#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhw s VAL 3 N 0.00 4.82 -0.15 -3.33 1.01 -1.26 -5.05 120.40 116.43 3hhw s VAL 3 Ca 0.00 1.71 -0.15 0.00 0.00 0.00 0.00 61.98 63.54 3hhw s VAL 3 Cb 0.00 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 3hhw s VAL 3 CO 0.00 0.29 0.35 -0.89 0.00 0.00 0.00 175.10 174.85 3hhw s THR 4 N 0.38 5.27 -0.12 3.92 2.01 -1.26 -5.03 115.64 120.81 3hhw s THR 4 Ca 0.42 0.67 0.01 0.00 0.31 0.00 0.00 61.69 63.10 3hhw s THR 4 Cb -0.20 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 3hhw s THR 4 CO 0.23 0.37 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.68 3hhw s VAL 5 N 0.55 2.79 0.14 3.82 1.01 -1.26 -5.10 120.40 122.36 3hhw s VAL 5 Ca 0.19 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.50 3hhw s VAL 5 Cb -0.14 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3hhw s VAL 5 CO 0.06 0.54 -0.21 -1.59 0.00 0.00 0.00 175.10 173.89 3hhw s LYS 6 N 0.30 1.28 0.10 2.72 -2.85 -1.26 -1.36 119.74 118.66 3hhw s LYS 6 Ca -0.12 -1.34 -0.26 0.00 -1.00 0.00 0.00 55.97 53.26 3hhw s LYS 6 Cb -0.16 -1.50 -0.07 0.00 -2.06 0.00 0.00 37.83 34.04 3hhw s LYS 6 CO 0.06 0.33 0.80 0.50 0.10 0.00 0.00 175.35 177.14 3hhw s ARG 7 N -2.38 4.56 -0.02 1.78 3.52 0.16 -4.89 118.95 121.68 3hhw s ARG 7 Ca 0.13 1.16 -0.23 0.00 -0.13 0.00 0.00 55.73 56.66 3hhw s ARG 7 Cb -0.08 -3.32 -0.21 0.00 -1.56 0.00 0.00 34.95 29.78 3hhw s ARG 7 CO 0.06 0.39 1.14 0.82 -0.81 0.00 0.00 175.30 176.90 3hhw h ILE 8 N 3.78 1.47 -0.20 4.11 2.04 -1.98 -1.40 117.51 125.33 3hhw h ILE 8 Ca -0.45 -1.70 0.06 0.00 1.00 0.00 0.00 64.86 63.77 3hhw h ILE 8 Cb 1.21 2.45 -0.01 0.00 -0.74 0.00 0.00 36.82 39.73 3hhw h ILE 8 CO 0.69 0.47 0.15 -0.29 0.00 0.00 0.00 178.15 179.18 3hhw h ILE 9 N -0.34 0.84 0.00 -0.67 6.09 -1.98 -3.24 117.51 118.20 3hhw h ILE 9 Ca -0.02 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 3hhw h ILE 9 Cb 0.88 0.89 0.00 0.00 0.47 0.00 0.00 36.82 39.06 3hhw h ILE 9 CO 0.04 0.00 -0.21 -0.90 -3.07 0.00 0.00 178.15 174.01 3hhw n ASP 10 N -4.38 0.00 -3.75 2.19 5.68 -1.26 -5.05 116.55 109.98 3hhw n ASP 10 Ca 0.02 -1.42 -0.25 0.00 -0.50 0.00 0.00 54.79 52.64 3hhw n ASP 10 Cb 0.29 -0.08 0.04 0.00 -1.14 0.00 0.00 41.12 40.23 3hhw n ASP 10 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3hhw n ASN 11 N 0.00 -3.08 -4.77 -1.12 5.15 -0.53 -5.00 115.26 105.91 3hhw n ASN 11 Ca 0.00 -0.76 -0.29 0.00 -0.60 0.00 0.00 54.58 52.93 3hhw n ASN 11 Cb 0.58 -4.16 -0.06 0.00 -0.53 0.00 0.00 39.78 35.61 3hhw n ASN 11 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3hhw s THR 12 N -3.48 4.40 -0.09 -0.44 -4.23 -1.22 -4.89 115.64 105.69 3hhw s THR 12 Ca 0.31 -0.95 -0.19 0.00 -1.18 0.00 0.00 61.69 59.67 3hhw s THR 12 Cb -0.15 -3.17 -0.04 0.00 1.34 0.00 0.00 72.50 70.47 3hhw s THR 12 CO 0.81 0.02 0.51 -0.69 -0.54 0.00 0.00 174.62 174.73 3hhw s VAL 13 N -1.54 5.14 -0.06 2.29 1.01 -1.26 0.38 120.40 126.36 3hhw s VAL 13 Ca 0.29 1.04 0.05 0.00 0.00 0.00 0.00 61.98 63.36 3hhw s VAL 13 Cb -0.11 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 3hhw s VAL 13 CO 0.22 0.34 -0.19 -0.51 0.00 0.00 0.00 175.10 174.96 3hhw s ILE 14 N 0.47 2.63 -0.41 2.22 2.07 -0.47 -4.92 121.20 122.79 3hhw s ILE 14 Ca 0.28 -0.87 -0.01 0.00 -1.41 0.00 0.00 60.65 58.63 3hhw s ILE 14 Cb -0.16 -2.01 0.11 0.00 0.13 0.00 0.00 42.46 40.54 3hhw s ILE 14 CO 0.12 0.58 0.19 -0.69 -1.91 0.00 0.00 174.94 173.22 3hhw s VAL 15 N -0.44 3.08 0.02 4.00 1.01 -1.26 -3.99 120.40 122.82 3hhw s VAL 15 Ca 0.05 -2.21 -0.30 0.00 0.00 0.00 0.00 61.98 59.52 3hhw s VAL 15 Cb -0.12 -3.13 -0.08 0.00 0.00 0.00 0.00 36.38 33.05 3hhw s VAL 15 CO 0.02 -0.69 1.80 -2.84 0.00 0.00 0.00 175.10 173.39 3hhw s PRO 16 N 0.98 4.16 0.00 2.72 0.02 -1.26 -4.99 135.00 136.64 3hhw s PRO 16 Ca 0.10 2.43 0.06 0.00 0.02 0.00 0.00 61.00 63.61 3hhw s PRO 16 Cb -0.22 -3.97 -0.02 0.00 0.02 0.00 0.00 34.50 30.32 3hhw s PRO 16 CO -0.05 -0.88 -0.19 0.15 -0.33 0.00 0.00 177.00 175.71 3hhw s LYS 17 N 3.89 1.44 0.04 5.54 1.02 -1.26 -5.14 119.74 125.27 3hhw s LYS 17 Ca 0.81 -0.74 0.05 0.00 0.02 0.00 0.00 55.97 56.10 3hhw s LYS 17 Cb -0.39 -1.44 -0.02 0.00 -0.52 0.00 0.00 37.83 35.46 3hhw s LYS 17 CO 0.36 0.39 -0.14 -0.51 -0.92 0.00 0.00 175.35 174.52 3hhw s LEU 18 N -0.67 2.17 0.17 3.17 1.02 -1.26 -5.13 118.68 118.16 3hhw s LEU 18 Ca 0.07 -0.46 -0.33 0.00 0.02 0.00 0.00 54.13 53.43 3hhw s LEU 18 Cb -0.08 -0.61 -0.15 0.00 0.02 0.00 0.00 46.19 45.38 3hhw s LEU 18 CO 0.00 0.03 1.38 -2.65 0.02 0.00 0.00 176.35 175.14 3hhw n PRO 19 N 1.90 1.68 -1.70 1.29 -0.02 -1.26 -4.90 135.00 132.00 3hhw n PRO 19 Ca -0.18 0.60 -0.43 0.00 -2.02 0.00 0.00 63.50 61.47 3hhw n PRO 19 Cb 0.55 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 3hhw n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hhw n ALA 20 N 2.33 1.57 -3.62 3.55 0.00 -1.26 -4.99 120.51 118.09 3hhw n ALA 20 Ca 0.15 0.39 -0.28 0.00 0.00 0.00 0.00 53.44 53.69 3hhw n ALA 20 Cb 0.27 -2.32 -0.12 0.00 0.00 0.00 0.00 19.45 17.28 3hhw n ALA 20 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3hhw s ASN 21 N 0.16 3.14 0.00 0.00 2.47 -1.26 -5.06 114.94 114.39 3hhw s ASN 21 Ca 0.63 -2.93 0.00 0.00 0.42 0.00 0.00 52.86 50.98 3hhw s ASN 21 Cb -0.58 -0.89 0.00 0.00 -1.45 0.00 0.00 41.25 38.32 3hhw s ASN 21 CO 0.53 -0.21 0.00 -0.62 -3.72 0.00 0.00 177.10 173.08 3hhw n GLU 22 N 3.11 0.00 -3.39 0.43 -0.58 -1.26 -4.98 120.64 113.98 3hhw n GLU 22 Ca 0.17 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.79 3hhw n GLU 22 Cb 0.39 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.26 3hhw n GLU 22 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3hhw n ASP 23 N 0.00 -6.49 -4.89 1.62 -0.08 -1.26 -4.99 116.55 100.46 3hhw n ASP 23 Ca 0.00 -0.50 -0.29 0.00 -1.51 0.00 0.00 54.79 52.49 3hhw n ASP 23 Cb 0.00 -3.85 -0.02 0.00 2.34 0.00 0.00 41.12 39.59 3hhw n ASP 23 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 3hhw s PRO 24 N -4.03 3.66 0.57 -0.67 0.05 -1.26 -5.07 135.00 128.24 3hhw s PRO 24 Ca 0.07 0.32 -0.16 0.00 0.05 0.00 0.00 61.00 61.27 3hhw s PRO 24 Cb -0.02 -2.40 -0.05 0.00 0.05 0.00 0.00 34.50 32.08 3hhw s PRO 24 CO 0.81 -0.10 1.04 0.14 0.05 0.00 0.00 177.00 178.94 3hhw s VAL 25 N -2.52 4.02 -0.23 -0.36 -7.23 -1.26 -4.91 120.40 107.90 3hhw s VAL 25 Ca 0.49 0.96 0.02 0.00 -1.81 0.00 0.00 61.98 61.64 3hhw s VAL 25 Cb -0.10 -3.48 0.05 0.00 0.56 0.00 0.00 36.38 33.40 3hhw s VAL 25 CO 0.38 -0.56 -0.12 -1.61 -0.31 0.00 0.00 175.10 172.87 3hhw s GLU 26 N -4.08 2.28 0.39 4.82 2.02 -0.14 -4.97 118.70 119.01 3hhw s GLU 26 Ca 0.62 -1.10 -0.21 0.00 0.02 0.00 0.00 54.97 54.30 3hhw s GLU 26 Cb -0.14 -2.69 -0.10 0.00 0.10 0.00 0.00 34.13 31.29 3hhw s GLU 26 CO 0.35 -0.47 0.91 0.71 0.02 0.00 0.00 175.26 176.78 3hhw s TYR 27 N 1.23 3.40 0.49 1.61 2.02 -1.26 -4.48 117.35 120.37 3hhw s TYR 27 Ca -0.04 1.58 0.17 0.00 -0.37 0.00 0.00 57.07 58.40 3hhw s TYR 27 Cb -0.18 -2.81 1.21 0.00 -0.40 0.00 0.00 41.96 39.78 3hhw s TYR 27 CO -0.07 -0.00 2.10 -1.35 -1.57 0.00 0.00 175.55 174.65 3hhw h PRO 28 N 2.26 0.00 0.00 -1.71 0.11 -1.93 -2.63 132.00 128.11 3hhw h PRO 28 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3hhw h PRO 28 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3hhw h PRO 28 CO 0.63 0.07 -0.10 0.00 -0.21 0.00 0.00 178.00 178.38 3hhw h ALA 29 N 1.93 0.99 0.00 -0.75 0.00 -1.92 -3.15 119.26 116.36 3hhw h ALA 29 Ca -0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3hhw h ALA 29 Cb 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hhw h ALA 29 CO 0.01 0.13 -0.36 -0.44 0.00 0.00 0.00 179.25 178.59 3hhw h ASP 30 N 0.00 0.00 0.05 0.00 3.45 -1.83 -3.10 116.42 114.99 3hhw h ASP 30 Ca -0.00 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.41 3hhw h ASP 30 Cb 0.74 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.50 3hhw h ASP 30 CO 0.01 0.36 -0.16 0.22 -1.57 0.00 0.00 179.24 178.11 3hhw h TYR 31 N 0.00 0.23 -0.37 4.55 3.20 -1.68 -3.02 116.97 119.89 3hhw h TYR 31 Ca -0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3hhw h TYR 31 Cb 1.00 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.20 3hhw h TYR 31 CO 0.00 0.38 0.00 1.19 -1.64 0.00 0.00 178.16 178.09 3hhw n PHE 32 N -4.25 0.78 0.42 -3.82 3.72 -1.17 -2.96 117.46 110.18 3hhw n PHE 32 Ca -0.01 -0.32 0.08 0.00 -0.05 0.00 0.00 57.45 57.15 3hhw n PHE 32 Cb 0.28 -0.13 0.11 0.00 -0.94 0.00 0.00 39.48 38.80 3hhw n PHE 32 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3hhw n ARG 33 N 0.54 1.71 0.00 -1.08 1.74 -1.14 -4.48 116.66 113.95 3hhw n ARG 33 Ca 0.14 -1.71 0.00 0.00 -0.77 0.00 0.00 57.85 55.51 3hhw n ARG 33 Cb 0.51 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 3hhw n ARG 33 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3hhw n LYS 34 N 0.95 0.00 -3.64 5.56 2.85 -1.23 -5.09 118.16 117.55 3hhw n LYS 34 Ca 0.12 -0.12 -0.16 0.00 -1.05 0.00 0.00 58.31 57.10 3hhw n LYS 34 Cb 0.44 -0.47 -0.07 0.00 -0.65 0.00 0.00 35.03 34.27 3hhw n LYS 34 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 3hhw s SER 35 N 0.00 -0.43 0.00 -5.58 0.15 -1.15 -5.06 113.70 101.62 3hhw s SER 35 Ca 0.00 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.06 3hhw s SER 35 Cb 0.00 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 3hhw s SER 35 CO 0.00 -0.53 0.72 0.29 1.20 0.00 0.00 173.24 174.92 3hhw n LYS 36 N 1.10 1.42 -4.05 5.44 4.76 -1.26 -4.23 118.16 121.34 3hhw n LYS 36 Ca -0.20 -0.97 -0.08 0.00 -2.87 0.00 0.00 58.31 54.19 3hhw n LYS 36 Cb 0.56 -0.80 -0.09 0.00 -1.84 0.00 0.00 35.03 32.86 3hhw n LYS 36 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3hhw s GLU 37 N -0.50 0.73 -0.40 1.97 2.02 -1.26 -4.91 118.70 116.34 3hhw s GLU 37 Ca 0.00 -1.20 -0.05 0.00 0.02 0.00 0.00 54.97 53.74 3hhw s GLU 37 Cb 0.00 0.25 0.10 0.00 0.10 0.00 0.00 34.13 34.57 3hhw s GLU 37 CO 0.00 -0.18 0.21 0.42 0.02 0.00 0.00 175.26 175.73 3hhw s ILE 38 N -3.93 3.59 0.01 -1.63 1.01 -1.02 -5.08 121.20 114.16 3hhw s ILE 38 Ca 0.10 -1.78 -0.30 0.00 0.00 0.00 0.00 60.65 58.67 3hhw s ILE 38 Cb 0.07 -3.33 -0.06 0.00 0.01 0.00 0.00 42.46 39.14 3hhw s ILE 38 CO -0.08 -0.58 1.54 -2.84 0.00 0.00 0.00 174.94 172.98 3hhw s PRO 39 N 1.25 4.23 -0.41 2.79 0.02 -1.26 -4.16 135.00 137.47 3hhw s PRO 39 Ca 0.05 2.13 0.03 0.00 0.02 0.00 0.00 61.00 63.24 3hhw s PRO 39 Cb -0.23 -3.66 0.11 0.00 0.02 0.00 0.00 34.50 30.75 3hhw s PRO 39 CO -0.02 -0.68 0.14 -1.17 -0.33 0.00 0.00 177.00 174.94 3hhw s LEU 40 N 2.79 4.25 -1.16 -5.54 2.96 -1.07 -4.99 118.68 115.93 3hhw s LEU 40 Ca 0.69 -2.45 -0.21 0.00 -0.22 0.00 0.00 54.13 51.94 3hhw s LEU 40 Cb -0.35 -1.53 0.04 0.00 0.50 0.00 0.00 46.19 44.86 3hhw s LEU 40 CO 0.29 -0.32 1.66 -0.31 -1.32 0.00 0.00 176.35 176.35 3hhw s TYR 41 N 0.50 2.55 -0.24 5.38 2.02 -1.26 -0.39 117.35 125.92 3hhw s TYR 41 Ca 0.13 -1.00 -0.08 0.00 -0.37 0.00 0.00 57.07 55.75 3hhw s TYR 41 Cb -0.22 -4.62 -0.04 0.00 -0.40 0.00 0.00 41.96 36.68 3hhw s TYR 41 CO -0.06 -1.80 0.09 0.42 -1.57 0.00 0.00 175.55 172.63 3hhw s ILE 42 N 5.50 4.59 0.26 2.71 1.01 0.58 -4.57 121.20 131.28 3hhw s ILE 42 Ca 0.53 -0.08 -0.31 0.00 0.00 0.00 0.00 60.65 60.79 3hhw s ILE 42 Cb 0.01 -3.13 -0.13 0.00 0.01 0.00 0.00 42.46 39.22 3hhw s ILE 42 CO 0.01 0.36 1.48 -3.20 0.00 0.00 0.00 174.94 173.59 3hhw n ASN 43 N 4.56 3.19 -4.54 3.58 5.15 -1.26 -3.25 115.26 122.69 3hhw n ASN 43 Ca -0.16 1.14 -0.54 0.00 -0.60 0.00 0.00 54.58 54.43 3hhw n ASN 43 Cb 0.52 -1.49 -0.06 0.00 -0.53 0.00 0.00 39.78 38.21 3hhw n ASN 43 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 3hhw n THR 44 N 1.99 0.36 -1.70 -0.44 -1.04 -1.26 -4.71 114.28 107.48 3hhw n THR 44 Ca 0.10 -0.09 -0.20 0.00 -2.04 0.00 0.00 64.05 61.82 3hhw n THR 44 Cb 0.34 -0.43 -0.06 0.00 -1.82 0.00 0.00 70.33 68.35 3hhw n THR 44 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3hhw s THR 45 N 0.03 3.12 -0.91 12.58 2.01 -1.26 -4.87 115.64 126.34 3hhw s THR 45 Ca 0.83 -0.08 -0.24 0.00 0.31 0.00 0.00 61.69 62.51 3hhw s THR 45 Cb -1.05 -3.28 0.03 0.00 0.01 0.00 0.00 72.50 68.20 3hhw s THR 45 CO 0.53 -0.27 1.51 -0.54 -0.69 0.00 0.00 174.62 175.16 3hhw s LYS 46 N 8.31 3.27 0.05 4.92 -0.14 -1.26 -4.60 119.74 130.30 3hhw s LYS 46 Ca 0.87 -0.67 0.00 0.00 -1.36 0.00 0.00 55.97 54.81 3hhw s LYS 46 Cb -0.12 -4.96 0.00 0.00 -1.68 0.00 0.00 37.83 31.07 3hhw s LYS 46 CO 0.09 -2.41 0.00 0.45 -0.76 0.00 0.00 175.35 172.72 3hhw n SER 47 N 10.04 -9.18 0.21 2.83 2.88 -1.26 -4.68 113.62 114.45 3hhw n SER 47 Ca 0.26 1.70 -0.14 0.00 -1.33 0.00 0.00 58.87 59.36 3hhw n SER 47 Cb 0.50 -5.03 -0.08 0.00 -0.75 0.00 0.00 64.21 58.85 3hhw n SER 47 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3hhw h LEU 48 N 4.10 -0.45 -1.25 2.46 5.85 -1.98 -3.14 115.31 120.91 3hhw h LEU 48 Ca 0.00 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 3hhw h LEU 48 Cb 0.00 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3hhw h LEU 48 CO 0.00 -0.12 -0.19 -1.28 -0.34 0.00 0.00 178.44 176.50 3hhw h SER 49 N -0.80 0.00 1.05 1.25 0.87 -1.98 -3.05 113.55 110.89 3hhw h SER 49 Ca -0.05 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 3hhw h SER 49 Cb 0.53 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 3hhw h SER 49 CO 0.09 0.19 -0.09 -0.78 -0.53 0.00 0.00 176.83 175.71 3hhw h ASP 50 N 0.00 0.00 0.98 6.23 3.58 -1.86 -2.97 116.42 122.38 3hhw h ASP 50 Ca -0.00 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.27 3hhw h ASP 50 Cb 0.67 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.70 3hhw h ASP 50 CO 0.02 0.09 -0.83 -0.07 -2.88 0.00 0.00 179.24 175.57 3hhw h LEU 51 N 0.00 0.00 -2.25 2.28 3.38 -1.52 -3.29 115.31 113.91 3hhw h LEU 51 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3hhw h LEU 51 Cb 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 3hhw h LEU 51 CO 0.01 0.83 -0.05 -0.09 0.09 0.00 0.00 178.44 179.23 3hhw h ARG 52 N 0.00 0.00 0.00 1.13 2.43 -1.66 -1.93 114.38 114.34 3hhw h ARG 52 Ca -0.01 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.91 3hhw h ARG 52 Cb 1.55 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.06 3hhw h ARG 52 CO 0.11 0.05 -1.39 0.78 -1.51 0.00 0.00 179.97 178.01 3hhw h GLY 53 N 0.60 0.00 0.93 2.80 0.00 -1.71 -3.27 103.07 102.43 3hhw h GLY 53 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hhw h GLY 53 CO 0.01 0.00 -0.03 -0.97 0.00 0.00 0.00 176.54 175.54 3hhw h TYR 54 N 0.00 -0.08 0.00 5.60 0.05 -1.45 -2.81 116.97 118.27 3hhw h TYR 54 Ca -0.17 -0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.58 3hhw h TYR 54 Cb 1.88 0.03 -0.01 0.00 1.01 0.00 0.00 36.73 39.65 3hhw h TYR 54 CO 0.00 0.01 -0.76 -0.39 -1.05 0.00 0.00 178.16 175.97 3hhw h VAL 55 N -0.16 0.16 -0.29 -2.88 -1.51 -1.74 -3.05 116.25 106.78 3hhw h VAL 55 Ca -0.01 -1.27 -0.02 0.00 -1.23 0.00 0.00 66.70 64.17 3hhw h VAL 55 Cb 0.14 1.80 -0.02 0.00 -2.13 0.00 0.00 31.29 31.08 3hhw h VAL 55 CO 0.02 0.09 0.09 0.22 -1.23 0.00 0.00 177.57 176.75 3hhw h TYR 56 N 0.00 0.40 0.01 5.19 3.20 -1.60 -1.58 116.97 122.59 3hhw h TYR 56 Ca -0.03 -0.01 -0.35 0.00 3.14 0.00 0.00 58.73 61.49 3hhw h TYR 56 Cb 1.13 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 39.21 3hhw h TYR 56 CO 0.00 0.35 -2.15 0.94 -1.64 0.00 0.00 178.16 175.65 3hhw n GLN 57 N -4.39 0.67 0.23 1.82 -0.06 -1.24 -3.53 117.38 110.89 3hhw n GLN 57 Ca 0.01 0.12 0.07 0.00 -2.00 0.00 0.00 57.00 55.20 3hhw n GLN 57 Cb 0.15 -1.62 0.56 0.00 -4.06 0.00 0.00 30.24 25.28 3hhw n GLN 57 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 3hhw h GLY 58 N 3.53 0.00 0.75 1.69 0.00 -1.40 -1.95 103.07 105.70 3hhw h GLY 58 Ca -0.46 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 3hhw h GLY 58 CO 0.04 0.00 -1.33 -0.10 0.00 0.00 0.00 176.54 175.15 3hhw n LEU 59 N -4.16 0.65 -0.06 3.11 0.00 -0.61 -3.20 117.00 112.73 3hhw n LEU 59 Ca -0.02 0.26 -0.13 0.00 0.00 0.00 0.00 56.01 56.11 3hhw n LEU 59 Cb 0.24 -0.01 -0.07 0.00 0.00 0.00 0.00 43.42 43.58 3hhw n LEU 59 CO 0.35 -0.07 0.58 0.50 0.00 0.00 0.00 177.39 178.75 3hhw h LYS 60 N 0.00 0.42 -0.21 1.96 3.64 -1.42 -3.33 116.57 117.63 3hhw h LYS 60 Ca -0.05 -0.23 -0.18 0.00 -1.27 0.00 0.00 60.65 58.93 3hhw h LYS 60 Cb 1.14 0.01 -0.19 0.00 -0.41 0.00 0.00 32.23 32.78 3hhw h LYS 60 CO 0.01 0.80 -0.71 -1.13 -2.27 0.00 0.00 179.45 176.15 3hhw n SER 61 N -4.49 2.34 -0.36 4.20 3.41 -0.81 -4.73 113.62 113.17 3hhw n SER 61 Ca -0.06 -3.43 0.05 0.00 -0.26 0.00 0.00 58.87 55.17 3hhw n SER 61 Cb 0.39 -0.44 -0.01 0.00 -0.26 0.00 0.00 64.21 63.88 3hhw n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hhw n GLY 62 N -0.73 -1.75 3.50 5.00 0.00 -1.19 -5.02 105.19 105.00 3hhw n GLY 62 Ca 0.22 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.43 3hhw n GLY 62 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hhw n ASN 63 N -2.33 -5.55 -4.94 1.61 0.23 -1.25 -4.58 115.26 98.45 3hhw n ASN 63 Ca -0.00 -0.14 -0.25 0.00 -0.53 0.00 0.00 54.58 53.65 3hhw n ASN 63 Cb 0.16 -1.69 -0.03 0.00 -2.08 0.00 0.00 39.78 36.15 3hhw n ASN 63 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3hhw s VAL 64 N -1.47 5.24 0.21 3.53 0.11 -1.21 -4.84 120.40 121.98 3hhw s VAL 64 Ca 0.38 -0.60 -0.30 0.00 -2.93 0.00 0.00 61.98 58.53 3hhw s VAL 64 Cb -0.04 -3.78 -0.08 0.00 -1.53 0.00 0.00 36.38 30.95 3hhw s VAL 64 CO 0.86 -0.22 1.13 -0.55 -3.33 0.00 0.00 175.10 172.99 3hhw s SER 65 N -3.45 7.20 -0.02 3.54 0.15 -1.26 -4.98 113.70 114.89 3hhw s SER 65 Ca 0.37 2.20 -0.21 0.00 0.70 0.00 0.00 55.95 59.00 3hhw s SER 65 Cb -0.10 -2.61 -0.24 0.00 -1.71 0.00 0.00 66.02 61.35 3hhw s SER 65 CO 0.30 -0.25 1.06 -0.29 1.20 0.00 0.00 173.24 175.26 3hhw h ILE 66 N 3.54 1.47 0.00 6.45 6.09 -2.01 -3.26 117.51 129.79 3hhw h ILE 66 Ca -0.45 -2.07 -0.10 0.00 -1.37 0.00 0.00 64.86 60.87 3hhw h ILE 66 Cb 1.21 2.69 -0.01 0.00 0.47 0.00 0.00 36.82 41.17 3hhw h ILE 66 CO 0.71 0.59 -0.49 0.40 -3.07 0.00 0.00 178.15 176.29 3hhw h ILE 67 N -0.24 1.07 0.00 2.19 2.04 -2.00 -2.98 117.51 117.58 3hhw h ILE 67 Ca -0.06 -1.87 -0.08 0.00 1.00 0.00 0.00 64.86 63.85 3hhw h ILE 67 Cb 1.24 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 39.40 3hhw h ILE 67 CO 0.10 0.48 -0.36 0.45 0.00 0.00 0.00 178.15 178.82 3hhw h HIS 68 N 0.00 0.00 -0.34 1.37 3.86 -1.95 -2.96 115.15 115.13 3hhw h HIS 68 Ca -0.00 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.03 3hhw h HIS 68 Cb 1.06 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.53 3hhw h HIS 68 CO 0.00 0.36 -0.47 0.28 0.86 0.00 0.00 177.93 178.96 3hhw h VAL 69 N 0.00 1.27 -0.44 2.45 2.07 -1.56 -2.89 116.25 117.15 3hhw h VAL 69 Ca -0.00 -1.65 0.01 0.00 0.82 0.00 0.00 66.70 65.88 3hhw h VAL 69 Cb 0.76 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 3hhw h VAL 69 CO 0.05 0.55 0.28 0.78 0.02 0.00 0.00 177.57 179.24 3hhw h ASN 70 N 0.72 0.48 0.05 0.57 -0.26 -1.56 -2.63 115.58 112.96 3hhw h ASN 70 Ca 0.04 -0.01 -0.15 0.00 -0.56 0.00 0.00 56.30 55.62 3hhw h ASN 70 Cb 1.07 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 38.21 3hhw h ASN 70 CO 0.11 0.34 -0.53 0.28 -1.06 0.00 0.00 177.43 176.57 3hhw h SER 71 N 0.57 0.57 -0.42 5.81 0.02 -1.57 -1.84 113.55 116.68 3hhw h SER 71 Ca 0.16 -0.30 -0.07 0.00 -0.84 0.00 0.00 61.79 60.75 3hhw h SER 71 Cb -0.04 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 3hhw h SER 71 CO -0.05 1.00 0.01 0.22 -1.14 0.00 0.00 176.83 176.87 3hhw h TYR 72 N 0.40 0.81 -0.33 3.45 3.20 -1.44 0.20 116.97 123.27 3hhw h TYR 72 Ca 0.01 -0.14 -0.10 0.00 3.14 0.00 0.00 58.73 61.65 3hhw h TYR 72 Cb 1.06 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 3hhw h TYR 72 CO 0.04 0.80 -0.20 -0.07 -1.64 0.00 0.00 178.16 177.09 3hhw h LEU 73 N 0.58 0.61 0.30 2.82 3.38 -1.46 -3.18 115.31 118.37 3hhw h LEU 73 Ca 0.12 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3hhw h LEU 73 Cb 0.47 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3hhw h LEU 73 CO 0.02 0.81 -0.15 0.22 0.09 0.00 0.00 178.44 179.44 3hhw h TYR 74 N 0.54 -0.38 0.00 1.13 3.20 -1.06 -2.23 116.97 118.17 3hhw h TYR 74 Ca 0.08 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3hhw h TYR 74 Cb 0.65 0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.04 3hhw h TYR 74 CO 0.03 -0.05 0.00 0.41 -1.64 0.00 0.00 178.16 176.91 3hhw n GLY 75 N -0.31 -0.51 0.00 1.82 0.00 0.03 -2.03 105.19 104.20 3hhw n GLY 75 Ca -0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 46.02 45.88 3hhw n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hhw n ALA 76 N -0.71 1.98 0.42 4.61 0.00 -1.20 -4.78 120.51 120.84 3hhw n ALA 76 Ca 0.05 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.56 3hhw n ALA 76 Cb 0.02 0.33 0.03 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.22 0.63 0.00 0.00 4.77 -0.84 -4.21 117.00 115.13 3hhw n LEU 77 Ca -0.01 0.10 0.09 0.00 -0.03 0.00 0.00 56.01 56.17 3hhw n LEU 77 Cb 0.52 -0.10 0.52 0.00 -2.33 0.00 0.00 43.42 42.03 3hhw n LEU 77 CO 0.01 -0.03 0.77 2.29 -1.33 0.00 0.00 177.39 179.11 3hhw n LYS 78 N -2.17 0.43 0.00 3.23 2.85 -0.86 -2.21 118.16 119.43 3hhw n LYS 78 Ca 0.01 0.06 0.10 0.00 -1.05 0.00 0.00 58.31 57.44 3hhw n LYS 78 Cb 0.47 -1.50 0.03 0.00 -0.65 0.00 0.00 35.03 33.39 3hhw n LYS 78 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3hhw n ASP 79 N -1.15 2.28 -4.66 -5.58 9.92 -1.26 -4.83 116.55 111.28 3hhw n ASP 79 Ca 0.11 -1.64 -0.43 0.00 -0.53 0.00 0.00 54.79 52.30 3hhw n ASP 79 Cb 0.11 0.29 -0.02 0.00 -0.64 0.00 0.00 41.12 40.85 3hhw n ASP 79 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3hhw s ILE 80 N -2.11 4.64 -0.02 0.53 -1.09 -0.94 -5.03 121.20 117.17 3hhw s ILE 80 Ca 0.20 1.97 0.08 0.00 -2.23 0.00 0.00 60.65 60.67 3hhw s ILE 80 Cb 0.17 -4.32 -0.02 0.00 -1.58 0.00 0.00 42.46 36.72 3hhw s ILE 80 CO 0.42 -0.23 -0.26 -0.13 -1.23 0.00 0.00 174.94 173.52 3hhw s ARG 81 N 3.29 2.12 -0.05 2.79 1.81 -1.26 -3.48 118.95 124.17 3hhw s ARG 81 Ca 0.45 -0.92 0.03 0.00 -1.72 0.00 0.00 55.73 53.57 3hhw s ARG 81 Cb -0.15 -2.05 0.00 0.00 -0.45 0.00 0.00 34.95 32.30 3hhw s ARG 81 CO 0.08 0.56 -0.14 0.20 -0.68 0.00 0.00 175.30 175.32 3hhw s GLY 82 N -0.62 0.81 -0.48 -3.53 0.00 0.24 -4.92 107.32 98.82 3hhw s GLY 82 Ca 0.10 -0.54 -0.29 0.00 0.00 0.00 0.00 44.72 43.99 3hhw s GLY 82 CO -0.01 -0.17 1.27 0.54 0.00 0.00 0.00 173.10 174.74 3hhw s LYS 83 N 0.24 3.59 -0.45 2.90 1.02 -1.26 -1.22 119.74 124.56 3hhw s LYS 83 Ca -0.07 0.62 -0.27 0.00 0.02 0.00 0.00 55.97 56.27 3hhw s LYS 83 Cb -0.12 -3.99 -0.04 0.00 -0.52 0.00 0.00 37.83 33.16 3hhw s LYS 83 CO 0.02 -1.56 2.10 -0.51 -0.92 0.00 0.00 175.35 174.48 3hhw s LEU 84 N 5.07 3.40 -0.00 3.17 1.43 0.94 -4.86 118.68 127.82 3hhw s LEU 84 Ca 0.52 1.05 -0.24 0.00 -1.03 0.00 0.00 54.13 54.43 3hhw s LEU 84 Cb -0.10 -2.88 -0.17 0.00 0.03 0.00 0.00 46.19 43.07 3hhw s LEU 84 CO 0.30 -2.35 1.18 -0.78 0.23 0.00 0.00 176.35 174.93 3hhw h ASP 85 N 16.18 -0.28 -1.75 2.29 1.82 -1.88 0.16 116.42 132.95 3hhw h ASP 85 Ca -0.29 -0.23 -0.57 0.00 -0.39 0.00 0.00 57.03 55.54 3hhw h ASP 85 Cb 1.21 0.07 -0.09 0.00 0.68 0.00 0.00 39.33 41.20 3hhw h ASP 85 CO 1.12 0.12 -0.55 -0.54 -1.61 0.00 0.00 179.24 177.78 3hhw s LYS 86 N -4.42 2.17 0.60 0.28 1.02 -1.26 -4.20 119.74 113.92 3hhw s LYS 86 Ca -0.14 -1.79 -0.18 0.00 0.02 0.00 0.00 55.97 53.88 3hhw s LYS 86 Cb 0.02 -1.96 -0.03 0.00 -0.52 0.00 0.00 37.83 35.33 3hhw s LYS 86 CO 0.54 0.01 1.17 -0.51 -0.92 0.00 0.00 175.35 175.64 3hhw s ASP 87 N -3.82 5.29 -0.06 2.83 1.11 -1.26 -4.23 116.67 116.53 3hhw s ASP 87 Ca 0.38 2.25 0.02 0.00 0.18 0.00 0.00 52.55 55.38 3hhw s ASP 87 Cb 0.02 -2.58 0.02 0.00 1.07 0.00 0.00 42.92 41.44 3hhw s ASP 87 CO 0.21 -1.52 -0.08 0.86 1.18 0.00 0.00 175.17 175.82 3hhw s TRP 88 N -1.80 1.09 -0.01 4.23 -0.11 -1.18 -4.97 118.94 116.20 3hhw s TRP 88 Ca 0.74 -0.37 -0.11 0.00 1.22 0.00 0.00 56.10 57.57 3hhw s TRP 88 Cb -0.26 -0.87 0.01 0.00 -1.50 0.00 0.00 33.47 30.85 3hhw s TRP 88 CO 0.33 -0.24 0.23 -1.12 -4.62 0.00 0.00 176.95 171.53 3hhw s SER 89 N 0.84 -0.09 -0.23 5.86 0.01 -1.26 -2.45 113.70 116.39 3hhw s SER 89 Ca -0.12 -0.05 -0.08 0.00 1.31 0.00 0.00 55.95 57.00 3hhw s SER 89 Cb -0.15 0.26 0.10 0.00 0.21 0.00 0.00 66.02 66.44 3hhw s SER 89 CO 0.01 -0.42 0.49 -0.55 0.41 0.00 0.00 173.24 173.19 3hhw s SER 90 N -1.37 -0.55 -0.34 2.44 0.15 -1.01 -4.95 113.70 108.07 3hhw s SER 90 Ca -0.14 1.17 0.00 0.00 0.70 0.00 0.00 55.95 57.68 3hhw s SER 90 Cb -0.06 1.57 0.00 0.00 -1.71 0.00 0.00 66.02 65.81 3hhw s SER 90 CO 0.03 -0.23 0.00 0.49 1.20 0.00 0.00 173.24 174.73 3hhw n PHE 91 N 5.27 -0.02 0.00 3.44 3.72 -1.26 -2.48 117.46 126.13 3hhw n PHE 91 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 3hhw n PHE 91 Cb 0.50 -2.08 0.00 0.00 -0.94 0.00 0.00 39.48 36.96 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 0.69 3.94 3.62 1.37 0.00 -1.26 -4.91 105.19 108.64 3hhw n GLY 92 Ca -0.03 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 3hhw n GLY 92 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hhw s ILE 93 N 0.00 5.05 -0.22 -0.61 2.07 -1.04 -5.05 121.20 121.41 3hhw s ILE 93 Ca 0.00 0.95 -0.21 0.00 -1.41 0.00 0.00 60.65 59.98 3hhw s ILE 93 Cb 0.00 -3.86 -0.02 0.00 0.13 0.00 0.00 42.46 38.71 3hhw s ILE 93 CO 0.00 0.07 0.67 0.54 -1.91 0.00 0.00 174.94 174.31 3hhw s ASN 94 N 1.51 6.69 0.00 4.50 2.20 -1.26 -2.41 114.94 126.16 3hhw s ASN 94 Ca 0.23 0.84 0.18 0.00 -0.94 0.00 0.00 52.86 53.17 3hhw s ASN 94 Cb -0.16 -2.36 0.51 0.00 -2.00 0.00 0.00 41.25 37.24 3hhw s ASN 94 CO 0.09 -0.34 1.43 2.30 -2.94 0.00 0.00 177.10 177.64 3hhw n ILE 95 N 4.90 0.69 -1.71 0.54 -5.35 -1.02 -4.98 119.36 112.42 3hhw n ILE 95 Ca 0.00 -0.73 0.00 0.00 -0.27 0.00 0.00 62.75 61.75 3hhw n ILE 95 Cb 0.49 0.44 0.00 0.00 -1.74 0.00 0.00 39.64 38.83 3hhw n ILE 95 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hhw n GLY 96 N 1.39 -2.00 3.49 3.28 0.00 -1.24 -4.99 105.19 105.13 3hhw n GLY 96 Ca 0.19 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 3hhw n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hhw s LYS 97 N -1.79 1.64 0.27 1.61 0.00 -1.26 -3.07 119.74 117.14 3hhw s LYS 97 Ca 0.00 -1.51 -0.30 0.00 0.00 0.00 0.00 55.97 54.16 3hhw s LYS 97 Cb 0.00 0.43 -0.12 0.00 0.00 0.00 0.00 37.83 38.14 3hhw s LYS 97 CO 0.00 -0.67 1.55 0.00 0.00 0.00 0.00 175.35 176.24 3hhw n ALA 98 N -0.44 2.17 0.00 0.59 0.00 -1.26 -2.72 120.51 118.85 3hhw n ALA 98 Ca -0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3hhw n ALA 98 Cb 0.62 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 2.27 3.04 3.77 0.00 0.00 0.56 -5.02 105.19 109.81 3hhw n GLY 99 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 0.12 5.25 0.03 1.61 1.11 -1.10 -4.69 116.67 118.98 3hhw s ASP 100 Ca 0.00 2.12 -0.08 0.00 0.18 0.00 0.00 52.55 54.77 3hhw s ASP 100 Cb 0.00 -2.57 -0.05 0.00 1.07 0.00 0.00 42.92 41.37 3hhw s ASP 100 CO 0.00 -1.54 0.32 0.28 1.18 0.00 0.00 175.17 175.41 3hhw s THR 101 N -2.05 5.22 0.01 -1.27 -1.32 -1.26 -0.04 115.64 114.92 3hhw s THR 101 Ca 0.70 0.31 -0.04 0.00 -1.21 0.00 0.00 61.69 61.45 3hhw s THR 101 Cb -0.23 -3.60 -0.01 0.00 -1.51 0.00 0.00 72.50 67.15 3hhw s THR 101 CO 0.36 0.36 0.07 -0.51 -2.21 0.00 0.00 174.62 172.69 3hhw s ILE 102 N -1.31 0.08 0.47 5.08 1.10 -0.36 -4.92 121.20 121.35 3hhw s ILE 102 Ca 0.29 -0.70 0.07 0.00 -0.51 0.00 0.00 60.65 59.80 3hhw s ILE 102 Cb -0.14 -0.33 0.01 0.00 0.15 0.00 0.00 42.46 42.15 3hhw s ILE 102 CO 0.16 -0.38 0.42 -0.83 -2.11 0.00 0.00 174.94 172.19 3hhw s GLY 103 N -1.26 2.19 0.11 1.50 0.00 -1.26 0.81 107.32 109.41 3hhw s GLY 103 Ca -0.14 -1.72 -0.18 0.00 0.00 0.00 0.00 44.72 42.68 3hhw s GLY 103 CO 0.00 -1.79 1.64 -2.22 0.00 0.00 0.00 173.10 170.73 3hhw h ILE 104 N 0.88 1.19 -0.39 0.90 2.04 -1.80 -3.25 117.51 117.07 3hhw h ILE 104 Ca -0.39 -0.59 -0.25 0.00 1.00 0.00 0.00 64.86 64.63 3hhw h ILE 104 Cb 1.28 1.05 -0.10 0.00 -0.74 0.00 0.00 36.82 38.31 3hhw h ILE 104 CO 0.56 0.20 0.17 0.49 0.00 0.00 0.00 178.15 179.57 3hhw n PHE 105 N -4.73 0.90 -3.21 1.37 3.72 -1.26 -4.70 117.46 109.54 3hhw n PHE 105 Ca -0.02 -1.64 -0.45 0.00 -0.05 0.00 0.00 57.45 55.29 3hhw n PHE 105 Cb 0.15 -1.03 -0.01 0.00 -0.94 0.00 0.00 39.48 37.65 3hhw n PHE 105 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3hhw s ASP 106 N 0.98 7.05 0.00 4.37 1.01 -1.23 -4.24 116.67 124.61 3hhw s ASP 106 Ca 0.34 -3.07 0.00 0.00 0.71 0.00 0.00 52.55 50.54 3hhw s ASP 106 Cb 0.22 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.88 3hhw s ASP 106 CO -0.04 -0.54 0.00 0.00 0.21 0.00 0.00 175.17 174.79 3hhw n LEU 107 N 4.08 0.00 -0.10 1.23 -0.00 -1.26 -5.07 117.00 115.88 3hhw n LEU 107 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.25 3hhw n LEU 107 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 3hhw n LEU 107 CO 0.47 0.05 0.00 0.52 -0.00 0.00 0.00 177.39 178.43 3hhw n VAL 108 N 0.00 -0.21 -3.66 1.47 0.31 -1.26 -2.42 118.33 112.56 3hhw n VAL 108 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.97 3hhw n VAL 108 Cb 0.07 -0.26 -0.07 