#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ffs h LYS 4 N 0.00 0.00 -6.03 1.09 -0.00 -2.14 -3.42 116.57 106.07 3ffs h LYS 4 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 60.65 60.08 3ffs h LYS 4 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 32.23 32.13 3ffs h LYS 4 CO 0.00 0.00 0.86 1.21 -0.00 0.00 0.00 179.45 181.52 3ffs s ASN 5 N -5.56 6.18 0.04 7.07 3.84 -1.26 -4.94 114.94 120.30 3ffs s ASN 5 Ca 0.00 -0.62 -0.27 0.00 0.21 0.00 0.00 52.86 52.19 3ffs s ASN 5 Cb 0.09 -2.51 -0.15 0.00 -0.55 0.00 0.00 41.25 38.14 3ffs s ASN 5 CO 0.52 -1.67 1.34 0.40 -2.79 0.00 0.00 177.10 174.90 3ffs h ILE 6 N 6.01 0.00 0.00 -5.21 2.04 -2.08 -3.49 117.51 114.78 3ffs h ILE 6 Ca -0.28 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3ffs h ILE 6 Cb 1.06 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3ffs h ILE 6 CO 1.24 0.00 0.00 0.61 0.00 0.00 0.00 178.15 180.00 3ffs n GLY 7 N -1.29 -2.32 3.69 5.37 0.00 -1.26 -5.12 105.19 104.26 3ffs n GLY 7 Ca -0.12 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 3ffs n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ffs s LYS 8 N -1.92 4.19 -0.16 1.61 0.00 -1.26 -5.00 119.74 117.19 3ffs s LYS 8 Ca 0.00 2.38 -0.00 0.00 0.00 0.00 0.00 55.97 58.35 3ffs s LYS 8 Cb 0.00 -3.60 -0.00 0.00 0.00 0.00 0.00 37.83 34.23 3ffs s LYS 8 CO 0.00 -0.75 -0.14 0.20 0.00 0.00 0.00 175.35 174.65 3ffs s GLY 9 N 2.47 1.49 -0.05 0.59 0.00 -1.26 -5.01 107.32 105.54 3ffs s GLY 9 Ca 0.75 -1.05 -0.02 0.00 0.00 0.00 0.00 44.72 44.40 3ffs s GLY 9 CO 0.33 0.05 0.06 1.08 0.00 0.00 0.00 173.10 174.62 3ffs s LEU 10 N 0.85 3.86 0.00 0.66 1.43 -1.26 -4.77 118.68 119.46 3ffs s LEU 10 Ca -0.04 0.20 0.05 0.00 -1.03 0.00 0.00 54.13 53.30 3ffs s LEU 10 Cb -0.15 -2.07 0.05 0.00 0.03 0.00 0.00 46.19 44.04 3ffs s LEU 10 CO -0.00 0.33 0.40 1.07 0.23 0.00 0.00 176.35 178.38 3ffs n THR 11 N 1.66 0.00 -0.21 5.49 5.66 -1.26 -1.49 114.28 124.12 3ffs n THR 11 Ca -0.16 -1.32 -0.07 0.00 -3.05 0.00 0.00 64.05 59.45 3ffs n THR 11 Cb 0.53 -0.46 0.03 0.00 -1.55 0.00 0.00 70.33 68.88 3ffs n THR 11 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 175.07 171.76 3ffs h PHE 12 N 0.31 0.88 0.00 1.09 0.05 -1.96 -1.44 116.94 115.88 3ffs h PHE 12 Ca -0.20 -0.05 0.00 0.00 3.82 0.00 0.00 57.97 61.54 3ffs h PHE 12 Cb 0.81 -0.27 0.00 0.00 2.00 0.00 0.00 35.95 38.49 3ffs h PHE 12 CO 0.00 0.69 0.00 0.39 -0.18 0.00 0.00 178.31 179.21 3ffs n GLU 13 N -4.50 0.16 0.10 1.51 1.02 -1.26 -3.08 120.64 114.59 3ffs n GLU 13 Ca 0.04 0.54 0.02 0.00 -0.02 0.00 0.00 57.16 57.74 3ffs n GLU 13 Cb 0.14 -1.92 -0.02 0.00 -0.02 0.00 0.00 31.44 29.63 3ffs n GLU 13 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3ffs h ASP 14 N 0.00 0.00 -4.33 1.62 3.32 -1.59 -3.46 116.42 111.98 3ffs h ASP 14 Ca 0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 3ffs h ASP 14 Cb 0.16 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.52 3ffs h ASP 14 CO 0.00 0.50 -0.74 0.27 -1.72 0.00 0.00 179.24 177.55 3ffs s ILE 15 N -2.97 1.02 0.22 0.35 -0.00 -1.18 -0.60 121.20 118.05 3ffs s ILE 15 Ca 0.01 -1.61 0.11 0.00 -0.00 0.00 0.00 60.65 59.16 3ffs s ILE 15 Cb 0.08 -1.34 -0.04 0.00 -0.00 0.00 0.00 42.46 41.15 3ffs s ILE 15 CO 0.77 -0.50 -0.15 -0.76 -0.00 0.00 0.00 174.94 174.30 3ffs s LEU 16 N -2.36 2.75 0.07 0.37 1.43 -0.69 -4.92 118.68 115.33 3ffs s LEU 16 Ca 0.05 -0.79 -0.18 0.00 -1.03 0.00 0.00 54.13 52.18 3ffs s LEU 16 Cb -0.04 -1.38 -0.07 0.00 0.03 0.00 0.00 46.19 44.73 3ffs s LEU 16 CO 0.01 0.08 0.55 -0.76 0.23 0.00 0.00 176.35 176.45 3ffs s LEU 17 N -3.10 4.50 -0.08 1.79 1.43 -1.26 -1.64 118.68 120.32 3ffs s LEU 17 Ca 0.26 1.20 -0.23 0.00 -1.03 0.00 0.00 54.13 54.33 3ffs s LEU 17 Cb -0.07 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 3ffs s LEU 17 CO 0.14 0.26 0.70 -0.69 0.23 0.00 0.00 176.35 176.99 3ffs s VAL 18 N -1.15 5.04 0.51 -1.59 1.01 -0.91 -4.88 120.40 118.44 3ffs s VAL 18 Ca 0.29 1.43 -0.21 0.00 0.00 0.00 0.00 61.98 63.49 3ffs s VAL 18 Cb -0.19 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 3ffs s VAL 18 CO 0.18 0.24 1.15 -2.84 0.00 0.00 0.00 175.10 173.83 3ffs s PRO 19 N 0.90 3.49 0.41 2.72 0.02 -1.26 -4.79 135.00 136.48 3ffs s PRO 19 Ca 0.37 1.69 0.05 0.00 0.02 0.00 0.00 61.00 63.12 3ffs s PRO 19 Cb -0.17 -2.15 -0.06 0.00 0.02 0.00 0.00 34.50 32.13 3ffs s PRO 19 CO 0.17 -0.75 0.03 -0.80 -0.33 0.00 0.00 177.00 175.32 3ffs s ASN 20 N -1.60 3.45 0.21 2.53 -0.87 -0.65 -4.96 114.94 113.04 3ffs s ASN 20 Ca 0.70 -1.45 -0.32 0.00 -1.57 0.00 0.00 52.86 50.21 3ffs s ASN 20 Cb -0.26 -0.07 -0.12 0.00 -0.02 0.00 0.00 41.25 40.77 3ffs s ASN 20 CO 0.30 -0.60 1.68 0.00 -2.57 0.00 0.00 177.10 175.91 3ffs n TYR 21 N -0.95 2.68 -5.05 2.20 9.36 -1.26 -4.49 117.16 119.66 3ffs n TYR 21 Ca -0.07 0.10 -0.28 0.00 3.32 0.00 0.00 57.90 60.97 3ffs n TYR 21 Cb 0.67 -2.64 -0.16 0.00 -0.63 0.00 0.00 39.34 36.57 3ffs n TYR 21 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3ffs s SER 22 N 1.06 2.58 -0.00 2.98 0.15 -1.26 -4.24 113.70 114.97 3ffs s SER 22 Ca 0.75 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.98 3ffs s SER 22 Cb -0.54 -0.63 -0.00 0.00 -1.71 0.00 0.00 66.02 63.14 3ffs s SER 22 CO 0.35 0.21 0.00 -1.84 1.20 0.00 0.00 173.24 173.16 3ffs n GLU 23 N 2.95 0.21 -3.31 5.44 0.00 -1.26 -5.05 120.64 119.62 3ffs n GLU 23 Ca -0.17 -0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.60 3ffs n GLU 23 Cb 0.52 -0.99 -0.06 0.00 0.00 0.00 0.00 31.44 30.92 3ffs n GLU 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 3ffs s VAL 24 N -1.98 5.11 0.51 3.84 -7.23 -1.26 -5.09 120.40 114.30 3ffs s VAL 24 Ca -0.00 1.00 -0.13 0.00 -1.81 0.00 0.00 61.98 61.04 3ffs s VAL 24 Cb 0.00 -3.83 -0.06 0.00 0.56 0.00 0.00 36.38 33.05 3ffs s VAL 24 CO 0.01 0.38 0.93 -0.76 -0.31 0.00 0.00 175.10 175.34 3ffs s LEU 25 N 0.24 3.59 0.30 1.32 2.01 -1.26 -4.69 118.68 120.19 3ffs s LEU 25 Ca 0.27 1.38 0.11 0.00 0.01 0.00 0.00 54.13 55.90 3ffs s LEU 25 Cb -0.16 -4.33 0.96 0.00 0.01 0.00 0.00 46.19 42.67 3ffs s LEU 25 CO 0.12 -0.60 1.39 -2.65 1.01 0.00 0.00 176.35 175.62 3ffs n PRO 26 N -1.83 -0.06 0.24 1.29 -0.01 -1.26 -2.03 135.00 131.34 3ffs n PRO 26 Ca 0.05 1.26 -0.10 0.00 -0.01 0.00 0.00 63.50 64.71 3ffs n PRO 26 Cb 0.54 -2.15 -0.05 0.00 -0.01 0.00 0.00 33.50 31.83 3ffs n PRO 26 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 3ffs h ARG 27 N 0.00 -0.61 -1.67 -0.52 -0.00 -1.92 -3.28 114.38 106.38 3ffs h ARG 27 Ca 0.66 0.04 0.49 0.00 -0.50 0.00 0.00 59.98 60.67 3ffs h ARG 27 Cb 1.60 0.14 -0.08 0.00 0.00 0.00 0.00 29.97 31.63 3ffs h ARG 27 CO -0.75 -0.41 1.19 0.93 0.00 0.00 0.00 179.97 180.94 3ffs h GLU 28 N -0.83 0.02 -6.52 0.04 5.08 -1.79 -3.44 114.58 107.14 3ffs h GLU 28 Ca -0.06 -0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.69 3ffs h GLU 28 Cb 0.48 -0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.82 3ffs h GLU 28 CO 0.11 0.01 0.42 0.28 -1.00 0.00 0.00 179.01 178.83 3ffs n VAL 29 N -4.11 1.26 -2.97 3.13 0.31 -1.21 -4.94 118.33 109.80 3ffs n VAL 29 Ca 0.38 -0.32 -0.42 0.00 -0.01 0.00 0.00 64.34 63.98 3ffs n VAL 29 Cb 1.73 -1.23 -0.05 0.00 -0.91 0.00 0.00 33.84 33.37 3ffs n VAL 29 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3ffs s SER 30 N -0.02 6.67 0.17 4.52 0.15 -0.13 -4.95 113.70 120.10 3ffs s SER 30 Ca 0.66 0.71 0.23 0.00 0.70 0.00 0.00 55.95 58.24 3ffs s SER 30 Cb -0.70 -2.40 -0.01 0.00 -1.71 0.00 0.00 66.02 61.20 3ffs s SER 30 CO 0.54 -0.56 1.00 0.18 1.20 0.00 0.00 173.24 175.60 3ffs n LEU 31 N 6.10 0.75 -4.51 3.45 4.77 -1.26 -3.94 117.00 122.35 3ffs n LEU 31 Ca 0.03 0.28 -0.44 0.00 -0.03 0.00 0.00 56.01 55.85 3ffs n LEU 31 Cb 0.48 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.50 3ffs n LEU 31 CO 0.49 -0.15 0.30 -0.62 -1.33 0.00 0.00 177.39 176.07 3ffs n GLU 32 N -2.58 0.85 -3.71 3.23 -0.58 0.39 -3.96 120.64 114.28 3ffs n GLU 32 Ca -0.00 0.30 -0.03 0.00 -0.42 0.00 0.00 57.16 57.01 3ffs n GLU 32 Cb 0.54 -1.59 -0.01 0.00 -0.57 0.00 0.00 31.44 29.81 3ffs n GLU 32 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3ffs s THR 33 N -1.19 0.00 -0.01 2.62 -1.32 0.10 -4.67 115.64 111.17 3ffs s THR 33 Ca 0.61 -0.53 -0.24 0.00 -1.21 0.00 0.00 61.69 60.33 3ffs s THR 33 Cb -0.71 -1.89 -0.05 0.00 -1.51 0.00 0.00 72.50 68.35 3ffs s THR 33 CO 0.58 0.00 0.72 -1.59 -2.21 0.00 0.00 174.62 172.13 3ffs s LYS 34 N -3.13 4.45 -0.16 7.08 0.00 -1.26 -0.17 119.74 126.54 3ffs s LYS 34 Ca 0.12 0.96 -0.15 0.00 0.00 0.00 0.00 55.97 56.89 3ffs s LYS 34 Cb -0.00 -3.40 -0.12 0.00 0.00 0.00 0.00 37.83 34.31 3ffs s LYS 34 CO 0.00 0.19 0.12 1.25 0.00 0.00 0.00 175.35 176.91 3ffs h LEU 35 N 6.18 0.00 0.00 2.77 5.85 -1.70 -3.43 115.31 124.98 3ffs h LEU 35 Ca -0.43 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 57.96 3ffs h LEU 35 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3ffs h LEU 35 CO 0.73 1.04 0.00 0.35 -0.34 0.00 0.00 178.44 180.22 3ffs n THR 36 N -4.57 0.00 -0.02 1.05 -2.24 -0.87 -4.76 114.28 102.88 3ffs n THR 36 Ca -0.16 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.60 3ffs n THR 36 Cb 0.42 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.65 3ffs n THR 36 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3ffs n LYS 37 N 0.00 0.13 0.00 -0.78 0.00 -1.26 -4.50 118.16 111.74 3ffs n LYS 37 Ca 0.00 0.26 0.12 0.00 -0.00 0.00 0.00 58.31 58.70 3ffs n LYS 37 Cb 0.00 -0.95 0.65 0.00 -0.00 0.00 0.00 35.03 34.73 3ffs n LYS 37 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3ffs n ASN 38 N -2.93 0.00 -4.44 -5.58 3.02 -1.26 -4.68 115.26 99.40 3ffs n ASN 38 Ca -0.02 -0.14 -0.30 0.00 -0.03 0.00 0.00 54.58 54.08 3ffs n ASN 38 Cb 0.09 -0.26 -0.13 0.00 -0.61 0.00 0.00 39.78 38.87 3ffs n ASN 38 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ffs s VAL 39 N -2.52 2.67 0.06 2.41 1.01 -1.26 -5.11 120.40 117.66 3ffs s VAL 39 Ca 0.25 -1.29 -0.05 0.00 0.00 0.00 0.00 61.98 60.90 3ffs s VAL 39 Cb 0.17 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3ffs s VAL 39 CO 0.38 0.30 0.08 -0.94 0.00 0.00 0.00 175.10 174.92 3ffs s SER 40 N -1.52 0.28 -0.01 3.32 1.04 -1.26 -2.00 113.70 113.55 3ffs s SER 40 Ca 0.15 -0.77 0.08 0.00 0.48 0.00 0.00 55.95 55.89 3ffs s SER 40 Cb -0.10 0.26 -0.02 0.00 0.10 0.00 0.00 66.02 66.25 3ffs s SER 40 CO 0.05 -0.63 -0.25 -0.76 0.98 0.00 0.00 173.24 172.63 3ffs s LEU 41 N -2.73 2.06 0.12 2.42 1.43 0.76 -4.76 118.68 117.98 3ffs s LEU 41 Ca 0.04 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.62 3ffs s LEU 41 Cb 0.05 -1.27 -0.14 0.00 0.03 0.00 0.00 46.19 44.86 3ffs s LEU 41 CO -0.09 0.30 1.27 0.11 0.23 0.00 0.00 176.35 178.16 3ffs h LYS 42 N 5.42 0.41 -6.84 1.70 1.57 -0.41 0.31 116.57 118.73 3ffs h LYS 42 Ca -0.43 -0.48 -0.69 0.00 -1.87 0.00 0.00 60.65 57.18 3ffs h LYS 42 Cb 1.13 0.14 -0.22 0.00 0.08 0.00 0.00 32.23 33.36 3ffs h LYS 42 CO 0.47 1.15 -0.86 0.96 -0.57 0.00 0.00 179.45 180.60 3ffs s ILE 43 N -3.17 2.35 -0.19 1.86 -4.36 -0.78 -0.46 121.20 116.45 3ffs s ILE 43 Ca -0.06 -1.65 -0.00 0.00 -0.26 0.00 0.00 60.65 58.69 3ffs s ILE 43 Cb 0.08 -2.03 0.17 0.00 1.25 0.00 0.00 42.46 41.93 3ffs s ILE 43 CO 0.88 0.14 1.79 -0.81 0.24 0.00 0.00 174.94 177.17 3ffs n PRO 44 N 1.04 1.50 -4.88 0.37 -0.05 -1.25 -4.07 135.00 127.66 3ffs n PRO 44 Ca -0.17 -1.02 -0.31 0.00 -0.05 0.00 0.00 63.50 61.94 3ffs n PRO 44 Cb 0.53 -1.40 -0.17 0.00 -0.05 0.00 0.00 33.50 32.41 3ffs n PRO 44 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 3ffs s LEU 45 N -1.17 1.98 -0.05 1.53 1.43 -1.26 -1.72 118.68 119.43 3ffs s LEU 45 Ca 0.20 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 3ffs s LEU 45 Cb 0.16 -1.30 0.01 0.00 0.03 0.00 0.00 46.19 45.09 3ffs s LEU 45 CO 0.01 0.10 -0.10 0.27 0.23 0.00 0.00 176.35 176.85 3ffs s ILE 46 N 0.61 0.95 0.50 -0.59 -4.36 -0.99 -3.89 121.20 113.44 3ffs s ILE 46 Ca -0.13 -0.41 -0.23 0.00 -0.26 0.00 0.00 60.65 59.62 3ffs s ILE 46 Cb -0.17 -0.87 -0.06 0.00 1.25 0.00 0.00 42.46 42.61 3ffs s ILE 46 CO 0.04 0.30 1.31 -0.44 0.24 0.00 0.00 174.94 176.40 3ffs s SER 47 N 0.47 5.68 0.37 4.36 0.01 -1.19 -1.41 113.70 122.00 3ffs s SER 47 Ca -0.09 2.66 -0.19 0.00 1.31 0.00 0.00 55.95 59.64 3ffs s SER 47 Cb -0.13 -2.63 -0.10 0.00 0.21 0.00 0.00 66.02 63.37 3ffs s SER 47 CO 0.02 -1.28 0.87 -0.55 0.41 0.00 0.00 173.24 172.70 3ffs s SER 48 N -0.97 6.92 -0.67 2.44 0.15 -0.70 -2.88 113.70 118.00 3ffs s SER 48 Ca 0.67 1.55 -0.08 0.00 0.70 0.00 0.00 55.95 58.79 3ffs s SER 48 Cb -0.38 -2.48 -0.19 0.00 -1.71 0.00 0.00 66.02 61.26 3ffs s SER 48 CO 0.46 -0.26 3.35 0.00 1.20 0.00 0.00 173.24 177.98 3ffs n ALA 49 N -0.38 6.88 -3.32 5.45 0.00 -1.26 -4.12 120.51 123.77 3ffs n ALA 49 Ca 0.05 -2.54 -0.33 0.00 0.00 0.00 0.00 53.44 50.62 3ffs n ALA 49 Cb 0.53 -2.75 -0.16 0.00 0.00 0.00 0.00 19.45 17.07 3ffs n ALA 49 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3ffs s MET 50 N 1.45 3.17 0.56 0.00 -1.94 -1.26 -4.65 119.30 116.62 3ffs s MET 50 Ca 0.68 -0.80 0.26 0.00 -1.71 0.00 0.00 55.69 54.13 3ffs s MET 50 Cb 0.26 -2.48 1.52 0.00 2.01 0.00 0.00 34.83 36.14 3ffs s MET 50 CO -0.03 0.11 2.05 0.38 -0.01 0.00 0.00 175.02 177.53 3ffs h ASP 51 N 6.96 0.00 0.42 3.03 -0.00 -1.89 0.11 116.42 125.05 3ffs h ASP 51 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.77 3ffs h ASP 51 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.54 3ffs h ASP 51 CO 0.53 0.00 -0.05 1.07 -0.00 0.00 0.00 179.24 180.79 3ffs n THR 52 N -4.04 0.00 0.05 1.15 5.66 -1.26 -4.56 114.28 111.28 3ffs n THR 52 Ca 0.04 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 3ffs n THR 52 Cb 0.43 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 68.90 3ffs n THR 52 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 3ffs n VAL 53 N -1.10 0.65 -3.70 1.08 3.14 0.33 -4.57 118.33 114.16 3ffs n VAL 53 Ca 0.15 0.22 -0.38 0.00 -2.96 0.00 0.00 64.34 61.37 3ffs n VAL 53 Cb 0.25 -1.31 -0.11 0.00 -1.06 0.00 0.00 33.84 31.61 3ffs n VAL 53 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3ffs s THR 54 N -2.00 3.68 0.00 1.55 2.01 -0.87 -4.32 115.64 115.70 3ffs s THR 54 Ca 0.00 -1.75 0.00 0.00 0.31 0.00 0.00 61.69 60.25 3ffs s THR 54 Cb 0.00 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 69.13 3ffs s THR 54 CO 0.00 -0.59 0.00 1.21 -0.69 0.00 0.00 174.62 174.55 3ffs n GLU 55 N 4.74 0.00 0.00 4.92 2.13 -1.26 -4.42 120.64 126.75 3ffs n GLU 55 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 3ffs n GLU 55 Cb 0.42 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.13 3ffs n GLU 55 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3ffs n HIS 56 N 0.00 0.00 0.02 4.31 8.25 -1.26 -4.20 115.22 122.34 3ffs n HIS 56 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 3ffs n HIS 56 Cb 0.00 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.15 3ffs n HIS 56 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ffs n LEU 57 N -1.20 0.03 -0.06 2.41 4.77 -1.26 -1.37 117.00 120.33 3ffs n LEU 57 Ca 0.00 0.27 -0.03 0.00 -0.03 0.00 0.00 56.01 56.21 3ffs n LEU 57 Cb 0.00 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 40.81 3ffs n LEU 57 CO 0.00 -0.28 -0.00 -0.03 -1.33 0.00 0.00 177.39 175.75 3ffs h MET 58 N 0.00 0.00 -0.13 3.23 4.05 -1.77 -2.82 114.93 117.49 3ffs h MET 58 Ca 0.00 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.46 3ffs h MET 58 Cb 0.57 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.36 3ffs h MET 58 CO 0.00 0.18 0.15 0.00 0.23 0.00 0.00 176.91 177.46 3ffs h ALA 59 N -0.84 1.70 -3.00 0.39 0.00 -1.39 0.57 119.26 116.70 3ffs h ALA 59 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ffs h ALA 59 Cb 0.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ffs h ALA 59 CO -0.01 -0.21 0.00 0.28 0.00 0.00 0.00 179.25 179.31 3ffs n VAL 60 N -3.78 0.00 -0.34 0.00 0.31 -1.07 -2.25 118.33 111.20 3ffs n VAL 60 Ca 0.00 0.66 0.32 0.00 -0.01 0.00 0.00 64.34 65.31 3ffs n VAL 60 Cb 0.25 -1.58 0.49 0.00 -0.91 0.00 0.00 33.84 32.10 3ffs n VAL 60 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ffs n GLY 61 N -0.19 -0.72 0.16 2.92 0.00 -0.96 -0.30 105.19 106.10 3ffs n GLY 61 Ca 0.00 0.41 -0.18 0.00 0.00 0.00 0.00 46.02 46.25 3ffs n GLY 61 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3ffs h MET 62 N 0.00 0.52 0.02 1.61 2.86 -0.93 -3.10 114.93 115.91 3ffs h MET 62 Ca 0.56 -0.55 -0.29 0.00 -2.06 0.00 0.00 59.70 57.36 3ffs h MET 62 Cb 2.78 0.15 -0.04 0.00 0.06 0.00 0.00 31.60 34.55 3ffs h MET 62 CO -0.01 1.18 -1.63 0.00 1.06 0.00 0.00 176.91 177.52 3ffs h ALA 63 N 0.36 0.67 0.00 6.32 0.00 -0.20 0.17 119.26 126.58 3ffs h ALA 63 Ca -0.09 -1.37 0.00 0.00 0.00 0.00 0.00 54.91 53.45 3ffs h ALA 63 Cb 1.44 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.64 3ffs h ALA 63 CO 0.15 1.50 0.00 2.89 0.00 0.00 0.00 179.25 183.79 3ffs n ARG 64 N -3.14 0.11 0.00 0.00 -4.01 -0.78 0.22 116.66 109.06 3ffs n ARG 64 Ca -0.16 0.14 0.08 0.00 -1.04 0.00 0.00 57.85 56.88 3ffs n ARG 64 Cb 1.04 -1.64 -0.02 0.00 -3.04 0.00 0.00 32.46 28.79 3ffs n ARG 64 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 3ffs n LEU 65 N -1.84 1.52 0.00 2.89 4.77 -1.17 -2.44 117.00 120.74 3ffs n LEU 65 Ca 0.06 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 3ffs n LEU 65 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3ffs n LEU 65 CO 0.26 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3ffs n GLY 66 N 1.25 1.21 0.00 -0.72 0.00 -1.17 -4.76 105.19 101.00 3ffs n GLY 66 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3ffs n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ffs n GLY 67 N 0.00 5.02 3.90 -0.02 0.00 0.04 0.29 105.19 114.42 3ffs n GLY 67 Ca 0.00 -2.08 -0.22 0.00 0.00 0.00 0.00 46.02 43.72 3ffs n GLY 67 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ffs s ILE 68 N 0.90 2.26 -0.03 -0.61 2.07 -1.25 -2.62 121.20 121.91 3ffs s ILE 68 Ca 0.00 -1.36 0.01 0.00 -1.41 0.00 0.00 60.65 57.89 3ffs s ILE 68 Cb 0.00 -2.62 0.02 0.00 0.13 0.00 0.00 42.46 40.00 3ffs s ILE 68 CO 0.00 0.00 -0.02 -0.83 -1.91 0.00 0.00 174.94 172.18 3ffs s GLY 69 N -4.24 0.31 -0.18 1.50 0.00 -1.26 -3.18 107.32 100.26 3ffs s GLY 69 Ca 0.45 0.09 -0.09 0.00 0.00 0.00 0.00 44.72 45.17 3ffs s GLY 69 CO 0.27 0.52 0.13 -0.42 0.00 0.00 0.00 173.10 173.60 3ffs s ILE 70 N 0.95 5.41 0.14 0.90 -1.09 -1.14 -1.90 121.20 124.47 3ffs s ILE 70 Ca -0.11 0.19 -0.01 0.00 -2.23 0.00 0.00 60.65 58.49 3ffs s ILE 70 Cb -0.14 -3.45 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 3ffs s ILE 70 CO -0.01 0.47 0.32 -0.63 -1.23 0.00 0.00 174.94 173.86 3ffs s ILE 71 N 0.10 5.27 0.67 2.92 1.01 -0.93 -3.97 121.20 126.27 3ffs s ILE 71 Ca 0.09 -0.34 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 3ffs s ILE 71 Cb -0.11 -3.68 0.05 0.00 0.01 0.00 0.00 42.46 38.73 3ffs s ILE 71 CO -0.01 -0.02 0.96 -1.38 0.00 0.00 0.00 174.94 174.49 3ffs s HIS 72 N -1.70 2.91 -1.22 3.97 -3.43 -1.26 0.24 115.29 114.81 3ffs s HIS 72 Ca 0.37 0.34 0.16 0.00 -0.80 0.00 0.00 55.06 55.14 3ffs s HIS 72 Cb -0.12 -3.08 0.63 0.00 -1.43 0.00 0.00 32.58 28.58 3ffs s HIS 72 CO 0.28 -1.27 1.51 0.36 -2.00 0.00 0.00 174.74 173.62 3ffs n LYS 73 N -2.78 3.35 -2.15 -0.38 2.85 -1.26 -4.52 118.16 113.28 3ffs n LYS 73 Ca 0.08 -2.47 -0.38 0.00 -1.05 0.00 0.00 58.31 54.49 3ffs n LYS 73 Cb 0.60 -1.81 0.03 0.00 -0.65 0.00 0.00 35.03 33.20 3ffs n LYS 73 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3ffs n ASN 74 N 0.96 7.04 -3.59 -5.58 4.13 -1.26 -4.94 115.26 112.01 3ffs n ASN 74 Ca 0.22 -3.79 -0.13 0.00 1.68 0.00 0.00 54.58 52.55 3ffs n ASN 74 Cb 0.78 -0.99 -0.05 0.00 -1.54 0.00 0.00 39.78 37.98 3ffs n ASN 74 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ffs s MET 75 N -4.03 1.02 0.07 3.52 0.23 -1.26 -5.12 119.30 113.73 3ffs s MET 75 Ca 0.49 -0.28 -0.31 0.00 -1.03 0.00 0.00 55.69 54.56 3ffs s MET 75 Cb 0.39 0.46 -0.08 0.00 -1.53 0.00 0.00 34.83 34.07 3ffs s MET 75 CO -0.33 -0.37 1.64 0.16 -2.03 0.00 0.00 175.02 174.09 3ffs s ASP 76 N -2.03 6.62 0.00 -1.18 1.47 -1.26 -4.81 116.67 115.48 3ffs s ASP 76 Ca -0.05 2.47 0.00 0.00 1.18 0.00 0.00 52.55 56.15 3ffs s ASP 76 Cb -0.01 -2.56 0.00 0.00 -0.34 0.00 0.00 42.92 40.01 3ffs s ASP 76 CO -0.02 -0.88 0.00 0.23 0.68 0.00 0.00 175.17 175.18 3ffs n MET 77 N 5.55 0.00 0.02 2.11 2.00 -1.26 0.31 117.12 125.85 3ffs n MET 77 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.90 3ffs n MET 77 Cb 0.41 0.00 0.18 0.00 0.00 0.00 0.00 33.22 33.81 3ffs n MET 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 3ffs n GLU 78 N -3.15 0.02 0.01 0.03 4.71 -1.26 -0.59 120.64 120.40 3ffs n GLU 78 Ca 0.00 0.41 -0.18 0.00 -0.01 