#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kw5 s GLN 2 N 0.00 4.26 0.47 2.12 -2.07 -1.26 -4.76 119.66 118.42 3kw5 s GLN 2 Ca 0.00 1.06 -0.08 0.00 -1.82 0.00 0.00 55.36 54.52 3kw5 s GLN 2 Cb 0.00 -2.41 0.11 0.00 -1.09 0.00 0.00 33.01 29.63 3kw5 s GLN 2 CO 0.00 0.10 0.48 1.28 -1.32 0.00 0.00 175.29 175.83 3kw5 n LEU 3 N -0.24 0.00 -4.83 2.60 4.77 0.36 -4.93 117.00 114.73 3kw5 n LEU 3 Ca 0.05 -0.52 -0.34 0.00 -0.03 0.00 0.00 56.01 55.17 3kw5 n LEU 3 Cb 0.53 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 3kw5 n LEU 3 CO 0.40 -1.28 0.43 -0.54 -1.33 0.00 0.00 177.39 175.07 3kw5 s LYS 4 N -4.08 4.12 0.56 3.23 1.02 -1.26 -4.63 119.74 118.71 3kw5 s LYS 4 Ca 0.30 0.78 -0.21 0.00 0.02 0.00 0.00 55.97 56.86 3kw5 s LYS 4 Cb -0.02 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.64 3kw5 s LYS 4 CO 0.22 0.25 1.28 -2.14 -0.92 0.00 0.00 175.35 174.04 3kw5 s PRO 5 N -2.56 3.10 -0.19 -1.68 0.02 -1.26 -4.72 135.00 127.70 3kw5 s PRO 5 Ca 0.50 2.03 -0.04 0.00 0.02 0.00 0.00 61.00 63.51 3kw5 s PRO 5 Cb -0.13 -2.13 -0.02 0.00 0.02 0.00 0.00 34.50 32.25 3kw5 s PRO 5 CO 0.19 -1.16 -0.03 1.41 -0.33 0.00 0.00 177.00 177.08 3kw5 s MET 6 N -3.06 3.54 0.12 5.54 1.75 -1.26 -4.78 119.30 121.14 3kw5 s MET 6 Ca 0.74 -0.56 -0.31 0.00 -1.25 0.00 0.00 55.69 54.30 3kw5 s MET 6 Cb -0.35 -2.99 -0.09 0.00 2.84 0.00 0.00 34.83 34.23 3kw5 s MET 6 CO 0.40 0.01 1.51 -2.00 -0.65 0.00 0.00 175.02 174.30 3kw5 s GLU 7 N 0.97 4.25 -1.02 4.11 2.12 -1.26 -4.92 118.70 122.95 3kw5 s GLU 7 Ca 0.01 2.23 -0.23 0.00 0.36 0.00 0.00 54.97 57.34 3kw5 s GLU 7 Cb -0.15 -3.29 -0.00 0.00 0.26 0.00 0.00 34.13 30.95 3kw5 s GLU 7 CO 0.01 -0.57 1.73 -1.50 -0.54 0.00 0.00 175.26 174.40 3kw5 s ILE 8 N 1.47 3.71 -0.03 -3.70 2.07 -1.26 -4.73 121.20 118.73 3kw5 s ILE 8 Ca 0.68 -0.75 -0.01 0.00 -1.41 0.00 0.00 60.65 59.16 3kw5 s ILE 8 Cb -0.40 -4.60 0.03 0.00 0.13 0.00 0.00 42.46 37.62 3kw5 s ILE 8 CO 0.31 -1.45 0.02 0.21 -1.91 0.00 0.00 174.94 172.12 3kw5 s ASN 9 N 6.27 0.65 0.18 4.50 2.47 -1.26 -5.03 114.94 122.72 3kw5 s ASN 9 Ca 0.59 0.01 -0.22 0.00 0.42 0.00 0.00 52.86 53.67 3kw5 s ASN 9 Cb -0.02 -0.18 0.10 0.00 -1.45 0.00 0.00 41.25 39.69 3kw5 s ASN 9 CO -0.02 -0.16 1.59 1.55 -3.72 0.00 0.00 177.10 176.35 3kw5 h PRO 10 N 7.70 -0.19 -0.18 0.43 0.13 -1.91 0.18 132.00 138.16 3kw5 h PRO 10 Ca -0.33 0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.85 3kw5 h PRO 10 Cb 1.13 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 3kw5 h PRO 10 CO 0.37 -0.13 -0.05 1.49 -0.23 0.00 0.00 178.00 179.44 3kw5 h GLU 11 N -0.20 -0.02 0.04 0.86 4.81 -1.97 -0.76 114.58 117.35 3kw5 h GLU 11 Ca 0.21 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3kw5 h GLU 11 Cb 0.54 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 3kw5 h GLU 11 CO -0.62 -0.01 -0.02 0.52 -0.73 0.00 0.00 179.01 178.15 3kw5 h MET 12 N -0.02 -0.05 -0.85 1.92 2.86 -1.64 -0.33 114.93 116.83 3kw5 h MET 12 Ca 0.09 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.79 3kw5 h MET 12 Cb 0.15 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.77 3kw5 h MET 12 CO -0.19 0.03 0.53 -0.07 1.06 0.00 0.00 176.91 178.27 3kw5 h LEU 13 N -0.12 0.85 -1.13 1.22 4.07 -0.61 -1.73 115.31 117.85 3kw5 h LEU 13 Ca -0.01 0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.89 3kw5 h LEU 13 Cb 0.11 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 3kw5 h LEU 13 CO 0.01 0.55 -0.23 0.78 -1.08 0.00 0.00 178.44 178.48 3kw5 h ASN 14 N 0.99 0.33 -0.04 -0.43 2.35 -0.83 -1.75 115.58 116.18 3kw5 h ASN 14 Ca 0.36 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.92 3kw5 h ASN 14 Cb 0.12 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3kw5 h ASN 14 CO -0.16 0.57 -0.26 0.50 -1.65 0.00 0.00 177.43 176.43 3kw5 h LYS 15 N 0.30 0.47 -0.33 0.81 1.63 -0.38 -1.28 116.57 117.79 3kw5 h LYS 15 Ca 0.05 -0.18 -0.06 0.00 -0.85 0.00 0.00 60.65 59.61 3kw5 h LYS 15 Cb 0.57 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 3kw5 h LYS 15 CO 0.04 0.69 -0.02 0.28 -3.45 0.00 0.00 179.45 176.99 3kw5 h VAL 16 N 0.41 1.27 -0.72 2.00 2.07 -0.84 -2.47 116.25 117.97 3kw5 h VAL 16 Ca 0.06 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.57 3kw5 h VAL 16 Cb 0.68 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 3kw5 h VAL 16 CO 0.05 0.33 0.48 -0.07 0.02 0.00 0.00 177.57 178.38 3kw5 h LEU 17 N 0.39 0.83 -0.33 2.57 3.38 -1.10 -2.00 115.31 119.04 3kw5 h LEU 17 Ca 0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3kw5 h LEU 17 Cb 0.49 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3kw5 h LEU 17 CO 0.02 0.60 0.16 0.77 0.09 0.00 0.00 178.44 180.09 3kw5 h SER 18 N 0.98 0.43 0.09 -0.43 4.64 -1.21 -1.43 113.55 116.62 3kw5 h SER 18 Ca 0.26 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 3kw5 h SER 18 Cb -0.11 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 3kw5 h SER 18 CO -0.06 0.43 -0.12 0.03 -0.87 0.00 0.00 176.83 176.24 3kw5 h ARG 19 N 0.41 0.07 0.00 4.77 3.08 -1.17 -1.38 114.38 120.15 3kw5 h ARG 19 Ca 0.12 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 3kw5 h ARG 19 Cb 0.11 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3kw5 h ARG 19 CO -0.02 0.19 -0.50 -0.07 -1.07 0.00 0.00 179.97 178.51 3kw5 h LEU 20 N 0.07 0.00 0.00 3.04 3.38 -1.15 -3.44 115.31 117.21 3kw5 h LEU 20 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kw5 h LEU 20 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3kw5 h LEU 20 CO 0.02 0.50 0.00 0.61 0.09 0.00 0.00 178.44 179.66 3kw5 n GLY 21 N 0.71 1.16 3.68 0.83 0.00 -0.52 -0.57 105.19 110.49 3kw5 n GLY 21 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3kw5 n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kw5 s VAL 22 N -2.00 5.11 0.39 1.61 1.01 -0.59 -0.89 120.40 125.03 3kw5 s VAL 22 Ca 0.00 1.06 0.08 0.00 0.00 0.00 0.00 61.98 63.11 3kw5 s VAL 22 Cb 0.00 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3kw5 s VAL 22 CO 0.00 0.21 0.23 0.00 0.00 0.00 0.00 175.10 175.55 3kw5 s ALA 23 N 1.31 3.71 0.00 5.51 0.00 -0.65 -4.58 121.76 127.07 3kw5 s ALA 23 Ca 0.27 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.28 3kw5 s ALA 23 Cb -0.16 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.28 3kw5 s ALA 23 CO 0.11 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.15 3kw5 n GLY 24 N -1.31 -0.21 1.32 0.00 0.00 -1.26 -2.59 105.19 101.14 3kw5 n GLY 24 Ca -0.00 -2.26 0.08 0.00 0.00 0.00 0.00 46.02 43.84 3kw5 n GLY 24 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kw5 n GLN 25 N -0.01 3.66 -3.28 1.61 6.02 -1.26 -4.94 117.38 119.18 3kw5 n GLN 25 Ca 0.00 -2.85 -0.40 0.00 -0.01 0.00 0.00 57.00 53.75 3kw5 n GLN 25 Cb 0.00 -1.90 -0.08 0.00 1.02 0.00 0.00 30.24 29.29 3kw5 n GLN 25 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3kw5 s TRP 26 N -2.30 3.29 0.03 1.08 0.52 -1.26 -3.10 118.94 117.19 3kw5 s TRP 26 Ca 0.46 0.61 -0.06 0.00 0.02 0.00 0.00 56.10 57.13 3kw5 s TRP 26 Cb 0.33 -2.67 -0.01 0.00 -1.15 0.00 0.00 33.47 29.97 3kw5 s TRP 26 CO 0.16 -0.22 0.12 1.03 0.02 0.00 0.00 176.95 178.05 3kw5 s ARG 27 N 2.09 0.57 0.15 4.98 1.81 -0.49 -4.89 118.95 123.16 3kw5 s ARG 27 Ca 0.20 -0.64 -0.30 0.00 -1.72 0.00 0.00 55.73 53.27 3kw5 s ARG 27 Cb -0.16 0.23 -0.07 0.00 -0.45 0.00 0.00 34.95 34.50 3kw5 s ARG 27 CO 0.09 -0.14 0.94 -0.06 -0.68 0.00 0.00 175.30 175.45 3kw5 s PHE 28 N -2.25 3.87 0.04 -0.53 0.40 -1.26 -1.42 117.98 116.82 3kw5 s PHE 28 Ca -0.08 1.82 0.03 0.00 -0.60 0.00 0.00 56.93 58.11 3kw5 s PHE 28 Cb -0.03 -3.02 -0.02 0.00 0.51 0.00 0.00 43.02 40.46 3kw5 s PHE 28 CO -0.03 0.30 -0.10 0.08 0.70 0.00 0.00 175.22 176.17 3kw5 s VAL 29 N -0.40 0.72 0.67 -0.44 1.01 0.14 -4.69 120.40 117.41 3kw5 s VAL 29 Ca 0.44 -1.