0.00 -0.91 0.00 0.00 33.84 32.67 3hhw n VAL 108 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3hhw s SER 109 N 0.00 6.33 0.31 4.52 0.15 -1.26 -2.60 113.70 121.15 3hhw s SER 109 Ca 0.00 0.38 0.11 0.00 0.70 0.00 0.00 55.95 57.14 3hhw s SER 109 Cb 0.00 -2.13 -0.06 0.00 -1.71 0.00 0.00 66.02 62.12 3hhw s SER 109 CO 0.00 0.17 -0.15 -0.76 1.20 0.00 0.00 173.24 173.70 3hhw s LEU 110 N 0.23 2.65 -0.19 3.45 1.02 0.48 -4.90 118.68 121.41 3hhw s LEU 110 Ca 0.12 -1.11 -0.05 0.00 0.02 0.00 0.00 54.13 53.12 3hhw s LEU 110 Cb -0.12 -1.04 -0.03 0.00 0.02 0.00 0.00 46.19 45.02 3hhw s LEU 110 CO 0.01 -0.08 0.00 -0.54 0.02 0.00 0.00 176.35 175.77 3hhw s LYS 111 N -3.56 3.66 0.75 1.70 -0.14 -1.26 -0.31 119.74 120.58 3hhw s LYS 111 Ca 0.31 -0.50 -0.11 0.00 -1.36 0.00 0.00 55.97 54.31 3hhw s LYS 111 Cb -0.01 -3.07 0.04 0.00 -1.68 0.00 0.00 37.83 33.11 3hhw s LYS 111 CO 0.15 0.08 1.08 0.00 -0.76 0.00 0.00 175.35 175.90 3hhw s ALA 112 N 0.83 2.42 -0.17 5.17 0.00 -1.20 -4.87 121.76 123.95 3hhw s ALA 112 Ca 0.01 0.04 0.17 0.00 0.00 0.00 0.00 51.96 52.18 3hhw s ALA 112 Cb -0.14 -3.18 0.43 0.00 0.00 0.00 0.00 23.12 20.23 3hhw s ALA 112 CO 0.02 -1.52 1.31 1.28 0.00 0.00 0.00 175.76 176.85 3hhw n LEU 113 N -3.33 3.25 -0.09 0.00 4.77 -1.26 -4.56 117.00 115.79 3hhw n LEU 113 Ca 0.08 -3.11 -0.10 0.00 -0.03 0.00 0.00 56.01 52.85 3hhw n LEU 113 Cb 0.54 -0.50 -0.16 0.00 -2.33 0.00 0.00 43.42 40.97 3hhw n LEU 113 CO 0.55 0.73 -1.09 -0.67 -1.33 0.00 0.00 177.39 175.59 3hhw n ASP 114 N -0.93 0.12 0.00 -1.43 2.03 -1.26 -5.04 116.55 110.04 3hhw n ASP 114 Ca 0.20 0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.55 3hhw n ASP 114 Cb 0.79 0.87 0.00 0.00 -0.72 0.00 0.00 41.12 42.06 3hhw n ASP 114 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hhw n GLY 115 N 1.73 2.06 2.97 0.27 0.00 -1.26 -4.63 105.19 106.32 3hhw n GLY 115 Ca -0.31 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 3hhw n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hhw s VAL 116 N 0.00 1.22 0.44 1.61 1.01 -1.26 -4.98 120.40 118.44 3hhw s VAL 116 Ca 0.00 -0.43 -0.24 0.00 0.00 0.00 0.00 61.98 61.31 3hhw s VAL 116 Cb 0.00 -1.18 -0.08 0.00 0.00 0.00 0.00 36.38 35.13 3hhw s VAL 116 CO 0.00 0.40 1.19 -0.76 0.00 0.00 0.00 175.10 175.92 3hhw s LEU 117 N 1.43 4.07 -0.19 3.92 1.43 -1.26 -4.85 118.68 123.23 3hhw s LEU 117 Ca 0.01 2.37 -0.18 0.00 -1.03 0.00 0.00 54.13 55.30 3hhw s LEU 117 Cb -0.13 -4.16 -0.08 0.00 0.03 0.00 0.00 46.19 41.85 3hhw s LEU 117 CO -0.06 -0.88 0.64 -2.65 0.23 0.00 0.00 176.35 173.62 3hhw n PRO 118 N -0.32 0.00 -0.26 1.29 -0.02 -1.26 -4.15 135.00 130.28 3hhw n PRO 118 Ca 0.06 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.47 3hhw n PRO 118 Cb 0.47 -0.57 -0.03 0.00 -0.02 0.00 0.00 33.50 33.35 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 1.70 0.06 -4.76 2.55 9.92 -1.26 -4.90 116.55 119.86 3hhw n ASP 119 Ca 0.13 0.04 -0.39 0.00 -0.53 0.00 0.00 54.79 54.04 3hhw n ASP 119 Cb -0.02 -0.16 -0.05 0.00 -0.64 0.00 0.00 41.12 40.25 3hhw n ASP 119 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3hhw s GLY 120 N 1.56 2.99 -0.19 0.44 0.00 -1.26 -4.94 107.32 105.92 3hhw s GLY 120 Ca 0.24 0.78 -0.32 0.00 0.00 0.00 0.00 44.72 45.42 3hhw s GLY 120 CO 0.09 1.33 2.10 -0.62 0.00 0.00 0.00 173.10 176.00 3hhw n VAL 121 N 0.93 0.41 -2.55 1.40 0.31 -1.26 -4.89 118.33 112.68 3hhw n VAL 121 Ca 0.00 -0.28 -0.24 0.00 -0.01 0.00 0.00 64.34 63.82 3hhw n VAL 121 Cb 0.47 -2.11 0.04 0.00 -0.91 0.00 0.00 33.84 31.32 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 6.54 5.33 -0.01 4.52 0.15 -1.26 -4.36 113.70 124.61 3hhw s SER 122 Ca 1.00 0.29 0.02 0.00 0.70 0.00 0.00 55.95 57.96 3hhw s SER 122 Cb -0.58 -1.21 -0.00 0.00 -1.71 0.00 0.00 66.02 62.52 3hhw s SER 122 CO 0.44 -1.16 -0.05 -0.62 1.20 0.00 0.00 173.24 173.06 3hhw s ASP 123 N -4.39 0.61 -0.11 5.45 2.15 -1.06 -4.94 116.67 114.38 3hhw s ASP 123 Ca 0.56 -0.09 -0.19 0.00 0.43 0.00 0.00 52.55 53.26 3hhw s ASP 123 Cb -0.10 -0.08 -0.27 0.00 -0.30 0.00 0.00 42.92 42.16 3hhw s ASP 123 CO 0.41 0.05 0.60 0.00 -0.17 0.00 0.00 175.17 176.06 3hhw h ALA 124 N 6.10 0.12 -0.80 3.66 0.00 -2.00 -3.41 119.26 122.94 3hhw h ALA 124 Ca -0.29 -0.98 -0.57 0.00 0.00 0.00 0.00 54.91 53.07 3hhw h ALA 124 Cb 1.19 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 19.30 3hhw h ALA 124 CO 0.50 0.66 1.78 -1.54 0.00 0.00 0.00 179.25 180.66 3hhw s SER 125 N -6.93 6.30 -0.12 0.00 1.04 -1.26 -4.88 113.70 107.86 3hhw s SER 125 Ca -0.20 -2.05 -0.04 0.00 0.48 0.00 0.00 55.95 54.15 3hhw s SER 125 Cb 0.03 -2.58 0.05 0.00 0.10 0.00 0.00 66.02 63.63 3hhw s SER 125 CO 0.75 -1.72 0.11 -0.13 0.98 0.00 0.00 173.24 173.23 3hhw s ARG 126 N 4.97 0.03 0.00 4.02 1.81 -1.26 -5.11 118.95 123.41 3hhw s ARG 126 Ca 0.57 0.21 0.00 0.00 -1.72 0.00 0.00 55.73 54.79 3hhw s ARG 126 Cb 0.02 -1.08 0.00 0.00 -0.45 0.00 0.00 34.95 33.43 3hhw s ARG 126 CO 0.06 -0.50 0.00 -2.37 -0.68 0.00 0.00 175.30 171.81 3hhw n THR 127 N 5.30 0.00 -1.94 0.02 5.66 -1.26 -4.95 114.28 117.10 3hhw n THR 127 Ca -0.05 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.71 3hhw n THR 127 Cb 0.50 -1.28 -0.07 0.00 -1.55 0.00 0.00 70.33 67.92 3hhw n THR 127 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 3hhw s SER 128 N -1.00 4.66 -0.01 1.09 0.01 -1.26 -4.47 113.70 112.73 3hhw s SER 128 Ca 0.00 -1.21 0.10 0.00 1.31 0.00 0.00 55.95 56.15 3hhw s SER 128 Cb 0.00 -2.58 -0.13 0.00 0.21 0.00 0.00 66.02 63.52 3hhw s SER 128 CO 0.00 -3.40 0.36 0.00 0.41 0.00 0.00 173.24 170.61 3hhw n ALA 129 N 15.63 2.98 -1.55 1.44 0.00 -1.26 -4.91 120.51 132.84 3hhw n ALA 129 Ca 0.43 -0.28 -0.32 0.00 0.00 0.00 0.00 53.44 53.27 3hhw n ALA 129 Cb 0.46 -0.37 0.04 0.00 0.00 0.00 0.00 19.45 19.58 3hhw n ALA 129 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3hhw s ASP 130 N -2.46 5.35 0.00 0.00 -4.77 -1.26 -2.75 116.67 110.79 3hhw s ASP 130 Ca 0.01 1.84 0.00 0.00 -3.30 0.00 0.00 52.55 51.10 3hhw s ASP 130 Cb 0.07 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.37 3hhw s ASP 130 CO 0.43 -1.46 0.00 0.47 0.70 0.00 0.00 175.17 175.31 3hhw n ASP 131 N -2.51 0.00 0.00 2.11 8.00 -1.26 -4.70 116.55 118.19 3hhw n ASP 131 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.59 3hhw n ASP 131 Cb 0.53 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 3hhw n ASP 131 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hhw n LYS 132 N -0.38 0.00 0.00 -1.24 4.01 -1.23 -4.92 118.16 114.40 3hhw n LYS 132 Ca 0.00 0.18 0.00 0.00 -0.51 0.00 0.00 58.31 57.98 3hhw n LYS 132 Cb 0.00 -0.75 0.00 0.00 -0.51 0.00 0.00 35.03 33.77 3hhw n LYS 132 CO 0.00 0.00 0.00 -2.67 -1.11 0.00 0.00 177.40 173.62 3hhw n TRP 133 N -1.03 0.00 -0.12 2.13 4.27 -1.17 -4.81 117.44 116.71 3hhw n TRP 133 Ca 0.00 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.49 3hhw n TRP 133 Cb 0.00 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 29.92 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 0.69 -0.84 5.67 5.85 -1.86 -2.70 115.31 122.11 3hhw h LEU 134 Ca 0.00 -0.38 -0.10 0.00 0.84 0.00 0.00 57.88 58.25 3hhw h LEU 134 Cb 0.37 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3hhw h LEU 134 CO 0.00 0.91 -0.46 -0.65 -0.34 0.00 0.00 178.44 177.90 3hhw h PRO 135 N 0.46 0.00 -0.06 5.25 0.11 -1.90 -3.03 132.00 132.83 3hhw h PRO 135 Ca 0.08 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.12 3hhw h PRO 135 Cb 0.62 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 3hhw h PRO 135 CO 0.04 0.46 -0.31 1.25 -0.21 0.00 0.00 178.00 179.23 3hhw h LEU 136 N 0.00 0.11 -0.69 2.35 6.46 -1.85 -2.94 115.31 118.75 3hhw h LEU 136 Ca -0.00 -0.03 -0.14 0.00 -0.12 0.00 0.00 57.88 57.59 3hhw h LEU 136 Cb 0.99 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.88 3hhw h LEU 136 CO 0.06 0.42 -0.48 0.22 -0.62 0.00 0.00 178.44 178.04 3hhw h TYR 137 N 0.10 0.52 -0.11 1.25 3.20 -1.36 -3.09 116.97 117.48 3hhw h TYR 137 Ca 0.01 -0.16 -0.16 0.00 3.14 0.00 0.00 58.73 61.56 3hhw h TYR 137 Cb 0.60 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 3hhw h TYR 137 CO 0.00 0.82 -0.62 -0.07 -1.64 0.00 0.00 178.16 176.66 3hhw h LEU 138 N 0.34 0.44 -0.60 2.82 3.38 -1.54 -3.16 115.31 116.99 3hhw h LEU 138 Ca 0.02 -0.25 -0.15 0.00 0.09 0.00 0.00 57.88 57.59 3hhw h LEU 138 Cb 0.97 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3hhw h LEU 138 CO 0.08 0.95 -0.50 -0.07 0.09 0.00 0.00 178.44 178.99 3hhw h LEU 139 N 0.28 0.55 0.00 1.67 3.38 -1.56 -3.09 115.31 116.55 3hhw h LEU 139 Ca -0.01 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3hhw h LEU 139 Cb 1.15 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3hhw h LEU 139 CO 0.10 0.96 0.00 0.61 0.09 0.00 0.00 178.44 180.21 3hhw n GLY 140 N 0.15 -0.89 0.90 0.83 0.00 -1.17 -2.97 105.19 102.05 3hhw n GLY 140 Ca -0.03 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.04 3hhw n GLY 140 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hhw n LEU 141 N -0.71 2.78 0.06 0.99 4.77 -1.17 -3.63 117.00 120.10 3hhw n LEU 141 Ca 0.09 -1.02 -0.11 0.00 -0.03 0.00 0.00 56.01 54.94 3hhw n LEU 141 Cb 0.04 -0.07 -0.13 0.00 -2.33 0.00 0.00 43.42 40.93 3hhw n LEU 141 CO 0.07 0.51 -0.06 0.22 -1.33 0.00 0.00 177.39 176.80 3hhw h TYR 142 N 4.09 0.20 -0.27 -1.77 3.20 -1.73 -3.05 116.97 117.64 3hhw h TYR 142 Ca 0.00 -0.15 -0.04 0.00 3.14 0.00 0.00 58.73 61.69 3hhw h TYR 142 Cb 0.88 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 3hhw h TYR 142 CO 0.07 1.13 0.03 -0.09 -1.64 0.00 0.00 178.16 177.67 3hhw h ARG 143 N 0.03 0.45 0.00 1.82 2.43 -1.77 -3.07 114.38 114.28 3hhw h ARG 143 Ca -0.11 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 3hhw h ARG 143 Cb 1.89 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 31.39 3hhw h ARG 143 CO 0.15 0.59 -0.06 0.28 -1.51 0.00 0.00 179.97 179.41 3hhw h VAL 144 N 0.26 0.12 0.00 0.20 2.07 -1.70 -3.22 116.25 113.97 3hhw h VAL 144 Ca 0.08 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.62 3hhw h VAL 144 Cb 0.36 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3hhw h VAL 144 CO 0.01 0.06 0.00 0.61 0.02 0.00 0.00 177.57 178.27 3hhw n GLY 145 N 0.74 -0.94 0.00 2.17 0.00 -1.15 -3.26 105.19 102.75 3hhw n GLY 145 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3hhw n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hhw n ARG 146 N -0.67 4.68 -3.87 1.61 5.12 -1.22 -4.35 116.66 117.97 3hhw n ARG 146 Ca 0.08 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.64 3hhw n ARG 146 Cb 0.03 -0.54 -0.12 0.00 -1.16 0.00 0.00 32.46 30.67 3hhw n ARG 146 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3hhw s THR 147 N -1.04 4.26 -0.30 0.55 -4.23 -1.20 -4.95 115.64 108.73 3hhw s THR 147 Ca 0.00 -0.20 0.09 0.00 -1.18 0.00 0.00 61.69 60.40 3hhw s THR 147 Cb 0.00 -2.97 -0.10 0.00 1.34 0.00 0.00 72.50 70.77 3hhw s THR 147 CO 0.00 0.38 0.32 1.67 -0.54 0.00 0.00 174.62 176.45 3hhw n GLN 148 N 4.58 3.14 -1.35 3.99 7.27 -1.26 -4.69 117.38 129.06 3hhw n GLN 148 Ca -0.16 -0.02 -0.29 0.00 0.07 0.00 0.00 57.00 56.59 3hhw n GLN 148 Cb 0.52 -0.99 0.18 0.00 2.41 0.00 0.00 30.24 32.36 3hhw n GLN 148 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 3hhw s MET 149 N -2.02 0.25 0.00 3.69 -1.94 -1.26 -4.86 119.30 113.16 3hhw s MET 149 Ca 0.02 0.19 0.00 0.00 -1.71 0.00 0.00 55.69 54.18 3hhw s MET 149 Cb 0.06 -1.75 0.00 0.00 2.01 0.00 0.00 34.83 35.16 3hhw s MET 149 CO 0.36 -2.78 0.28 -2.30 -0.01 0.00 0.00 175.02 170.56 3hhw n PRO 150 N -4.15 0.21 -0.01 2.03 -0.02 -1.26 -2.60 135.00 129.20 3hhw n PRO 150 Ca 0.09 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.58 3hhw n PRO 150 Cb 0.59 -1.39 0.02 0.00 -0.02 0.00 0.00 33.50 32.70 3hhw n PRO 150 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3hhw n GLU 151 N 1.18 0.31 0.16 -0.52 0.28 -1.26 -4.56 120.64 116.22 3hhw n GLU 151 Ca 0.00 -0.94 0.04 0.00 -0.16 0.00 0.00 57.16 56.10 3hhw n GLU 151 Cb 0.11 -1.07 0.14 0.00 1.43 0.00 0.00 31.44 32.05 3hhw n GLU 151 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 177.13 177.07 3hhw h TYR 152 N 0.70 0.00 -0.81 -1.84 -0.00 -1.77 -2.67 116.97 110.57 3hhw h TYR 152 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 58.73 58.25 3hhw h TYR 152 Cb 0.25 0.00 -0.24 0.00 0.00 0.00 0.00 36.73 36.74 3hhw h TYR 152 CO 0.02 0.44 0.61 0.54 -0.00 0.00 0.00 178.16 179.77 3hhw n ARG 153 N -3.31 2.16 0.00 0.10 1.74 -1.26 -3.16 116.66 112.93 3hhw n ARG 153 Ca 0.01 -2.53 0.00 0.00 -0.77 0.00 0.00 57.85 54.56 3hhw n ARG 153 Cb 0.65 -1.99 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 3hhw n ARG 153 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3hhw n LYS 154 N -0.68 2.34 -0.07 5.56 4.81 -1.05 -4.67 118.16 124.40 3hhw n LYS 154 Ca 0.50 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.89 3hhw n LYS 154 Cb 1.11 -0.58 -0.15 0.00 0.02 0.00 0.00 35.03 35.43 3hhw n LYS 154 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3hhw n LYS 155 N -0.55 0.87 0.00 1.64 5.02 -1.03 -4.14 118.16 119.97 3hhw n LYS 155 Ca 0.00 -0.05 0.14 0.00 -2.02 0.00 0.00 58.31 56.38 3hhw n LYS 155 Cb 0.05 -1.48 0.65 0.00 -0.02 0.00 0.00 35.03 34.23 3hhw n LYS 155 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3hhw n LEU 156 N -2.58 0.00 0.15 -0.35 7.94 -1.19 -3.48 117.00 117.49 3hhw n LEU 156 Ca -0.24 0.46 -0.14 0.00 -1.11 0.00 0.00 56.01 54.97 3hhw n LEU 156 Cb 0.98 -0.46 -0.08 0.00 0.53 0.00 0.00 43.42 44.39 3hhw n LEU 156 CO 0.40 0.00 0.77 0.24 -1.11 0.00 0.00 177.39 177.69 3hhw h MET 157 N 0.00 -0.30 0.00 1.96 2.86 -1.83 -3.11 114.93 114.52 3hhw h MET 157 Ca 0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3hhw h MET 157 Cb 0.46 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.19 3hhw h MET 157 CO 0.00 -0.17 -0.14 -0.25 1.06 0.00 0.00 176.91 177.41 3hhw n ASP 158 N -5.20 0.54 0.20 1.22 10.43 -1.24 -3.44 116.55 119.06 3hhw n ASP 158 Ca -0.09 0.41 0.05 0.00 2.57 0.00 0.00 54.79 57.73 3hhw n ASP 158 Cb 0.16 -0.47 0.43 0.00 1.84 0.00 0.00 41.12 43.07 3hhw n ASP 158 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 3hhw h GLY 159 N 4.69 0.00 -3.95 0.44 0.00 -1.57 -2.21 103.07 100.46 3hhw h GLY 159 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.68 3hhw h GLY 159 CO 0.00 0.00 0.72 1.04 0.00 0.00 0.00 176.54 178.30 3hhw n LEU 160 N -3.92 7.36 0.00 3.11 4.77 -1.21 -4.01 117.00 123.10 3hhw n LEU 160 Ca -0.02 -4.24 0.00 0.00 -0.03 0.00 0.00 56.01 51.72 3hhw n LEU 160 Cb 