#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5k s ASN 3 N 0.00 0.05 -0.02 4.04 0.01 -1.26 -5.14 114.94 112.62 1a5k s ASN 3 Ca 0.00 -0.16 -0.04 0.00 -0.71 0.00 0.00 52.86 51.95 1a5k s ASN 3 Cb 0.00 0.16 0.00 0.00 0.41 0.00 0.00 41.25 41.82 1a5k s ASN 3 CO 0.00 -0.22 0.10 -0.51 -1.51 0.00 0.00 177.10 174.96 1a5k s ILE 4 N -0.86 0.03 0.57 0.60 2.07 -1.26 -5.15 121.20 117.21 1a5k s ILE 4 Ca -0.09 -0.29 -0.17 0.00 -1.41 0.00 0.00 60.65 58.69 1a5k s ILE 4 Cb -0.06 -0.24 -0.04 0.00 0.13 0.00 0.00 42.46 42.25 1a5k s ILE 4 CO 0.00 -0.16 1.07 -0.94 -1.91 0.00 0.00 174.94 173.00 1a5k s SER 5 N -0.49 5.82 0.23 4.50 1.04 -1.26 -4.89 113.70 118.65 1a5k s SER 5 Ca -0.06 1.89 -0.07 0.00 0.48 0.00 0.00 55.95 58.19 1a5k s SER 5 Cb -0.04 -2.54 0.27 0.00 0.10 0.00 0.00 66.02 63.81 1a5k s SER 5 CO 0.00 -1.14 1.85 0.03 0.98 0.00 0.00 173.24 174.97 1a5k h ARG 6 N 0.69 0.91 -0.01 4.02 3.08 -2.01 -0.74 114.38 120.34 1a5k h ARG 6 Ca -0.48 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.52 1a5k h ARG 6 Cb 1.23 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 1a5k h ARG 6 CO 0.57 0.60 0.00 0.37 -1.07 0.00 0.00 179.97 180.45 1a5k h GLN 7 N 0.94 0.01 -0.67 0.04 5.75 -1.99 0.01 115.11 119.20 1a5k h GLN 7 Ca 0.34 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.83 1a5k h GLN 7 Cb 0.10 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 1a5k h GLN 7 CO -0.15 0.09 0.39 0.00 -2.65 0.00 0.00 178.83 176.52 1a5k h ALA 8 N 0.92 1.43 -0.30 3.38 0.00 -1.90 -1.47 119.26 121.32 1a5k h ALA 8 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1a5k h ALA 8 Cb 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1a5k h ALA 8 CO -0.00 0.49 0.13 -0.92 0.00 0.00 0.00 179.25 178.95 1a5k h TYR 9 N 0.92 0.44 -0.69 0.00 5.03 -0.64 -2.13 116.97 119.91 1a5k h TYR 9 Ca 0.24 -0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.49 1a5k h TYR 9 Cb -0.02 -0.14 -0.03 0.00 1.55 0.00 0.00 36.73 38.09 1a5k h TYR 9 CO 0.00 0.42 0.28 0.00 -1.32 0.00 0.00 178.16 177.54 1a5k h ALA 10 N 0.98 1.19 0.00 1.82 0.00 -0.46 0.97 119.26 123.76 1a5k h ALA 10 Ca 0.10 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1a5k h ALA 10 Cb 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1a5k h ALA 10 CO -0.01 0.59 -0.22 -0.44 0.00 0.00 0.00 179.25 179.17 1a5k h ASP 11 N 1.00 0.00 0.00 0.00 5.19 -1.00 0.14 116.42 121.74 1a5k h ASP 11 Ca 0.23 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.43 1a5k h ASP 11 Cb 0.19 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.67 