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.22 3kw5 s VAL 29 Cb -0.24 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.41 3kw5 s VAL 29 CO 0.30 -0.25 1.29 0.47 0.00 0.00 0.00 175.10 176.91 3kw5 n ASP 30 N 1.64 1.96 -4.14 3.32 10.43 -1.26 -0.32 116.55 128.17 3kw5 n ASP 30 Ca -0.21 0.80 -0.33 0.00 2.57 0.00 0.00 54.79 57.62 3kw5 n ASP 30 Cb 0.55 -1.55 -0.16 0.00 1.84 0.00 0.00 41.12 41.79 3kw5 n ASP 30 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3kw5 s VAL 31 N -1.48 2.10 -0.08 2.53 1.01 -0.96 -4.74 120.40 118.79 3kw5 s VAL 31 Ca 0.82 -0.94 0.14 0.00 0.00 0.00 0.00 61.98 61.99 3kw5 s VAL 31 Cb -0.37 -1.87 -0.07 0.00 0.00 0.00 0.00 36.38 34.07 3kw5 s VAL 31 CO 0.41 0.54 1.18 -0.07 0.00 0.00 0.00 175.10 177.16 3kw5 h LEU 32 N 7.73 0.00 -8.03 3.92 3.38 -1.89 -3.43 115.31 116.99 3kw5 h LEU 32 Ca -0.41 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.61 3kw5 h LEU 32 Cb 1.16 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 3kw5 h LEU 32 CO 0.61 0.67 0.19 -0.83 0.09 0.00 0.00 178.44 179.17 3kw5 s GLY 33 N -4.66 0.01 -0.40 0.83 0.00 -1.26 -5.05 107.32 96.80 3kw5 s GLY 33 Ca 0.01 -0.40 0.05 0.00 0.00 0.00 0.00 44.72 44.38 3kw5 s GLY 33 CO 0.79 -0.17 1.65 1.04 0.00 0.00 0.00 173.10 176.41 3kw5 n LEU 34 N -0.46 5.51 -4.26 0.66 4.77 -1.26 -4.58 117.00 117.38 3kw5 n LEU 34 Ca -0.04 -3.93 -0.19 0.00 -0.03 0.00 0.00 56.01 51.82 3kw5 n LEU 34 Cb 0.59 -0.72 -0.11 0.00 -2.33 0.00 0.00 43.42 40.86 3kw5 n LEU 34 CO 0.17 1.34 -0.46 -1.83 -1.33 0.00 0.00 177.39 175.27 3kw5 s GLU 35 N -3.40 1.06 0.33 3.23 4.04 -1.26 -4.89 118.70 117.81 3kw5 s GLU 35 Ca 0.52 -1.24 0.13 0.00 0.04 0.00 0.00 54.97 54.41 3kw5 s GLU 35 Cb 0.44 -1.01 1.04 0.00 0.02 0.00 0.00 34.13 34.63 3kw5 s GLU 35 CO 0.03 0.20 1.64 0.93 -1.84 0.00 0.00 175.26 176.22 3kw5 h GLU 36 N 3.56 0.23 0.00 -4.83 3.07 -1.97 0.31 114.58 114.95 3kw5 h GLU 36 Ca -0.41 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 3kw5 h GLU 36 Cb 1.20 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 3kw5 h GLU 36 CO 0.49 0.15 0.00 0.93 -1.40 0.00 0.00 179.01 179.18 3kw5 h GLU 37 N 0.24 0.00 0.00 2.33 5.08 -1.98 0.71 114.58 120.96 3kw5 h GLU 37 Ca 0.71 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 59.05 3kw5 h GLU 37 Cb 1.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.88 3kw5 h GLU 37 CO -0.66 0.00 -1.34 0.43 -1.00 0.00 0.00 179.01 176.44 3kw5 n SER 38 N -2.85 0.61 -0.03 1.42 7.64 -0.03 -4.32 113.62 116.07 3kw5 n SER 38 Ca 0.03 0.24 -0.10 0.00 1.01 0.00 0.00 58.87 60.05 3kw5 n SER 38 Cb 0.43 0.83 -0.14 0.00 -1.01 0.00 0.00 64.21 64.32 3kw5 n SER 38 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3kw5 n LEU 39 N -2.59 1.05 0.09 -3.43 4.77 -0.44 -3.82 117.00 112.62 3kw5 n LEU 39 Ca -0.03 0.35 0.08 0.00 -0.03 0.00 0.00 56.01 56.38 3kw5 n LEU 39 Cb 0.60 0.02 0.38 0.00 -2.33 0.00 0.00 43.42 42.09 3kw5 n LEU 39 CO 0.42 0.46 0.74 0.61 -1.33 0.00 0.00 177.39 178.29 3kw5 n GLY 40 N 1.63 -0.92 1.03 -0.72 0.00 0.25 -1.27 105.19 105.19 3kw5 n GLY 40 Ca -0.20 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.00 3kw5 n GLY 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kw5 n SER 41 N -1.95 3.03 -4.69 1.61 3.41 -1.25 -4.88 113.62 108.90 3kw5 n SER 41 Ca 0.01 -1.96 -0.36 0.00 -0.26 0.00 0.00 58.87 56.30 3kw5 n SER 41 Cb 0.10 -0.32 -0.08 0.00 -0.26 0.00 0.00 64.21 63.65 3kw5 n SER 41 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kw5 s VAL 42 N -1.37 5.34 0.18 -3.33 1.01 -0.40 -5.05 120.40 116.78 3kw5 s VAL 42 Ca 0.38 0.34 -0.33 0.00 0.00 0.00 0.00 61.98 62.38 3kw5 s VAL 42 Cb 0.21 -3.56 -0.15 0.00 0.00 0.00 0.00 36.38 32.88 3kw5 s VAL 42 CO 0.28 0.36 1.27 -2.65 0.00 0.00 0.00 175.10 174.37 3kw5 n PRO 43 N 3.98 1.47 -4.04 2.72 -0.02 -1.26 -4.96 135.00 132.89 3kw5 n PRO 43 Ca -0.14 0.52 -0.31 0.00 -2.02 0.00 0.00 63.50 61.56 3kw5 n PRO 43 Cb 0.52 -2.10 -0.06 0.00 -0.02 0.00 0.00 33.50 31.84 3kw5 n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kw5 s ALA 44 N -0.03 3.60 0.49 3.55 0.00 -1.26 -3.97 121.76 124.15 3kw5 s ALA 44 Ca 0.73 -0.99 -0.18 0.00 0.00 0.00 0.00 51.96 51.52 3kw5 s ALA 44 Cb -0.79 -1.48 -0.09 0.00 0.00 0.00 0.00 23.12 20.76 3kw5 s ALA 44 CO 0.50 0.75 0.98 -2.14 0.00 0.00 0.00 175.76 175.85 3kw5 s PRO 45 N -2.34 4.02 -0.28 0.00 0.02 -1.26 -4.63 135.00 130.52 3kw5 s PRO 45 Ca 0.29 1.05 -0.03 0.00 0.02 0.00 0.00 61.00 62.34 3kw5 s PRO 45 Cb -0.12 -2.14 0.03 0.00 0.02 0.00 0.00 34.50 32.28 3kw5 s PRO 45 CO 0.22 -0.22 -0.01 0.00 -0.33 0.00 0.00 177.00 176.66 3kw5 s ALA 46 N -2.41 2.81 -0.49 -1.55 0.00 -1.25 -1.97 121.76 116.89 3kw5 s ALA 46 Ca 0.61 -1.57 0.23 0.00 0.00 0.00 0.00 51.96 51.23 3kw5 s ALA 46 Cb -0.10 -1.87 0.11 0.00 0.00 0.00 0.00 23.12 21.26 3kw5 s ALA 46 CO 0.24 -1.01 1.10 0.00 0.00 0.00 0.00 175.76 176.09 3kw5 s ALA 48 N -3.25 -1.09 -0.19 0.00 0.00 -1.23 -4.31 121.76 111.69 3kw5 s ALA 48 Ca 0.03 1.30 -0.02 0.00 0.00 0.00 0.00 51.96 53.27 3kw5 s ALA 48 Cb 0.13 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 3kw5 s ALA 48 CO 0.78 -0.22 -0.09 -1.17 0.00 0.00 0.00 175.76 175.06 3kw5 s LEU 49 N 0.45 2.73 -0.16 0.00 2.96 -0.50 -1.43 118.68 122.73 3kw5 s LEU 49 Ca -0.02 -0.41 -0.06 0.00 -0.22 0.00 0.00 54.13 53.42 3kw5 s LEU 49 Cb -0.04 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 3kw5 s LEU 49 CO -0.02 0.03 0.04 -0.22 -1.32 0.00 0.00 176.35 174.86 3kw5 s LEU 50 N 1.15 3.70 -0.03 -0.68 2.96 -0.53 -0.12 118.68 125.14 3kw5 s LEU 50 Ca 0.01 0.07 0.06 0.00 -0.22 0.00 0.00 54.13 54.05 3kw5 s LEU 50 Cb -0.14 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 3kw5 s LEU 50 CO -0.03 0.21 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.79 3kw5 s LEU 51 N 0.12 2.01 -0.11 -0.68 2.96 0.11 -1.93 118.68 121.16 3kw5 s LEU 51 Ca 0.04 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.58 3kw5 s LEU 51 Cb -0.13 -1.11 0.00 0.00 0.50 0.00 0.00 46.19 45.46 3kw5 s LEU 51 CO 0.01 0.22 -0.22 -0.22 -1.32 0.00 0.00 176.35 174.82 3kw5 s LEU 52 N -0.26 2.17 0.01 -0.68 0.20 0.12 -0.32 118.68 119.92 3kw5 s LEU 52 Ca 0.02 -0.54 -0.07 0.00 0.69 0.00 0.00 54.13 54.23 3kw5 s LEU 52 Cb -0.10 -1.44 -0.00 0.00 -0.43 0.00 0.00 46.19 44.21 3kw5 s LEU 52 CO 0.01 0.14 0.12 0.72 -0.29 0.00 0.00 176.35 177.05 3kw5 s PHE 53 N 0.46 0.08 0.04 5.38 -0.12 -0.89 -0.97 117.98 121.96 3kw5 s PHE 53 Ca -0.15 -0.22 -0.30 0.00 -0.05 0.00 0.00 56.93 56.21 3kw5 s PHE 53 Cb -0.17 -0.07 -0.09 0.00 -0.63 0.00 0.00 43.02 42.06 3kw5 s PHE 53 CO 0.06 -0.29 1.92 -1.25 -0.05 0.00 0.00 175.22 175.61 3kw5 s PRO 54 N -1.58 4.15 -1.23 1.99 0.04 -1.25 -1.85 135.00 135.26 3kw5 s PRO 54 Ca -0.13 2.57 -0.18 0.00 0.04 0.00 0.00 61.00 63.29 3kw5 s PRO 54 Cb -0.07 -4.08 0.08 0.00 0.04 0.00 0.00 34.50 30.47 3kw5 s PRO 54 CO 0.00 -0.93 1.63 -1.17 0.04 0.00 0.00 177.00 176.58 3kw5 s LEU 55 N 4.23 4.00 0.38 -3.56 2.96 -1.23 -4.94 118.68 120.51 3kw5 s LEU 55 Ca 0.86 -2.36 -0.04 0.00 -0.22 0.00 0.00 54.13 52.37 3kw5 s LEU 55 Cb -0.42 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.68 3kw5 s LEU 55 CO 0.40 -1.16 0.64 0.42 -1.32 0.00 0.00 176.35 175.33 3kw5 s THR 56 N 3.92 5.00 0.42 3.68 -4.23 -1.26 -4.99 115.64 118.18 3kw5 s THR 56 Ca 0.51 -0.02 0.14 0.00 -1.18 0.00 0.00 61.69 61.13 3kw5 s THR 56 Cb 0.02 -3.82 0.16 0.00 1.34 0.00 0.00 72.50 70.20 3kw5 s THR 56 CO 0.04 -0.58 1.95 0.00 -0.54 0.00 0.00 174.62 175.48 3kw5 h ALA 57 N 0.88 1.60 -0.45 3.99 0.00 -1.98 -2.10 119.26 121.19 3kw5 h ALA 57 Ca -0.48 