0.39 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 3hhw n LEU 160 CO 0.37 1.47 -0.06 0.41 -1.33 0.00 0.00 177.39 178.25 3hhw n THR 161 N -0.93 0.00 0.11 -5.08 -1.04 -0.88 -4.73 114.28 101.72 3hhw n THR 161 Ca 0.61 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.60 3hhw n THR 161 Cb 0.80 -0.10 0.03 0.00 -1.82 0.00 0.00 70.33 69.24 3hhw n THR 161 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 3hhw h ASN 162 N 0.00 0.00 1.66 8.00 -1.24 -1.60 -3.14 115.58 119.26 3hhw h ASN 162 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3hhw h ASN 162 Cb 0.11 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.16 3hhw h ASN 162 CO 0.00 0.73 0.00 0.06 -1.29 0.00 0.00 177.43 176.93 3hhw h GLN 163 N 0.00 0.00 0.00 6.67 -0.00 -1.85 -3.14 115.11 116.79 3hhw h GLN 163 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 3hhw h GLN 163 Cb 1.44 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.92 3hhw h GLN 163 CO 0.09 0.00 -0.35 0.00 -0.00 0.00 0.00 178.83 178.57 3hhw h LYS 165 N 0.00 0.00 0.00 0.00 1.57 -1.56 -3.36 116.57 113.22 3hhw h LYS 165 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hhw h LYS 165 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3hhw h LYS 165 CO 0.00 0.15 0.00 -1.33 -0.57 0.00 0.00 179.45 177.70 3hhw n MET 166 N -4.17 0.00 0.11 3.15 2.81 -1.25 -5.01 117.12 112.76 3hhw n MET 166 Ca -0.02 0.35 0.00 0.00 -1.81 0.00 0.00 57.70 56.22 3hhw n MET 166 Cb 0.23 -0.84 0.00 0.00 -0.71 0.00 0.00 33.22 31.89 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 -2.05 0.40 -4.34 2.02 -5.35 -1.26 -5.12 119.36 103.66 3hhw n ILE 167 Ca 0.00 0.13 -0.18 0.00 -0.27 0.00 0.00 62.75 62.43 3hhw n ILE 167 Cb 0.00 -0.84 -0.10 0.00 -1.74 0.00 0.00 39.64 36.96 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 -5.27 2.08 -0.45 7.28 0.01 -1.26 -5.03 114.94 112.30 3hhw s ASN 168 Ca 0.00 -1.17 -0.13 0.00 -0.71 0.00 0.00 52.86 50.85 3hhw s ASN 168 Cb 0.00 -0.04 0.07 0.00 0.41 0.00 0.00 41.25 41.69 3hhw s ASN 168 CO 0.00 -0.42 0.35 -1.61 -1.51 0.00 0.00 177.10 173.90 3hhw s GLU 169 N -3.80 2.87 -0.02 -0.60 2.02 -1.26 -3.93 118.70 113.97 3hhw s GLU 169 Ca 0.26 -1.36 0.02 0.00 0.02 0.00 0.00 54.97 53.91 3hhw s GLU 169 Cb 0.04 -4.01 0.00 0.00 0.10 0.00 0.00 34.13 30.26 3hhw s GLU 169 CO 0.08 -0.99 -0.08 -0.65 0.02 0.00 0.00 175.26 173.65 3hhw s GLN 170 N 1.58 0.82 -0.07 1.61 -0.21 -1.26 -5.11 119.66 117.01 3hhw s GLN 170 Ca 0.04 -0.25 0.05 0.00 0.02 0.00 0.00 55.36 55.21 3hhw s GLN 170 Cb -0.24 -0.78 -0.00 0.00 1.00 0.00 0.00 33.01 32.99 3hhw s GLN 170 CO 0.05 0.09 -0.22 -0.06 -2.12 0.00 0.00 175.29 173.04 3hhw s PHE 171 N 0.20 2.24 -0.13 0.91 0.40 -1.26 -4.98 117.98 115.36 3hhw s PHE 171 Ca -0.03 -0.75 -0.13 0.00 -0.60 0.00 0.00 56.93 55.42 3hhw s PHE 171 Cb -0.08 -1.49 -0.05 0.00 0.51 0.00 0.00 43.02 41.90 3hhw s PHE 171 CO 0.00 -0.27 -0.27 0.39 0.70 0.00 0.00 175.22 175.77 3hhw n GLU 172 N 3.22 0.41 -1.99 0.44 4.71 -1.26 -5.04 120.64 121.14 3hhw n GLU 172 Ca -0.18 0.17 -0.32 0.00 -0.01 0.00 0.00 57.16 56.81 3hhw n GLU 172 Cb 0.52 -1.22 0.01 0.00 -1.01 0.00 0.00 31.44 29.75 3hhw n GLU 172 CO 0.00 0.00 0.00 -2.14 0.09 0.00 0.00 177.13 175.08 3hhw s PRO 173 N -2.64 3.43 0.00 3.49 0.02 -1.25 -4.40 135.00 133.65 3hhw s PRO 173 Ca -0.23 1.00 0.00 0.00 0.02 0.00 0.00 61.00 61.79 3hhw s PRO 173 Cb 0.04 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.51 3hhw s PRO 173 CO 0.34 -0.70 0.00 1.28 -0.33 0.00 0.00 177.00 177.58 3hhw n LEU 174 N -2.31 0.00 -0.09 -5.54 4.77 -1.26 -5.00 117.00 107.58 3hhw n LEU 174 Ca 0.07 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 3hhw n LEU 174 Cb 0.53 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 3hhw n LEU 174 CO 0.51 -0.42 -0.37 0.58 -1.33 0.00 0.00 177.39 176.35 3hhw h VAL 175 N -0.36 0.51 0.30 4.08 2.07 -1.97 -3.29 116.25 117.59 3hhw h VAL 175 Ca 0.00 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 65.89 3hhw h VAL 175 Cb 0.00 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3hhw h VAL 175 CO 0.00 0.17 -0.14 -0.65 0.02 0.00 0.00 177.57 176.97 3hhw h PRO 176 N -1.00 -0.38 -1.04 1.57 0.11 -2.06 -3.32 132.00 125.87 3hhw h PRO 176 Ca -0.16 0.03 -0.61 0.00 0.11 0.00 0.00 66.00 65.37 3hhw h PRO 176 Cb 0.87 0.09 -0.28 0.00 0.11 0.00 0.00 31.00 31.79 3hhw h PRO 176 CO -0.10 -0.09 0.78 0.39 -0.21 0.00 0.00 178.00 178.78 3hhw n GLU 177 N -5.05 2.49 0.07 1.05 1.02 -1.26 -4.56 120.64 114.41 3hhw n GLU 177 Ca -0.07 -3.05 -0.08 0.00 -0.02 0.00 0.00 57.16 53.93 3hhw n GLU 177 Cb 0.24 -2.20 0.04 0.00 -0.02 0.00 0.00 31.44 29.51 3hhw n GLU 177 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3hhw h GLY 178 N 1.83 0.31 0.15 0.62 0.00 -1.67 -3.29 103.07 101.02 3hhw h GLY 178 Ca 0.58 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3hhw h GLY 178 CO 1.40 0.42 -0.89 -2.13 0.00 0.00 0.00 176.54 175.33 3hhw n ARG 179 N -3.78 0.04 -0.00 4.80 0.63 -1.26 -4.36 116.66 112.73 3hhw n ARG 179 Ca -0.04 -0.03 0.07 0.00 -0.92 0.00 0.00 57.85 56.93 3hhw n ARG 179 Cb 0.72 -1.50 0.41 0.00 0.45 0.00 0.00 32.46 32.55 3hhw n ARG 179 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3hhw n ASP 180 N -1.45 0.06 0.00 6.15 8.00 -1.24 -3.48 116.55 124.60 3hhw n ASP 180 Ca 0.04 -1.57 0.00 0.00 0.71 0.00 0.00 54.79 53.98 3hhw n ASP 180 Cb 0.34 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 3hhw n ASP 180 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3hhw n ILE 181 N -0.68 0.00 -0.05 0.53 -5.35 -1.26 -4.75 119.36 107.80 3hhw n ILE 181 Ca 0.11 -0.45 -0.08 0.00 -0.27 0.00 0.00 62.75 62.06 3hhw n ILE 181 Cb 0.06 0.95 -0.14 0.00 -1.74 0.00 0.00 39.64 38.77 3hhw n ILE 181 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3hhw n PHE 182 N -1.04 0.60 0.37 4.28 3.72 -1.23 -4.19 117.46 119.97 3hhw n PHE 182 Ca 0.00 0.21 0.13 0.00 -0.05 0.00 0.00 57.45 57.75 3hhw n PHE 182 Cb 0.00 -1.09 0.54 0.00 -0.94 0.00 0.00 39.48 37.99 3hhw n PHE 182 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3hhw h ASP 183 N 0.00 0.00 -0.21 4.37 5.19 -1.76 -2.20 116.42 121.81 3hhw h ASP 183 Ca -0.37 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 55.89 3hhw h ASP 183 Cb 2.04 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.54 3hhw h ASP 183 CO 0.06 0.00 -0.42 0.58 -3.12 0.00 0.00 179.24 176.33 3hhw h VAL 184 N 0.00 1.29 -0.66 -1.35 2.07 -1.87 -3.31 116.25 112.42 3hhw h VAL 184 Ca 0.00 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 65.89 3hhw h VAL 184 Cb 0.41 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 3hhw h VAL 184 CO 0.00 0.52 0.31 -0.50 0.02 0.00 0.00 177.57 177.92 3hhw h TRP 185 N 0.62 0.93 0.00 1.57 4.06 -1.60 -2.09 115.95 119.43 3hhw h TRP 185 Ca 0.04 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.96 3hhw h TRP 185 Cb 0.98 -0.29 0.00 0.00 -1.00 0.00 0.00 29.16 28.85 3hhw h TRP 185 CO 0.05 0.68 0.00 0.78 -3.56 0.00 0.00 178.44 176.39 3hhw h GLY 186 N 1.01 0.00 1.71 1.49 0.00 -1.65 -2.21 103.07 103.41 3hhw h GLY 186 Ca 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.46 3hhw h GLY 186 CO -0.03 0.00 -0.69 3.43 0.00 0.00 0.00 176.54 179.25 3hhw h ASN 187 N 0.00 0.00 -3.56 0.19 -0.26 -1.53 -3.44 115.58 106.97 3hhw h ASN 187 Ca 0.00 0.00 -0.56 0.00 -0.56 0.00 0.00 56.30 55.18 3hhw h ASN 187 Cb 0.22 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 37.42 3hhw h ASN 187 CO 0.00 0.44 0.93 -0.62 -1.06 0.00 0.00 177.43 177.12 3hhw s ASP 188 N -6.21 6.66 0.44 5.81 2.15 -0.83 -4.92 116.67 119.77 3hhw s ASP 188 Ca 0.02 0.65 0.15 0.00 0.43 0.00 0.00 52.55 53.81 3hhw s ASP 188 Cb 0.08 -2.55 0.99 0.00 -0.30 0.00 0.00 42.92 41.14 3hhw s ASP 188 CO 0.76 -1.19 1.96 0.77 -0.17 0.00 0.00 175.17 177.30 3hhw h SER 189 N 9.16 0.00 -0.19 -0.34 4.64 -1.85 -2.37 113.55 122.60 3hhw h SER 189 Ca -0.23 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.98 3hhw h SER 189 Cb 1.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 3hhw h SER 189 CO 1.10 0.22 -0.24 0.78 -0.87 0.00 0.00 176.83 177.82 3hhw h ASN 190 N 0.00 0.66 -0.47 4.97 2.35 -1.92 -2.06 115.58 119.12 3hhw h ASN 190 Ca -0.00 -0.23 -0.13 0.00 -0.55 0.00 0.00 56.30 55.39 3hhw h ASN 190 Cb 0.40 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 3hhw h ASN 190 CO 0.03 0.89 -0.19 0.22 -1.65 0.00 0.00 177.43 176.72 3hhw h TYR 191 N 0.57 1.10 -0.15 1.19 3.20 -1.72 -1.44 116.97 119.72 3hhw h TYR 191 Ca 0.08 -0.26 -0.07 0.00 3.14 0.00 0.00 58.73 61.61 3hhw h TYR 191 Cb 0.72 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 3hhw h TYR 191 CO 0.03 1.08 -0.24 1.79 -1.64 0.00 0.00 178.16 179.18 3hhw h THR 192 N 0.81 1.24 0.00 1.81 1.35 -1.46 -2.32 112.91 114.33 3hhw h THR 192 Ca 0.11 -1.11 -0.11 0.00 -0.55 0.00 0.00 66.41 64.76 3hhw h THR 192 Cb 0.77 1.39 -0.02 0.00 -1.73 0.00 0.00 68.15 68.56 3hhw h THR 192 CO 0.06 0.34 -0.51 0.11 -0.25 0.00 0.00 175.52 175.27 3hhw h LYS 193 N 0.25 0.00 0.18 4.72 1.57 -1.13 -2.73 116.57 119.42 3hhw h LYS 193 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3hhw h LYS 193 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3hhw h LYS 193 CO 0.04 0.51 -0.08 0.82 -0.57 0.00 0.00 179.45 180.16 3hhw h ILE 194 N 0.00 0.86 0.00 1.86 2.04 -0.76 -2.62 117.51 118.89 3hhw h ILE 194 Ca -0.01 -1.04 -0.04 0.00 1.00 0.00 0.00 64.86 64.77 3hhw h ILE 194 Cb 0.98 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 3hhw h ILE 194 CO 0.07 0.21 -0.18 -0.37 0.00 0.00 0.00 178.15 177.88 3hhw h VAL 195 N -0.82 0.84 0.08 1.67 -1.51 -1.51 -1.74 116.25 113.28 3hhw h VAL 195 Ca -0.02 -0.68 -0.23 0.00 -1.23 0.00 0.00 66.70 64.54 3hhw h VAL 195 Cb 0.52 1.40 0.02 0.00 -2.13 0.00 0.00 31.29 31.11 3hhw h VAL 195 CO 0.04 0.17 -0.93 0.00 -1.23 0.00 0.00 177.57 175.62 3hhw h ALA 196 N 1.82 0.00 -0.34 5.19 0.00 -1.58 -2.69 119.26 121.66 3hhw h ALA 196 Ca -0.00 -0.69 -0.08 0.00 0.00 0.00 0.00 54.91 54.14 3hhw h ALA 196 Cb 0.39 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3hhw h ALA 196 CO 0.02 0.50 -0.14 0.00 0.00 0.00 0.00 179.25 179.64 3hhw h ALA 197 N 0.25 1.12 -0.01 0.00 0.00 -1.18 -0.31 119.26 119.13 3hhw h ALA 197 Ca -0.14 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 3hhw h ALA 197 Cb 1.65 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 3hhw h ALA 197 CO 0.18 0.55 0.00 0.28 0.00 0.00 0.00 179.25 180.26 3hhw h VAL 198 N 0.55 1.22 -0.68 0.00 2.07 -1.40 -1.55 116.25 116.46 3hhw h VAL 198 Ca 0.10 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 3hhw h VAL 198 Cb 0.56 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 3hhw h VAL 198 CO 0.04 0.17 0.29 -0.78 0.02 0.00 0.00 177.57 177.31 3hhw h ASP 199 N -0.25 0.90 -0.26 0.57 3.58 -1.31 -2.40 116.42 117.24 3hhw h ASP 199 Ca 0.00 -0.11 -0.12 0.00 0.42 0.00 0.00 57.03 57.22 3hhw h ASP 199 Cb 0.27 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 3hhw h ASP 199 CO 0.00 0.79 -0.26 -0.03 -2.88 0.00 0.00 179.24 176.86 3hhw h MET 200 N 0.97 0.75 0.04 0.28 4.05 -1.03 -2.61 114.93 117.39 3hhw h MET 200 Ca 0.23 -0.32 -0.00 0.00 -0.28 0.00 0.00 59.70 59.33 3hhw h MET 200 Cb 0.15 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.93 3hhw h MET 200 CO -0.02 0.93 -0.02 0.35 0.23 0.00 0.00 176.91 178.38 3hhw h PHE 201 N 0.65 -0.05 0.00 1.39 3.57 -0.82 -3.05 116.94 118.63 3hhw h PHE 201 Ca 0.08 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3hhw h PHE 201 Cb 0.77 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.53 3hhw h PHE 201 CO 0.04 0.16 0.00 1.19 -2.23 0.00 0.00 178.31 177.47 3hhw n PHE 202 N -5.02 0.00 0.15 0.41 3.72 -0.95 -2.03 117.46 113.74 3hhw n PHE 202 Ca -0.08 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.33 3hhw n PHE 202 Cb 0.14 -0.48 0.19 0.00 -0.94 0.00 0.00 39.48 38.38 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 0.00 1.38 2.76 -1.36 -3.00 115.15 114.93 3hhw h HIS 203 Ca 0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 3hhw h HIS 203 Cb 0.43 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.39 3hhw h HIS 203 CO 0.00 0.55 -0.05 1.98 -1.30 0.00 0.00 177.93 179.11 3hhw h MET 204 N 0.00 0.00 -3.30 5.26 1.85 -1.37 -3.41 114.93 113.96 3hhw h MET 204 Ca -0.01 0.00 -0.76 0.00 -0.61 0.00 0.00 59.70 58.33 3hhw h MET 204 Cb 1.13 0.00 -0.32 0.00 0.43 0.00 0.00 31.60 32.84 3hhw h MET 204 CO 0.07 0.89 0.25 1.19 -0.40 0.00 0.00 176.91 178.91 3hhw n PHE 205 N -4.62 4.37 0.09 1.39 3.72 -0.86 -4.84 117.46 116.72 3hhw n PHE 205 Ca -0.10 -3.82 -0.04 0.00 -0.05 0.00 0.00 57.45 53.44 3hhw n PHE 205 Cb 0.44 -1.37 0.01 0.00 -0.94 0.00 0.00 39.48 37.61 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 6.09 0.00 0.00 -1.08 1.57 -1.76 -3.25 116.57 118.13 3hhw h LYS 206 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3hhw h LYS 206 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3hhw h LYS 206 CO 1.00 0.83 0.00 1.63 -0.57 0.00 0.00 179.45 182.33 3hhw n LYS 207 N -3.53 0.23 -2.47 3.15 5.02 -1.26 -4.76 118.16 114.54 3hhw n LYS 207 Ca -0.00 0.04 -0.37 0.00 -2.02 0.00 0.00 58.31 55.95 3hhw n LYS 207 Cb 0.80 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.28 3hhw n LYS 207 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3hhw s HIS 208 N -2.74 3.20 -0.12 2.13 2.46 -1.23 -4.95 115.29 114.04 3hhw s HIS 208 Ca 0.20 1.62 0.30 0.00 0.47 0.00 0.00 55.06 57.66 3hhw s HIS 208 Cb 0.18 -3.20 1.14 0.00 -0.13 0.00 0.00 32.58 30.56 3hhw s HIS 208 CO 0.44 -0.83 1.88 1.05 -2.47 0.00 0.00 174.74 174.80 3hhw h GLU 209 N 2.52 0.00 -0.18 2.88 4.11 -1.91 -2.57 114.58 119.43 3hhw h GLU 209 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3hhw h GLU 209 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3hhw h GLU 209 CO 0.62 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.70 3hhw h ALA 211 N 3.46 1.61 -0.05 0.00 0.00 -1.75 -2.78 119.26 119.76 3hhw h ALA 211 Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3hhw h ALA 211 Cb 0.27 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3hhw h ALA 211 CO 0.00 0.21 0.42 0.77 0.00 0.00 0.00 179.25 180.65 3hhw h SER 212 N 0.00 0.00 -0.02 0.00 0.02 -1.83 0.24 113.55 111.96 3hhw h SER 212 Ca -0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3hhw h SER 212 Cb 0.32 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 3hhw h SER 212 CO 0.02 0.00 0.07 -0.26 -1.14 0.00 0.00 176.83 175.52 3hhw h PHE 213 N 0.00 0.00 0.00 3.45 -1.00 -1.82 -2.82 116.94 114.75 3hhw h PHE 213 Ca 0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3hhw h