1a5k h ASP 11 CO -0.02 0.22 -1.19 0.24 -3.12 0.00 0.00 179.24 175.37 1a5k h MET 12 N 0.00 0.00 -0.07 3.56 2.86 -0.71 -3.42 114.93 117.14 1a5k h MET 12 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1a5k h MET 12 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1a5k h MET 12 CO 0.03 0.93 0.00 1.19 1.06 0.00 0.00 176.91 180.12 1a5k n PHE 13 N -4.45 0.08 0.00 -0.22 3.72 0.27 -4.92 117.46 111.94 1a5k n PHE 13 Ca -0.30 -0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.00 1a5k n PHE 13 Cb 0.65 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 1a5k n PHE 13 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a5k n GLY 14 N 0.49 0.50 3.73 1.37 0.00 0.48 -4.19 105.19 107.56 1a5k n GLY 14 Ca 0.06 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 1a5k n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a5k s PRO 15 N -1.94 2.16 0.35 1.61 0.04 -1.26 -3.98 135.00 131.98 1a5k s PRO 15 Ca 0.00 1.71 0.02 0.00 0.04 0.00 0.00 61.00 62.77 1a5k s PRO 15 Cb 0.00 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.69 1a5k s PRO 15 CO 0.00 -1.81 0.07 -2.37 0.04 0.00 0.00 177.00 172.93 1a5k n THR 16 N -2.75 0.00 -1.65 1.26 5.66 -1.26 -4.96 114.28 110.59 1a5k n THR 16 Ca 0.13 -1.85 -0.61 0.00 -3.05 0.00 0.00 64.05 58.66 1a5k n THR 16 Cb 0.50 0.55 -0.08 0.00 -1.55 0.00 0.00 70.33 69.75 1a5k n THR 16 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1a5k n VAL 17 N -0.82 0.06 0.00 1.08 0.31 -1.26 -1.18 118.33 116.52 1a5k n VAL 17 Ca -0.09 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1a5k n VAL 17 Cb 0.48 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 1a5k n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a5k n GLY 18 N 3.11 3.08 3.77 2.92 0.00 -0.92 -4.98 105.19 112.16 1a5k n GLY 18 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 1a5k n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a5k s ASP 19 N 0.39 6.50 0.15 1.61 1.01 -0.33 -4.78 116.67 121.24 1a5k s ASP 19 Ca 0.00 2.26 0.08 0.00 0.71 0.00 0.00 52.55 55.59 1a5k s ASP 19 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1a5k s ASP 19 CO 0.00 -0.68 -0.05 -0.54 0.21 0.00 0.00 175.17 174.10 1a5k s LYS 20 N -2.43 2.23 -0.02 8.23 1.02 -1.26 -1.84 119.74 125.67 1a5k s LYS 20 Ca 0.59 -1.12 0.01 0.00 0.02 0.00 0.00 55.97 55.47 1a5k s LYS 20 Cb -0.28 -2.29 0.01 0.00 -0.52 0.00 0.00 37.83 34.74 1a5k s LYS 20 CO 0.35 0.47 -0.05 0.08 -0.92 0.00 0.00 175.35 175.28 1a5k s VAL 21 N -1.57 0.45 0.08 3.17 