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 3kw5 h ALA 57 Cb 1.20 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3kw5 h ALA 57 CO 0.63 0.29 0.22 0.37 0.00 0.00 0.00 179.25 180.76 3kw5 h GLN 58 N 0.00 0.65 -0.25 0.00 5.75 -1.98 -0.84 115.11 118.43 3kw5 h GLN 58 Ca -0.00 -0.10 -0.06 0.00 -0.15 0.00 0.00 58.65 58.34 3kw5 h GLN 58 Cb 0.42 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 3kw5 h GLN 58 CO 0.03 0.56 -0.10 1.25 -2.65 0.00 0.00 178.83 177.92 3kw5 h HIS 59 N 0.59 0.43 -0.00 3.99 2.76 -1.83 -1.65 115.15 119.44 3kw5 h HIS 59 Ca 0.16 -0.06 -0.14 0.00 -2.20 0.00 0.00 60.37 58.13 3kw5 h HIS 59 Cb 0.12 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 28.94 3kw5 h HIS 59 CO -0.01 0.51 -0.66 1.49 -1.30 0.00 0.00 177.93 177.96 3kw5 h GLU 60 N 0.38 0.02 -0.23 5.26 4.57 -1.03 -0.83 114.58 122.72 3kw5 h GLU 60 Ca 0.08 -0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 58.10 3kw5 h GLU 60 Cb 0.42 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 3kw5 h GLU 60 CO 0.02 0.67 -0.43 -0.91 -1.18 0.00 0.00 179.01 177.18 3kw5 h ASN 61 N 0.02 0.62 -0.44 1.04 -0.26 -0.92 -3.16 115.58 112.47 3kw5 h ASN 61 Ca -0.01 -0.29 -0.04 0.00 -0.56 0.00 0.00 56.30 55.41 3kw5 h ASN 61 Cb 1.17 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 38.23 3kw5 h ASN 61 CO 0.09 0.97 0.12 0.15 -1.06 0.00 0.00 177.43 177.70 3kw5 h PHE 62 N 0.47 0.73 -0.91 1.19 3.57 -0.79 -3.04 116.94 118.17 3kw5 h PHE 62 Ca 0.03 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.47 3kw5 h PHE 62 Cb 0.95 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.43 3kw5 h PHE 62 CO 0.04 0.67 0.60 0.00 -2.23 0.00 0.00 178.31 177.39 3kw5 h ARG 63 N 0.58 1.16 -0.38 1.11 2.47 -1.20 0.13 114.38 118.27 3kw5 h ARG 63 Ca 0.14 -0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 58.77 3kw5 h ARG 63 Cb 0.30 -0.26 -0.02 0.00 -1.65 0.00 0.00 29.97 28.34 3kw5 h ARG 63 CO -0.00 0.77 0.15 0.87 0.56 0.00 0.00 179.97 182.32 3kw5 h LYS 64 N 1.20 0.56 0.00 0.04 1.79 -1.51 -1.50 116.57 117.15 3kw5 h LYS 64 Ca 0.35 -0.10 -0.11 0.00 -2.18 0.00 0.00 60.65 58.60 3kw5 h LYS 64 Cb -0.08 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.46 3kw5 h LYS 64 CO -0.09 0.54 -0.54 0.87 -1.08 0.00 0.00 179.45 179.15 3kw5 h LYS 65 N 0.46 0.00 -0.30 3.15 1.79 -1.38 -3.14 116.57 117.15 3kw5 h LYS 65 Ca 0.13 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.49 3kw5 h LYS 65 Cb 0.19 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 3kw5 h LYS 65 CO -0.01 0.54 -0.27 0.37 -1.08 0.00 0.00 179.45 179.00 3kw5 h GLN 66 N 0.00 0.60 0.22 3.15 4.15 -0.43 -2.82 115.11 119.99 3kw5 h GLN 66 Ca -0.01 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.16 3kw5 h GLN 66 Cb 1.00 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.67 3kw5 h GLN 66 CO 0.07 0.81 -0.11 0.82 -1.93 0.00 0.00 178.83 178.50 3kw5 h ILE 67 N 0.53 0.82 0.00 2.39 2.04 -1.23 -2.06 117.51 120.00 3kw5 h ILE 67 Ca 0.07 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3kw5 h ILE 67 Cb 0.73 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3kw5 h ILE 67 CO 0.06 0.06 0.00 -0.62 0.00 0.00 0.00 178.15 177.64 3kw5 n GLU 68 N -5.17 0.73 -0.13 2.37 4.71 -1.21 -2.50 120.64 119.45 3kw5 n GLU 68 Ca -0.09 0.00 -0.27 0.00 -0.01 0.00 0.00 57.16 56.79 3kw5 n GLU 68 Cb 0.18 -1.30 -0.11 0.00 -1.01 0.00 0.00 31.44 29.20 3kw5 n GLU 68 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 3kw5 n GLU 69 N -0.80 0.60 -0.07 3.49 0.00 -1.06 -4.52 120.64 118.28 3kw5 n GLU 69 Ca 0.11 0.32 0.01 0.00 0.00 0.00 0.00 57.16 57.60 3kw5 n GLU 69 Cb 0.05 -1.56 0.32 0.00 0.00 0.00 0.00 31.44 30.24 3kw5 n GLU 69 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3kw5 h LEU 70 N -0.87 0.61 0.00 4.31 4.07 -1.18 -3.45 115.31 118.79 3kw5 h LEU 70 Ca -0.60 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.30 3kw5 h LEU 70 Cb 1.59 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 43.17 3kw5 h LEU 70 CO -0.33 0.53 0.00 0.29 -1.08 0.00 0.00 178.44 177.85 3kw5 n LYS 71 N -4.38 0.00 -2.56 1.13 5.02 -1.04 -1.62 118.16 114.71 3kw5 n LYS 71 Ca 0.04 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.95 3kw5 n LYS 71 Cb 0.13 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.15 3kw5 n LYS 71 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kw5 n GLY 72 N 0.00 5.94 3.73 0.72 0.00 -1.26 -5.04 105.19 109.28 3kw5 n GLY 72 Ca 0.00 -2.61 -0.29 0.00 0.00 0.00 0.00 46.02 43.12 3kw5 n GLY 72 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kw5 s GLN 73 N -4.11 1.19 -0.52 1.61 -2.07 -0.64 -5.00 119.66 110.13 3kw5 s GLN 73 Ca 0.43 0.70 -0.22 0.00 -1.82 0.00 0.00 55.36 54.46 3kw5 s GLN 73 Cb 0.26 -1.81 0.05 0.00 -1.09 0.00 0.00 33.01 30.42 3kw5 s GLN 73 CO -0.18 -2.25 0.77 -2.00 -1.32 0.00 0.00 175.29 170.31 3kw5 s GLU 74 N -4.99 3.24 -0.25 9.60 2.56 -1.26 -5.02 118.70 122.57 3kw5 s GLU 74 Ca 0.63 -0.54 -0.05 0.00 0.00 0.00 0.00 54.97 55.00 3kw5 s GLU 74 Cb -0.17 -4.06 -0.01 0.00 2.00 0.00 0.00 34.13 31.89 3kw5 s GLU 74 CO 0.56 -1.32 0.02 0.08 -0.56 0.00 0.00 175.26 174.05 3kw5 s VAL 75 N 3.26 3.76 0.24 3.70 1.01 -1.26 -4.71 120.40 126.41 3kw5 s VAL 75 Ca 0.23 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 3kw5 s VAL 75 Cb -0.16 -2.81 -0.11 0.00 0.00 0.00 0.00 36.38 33.31 3kw5 s VAL 75 CO 0.16 0.28 1.54 -0.55 0.00 0.00 0.00 175.10 176.54 3kw5 s SER 76 N 1.51 6.52 0.24 3.32 0.15 -1.26 -4.88 113.70 119.29 3kw5 s SER 76 Ca 0.05 2.77 0.22 0.00 0.70 0.00 0.00 55.95 59.69 3kw5 s SER 76 Cb -0.16 -2.62 0.95 0.00 -1.71 0.00 0.00 66.02 62.49 3kw5 s SER 76 CO 0.00 -0.82 1.65 -0.81 1.20 0.00 0.00 173.24 174.46 3kw5 n PRO 77 N 2.76 0.16 0.00 5.44 -0.04 -1.26 -2.24 135.00 139.81 3kw5 n PRO 77 Ca 0.09 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 64.14 3kw5 n PRO 77 Cb 0.38 -1.84 0.66 0.00 -0.04 0.00 0.00 33.50 32.66 3kw5 n PRO 77 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3kw5 n LYS 78 N -2.15 0.27 -2.53 0.54 4.81 -1.26 -4.73 118.16 113.11 3kw5 n LYS 78 Ca 0.01 0.03 -0.42 0.00 -0.87 0.00 0.00 58.31 57.07 3kw5 n LYS 78 Cb 0.18 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 33.70 3kw5 n LYS 78 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3kw5 s VAL 79 N -2.71 4.30 -0.40 3.15 1.01 -0.95 -5.00 120.40 119.80 3kw5 s VAL 79 Ca 0.22 1.69 -0.20 0.00 0.00 0.00 0.00 61.98 63.68 3kw5 s VAL 79 Cb 0.18 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.49 3kw5 s VAL 79 CO 0.44 0.15 0.62 -0.47 0.00 0.00 0.00 175.10 175.84 3kw5 s TYR 80 N 0.88 3.11 -0.03 5.22 6.14 -1.26 -5.04 117.35 126.36 3kw5 s TYR 80 Ca 0.55 0.11 0.03 0.00 0.64 0.00 0.00 57.07 58.40 3kw5 s TYR 80 Cb -0.27 -3.21 0.00 0.00 0.42 0.00 0.00 41.96 38.90 3kw5 s TYR 80 CO 0.29 -0.74 -0.13 0.12 0.64 0.00 0.00 175.55 175.74 3kw5 s PHE 81 N 2.71 1.32 0.04 4.97 5.36 -1.26 -4.86 117.98 126.26 3kw5 s PHE 81 Ca 0.22 -0.36 0.03 0.00 -0.96 0.00 0.00 56.93 55.87 3kw5 s PHE 81 Cb -0.14 -0.91 -0.02 0.00 -0.34 0.00 0.00 43.02 41.60 3kw5 s PHE 81 CO 0.17 -0.13 -0.10 0.00 -1.46 0.00 0.00 175.22 173.69 3kw5 s MET 82 N 0.13 0.68 0.62 10.12 0.23 -1.26 -3.84 119.30 125.97 3kw5 s MET 82 Ca -0.04 -0.74 -0.07 0.00 -1.03 0.00 0.00 55.69 53.82 3kw5 s MET 82 Cb -0.10 -0.58 0.02 0.00 -1.53 0.00 0.00 34.83 32.63 3kw5 s MET 82 CO 0.01 0.13 0.94 0.15 -2.03 0.00 0.00 175.02 174.22 3kw5 s LYS 83 N -1.36 2.82 -0.25 3.16 1.02 -1.10 -4.35 119.74 119.68 3kw5 s LYS 83 Ca -0.04 0.01 -0.07 0.00 0.02 0.00 0.00 55.97 55.90 3kw5 s LYS 83 Cb -0.09 -2.23 -0.02 0.00 -0.52 0.00 0.00 37.83 34.97 3kw5 s LYS 83 CO 0.01 -0.81 0.05 -1.14 -0.92 0.00 0.00 175.35 