PHE 213 Cb 0.87 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.43 3hhw h PHE 213 CO 0.00 0.00 0.00 0.54 -1.61 0.00 0.00 178.31 177.24 3hhw n ARG 214 N -3.33 0.46 -0.30 1.51 1.74 0.07 -3.45 116.66 113.36 3hhw n ARG 214 Ca -0.02 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.03 3hhw n ARG 214 Cb 0.14 -1.43 0.09 0.00 -1.02 0.00 0.00 32.46 30.24 3hhw n ARG 214 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 3hhw h TYR 215 N 0.00 1.02 -0.32 -1.55 3.20 -1.75 -2.07 116.97 115.50 3hhw h TYR 215 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3hhw h TYR 215 Cb 0.00 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 37.93 3hhw h TYR 215 CO 0.00 0.62 0.00 0.41 -1.64 0.00 0.00 178.16 177.55 3hhw n GLY 216 N -1.33 2.36 0.00 1.82 0.00 -1.22 -4.51 105.19 102.31 3hhw n GLY 216 Ca 0.09 -0.38 0.03 0.00 0.00 0.00 0.00 46.02 45.76 3hhw n GLY 216 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hhw n THR 217 N 0.57 0.00 0.18 2.61 -2.24 -1.17 -4.01 114.28 110.22 3hhw n THR 217 Ca 0.11 -0.24 0.04 0.00 -2.27 0.00 0.00 64.05 61.69 3hhw n THR 217 Cb 0.41 0.63 0.33 0.00 -2.10 0.00 0.00 70.33 69.61 3hhw n THR 217 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3hhw h ILE 218 N 0.00 1.10 0.00 2.28 2.10 -1.60 -2.77 117.51 118.62 3hhw h ILE 218 Ca 0.00 -1.54 0.00 0.00 1.08 0.00 0.00 64.86 64.40 3hhw h ILE 218 Cb 0.23 1.88 0.00 0.00 -1.09 0.00 0.00 36.82 37.84 3hhw h ILE 218 CO 0.00 0.41 0.00 -0.37 -1.08 0.00 0.00 178.15 177.11 3hhw h VAL 219 N 0.00 0.00 -0.46 2.19 -1.51 -1.85 -2.10 116.25 112.51 3hhw h VAL 219 Ca -0.00 -0.20 -0.13 0.00 -1.23 0.00 0.00 66.70 65.14 3hhw h VAL 219 Cb 0.84 1.15 -0.01 0.00 -2.13 0.00 0.00 31.29 31.14 3hhw h VAL 219 CO 0.05 0.00 -0.22 0.77 -1.23 0.00 0.00 177.57 176.94 3hhw h SER 220 N 0.00 1.00 -1.89 4.19 4.64 -1.82 -3.38 113.55 116.29 3hhw h SER 220 Ca 0.00 -0.40 -0.60 0.00 -0.47 0.00 0.00 61.79 60.32 3hhw h SER 220 Cb 0.20 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3hhw h SER 220 CO 0.00 1.18 1.39 -1.14 -0.87 0.00 0.00 176.83 177.38 3hhw n ARG 221 N -4.14 1.98 -2.05 4.77 0.63 -0.79 -0.72 116.66 116.34 3hhw n ARG 221 Ca -0.00 0.61 -0.13 0.00 -0.92 0.00 0.00 57.85 57.41 3hhw n ARG 221 Cb 0.46 -2.98 -0.02 0.00 0.45 0.00 0.00 32.46 30.37 3hhw n ARG 221 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3hhw n PHE 222 N 10.02 -0.48 -0.27 -0.14 3.72 -0.91 -4.95 117.46 124.45 3hhw n PHE 222 Ca 0.29 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.75 3hhw n PHE 222 Cb 0.38 -2.72 0.20 0.00 -0.94 0.00 0.00 39.48 36.40 3hhw n PHE 222 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 3hhw h LYS 223 N 0.00 0.49 -1.11 -1.08 5.09 -1.06 -2.54 116.57 116.37 3hhw h LYS 223 Ca -0.30 -0.03 -0.67 0.00 0.09 0.00 0.00 60.65 59.75 3hhw h LYS 223 Cb 1.14 -0.11 -0.32 0.00 0.10 0.00 0.00 32.23 33.04 3hhw h LYS 223 CO 0.37 0.32 0.55 -0.25 -2.09 0.00 0.00 179.45 178.35 3hhw n ASP 224 N -4.96 7.10 -2.27 7.07 9.92 -1.26 -4.57 116.55 127.58 3hhw n ASP 224 Ca 0.15 -3.79 -0.02 0.00 -0.53 0.00 0.00 54.79 50.61 3hhw n ASP 224 Cb 0.42 -0.86 0.05 0.00 -0.64 0.00 0.00 41.12 40.09 3hhw n ASP 224 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hhw h ALA 226 N 2.06 1.14 -0.42 0.00 0.00 -1.73 -1.64 119.26 118.66 3hhw h ALA 226 Ca -0.08 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 3hhw h ALA 226 Cb 1.45 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3hhw h ALA 226 CO 0.23 0.10 -0.24 0.00 0.00 0.00 0.00 179.25 179.34 3hhw h ALA 227 N 1.92 0.77 -0.06 0.00 0.00 -1.56 -0.37 119.26 119.97 3hhw h ALA 227 Ca -0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 3hhw h ALA 227 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3hhw h ALA 227 CO 0.01 0.66 -0.49 -0.07 0.00 0.00 0.00 179.25 179.36 3hhw h LEU 228 N 0.75 0.15 -0.60 0.00 3.38 -1.50 -2.09 115.31 115.40 3hhw h LEU 228 Ca 0.10 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3hhw h LEU 228 Cb 0.79 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3hhw h LEU 228 CO 0.07 0.62 0.15 0.00 0.09 0.00 0.00 178.44 179.37 3hhw h ALA 229 N 1.39 0.79 -0.53 1.53 0.00 -1.12 -0.85 119.26 120.46 3hhw h ALA 229 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3hhw h ALA 229 Cb 0.91 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3hhw h ALA 229 CO 0.07 0.50 0.22 1.15 0.00 0.00 0.00 179.25 181.19 3hhw h THR 230 N 0.88 1.21 0.12 0.00 2.02 -0.80 0.15 112.91 116.49 3hhw h THR 230 Ca 0.19 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 3hhw h THR 230 Cb 0.35 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 3hhw h THR 230 CO 0.00 0.25 -0.06 0.15 0.37 0.00 0.00 175.52 176.23 3hhw h PHE 231 N 0.72 -0.15 -0.44 3.16 3.57 -1.30 -0.05 116.94 122.45 3hhw h PHE 231 Ca 0.18 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.73 3hhw h PHE 231 Cb 0.18 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 3hhw h PHE 231 CO 0.00 -0.09 0.15 0.78 -2.23 0.00 0.00 178.31 176.93 3hhw h GLY 232 N -0.17 0.57 1.02 2.40 0.00 -0.90 -2.01 103.07 103.98 3hhw h GLY 232 Ca -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 3hhw h GLY 232 CO 0.03 0.02 0.42 0.84 0.00 0.00 0.00 176.54 177.85 3hhw h HIS 233 N 0.32 1.09 -0.39 5.60 -0.00 -0.54 -2.13 115.15 119.11 3hhw h HIS 233 Ca 0.21 -0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.46 3hhw h HIS 233 Cb 0.20 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 27.24 3hhw h HIS 233 CO -0.15 0.77 -0.11 1.25 -0.00 0.00 0.00 177.93 179.69 3hhw h LEU 234 N 1.10 0.67 -0.59 0.26 5.85 -0.67 -2.09 115.31 119.84 3hhw h LEU 234 Ca 0.28 -0.19 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 3hhw h LEU 234 Cb 0.05 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3hhw h LEU 234 CO -0.04 0.81 -0.15 0.00 -0.34 0.00 0.00 178.44 178.72 3hhw h LYS 236 N 0.85 0.99 0.00 0.00 1.79 -1.22 -1.17 116.57 117.81 3hhw h LYS 236 Ca 0.13 -0.41 -0.16 0.00 -2.18 0.00 0.00 60.65 58.03 3hhw h LYS 236 Cb 0.70 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.29 3hhw h LYS 236 CO 0.05 1.09 -0.76 0.97 -1.08 0.00 0.00 179.45 179.72 3hhw h ILE 237 N 0.85 1.47 0.00 1.86 2.10 -1.36 -3.10 117.51 119.33 3hhw h ILE 237 Ca 0.12 -2.67 -0.10 0.00 1.08 0.00 0.00 64.86 63.29 3hhw h ILE 237 Cb 0.76 2.47 -0.02 0.00 -1.09 0.00 0.00 36.82 38.94 3hhw h ILE 237 CO 0.06 0.74 -1.25 0.35 -1.08 0.00 0.00 178.15 176.98 3hhw n THR 238 N -3.52 0.94 -0.97 2.19 -2.24 -0.98 -4.97 114.28 104.72 3hhw n THR 238 Ca -0.00 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 3hhw n THR 238 Cb 0.76 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 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 1.30 0.72 3.92 3.38 0.00 -0.46 -5.03 105.19 109.03 3hhw n GLY 239 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 3hhw n GLY 239 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3hhw s MET 240 N -0.14 3.09 0.83 1.61 0.23 -1.14 -5.00 119.30 118.76 3hhw s MET 240 Ca 0.00 -1.00 -0.12 0.00 -1.03 0.00 0.00 55.69 53.54 3hhw s MET 240 Cb 0.00 -2.71 0.09 0.00 -1.53 0.00 0.00 34.83 30.68 3hhw s MET 240 CO 0.00 0.26 1.10 -1.54 -2.03 0.00 0.00 175.02 172.81 3hhw s SER 241 N -4.00 4.23 0.34 -1.18 1.04 -1.26 -4.65 113.70 108.22 3hhw s SER 241 Ca 0.38 1.27 0.05 0.00 0.48 0.00 0.00 55.95 58.13 3hhw s SER 241 Cb -0.08 -1.98 0.69 0.00 0.10 0.00 0.00 66.02 64.75 3hhw s SER 241 CO 0.28 -2.13 1.92 0.71 0.98 0.00 0.00 173.24 175.01 3hhw h THR 242 N -1.20 1.00 -0.06 2.02 1.35 -1.97 -0.71 112.91 113.33 3hhw h THR 242 Ca -0.48 -0.28 -0.04 0.00 -0.55 0.00 0.00 66.41 65.06 3hhw h THR 242 Cb 1.28 0.09 -0.00 0.00 -1.73 0.00 0.00 68.15 67.79 3hhw h THR 242 CO 0.59 0.15 -0.11 1.05 -0.25 0.00 0.00 175.52 176.95 3hhw h GLU 243 N 0.83 0.19 -0.49 4.72 9.09 -2.00 -2.74 114.58 124.17 3hhw h GLU 243 Ca 0.37 -0.12 -0.05 0.00 0.05 0.00 0.00 59.36 59.61 3hhw h GLU 243 Cb 0.34 0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.43 3hhw h GLU 243 CO -0.14 0.69 0.11 -0.44 0.05 0.00 0.00 179.01 179.29 3hhw h ASP 244 N -0.29 0.70 -0.30 3.06 3.32 -1.84 -2.23 116.42 118.84 3hhw h ASP 244 Ca 0.00 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 3hhw h ASP 244 Cb 0.68 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3hhw h ASP 244 CO 0.03 0.70 0.10 0.58 -1.72 0.00 0.00 179.24 178.92 3hhw h VAL 245 N 0.73 1.20 -0.66 -1.35 2.07 -1.18 -3.01 116.25 114.04 3hhw h VAL 245 Ca 0.16 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3hhw h VAL 245 Cb 0.28 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3hhw h VAL 245 CO -0.00 0.21 0.35 0.71 0.02 0.00 0.00 177.57 178.86 3hhw h THR 246 N 0.32 1.21 0.00 2.57 1.35 -1.15 -0.77 112.91 116.44 3hhw h THR 246 Ca 0.10 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3hhw h THR 246 Cb 0.24 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 66.99 3hhw h THR 246 CO -0.00 0.23 0.00 0.35 -0.25 0.00 0.00 175.52 175.85 3hhw n THR 247 N -4.36 1.19 1.26 6.82 -2.24 -0.87 -1.45 114.28 114.62 3hhw n THR 247 Ca 0.06 0.30 0.13 0.00 -2.27 0.00 0.00 64.05 62.27 3hhw n THR 247 Cb 0.11 -1.16 0.32 0.00 -2.10 0.00 0.00 70.33 67.51 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 -1.41 0.00 -2.02 4.78 7.02 -0.30 -4.88 117.44 120.63 3hhw n TRP 248 Ca 0.03 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.08 3hhw n TRP 248 Cb 0.08 -0.04 -0.03 0.00 -2.42 0.00 0.00 31.31 28.91 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 -2.23 3.59 -0.86 -0.99 1.01 -0.53 -4.87 121.20 116.32 3hhw s ILE 249 Ca 0.29 0.69 0.08 0.00 0.00 0.00 0.00 60.65 61.71 3hhw s ILE 249 Cb 0.20 -3.53 0.04 0.00 0.01 0.00 0.00 42.46 39.17 3hhw s ILE 249 CO 0.42 -0.16 0.66 0.18 0.00 0.00 0.00 174.94 176.05 3hhw n LEU 250 N 7.97 1.40 -4.49 2.97 4.77 -1.26 -4.97 117.00 123.39 3hhw n LEU 250 Ca 0.19 -0.90 -0.33 0.00 -0.03 0.00 0.00 56.01 54.94 3hhw n LEU 250 Cb 0.44 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.40 3hhw n LEU 250 CO 0.64 0.28 -0.45 0.20 -1.33 0.00 0.00 177.39 176.73 3hhw s ASN 251 N -0.85 4.10 0.15 -1.43 0.01 -1.26 -5.04 114.94 110.61 3hhw s ASN 251 Ca 0.08 -0.20 -0.14 0.00 -0.71 0.00 0.00 52.86 51.89 3hhw s ASN 251 Cb 0.06 -0.87 0.03 0.00 0.41 0.00 0.00 41.25 40.89 3hhw s ASN 251 CO 0.14 0.33 1.71 -0.09 -1.51 0.00 0.00 177.10 177.68 3hhw h ARG 252 N 5.20 0.72 -0.65 -0.60 2.43 -1.99 -2.00 114.38 117.49 3hhw h ARG 252 Ca -0.47 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 58.55 3hhw h ARG 252 Cb 1.16 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.55 3hhw h ARG 252 CO 0.50 0.63 0.28 0.93 -1.51 0.00 0.00 179.97 180.80 3hhw h GLU 253 N 0.64 0.94 -0.42 0.20 4.39 -1.99 -0.56 114.58 117.78 3hhw h GLU 253 Ca 0.16 -0.14 -0.07 0.00 0.34 0.00 0.00 59.36 59.65 3hhw h GLU 253 Cb 0.17 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3hhw h GLU 253 CO -0.02 0.76 -0.02 0.28 -1.16 0.00 0.00 179.01 178.85 3hhw h VAL 254 N 0.93 1.26 -0.26 3.13 2.07 -1.88 -2.28 116.25 119.23 3hhw h VAL 254 Ca 0.22 -1.06 0.05 0.00 0.82 0.00 0.00 66.70 66.74 3hhw h VAL 254 Cb 0.15 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 3hhw h VAL 254 CO -0.02 0.36 -0.05 0.00 0.02 0.00 0.00 177.57 177.88 3hhw h ALA 255 N 0.89 0.19 -0.57 1.67 0.00 -0.81 -0.38 119.26 120.24 3hhw h ALA 255 Ca 0.12 0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.23 3hhw h ALA 255 Cb 0.51 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.39 3hhw h ALA 255 CO 0.02 -0.46 0.03 -0.44 0.00 0.00 0.00 179.25 178.41 3hhw h ASP 256 N 0.02 -0.18 -0.36 0.00 3.32 -1.00 -1.91 116.42 116.31 3hhw h ASP 256 Ca 0.13 0.13 -0.12 0.00 0.02 0.00 0.00 57.03 57.19 3hhw h ASP 256 Cb 0.19 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3hhw h ASP 256 CO -0.25 -0.07 -0.20 -0.33 -1.72 0.00 0.00 179.24 176.67 3hhw h GLU 257 N 0.15 0.84 -0.39 3.56 5.08 -0.78 -1.69 114.58 121.36 3hhw h GLU 257 Ca 0.30 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 3hhw h GLU 257 Cb 0.46 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3hhw h GLU 257 CO -0.46 0.97 -0.01 1.98 -1.00 0.00 0.00 179.01 180.49 3hhw h MET 258 N 0.74 0.69 -0.88 2.33 4.05 -0.80 0.14 114.93 121.20 3hhw h MET 258 Ca 0.10 -0.23 0.04 0.00 -0.28 0.00 0.00 59.70 59.33 3hhw h MET 258 Cb 0.72 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.41 3hhw h MET 258 CO 0.06 0.80 0.57 0.28 0.23 0.00 0.00 176.91 178.84 3hhw h VAL 259 N 0.51 1.14 -0.55 -5.77 2.07 -1.26 0.47 116.25 112.86 3hhw h VAL 259 Ca 0.11 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 3hhw h VAL 259 Cb 0.49 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 3hhw h VAL 259 CO 0.02 0.20 0.18 -0.61 0.02 0.00 0.00 177.57 177.39 3hhw h GLN 260 N 1.10 0.85 -0.18 1.57 4.15 -1.03 -2.96 115.11 118.61 3hhw h GLN 260 Ca 0.35 -0.18 -0.10 0.00 0.77 0.00 0.00 58.65 59.50 3hhw h GLN 260 Cb 0.02 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 3hhw h GLN 260 CO -0.12 0.77 -0.34 0.52 -1.93 0.00 0.00 178.83 177.73 3hhw h MET 261 N 0.76 0.36 -0.49 1.69 2.86 0.03 -3.25 114.93 116.89 3hhw h MET 261 Ca 0.18 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3hhw h MET 261 Cb 0.26 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3hhw h MET 261 CO -0.01 0.66 0.00 -1.33 1.06 0.00 0.00 176.91 177.29 3hhw n MET 262 N -4.08 2.48 -1.56 1.72 2.81 0.09 -4.99 117.12 113.59 3hhw n MET 262 Ca -0.01 -2.27 -0.60 0.00 -1.81 0.00 0.00 57.70 53.01 3hhw n MET 262 Cb 0.44 -1.51 -0.08 0.00 -0.71 0.00 0.00 33.22 31.36 3hhw n MET 262 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 3hhw n LEU 263 N 1.41 0.46 -4.70 4.03 7.94 -1.13 -4.86 117.00 120.16 3hhw n LEU 263 Ca 0.21 1.16 -0.32 0.00 -1.11 0.00 0.00 56.01 55.94 3hhw n LEU 263 Cb 0.58 -0.95 0.13 0.00 0.53 0.00 0.00 43.42 43.71 3hhw n LEU 263 CO 0.16 -1.57 0.72 -2.84 -1.11 0.00 0.00 177.39 172.74 3hhw s PRO 264 N 0.73 1.51 -0.74 1.96 0.02 -1.26 -4.22 135.00 133.00 3hhw s PRO 264 Ca 0.93 1.59 -0.03 0.00 0.02 0.00 0.00 61.00 63.51 3hhw s PRO 264 Cb -1.28 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 31.47 3hhw s PRO 264 CO 0.61 -2.27 0.64 0.41 -0.33 0.00 0.00 177.00 176.06 3hhw n GLY 265 N 0.13 0.04 0.16 0.52 0.00 -1.26 -4.95 105.19 99.83 3hhw n GLY 265 Ca 0.12 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.98 0.94 -3.39 1.61 1.13 -1.26 -4.67 117.38 108.76 3hhw n GLN 266 Ca -0.07 -1.11 -0.24 0.00 -1.94 0.00 0.00 57.00 53.64 3hhw n GLN 266 Cb 0.56 -1.07 0.04 0.00 0.11 0.00 0.00 30.24 29.88 