0.00 0.00 57.16 57.38 3ffs n GLU 78 Cb 0.00 -1.55 -0.14 0.00 -1.01 0.00 0.00 31.44 28.74 3ffs n GLU 78 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 3ffs h SER 79 N 0.00 0.33 1.00 1.62 0.02 -0.50 0.10 113.55 116.13 3ffs h SER 79 Ca 0.00 -0.70 -0.10 0.00 -0.84 0.00 0.00 61.79 60.15 3ffs h SER 79 Cb 0.12 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3ffs h SER 79 CO 0.00 1.62 -0.50 1.56 -1.14 0.00 0.00 176.83 178.37 3ffs h GLN 80 N 0.06 0.00 0.09 3.45 7.50 -1.44 -1.13 115.11 123.63 3ffs h GLN 80 Ca -0.37 0.00 -0.17 0.00 0.50 0.00 0.00 58.65 58.61 3ffs h GLN 80 Cb 2.03 0.00 0.02 0.00 0.05 0.00 0.00 27.48 29.58 3ffs h GLN 80 CO 0.10 0.50 -0.71 -0.24 -1.50 0.00 0.00 178.83 176.98 3ffs h VAL 81 N 0.00 1.50 0.00 -0.54 3.04 -0.97 -2.91 116.25 116.37 3ffs h VAL 81 Ca -0.00 -2.37 0.00 0.00 -1.01 0.00 0.00 66.70 63.31 3ffs h VAL 81 Cb 1.13 3.01 0.00 0.00 -2.01 0.00 0.00 31.29 33.43 3ffs h VAL 81 CO 0.06 0.67 0.00 -0.46 -1.01 0.00 0.00 177.57 176.84 3ffs n ASN 82 N -4.18 0.00 -0.11 3.17 6.94 0.36 -2.40 115.26 119.04 3ffs n ASN 82 Ca -0.13 -0.79 -0.21 0.00 -0.02 0.00 0.00 54.58 53.44 3ffs n ASN 82 Cb 0.76 -0.04 -0.09 0.00 -2.36 0.00 0.00 39.78 38.05 3ffs n ASN 82 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3ffs n GLU 83 N -1.04 0.55 -0.31 -3.83 4.71 -0.43 -3.60 120.64 116.70 3ffs n GLU 83 Ca 0.20 0.44 0.01 0.00 -0.01 0.00 0.00 57.16 57.80 3ffs n GLU 83 Cb 0.11 -1.63 0.14 0.00 -1.01 0.00 0.00 31.44 29.06 3ffs n GLU 83 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3ffs h VAL 84 N -1.00 1.03 0.00 2.62 2.07 -1.56 -1.99 116.25 117.42 3ffs h VAL 84 Ca -0.39 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 3ffs h VAL 84 Cb 1.27 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3ffs h VAL 84 CO -0.24 0.17 -0.15 -0.07 0.02 0.00 0.00 177.57 177.31 3ffs h LEU 85 N 0.96 0.00 -0.55 2.57 3.38 -1.70 -2.72 115.31 117.25 3ffs h LEU 85 Ca 0.38 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.22 3ffs h LEU 85 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3ffs h LEU 85 CO -0.18 0.15 -0.62 0.07 0.09 0.00 0.00 178.44 177.95 3ffs h LYS 86 N 0.00 0.00 0.15 1.13 -0.00 -1.43 -3.01 116.57 113.41 3ffs h LYS 86 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.64 3ffs h LYS 86 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.04 3ffs h LYS 86 CO 0.02 0.62 -0.07 0.28 -0.00 0.00 0.00 179.45 180.30 3ffs h VAL 87 N 0.00 0.23 -0.72 0.07 2.07 -1.25 -3.35 116.25 113.30 3ffs h VAL 87 Ca -0.01 -0.98 0.16 0.00 0.82 0.00 0.00 66.70 66.70 3ffs h VAL 87 Cb 1.22 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 3ffs h VAL 87 CO 0.08 0.07 0.49 0.11 0.02 0.00 0.00 177.57 178.34 3ffs h LYS 88 N -1.03 0.27 -6.44 1.57 1.57 -1.63 -3.40 116.57 107.48 3ffs h LYS 88 Ca -0.02 -0.02 -0.54 0.00 -1.87 0.00 0.00 60.65 58.21 3ffs h LYS 88 Cb 0.27 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3ffs h LYS 88 CO 0.03 0.18 0.38 -0.80 -0.57 0.00 0.00 179.45 178.67 3ffs s ASN 89 N -5.96 7.38 0.09 0.86 0.02 -1.14 -4.19 114.94 111.99 3ffs s ASN 89 Ca -0.07 1.70 -0.12 0.00 -1.02 0.00 0.00 52.86 53.35 3ffs s ASN 89 Cb 0.21 -2.57 0.02 0.00 0.02 0.00 0.00 41.25 38.92 3ffs s ASN 89 CO 0.76 -0.24 0.28 0.26 0.02 0.00 0.00 177.10 178.19 3ffs s TRP 90 N 0.84 -0.03 -0.21 2.20 0.52 -1.26 -4.88 118.94 116.12 3ffs s TRP 90 Ca 0.51 -0.29 0.03 0.00 0.02 0.00 0.00 56.10 56.38 3ffs s TRP 90 Cb -0.22 0.08 -0.15 0.00 -1.15 0.00 0.00 33.47 32.03 3ffs s TRP 90 CO 0.28 -0.58 -0.16 0.44 0.02 0.00 0.00 176.95 176.95 3ffs n ILE 91 N 0.06 1.22 0.61 2.03 -0.00 -1.26 -5.18 119.36 116.85 3ffs n ILE 91 Ca -0.16 -0.50 0.00 0.00 -0.00 0.00 0.00 62.75 62.09 3ffs n ILE 91 Cb 0.62 -1.18 0.00 0.00 -0.00 0.00 0.00 39.64 39.08 3ffs n ILE 91 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3ffs n ALA 123 N -3.07 2.71 -1.52 -1.28 0.00 -1.26 -5.33 120.51 110.76 3ffs n ALA 123 Ca -0.37 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 52.80 3ffs n ALA 123 Cb 0.92 -1.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.26 3ffs n ALA 123 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3ffs n TYR 124 N 0.76 1.49 0.00 0.00 -0.00 -1.26 -4.90 117.16 113.26 3ffs n TYR 124 Ca 0.00 -0.85 0.00 0.00 -0.00 0.00 0.00 57.90 57.05 3ffs n TYR 124 Cb 0.46 -2.22 0.00 0.00 -0.00 0.00 0.00 39.34 37.57 3ffs n TYR 124 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 3ffs n SER 125 N 14.98 0.00 0.00 9.48 2.88 -1.26 -4.57 113.62 135.13 3ffs n SER 125 Ca 0.44 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 3ffs n SER 125 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 3ffs n SER 125 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3ffs n ASN 126 N 0.00 0.00 -1.86 -3.46 3.02 -1.26 -4.92 115.26 106.78 3ffs n ASN 126 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.53 3ffs n ASN 126 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 3ffs n ASN 126 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 3ffs n GLU 127 N 0.00 -1.75 -2.74 3.52 -0.00 -1.02 -4.97 120.64 113.67 3ffs n GLU 127 Ca 0.00 1.62 -0.42 0.00 -0.00 0.00 0.00 57.16 58.36 3ffs n GLU 127 Cb 0.00 -2.47 -0.03 0.00 -0.00 0.00 0.00 31.44 28.94 3ffs n GLU 127 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3ffs s ASN 128 N -0.24 7.06 0.48 -1.84 3.84 0.59 -4.93 114.94 119.90 3ffs s ASN 128 Ca -0.10 1.32 0.04 0.00 0.21 0.00 0.00 52.86 54.33 3ffs s ASN 128 Cb 0.01 -2.51 -0.03 0.00 -0.55 0.00 0.00 41.25 38.17 3ffs s ASN 128 CO 0.26 -0.56 0.05 -0.76 -2.79 0.00 0.00 177.10 173.31 3ffs s LEU 129 N 2.74 2.55 0.00 3.21 2.01 -1.26 -3.74 118.68 124.19 3ffs s LEU 129 Ca 0.42 -1.50 0.00 0.00 0.01 0.00 0.00 54.13 53.07 3ffs s LEU 129 Cb -0.16 -0.87 0.00 0.00 0.01 0.00 0.00 46.19 45.17 3ffs s LEU 129 CO 0.10 -0.75 0.00 -0.90 1.01 0.00 0.00 176.35 175.81 3ffs n ASP 130 N -1.23 -0.00 -0.02 2.29 5.68 -1.25 -4.81 116.55 117.21 3ffs n ASP 130 Ca -0.13 -0.04 -0.17 0.00 -0.50 0.00 0.00 54.79 53.96 3ffs n ASP 130 Cb 0.67 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.51 3ffs n ASP 130 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3ffs n ASN 131 N -0.12 1.63 -0.99 -1.12 2.85 -1.26 -3.92 115.26 112.32 3ffs n ASN 131 Ca 0.00 0.23 0.00 0.00 -0.11 0.00 0.00 54.58 54.70 3ffs n ASN 131 Cb 0.00 -0.48 0.00 0.00 1.24 0.00 0.00 39.78 40.54 3ffs n ASN 131 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3ffs n LYS 132 N -3.29 0.99 -3.30 1.20 4.76 -1.26 -4.93 118.16 112.33 3ffs n LYS 132 Ca -0.29 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 54.81 3ffs n LYS 132 Cb 1.05 -1.01 0.03 0.00 -1.84 0.00 0.00 35.03 33.26 3ffs n LYS 132 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ffs n GLY 133 N 0.50 0.17 0.00 0.72 0.00 -1.25 -5.00 105.19 100.33 3ffs n GLY 133 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 46.02 47.01 3ffs n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ffs n ARG 134 N -0.05 0.00 -3.72 1.61 1.74 -1.26 -4.83 116.66 110.14 3ffs n ARG 134 Ca -0.08 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.82 3ffs n ARG 134 Cb 0.62 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 32.01 3ffs n ARG 134 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3ffs n LEU 135 N 0.00 0.00 -4.19 0.55 4.77 -1.26 -4.47 117.00 112.40 3ffs n LEU 135 Ca 0.00 -2.19 -0.26 0.00 -0.03 0.00 0.00 56.01 53.53 3ffs n LEU 135 Cb 0.00 0.61 -0.16 0.00 -2.33 0.00 0.00 43.42 41.54 3ffs n LEU 135 CO 0.00 -0.33 -0.52 -0.13 -1.33 0.00 0.00 177.39 175.08 3ffs s ARG 136 N -3.13 1.65 0.32 3.23 1.81 -1.25 -3.75 118.95 117.84 3ffs s ARG 136 Ca 0.11 -0.69 -0.05 0.00 -1.72 0.00 0.00 55.73 53.38 3ffs s ARG 136 Cb 0.01 -1.56 0.00 0.00 -0.45 0.00 0.00 34.95 32.95 3ffs s ARG 136 CO 0.08 0.39 0.48 0.14 -0.68 0.00 0.00 175.30 175.70 3ffs s VAL 137 N -0.36 0.00 0.35 3.52 -7.23 -1.26 -4.43 120.40 110.98 3ffs s VAL 137 Ca 0.05 -1.55 -0.10 0.00 -1.81 0.00 0.00 61.98 58.58 3ffs s VAL 137 Cb -0.08 -2.56 0.02 0.00 0.56 0.00 0.00 36.38 34.32 3ffs s VAL 137 CO -0.00 0.00 0.61 -0.83 -0.31 0.00 0.00 175.10 174.57 3ffs s GLY 138 N -3.18 0.87 0.02 2.32 0.00 -0.80 -3.32 107.32 103.22 3ffs s GLY 138 Ca 0.28 -1.09 -0.19 0.00 0.00 0.00 0.00 44.72 43.73 3ffs s GLY 138 CO 0.17 -0.65 0.42 0.00 0.00 0.00 0.00 173.10 173.04 3ffs s ALA 139 N -2.92 -1.05 -0.11 3.20 0.00 -1.10 -2.18 121.76 117.59 3ffs s ALA 139 Ca 0.23 0.45 -0.09 0.00 0.00 0.00 0.00 51.96 52.55 3ffs s ALA 139 Cb -0.03 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 3ffs s ALA 139 CO 0.15 -0.39 0.19 0.00 0.00 0.00 0.00 175.76 175.70 3ffs s ALA 140 N -1.99 3.82 -0.16 0.00 0.00 0.14 0.03 121.76 123.60 3ffs s ALA 140 Ca -0.08 -0.57 -0.00 0.00 0.00 0.00 0.00 51.96 51.30 3ffs s ALA 140 Cb -0.02 -2.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 3ffs s ALA 140 CO 0.01 0.52 -0.14 0.42 0.00 0.00 0.00 175.76 176.57 3ffs s ILE 141 N -0.79 2.83 -0.21 0.00 1.01 0.04 -4.33 121.20 119.75 3ffs s ILE 141 Ca 0.16 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 59.99 3ffs s ILE 141 Cb -0.13 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 3ffs s ILE 141 CO 0.05 0.51 0.13 -0.83 0.00 0.00 0.00 174.94 174.79 3ffs s GLY 142 N 0.76 1.99 -0.54 6.18 0.00 -1.26 -3.63 107.32 110.81 3ffs s GLY 142 Ca -0.06 -0.78 -0.27 0.00 0.00 0.00 0.00 44.72 43.61 3ffs s GLY 142 CO 0.01 0.22 1.96 0.14 0.00 0.00 0.00 173.10 175.43 3ffs s VAL 143 N 0.64 3.31 0.00 1.40 1.01 -1.26 -4.79 120.40 120.71 3ffs s VAL 143 Ca 0.07 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.26 3ffs s VAL 143 Cb -0.12 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3ffs s VAL 143 CO 0.01 -0.66 0.00 -1.84 0.00 0.00 0.00 175.10 172.61 3ffs n GLU 145 N 9.03 0.00 0.00 2.72 -0.00 -1.26 -5.19 120.64 125.94 3ffs n GLU 145 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.40 3ffs n GLU 145 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 3ffs n GLU 145 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 3ffs n ILE 146 N -1.25 0.00 0.06 3.84 5.41 -1.26 -4.88 119.36 121.29 3ffs n ILE 146 Ca 0.00 -0.02 -0.08 0.00 1.00 0.00 0.00 62.75 63.65 3ffs n ILE 146 Cb 0.00 0.39 0.05 0.00 -0.71 0.00 0.00 39.64 39.37 3ffs n ILE 146 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3ffs h GLU 147 N 0.00 0.35 -0.01 0.38 5.08 -1.99 -2.54 114.58 115.86 3ffs h GLU 147 Ca 0.00 -0.27 -0.11 0.00 -1.00 0.00 0.00 59.36 57.98 3ffs h GLU 147 Cb 0.00 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3ffs h GLU 147 CO 0.00 0.91 -0.51 0.07 -1.00 0.00 0.00 179.01 178.48 3ffs h ARG 148 N 0.25 0.01 0.00 2.33 -0.00 -1.98 -2.19 114.38 112.79 3ffs h ARG 148 Ca -0.02 -0.01 -0.09 0.00 -0.00 0.00 0.00 59.98 59.86 3ffs h ARG 148 Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.20 3ffs h ARG 148 CO 0.11 0.52 -0.44 0.00 -0.00 0.00 0.00 179.97 180.16 3ffs h ALA 149 N 1.48 1.07 0.25 0.08 0.00 -1.86 -3.10 119.26 117.17 3ffs h ALA 149 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 3ffs h ALA 149 Cb 0.90 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3ffs h ALA 149 CO 0.07 0.55 -0.12 0.87 0.00 0.00 0.00 179.25 180.62 3ffs h LYS 150 N 0.00 -0.32 0.00 0.00 1.57 -0.97 -2.72 116.57 114.13 3ffs h LYS 150 Ca -0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3ffs h LYS 150 Cb 0.89 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.27 3ffs h LYS 150 CO 0.06 -0.21 0.00 1.47 -0.57 0.00 0.00 179.45 180.20 3ffs n LEU 151 N -3.66 0.00 -0.06 2.94 -0.00 -1.00 -1.86 117.00 113.36 3ffs n LEU 151 Ca -0.04 0.36 -0.04 0.00 -0.00 0.00 0.00 56.01 56.29 3ffs n LEU 151 Cb 0.13 -0.36 -0.03 0.00 -0.00 0.00 0.00 43.42 43.16 3ffs n LEU 151 CO 0.10 -0.22 -0.02 0.17 -0.00 0.00 0.00 177.39 177.42 3ffs h LEU 152 N 0.00 0.00 -0.71 1.47 8.10 -1.61 -3.17 115.31 119.39 3ffs h LEU 152 Ca 0.00 -0.20 0.09 0.00 0.11 0.00 0.00 57.88 57.88 3ffs h LEU 152 Cb 0.15 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.30 3ffs h LEU 152 CO 0.00 0.68 0.36 0.58 -4.11 0.00 0.00 178.44 175.95 3ffs h VAL 153 N -1.00 0.86 -0.67 0.15 2.07 -1.12 -1.60 116.25 114.93 3ffs h VAL 153 Ca -0.02 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 3ffs h VAL 153 Cb 0.33 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 3ffs h VAL 153 CO -0.01 0.11 0.27 -0.33 0.02 0.00 0.00 177.57 177.63 3ffs h GLU 154 N 0.61 0.98 0.00 1.57 5.08 -1.56 -1.90 114.58 119.36 3ffs h GLU 154 Ca 0.35 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3ffs h GLU 154 Cb 0.35 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3ffs h GLU 154 CO -0.26 0.80 0.00 0.00 -1.00 0.00 0.00 179.01 178.54 3ffs n ALA 155 N -2.44 2.28 -1.34 3.43 0.00 -0.62 -4.87 120.51 116.95 3ffs n ALA 155 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3ffs n ALA 155 Cb 0.17 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.29 3ffs n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ffs n GLY 156 N 0.31 0.00 3.67 0.00 0.00 -0.72 -4.74 105.19 103.71 3ffs n GLY 156 Ca 0.15 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 3ffs n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ffs s VAL 157 N -2.89 4.77 0.06 1.61 0.11 -1.17 -4.95 120.40 117.94 3ffs s VAL 157 Ca 0.00 -0.05 -0.16 0.00 -2.93 0.00 0.00 61.98 58.84 3ffs s VAL 157 Cb 0.00 -3.12 -0.21 0.00 -1.53 0.00 0.00 36.38 31.52 3ffs s VAL 157 CO 0.00 0.51 1.19 0.44 -3.33 0.00 0.00 175.10 173.91 3ffs h ASP 158 N 6.22 0.77 -5.03 3.54 5.19 -1.93 -3.46 116.42 121.73 3ffs h ASP 158 Ca -0.41 -0.71 -0.15 0.00 -0.62 0.00 0.00 57.03 55.14 3ffs h ASP 158 Cb 1.18 -0.23 -0.20 0.00 0.18 0.00 0.00 39.33 40.26 3ffs h ASP 158 CO 0.66 1.38 -0.58 0.68 -3.12 0.00 0.00 179.24 178.26 3ffs s VAL 159 N -3.42 0.11 -0.04 -1.35 -7.23 -1.21 -4.75 120.40 102.51 3ffs s VAL 159 Ca -0.11 -0.95 0.03 0.00 -1.81 0.00 0.00 61.98 59.14 3ffs s VAL 159 Cb 0.06 -0.57 0.01 0.00 0.56 0.00 0.00 36.38 36.44 3ffs s VAL 159 CO 0.88 -0.52 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.41 3ffs s ILE 160 N -1.91 0.99 -0.18 -0.62 -1.09 -1.25 -2.72 121.20 114.42 3ffs s ILE 160 Ca -0.11 -0.44 -0.07 0.00 -2.23 0.00 0.00 60.65 57.81 3ffs s ILE 160 Cb -0.06 -0.89 -0.04 0.00 -1.58 0.00 0.00 42.46 39.89 3ffs s ILE 160 CO -0.02 0.31 0.04 -0.69 -1.23 0.00 0.00 174.94 173.35 3ffs s VAL 161 N 0.41 4.58 -1.45 2.92 1.01 0.10 -3.15 120.40 124.83 3ffs s VAL 161 Ca -0.08 -0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.69 3ffs s VAL 161 Cb -0.12 -3.05 0.04 0.00 0.00 0.00 0.00 36.38 33.25 3ffs s VAL 161 CO 0.02 0.47 2.47 0.18 0.00 0.00 0.00 175.10 178.23 3ffs n LEU 162 N 3.55 7.85 -4.70 3.92 4.77 0.22 -0.78 117.00 131.83 3ffs n LEU 162 Ca -0.17 -4.53 -0.42 0.00 -0.03 0.00 0.00 56.01 50.86 3ffs n LEU 162 Cb 0.52 -1.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.08 3ffs n LEU 162 CO 0.35 1.78 1.16 1.51 -1.33 0.00 0.00 177.39 180.85 3ffs s ASP 163 N 1.58 6.76 -0.25 -1.43 1.47 -1.24 0.85 116.67 124.41 3ffs s ASP 163 Ca 0.56 2.33 -0.20 0.00 1.18 0.00 0.00 52.55 56.41 3ffs s ASP 163 Cb 0.16 -2.57 0.07 0.00 -0.34 0.00 0.00 42.92 40.23 3ffs s ASP 163 CO -0.06 -0.75 0.65 -0.55 0.68 0.00 0.00 175.17 175.14 3ffs s SER 164 N 1.64 -0.73 0.00 2.11 0.15 -1.26 -4.72 113.70 110.88 3ffs s SER 164 Ca 0.67 1.34 0.00 0.00 0.70 0.00 0.00 55.95 58.66 3ffs s SER 164 Cb -0.37 1.32 0.00 0.00 -1.71 0.00 0.00 66.02 65.26 3ffs s SER 164 CO 0.30 -0.23 0.75 0.00 1.20 0.00 0.00 173.24 175.25 3ffs n ALA 165 N 3.17 1.21 -3.15 5.45 0.00 -1.26 -2.98 120.51 122.94 3ffs n ALA 165 Ca -0.16 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.32 3ffs n ALA 165 Cb 0.56 -0.97 -0.00 0.00 0.00 0.00 0.00 19.45 19.04 3ffs n ALA 165 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3ffs s HIS 166 N -2.49 -1.76 0.15 0.00 5.65 -1.26 -4.93 115.29 110.64 3ffs s HIS 166 Ca 0.00 0.98 -0.11 0.00 0.25 0.00 0.00 55.06 56.18 3ffs s HIS 166 Cb 0.00 0.30 -0.02 0.00 -1.18 0.00 0.00 32.58 31.68 3ffs s HIS 166 CO 0.00 -1.04 1.51 0.78 -0.65 0.00 0.00 174.74 175.34 3ffs h GLY 167 N 7.88 1.06 -7.65 1.59 0.00 -0.41 -3.41 103.07 102.12 3ffs h GLY 167 Ca -0.01 -1.02 -0.53 0.00 0.00 0.00 0.00 47.33 45.77 3ffs h GLY 167 CO 0.13 0.92 1.70 -1.58 0.00 0.00 0.00 176.54 177.71 3ffs s HIS 168 N -4.52 2.43 0.00 5.60 5.65 -1.26 -4.36 115.29 118.83 3ffs s HIS 168 Ca -0.11 -0.74 0.00 0.00 0.25 0.00 0.00 55.06 54.46 3ffs s HIS 168 Cb 0.12 -4.45 0.00 0.00 -1.18 0.00 0.00 32.58 27.06 3ffs s HIS 168 CO 0.88 -1.59 0.00 -1.13 -0.65 0.00 0.00 174.74 172.25 3ffs n SER 169 N 10.82 0.00 -0.08 9.88 3.41 -1.26 -5.05 113.62 131.33 3ffs n SER 169 Ca 0.46 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.94 3ffs n SER 169 Cb 0.47 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.34 3ffs n SER 169 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ffs n LEU 170 N 0.00 2.72 0.27 1.04 4.77 -1.26 -3.78 117.00 120.76 3ffs n LEU 170 Ca 0.00 -0.04 0.18 0.00 -0.03 0.00 0.00 56.01 56.12 3ffs n LEU 170 Cb 0.00 -0.58 0.82 0.00 -2.33 0.00 0.00 43.42 41.33 3ffs n LEU 170 CO 0.00 0.72 1.02 0.78 -1.33 0.00 0.00 177.39 178.58 3ffs h ASN 171 N -0.10 0.00 0.00 -1.43 2.35 -1.98 -2.80 115.58 111.62 3ffs h ASN 171 Ca -0.39 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.13 3ffs h ASN 171 Cb 1.55 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.88 3ffs h ASN 171 CO -0.09 0.00 -1.85 -0.38 -1.65 0.00 0.00 177.43 173.46 3ffs n ILE 172 N -2.91 0.85 0.15 2.81 -0.00 -1.26 -3.56 119.36 115.43 3ffs n ILE 172 Ca -0.00 -0.29 0.17 0.00 -0.00 0.00 0.00 62.75 62.63 3ffs n ILE 172 Cb 0.20 -1.23 0.60 0.00 -0.00 0.00 0.00 39.64 39.22 3ffs n ILE 172 CO 0.00 0.00 0.00 -0.29 -0.00 0.00 0.00 176.55 176.26 3ffs h ILE 173 N -0.17 0.13 0.00 1.39 2.10 -1.65 -2.73 117.51 116.58 3ffs h ILE 173 Ca -0.35 0.00 -0.42 0.00 1.08 0.00 0.00 64.86 65.17 3ffs h ILE 173 Cb 1.46 0.44 -0.07 0.00 -1.09 0.00 0.00 36.82 37.56 3ffs h ILE 173 CO -0.11 0.00 -2.49 0.54 -1.08 0.00 0.00 178.15 175.01 3ffs n ARG 174 N -3.19 0.62 0.14 2.19 1.74 -1.06 -3.96 116.66 113.14 3ffs n ARG 174 Ca 0.06 0.21 0.07 0.00 -0.77 0.00 0.00 57.85 57.42 3ffs n ARG 174 Cb 0.77 -1.51 0.39 0.00 -1.02 0.00 0.00 32.46 31.08 3ffs n ARG 174 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3ffs n THR 175 N -3.75 0.87 0.09 0.55 -1.04 -1.05 -1.63 114.28 108.33 3ffs n THR 175 Ca -0.50 0.71 -0.04 0.00 -2.04 0.00 0.00 64.05 62.19 3ffs n THR 175 Cb 0.94 -1.71 -0.02 0.00 -1.82 0.00 0.00 70.33 67.72 3ffs n THR 175 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3ffs h LEU 176 N 0.00 -0.19 -1.44 -4.42 3.38 -1.64 -3.22 115.31 107.77 3ffs h LEU 176 Ca 0.00 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3ffs h LEU 176 Cb 0.36 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3ffs h LEU 176 CO 0.00 -0.12 0.39 0.11 0.09 0.00 0.00 178.44 178.92 3ffs h LYS 177 N -0.28 0.72 0.00 1.13 1.57 -1.52 0.70 116.57 118.89 3ffs h LYS 177 Ca -0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3ffs h LYS 177 Cb 0.18 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3ffs h LYS 177 CO 0.04 0.48 0.00 0.39 -0.57 0.00 0.00 179.45 179.79 3ffs n GLU 178 N -4.46 0.34 0.00 3.15 1.02 -0.64 -2.40 120.64 117.65 3ffs n GLU 178 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3ffs n GLU 178 Cb 0.09 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 3ffs n GLU 178 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3ffs n ILE 179 N -0.82 0.00 -0.16 -3.67 5.41 -0.01 -4.74 119.36 115.37 3ffs n ILE 179 Ca 0.05 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.78 3ffs n ILE 179 Cb 0.02 -0.59 0.07 0.00 -0.71 0.00 0.00 39.64 38.43 3ffs n ILE 179 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 3ffs h LYS 180 N 0.00 0.22 -1.54 0.38 1.63 -0.93 -1.99 116.57 114.34 3ffs h LYS 180 Ca 0.00 -0.01 -0.47 0.00 -0.85 0.00 0.00 60.65 59.32 3ffs h LYS 180 Cb 0.69 -0.05 -0.19 0.00 -0.60 0.00 0.00 32.23 32.08 3ffs h LYS 180 CO 0.00 0.14 0.56 -1.13 -3.45 0.00 0.00 179.45 175.57 3ffs n SER 181 N -5.13 6.82 0.02 4.20 3.41 -1.01 -4.51 113.62 117.42 3ffs n SER 181 Ca 0.06 -3.31 0.00 0.00 -0.26 0.00 0.00 58.87 55.36 3ffs n SER 181 Cb 0.25 -1.