172.54 3kw5 s GLN 84 N -5.07 3.56 -0.00 1.68 0.74 0.14 -4.56 119.66 116.15 3kw5 s GLN 84 Ca 0.55 -0.53 0.04 0.00 0.05 0.00 0.00 55.36 55.46 3kw5 s GLN 84 Cb -0.11 -3.26 -0.05 0.00 1.10 0.00 0.00 33.01 30.69 3kw5 s GLN 84 CO 0.46 -0.21 0.09 0.25 -0.55 0.00 0.00 175.29 175.33 3kw5 n THR 85 N 4.89 0.00 -3.93 -0.34 -2.24 -1.26 -4.77 114.28 106.63 3kw5 n THR 85 Ca -0.16 -0.16 -0.35 0.00 -2.27 0.00 0.00 64.05 61.11 3kw5 n THR 85 Cb 0.51 0.55 -0.09 0.00 -2.10 0.00 0.00 70.33 69.20 3kw5 n THR 85 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3kw5 s ILE 86 N -2.03 4.98 0.52 2.28 1.01 -1.26 -5.05 121.20 121.64 3kw5 s ILE 86 Ca -0.01 0.03 -0.21 0.00 0.00 0.00 0.00 60.65 60.46 3kw5 s ILE 86 Cb 0.02 -3.25 -0.06 0.00 0.01 0.00 0.00 42.46 39.19 3kw5 s ILE 86 CO 0.15 0.46 1.21 -0.83 0.00 0.00 0.00 174.94 175.93 3kw5 s GLY 87 N 0.30 2.78 0.00 6.18 0.00 -1.26 -2.94 107.32 112.38 3kw5 s GLY 87 Ca 0.05 1.03 0.00 0.00 0.00 0.00 0.00 44.72 45.80 3kw5 s GLY 87 CO -0.00 1.47 0.00 0.70 0.00 0.00 0.00 173.10 175.27 3kw5 n ASN 88 N -0.96 -3.82 -0.30 1.64 3.02 -1.26 -0.49 115.26 113.09 3kw5 n ASN 88 Ca 0.10 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.78 3kw5 n ASN 88 Cb 0.48 -2.38 0.35 0.00 -0.61 0.00 0.00 39.78 37.62 3kw5 n ASN 88 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3kw5 n SER 89 N -0.52 1.20 -0.25 6.41 3.41 -1.15 -4.40 113.62 118.31 3kw5 n SER 89 Ca 0.00 -1.03 0.18 0.00 -0.26 0.00 0.00 58.87 57.76 3kw5 n SER 89 Cb 0.26 0.16 0.49 0.00 -0.26 0.00 0.00 64.21 64.86 3kw5 n SER 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kw5 h GLY 91 N 0.46 0.22 1.41 0.00 0.00 -1.91 0.15 103.07 103.40 3kw5 h GLY 91 Ca 0.47 -0.09 -0.16 0.00 0.00 0.00 0.00 47.33 47.56 3kw5 h GLY 91 CO -0.19 0.08 -0.50 -0.84 0.00 0.00 0.00 176.54 175.09 3kw5 h THR 92 N 0.19 1.31 -0.41 4.70 2.02 -1.67 -2.22 112.91 116.82 3kw5 h THR 92 Ca 0.05 -1.72 0.03 0.00 0.77 0.00 0.00 66.41 65.54 3kw5 h THR 92 Cb 0.00 1.67 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 3kw5 h THR 92 CO -0.01 0.54 0.22 0.40 0.37 0.00 0.00 175.52 177.04 3kw5 h ILE 93 N 0.50 1.00 -0.77 3.11 1.08 -1.08 0.31 117.51 121.65 3kw5 h ILE 93 Ca 0.02 -0.15 0.05 0.00 -0.39 0.00 0.00 64.86 64.39 3kw5 h ILE 93 Cb 1.05 0.52 -0.05 0.00 -3.07 0.00 0.00 36.82 35.27 3kw5 h ILE 93 CO 0.10 0.08 0.48 1.23 -0.69 0.00 0.00 178.15 179.35 3kw5 h GLY 94 N 0.44 1.14 1.07 5.37 0.00 -0.63 0.61 103.07 111.07 3kw5 h GLY 94 Ca 0.17 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 3kw5 h GLY 94 CO -0.10 0.26 0.04 1.41 0.00 0.00 0.00 176.54 178.15 3kw5 h LEU 95 N 0.90 1.03 -0.54 3.11 4.07 -0.74 -0.00 115.31 123.13 3kw5 h LEU 95 Ca 0.33 -0.29 -0.04 0.00 0.08 0.00 0.00 57.88 57.96 3kw5 h LEU 95 Cb 0.11 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.55 3kw5 h LEU 95 CO -0.15 1.06 0.20 0.40 -1.08 0.00 0.00 178.44 178.87 3kw5 h ILE 96 N 0.96 1.22 0.00 1.22 2.04 -0.01 0.05 117.51 123.00 3kw5 h ILE 96 Ca 0.18 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 3kw5 h ILE 96 Cb 0.51 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3kw5 h ILE 96 CO 0.02 0.27 -0.15 0.45 0.00 0.00 0.00 178.15 178.75 3kw5 h HIS 97 N 0.73 0.00 -0.06 1.37 3.86 -0.68 0.17 115.15 120.54 3kw5 h HIS 97 Ca 0.18 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.27 3kw5 h HIS 97 Cb 0.23 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.71 3kw5 h HIS 97 CO 0.01 0.15 -0.41 0.00 0.86 0.00 0.00 177.93 178.54 3kw5 h ALA 98 N 1.85 0.13 0.01 2.45 0.00 -0.21 -3.22 119.26 120.27 3kw5 h ALA 98 Ca -0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.32 3kw5 h ALA 98 Cb 0.28 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.08 3kw5 h ALA 98 CO 0.02 0.26 -0.42 0.28 0.00 0.00 0.00 179.25 179.39 3kw5 h VAL 99 N -0.11 1.51 -0.07 0.00 2.07 -0.82 -3.29 116.25 115.54 3kw5 h VAL 99 Ca -0.03 -2.06 -0.05 0.00 0.82 0.00 0.00 66.70 65.38 3kw5 h VAL 99 Cb 1.08 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 33.60 3kw5 h VAL 99 CO 0.08 0.58 -0.17 0.00 0.02 0.00 0.00 177.57 178.08 3kw5 h ALA 100 N 0.26 1.59 -0.52 1.67 0.00 -1.12 -2.09 119.26 119.05 3kw5 h ALA 100 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3kw5 h ALA 100 Cb 1.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3kw5 h ALA 100 CO 0.08 0.30 0.00 0.09 0.00 0.00 0.00 179.25 179.72 3kw5 n ASN 101 N -4.29 4.23 -1.31 0.00 3.02 -1.22 -4.10 115.26 111.60 3kw5 n ASN 101 Ca -0.02 -2.47 0.01 0.00 -0.03 0.00 0.00 54.58 52.08 3kw5 n ASN 101 Cb 0.27 -0.56 -0.00 0.00 -0.61 0.00 0.00 39.78 38.88 3kw5 n ASN 101 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kw5 n ASN 102 N 0.80 0.46 0.25 6.41 3.02 -0.81 -4.90 115.26 120.49 3kw5 n ASN 102 Ca 0.22 -1.98 0.17 0.00 -0.03 0.00 0.00 54.58 52.95 3kw5 n ASN 102 Cb 0.83 -0.15 0.77 0.00 -0.61 0.00 0.00 39.78 40.61 3kw5 n ASN 102 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3kw5 h GLN 103 N 0.69 0.00 0.00 3.52 4.20 -1.65 0.90 115.11 122.77 3kw5 h GLN 103 Ca -0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.42 3kw5 h GLN 103 Cb 1.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.52 3kw5 h GLN 103 CO 0.00 0.00 0.00 0.38 -0.67 0.00 0.00 178.83 178.54 3kw5 h ASP 104 N 0.00 0.00 0.00 1.46 -0.00 -1.90 -3.34 116.42 112.64 3kw5 h ASP 104 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.03 56.86 3kw5 h ASP 104 Cb 0.30 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 39.60 3kw5 h ASP 104 CO 0.00 0.00 -1.59 0.29 -0.00 0.00 0.00 179.24 177.94 3kw5 n LYS 105 N -2.81 0.24 -2.84 4.15 5.02 0.04 -5.04 118.16 116.92 3kw5 n LYS 105 Ca 0.01 0.08 -0.39 0.00 -2.02 0.00 0.00 58.31 55.99 3kw5 n LYS 105 Cb 0.25 -1.02 -0.06 0.00 -0.02 0.00 0.00 35.03 34.18 3kw5 n LYS 105 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kw5 s LEU 106 N -6.15 4.55 0.51 -0.35 1.02 0.09 -4.99 118.68 113.36 3kw5 s LEU 106 Ca -0.14 1.82 0.07 0.00 0.02 0.00 0.00 54.13 55.89 3kw5 s LEU 106 Cb 0.05 -3.61 0.04 0.00 0.02 0.00 0.00 46.19 42.69 3kw5 s LEU 106 CO 0.21 0.12 0.70 -0.83 0.02 0.00 0.00 176.35 176.57 3kw5 s GLY 107 N -1.29 1.85 0.01 -3.19 0.00 -1.07 -4.72 107.32 98.91 3kw5 s GLY 107 Ca 0.42 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 43.39 3kw5 s GLY 107 CO 0.28 -1.44 -0.02 -1.36 0.00 0.00 0.00 173.10 170.57 3kw5 s PHE 108 N -2.58 0.14 0.79 1.90 0.08 -1.26 -1.63 117.98 115.42 3kw5 s PHE 108 Ca 0.58 -0.13 -0.12 0.00 0.12 0.00 0.00 56.93 57.38 3kw5 s PHE 108 Cb -0.08 -0.10 0.06 0.00 -0.57 0.00 0.00 43.02 42.33 3kw5 s PHE 108 CO 0.37 -0.04 1.13 -1.83 -0.10 0.00 0.00 175.22 174.74 3kw5 s GLU 109 N -0.36 2.16 -0.09 0.44 -1.05 -0.07 -4.77 118.70 114.96 3kw5 s GLU 109 Ca -0.03 0.38 -0.30 0.00 -0.15 0.00 0.00 54.97 54.87 3kw5 s GLU 109 Cb -0.03 -1.95 -0.02 0.00 -0.44 0.00 0.00 34.13 31.69 3kw5 s GLU 109 CO -0.00 -1.51 1.12 -0.51 0.95 0.00 0.00 175.26 175.31 3kw5 s ASP 110 N -4.26 7.12 0.00 0.83 1.11 -1.26 -3.00 116.67 117.21 3kw5 s ASP 110 Ca 0.61 1.68 0.00 0.00 0.18 0.00 0.00 52.55 55.01 3kw5 s ASP 110 Cb -0.12 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.31 3kw5 s ASP 110 CO 0.52 -0.55 0.00 0.61 1.18 0.00 0.00 175.17 176.93 3kw5 n GLY 111 N 3.27 0.52 3.69 0.21 0.00 -1.26 -5.02 105.19 106.60 3kw5 n GLY 111 Ca 0.10 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 3kw5 n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kw5 s SER 112 N -2.94 7.00 0.16 1.61 0.15 -1.16 -4.94 113.70 113.57 3kw5 s SER 112 Ca 0.00 1.93 -0.14 0.00 0.70 0.00 0.00 55.95 58.44 3kw5 s SER 112 Cb 0.00 -2.56 0.04 0.00 -1.71 0.00 0.00 66.02 61.79 3kw5 s SER 112 CO 0.00 -0.60 1.71 0.58 1.20 