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 0.02 -5.60 -0.34 -1.09 1.02 -1.26 -4.79 120.64 108.61 3hhw n GLU 267 Ca 0.03 0.77 0.01 0.00 -0.02 0.00 0.00 57.16 57.94 3hhw n GLU 267 Cb 0.18 -5.66 0.17 0.00 -0.02 0.00 0.00 31.44 26.10 3hhw n GLU 267 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3hhw h ILE 268 N -1.80 1.17 -0.24 -3.67 6.09 -1.95 -2.86 117.51 114.25 3hhw h ILE 268 Ca -0.54 -0.41 0.00 0.00 -1.37 0.00 0.00 64.86 62.54 3hhw h ILE 268 Cb 1.36 -0.14 0.00 0.00 0.47 0.00 0.00 36.82 38.51 3hhw h ILE 268 CO 0.58 0.22 0.00 -0.90 -3.07 0.00 0.00 178.15 174.98 3hhw n ASP 269 N -4.44 2.63 -4.77 2.19 5.75 -1.26 -5.00 116.55 111.65 3hhw n ASP 269 Ca 0.13 -1.82 -0.37 0.00 -0.01 0.00 0.00 54.79 52.71 3hhw n ASP 269 Cb 0.09 -0.16 -0.01 0.00 -1.03 0.00 0.00 41.12 40.01 3hhw n ASP 269 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3hhw s LYS 270 N -0.99 3.80 -0.15 0.11 2.36 -1.08 -5.02 119.74 118.78 3hhw s LYS 270 Ca 0.21 1.82 -0.18 0.00 -2.55 0.00 0.00 55.97 55.27 3hhw s LYS 270 Cb 0.12 -2.47 -0.04 0.00 -1.05 0.00 0.00 37.83 34.39 3hhw s LYS 270 CO 0.16 -0.53 0.48 0.00 1.55 0.00 0.00 175.35 177.01 3hhw s ALA 271 N -1.50 3.50 -0.28 3.13 0.00 -1.26 -4.61 121.76 120.74 3hhw s ALA 271 Ca 0.62 -0.27 -0.06 0.00 0.00 0.00 0.00 51.96 52.25 3hhw s ALA 271 Cb -0.30 -2.68 0.01 0.00 0.00 0.00 0.00 23.12 20.15 3hhw s ALA 271 CO 0.36 -0.13 0.24 -0.25 0.00 0.00 0.00 175.76 175.98 3hhw n ASP 272 N 4.02 -6.50 -4.10 0.00 9.92 -1.26 -5.08 116.55 113.55 3hhw n ASP 272 Ca -0.07 0.72 -0.10 0.00 -0.53 0.00 0.00 54.79 54.82 3hhw n ASP 272 Cb 0.51 -4.29 -0.09 0.00 -0.64 0.00 0.00 41.12 36.61 3hhw n ASP 272 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3hhw s SER 273 N -1.75 0.23 0.17 -2.24 0.15 -1.26 -4.91 113.70 104.09 3hhw s SER 273 Ca 0.10 -1.11 0.06 0.00 0.70 0.00 0.00 55.95 55.70 3hhw s SER 273 Cb -0.03 0.33 -0.02 0.00 -1.71 0.00 0.00 66.02 64.60 3hhw s SER 273 CO 0.58 -0.77 1.38 1.88 1.20 0.00 0.00 173.24 177.51 3hhw h TYR 274 N 2.78 0.09 -1.00 3.44 0.05 -1.95 -3.39 116.97 116.99 3hhw h TYR 274 Ca -0.34 -0.05 0.23 0.00 0.05 0.00 0.00 58.73 58.62 3hhw h TYR 274 Cb 1.21 -0.01 -0.19 0.00 1.01 0.00 0.00 36.73 38.75 3hhw h TYR 274 CO 0.42 0.90 -0.13 1.98 -1.05 0.00 0.00 178.16 180.28 3hhw h MET 275 N 0.03 0.00 -0.39 4.88 4.05 -1.90 -0.18 114.93 121.43 3hhw h MET 275 Ca -0.02 -0.00 0.11 0.00 -0.28 0.00 0.00 59.70 59.51 3hhw h MET 275 Cb 1.54 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.32 3hhw h MET 275 CO 0.12 0.00 0.32 -1.35 0.23 0.00 0.00 176.91 176.23 3hhw h PRO 276 N 0.00 0.00 -1.14 0.39 0.11 -1.93 -2.39 132.00 127.04 3hhw h PRO 276 Ca 0.53 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 66.02 3hhw h PRO 276 Cb 0.95 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.69 3hhw h PRO 276 CO -0.99 0.00 -0.04 0.66 -0.21 0.00 0.00 178.00 177.42 3hhw n TYR 277 N -4.15 3.05 0.26 0.65 4.01 -0.08 -2.14 117.16 118.76 3hhw n TYR 277 Ca 0.07 -2.64 0.14 0.00 -0.16 0.00 0.00 57.90 55.30 3hhw n TYR 277 Cb 0.50 -0.74 0.65 0.00 -0.31 0.00 0.00 39.34 39.45 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 2.32 0.00 0.06 7.72 -0.00 -1.50 -1.23 115.31 122.68 3hhw h LEU 278 Ca 0.45 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 58.04 3hhw h LEU 278 Cb 1.00 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.63 3hhw h LEU 278 CO 1.12 0.12 -1.63 -0.38 -0.00 0.00 0.00 178.44 177.67 3hhw n ILE 279 N -3.37 1.66 0.09 0.15 -0.00 -1.26 -0.95 119.36 115.67 3hhw n ILE 279 Ca -0.01 -0.33 0.06 0.00 -0.00 0.00 0.00 62.75 62.47 3hhw n ILE 279 Cb 0.31 -1.90 0.51 0.00 -0.00 0.00 0.00 39.64 38.56 3hhw n ILE 279 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 3hhw h ASP 280 N -0.49 0.30 -0.11 4.38 3.32 -1.84 0.35 116.42 122.32 3hhw h ASP 280 Ca -0.39 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3hhw h ASP 280 Cb 1.66 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.14 3hhw h ASP 280 CO -0.07 0.21 0.00 0.49 -1.72 0.00 0.00 179.24 178.15 3hhw n PHE 281 N -4.50 0.13 -1.55 4.55 0.99 -0.48 -2.74 117.46 113.87 3hhw n PHE 281 Ca 0.01 -0.07 -0.15 0.00 -0.00 0.00 0.00 57.45 57.25 3hhw n PHE 281 Cb 0.09 0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 38.52 3hhw n PHE 281 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hhw n GLY 282 N 1.13 1.25 0.24 1.37 0.00 0.11 -4.88 105.19 104.41 3hhw n GLY 282 Ca 0.17 -0.33 0.15 0.00 0.00 0.00 0.00 46.02 46.01 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 -7.29 0.99 3.38 -1.42 -3.45 115.31 107.52 3hhw h LEU 283 Ca -0.31 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.57 3hhw h LEU 283 Cb 0.99 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.53 3hhw h LEU 283 CO 0.43 0.00 -0.12 -0.55 0.09 0.00 0.00 178.44 178.29 3hhw s SER 284 N -5.61 -0.42 0.00 -0.43 0.15 -0.13 -4.58 113.70 102.69 3hhw s SER 284 Ca 0.04 0.56 0.11 0.00 0.70 0.00 0.00 55.95 57.35 3hhw s SER 284 Cb 0.08 0.61 -0.03 0.00 -1.71 0.00 0.00 66.02 64.97 3hhw s SER 284 CO 0.56 -0.38 0.61 -1.54 1.20 0.00 0.00 173.24 173.69 3hhw n SER 285 N 1.75 1.07 -3.55 5.45 3.41 -1.26 -4.35 113.62 116.14 3hhw n SER 285 Ca -0.18 -1.03 -0.29 0.00 -0.26 0.00 0.00 58.87 57.11 3hhw n SER 285 Cb 0.56 0.62 -0.15 0.00 -0.26 0.00 0.00 64.21 64.98 3hhw n SER 285 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hhw s LYS 286 N -1.60 0.26 -0.03 4.33 -0.14 -1.26 -5.05 119.74 116.25 3hhw s LYS 286 Ca 0.08 -0.63 -0.30 0.00 -1.36 0.00 0.00 55.97 53.75 3hhw s LYS 286 Cb 0.09 -1.24 -0.05 0.00 -1.68 0.00 0.00 37.83 34.95 3hhw s LYS 286 CO 0.32 -1.03 1.32 0.45 -0.76 0.00 0.00 175.35 175.65 3hhw s SER 287 N 1.98 6.93 0.00 2.83 0.15 -1.26 -0.96 113.70 123.37 3hhw s SER 287 Ca 0.10 1.98 0.18 0.00 0.70 0.00 0.00 55.95 58.91 3hhw s SER 287 Cb -0.17 -2.56 0.91 0.00 -1.71 0.00 0.00 66.02 62.49 3hhw s SER 287 CO -0.33 -0.66 1.54 -2.65 1.20 0.00 0.00 173.24 172.33 3hhw n PRO 288 N 5.32 0.26 -0.19 5.44 -0.02 -1.26 -2.84 135.00 141.72 3hhw n PRO 288 Ca 0.12 0.11 0.05 0.00 -2.02 0.00 0.00 63.50 61.77 3hhw n PRO 288 Cb 0.45 -1.50 0.14 0.00 -0.02 0.00 0.00 33.50 32.57 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 -1.28 0.43 -2.34 6.00 4.01 -1.26 -4.65 117.16 118.07 3hhw n TYR 289 Ca 0.09 -0.61 -0.37 0.00 -0.16 0.00 0.00 57.90 56.84 3hhw n TYR 289 Cb 0.14 -0.10 -0.02 0.00 -0.31 0.00 0.00 39.34 39.05 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 -1.51 3.06 0.20 -0.72 0.51 -1.13 -1.62 118.94 117.73 3hhw s TRP 290 Ca 0.23 1.57 -0.10 0.00 -2.12 0.00 0.00 56.10 55.68 3hhw s TRP 290 Cb 0.15 -3.33 0.14 0.00 -0.81 0.00 0.00 33.47 29.63 3hhw s TRP 290 CO 0.10 -1.21 1.83 0.77 -0.51 0.00 0.00 176.95 177.93 3hhw h SER 291 N 2.44 0.91 0.10 2.95 0.02 -1.89 -2.86 113.55 115.22 3hhw h SER 291 Ca -0.49 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.37 3hhw h SER 291 Cb 1.23 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.54 3hhw h SER 291 CO 0.62 0.73 -0.04 -0.37 -1.14 0.00 0.00 176.83 176.63 3hhw h VAL 292 N 1.01 0.63 -0.01 2.27 -1.51 -1.96 0.15 116.25 116.82 3hhw h VAL 292 Ca 0.26 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.56 3hhw h VAL 292 Cb 0.02 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.28 3hhw h VAL 292 CO -0.04 0.04 -0.34 0.29 -1.23 0.00 0.00 177.57 176.28 3hhw n LYS 293 N -3.90 0.84 -2.92 5.19 4.76 -1.13 -4.26 118.16 116.74 3hhw n LYS 293 Ca -0.03 -0.56 -0.20 0.00 -2.87 0.00 0.00 58.31 54.65 3hhw n LYS 293 Cb 0.13 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 31.81 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 -0.59 2.62 -0.15 4.39 3.02 0.02 -4.97 115.26 119.60 3hhw n ASN 294 Ca 0.11 -3.27 -0.11 0.00 -0.03 0.00 0.00 54.58 51.28 3hhw n ASN 294 Cb 0.37 -0.56 0.02 0.00 -0.61 0.00 0.00 39.78 39.00 3hhw n ASN 294 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3hhw h PRO 295 N 2.93 0.97 -0.03 3.52 0.11 -1.68 0.14 132.00 137.95 3hhw h PRO 295 Ca 0.10 -0.41 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 3hhw h PRO 295 Cb 0.86 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 3hhw h PRO 295 CO 0.65 1.08 0.00 0.00 -0.21 0.00 0.00 178.00 179.52 3hhw h ALA 296 N 0.91 0.04 -0.53 -0.75 0.00 -1.91 0.00 119.26 117.02 3hhw h ALA 296 Ca 0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3hhw h ALA 296 Cb 0.78 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3hhw h ALA 296 CO 0.06 -0.32 0.21 0.35 0.00 0.00 0.00 179.25 179.56 3hhw h PHE 297 N -0.20 0.75 -0.05 0.00 3.57 -1.86 0.17 116.94 119.32 3hhw h PHE 297 Ca 0.01 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 3hhw h PHE 297 Cb 0.27 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 3hhw h PHE 297 CO 0.02 0.59 0.03 1.25 -2.23 0.00 0.00 178.31 177.96 3hhw h HIS 298 N 0.75 0.07 0.56 0.41 2.76 -0.56 -0.20 115.15 118.94 3hhw h HIS 298 Ca 0.18 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.32 3hhw h HIS 298 Cb 0.15 -0.02 0.01 0.00 1.55 0.00 0.00 27.41 29.09 3hhw h HIS 298 CO 0.01 0.15 -0.27 0.35 -1.30 0.00 0.00 177.93 176.87 3hhw h PHE 299 N -0.03 -0.69 -0.29 5.26 3.57 -0.59 -1.79 116.94 122.37 3hhw h PHE 299 Ca 0.02 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.56 3hhw h PHE 299 Cb 0.10 0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.01 3hhw h PHE 299 CO -0.04 -0.37 -0.10 2.35 -2.23 0.00 0.00 178.31 177.92 3hhw h TRP 300 N -1.05 -0.24 -0.56 0.41 7.01 -0.76 0.13 115.95 120.90 3hhw h TRP 300 Ca -0.08 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 60.89 3hhw h TRP 300 Cb 0.64 0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.83 3hhw h TRP 300 CO 0.01 -0.17 0.12 0.78 -2.79 0.00 0.00 178.44 176.39 3hhw h GLY 301 N -0.05 0.97 1.51 2.65 0.00 -1.08 -2.16 103.07 104.92 3hhw h GLY 301 Ca 0.15 -0.62 -0.22 0.00 0.00 0.00 0.00 47.33 46.63 3hhw h GLY 301 CO -0.33 0.58 -0.89 -1.61 0.00 0.00 0.00 176.54 174.29 3hhw h GLN 302 N 0.80 0.45 -0.44 4.80 5.75 -1.12 -2.24 115.11 123.12 3hhw h GLN 302 Ca 0.17 -0.45 -0.08 0.00 -0.15 0.00 0.00 58.65 58.14 3hhw h GLN 302 Cb 0.37 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 3hhw h GLN 302 CO 0.00 1.10 -0.05 1.25 -2.65 0.00 0.00 178.83 178.49 3hhw h LEU 303 N 0.27 0.80 -0.26 -2.39 5.85 -0.65 -0.21 115.31 118.72 3hhw h LEU 303 Ca -0.07 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 3hhw h LEU 303 Cb 1.52 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 3hhw h LEU 303 CO 0.16 0.94 0.15 0.74 -0.34 0.00 0.00 178.44 180.09 3hhw h THR 304 N 0.64 1.10 -0.43 1.05 2.02 -1.43 -0.84 112.91 115.01 3hhw h THR 304 Ca 0.12 -0.23 0.05 0.00 0.77 0.00 0.00 66.41 67.11 3hhw h THR 304 Cb 0.56 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 3hhw h THR 304 CO 0.03 0.09 0.18 0.00 0.37 0.00 0.00 175.52 176.19 3hhw h ALA 305 N 1.05 0.52 -0.31 6.16 0.00 -1.26 -1.84 119.26 123.58 3hhw h ALA 305 Ca 0.09 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3hhw h ALA 305 Cb 0.02 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3hhw h ALA 305 CO -0.02 -0.20 -0.05 1.25 0.00 0.00 0.00 179.25 180.23 3hhw h LEU 306 N 0.36 -0.22 -1.08 0.00 6.46 -0.69 -0.95 115.31 119.18 3hhw h LEU 306 Ca 0.20 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 3hhw h LEU 306 Cb 0.16 0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 3hhw h LEU 306 CO -0.18 -0.07 0.00 -0.07 -0.62 0.00 0.00 178.44 177.50 3hhw h LEU 307 N 0.04 0.00 -3.87 2.25 3.38 -0.73 -0.90 115.31 115.48 3hhw h LEU 307 Ca 0.15 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.63 3hhw h LEU 307 Cb 0.22 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 40.69 3hhw h LEU 307 CO -0.29 0.00 0.51 0.18 0.09 0.00 0.00 178.44 178.93 3hhw n LEU 308 N -2.37 6.40 -1.89 1.67 4.77 -0.44 -4.91 117.00 120.23 3hhw n LEU 308 Ca 0.01 -3.84 -0.12 0.00 -0.03 0.00 0.00 56.01 52.03 3hhw n LEU 308 Cb 0.18 -0.81 0.03 0.00 -2.33 0.00 0.00 43.42 40.49 3hhw n LEU 308 CO 0.18 1.23 0.08 0.54 -1.33 0.00 0.00 177.39 178.08 3hhw n ARG 309 N -1.08 -3.41 -2.32 3.23 5.12 -0.35 -5.00 116.66 112.85 3hhw n ARG 309 Ca 0.55 0.43 -0.41 0.00 -1.93 0.00 0.00 57.85 56.50 3hhw n ARG 309 Cb 1.32 -4.28 -0.03 0.00 -1.16 0.00 0.00 32.46 28.31 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 -3.04 7.04 0.20 0.55 0.15 -0.76 -4.94 113.70 112.90 3hhw s SER 310 Ca 0.24 2.36 0.16 0.00 0.70 0.00 0.00 55.95 59.41 3hhw s SER 310 Cb -0.11 -2.62 -0.01 0.00 -1.71 0.00 0.00 66.02 61.58 3hhw s SER 310 CO 0.30 -0.37 1.19 0.71 1.20 0.00 0.00 173.24 176.26 3hhw h THR 311 N 3.45 0.63 0.09 6.45 1.35 -1.94 -3.39 112.91 119.55 3hhw h THR 311 Ca -0.46 -2.00 -0.31 0.00 -0.55 0.00 0.00 66.41 63.09 3hhw h THR 311 Cb 1.22 2.20 -0.02 0.00 -1.73 0.00 0.00 68.15 69.81 3hhw h THR 311 CO 0.71 0.36 -1.67 0.03 -0.25 0.00 0.00 175.52 174.70 3hhw h ARG 312 N 0.00 0.18 0.00 4.72 3.08 -1.98 -3.39 114.38 117.00 3hhw h ARG 312 Ca -0.06 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.67 3hhw h ARG 312 Cb 1.42 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.59 3hhw h ARG 312 CO 0.05 1.15 0.04 0.00 -1.07 0.00 0.00 179.97 180.14 3hhw h ALA 313 N -0.12 1.03 -0.29 0.04 0.00 -1.88 -3.17 119.26 114.87 3hhw h ALA 313 Ca -0.38 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.59 3hhw h ALA 313 Cb 1.77 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.49 3hhw h ALA 313 CO -0.01 -0.03 -0.14 0.00 0.00 0.00 0.00 179.25 179.07 3hhw h ARG 314 N 0.00 -0.10 -0.63 0.00 3.08 -1.78 -2.83 114.38 112.12 3hhw h ARG 314 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3hhw h ARG 314 Cb 0.08 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3hhw h ARG 314 CO 0.00 -0.07 0.00 0.09 -1.07 0.00 0.00 179.97 178.92 3hhw n ASN 315 N -5.31 4.52 -4.77 7.04 3.02 -1.20 -0.95 115.26 117.61 3hhw n ASN 315 Ca 0.00 -2.39 -0.40 0.00 -0.03 0.00 0.00 54.58 51.76 3hhw n ASN 315 Cb 0.23 -0.54 -0.03 0.00 -0.61 0.00 0.00 39.78 38.83 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 -1.73 3.40 0.34 5.41 0.00 -1.07 -4.86 121.76 123.26 3hhw s ALA 316 Ca 0.49 1.12 -0.29 0.00 0.00 0.00 0.00 51.96 53.28 3hhw s ALA 316 Cb 0.31 -3.42 -0.12 0.00 0.00 0.00 0.00 23.12 19.89 3hhw s ALA 316 CO 0.25 -0.51 1.48 -2.13 0.00 0.00 0.00 175.76 174.85 3hhw n ARG 317 N 0.73 2.56 -2.92 0.00 0.63 -1.26 -0.56 116.66 115.84 3hhw n ARG 317 Ca 0.01 0.90 -0.42 0.00 -0.92 0.00 0.00 57.85 57.41 3hhw n ARG 317 Cb 0.43 -2.62 -0.05 0.00 0.45 0.00 0.00 32.46 30.68 3hhw n ARG 317 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 3hhw