1.01 -0.05 -4.96 120.40 118.54 1a5k s VAL 21 Ca 0.25 -0.18 -0.26 0.00 0.00 0.00 0.00 61.98 61.79 1a5k s VAL 21 Cb -0.10 -0.42 -0.06 0.00 0.00 0.00 0.00 36.38 35.80 1a5k s VAL 21 CO 0.16 0.16 0.80 -0.60 0.00 0.00 0.00 175.10 175.62 1a5k s ARG 22 N 0.27 4.55 -0.47 2.72 3.52 -1.26 -1.27 118.95 127.00 1a5k s ARG 22 Ca -0.03 1.15 -0.25 0.00 -0.13 0.00 0.00 55.73 56.47 1a5k s ARG 22 Cb -0.07 -3.34 0.03 0.00 -1.56 0.00 0.00 34.95 30.01 1a5k s ARG 22 CO -0.00 0.34 0.89 -0.51 -0.81 0.00 0.00 175.30 175.20 1a5k s LEU 23 N -0.30 4.10 0.00 -0.88 1.43 -0.30 -4.74 118.68 117.99 1a5k s LEU 23 Ca 0.39 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 1a5k s LEU 23 Cb -0.22 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 42.94 1a5k s LEU 23 CO 0.25 -1.04 0.00 0.00 0.23 0.00 0.00 176.35 175.79 1a5k n ALA 24 N 7.09 0.00 -1.41 4.21 0.00 -0.36 -1.33 120.51 128.70 1a5k n ALA 24 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.40 1a5k n ALA 24 Cb 0.48 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.13 1a5k n ALA 24 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1a5k n ASP 25 N 3.23 2.73 -4.22 0.00 5.75 -1.26 -4.83 116.55 117.94 1a5k n ASP 25 Ca 0.00 -3.75 -0.18 0.00 -0.01 0.00 0.00 54.79 50.85 1a5k n ASP 25 Cb 0.00 -0.68 0.09 0.00 -1.03 0.00 0.00 41.12 39.50 1a5k n ASP 25 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1a5k n THR 26 N -1.12 0.00 0.47 2.12 -2.24 -0.44 -4.81 114.28 108.26 1a5k n THR 26 Ca 0.38 -1.40 0.11 0.00 -2.27 0.00 0.00 64.05 60.87 1a5k n THR 26 Cb 1.16 -0.86 0.26 0.00 -2.10 0.00 0.00 70.33 68.79 1a5k n THR 26 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a5k n GLU 27 N -2.40 2.29 -2.84 -0.78 -0.58 -1.26 -4.64 120.64 110.42 1a5k n GLU 27 Ca 0.14 -1.97 -0.41 0.00 -0.42 0.00 0.00 57.16 54.49 1a5k n GLU 27 Cb 0.50 -1.47 -0.04 0.00 -0.57 0.00 0.00 31.44 29.86 1a5k n GLU 27 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1a5k s LEU 28 N -1.38 4.24 -0.05 -4.62 1.43 -1.26 -5.00 118.68 112.05 1a5k s LEU 28 Ca 0.37 1.33 0.06 0.00 -1.03 0.00 0.00 54.13 54.87 1a5k s LEU 28 Cb 0.21 -3.33 -0.01 0.00 0.03 0.00 0.00 46.19 43.08 1a5k s LEU 28 CO 0.29 -0.35 -0.24 0.26 0.23 0.00 0.00 176.35 176.54 1a5k s TRP 29 N 1.75 2.44 0.20 0.29 0.52 -1.26 -1.14 118.94 121.74 1a5k s TRP 29 Ca 0.42 -0.61 0.09 0.00 0.02 0.00 0.00 56.10 56.02 1a5k s TRP 29 Cb -0.18 -1.58 -0.04 0.00 -1.15 0.00 0.00 33.47 30.52 1a5k s TRP 29 CO 0.17 -0.15 -0.06 0.96 0.02 0.00 0.00 176.95 177.89 1a5k s ILE 30 N -0.30 