0.00 0.00 173.24 176.13 3kw5 h VAL 113 N 4.90 1.21 -0.31 4.45 2.07 -1.12 -2.80 116.25 124.66 3kw5 h VAL 113 Ca -0.36 -0.65 -0.14 0.00 0.82 0.00 0.00 66.70 66.36 3kw5 h VAL 113 Cb 1.17 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3kw5 h VAL 113 CO 0.87 0.25 -0.39 0.25 0.02 0.00 0.00 177.57 178.57 3kw5 h LEU 114 N 0.68 0.77 -0.81 2.57 5.85 -1.86 -3.06 115.31 119.46 3kw5 h LEU 114 Ca 0.17 -0.35 0.08 0.00 0.84 0.00 0.00 57.88 58.62 3kw5 h LEU 114 Cb 0.19 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.94 3kw5 h LEU 114 CO -0.01 1.07 0.48 0.50 -0.34 0.00 0.00 178.44 180.13 3kw5 h LYS 115 N 0.60 0.81 -0.64 1.25 3.64 -1.76 -1.04 116.57 119.44 3kw5 h LYS 115 Ca 0.05 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3kw5 h LYS 115 Cb 0.93 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 3kw5 h LYS 115 CO 0.08 0.54 0.40 0.37 -2.27 0.00 0.00 179.45 178.58 3kw5 h GLN 116 N 0.84 0.78 0.41 1.90 5.75 -1.45 -2.43 115.11 120.90 3kw5 h GLN 116 Ca 0.37 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.81 3kw5 h GLN 116 Cb 0.27 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.64 3kw5 h GLN 116 CO -0.21 0.51 -0.19 0.35 -2.65 0.00 0.00 178.83 176.64 3kw5 h PHE 117 N 0.80 -0.51 -0.51 3.99 3.57 -1.12 -0.98 116.94 122.19 3kw5 h PHE 117 Ca 0.25 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 3kw5 h PHE 117 Cb -0.01 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3kw5 h PHE 117 CO -0.04 -0.27 0.07 -0.07 -2.23 0.00 0.00 178.31 175.76 3kw5 h LEU 118 N -0.62 0.76 -1.02 0.59 3.38 -1.37 0.48 115.31 117.51 3kw5 h LEU 118 Ca -0.06 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 3kw5 h LEU 118 Cb 0.46 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3kw5 h LEU 118 CO 0.09 0.78 -0.09 -1.28 0.09 0.00 0.00 178.44 178.03 3kw5 h SER 119 N 0.76 0.58 0.12 -0.43 0.87 -1.36 -1.48 113.55 112.62 3kw5 h SER 119 Ca 0.16 -0.15 -0.21 0.00 -1.23 0.00 0.00 61.79 60.36 3kw5 h SER 119 Cb 0.36 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 3kw5 h SER 119 CO 0.01 0.72 -0.81 -0.33 -0.53 0.00 0.00 176.83 175.89 3kw5 h GLU 120 N 0.56 0.55 -0.28 2.24 5.08 -0.30 -3.35 114.58 119.09 3kw5 h GLU 120 Ca 0.10 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3kw5 h GLU 120 Cb 0.49 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3kw5 h GLU 120 CO 0.03 1.11 0.00 0.25 -1.00 0.00 0.00 179.01 179.40 3kw5 n THR 121 N -3.85 0.37 -0.14 1.13 -2.24 0.08 -4.57 114.28 105.05 3kw5 n THR 121 Ca -0.06 -0.69 -0.04 0.00 -2.27 0.00 0.00 64.05 60.99 3kw5 n THR 121 Cb 0.76 1.10 0.05 0.00 -2.10 0.00 0.00 70.33 70.14 3kw5 n THR 121 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3kw5 h GLU 122 N 4.24 0.31 0.00 -0.78 4.81 -1.41 -2.20 114.58 119.55 3kw5 h GLU 122 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3kw5 h GLU 122 Cb 0.94 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.25 3kw5 h GLU 122 CO 0.00 0.20 0.00 1.57 -0.73 0.00 0.00 179.01 180.05 3kw5 h LYS 123 N 0.31 0.00 -7.56 1.92 2.10 -1.87 -3.47 116.57 108.00 3kw5 h LYS 123 Ca 0.22 0.00 -0.46 0.00 -2.00 0.00 0.00 60.65 58.41 3kw5 h LYS 123 Cb 0.23 0.00 0.13 0.00 -0.90 0.00 0.00 32.23 31.69 3kw5 h LYS 123 CO -0.23 0.00 0.34 -1.64 -2.00 0.00 0.00 179.45 175.92 3kw5 s MET 124 N -3.28 1.29 0.38 0.07 -1.94 -0.83 -5.08 119.30 109.90 3kw5 s MET 124 Ca 0.07 0.16 -0.01 0.00 -1.71 0.00 0.00 55.69 54.19 3kw5 s MET 124 Cb 0.08 -1.87 -0.04 0.00 2.01 0.00 0.00 34.83 35.01 3kw5 s MET 124 CO 0.61 -2.07 0.61 -1.54 -0.01 0.00 0.00 175.02 172.61 3kw5 s SER 125 N -4.27 6.30 0.35 3.03 1.04 -1.26 -4.90 113.70 113.99 3kw5 s SER 125 Ca 0.64 0.59 0.10 0.00 0.48 0.00 0.00 55.95 57.77 3kw5 s SER 125 Cb -0.12 -2.10 0.87 0.00 0.10 0.00 0.00 66.02 64.77 3kw5 s SER 125 CO 0.52 -0.36 1.82 -0.65 0.98 0.00 0.00 173.24 175.56 3kw5 h PRO 126 N 0.70 0.62 -0.21 4.02 0.11 -1.97 0.23 132.00 135.49 3kw5 h PRO 126 Ca -0.49 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 3kw5 h PRO 126 Cb 1.21 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3kw5 h PRO 126 CO 0.62 0.41 -0.21 0.93 -0.21 0.00 0.00 178.00 179.54 3kw5 h GLU 127 N 0.64 0.51 -0.20 1.05 3.07 -1.95 -2.66 114.58 115.04 3kw5 h GLU 127 Ca 0.51 -0.27 -0.06 0.00 -0.50 0.00 0.00 59.36 59.05 3kw5 h GLU 127 Cb 0.95 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.85 3kw5 h GLU 127 CO -0.27 0.85 -0.13 -0.44 -1.40 0.00 0.00 179.01 177.62 3kw5 h ASP 128 N 0.19 0.31 -0.02 1.42 5.19 -1.69 -2.76 116.42 119.06 3kw5 h ASP 128 Ca 0.03 -0.07 -0.10 0.00 -0.62 0.00 0.00 57.03 56.27 3kw5 h ASP 128 Cb 0.76 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.17 3kw5 h ASP 128 CO 0.05 0.47 -0.28 0.03 -3.12 0.00 0.00 179.24 176.39 3kw5 h ARG 129 N 0.30 0.45 -0.20 3.56 3.08 -0.53 -2.82 114.38 118.22 3kw5 h ARG 129 Ca 0.06 -0.18 -0.14 0.00 0.07 0.00 0.00 59.98 59.80 3kw5 h ARG 129 Cb 0.42 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3kw5 h ARG 129 CO 0.02 0.69 -0.45 0.00 -1.07 0.00 0.00 179.97 179.17 3kw5 h ALA 130 N 1.31 0.84 -0.65 0.04 0.00 -1.21 -2.71 119.26 116.87 3kw5 h ALA 130 Ca 0.06 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 3kw5 h ALA 130 Cb 0.70 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3kw5 h ALA 130 CO 0.05 0.65 0.22 0.87 0.00 0.00 0.00 179.25 181.05 3kw5 h LYS 131 N 0.41 0.98 -0.53 0.00 1.57 -1.30 -2.05 116.57 115.65 3kw5 h LYS 131 Ca 0.03 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.52 3kw5 h LYS 131 Cb 0.95 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 3kw5 h LYS 131 CO 0.08 0.83 -0.08 0.00 -0.57 0.00 0.00 179.45 179.71 3kw5 h PHE 133 N 0.87 0.59 -0.56 0.00 3.57 -1.15 -2.48 116.94 117.77 3kw5 h PHE 133 Ca 0.14 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.66 3kw5 h PHE 133 Cb 0.62 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 3kw5 h PHE 133 CO 0.04 0.38 0.37 0.93 -2.23 0.00 0.00 178.31 177.80 3kw5 h GLU 134 N 0.62 0.72 -0.75 1.11 5.08 -1.31 -1.66 114.58 118.40 3kw5 h GLU 134 Ca 0.17 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3kw5 h GLU 134 Cb -0.06 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 3kw5 h GLU 134 CO -0.04 0.48 0.00 1.63 -1.00 0.00 0.00 179.01 180.08 3kw5 n LYS 135 N -4.45 3.40 -3.95 2.33 5.02 -0.97 -4.68 118.16 114.86 3kw5 n LYS 135 Ca 0.05 -1.95 -0.31 0.00 -2.02 0.00 0.00 58.31 54.09 3kw5 n LYS 135 Cb 0.06 -1.98 -0.14 0.00 -0.02 0.00 0.00 35.03 32.95 3kw5 n LYS 135 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3kw5 s ASN 136 N -0.48 4.58 0.15 4.39 3.84 -0.63 -4.95 114.94 121.84 3kw5 s ASN 136 Ca 0.34 -2.64 -0.09 0.00 0.21 0.00 0.00 52.86 50.67 3kw5 s ASN 136 Cb 0.26 -1.66 -0.02 0.00 -0.55 0.00 0.00 41.25 39.28 3kw5 s ASN 136 CO 0.10 -0.31 1.46 -0.33 -2.79 0.00 0.00 177.10 175.23 3kw5 h GLU 137 N 7.01 0.83 -0.54 0.43 4.39 -1.83 -2.98 114.58 121.90 3kw5 h GLU 137 Ca -0.06 -0.49 0.08 0.00 0.34 0.00 0.00 59.36 59.22 3kw5 h GLU 137 Cb 0.95 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.58 3kw5 h GLU 137 CO 0.63 1.13 0.19 0.00 -1.16 0.00 0.00 179.01 179.80 3kw5 h ALA 138 N 0.79 0.67 -0.22 3.43 0.00 -1.96 0.64 119.26 122.59 3kw5 h ALA 138 Ca 0.03 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3kw5 h ALA 138 Cb 1.07 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3kw5 h ALA 138 CO 0.11 -0.21 -0.27 0.82 0.00 0.00 0.00 179.25 179.70 3kw5 h ILE 139 N 0.37 1.32 -0.94 0.00 2.04 -1.95 -2.25 117.51 116.10 3kw5 h ILE 139 Ca 0.26 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.67 3kw5 h ILE 139 Cb 0.30 1.74 -0.05 0.00 -0.74 0.00 0.00 36.82 38.07 3kw5 h ILE 139 CO -0.27 0.45 0.61 1.56 0.00 0.00 0.00 178.15 180.50 3kw5 h GLN 140 N 0.27 1.25 -0.19 2.37 4.20 -1.18 -1.39 115.11 120.43 3kw5 h GLN 140 Ca 0.03 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.51 3kw5 h GLN 140 Cb 0.84 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 3kw5 h GLN 140 CO 0.06 0.84 -0.49 0.00 -0.67 0.00 0.00 178.83 178.58 3kw5 h ALA 141 N 1.39 0.79 -0.50 3.87 0.00 0.23 -2.46 119.26 122.57 3kw5 h ALA 141 Ca 0.34 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3kw5 h ALA 141 Cb -0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3kw5 h ALA 141 CO -0.07 0.67 0.08 0.00 0.00 0.00 0.00 179.25 179.92 3kw5 h ALA 142 N 1.06 1.19 -0.20 0.00 0.00 -0.81 0.89 119.26 121.40 3kw5 h ALA 142 Ca 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3kw5 h ALA 142 Cb 1.