s GLN 318 N -1.52 3.81 0.69 -0.14 0.74 0.20 -4.49 119.66 118.94 3hhw s GLN 318 Ca 0.57 0.41 -0.14 0.00 0.05 0.00 0.00 55.36 56.26 3hhw s GLN 318 Cb -0.51 -3.79 0.02 0.00 1.10 0.00 0.00 33.01 29.82 3hhw s GLN 318 CO 0.59 -0.84 1.12 -2.14 -0.55 0.00 0.00 175.29 173.46 3hhw s PRO 319 N 3.16 2.61 0.56 1.67 0.02 -1.26 -4.89 135.00 136.86 3hhw s PRO 319 Ca 0.33 1.39 -0.01 0.00 0.02 0.00 0.00 61.00 62.73 3hhw s PRO 319 Cb -0.13 -1.93 0.02 0.00 0.02 0.00 0.00 34.50 32.49 3hhw s PRO 319 CO 0.17 -1.40 0.81 -0.51 -0.33 0.00 0.00 177.00 175.73 3hhw s ASP 320 N -2.67 5.39 -1.30 2.53 1.01 -1.26 -4.72 116.67 115.66 3hhw s ASP 320 Ca 0.67 0.25 -0.03 0.00 0.71 0.00 0.00 52.55 54.15 3hhw s ASP 320 Cb -0.21 -1.21 -0.00 0.00 1.01 0.00 0.00 42.92 42.51 3hhw s ASP 320 CO 0.45 -1.09 0.65 0.47 0.21 0.00 0.00 175.17 175.85 3hhw n ASP 321 N -2.41 -1.63 -4.12 0.27 8.00 -1.26 -5.00 116.55 110.40 3hhw n ASP 321 Ca 0.06 -0.89 -0.10 0.00 0.71 0.00 0.00 54.79 54.57 3hhw n ASP 321 Cb 0.59 -3.78 -0.10 0.00 -0.02 0.00 0.00 41.12 37.81 3hhw n ASP 321 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3hhw s ILE 322 N -3.71 0.51 -1.15 0.53 -4.36 -1.26 -5.03 121.20 106.73 3hhw s ILE 322 Ca 0.07 -1.74 -0.19 0.00 -0.26 0.00 0.00 60.65 58.53 3hhw s ILE 322 Cb -0.02 -1.42 0.08 0.00 1.25 0.00 0.00 42.46 42.34 3hhw s ILE 322 CO 0.83 -0.83 1.55 -1.83 0.24 0.00 0.00 174.94 174.90 3hhw s GLU 323 N -3.44 3.82 0.21 0.37 -1.05 -1.26 -4.85 118.70 112.50 3hhw s GLU 323 Ca 0.06 -1.72 -0.09 0.00 -0.15 0.00 0.00 54.97 53.06 3hhw s GLU 323 Cb 0.03 -5.37 0.26 0.00 -0.44 0.00 0.00 34.13 28.62 3hhw s GLU 323 CO -0.05 -2.14 1.78 1.88 0.95 0.00 0.00 175.26 177.67 3hhw h TYR 324 N 8.45 0.55 -0.68 4.83 0.05 -1.99 -2.82 116.97 125.35 3hhw h TYR 324 Ca 0.32 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 59.05 3hhw h TYR 324 Cb 0.94 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 38.50 3hhw h TYR 324 CO 1.32 0.22 0.13 1.79 -1.05 0.00 0.00 178.16 180.56 3hhw h THR 325 N 0.55 1.26 -0.24 -2.88 1.35 -2.00 -1.43 112.91 109.53 3hhw h THR 325 Ca 0.30 -1.02 -0.19 0.00 -0.55 0.00 0.00 66.41 64.96 3hhw h THR 325 Cb 0.28 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 3hhw h THR 325 CO -0.24 0.38 -0.60 0.28 -0.25 0.00 0.00 175.52 175.10 3hhw h SER 326 N 1.04 0.88 0.56 5.36 0.02 -1.97 -2.84 113.55 116.60 3hhw h SER 326 Ca 0.21 -0.49 -0.11 0.00 -0.84 0.00 0.00 61.79 60.56 3hhw h SER 326 Cb 0.42 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3hhw h SER 326 CO 0.01 1.27 -0.52 -0.07 -1.14 0.00 0.00 176.83 176.38 3hhw h LEU 327 N 0.58 0.00 -0.05 5.07 3.38 -1.38 -2.33 115.31 120.59 3hhw h LEU 327 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3hhw h LEU 327 Cb 1.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 3hhw h LEU 327 CO 0.13 0.52 -0.01 0.74 0.09 0.00 0.00 178.44 179.91 3hhw h THR 328 N 0.00 1.28 -0.25 0.22 2.02 -1.24 -0.69 112.91 114.25 3hhw h THR 328 Ca -0.01 -0.86 0.03 0.00 0.77 0.00 0.00 66.41 66.35 3hhw h THR 328 Cb 0.94 1.75 -0.03 0.00 -1.74 0.00 0.00 68.15 69.07 3hhw h THR 328 CO 0.07 0.23 0.05 0.74 0.37 0.00 0.00 175.52 176.98 3hhw h THR 329 N -0.23 0.88 -0.80 3.16 2.02 -1.39 0.41 112.91 116.96 3hhw h THR 329 Ca 0.01 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.17 3hhw h THR 329 Cb 0.37 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 3hhw h THR 329 CO 0.00 0.03 0.52 0.00 0.37 0.00 0.00 175.52 176.44 3hhw h ALA 330 N 1.19 1.03 -0.40 6.16 0.00 -1.44 -0.50 119.26 125.29 3hhw h ALA 330 Ca 0.12 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3hhw h ALA 330 Cb 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3hhw h ALA 330 CO -0.15 0.37 -0.15 0.78 0.00 0.00 0.00 179.25 180.09 3hhw h GLY 331 N 1.03 0.88 0.95 0.00 0.00 -0.59 -2.06 103.07 103.29 3hhw h GLY 331 Ca 0.31 -0.77 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 3hhw h GLY 331 CO -0.09 0.70 0.19 -2.00 0.00 0.00 0.00 176.54 175.34 3hhw h LEU 332 N 0.63 0.54 -0.67 3.11 5.85 0.02 -1.35 115.31 123.44 3hhw h LEU 332 Ca 0.09 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 3hhw h LEU 332 Cb 0.70 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 3hhw h LEU 332 CO 0.05 0.52 0.27 0.25 -0.34 0.00 0.00 178.44 179.19 3hhw h LEU 333 N 0.52 0.93 -0.14 2.25 5.85 -1.05 0.29 115.31 123.95 3hhw h LEU 333 Ca 0.14 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 3hhw h LEU 333 Cb 0.13 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 3hhw h LEU 333 CO -0.02 0.85 -0.06 0.22 -0.34 0.00 0.00 178.44 179.09 3hhw h TYR 334 N 0.96 0.34 -0.62 1.25 3.20 -1.29 -0.90 116.97 119.91 3hhw h TYR 334 Ca 0.22 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 3hhw h TYR 334 Cb 0.21 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 3hhw h TYR 334 CO 0.01 0.62 0.25 0.00 -1.64 0.00 0.00 178.16 177.40 3hhw h ALA 335 N 0.67 0.80 -0.64 1.82 0.00 -1.19 -0.28 119.26 120.44 3hhw h ALA 335 Ca 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3hhw h ALA 335 Cb 0.52 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3hhw h ALA 335 CO 0.02 0.42 0.32 -0.92 0.00 0.00 0.00 179.25 179.08 3hhw h TYR 336 N 0.86 0.88 -0.22 0.00 3.20 -0.88 0.37 116.97 121.18 3hhw h TYR 336 Ca 0.21 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 3hhw h TYR 336 Cb 0.20 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 3hhw h TYR 336 CO 0.01 0.64 -0.07 0.00 -1.64 0.00 0.00 178.16 177.10 3hhw h ALA 337 N 1.45 0.30 -0.35 1.82 0.00 -0.68 -1.45 119.26 120.36 3hhw h ALA 337 Ca 0.22 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3hhw h ALA 337 Cb 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hhw h ALA 337 CO -0.03 0.11 0.01 0.28 0.00 0.00 0.00 179.25 179.62 3hhw h VAL 338 N 0.15 1.26 -0.28 0.00 2.07 -0.73 -2.97 116.25 115.75 3hhw h VAL 338 Ca 0.05 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 66.53 3hhw h VAL 338 Cb 0.54 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3hhw h VAL 338 CO 0.03 0.32 -0.19 1.23 0.02 0.00 0.00 177.57 178.98 3hhw h GLY 339 N 0.43 0.54 1.54 2.17 0.00 -0.27 -3.14 103.07 104.34 3hhw h GLY 339 Ca 0.10 -0.41 -0.21 0.00 0.00 0.00 0.00 47.33 46.81 3hhw h GLY 339 CO 0.02 0.37 -0.86 1.76 0.00 0.00 0.00 176.54 177.83 3hhw h SER 340 N 0.45 0.53 -3.73 0.19 0.02 -1.29 -3.41 113.55 106.31 3hhw h SER 340 Ca 0.08 -0.40 -0.70 0.00 -0.84 0.00 0.00 61.79 59.92 3hhw h SER 340 Cb 0.58 -0.16 -0.34 0.00 0.14 0.00 0.00 62.40 62.62 3hhw h SER 340 CO 0.04 1.18 -0.44 -0.94 -1.14 0.00 0.00 176.83 175.53 3hhw s SER 341 N -7.05 5.35 0.74 3.07 1.04 -1.12 -5.08 113.70 110.64 3hhw s SER 341 Ca -0.06 -2.37 -0.11 0.00 0.48 0.00 0.00 55.95 53.89 3hhw s SER 341 Cb 0.09 -1.87 0.03 0.00 0.10 0.00 0.00 66.02 64.37 3hhw s SER 341 CO 0.86 -0.49 1.07 0.00 0.98 0.00 0.00 173.24 175.66 3hhw s ALA 342 N 0.65 2.47 0.00 5.32 0.00 -1.26 -4.81 121.76 124.13 3hhw s ALA 342 Ca 0.12 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.12 3hhw s ALA 342 Cb -0.22 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3hhw s ALA 342 CO -0.04 -1.47 0.51 -0.25 0.00 0.00 0.00 175.76 174.51 3hhw n ASP 343 N -3.29 0.00 -2.94 0.00 10.43 -1.26 -4.98 116.55 114.52 3hhw n ASP 343 Ca 0.08 0.51 -0.04 0.00 2.57 0.00 0.00 54.79 57.91 3hhw n ASP 343 Cb 0.54 -0.01 0.00 0.00 1.84 0.00 0.00 41.12 43.50 3hhw n ASP 343 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3hhw n LEU 344 N -0.72 -6.28 -3.62 0.64 7.99 -1.26 -5.07 117.00 108.68 3hhw n LEU 344 Ca 0.00 0.91 -0.15 0.00 -0.01 0.00 0.00 56.01 56.76 3hhw n LEU 344 Cb 0.00 -2.70 -0.07 0.00 -0.11 0.00 0.00 43.42 40.54 3hhw n LEU 344 CO 0.00 -2.35 0.31 0.00 -1.51 0.00 0.00 177.39 173.84 3hhw s ALA 345 N -1.54 -1.50 0.29 -1.18 0.00 -1.26 -5.15 121.76 111.42 3hhw s ALA 345 Ca 0.06 1.36 -0.29 0.00 0.00 0.00 0.00 51.96 53.08 3hhw s ALA 345 Cb -0.01 -0.46 -0.10 0.00 0.00 0.00 0.00 23.12 22.55 3hhw s ALA 345 CO 0.55 -0.32 1.43 -1.14 0.00 0.00 0.00 175.76 176.29 3hhw s GLN 346 N -0.50 4.25 -0.13 0.00 0.74 -1.26 -4.94 119.66 117.82 3hhw s GLN 346 Ca -0.06 2.35 0.05 0.00 0.05 0.00 0.00 55.36 57.75 3hhw s GLN 346 Cb -0.03 -3.07 -0.11 0.00 1.10 0.00 0.00 33.01 30.90 3hhw s GLN 346 CO 0.05 -0.41 -0.06 1.04 -0.55 0.00 0.00 175.29 175.36 3hhw n GLN 347 N 1.66 1.10 -4.16 1.67 1.13 -1.26 -5.04 117.38 112.47 3hhw n GLN 347 Ca 0.04 0.05 -0.16 0.00 -1.94 0.00 0.00 57.00 54.99 3hhw n GLN 347 Cb 0.40 -1.28 -0.11 0.00 0.11 0.00 0.00 30.24 29.36 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 -2.27 1.07 0.03 1.08 0.08 -1.26 -5.17 117.98 111.55 3hhw s PHE 348 Ca -0.13 -0.56 -0.02 0.00 0.12 0.00 0.00 56.93 56.34 3hhw s PHE 348 Cb 0.04 -0.60 -0.02 0.00 -0.57 0.00 0.00 43.02 41.87 3hhw s PHE 348 CO 0.37 0.02 0.00 0.00 -0.10 0.00 0.00 175.22 175.51 3hhw n VAL 350 N 0.89 1.29 0.02 0.00 0.31 -1.26 -4.97 118.33 114.61 3hhw n VAL 350 Ca -0.19 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 3hhw n VAL 350 Cb 0.58 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 3hhw n VAL 350 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hhw n GLY 351 N 1.64 -0.03 3.51 2.92 0.00 -1.26 -5.10 105.19 106.85 3hhw n GLY 351 Ca -0.37 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.36 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 -5.18 3.95 0.03 1.61 3.84 -1.26 -5.15 116.67 114.51 3hhw s ASP 352 Ca 0.00 -0.59 0.00 0.00 -0.00 0.00 0.00 52.55 51.96 3hhw s ASP 352 Cb 0.00 -0.57 -0.03 0.00 -1.38 0.00 0.00 42.92 40.95 3hhw s ASP 352 CO 0.00 0.15 -0.04 0.54 -0.00 0.00 0.00 175.17 175.82 3hhw s ASN 353 N -2.37 0.44 0.16 2.11 2.20 -1.26 -4.84 114.94 111.38 3hhw s ASN 353 Ca 0.20 -0.65 -0.14 0.00 -0.94 0.00 0.00 52.86 51.33 3hhw s ASN 353 Cb -0.10 0.11 -0.07 0.00 -2.00 0.00 0.00 41.25 39.19 3hhw s ASN 353 CO 0.11 -0.36 0.56 -0.75 -2.94 0.00 0.00 177.10 173.72 3hhw s LYS 354 N -2.17 3.96 0.07 3.55 2.20 -1.26 -5.10 119.74 121.00 3hhw s LYS 354 Ca -0.08 0.47 -0.05 0.00 -0.36 0.00 0.00 55.97 55.95 3hhw s LYS 354 Cb -0.05 -2.88 -0.02 0.00 -1.51 0.00 0.00 37.83 33.37 3hhw s LYS 354 CO -0.03 0.44 0.09 1.52 -0.36 0.00 0.00 175.35 177.01 3hhw s TYR 355 N -1.53 0.34 -0.25 4.03 -0.85 -1.26 -4.83 117.35 113.00 3hhw s TYR 355 Ca 0.40 -0.82 0.11 0.00 -0.52 0.00 0.00 57.07 56.24 3hhw s TYR 355 Cb -0.14 -0.22 0.33 0.00 0.38 0.00 0.00 41.96 42.31 3hhw s TYR 355 CO 0.19 -0.47 1.39 -2.37 -1.52 0.00 0.00 175.55 172.77 3hhw n THR 356 N 0.01 0.09 0.79 -3.49 5.66 -1.26 -5.00 114.28 111.08 3hhw n THR 356 Ca -0.14 -0.93 0.09 0.00 -3.05 0.00 0.00 64.05 60.03 3hhw n THR 356 Cb 0.62 0.92 0.45 0.00 -1.55 0.00 0.00 70.33 70.77 3hhw n THR 356 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3hhw n PRO 357 N -1.10 0.13 -0.09 1.09 -0.02 -1.26 -3.12 135.00 130.63 3hhw n PRO 357 Ca -0.18 0.14 -0.16 0.00 -2.02 0.00 0.00 63.50 61.28 3hhw n PRO 357 Cb 0.84 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.75 3hhw n PRO 357 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3hhw n ASP 358 N -1.40 1.95 -4.57 2.55 9.92 -1.26 -4.92 116.55 118.82 3hhw n ASP 358 Ca 0.07 0.07 -0.40 0.00 -0.53 0.00 0.00 54.79 54.00 3hhw n ASP 358 Cb 0.19 -0.41 -0.03 0.00 -0.64 0.00 0.00 41.12 40.24 3hhw n ASP 358 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3hhw s ASP 359 N -6.16 5.73 -0.12 -2.24 -1.08 -1.18 -4.81 116.67 106.81 3hhw s ASP 359 Ca -0.24 0.42 -0.14 0.00 -0.52 0.00 0.00 52.55 52.07 3hhw s ASP 359 Cb 0.08 -2.54 -0.05 0.00 -1.46 0.00 0.00 42.92 38.96 3hhw s ASP 359 CO 0.35 -2.00 -0.26 -1.20 0.52 0.00 0.00 175.17 172.58 3hhw n SER 360 N 11.01 1.62 0.00 -0.34 7.64 -1.26 -4.91 113.62 127.38 3hhw n SER 360 Ca 0.17 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.32 3hhw n SER 360 Cb 0.50 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 3hhw n SER 360 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3hhw n THR 361 N -4.12 0.00 0.00 0.44 -2.24 -1.26 -5.12 114.28 101.98 3hhw n THR 361 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3hhw n THR 361 Cb 0.39 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 3hhw n THR 361 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hhw n GLY 362 N 1.64 -1.30 0.00 3.38 0.00 -1.26 -4.97 105.19 102.69 3hhw n GLY 362 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 0.00 2.58 3.83 -0.02 0.00 -1.26 -5.06 105.19 105.27 3hhw n GLY 363 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3hhw n GLY 363 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hhw n LEU 364 N 0.00 0.89 -1.12 0.99 4.77 -1.26 -4.78 117.00 116.48 3hhw n LEU 364 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hhw n LEU 364 Cb 0.00 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 39.71 3hhw n LEU 364 CO 0.00 -0.47 0.46 0.41 -1.33 0.00 0.00 177.39 176.47 3hhw n THR 365 N -2.01 0.92 0.20 -5.08 -1.04 -1.26 -4.27 114.28 101.75 3hhw n THR 365 Ca 0.00 -0.08 -0.01 0.00 -2.04 0.00 0.00 64.05 61.92 3hhw n THR 365 Cb 0.02 -0.98 0.13 0.00 -1.82 0.00 0.00 70.33 67.68 3hhw n THR 365 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3hhw n THR 366 N 0.81 1.34 0.65 12.58 -2.24 -1.26 -4.18 114.28 121.98 3hhw n THR 366 Ca 0.00 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 3hhw n THR 366 Cb 0.39 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 3hhw n THR 366 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3hhw n ASN 367 N 0.13 1.96 -4.20 3.42 3.02 -1.26 -4.79 115.26 113.53 3hhw n ASN 367 Ca 0.15 -1.31 -0.15 0.00 -0.03 0.00 0.00 54.58 53.24 3hhw n ASN 367 Cb 0.73 -0.33 -0.11 0.00 -0.61 0.00 0.00 39.78 39.47 3hhw n ASN 367 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hhw s ALA 368 N 0.35 1.25 0.99 5.41 0.00 -1.26 -5.16 121.76 123.33 3hhw s ALA 368 Ca 0.00 -1.26 -0.11 0.00 0.00 0.00 0.00 51.96 50.59 3hhw s ALA 368 Cb 0.00 0.01 0.19 0.00 0.00 0.00 0.00 23.12 23.32 3hhw s ALA 368 CO 0.00 -0.02 1.11 -1.25 0.00 0.00 0.00 175.76 175.60 3hhw s PRO 369 N -2.92 0.46 0.98 0.00 0.04 -1.26 -4.99 135.00 127.31 3hhw s PRO 369 Ca 0.08 1.32 -0.13 0.00 0.04 0.00 0.00 61.00 62.31 3hhw s PRO 369 Cb -0.02 -1.68 0.07 0.00 0.04 0.00 0.00 34.50 32.91 3hhw s PRO 369 CO 0.01 -2.94 0.46 -2.30 0.04 0.00 0.00 177.00 172.27 3hhw n PRO 370 N -4.42 -0.60 0.01 0.56 -0.02 -1.26 -5.00 135.00 124.27 3hhw n PRO 370 Ca 0.09 -0.13 -0.02 0.00 -2.02 0.00 0.00 63.50 61.42 3hhw n PRO 370 Cb 0.53 -1.91 -0.01 0.00 -0.02 0.00 0.00 33.50 32.09 3hhw n PRO 370 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3hhw