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 3ffs n SER 181 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3ffs n LYS 182 N 0.13 0.00 0.00 4.33 4.81 -0.86 -5.00 118.16 121.57 3ffs n LYS 182 Ca 0.43 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 3ffs n LYS 182 Cb 0.57 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.62 3ffs n LYS 182 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 3ffs n MET 183 N -2.57 0.00 0.00 1.64 2.00 -0.80 -5.11 117.12 112.27 3ffs n MET 183 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3ffs n MET 183 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 3ffs n MET 183 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 175.97 177.48 3ffs n ILE 185 N 0.00 0.00 -1.65 2.02 0.13 -1.26 -5.05 119.36 113.55 3ffs n ILE 185 Ca 0.00 0.00 -0.45 0.00 -1.10 0.00 0.00 62.75 61.20 3ffs n ILE 185 Cb 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 39.64 38.76 3ffs n ILE 185 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 3ffs n ASP 186 N 0.00 3.64 -4.40 9.51 8.00 -1.26 -4.91 116.55 127.12 3ffs n ASP 186 Ca 0.00 0.81 -0.33 0.00 0.71 0.00 0.00 54.79 55.98 3ffs n ASP 186 Cb 0.00 -1.45 -0.14 0.00 -0.02 0.00 0.00 41.12 39.51 3ffs n ASP 186 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ffs s VAL 187 N 4.99 3.35 -0.31 2.53 1.01 -1.26 -3.83 120.40 126.88 3ffs s VAL 187 Ca 0.93 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 62.22 3ffs s VAL 187 Cb -0.55 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 3ffs s VAL 187 CO 0.46 0.50 0.35 -0.63 0.00 0.00 0.00 175.10 175.78 3ffs s ILE 188 N 0.48 5.18 0.47 2.22 1.01 -1.19 -0.43 121.20 128.94 3ffs s ILE 188 Ca -0.07 0.26 -0.17 0.00 0.00 0.00 0.00 60.65 60.67 3ffs s ILE 188 Cb -0.15 -3.75 -0.09 0.00 0.01 0.00 0.00 42.46 38.48 3ffs s ILE 188 CO 0.04 0.03 0.95 -0.69 0.00 0.00 0.00 174.94 175.27 3ffs s VAL 189 N 2.02 4.51 0.00 2.92 1.01 -1.17 0.70 120.40 130.39 3ffs s VAL 189 Ca 0.13 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.35 3ffs s VAL 189 Cb -0.16 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3ffs s VAL 189 CO 0.11 -0.53 0.00 0.61 0.00 0.00 0.00 175.10 175.29 3ffs n GLY 190 N -1.20 -3.09 3.75 4.51 0.00 0.25 -3.19 105.19 106.22 3ffs n GLY 190 Ca 0.06 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 3ffs n GLY 190 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ffs s ASN 191 N -1.79 7.15 0.29 1.61 -0.87 -1.16 -4.22 114.94 115.95 3ffs s ASN 191 Ca 0.00 2.27 0.03 0.00 -1.57 0.00 0.00 52.86 53.59 3ffs s ASN 191 Cb 0.00 -2.62 -0.03 0.00 -0.02 0.00 0.00 41.25 38.59 3ffs s ASN 191 CO 0.00 -0.28 0.28 0.68 -2.57 0.00 0.00 177.10 175.21 3ffs s VAL 192 N -0.60 0.00 0.00 1.60 -7.23 -0.84 0.17 120.40 113.51 3ffs s VAL 192 Ca 0.49 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 3ffs s VAL 192 Cb -0.33 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.10 3ffs s VAL 192 CO 0.39 0.00 0.12 1.33 -0.31 0.00 0.00 175.10 176.63 3ffs n VAL 193 N -0.51 0.00 -4.38 1.32 0.24 -1.26 -2.70 118.33 111.04 3ffs n VAL 193 Ca 0.05 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.08 3ffs n VAL 193 Cb 0.63 0.72 -0.11 0.00 -1.47 0.00 0.00 33.84 33.61 3ffs n VAL 193 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3ffs s THR 194 N 0.00 2.59 0.20 3.34 -4.23 -1.26 -4.78 115.64 111.50 3ffs s THR 194 Ca 0.00 -1.91 -0.08 0.00 -1.18 0.00 0.00 61.69 58.52 3ffs s THR 194 Cb 0.00 -2.25 0.11 0.00 1.34 0.00 0.00 72.50 71.70 3ffs s THR 194 CO 0.00 -0.10 1.71 1.05 -0.54 0.00 0.00 174.62 176.74 3ffs h GLU 195 N 3.16 1.10 -0.87 3.99 9.09 -1.95 -2.88 114.58 126.22 3ffs h GLU 195 Ca -0.47 -0.28 -0.01 0.00 0.05 0.00 0.00 59.36 58.65 3ffs h GLU 195 Cb 1.20 -0.13 -0.04 0.00 -1.65 0.00 0.00 28.75 28.13 3ffs h GLU 195 CO 0.49 0.99 0.51 0.93 0.05 0.00 0.00 179.01 181.99 3ffs h GLU 196 N 1.03 1.19 0.00 1.06 3.07 -1.96 -2.79 114.58 116.18 3ffs h GLU 196 Ca 0.21 -0.12 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 3ffs h GLU 196 Cb 0.42 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 3ffs h GLU 196 CO 0.01 0.84 0.00 0.00 -1.40 0.00 0.00 179.01 178.46 3ffs n ALA 197 N -2.41 2.35 0.00 3.43 0.00 -1.09 -2.14 120.51 120.66 3ffs n ALA 197 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ffs n ALA 197 Cb 0.07 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3ffs n ALA 197 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ffs n THR 198 N -0.83 0.00 0.38 0.00 -2.24 -1.11 -3.83 114.28 106.66 3ffs n THR 198 Ca 0.12 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.71 3ffs n THR 198 Cb 0.05 -0.52 -0.10 0.00 -2.10 0.00 0.00 70.33 67.67 3ffs n THR 198 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3ffs h LYS 199 N 0.00 -1.08 -1.28 -0.78 1.57 -1.58 -2.30 116.57 111.12 3ffs h LYS 199 Ca 0.00 0.07 0.37 0.00 -1.87 0.00 0.00 60.65 59.23 3ffs h LYS 199 Cb 0.87 0.25 -0.09 0.00 0.08 0.00 0.00 32.23 33.34 3ffs h LYS 199 CO 0.00 -0.72 0.87 1.49 -0.57 0.00 0.00 179.45 180.52 3ffs h GLU 200 N -1.12 0.13 0.14 3.15 4.57 -1.69 -1.30 114.58 118.46 3ffs h GLU 200 Ca -0.09 -0.01 -0.28 0.00 -1.18 0.00 0.00 59.36 57.80 3ffs h GLU 200 Cb 0.92 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 3ffs h GLU 200 CO 0.05 0.09 -1.40 -0.07 -1.18 0.00 0.00 179.01 176.49 3ffs h LEU 201 N 0.13 0.46 -0.68 1.64 3.38 -1.65 -3.37 115.31 115.22 3ffs h LEU 201 Ca 0.69 -0.89 -0.14 0.00 0.09 0.00 0.00 57.88 57.63 3ffs h LEU 201 Cb 2.32 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.91 3ffs h LEU 201 CO -0.19 1.63 -0.62 0.40 0.09 0.00 0.00 178.44 179.74 3ffs h ILE 202 N -0.21 1.41 -0.29 1.22 2.04 -0.65 -2.62 117.51 118.41 3ffs h ILE 202 Ca -0.29 -2.06 0.06 0.00 1.00 0.00 0.00 64.86 63.58 3ffs h ILE 202 Cb 1.83 2.07 -0.08 0.00 -0.74 0.00 0.00 36.82 39.90 3ffs h ILE 202 CO 0.10 0.60 -0.40 -0.33 0.00 0.00 0.00 178.15 178.12 3ffs h GLU 203 N 0.11 -0.36 -0.60 2.37 5.08 -1.65 0.16 114.58 119.69 3ffs h GLU 203 Ca -0.01 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3ffs h GLU 203 Cb 1.12 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3ffs h GLU 203 CO 0.09 -0.24 0.00 0.09 -1.00 0.00 0.00 179.01 177.95 3ffs n ASN 204 N -5.42 0.60 -0.95 1.42 5.03 -1.10 -4.74 115.26 110.11 3ffs n ASN 204 Ca -0.02 -1.25 0.00 0.00 0.87 0.00 0.00 54.58 54.19 3ffs n ASN 204 Cb 0.35 -0.30 0.00 0.00 -1.02 0.00 0.00 39.78 38.81 3ffs n ASN 204 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ffs n GLY 205 N 0.19 0.46 3.58 7.41 0.00 0.55 -4.58 105.19 112.79 3ffs n GLY 205 Ca 0.00 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 3ffs n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ffs s ALA 206 N -2.87 3.13 -0.83 4.61 0.00 -1.00 -4.78 121.76 120.02 3ffs s ALA 206 Ca 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 3ffs s ALA 206 Cb 0.00 -3.86 0.19 0.00 0.00 0.00 0.00 23.12 19.45 3ffs s ALA 206 CO 0.00 -2.33 2.35 -0.25 0.00 0.00 0.00 175.76 175.53 3ffs n ASP 207 N 7.82 7.23 0.00 0.00 10.43 0.42 -4.68 116.55 137.77 3ffs n ASP 207 Ca 0.09 -3.44 0.00 0.00 2.57 0.00 0.00 54.79 54.01 3ffs n ASP 207 Cb 0.49 -1.21 0.00 0.00 1.84 0.00 0.00 41.12 42.24 3ffs n ASP 207 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ffs n GLY 208 N 0.53 3.60 2.86 0.44 0.00 -1.25 -4.36 105.19 107.01 3ffs n GLY 208 Ca 0.53 -1.62 -0.19 0.00 0.00 0.00 0.00 46.02 44.73 3ffs n GLY 208 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ffs s ILE 209 N -1.73 0.40 -0.27 -0.61 1.01 -1.16 -3.06 121.20 115.78 3ffs s ILE 209 Ca 0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 60.65 60.45 3ffs s ILE 209 Cb 0.00 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.98 3ffs s ILE 209 CO 0.00 0.20 0.49 -0.54 0.00 0.00 0.00 174.94 175.09 3ffs s LYS 210 N 1.06 4.03 -0.03 2.79 1.02 -1.19 -0.10 119.74 127.32 3ffs s LYS 210 Ca -0.09 0.25 0.01 0.00 0.02 0.00 0.00 55.97 56.16 3ffs s LYS 210 Cb -0.14 -3.66 -0.03 0.00 -0.52 0.00 0.00 37.83 33.48 3ffs s LYS 210 CO -0.01 -0.36 -0.03 0.14 -0.92 0.00 0.00 175.35 174.17 3ffs s VAL 211 N 2.28 3.94 0.00 3.17 -7.23 -0.82 -1.98 120.40 119.76 3ffs s VAL 211 Ca 0.20 -0.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.82 3ffs s VAL 211 Cb -0.16 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.09 3ffs s VAL 211 CO 0.10 0.48 0.00 0.61 -0.31 0.00 0.00 175.10 175.97 3ffs n GLY 212 N 1.78 0.75 3.32 2.32 0.00 -1.10 -1.93 105.19 110.33 3ffs n GLY 212 Ca -0.16 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 3ffs n GLY 212 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3ffs n ILE 213 N 0.00 0.00 0.00 -0.61 5.41 -1.26 -4.79 119.36 118.11 3ffs n ILE 213 Ca 0.00 -1.86 0.00 0.00 1.00 0.00 0.00 62.75 61.89 3ffs n ILE 213 Cb 0.00 -0.17 0.00 0.00 -0.71 0.00 0.00 39.64 38.76 3ffs n ILE 213 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3ffs n ILE 223 N -1.69 0.00 -0.01 1.39 2.08 -1.26 -3.57 119.36 116.29 3ffs n ILE 223 Ca 0.01 0.00 -0.00 0.00 0.56 0.00 0.00 62.75 63.32 3ffs n ILE 223 Cb 0.54 0.00 -0.00 0.00 -0.75 0.00 0.00 39.64 39.43 3ffs n ILE 223 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3ffs h VAL 224 N 0.00 0.00 0.00 1.39 2.07 -2.10 -3.40 116.25 114.21 3ffs h VAL 224 Ca 0.00 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.24 3ffs h VAL 224 Cb 0.00 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 3ffs h VAL 224 CO 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 177.57 176.92 3ffs h ALA 225 N -1.84 0.63 0.00 1.67 0.00 -2.08 -3.48 119.26 114.17 3ffs h ALA 225 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3ffs h ALA 225 Cb 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3ffs h ALA 225 CO 0.00 0.73 0.00 0.41 0.00 0.00 0.00 179.25 180.39 3ffs n GLY 226 N 1.26 0.62 3.33 0.00 0.00 -1.26 -5.06 105.19 104.07 3ffs n GLY 226 Ca 0.00 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 3ffs n GLY 226 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ffs s VAL 227 N -2.00 2.09 0.00 1.61 1.01 -1.26 -4.89 120.40 116.96 3ffs s VAL 227 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 60.72 3ffs s VAL 227 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.61 3ffs s VAL 227 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3ffs n GLY 228 N 2.09 1.27 2.80 4.51 0.00 -1.26 -4.85 105.19 109.74 3ffs n GLY 228 Ca -0.16 -0.89 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 3ffs n GLY 228 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ffs s VAL 229 N -2.00 0.30 0.37 1.61 1.01 -1.23 -5.08 120.40 115.37 3ffs s VAL 229 Ca 0.00 0.10 -0.26 0.00 0.00 0.00 0.00 61.98 61.82 3ffs s VAL 229 Cb 0.00 -0.42 -0.12 0.00 0.00 0.00 0.00 36.38 35.84 3ffs s VAL 229 CO 0.00 0.21 1.10 -2.65 0.00 0.00 0.00 175.10 173.76 3ffs n PRO 230 N 4.68 1.59 -0.28 2.72 -0.02 -1.26 -4.70 135.00 137.72 3ffs n