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3kw5 h ALA 142 CO 0.09 0.54 0.04 1.25 0.00 0.00 0.00 179.25 181.18 3kw5 h HIS 143 N 0.76 0.33 0.00 0.00 6.17 -1.16 -3.22 115.15 118.03 3kw5 h HIS 143 Ca 0.16 -0.04 -0.14 0.00 0.71 0.00 0.00 60.37 61.06 3kw5 h HIS 143 Cb 0.35 -0.09 -0.02 0.00 2.52 0.00 0.00 27.41 30.17 3kw5 h HIS 143 CO 0.02 0.44 -0.67 -0.44 0.71 0.00 0.00 177.93 177.99 3kw5 h ASP 144 N 0.13 0.00 -0.77 3.26 3.45 -1.19 -1.26 116.42 120.04 3kw5 h ASP 144 Ca 0.06 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.49 3kw5 h ASP 144 Cb 0.28 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.01 3kw5 h ASP 144 CO 0.00 0.67 0.36 0.00 -1.57 0.00 0.00 179.24 178.70 3kw5 h ALA 145 N 1.33 1.16 0.00 3.45 0.00 -0.87 -2.75 119.26 121.57 3kw5 h ALA 145 Ca -0.01 -0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.52 3kw5 h ALA 145 Cb 1.22 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3kw5 h ALA 145 CO 0.09 0.63 -1.30 0.28 0.00 0.00 0.00 179.25 178.95 3kw5 h VAL 146 N 1.12 1.03 0.28 0.00 2.07 -1.56 -3.37 116.25 115.83 3kw5 h VAL 146 Ca 0.27 -2.71 -0.01 0.00 0.82 0.00 0.00 66.70 65.06 3kw5 h VAL 146 Cb 0.14 2.47 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 3kw5 h VAL 146 CO -0.03 0.59 -0.17 0.00 0.02 0.00 0.00 177.57 177.98 3kw5 h ALA 147 N 1.14 -0.42 0.00 1.67 0.00 -0.92 -2.60 119.26 118.13 3kw5 h ALA 147 Ca -0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3kw5 h ALA 147 Cb 1.78 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.77 3kw5 h ALA 147 CO 0.09 -0.74 0.00 -0.56 0.00 0.00 0.00 179.25 178.03 3kw5 h GLN 148 N -0.43 0.00 0.00 0.00 -0.00 -1.76 -2.72 115.11 110.20 3kw5 h GLN 148 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 3kw5 h GLN 148 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.83 3kw5 h GLN 148 CO 0.04 0.00 0.00 1.49 -0.00 0.00 0.00 178.83 180.36 3kw5 h GLU 149 N 0.00 0.00 0.00 0.06 4.22 -1.62 -3.32 114.58 113.92 3kw5 h GLU 149 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3kw5 h GLU 149 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3kw5 h GLU 149 CO 0.00 0.00 0.00 0.41 -2.18 0.00 0.00 179.01 177.24 3kw5 n GLY 150 N -0.89 -0.90 3.70 1.92 0.00 -1.02 -5.06 105.19 102.95 3kw5 n GLY 150 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 3kw5 n GLY 150 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kw5 s GLN 151 N -0.80 1.75 -0.38 1.61 1.03 -1.25 -5.11 119.66 116.51 3kw5 s GLN 151 Ca 0.00 -1.23 0.01 0.00 0.04 0.00 0.00 55.36 54.18 3kw5 s GLN 151 Cb 0.00 0.54 0.12 0.00 0.03 0.00 0.00 33.01 33.70 3kw5 s GLN 151 CO 0.00 -0.77 0.17 0.00 -2.54 0.00 0.00 175.29 172.15 3kw5 s ARG 153 N 0.90 3.51 0.23 0.00 1.81 -1.26 -4.98 118.95 119.16 3kw5 s ARG 153 Ca 0.14 -0.17 0.26 0.00 -1.72 0.00 0.00 55.73 54.24 3kw5 s ARG 153 Cb -0.21 -2.59 0.81 0.00 -0.45 0.00 0.00 34.95 32.51 3kw5 s ARG 153 CO -0.10 0.06 1.76 -0.24 -0.68 0.00 0.00 175.30 176.11 3kw5 h VAL 154 N 0.66 0.00 -0.56 3.52 3.04 -2.06 -3.32 116.25 117.54 3kw5 h VAL 154 Ca -0.49 -0.48 0.09 0.00 -1.01 0.00 0.00 66.70 64.81 3kw5 h VAL 154 Cb 1.21 1.45 -0.10 0.00 -2.01 0.00 0.00 31.29 31.84 3kw5 h VAL 154 CO 0.62 0.00 -0.44 -0.78 -1.01 0.00 0.00 177.57 175.96 3kw5 h ASP 155 N 0.00 -1.49 0.00 3.17 3.58 -1.97 -3.43 116.42 116.27 3kw5 h ASP 155 Ca 0.00 0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.69 3kw5 h ASP 155 Cb 0.71 0.67 0.00 0.00 1.72 0.00 0.00 39.33 42.44 3kw5 h ASP 155 CO 0.00 -0.34 0.00 -0.67 -2.88 0.00 0.00 179.24 175.35 3kw5 n ASP 156 N -5.41 0.00 -0.01 2.28 2.03 -1.25 -3.59 116.55 110.60 3kw5 n ASP 156 Ca 0.01 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.32 3kw5 n ASP 156 Cb 0.35 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.75 3kw5 n ASP 156 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 3kw5 h LYS 157 N 0.00 0.00 -5.28 -0.67 3.11 -1.96 -3.48 116.57 108.29 3kw5 h LYS 157 Ca 0.00 0.00 -0.70 0.00 -2.81 0.00 0.00 60.65 57.14 3kw5 h LYS 157 Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.20 3kw5 h LYS 157 CO 0.00 0.00 1.05 0.28 -2.81 0.00 0.00 179.45 177.97 3kw5 n VAL 158 N -2.69 0.00 -3.82 2.00 0.31 -1.24 -4.91 118.33 107.98 3kw5 n VAL 158 Ca -0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.00 3kw5 n VAL 158 Cb 0.04 -0.44 -0.04 0.00 -0.91 0.00 0.00 33.84 32.49 3kw5 n VAL 158 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3kw5 s ASN 159 N 4.74 6.42 0.34 4.52 0.01 -1.26 -5.07 114.94 124.64 3kw5 s ASN 159 Ca 1.03 0.41 0.04 0.00 -0.71 0.00 0.00 52.86 53.62 3kw5 s ASN 159 Cb -1.32 -2.02 -0.05 0.00 0.41 0.00 0.00 41.25 38.27 3kw5 s ASN 159 CO 0.61 0.13 0.07 -0.36 -1.51 0.00 0.00 177.10 176.04 3kw5 s PHE 160 N -1.56 1.90 -0.02 2.20 0.08 -1.26 -3.57 117.98 115.75 3kw5 s PHE 160 Ca 0.37 -1.04 0.01 0.00 0.12 0.00 0.00 56.93 56.39 3kw5 s PHE 160 Cb -0.13 -1.24 0.01 0.00 -0.57 0.00 0.00 43.02 41.09 3kw5 s PHE 160 CO 0.26 -0.07 -0.04 -1.58 -0.10 0.00 0.00 175.22 173.69 3kw5 s HIS 161 N -3.30 0.49 0.01 0.36 5.65 -0.77 -4.87 115.29 112.86 3kw5 s HIS 161 Ca 0.33 -0.09 -0.19 0.00 0.25 0.00 0.00 55.06 55.36 3kw5 s HIS 161 Cb 0.07 -0.41 -0.06 0.00 -1.18 0.00 0.00 32.58 31.00 3kw5 s HIS 161 CO 0.15 -0.08 0.53 -0.06 -0.65 0.00 0.00 174.74 174.63 3kw5 s PHE 162 N 0.42 3.71 0.02 3.88 0.40 -1.26 -2.11 117.98 123.05 3kw5 s PHE 162 Ca -0.05 1.14 0.00 0.00 -0.60 0.00 0.00 56.93 57.43 3kw5 s PHE 162 Cb -0.08 -2.50 -0.02 0.00 0.51 0.00 0.00 43.02 40.93 3kw5 s PHE 162 CO -0.00 0.47 -0.04 0.96 0.70 0.00 0.00 175.22 177.31 3kw5 s ILE 163 N -0.58 0.18 -0.12 0.64 -4.36 0.56 -4.82 121.20 112.69 3kw5 s ILE 163 Ca 0.28 -0.94 0.03 0.00 -0.26 0.00 0.00 60.65 59.76 3kw5 s ILE 163 Cb -0.18 -0.32 0.00 0.00 1.25 0.00 0.00 42.46 43.22 3kw5 s ILE 163 CO 0.16 -0.48 -0.22 -0.22 0.24 0.00 0.00 174.94 174.42 3kw5 s LEU 164 N -1.48 2.13 -0.20 0.37 2.96 -0.95 0.09 118.68 121.60 3kw5 s LEU 164 Ca -0.15 -0.58 -0.12 0.00 -0.22 0.00 0.00 54.13 53.06 3kw5 s LEU 164 Cb -0.10 -1.44 -0.05 0.00 0.50 0.00 0.00 46.19 45.10 3kw5 s LEU 164 CO -0.01 0.11 0.24 -0.36 -1.32 0.00 0.00 176.35 175.02 3kw5 s PHE 165 N 0.62 3.39 -0.02 5.38 0.40 0.84 -0.03 117.98 128.54 3kw5 s PHE 165 Ca -0.12 0.43 -0.03 0.00 -0.60 0.00 0.00 56.93 56.62 3kw5 s PHE 165 Cb -0.17 -2.32 0.00 0.00 0.51 0.00 0.00 43.02 41.05 3kw5 s PHE 165 CO 0.03 0.14 0.07 1.21 0.70 0.00 0.00 175.22 177.37 3kw5 s ASN 166 N 0.76 -0.04 -0.22 1.36 2.47 -0.10 -1.42 114.94 117.74 3kw5 s ASN 166 Ca 0.13 0.06 -0.25 0.00 0.42 0.00 0.00 52.86 53.22 3kw5 s ASN 166 Cb -0.13 0.15 -0.01 0.00 -1.45 0.00 0.00 41.25 39.81 3kw5 s ASN 166 CO 0.04 -0.08 0.83 0.21 -3.72 0.00 0.00 177.10 174.38 3kw5 s ASN 167 N -0.22 6.86 -0.08 -4.21 3.84 -1.26 0.14 114.94 120.01 3kw5 s ASN 167 Ca -0.03 1.07 0.00 0.00 0.21 0.00 0.00 52.86 54.12 3kw5 s ASN 167 Cb -0.02 -2.44 0.02 0.00 -0.55 0.00 0.00 41.25 38.26 3kw5 s ASN 167 CO 0.00 -0.49 -0.06 -0.69 -2.79 0.00 0.00 177.10 173.07 3kw5 s VAL 168 N 2.68 0.80 -1.76 -5.21 1.01 0.92 -4.84 120.40 114.00 3kw5 s VAL 168 Ca 0.36 -0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.14 3kw5 s VAL 168 Cb -0.16 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.39 3kw5 s VAL 168 CO 0.08 0.31 0.05 -0.67 0.00 0.00 0.00 175.10 174.87 3kw5 n ASP 169 N 4.63 -5.92 0.00 3.32 -0.08 -1.26 -1.41 116.55 115.82 3kw5 n ASP 169 Ca -0.15 -0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.09 3kw5 n ASP 169 Cb 0.50 -4.91 0.00 0.00 2.34 0.00 0.00 41.12 39.05 3kw5 n ASP 169 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3kw5 n GLY 170 N -1.06 0.55 3.20 0.27 0.00 -1.26 -5.05 105.19 101.84 3kw5 n GLY 170 Ca -0.24 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 3kw5 n GLY 170 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kw5 s HIS 171 N -2.00 1.60 -0.10 1.61 3.76 -0.50 -1.00 115.29 118.66 3kw5 s HIS 171 Ca 0.00 -0.35 -0.30 0.00 -0.15 0.00 0.00 55.06 54.27 3kw5 s HIS 171 Cb 0.00 -0.97 -0.01 0.00 1.11 0.00 0.00 32.58 32.71 3kw5 s HIS 171 CO 0.00 0.05 1.02 -1.17 -0.85 0.00 0.00 174.74 173.79 3kw5 s LEU 172 N -0.98 4.25 -0.12 0.89 2.96 -1.04 -0.05 118.68 124.59 3kw5 s LEU 172 Ca 0.06 1.55 0.03 0.00 -0.22 0.00 0.00 54.13 55.55 3kw5 s LEU 172 Cb -0.08 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 43.06 3kw5 s LEU 172 CO 0.01 -0.45 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.07 3kw5 s TYR 173 N 1.98 2.49 -0.30 5.38 2.02 0.12 -0.39 117.35 128.65 3kw5 s TYR 173 Ca 0.49 -1.19 -0.19 0.00 -0.37 0.00 0.00 57.07 55.81 3kw5 s TYR 173 Cb -0.19 -1.70 -0.01 0.00 -0.40 0.00 0.00 41.96 39.65 3kw5 s TYR 173 CO 0.19 -0.54 0.56 -2.00 -1.57 0.00 0.00 175.55 172.19 3kw5 s GLU 174 N 0.74 3.88 -0.33 -0.62 2.12 -0.19 -0.92 118.70 123.38 3kw5 s GLU 174 Ca -0.10 0.19 -0.07 0.00 0.36 0.00 0.00 54.97 55.35 3kw5 s GLU 174 Cb -0.16 -3.72 0.03 0.00 0.26 0.00 0.00 34.13 30.53 3kw5 s GLU 174 CO 0.01 -0.52 0.11 -0.51 -0.54 0.00 0.00 175.26 173.81 3kw5 s LEU 175 N 2.47 4.23 -0.14 2.70 1.43 0.95 -1.71 118.68 128.60 3kw5 s LEU 175 Ca 0.22 -0.98 -0.00 0.00 -1.03 0.00 0.00 54.13 52.34 3kw5 s LEU 175 Cb -0.15 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.20 3kw5 s LEU 175 CO 0.11 -0.29 -0.11 -0.62 0.23 0.00 0.00 176.35 175.68 3kw5 s ASP 176 N 1.46 2.55 0.61 2.29 3.68 -1.26 -2.24 116.67 123.76 3kw5 s ASP 176 Ca 0.00 -0.46 0.38 0.00 2.13 0.00 0.00 52.55 54.61 3kw5 s ASP 176 Cb -0.19 -1.03 1.97 0.00 -1.45 0.00 0.00 42.92 42.23 3kw5 s ASP 176 CO 0.03 -0.10 2.22 1.23 0.13 0.00 0.00 175.17 178.69 3kw5 h GLY 177 N 8.10 0.00 1.67 2.66 0.00 -1.88 -2.23 103.07 111.39 3kw5 h GLY 177 Ca -0.33 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.86 3kw5 h GLY 177 CO 0.47 0.00 -0.84 3.21 0.00 0.00 0.00 176.54 179.37 3kw5 h ARG 178 N 0.00 0.00 -7.08 4.80 3.08 -1.89 0.41 114.38 113.70 3kw5 h ARG 178 Ca -0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 3kw5 h ARG 178 Cb 0.18 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.31 3kw5 h ARG 178 CO 0.00 0.47 0.44 -1.64 -1.07 0.00 0.00 179.97 178.18 3kw5 s MET 179 N -2.93 3.38 0.51 0.04 -1.94 -0.84 -4.96 119.30 112.57 3kw5 s MET 179 Ca 0.01 1.64 0.32 0.00 -1.71 0.00 0.00 55.69 55.96 3kw5 s MET 179 Cb 0.08 -2.04 1.35 0.00 2.01 0.00 0.00 34.83 36.23 3kw5 s MET 179 CO 0.77 -0.83 1.95 -1.00 -0.01 0.00 0.00 175.02 175.91 3kw5 h PRO 180 N 1.28 0.00 -3.12 2.03 0.13 -1.88 -3.47 132.00 126.96 3kw5 h PRO 180 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 3kw5 h PRO 180 Cb 1.26 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.28 3kw5 h PRO 180 CO 0.57 0.00 0.13 -0.59 -0.23 0.00 0.00 178.00 177.89 3kw5 s PHE 181 N -3.63 -0.36 0.54 1.56 -0.12 -1.26 -5.05 117.98 109.66 3kw5 s PHE 181 Ca 0.01 0.07 -0.20 0.00 -0.05 0.00 0.00 56.93 56.77 3kw5 s PHE 181 Cb 0.09 0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 42.93 3kw5 s PHE 181 CO 0.51 -0.89 1.17 -2.14 -0.05 0.00 0.00 175.22 173.81 3kw5 s PRO 182 N -3.81 3.30 -0.29 1.99 0.02 -1.26 -4.80 135.00 130.16 3kw5 s PRO 182 Ca 0.04 1.72 -0.10 0.00 0.02 0.00 0.00 61.00 62.68 3kw5 s PRO 182 Cb -0.01 -2.06 -0.03 0.00 0.02 0.00 0.00 34.50 32.42 3kw5 s PRO 182 CO -0.08 -0.91 0.16 0.08 -0.33 0.00 0.00 177.00 175.91 3kw5 s VAL 183 N -1.67 4.90 -0.44 3.83 1.01 -0.69 -4.95 120.40 122.40 3kw5 s VAL 183 Ca 0.73 -0.09 -0.24 0.00 0.00 0.00 0.00 61.98 62.38 3kw5 s VAL 183 Cb -0.27 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 32.75 3kw5 s VAL 183 CO 0.31 0.20 0.82 0.21 0.00 0.00 0.00 175.10 176.64 3kw5 s ASN 184 N 1.69 6.45 -0.89 3.32 2.47 -1.26 -1.02 114.94 125.69 3kw5 s ASN 184 Ca 0.06 0.01 -0.02 0.00 0.42 0.00 0.00 52.86 53.33 3kw5 s ASN 184 Cb -0.16 -2.40 0.34 0.00 -1.45 0.00 0.00 41.25 37.58 3kw5 s ASN 184 CO 0.08 -0.92 1.96 1.41 -3.72 0.00 0.00 177.10 175.91 3kw5 n HIS 185 N 6.79 2.94 -4.78 0.43 8.25 0.48 -5.03 115.22 124.29 3kw5 n HIS 185 Ca 0.03 -2.40 0.00 0.00 -0.26 0.00 0.00 57.72 55.09 3kw5 n HIS 185 Cb 0.48 -1.18 0.00 0.00 1.12 0.00 0.00 29.99 30.42 3kw5 n HIS 185 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kw5 n GLY 186 N -0.41 -0.83 3.77 -1.41 0.00 -1.26 -4.42 105.19 100.63 3kw5 n GLY 186 Ca 0.52 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 3kw5 n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kw5 s ALA 187 N -1.78 3.22 -0.18 4.61 0.00 -1.26 -2.48 121.76 123.89 3kw5 s ALA 187 Ca 0.00 0.97 -0.13 0.00 0.00 0.00 0.00 51.96 52.80 3kw5 s ALA 187 Cb 0.00 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.80 3kw5 s ALA 187 CO 0.00 -0.47 0.46 0.45 0.00 0.00 0.00 175.76 176.20 3kw5 s SER 188 N -1.06 -0.53 0.41 0.00 0.15 -0.17 -4.69 113.70 107.81 3kw5 s SER 188 Ca 0.54 0.96 -0.06 0.00 0.70 0.00 0.00 55.95 58.10 3kw5 s SER 188 Cb -0.31 0.91 -0.05 0.00 -1.71 0.00 0.00 66.02 64.87 3kw5 s SER 188 CO 0.40 -0.18 0.72 -0.55 1.20 0.00 0.00 173.24 174.82 3kw5 s SER 189 N 0.79 6.37 0.31 5.45 0.15 -1.26 -3.97 113.70 121.54 3kw5 s SER 189 Ca -0.04 0.90 0.00 0.00 0.70 0.00 0.00 55.95 57.51 3kw5 s SER 189 Cb -0.05 -2.23 0.50 0.00 -1.71 0.00 0.00 66.02 62.53 3kw5 s SER 189 CO -0.06 -0.43 1.93 -0.33 1.20 0.00 0.00 173.24 175.54 3kw5 h GLU 190 N 0.81 0.87 0.09 5.44 4.39 -2.00 -1.66 114.58 122.53 3kw5 h GLU 190 Ca -0.47 -0.10 -0.26 0.00 0.34 0.00 0.00 59.36 58.86 3kw5 h GLU 190 Cb 1.20 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 29.69 3kw5 h GLU 190 CO 0.63 0.66 -1.15 -0.44 -1.16 0.00 0.00 179.01 177.55 3kw5 h ASP 191 N 0.88 0.52 -0.31 1.42 3.32 -1.95 -3.26 116.42 117.05 3kw5 h ASP 191 Ca 0.22 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3kw5 h ASP 191 Cb 0.06 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3kw5 h ASP 191 CO -0.03 1.35 0.00 0.35 -1.72 0.00 0.00 179.24 179.19 3kw5 n THR 192 N -3.64 0.95 -0.09 0.35 -2.24 -1.05 -4.36 114.28 104.20 3kw5 n THR 192 Ca -0.09 -0.58 -0.08 0.00 -2.27 0.00 0.00 64.05 61.03 3kw5 n THR 192 Cb 0.96 -0.12 -0.00 0.00 -2.10 0.00 0.00 70.33 69.06 3kw5 n THR 192 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3kw5 h LEU 193 N 1.97 0.23 0.64 3.22 5.85 -1.35 -2.05 115.31 123.81 3kw5 h LEU 193 Ca 0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3kw5 h LEU 193 Cb 0.89 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 3kw5 h LEU 193 CO 0.13 0.17 -0.44 -0.07 -0.34 0.00 0.00 178.44 177.89 3kw5 h LEU 194 N 0.32 -1.14 -1.56 2.25 3.38 -1.85 -1.59 115.31 115.12 3kw5 h LEU 194 Ca 0.13 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.21 3kw5 h