h GLN 371 N -1.73 -0.11 0.00 -0.52 4.15 -1.98 -3.48 115.11 111.45 3hhw h GLN 371 Ca -0.46 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.97 3hhw h GLN 371 Cb 1.29 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.01 3hhw h GLN 371 CO 0.36 -0.07 0.00 0.41 -1.93 0.00 0.00 178.83 177.60 3hhw n GLY 372 N 1.46 1.33 0.91 2.39 0.00 -1.26 -4.73 105.19 105.28 3hhw n GLY 372 Ca -0.01 -1.46 0.05 0.00 0.00 0.00 0.00 46.02 44.59 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 1.06 -2.42 1.61 1.74 -1.26 -4.83 116.66 112.55 3hhw n ARG 373 Ca 0.00 -2.87 -0.43 0.00 -0.77 0.00 0.00 57.85 53.78 3hhw n ARG 373 Cb 0.00 -1.08 -0.02 0.00 -1.02 0.00 0.00 32.46 30.34 3hhw n ARG 373 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hhw s ASP 374 N -2.82 6.74 0.43 0.55 2.15 -1.26 -4.92 116.67 117.54 3hhw s ASP 374 Ca 0.37 1.34 0.13 0.00 0.43 0.00 0.00 52.55 54.81 3hhw s ASP 374 Cb 0.38 -2.54 0.99 0.00 -0.30 0.00 0.00 42.92 41.45 3hhw s ASP 374 CO -0.10 -0.99 1.98 1.62 -0.17 0.00 0.00 175.17 177.51 3hhw h VAL 375 N 5.84 0.92 -0.29 1.11 3.04 -1.96 -2.51 116.25 122.40 3hhw h VAL 375 Ca -0.26 -0.15 -0.02 0.00 -1.01 0.00 0.00 66.70 65.25 3hhw h VAL 375 Cb 1.10 0.44 -0.01 0.00 -2.01 0.00 0.00 31.29 30.80 3hhw h VAL 375 CO 1.02 0.08 0.09 0.58 -1.01 0.00 0.00 177.57 178.33 3hhw h VAL 376 N 0.45 1.20 -0.67 1.51 2.07 -1.94 -0.55 116.25 118.32 3hhw h VAL 376 Ca 0.27 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 3hhw h VAL 376 Cb 0.47 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3hhw h VAL 376 CO -0.08 0.22 0.25 -0.33 0.02 0.00 0.00 177.57 177.65 3hhw h GLU 377 N 0.31 1.00 -0.11 1.57 5.08 -1.87 -2.16 114.58 118.39 3hhw h GLU 377 Ca 0.09 -0.18 -0.17 0.00 -1.00 0.00 0.00 59.36 58.10 3hhw h GLU 377 Cb 0.25 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3hhw h GLU 377 CO -0.00 0.83 -0.66 -1.49 -1.00 0.00 0.00 179.01 176.68 3hhw h TRP 378 N 0.97 0.58 -0.21 4.33 4.06 -1.27 -0.92 115.95 123.50 3hhw h TRP 378 Ca 0.22 -0.24 -0.11 0.00 2.06 0.00 0.00 58.89 60.82 3hhw h TRP 378 Cb 0.22 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.27 3hhw h TRP 378 CO 0.02 0.98 -0.36 -0.07 -3.56 0.00 0.00 178.44 175.44 3hhw h LEU 379 N 0.31 0.47 -0.39 -4.49 3.38 -1.00 0.80 115.31 114.39 3hhw h LEU 379 Ca -0.02 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.64 3hhw h LEU 379 Cb 1.22 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3hhw h LEU 379 CO 0.12 0.79 -0.23 1.23 0.09 0.00 0.00 178.44 180.44 3hhw h GLY 380 N 1.09 0.92 1.24 0.83 0.00 -1.26 -1.74 103.07 104.15 3hhw h GLY 380 Ca 0.04 -0.86 -0.13 0.00 0.00 0.00 0.00 47.33 46.39 3hhw h GLY 380 CO 0.07 0.78 -0.25 -0.25 0.00 0.00 0.00 176.54 176.89 3hhw h TRP 381 N 0.66 1.00 -0.62 5.60 7.01 -1.02 -2.77 115.95 125.80 3hhw h TRP 381 Ca 0.08 -0.24 -0.08 0.00 2.11 0.00 0.00 58.89 60.76 3hhw h TRP 381 Cb 0.80 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.60 3hhw h TRP 381 CO 0.06 1.02 0.08 0.35 -2.79 0.00 0.00 178.44 177.16 3hhw h PHE 382 N 0.75 1.10 0.00 2.65 3.57 -0.81 -2.38 116.94 121.82 3hhw h PHE 382 Ca 0.09 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 3hhw h PHE 382 Cb 0.79 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 3hhw h PHE 382 CO 0.05 0.94 -0.02 1.49 -2.23 0.00 0.00 178.31 178.53 3hhw h GLU 383 N 0.96 0.00 0.00 1.11 4.81 -1.16 -0.67 114.58 119.63 3hhw h GLU 383 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3hhw h GLU 383 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3hhw h GLU 383 CO 0.02 0.02 0.00 -0.44 -0.73 0.00 0.00 179.01 177.88 3hhw h ASP 384 N 0.00 0.00 -0.78 1.04 3.32 -1.15 -3.21 116.42 115.64 3hhw h ASP 384 Ca -0.00 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.80 3hhw h ASP 384 Cb 0.04 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.44 3hhw h ASP 384 CO 0.00 0.00 0.32 0.00 -1.72 0.00 0.00 179.24 177.84 3hhw n GLN 385 N -2.60 3.63 -3.87 3.56 1.13 -0.29 -4.90 117.38 114.03 3hhw n GLN 385 Ca 0.03 -3.10 -0.29 0.00 -1.94 0.00 0.00 57.00 51.70 3hhw n GLN 385 Cb 0.37 -2.23 0.03 0.00 0.11 0.00 0.00 30.24 28.52 3hhw n GLN 385 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3hhw n ASN 386 N -0.24 -4.89 -3.15 1.08 3.02 -1.21 -1.85 115.26 108.02 3hhw n ASN 386 Ca 0.44 -0.75 -0.15 0.00 -0.03 0.00 0.00 54.58 54.08 3hhw n ASN 386 Cb 1.44 -4.04 -0.02 0.00 -0.61 0.00 0.00 39.78 36.54 3hhw n ASN 386 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3hhw n ARG 387 N -4.72 -2.42 -4.95 3.52 1.85 -1.00 -4.95 116.66 103.99 3hhw n ARG 387 Ca 0.03 0.16 -0.32 0.00 -1.00 0.00 0.00 57.85 56.71 3hhw n ARG 387 Cb 0.54 -4.72 -0.15 0.00 -1.05 0.00 0.00 32.46 27.08 3hhw n ARG 387 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 3hhw s LYS 388 N -5.73 3.10 0.27 2.89 2.20 -0.77 -5.06 119.74 116.64 3hhw s LYS 388 Ca 0.27 -0.76 -0.31 0.00 -0.36 0.00 0.00 55.97 54.82 3hhw s LYS 388 Cb -0.16 -2.47 -0.12 0.00 -1.51 0.00 0.00 37.83 33.57 3hhw s LYS 388 CO 0.34 0.28 1.56 -2.30 -0.36 0.00 0.00 175.35 174.86 3hhw n PRO 389 N 3.30 2.51 -2.45 4.03 -0.02 -1.26 -4.85 135.00 136.25 3hhw n PRO 389 Ca -0.18 0.89 -0.31 0.00 -2.02 0.00 0.00 63.50 61.89 3hhw n PRO 389 Cb 0.53 -2.65 -0.02 0.00 -0.02 0.00 0.00 33.50 31.34 3hhw n PRO 389 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hhw s THR 390 N 0.13 4.71 0.37 3.45 -4.23 -1.26 -4.87 115.64 113.94 3hhw s THR 390 Ca 0.67 0.79 0.20 0.00 -1.18 0.00 0.00 61.69 62.17 3hhw s THR 390 Cb -0.55 -3.78 0.37 0.00 1.34 0.00 0.00 72.50 69.89 3hhw s THR 390 CO 0.47 -0.77 1.64 -0.65 -0.54 0.00 0.00 174.62 174.77 3hhw h PRO 391 N 0.62 0.19 -0.20 3.99 0.11 -1.99 0.04 132.00 134.76 3hhw h PRO 391 Ca -0.46 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hhw h PRO 391 Cb 1.19 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3hhw h PRO 391 CO 0.62 0.12 0.12 0.22 -0.21 0.00 0.00 178.00 178.88 3hhw h ASP 392 N 0.19 0.25 -0.46 -2.05 -0.00 -1.99 0.14 116.42 112.51 3hhw h ASP 392 Ca 0.78 -0.06 -0.05 0.00 -0.00 0.00 0.00 57.03 57.69 3hhw h ASP 392 Cb 2.01 -0.06 -0.02 0.00 -0.00 0.00 0.00 39.33 41.26 3hhw h ASP 392 CO -0.59 0.24 0.08 0.24 -0.00 0.00 0.00 179.24 179.21 3hhw h MET 393 N 0.24 0.76 -0.19 0.28 2.86 -1.40 0.29 114.93 117.77 3hhw h MET 393 Ca 0.07 -0.20 0.03 0.00 -2.06 0.00 0.00 59.70 57.54 3hhw h MET 393 Cb 0.04 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 3hhw h MET 393 CO -0.01 0.77 0.02 0.52 1.06 0.00 0.00 176.91 179.26 3hhw h MET 394 N 0.63 0.08 -0.39 1.72 2.86 -1.13 -0.85 114.93 117.85 3hhw h MET 394 Ca 0.14 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 3hhw h MET 394 Cb 0.37 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 3hhw h MET 394 CO 0.01 0.05 0.21 0.37 1.06 0.00 0.00 176.91 178.61 3hhw h GLN 395 N 0.08 0.54 -0.39 1.72 5.75 -0.86 -0.35 115.11 121.60 3hhw h GLN 395 Ca 0.09 -0.07 0.07 0.00 -0.15 0.00 0.00 58.65 58.59 3hhw h GLN 395 Cb 0.10 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 28.48 3hhw h GLN 395 CO -0.14 0.45 -0.00 -0.92 -2.65 0.00 0.00 178.83 175.57 3hhw h TYR 396 N 0.49 -0.03 -0.23 3.99 3.20 -0.53 0.07 116.97 123.93 3hhw h TYR 396 Ca 0.14 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 3hhw h TYR 396 Cb 0.07 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3hhw h TYR 396 CO -0.02 -0.08 -0.29 0.00 -1.64 0.00 0.00 178.16 176.12 3hhw h ALA 397 N 1.35 1.08 -0.45 1.82 0.00 -1.00 -2.30 119.26 119.75 3hhw h ALA 397 Ca 0.19 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3hhw h ALA 397 Cb 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3hhw h ALA 397 CO -0.33 0.57 0.20 -0.22 0.00 0.00 0.00 179.25 179.47 3hhw h LYS 398 N 0.39 0.66 -0.75 0.00 3.64 -0.12 -2.58 116.57 117.81 3hhw h LYS 398 Ca 0.05 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 3hhw h LYS 398 Cb 0.72 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 3hhw h LYS 398 CO 0.05 0.59 0.39 0.00 -2.27 0.00 0.00 179.45 178.21 3hhw h ARG 399 N 0.59 1.05 0.00 1.90 2.47 -0.81 -1.11 114.38 118.47 3hhw h ARG 399 Ca 0.15 -0.13 -0.05 0.00 -1.26 0.00 0.00 59.98 58.70 3hhw h ARG 399 Cb 0.15 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 3hhw h ARG 399 CO -0.02 0.79 -0.23 0.00 0.56 0.00 0.00 179.97 181.07 3hhw h ALA 400 N 1.37 1.49 0.00 0.04 0.00 -1.04 -3.31 119.26 117.81 3hhw h ALA 400 Ca 0.26 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3hhw h ALA 400 Cb 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hhw h ALA 400 CO -0.04 0.29 -1.67 1.33 0.00 0.00 0.00 179.25 179.15 3hhw n VAL 401 N -4.07 0.49 0.26 0.00 0.24 -1.03 -4.74 118.33 109.47 3hhw n VAL 401 Ca -0.02 -0.40 0.17 0.00 -2.04 0.00 0.00 64.34 62.05 3hhw n VAL 401 Cb 0.30 -0.39 0.89 0.00 -1.47 0.00 0.00 33.84 33.18 3hhw n VAL 401 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hhw h MET 402 N 0.00 0.00 0.00 7.34 3.00 -1.29 -1.16 114.93 122.82 3hhw h MET 402 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 59.70 59.42 3hhw h MET 402 Cb 1.28 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.87 3hhw h MET 402 CO 0.01 0.00 -0.47 0.77 0.00 0.00 0.00 176.91 177.22 3hhw h SER 403 N 0.00 0.00 -3.24 -0.10 0.02 -1.85 -3.47 113.55 104.90 3hhw h SER 403 Ca 0.04 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.42 3hhw h SER 403 Cb 0.27 0.00 0.12 0.00 0.14 0.00 0.00 62.40 62.93 3hhw h SER 403 CO -0.00 0.39 0.42 0.18 -1.14 0.00 0.00 176.83 176.67 3hhw n LEU 404 N -3.16 3.34 -3.79 5.07 4.77 -0.44 -5.01 117.00 117.78 3hhw n LEU 404 Ca 0.02 1.16 -0.13 0.00 -0.03 0.00 0.00 56.01 57.03 3hhw n LEU 404 Cb 0.69 -1.45 -0.10 0.00 -2.33 0.00 0.00 43.42 40.24 3hhw n LEU 404 CO 0.39 -0.75 -0.05 -1.58 -1.33 0.00 0.00 177.39 174.07 3hhw s GLN 405 N -1.94 0.55 -0.85 3.23 0.74 -1.26 -4.89 119.66 115.24 3hhw s GLN 405 Ca 0.58 -0.13 -0.05 0.00 0.05 0.00 0.00 55.36 55.81 3hhw s GLN 405 Cb -0.57 0.24 0.01 0.00 1.10 0.00 0.00 33.01 33.79 3hhw s GLN 405 CO 0.60 -0.13 0.65 0.41 -0.55 0.00 0.00 175.29 176.27 3hhw n GLY 406 N 1.67 0.03 3.74 2.59 0.00 -1.26 -5.01 105.19 106.96 3hhw n GLY 406 Ca -0.20 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 3hhw n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hhw s LEU 407 N -4.71 4.57 0.34 0.99 1.43 -1.26 -5.05 118.68 114.98 3hhw s LEU 407 Ca 0.32 1.98 -0.06 0.00 -1.03 0.00 0.00 54.13 55.35 3hhw s LEU 407 Cb -0.14 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.42 3hhw s LEU 407 CO 0.40 -0.01 0.63 -0.13 0.23 0.00 0.00 176.35 177.46 3hhw s ARG 408 N -0.76 3.64 0.44 1.70 0.52 -1.26 -4.95 118.95 118.27 3hhw s ARG 408 Ca 0.45 0.09 -0.24 0.00 -0.52 0.00 0.00 55.73 55.50 3hhw s ARG 408 Cb -0.27 -2.56 -0.09 0.00 0.52 0.00 0.00 34.95 32.55 3hhw s ARG 408 CO 0.33 0.10 1.17 0.39 0.02 0.00 0.00 175.30 177.32 3hhw n GLU 409 N -1.27 1.66 -3.16 3.54 1.02 -1.26 -3.37 120.64 117.80 3hhw n GLU 409 Ca -0.01 0.60 -0.23 0.00 -0.02 0.00 0.00 57.16 57.50 3hhw n GLU 409 Cb 0.54 -2.26 0.04 0.00 -0.02 0.00 0.00 31.44 29.74 3hhw n GLU 409 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3hhw n LYS 410 N -0.04 -5.22 -4.29 3.49 4.81 -1.26 -4.96 118.16 110.69 3hhw n LYS 410 Ca 0.08 0.85 -0.23 0.00 -0.87 0.00 0.00 58.31 58.14 3hhw n LYS 410 Cb 0.40 -5.73 -0.07 0.00 0.02 0.00 0.00 35.03 29.64 3hhw n LYS 410 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3hhw s THR 411 N -3.18 3.30 0.34 3.15 -4.23 -1.22 -0.63 115.64 113.18 3hhw s THR 411 Ca 0.36 -1.93 0.03 0.00 -1.18 0.00 0.00 61.69 58.98 3hhw s THR 411 Cb -0.16 -2.82 0.20 0.00 1.34 0.00 0.00 72.50 71.05 3hhw s THR 411 CO 0.45 -0.35 1.92 0.40 -0.54 0.00 0.00 174.62 176.50 3hhw h ILE 412 N 1.87 1.18 0.15 2.99 2.04 -0.97 -0.72 117.51 124.05 3hhw h ILE 412 Ca -0.44 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 3hhw h ILE 412 Cb 1.25 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 3hhw h ILE 412 CO 0.61 0.23 -0.08 1.23 0.00 0.00 0.00 178.15 180.14 3hhw h GLY 413 N 0.82 -0.22 1.29 5.37 0.00 -1.18 0.21 103.07 109.36 3hhw h GLY 413 Ca 0.15 0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.60 3hhw h GLY 413 CO -0.01 -0.08 0.39 1.70 0.00 0.00 0.00 176.54 178.54 3hhw h LYS 414 N -0.21 0.66 0.30 4.80 1.63 -1.67 -2.43 116.57 119.65 3hhw h LYS 414 Ca -0.02 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 3hhw h LYS 414 Cb 0.16 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 3hhw h LYS 414 CO 0.03 0.43 -0.14 -0.92 -3.45 0.00 0.00 179.45 175.40 3hhw h TYR 415 N 0.68 -0.37 -0.63 1.91 3.20 -0.84 -2.97 116.97 117.94 3hhw h TYR 415 Ca 0.24 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.14 3hhw h TYR 415 Cb 0.11 0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.46 3hhw h TYR 415 CO -0.00 -0.03 0.37 0.00 -1.64 0.00 0.00 178.16 176.86 3hhw h ALA 416 N -0.31 0.83 -0.56 1.82 0.00 -0.76 -1.57 119.26 118.71 3hhw h ALA 416 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3hhw h ALA 416 Cb 0.51 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3hhw h ALA 416 CO 0.07 0.07 0.23 -0.22 0.00 0.00 0.00 179.25 179.41 3hhw h LYS 417 N 0.70 0.83 0.00 0.00 3.64 -1.55 -0.92 116.57 119.27 3hhw h LYS 417 Ca 0.27 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 3hhw h LYS 417 Cb 0.11 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3hhw h LYS 417 CO -0.14 0.71 -0.13 1.03 -2.27 0.00 0.00 179.45 178.65 3hhw h SER 418 N 0.76 0.00 0.06 4.20 0.87 -1.21 -1.71 113.55 116.52 3hhw h SER 418 Ca 0.19 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.51 3hhw h SER 418 Cb 0.18 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 3hhw h SER 418 CO -0.02 0.13 -1.28 -0.08 -0.53 0.00 0.00 176.83 175.05 3hhw h GLU 419 N 0.00 0.13 0.00 2.24 4.57 -0.72 -3.42 114.58 117.38 3hhw h GLU 419 Ca -0.00 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 3hhw h GLU 419 Cb 0.30 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 3hhw h GLU 419 CO 0.02 1.11 -1.75 1.19 -1.18 0.00 0.00 179.01 178.39 3hhw n PHE 420 N -4.13 0.00 -3.65 0.92 3.72 -0.40 -4.77 117.46 109.14 3hhw n PHE 420 Ca -0.27 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.76 3hhw n PHE 420 Cb 0.79 -0.38 -0.07 0.00 -0.94 0.00 0.00 39.48 38.88 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 -3.95 5.81 0.00 4.37 2.15 -0.65 -4.38 116.67 120.02 3hhw s ASP 421 Ca -0.06 -3.46 0.00 0.00 0.43 0.00 0.00 52.55 49.46 3hhw s ASP 421 Cb 0.11 -1.90 0.00 0.00 -0.30 0.00 0.00 42.92 40.83 3hhw s ASP 421 CO 0.73 -0.24 0.00 2.29 -0.17 0.00 0.00 175.17 177.78