PRO 230 Ca -0.15 0.56 -0.02 0.00 -2.02 0.00 0.00 63.50 61.87 3ffs n PRO 230 Cb 0.50 -2.10 0.17 0.00 -0.02 0.00 0.00 33.50 32.05 3ffs n PRO 230 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3ffs h GLN 231 N 1.92 1.14 0.36 -0.52 5.75 -1.93 -2.71 115.11 119.11 3ffs h GLN 231 Ca -0.44 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 57.94 3ffs h GLN 231 Cb 1.32 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 29.63 3ffs h GLN 231 CO 0.59 0.79 -0.17 0.82 -2.65 0.00 0.00 178.83 178.21 3ffs h ILE 232 N 1.16 0.60 0.00 2.39 1.08 -1.55 -2.85 117.51 118.33 3ffs h ILE 232 Ca 0.30 -0.55 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 3ffs h ILE 232 Cb -0.06 0.86 0.00 0.00 -3.07 0.00 0.00 36.82 34.55 3ffs h ILE 232 CO -0.06 0.10 0.00 0.41 -0.69 0.00 0.00 178.15 177.91 3ffs n THR 233 N -5.17 1.21 0.00 -0.27 -1.04 -1.05 -1.22 114.28 106.75 3ffs n THR 233 Ca -0.10 0.51 0.00 0.00 -2.04 0.00 0.00 64.05 62.43 3ffs n THR 233 Cb 0.27 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.31 3ffs n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ffs n ALA 234 N -1.68 -0.14 -0.37 2.41 0.00 -1.03 -2.83 120.51 116.86 3ffs n ALA 234 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.73 3ffs n ALA 234 Cb 0.09 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.09 3ffs n ALA 234 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3ffs h ILE 235 N 0.00 0.27 0.00 0.00 2.04 -1.29 1.28 117.51 119.81 3ffs h ILE 235 Ca 0.00 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 3ffs h ILE 235 Cb 0.00 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.09 3ffs h ILE 235 CO 0.00 0.04 -0.05 -0.33 0.00 0.00 0.00 178.15 177.81 3ffs h GLU 236 N 0.24 0.00 0.02 2.37 5.08 -1.27 -1.92 114.58 119.09 3ffs h GLU 236 Ca 0.74 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.75 3ffs h GLU 236 Cb 2.01 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 31.20 3ffs h GLU 236 CO -0.47 0.05 -2.16 0.36 -1.00 0.00 0.00 179.01 175.79 3ffs n LYS 237 N -4.18 0.67 0.07 2.33 0.00 0.42 -3.54 118.16 113.93 3ffs n LYS 237 Ca -0.03 0.14 -0.15 0.00 -0.00 0.00 0.00 58.31 58.27 3ffs n LYS 237 Cb 0.14 -1.62 -0.14 0.00 -0.00 0.00 0.00 35.03 33.41 3ffs n LYS 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3ffs n SER 239 N -3.45 0.53 0.06 0.00 3.41 -0.73 -1.44 113.62 112.00 3ffs n SER 239 Ca -0.13 0.08 0.04 0.00 -0.26 0.00 0.00 58.87 58.61 3ffs n SER 239 Cb 1.03 0.01 0.21 0.00 -0.26 0.00 0.00 64.21 65.20 3ffs n SER 239 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ffs n SER 240 N -1.81 0.20 0.00 4.04 3.41 -1.23 -2.98 113.62 115.24 3ffs n SER 240 Ca 0.05 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 3ffs n SER 240 Cb 0.39 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 3ffs n SER 240 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3ffs n VAL 241 N -1.75 0.00 0.00 -3.33 0.31 -1.21 -4.70 118.33 107.65 3ffs n VAL 241 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3ffs n VAL 241 Cb 0.06 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 3ffs n VAL 241 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ffs n ALA 242 N -2.26 1.18 -3.10 3.52 0.00 -0.52 -4.49 120.51 114.84 3ffs n ALA 242 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3ffs n ALA 242 Cb 0.31 -0.90 0.04 0.00 0.00 0.00 0.00 19.45 18.89 3ffs n ALA 242 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ffs n SER 243 N -1.14 1.32 0.00 0.00 7.64 -1.16 -2.45 113.62 117.83 3ffs n SER 243 Ca 0.00 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 57.96 3ffs n SER 243 Cb 0.02 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 3ffs n SER 243 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 3ffs n LYS 244 N -1.69 0.00 -2.75 1.43 2.85 -1.26 -4.82 118.16 111.92 3ffs n LYS 244 Ca 0.09 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.98 3ffs n LYS 244 Cb 0.35 -0.02 -0.06 0.00 -0.65 0.00 0.00 35.03 34.66 3ffs n LYS 244 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 3ffs s PHE 245 N 0.00 3.59 -0.11 5.58 0.40 -1.26 -4.95 117.98 121.23 3ffs s PHE 245 Ca 0.00 1.74 0.00 0.00 -0.60 0.00 0.00 56.93 58.08 3ffs s PHE 245 Cb 0.00 -2.95 0.13 0.00 0.51 0.00 0.00 43.02 40.71 3ffs s PHE 245 CO 0.00 0.05 1.43 0.41 0.70 0.00 0.00 175.22 177.81 3ffs n GLY 246 N 0.39 2.74 3.49 4.36 0.00 -1.26 -4.87 105.19 110.03 3ffs n GLY 246 Ca 0.03 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 3ffs n GLY 246 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ffs s ILE 247 N -0.80 5.25 1.08 -0.61 -1.09 -1.03 -4.74 121.20 119.25 3ffs s ILE 247 Ca 0.13 -0.44 -0.13 0.00 -2.23 0.00 0.00 60.65 57.98 3ffs s ILE 247 Cb 0.10 -3.86 0.23 0.00 -1.58 0.00 0.00 42.46 37.36 3ffs s ILE 247 CO 0.02 -0.21 1.06 -2.16 -1.23 0.00 0.00 174.94 172.42 3ffs s PRO 248 N 1.76 -0.22 -0.04 2.79 0.04 -1.26 -4.50 135.00 133.57 3ffs s PRO 248 Ca 0.06 0.66 0.05 0.00 0.04 0.00 0.00 61.00 61.81 3ffs s PRO 248 Cb -0.18 -1.65 -0.01 0.00 0.04 0.00 0.00 34.50 32.70 3ffs s PRO 248 CO 0.11 -3.21 -0.18 0.42 0.04 0.00 0.00 177.00 174.18 3ffs s ILE 249 N -2.73 1.48 -0.26 0.56 1.01 -1.26 -2.97 121.20 117.03 3ffs s ILE 249 Ca 0.67 -0.75 -0.05 0.00 0.00 0.00 0.00 60.65 60.52 3ffs s ILE 249 Cb -0.22 -1.26 0.00 0.00 0.01 0.00 0.00 42.46 41.00 3ffs s ILE 249 CO 0.61 0.42 0.02 -0.63 0.00 0.00 0.00 174.94 175.36 3ffs s ILE 250 N -0.04 3.63 -0.58 2.92 1.01 0.86 -0.52 121.20 128.48 3ffs s ILE 250 Ca -0.02 -0.65 -0.27 0.00 0.00 0.00 0.00 60.65 59.71 3ffs s ILE 250 Cb -0.11 -2.79 0.03 0.00 0.01 0.00 0.00 42.46 39.60 3ffs s ILE 250 CO 0.02 0.22 1.13 0.00 0.00 0.00 0.00 174.94 176.31 3ffs s ALA 251 N 1.47 3.02 -0.21 9.38 0.00 -1.13 -1.94 121.76 132.35 3ffs s ALA 251 Ca 0.03 -0.98 -0.11 0.00 0.00 0.00 0.00 51.96 50.91 3ffs s ALA 251 Cb -0.16 -3.97 -0.05 0.00 0.00 0.00 0.00 23.12 18.94 3ffs s ALA 251 CO -0.00 -2.63 0.17 0.34 0.00 0.00 0.00 175.76 173.63 3ffs s ASP 252 N 2.99 6.22 0.00 0.00 2.15 -0.81 0.12 116.67 127.33 3ffs s ASP 252 Ca 0.39 0.24 0.00 0.00 0.43 0.00 0.00 52.55 53.61 3ffs s ASP 252 Cb -0.09 -2.11 0.00 0.00 -0.30 0.00 0.00 42.92 40.42 3ffs s ASP 252 CO 0.23 0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.97 3ffs n GLY 253 N 3.75 -2.94 0.00 2.66 0.00 -1.24 -4.41 105.19 103.01 3ffs n GLY 253 Ca -0.15 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3ffs n GLY 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ffs n GLY 254 N 0.01 1.29 3.53 -0.02 0.00 -1.26 -5.00 105.19 103.74 3ffs n GLY 254 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3ffs n GLY 254 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ffs s ILE 255 N -2.00 4.46 -0.21 -0.61 -1.09 -1.26 -4.87 121.20 115.62 3ffs s ILE 255 Ca 0.00 0.34 -0.15 0.00 -2.23 0.00 0.00 60.65 58.62 3ffs s ILE 255 Cb 0.00 -4.48 -0.08 0.00 -1.58 0.00 0.00 42.46 36.32 3ffs s ILE 255 CO 0.00 -1.00 -0.32 0.54 -1.23 0.00 0.00 174.94 172.93 3ffs n ARG 256 N 7.25 0.51 -4.54 2.79 1.74 -1.26 -4.52 116.66 118.63 3ffs n ARG 256 Ca 0.02 0.21 -0.26 0.00 -0.77 0.00 0.00 57.85 57.06 3ffs n ARG 256 Cb 0.48 -1.38 -0.09 0.00 -1.02 0.00 0.00 32.46 30.45 3ffs n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3ffs s TYR 257 N -2.64 1.98 0.20 -1.55 1.51 -1.26 -5.01 117.35 110.59 3ffs s TYR 257 Ca -0.31 -1.01 -0.10 0.00 -1.01 0.00 0.00 57.07 54.64 3ffs s TYR 257 Cb 0.09 -1.38 0.23 0.00 -0.11 0.00 0.00 41.96 40.79 3ffs s TYR 257 CO 0.42 0.02 1.79 0.77 -1.11 0.00 0.00 175.55 177.45 3ffs h SER 258 N 1.85 0.46 0.00 2.29 0.02 -1.90 -1.62 113.55 114.65 3ffs h SER 258 Ca -0.40 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 3ffs h SER 258 Cb 1.26 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3ffs h SER 258 CO 0.68 0.30 0.00 0.61 -1.14 0.00 0.00 176.83 177.28 3ffs n GLY 259 N -1.28 -0.54 0.09 -3.77 0.00 -1.26 -2.36 105.19 96.07 3ffs n GLY 259 Ca 0.08 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 3ffs n GLY 259 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ffs h ASP 260 N 0.00 0.05 0.49 1.61 3.32 -1.71 -3.37 116.42 116.82 3ffs h ASP 260 Ca 0.00 -0.78 -0.03 0.00 0.02 0.00 0.00 57.03 56.24 3ffs h ASP 260 Cb 0.00 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 3ffs h ASP 260 CO 0.00 1.28 -0.14 0.16 -1.72 0.00 0.00 179.24 178.82 3ffs h ILE 261 N -0.91 0.56 0.21 0.35 3.07 -1.58 -2.34 117.51 116.86 3ffs h ILE 261 Ca -0.18 -0.67 -0.01 0.00 1.55 0.00 0.00 64.86 65.55 3ffs h ILE 261 Cb 1.22 1.44 0.00 0.00 -0.27 0.00 0.00 36.82 39.21 3ffs h ILE 261 CO -0.08 0.14 -0.10 1.23 -1.05 0.00 0.00 178.15 178.29 3ffs h GLY 262 N 1.12 -0.30 1.29 0.16 0.00 -1.74 -3.02 103.07 100.59 3ffs h GLY 262 Ca -0.00 0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.48 3ffs h GLY 262 CO 0.02 -0.11 0.37 0.50 0.00 0.00 0.00 176.54 177.32 3ffs h LYS 263 N -0.49 0.56 0.80 4.80 1.57 -1.58 -1.41 116.57 120.82 3ffs h LYS 263 Ca -0.03 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 3ffs h LYS 263 Cb 0.37 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.56 3ffs h LYS 263 CO 0.05 0.37 -0.38 0.00 -0.57 0.00 0.00 179.45 178.92 3ffs h ALA 264 N 1.69 -1.26 -0.92 3.86 0.00 -1.41 -2.56 119.26 118.66 3ffs h ALA 264 Ca 0.23 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ffs h ALA 264 Cb 0.19 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3ffs h ALA 264 CO -0.06 -1.18 0.60 -0.07 0.00 0.00 0.00 179.25 178.54 3ffs h LEU 265 N -1.09 1.07 -1.60 0.00 3.38 -1.48 -1.96 115.31 113.63 3ffs h LEU 265 Ca -0.11 -0.03 0.29 0.00 0.09 0.00 0.00 57.88 58.12 3ffs h LEU 265 Cb 0.82 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 41.23 3ffs h LEU 265 CO 0.18 0.78 0.73 0.00 0.09 0.00 0.00 178.44 180.22 3ffs h ALA 266 N 1.33 2.56 0.02 1.53 0.00 -1.23 -2.21 119.26 121.25 3ffs h ALA 266 Ca 0.34 0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.98 3ffs h ALA 266 Cb -0.13 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3ffs h ALA 266 CO -0.07 -0.94 -1.71 0.28 0.00 0.00 0.00 179.25 176.81 3ffs h VAL 267 N 0.24 0.86 0.00 0.00 2.07 -0.92 -3.41 116.25 115.08 3ffs h VAL 267 Ca 0.58 -2.69 0.00 0.00 0.82 0.00 0.00 66.70 65.41 3ffs h VAL 267 Cb 1.78 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 34.00 3ffs h VAL 267 CO -0.19 0.56 0.00 0.61 0.02 0.00 0.00 177.57 178.57 3ffs n GLY 