3.32 -0.05 2.03 -4.36 -0.40 -1.10 121.20 120.35 1a5k s ILE 30 Ca 0.01 -1.71 0.02 0.00 -0.26 0.00 0.00 60.65 58.71 1a5k s ILE 30 Cb -0.13 -2.69 0.01 0.00 1.25 0.00 0.00 42.46 40.91 1a5k s ILE 30 CO 0.02 -0.19 -0.10 -0.70 0.24 0.00 0.00 174.94 174.22 1a5k s GLU 31 N -3.09 1.35 -0.11 0.37 2.12 -1.26 -0.87 118.70 117.21 1a5k s GLU 31 Ca 0.27 -0.33 -0.29 0.00 0.36 0.00 0.00 54.97 54.98 1a5k s GLU 31 Cb -0.08 -1.17 -0.06 0.00 0.26 0.00 0.00 34.13 33.07 1a5k s GLU 31 CO 0.17 0.04 1.95 0.08 -0.54 0.00 0.00 175.26 176.95 1a5k s VAL 32 N 0.58 3.21 0.10 3.70 1.01 -0.77 -4.86 120.40 123.36 1a5k s VAL 32 Ca -0.11 0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.17 1a5k s VAL 32 Cb -0.14 -3.20 -0.22 0.00 0.00 0.00 0.00 36.38 32.82 1a5k s VAL 32 CO 0.02 -0.08 1.21 -0.33 0.00 0.00 0.00 175.10 175.92 1a5k h GLU 33 N 11.98 0.03 -3.11 2.72 5.08 -1.34 -2.45 114.58 127.49 1a5k h GLU 33 Ca -0.42 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 57.84 1a5k h GLU 33 Cb 1.21 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 30.36 1a5k h GLU 33 CO 0.96 0.98 0.08 0.34 -1.00 0.00 0.00 179.01 180.38 1a5k s ASP 34 N -6.71 -0.43 -0.05 1.42 -1.08 -1.25 -4.93 116.67 103.65 1a5k s ASP 34 Ca -0.00 -0.09 -0.01 0.00 -0.52 0.00 0.00 52.55 51.92 1a5k s ASP 34 Cb 0.09 0.54 0.03 0.00 -1.46 0.00 0.00 42.92 42.12 1a5k s ASP 34 CO 0.83 -0.89 0.03 -0.62 0.52 0.00 0.00 175.17 175.04 1a5k s ASP 35 N -2.66 1.10 0.00 -0.34 -1.08 -1.26 -0.68 116.67 111.75 1a5k s ASP 35 Ca 0.01 0.01 0.22 0.00 -0.52 0.00 0.00 52.55 52.27 1a5k s ASP 35 Cb 0.00 -0.24 0.93 0.00 -1.46 0.00 0.00 42.92 42.15 1a5k s ASP 35 CO -0.11 -0.20 1.65 0.18 0.52 0.00 0.00 175.17 177.20 1a5k n LEU 36 N 5.01 1.21 -4.93 -1.34 4.32 -0.45 -4.94 117.00 115.88 1a5k n LEU 36 Ca -0.09 -0.49 -0.27 0.00 -0.02 0.00 0.00 56.01 55.15 1a5k n LEU 36 Cb 0.50 -0.06 0.08 0.00 -1.62 0.00 0.00 43.42 42.32 1a5k n LEU 36 CO 0.11 0.24 0.67 0.28 -1.22 0.00 0.00 177.39 177.47 1a5k s THR 37 N -1.88 2.19 -0.26 -5.08 -1.32 -1.26 -4.51 115.64 103.52 1a5k s THR 37 Ca 0.33 -0.21 0.01 0.00 -1.21 0.00 0.00 61.69 60.61 1a5k s THR 37 Cb 0.17 -2.98 0.05 0.00 -1.51 0.00 0.00 72.50 68.24 1a5k s THR 37 CO 0.27 0.00 -0.08 -0.89 -2.21 0.00 0.00 174.62 171.70 1a5k s THR 38 N -3.36 2.45 -0.19 5.08 2.01 -1.26 -5.07 115.64 115.30 1a5k s THR 38 Ca 0.62 -1.45 -0.38 0.00 0.31 0.00 0.00 61.69 60.79 1a5k s THR 38 Cb -0.10 -2.38 -0.15 0.00 0.01 0.00 0.00 72.50 69.89 1a5k s THR 38 CO 0.46 0.02 1.72 -1.22 -0.69 0.00 0.00 174.62 