LYS 414 Ca 0.16 -0.46 -0.02 0.00 -0.85 0.00 0.00 60.65 59.48 3hhw h LYS 414 Cb 0.55 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.20 3hhw h LYS 414 CO 0.03 1.08 -0.51 -0.92 -3.45 0.00 0.00 179.45 175.68 3hhw h TYR 415 N 0.48 -1.40 -0.91 1.91 3.20 -1.48 -2.59 116.97 116.16 3hhw h TYR 415 Ca 0.02 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.00 3hhw h TYR 415 Cb 1.03 0.54 -0.08 0.00 1.54 0.00 0.00 36.73 39.76 3hhw h TYR 415 CO 0.08 -0.69 0.55 0.00 -1.64 0.00 0.00 178.16 176.46 3hhw h ALA 416 N -0.91 1.35 -0.07 1.82 0.00 -1.47 -0.77 119.26 119.20 3hhw h ALA 416 Ca -0.07 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hhw h ALA 416 Cb 0.89 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3hhw h ALA 416 CO -0.05 0.16 0.03 -0.22 0.00 0.00 0.00 179.25 179.17 3hhw h LYS 417 N 0.89 0.10 0.00 0.00 3.64 -1.35 -1.17 116.57 118.68 3hhw h LYS 417 Ca 0.45 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 3hhw h LYS 417 Cb 0.44 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3hhw h LYS 417 CO -0.26 0.20 0.00 -1.13 -2.27 0.00 0.00 179.45 175.99 3hhw n SER 418 N -4.97 0.28 0.06 4.20 3.41 -0.98 -1.55 113.62 114.07 3hhw n SER 418 Ca -0.06 0.54 -0.23 0.00 -0.26 0.00 0.00 58.87 58.86 3hhw n SER 418 Cb 0.09 -0.61 -0.15 0.00 -0.26 0.00 0.00 64.21 63.29 3hhw n SER 418 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3hhw h GLU 419 N 0.00 0.37 0.00 4.33 4.57 -0.92 -3.42 114.58 119.51 3hhw h GLU 419 Ca 0.00 -0.63 0.00 0.00 -1.18 0.00 0.00 59.36 57.55 3hhw h GLU 419 Cb 0.51 0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 3hhw h GLU 419 CO 0.00 1.30 -0.66 1.19 -1.18 0.00 0.00 179.01 179.67 3hhw n PHE 420 N -3.76 0.00 -3.65 0.92 3.72 -0.46 -4.79 117.46 109.43 3hhw n PHE 420 Ca -0.22 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.80 3hhw n PHE 420 Cb 1.01 -0.05 -0.08 0.00 -0.94 0.00 0.00 39.48 39.42 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 -2.16 5.65 0.00 4.37 2.15 -0.60 -3.95 116.67 122.13 3hhw s ASP 421 Ca 0.02 -3.16 0.14 0.00 0.43 0.00 0.00 52.55 49.98 3hhw s ASP 421 Cb 0.07 -1.91 0.11 0.00 -0.30 0.00 0.00 42.92 40.89 3hhw s ASP 421 CO 0.40 -0.32 0.94 0.29 -0.17 0.00 0.00 175.17 176.31