268 N 1.60 0.61 3.49 2.17 0.00 -0.83 -4.64 105.19 107.59 3ffs n GLY 268 Ca -0.18 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 3ffs n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ffs n ALA 269 N 0.00 -1.21 -0.06 4.61 0.00 -1.09 -4.69 120.51 118.07 3ffs n ALA 269 Ca 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 53.44 53.66 3ffs n ALA 269 Cb 0.00 -1.84 -0.14 0.00 0.00 0.00 0.00 19.45 17.47 3ffs n ALA 269 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ffs n SER 270 N 1.26 0.63 -0.71 0.00 7.64 0.33 -4.26 113.62 118.49 3ffs n SER 270 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.00 3ffs n SER 270 Cb 0.36 1.27 0.00 0.00 -1.01 0.00 0.00 64.21 64.83 3ffs n SER 270 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3ffs n SER 271 N -2.48 0.00 -3.67 6.43 3.41 -0.80 -4.73 113.62 111.78 3ffs n SER 271 Ca -0.20 -0.71 -0.13 0.00 -0.26 0.00 0.00 58.87 57.56 3ffs n SER 271 Cb 0.87 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.74 3ffs n SER 271 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ffs s VAL 272 N -2.00 -0.00 -0.21 -3.33 0.11 -0.70 -2.86 120.40 111.42 3ffs s VAL 272 Ca 0.00 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.96 3ffs s VAL 272 Cb 0.00 -0.84 -0.05 0.00 -1.53 0.00 0.00 36.38 33.96 3ffs s VAL 272 CO 0.00 0.00 0.12 -0.32 -3.33 0.00 0.00 175.10 171.57 3ffs s MET 273 N 0.39 4.11 -0.29 1.54 1.75 0.32 -2.34 119.30 124.77 3ffs s MET 273 Ca -0.01 -0.26 -0.04 0.00 -1.25 0.00 0.00 55.69 54.13 3ffs s MET 273 Cb -0.04 -3.40 0.03 0.00 2.84 0.00 0.00 34.83 34.25 3ffs s MET 273 CO -0.00 0.23 0.03 0.42 -0.65 0.00 0.00 175.02 175.05 3ffs s ILE 274 N 0.55 3.46 0.00 10.11 1.01 -0.50 -3.62 121.20 132.22 3ffs s ILE 274 Ca 0.07 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.71 3ffs s ILE 274 Cb -0.12 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.49 3ffs s ILE 274 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.57 3ffs n GLY 275 N 4.76 0.49 0.64 6.18 0.00 -1.26 -1.72 105.19 114.27 3ffs n GLY 275 Ca -0.14 0.00 0.46 0.00 0.00 0.00 0.00 46.02 46.34 3ffs n GLY 275 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3ffs h SER 276 N 0.00 0.02 1.05 1.61 0.87 -1.95 0.41 113.55 115.56 3ffs h SER 276 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3ffs h SER 276 Cb 0.00 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3ffs h SER 276 CO 0.00 -0.01 0.00 0.00 -0.53 0.00 0.00 176.83 176.29 3ffs n ILE 277 N -4.07 0.60 0.09 2.23 0.13 -1.26 -2.68 119.36 114.40 3ffs n ILE 277 Ca 0.37 -0.02 0.06 0.00 -1.10 0.00 0.00 62.75 62.07 3ffs n ILE 277 Cb 1.71 -0.79 -0.09 0.00 -0.84 0.00 0.00 39.64 39.63 3ffs n ILE 277 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 3ffs n LEU 278 N -2.02 0.10 0.00 9.51 4.77 0.14 -4.86 117.00 124.64 3ffs n LEU 278 Ca 0.05 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3ffs n LEU 278 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3ffs n LEU 278 CO 0.25 0.02 0.00 0.00 -1.33 0.00 0.00 177.39 176.33 3ffs n ALA 279 N -1.80 0.00 -0.82 -1.18 0.00 -0.80 -1.69 120.51 114.22 3ffs n ALA 279 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.51 3ffs n ALA 279 Cb 0.29 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.10 3ffs n ALA 279 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ffs n GLY 280 N -0.99 3.08 3.51 0.00 0.00 -1.26 -4.32 105.19 105.22 3ffs n GLY 280 Ca 0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 3ffs n GLY 280 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ffs s THR 281 N -2.46 1.74 0.12 2.61 -4.23 -0.68 -2.14 115.64 110.60 3ffs s THR 281 Ca 0.51 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.87 3ffs s THR 281 Cb 0.37 -2.27 -0.02 0.00 1.34 0.00 0.00 72.50 71.92 3ffs s THR 281 CO 0.18 0.00 1.58 -0.08 -0.54 0.00 0.00 174.62 175.75 3ffs h GLU 282 N -2.64 0.66 0.00 3.99 4.57 -1.30 -3.17 114.58 116.70 3ffs h GLU 282 Ca -0.53 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 57.45 3ffs h GLU 282 Cb 1.33 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 3ffs h GLU 282 CO 0.44 0.75 0.00 0.39 -1.18 0.00 0.00 179.01 179.41 3ffs n GLU 283 N -4.49 0.80 -3.99 1.92 4.71 -1.26 -4.80 120.64 113.52 3ffs n GLU 283 Ca -0.01 0.00 -0.25 0.00 -0.01 0.00 0.00 57.16 56.89 3ffs n GLU 283 Cb 0.26 -1.17 -0.04 0.00 -1.01 0.00 0.00 31.44 29.49 3ffs n GLU 283 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3ffs s SER 284 N -1.47 6.08 0.05 1.62 1.04 -1.20 -2.98 113.70 116.84 3ffs s SER 284 Ca 0.13 0.05 -0.04 0.00 0.48 0.00 0.00 55.95 56.57 3ffs s SER 284 Cb 0.06 -1.75 0.05 0.00 0.10 0.00 0.00 66.02 64.47 3ffs s SER 284 CO 0.10 0.03 0.35 -2.65 0.98 0.00 0.00 173.24 172.05 3ffs n PRO 285 N -0.70 -0.06 -1.00 4.02 -0.02 -1.26 -4.84 135.00 131.15 3ffs n PRO 285 Ca -0.08 0.35 -0.34 0.00 -2.02 0.00 0.00 63.50 61.41 3ffs n PRO 285 Cb 0.55 -0.51 0.09 0.00 -0.02 0.00 0.00 33.50 33.61 3ffs n PRO 285 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ffs n GLY 286 N -1.10 -2.03 0.00 -1.23 0.00 -1.26 -5.03 105.19 94.53 3ffs n GLY 286 Ca 0.02 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3ffs n GLY 286 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ffs n GLU 287 N -0.97 3.84 -3.70 1.61 4.07 -1.25 -4.71 120.64 119.54 3ffs n GLU 287 Ca 0.07 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 57.07 3ffs n GLU 287 Cb 0.52 0.00 -0.11 0.00 -0.06 0.00 0.00 31.44 31.79 3ffs n GLU 287 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 3ffs s LYS 288 N 0.00 0.32 -0.09 5.31 -2.85 -1.26 -3.85 119.74 117.32 3ffs s LYS 288 Ca 0.00 0.75 0.03 0.00 -1.00 0.00 0.00 55.97 55.75 3ffs s LYS 288 Cb 0.00 -0.01 -0.01 0.00 -2.06 0.00 0.00 37.83 35.75 3ffs s LYS 288 CO 0.00 -0.18 -0.19 -1.21 0.10 0.00 0.00 175.35 173.88 3ffs s GLU 289 N 1.57 2.96 0.00 1.78 8.01 -0.41 -4.88 118.70 127.74 3ffs s GLU 289 Ca -0.08 -0.78 0.23 0.00 0.01 0.00 0.00 54.97 54.35 3ffs s GLU 289 Cb -0.09 -2.40 0.11 0.00 -4.31 0.00 0.00 34.13 27.43 3ffs s GLU 289 CO -0.12 0.32 1.17 1.28 0.01 0.00 0.00 175.26 177.92 3ffs n LEU 290 N 3.18 2.57 -4.51 1.80 7.99 -1.26 -1.47 117.00 125.30 3ffs n LEU 290 Ca -0.18 -0.90 -0.36 0.00 -0.01 0.00 0.00 56.01 54.56 3ffs n LEU 290 Cb 0.52 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.69 3ffs n LEU 290 CO 0.28 0.45 2.13 0.00 -1.51 0.00 0.00 177.39 178.74 3ffs n ILE 291 N 0.78 -0.01 0.00 -0.08 0.13 -1.25 -4.64 119.36 114.28 3ffs n ILE 291 Ca 0.12 -0.23 0.00 0.00 -1.10 0.00 0.00 62.75 61.54 3ffs n ILE 291 Cb 0.54 -0.85 0.00 0.00 -0.84 0.00 0.00 39.64 38.48 3ffs n ILE 291 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3ffs n GLY 292 N 6.27 0.00 4.35 4.50 0.00 -1.26 -3.81 105.19 115.24 3ffs n GLY 292 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.63 3ffs n GLY 292 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ffs n ASP 293 N 0.00 0.00 -3.47 1.61 2.03 -1.26 -4.84 116.55 110.61 3ffs n ASP 293 Ca 0.00 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.17 3ffs n ASP 293 Cb 0.00 -1.49 -0.04 0.00 -0.72 0.00 0.00 41.12 38.87 3ffs n ASP 293 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3ffs s THR 294 N -1.44 0.00 -0.03 5.18 -1.32 -1.25 -5.17 115.64 111.61 3ffs s THR 294 Ca 0.00 -0.03 0.01 0.00 -1.21 0.00 0.00 61.69 60.46 3ffs s THR 294 Cb 0.00 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.00 3ffs s THR 294 CO 0.00 -0.02 -0.06 -0.69 -2.21 0.00 0.00 174.62 171.65 3ffs s VAL 295 N -2.73 0.57 0.21 5.08 1.01 -1.26 -3.90 120.40 119.38 3ffs s VAL 295 Ca -0.04 -0.19 0.11 0.00 0.00 0.00 0.00 61.98 61.86 3ffs s VAL 295 Cb -0.01 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 3ffs s VAL 295 CO -0.04 0.21 -0.21 -0.31 0.00 0.00 0.00 175.10 174.75 3ffs s TYR 296 N 0.59 2.15 -0.45 5.22 1.51 -0.54 -2.04 117.35 123.78 3ffs s TYR 296 Ca -0.08 -0.39 -0.13 0.00 -1.01 0.00 0.00 57.07 55.46 3ffs s TYR 296 Cb -0.11 -1.02 0.08 0.00 -0.11 0.00 0.00 41.96 40.79 3ffs s TYR 296 CO 0.00 0.51 0.34 -1.59 -1.11 0.00 0.00 175.55 173.70 3ffs s LYS 297 N -2.98 2.80 -0.22 -0.62 0.00 0.78 -1.28 119.74 118.21 3ffs s LYS 297 Ca 0.22 -1.43 -0.13 0.00 0.00 0.00 0.00 55.97 54.63 3ffs s LYS 297 Cb -0.06 -3.98 -0.05 0.00 0.00 0.00 0.00 37.83 33.74 3ffs s LYS 297 CO 0.10 -1.02 0.25 -0.47 0.00 0.00 0.00 175.35 174.22 3ffs s TYR 298 N 1.54 3.34 -0.29 1.78 5.04 -1.25 -2.98 117.35 124.53 3ffs s TYR 298 Ca 0.04 0.38 -0.07 0.00 -2.44 0.00 0.00 57.07 54.98 3ffs s TYR 298 Cb -0.24 -2.36 0.00 0.00 0.35 0.00 0.00 41.96 39.71 3ffs s TYR 298 CO 0.04 0.05 0.09 0.50 -1.34 0.00 0.00 175.55 174.89 3ffs s ARG 334 N 1.11 3.22 0.08 4.97 3.52 -1.26 -3.90 118.95 126.69 3ffs s ARG 334 Ca 0.12 -0.77 -0.26 0.00 -0.13 0.00 0.00 55.73 54.69 3ffs s ARG 334 Cb -0.14 -3.40 0.07 0.00 -1.56 0.00 0.00 34.95 29.93 3ffs s ARG 334 CO 0.05 -0.40 0.65 0.54 -0.81 0.00 0.00 175.30 175.34 3ffs s VAL 335 N 1.54 0.00 0.39 7.11 0.11 -1.16 -5.17 120.40 123.22 3ffs s VAL 335 Ca 0.04 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.84 3ffs s VAL 335 Cb -0.17 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.59 3ffs s VAL 335 CO 0.03 0.00 1.04 -1.59 -3.33 0.00 0.00 175.10 171.25 3ffs s LYS 336 N -2.86 4.23 -0.11 1.54 0.00 -1.26 -0.16 119.74 121.13 3ffs s LYS 336 Ca -0.02 1.50 -0.30 0.00 0.00 0.00 0.00 55.97 57.15 3ffs s LYS 336 Cb -0.01 -2.59 -0.02 0.00 0.00 0.00 0.00 37.83 35.21 3ffs s LYS 336 CO -0.05 -0.08 1.16 -0.47 0.00 0.00 0.00 175.35 175.90 3ffs s TYR 337 N -1.64 3.20 -0.37 1.78 5.04 -0.87 -4.06 117.35 120.44 3ffs s TYR 337 Ca 0.56 1.28 0.06 0.00 -2.44 0.00 0.00 57.07 56.53 3ffs s TYR 337 Cb -0.22 -3.37 0.47 0.00 0.35 0.00 0.00 41.96 39.19 3ffs s TYR 337 CO 0.28 -1.08 1.45 0.36 -1.34 0.00 0.00 175.55 175.22 3ffs n LYS 338 N 5.58 2.86 0.00 4.97 2.85 -0.91 -4.95 118.16 128.57 3ffs n LYS 338 Ca 0.11 -3.68 0.00 0.00 -1.05 0.00 0.00 58.31 53.69 3ffs n LYS 338 Cb 0.46 -2.13 0.00 0.00 -0.65 0.00 0.00 35.03 32.71 3ffs n LYS 338 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3ffs n GLY 339 N -0.88 0.64 3.70 2.58 0.00 -1.26 -4.61 105.19 105.36 3ffs n GLY 339 Ca 0.45 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 3ffs n GLY 339 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ffs s GLU 340 N 0.00 4.41 0.31 1.61 0.41 -1.26 -0.88 118.70 123.30 3ffs s GLU 