LEU 194 Cb 0.05 0.35 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3kw5 h LEU 194 CO -0.09 -0.66 0.35 0.50 0.09 0.00 0.00 178.44 178.63 3kw5 h LYS 195 N -1.04 0.55 -0.21 1.13 3.64 -1.86 0.93 116.57 119.71 3kw5 h LYS 195 Ca -0.08 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.18 3kw5 h LYS 195 Cb 0.86 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3kw5 h LYS 195 CO 0.05 0.36 -0.21 -0.44 -2.27 0.00 0.00 179.45 176.95 3kw5 h ASP 196 N 0.57 0.55 -0.01 4.20 3.45 -1.28 -2.54 116.42 121.35 3kw5 h ASP 196 Ca 0.22 -0.48 -0.17 0.00 0.43 0.00 0.00 57.03 57.04 3kw5 h ASP 196 Cb 0.16 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3kw5 h ASP 196 CO -0.06 0.91 -0.56 0.00 -1.57 0.00 0.00 179.24 177.97 3kw5 h ALA 197 N 0.65 0.65 -0.73 3.45 0.00 -0.64 -3.13 119.26 119.52 3kw5 h ALA 197 Ca 0.03 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 3kw5 h ALA 197 Cb 0.76 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3kw5 h ALA 197 CO 0.05 0.69 0.20 0.00 0.00 0.00 0.00 179.25 180.20 3kw5 h ALA 198 N 0.92 0.99 -0.65 0.00 0.00 -0.90 0.22 119.26 119.84 3kw5 h ALA 198 Ca 0.01 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 54.81 3kw5 h ALA 198 Cb 1.12 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3kw5 h ALA 198 CO 0.11 0.67 0.44 -0.22 0.00 0.00 0.00 179.25 180.24 3kw5 h LYS 199 N 1.09 0.33 0.24 0.00 3.64 -1.40 0.12 116.57 120.58 3kw5 h LYS 199 Ca 0.23 -0.02 -0.34 0.00 -1.27 0.00 0.00 60.65 59.25 3kw5 h LYS 199 Cb 0.33 -0.07 0.03 0.00 -0.41 0.00 0.00 32.23 32.11 3kw5 h LYS 199 CO -0.00 0.22 -1.56 0.28 -2.27 0.00 0.00 179.45 176.12 3kw5 h VAL 200 N 0.34 1.19 -0.31 2.00 2.07 -1.37 -3.33 116.25 116.84 3kw5 h VAL 200 Ca 0.31 -2.65 0.01 0.00 0.82 0.00 0.00 66.70 65.19 3kw5 h VAL 200 Cb 0.75 2.98 -0.02 0.00 -1.52 0.00 0.00 31.29 33.48 3kw5 h VAL 200 CO -0.08 0.82 0.21 0.00 0.02 0.00 0.00 177.57 178.54 3kw5 h ARG 202 N 0.38 0.00 -0.38 0.00 3.08 -0.93 -2.70 114.38 113.83 3kw5 h ARG 202 Ca 0.12 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 3kw5 h ARG 202 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3kw5 h ARG 202 CO -0.03 0.27 -0.06 0.93 -1.07 0.00 0.00 179.97 180.02 3kw5 h GLU 203 N 0.00 0.71 -0.87 0.04 5.08 -1.49 -1.07 114.58 116.97 3kw5 h GLU 203 Ca -0.00 -0.26 0.06 0.00 -1.00 0.00 0.00 59.36 58.17 3kw5 h GLU 203 Cb 0.59 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 3kw5 h GLU 203 CO 0.04 0.84 0.57 0.74 -1.00 0.00 0.00 179.01 180.19 3kw5 h PHE 204 N 0.52 1.00 -0.25 4.33 -1.00 -1.48 -0.11 116.94 119.95 3kw5 h PHE 204 Ca 0.10 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.88 3kw5 h PHE 204 Cb 0.56 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 39.78 3kw5 h PHE 204 CO 0.05 0.52 0.06 1.15 -1.61 0.00 0.00 178.31 178.48 3kw5 h THR 205 N 0.98 1.21 0.00 -1.55 2.02 -1.24 -3.02 112.91 111.32 3kw5 h THR 205 Ca 0.38 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 3kw5 h THR 205 Cb 0.20 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3kw5 h THR 205 CO -0.14 0.22 -0.04 -0.33 0.37 0.00 0.00 175.52 175.61 3kw5 h GLU 206 N 0.23 0.00 0.00 6.66 5.08 -0.53 -2.68 114.58 123.34 3kw5 h GLU 206 Ca 0.08 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 3kw5 h GLU 206 Cb 0.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3kw5 h GLU 206 CO 0.00 0.04 -0.77 0.00 -1.00 0.00 0.00 179.01 177.28 3kw5 h ARG 207 N 0.00 0.00 -2.97 2.33 3.08 -1.02 -3.35 114.38 112.45 3kw5 h ARG 207 Ca -0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 3kw5 h ARG 207 Cb 0.68 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.33 3kw5 h ARG 207 CO 0.00 0.77 -0.43 0.39 -1.07 0.00 0.00 179.97 179.63 3kw5 n GLU 208 N -3.33 2.21 -0.07 0.04 -0.58 -1.02 -4.98 120.64 112.91 3kw5 n GLU 208 Ca 0.01 -4.53 -0.12 0.00 -0.42 0.00 0.00 57.16 52.10 3kw5 n GLU 208 Cb 0.83 -2.32 -0.06 0.00 -0.57 0.00 0.00 31.44 29.33 3kw5 n GLU 208 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 3kw5 h GLN 209 N 5.29 0.40 0.00 3.49 4.15 -1.69 -2.98 115.11 123.78 3kw5 h GLN 209 Ca 0.16 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 3kw5 h GLN 209 Cb 0.74 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.42 3kw5 h GLN 209 CO 0.79 0.69 -0.03 0.78 -1.93 0.00 0.00 178.83 179.13 3kw5 h GLY 210 N 0.10 0.00 -3.90 2.39 0.00 -1.94 -3.47 103.07 96.25 3kw5 h GLY 210 Ca 0.04 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.86 3kw5 h GLY 210 CO 0.03 0.00 0.50 1.85 0.00 0.00 0.00 176.54 178.91 3kw5 s GLU 211 N -3.42 4.60 -0.07 4.80 2.56 -1.13 -4.96 118.70 121.08 3kw5 s GLU 211 Ca 0.04 1.82 0.15 0.00 0.00 0.00 0.00 54.97 56.98 3kw5 s GLU 211 Cb 0.07 -3.20 -0.22 0.00 2.00 0.00 0.00 34.13 32.78 3kw5 s GLU 211 CO 0.62 0.13 0.24 0.28 -0.56 0.00 0.00 175.26 175.96 3kw5 n VAL 212 N 1.55 0.36 -0.96 3.70 0.31 -1.26 -4.84 118.33 117.18 3kw5 n VAL 212 Ca 0.00 -0.45 -0.29 0.00 -0.01 0.00 0.00 64.34 63.59 3kw5 n VAL 212 Cb 0.45 -0.13 -0.02 0.00 -0.91 0.00 0.00 33.84 33.22 3kw5 n VAL 212 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kw5 n ARG 213 N -2.22 2.41 -4.31 5.55 1.74 -1.26 -4.84 116.66 113.72 3kw5 n ARG 213 Ca -0.10 -1.72 -0.30 0.00 -0.77 0.00 0.00 57.85 54.96 3kw5 n ARG 213 Cb 0.61 -2.62 -0.11 0.00 -1.02 0.00 0.00 32.46 29.32 3kw5 n ARG 213 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3kw5 s PHE 214 N 3.31 2.58 0.03 -1.55 0.40 -1.26 -3.90 117.98 117.58 3kw5 s PHE 214 Ca 0.48 -0.24 -0.09 0.00 -0.60 0.00 0.00 56.93 56.49 3kw5 s PHE 214 Cb 0.13 -1.37 0.00 0.00 0.51 0.00 0.00 43.02 42.29 3kw5 s PHE 214 CO -0.03 0.38 0.17 -1.12 0.70 0.00 0.00 175.22 175.33 3kw5 s SER 215 N -2.10 0.04 -0.06 1.36 0.01 -0.14 -5.01 113.70 107.80 3kw5 s SER 215 Ca 0.18 -0.33 -0.15 0.00 1.31 0.00 0.00 55.95 56.96 3kw5 s SER 215 Cb -0.11 0.26 0.03 0.00 0.21 0.00 0.00 66.02 66.41 3kw5 s SER 215 CO 0.10 -0.50 0.34 0.00 0.41 0.00 0.00 173.24 173.60 3kw5 s ALA 216 N -2.21 -0.86 0.02 1.44 0.00 -1.26 0.16 121.76 119.05 3kw5 s ALA 216 Ca -0.08 0.60 0.01 0.00 0.00 0.00 0.00 51.96 52.49 3kw5 s ALA 216 Cb -0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 3kw5 s ALA 216 CO -0.02 -0.23 -0.04 0.14 0.00 0.00 0.00 175.76 175.60 3kw5 s VAL 217 N -0.81 0.26 -0.11 0.00 -7.23 -0.81 -2.25 120.40 109.45 3kw5 s VAL 217 Ca -0.09 -0.81 0.01 0.00 -1.81 0.00 0.00 61.98 59.28 3kw5 s VAL 217 Cb -0.04 -0.35 -0.02 0.00 0.56 0.00 0.00 36.38 36.53 3kw5 s VAL 217 CO 0.03 -0.36 -0.13 0.00 -0.31 0.00 0.00 175.10 174.34 3kw5 s ALA 218 N -1.16 2.66 -0.24 1.32 0.00 0.56 -1.45 121.76 123.45 3kw5 s ALA 218 Ca -0.11 -0.91 -0.25 0.00 0.00 0.00 0.00 51.96 50.69 3kw5 s ALA 218 Cb -0.08 -1.17 -0.00 0.00 0.00 0.00 0.00 23.12 21.87 3kw5 s ALA 218 CO -0.00 0.33 0.87 -1.17 0.00 0.00 0.00 175.76 175.79 3kw5 s LEU 219 N 0.05 4.08 0.13 0.00 2.96 -0.51 -0.69 118.68 124.70 3kw5 s LEU 219 Ca -0.05 1.08 -0.10 0.00 -0.22 0.00 0.00 54.13 54.84 3kw5 s LEU 219 Cb -0.14 -3.25 0.00 0.00 0.50 0.00 0.00 46.19 43.30 3kw5 s LEU 219 CO 0.04 -0.55 0.27 0.00 -1.32 0.00 0.00 176.35 174.79 3kw5 s LYS 221 N -3.90 3.65 0.01 0.00 2.20 -0.83 -1.40 119.74 119.47 3kw5 s LYS 221 Ca 0.10 0.09 -0.02 0.00 -0.36 0.00 0.00 55.97 55.78 3kw5 s LYS 221 Cb 0.04 -3.17 -0.01 0.00 -1.51 0.00 0.00 37.83 33.17 3kw5 s LYS 221 CO -0.06 0.72 -0.05 0.00 -0.36 0.00 0.00 175.35 175.60 3kw5 n ALA 222 N 1.73 2.27 -0.48 3.13 0.00 -1.18 -4.27 120.51 121.71 3kw5 n ALA 222 Ca -0.16 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3kw5 n ALA 222 Cb 0.54 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.07 3kw5 n ALA 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50