340 Ca 0.00 1.72 0.02 0.00 -0.41 0.00 0.00 54.97 56.30 3ffs s GLU 340 Cb 0.00 -3.43 0.50 0.00 -1.78 0.00 0.00 34.13 29.42 3ffs s GLU 340 CO 0.00 -0.32 1.82 1.98 -0.49 0.00 0.00 175.26 178.25 3ffs h MET 341 N 7.06 0.58 -0.29 1.61 4.05 -1.96 -3.22 114.93 122.77 3ffs h MET 341 Ca -0.39 -0.15 0.06 0.00 -0.28 0.00 0.00 59.70 58.94 3ffs h MET 341 Cb 1.20 -0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 31.84 3ffs h MET 341 CO 0.83 0.64 -0.40 0.93 0.23 0.00 0.00 176.91 179.14 3ffs h GLU 342 N 0.55 -0.36 -0.77 0.39 3.07 -1.96 -1.19 114.58 114.31 3ffs h GLU 342 Ca 0.11 0.02 0.18 0.00 -0.50 0.00 0.00 59.36 59.17 3ffs h GLU 342 Cb 0.42 0.08 -0.13 0.00 -0.84 0.00 0.00 28.75 28.28 3ffs h GLU 342 CO 0.02 -0.24 0.05 0.78 -1.40 0.00 0.00 179.01 178.22 3ffs h GLY 343 N -0.37 0.93 1.02 -3.84 0.00 -1.98 0.25 103.07 99.06 3ffs h GLY 343 Ca 0.12 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 3ffs h GLY 343 CO -0.49 -0.29 0.39 -2.08 0.00 0.00 0.00 176.54 174.08 3ffs h VAL 344 N 0.13 1.24 0.00 4.60 2.07 -1.36 0.59 116.25 123.53 3ffs h VAL 344 Ca 0.43 -0.66 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 3ffs h VAL 344 Cb 0.77 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3ffs h VAL 344 CO -0.65 0.28 -0.57 0.58 0.02 0.00 0.00 177.57 177.24 3ffs h VAL 345 N 1.09 1.21 0.06 2.57 2.07 -0.69 -2.89 116.25 119.67 3ffs h VAL 345 Ca 0.27 -2.09 -0.00 0.00 0.82 0.00 0.00 66.70 65.70 3ffs h VAL 345 Cb 0.09 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 3ffs h VAL 345 CO -0.04 0.56 -0.03 1.88 0.02 0.00 0.00 177.57 179.96 3ffs h TYR 346 N 0.00 -0.07 0.00 1.57 0.99 0.11 -1.95 116.97 117.62 3ffs h TYR 346 Ca -0.01 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 3ffs h TYR 346 Cb 1.15 0.02 0.00 0.00 1.00 0.00 0.00 36.73 38.90 3ffs h TYR 346 CO 0.00 0.24 0.00 -0.56 -0.00 0.00 0.00 178.16 177.84 3ffs h GLN 347 N -0.39 0.00 0.12 4.88 3.07 -0.90 0.07 115.11 121.95 3ffs h GLN 347 Ca -0.01 0.00 -0.36 0.00 0.09 0.00 0.00 58.65 58.37 3ffs h GLN 347 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.88 3ffs h GLN 347 CO 0.01 0.00 -2.02 1.28 0.09 0.00 0.00 178.83 178.20 3ffs n LEU 348 N -2.65 2.61 -0.07 0.06 4.77 -1.09 -2.90 117.00 117.72 3ffs n LEU 348 Ca 0.00 0.20 -0.10 0.00 -0.03 0.00 0.00 56.01 56.08 3ffs n LEU 348 Cb 0.20 -1.07 -0.03 0.00 -2.33 0.00 0.00 43.42 40.19 3ffs n LEU 348 CO 0.21 0.85 0.92 0.58 -1.33 0.00 0.00 177.39 178.61 3ffs h VAL 349 N 0.07 1.13 -0.98 4.08 2.07 -1.11 -1.71 116.25 119.81 3ffs h VAL 349 Ca -0.43 -0.37 0.12 0.00 0.82 0.00 0.00 66.70 66.85 3ffs h VAL 349 Cb 2.03 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 32.62 3ffs h VAL 349 CO 0.08 0.13 0.62 1.23 0.02 0.00 0.00 177.57 179.65 3ffs h GLY 350 N 0.29 1.54 0.84 2.17 0.00 -1.12 0.76 103.07 107.55 3ffs h GLY 350 Ca 0.09 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 3ffs h GLY 350 CO -0.01 0.16 -0.06 -1.33 0.00 0.00 0.00 176.54 175.29 3ffs h GLY 351 N 0.94 0.51 0.85 4.60 0.00 -1.37 -1.81 103.07 106.78 3ffs h GLY 351 Ca 0.48 -0.42 0.04 0.00 0.00 0.00 0.00 47.33 47.43 3ffs h GLY 351 CO -0.25 0.38 0.63 -2.00 0.00 0.00 0.00 176.54 175.31 3ffs h LEU 352 N 0.21 1.04 0.32 3.11 6.46 -0.36 -0.99 115.31 125.09 3ffs h LEU 352 Ca 0.06 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.81 3ffs h LEU 352 Cb 0.53 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 3ffs h LEU 352 CO 0.02 0.70 -0.25 0.03 -0.62 0.00 0.00 178.44 178.32 3ffs h ARG 353 N 1.20 -0.55 0.00 1.25 3.08 -0.76 -1.49 114.38 117.10 3ffs h ARG 353 Ca 0.39 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.46 3ffs h ARG 353 Cb 0.04 0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 3ffs h ARG 353 CO -0.13 -0.37 -0.07 1.03 -1.07 0.00 0.00 179.97 179.36 3ffs h SER 354 N -0.58 0.00 -0.02 7.04 0.87 -1.06 -1.09 113.55 118.72 3ffs h SER 354 Ca -0.02 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.35 3ffs h SER 354 Cb 0.50 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.48 3ffs h SER 354 CO -0.01 0.07 -0.70 0.00 -0.53 0.00 0.00 176.83 175.66 3ffs h MET 356 N 0.06 0.00 0.00 0.00 -1.53 -0.73 -2.66 114.93 110.07 3ffs h MET 356 Ca -0.08 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.18 3ffs h MET 356 Cb 1.39 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.44 3ffs h MET 356 CO 0.14 0.79 0.00 0.41 0.14 0.00 0.00 176.91 178.39 3ffs n GLY 357 N 0.96 -2.79 0.06 1.39 0.00 -0.46 -1.40 105.19 102.94 3ffs n GLY 357 Ca -0.00 0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.21 3ffs n GLY 357 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ffs n TYR 358 N -0.47 0.11 1.44 1.61 0.53 -1.19 0.93 117.16 120.13 3ffs n TYR 358 Ca 0.00 0.21 0.14 0.00 -1.02 0.00 0.00 57.90 57.22 3ffs n TYR 358 Cb 0.00 -0.63 0.48 0.00 -1.03 0.00 0.00 39.34 38.16 3ffs n TYR 358 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 3ffs n LEU 359 N -3.95 1.55 -1.90 7.72 4.32 -1.00 -1.64 117.00 122.09 3ffs n LEU 359 Ca 0.04 -0.51 -0.21 0.00 -0.02 0.00 0.00 56.01 55.32 3ffs n LEU 359 Cb 0.14 -0.01 -0.06 0.00 -1.62 0.00 0.00 43.42 41.86 3ffs n LEU 359 CO -0.01 0.26 -0.22 0.61 -1.22 0.00 0.00 177.39 176.81 3ffs n GLY 360 N 1.21 1.05 3.65 -0.72 0.00 0.26 -4.32 105.19 106.33 3ffs n GLY 360 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3ffs n GLY 360 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ffs s SER 361 N -2.49 6.87 0.14 1.61 0.15 -0.95 -4.87 113.70 114.17 3ffs s SER 361 Ca 0.00 1.08 0.25 0.00 0.70 0.00 0.00 55.95 57.98 3ffs s SER 361 Cb 0.00 -2.44 0.58 0.00 -1.71 0.00 0.00 66.02 62.46 3ffs s SER 361 CO 0.00 -0.45 1.54 0.00 1.20 0.00 0.00 173.24 175.53 3ffs n ALA 362 N 5.63 2.67 -3.55 5.45 0.00 -1.26 -4.56 120.51 124.88 3ffs n ALA 362 Ca 0.05 -0.16 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 3ffs n ALA 362 Cb 0.48 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 3ffs n ALA 362 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ffs s SER 363 N -4.23 -0.28 0.33 0.00 1.04 -1.26 -0.96 113.70 108.33 3ffs s SER 363 Ca 0.09 0.09 0.05 0.00 0.48 0.00 0.00 55.95 56.66 3ffs s SER 363 Cb 0.13 0.28 0.69 0.00 0.10 0.00 0.00 66.02 67.22 3ffs s SER 363 CO 0.66 -0.42 1.89 0.40 0.98 0.00 0.00 173.24 176.75 3ffs h ILE 364 N 2.12 0.94 0.00 -1.02 2.04 -1.83 0.17 117.51 119.92 3ffs h ILE 364 Ca -0.17 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 3ffs h ILE 364 Cb 1.20 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 3ffs h ILE 364 CO 0.28 0.15 -0.08 -0.33 0.00 0.00 0.00 178.15 178.18 3ffs h GLU 365 N 0.84 0.00 0.00 2.37 3.07 -1.94 -2.09 114.58 116.83 3ffs h GLU 365 Ca 0.42 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.07 3ffs h GLU 365 Cb 0.48 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.35 3ffs h GLU 365 CO -0.19 0.08 -1.10 0.93 -1.40 0.00 0.00 179.01 177.34 3ffs h GLU 366 N 0.00 0.00 0.00 2.33 4.39 -1.10 -3.24 114.58 116.96 3ffs h GLU 366 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3ffs h GLU 366 Cb 0.21 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3ffs h GLU 366 CO 0.01 0.78 -0.14 1.25 -1.16 0.00 0.00 179.01 179.75 3ffs h LEU 367 N 0.00 0.00 0.00 1.33 5.85 -0.87 -0.82 115.31 120.80 3ffs h LEU 367 Ca -0.07 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 3ffs h LEU 367 Cb 1.75 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.77 3ffs h LEU 367 CO 0.11 0.14 -0.44 -0.50 -0.34 0.00 0.00 178.44 177.41 3ffs h TRP 368 N 0.00 0.00 0.15 1.25 6.55 -1.54 -3.17 115.95 119.19 3ffs h TRP 368 Ca -0.00 0.00 -0.33 0.00 0.95 0.00 0.00 58.89 59.51 3ffs h TRP 368 Cb 0.65 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.95 3ffs h TRP 368 CO 0.00 0.39 -1.65 0.87 -1.05 0.00 0.00 178.44 177.00 3ffs h LYS 369 N 0.00 0.33 -0.21 0.49 6.56 -1.48 -3.40 116.57 118.85 3ffs h LYS 369 Ca -0.01 -0.56 -0.06 0.00 -1.06 0.00 0.00 60.65 58.96 3ffs h LYS 369 Cb 1.30 0.21 -0.04 0.00 -0.57 0.00 0.00 32.23 33.13 3ffs h LYS 369 CO 0.05 1.21 -0.07 1.63 -2.06 0.00 0.00 179.45 180.21 3ffs n LYS 370 N -3.52 2.10 0.00 3.15 5.02 -0.36 -4.95 118.16 119.60 3ffs n LYS 370 Ca -0.21 -2.95 0.00 0.00 -2.02 0.00 0.00 58.31 53.14 3ffs n LYS 370 Cb 1.06 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 3ffs n LYS 370 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3ffs n SER 371 N -0.97 0.00 -0.39 4.39 7.64 -1.20 -4.94 113.62 118.15 3ffs n SER 371 Ca 0.24 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.12 3ffs n SER 371 Cb 0.87 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 3ffs n SER 371 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3ffs n SER 372 N 0.00 -3.18 -3.92 6.43 2.88 -1.26 -4.65 113.62 109.92 3ffs n SER 372 Ca 0.00 0.22 -0.10 0.00 -1.33 0.00 0.00 58.87 57.66 3ffs n SER 372 Cb 0.00 -0.31 -0.10 0.00 -0.75 0.00 0.00 64.21 63.04 3ffs n SER 372 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 3ffs s TYR 373 N -0.94 0.14 0.20 0.66 1.13 -1.26 -2.14 117.35 115.13 3ffs s TYR 373 Ca 0.00 -0.31 0.06 0.00 -1.41 0.00 0.00 57.07 55.40 3ffs s TYR 373 Cb 0.00 -0.11 -0.04 0.00 -1.10 0.00 0.00 41.96 40.71 3ffs s TYR 373 CO 0.00 -0.25 0.17 0.14 -2.51 0.00 0.00 175.55 173.10 3ffs s VAL 374 N -1.44 4.51 -0.09 -3.49 -7.23 -0.65 -4.90 120.40 107.12 3ffs s VAL 374 Ca -0.15 -1.19 -0.16 0.00 -1.81 0.00 0.00 61.98 58.67 3ffs s VAL 374 Cb -0.09 -3.36 -0.05 0.00 0.56 0.00 0.00 36.38 33.45 3ffs s VAL 374 CO 0.00 -0.20 0.42 -0.70 -0.31 0.00 0.00 175.10 174.31 3ffs s GLU 375 N -3.40 4.18 -0.45 4.82 2.12 -1.26 -1.71 118.70 123.01 3ffs s GLU 375 Ca 0.32 0.36 -0.10 0.00 0.36 0.00 0.00 54.97 55.91 3ffs s GLU 375 Cb -0.09 -3.36 0.10 0.00 0.26 0.00 0.00 34.13 31.03 3ffs s GLU 375 CO 0.24 0.35 0.32 0.42 -0.54 0.00 0.00 175.26 176.06 3ffs s ILE 376 N 0.03 4.43 -1.21 -3.70 -1.09 0.24 -4.94 121.20 114.95 3ffs s ILE 376 Ca 0.23 -1.50 -0.13 0.00 -2.23 0.00 0.00 60.65 57.03 3ffs s ILE 376 Cb -0.15 -3.78 -0.06 0.00 -1.58 0.00 0.00 42.46 36.89 3ffs s ILE 376 CO 0.10 -0.64 2.32 1.07 -1.23 0.00 0.00 174.94 176.56 3ffs n THR 377 N 4.98 3.05 0.00 2.92 5.66 -1.26 -4.82 114.28 124.80 3ffs n THR 377 Ca -0.10 -2.18 0.00 0.00 -3.05 0.00 0.00 64.05 58.72 3ffs n THR 377 Cb 0.42 -2.43 0.00 0.00 -1.55 0.00 0.00 70.33 66.77 3ffs n THR 377 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09