174.91 1a5k n TYR 39 N 4.52 2.05 0.00 4.92 4.01 -1.26 -0.61 117.16 130.79 1a5k n TYR 39 Ca -0.15 0.44 0.00 0.00 -0.16 0.00 0.00 57.90 58.03 1a5k n TYR 39 Cb 0.44 -2.49 0.00 0.00 -0.31 0.00 0.00 39.34 36.98 1a5k n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a5k n GLY 40 N 4.02 1.38 0.87 2.72 0.00 -1.26 -4.92 105.19 107.99 1a5k n GLY 40 Ca 0.24 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.34 1a5k n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a5k n GLU 41 N -1.82 3.00 -2.06 1.61 -0.58 0.22 -5.03 120.64 115.98 1a5k n GLU 41 Ca 0.00 -2.61 -0.40 0.00 -0.42 0.00 0.00 57.16 53.73 1a5k n GLU 41 Cb 0.00 -1.69 -0.01 0.00 -0.57 0.00 0.00 31.44 29.18 1a5k n GLU 41 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1a5k s GLU 42 N -2.24 4.00 -0.01 3.49 8.01 -1.25 -4.87 118.70 125.83 1a5k s GLU 42 Ca 0.37 2.16 -0.16 0.00 0.01 0.00 0.00 54.97 57.36 1a5k s GLU 42 Cb 0.28 -2.78 -0.06 0.00 -4.31 0.00 0.00 34.13 27.26 1a5k s GLU 42 CO 0.12 -0.47 0.43 0.14 0.01 0.00 0.00 175.26 175.49 1a5k s VAL 43 N -1.25 5.02 0.00 2.63 -7.23 -1.26 -4.93 120.40 113.37 1a5k s VAL 43 Ca 0.56 0.89 -0.02 0.00 -1.81 0.00 0.00 61.98 61.61 1a5k s VAL 43 Cb -0.38 -3.75 -0.01 0.00 0.56 0.00 0.00 36.38 32.81 1a5k s VAL 43 CO 0.49 0.54 0.03 -0.75 -0.31 0.00 0.00 175.10 175.11 1a5k s LYS 44 N -0.85 0.25 0.02 4.82 2.20 -1.26 -4.75 119.74 120.17 1a5k s LYS 44 Ca 0.24 -0.33 0.05 0.00 -0.36 0.00 0.00 55.97 55.58 1a5k s LYS 44 Cb -0.17 0.10 -0.03 0.00 -1.51 0.00 0.00 37.83 36.22 1a5k s LYS 44 CO 0.14 -0.05 -0.12 0.12 -0.36 0.00 0.00 175.35 175.08 1a5k s PHE 45 N -0.92 2.73 0.00 4.03 5.36 -1.26 -1.67 117.98 126.24 1a5k s PHE 45 Ca -0.10 -0.15 0.00 0.00 -0.96 0.00 0.00 56.93 55.72 1a5k s PHE 45 Cb -0.06 -1.54 0.00 0.00 -0.34 0.00 0.00 43.02 41.08 1a5k s PHE 45 CO -0.00 0.31 0.00 0.41 -1.46 0.00 0.00 175.22 174.48 1a5k n GLY 46 N 1.56 1.23 3.65 13.12 0.00 -1.26 -4.92 105.19 118.56 1a5k n GLY 46 Ca -0.16 -1.70 -0.44 0.00 0.00 0.00 0.00 46.02 43.73 1a5k n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5k n GLY 47 N -1.70 1.64 2.23 -0.02 0.00 -1.26 -1.65 105.19 104.43 1a5k n GLY 47 Ca 0.00 0.83 -0.08 0.00 0.00 0.00 0.00 46.02 46.77 1a5k n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5k n GLY 48 N 4.74 0.94 0.00 -0.02 0.00 -1.26 -5.02 105.19 104.57 1a5k n GLY 48 Ca 0.22 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1a5k n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a5k n LYS 49 N -2.72 2.25 0.01 1.61 4.76 -0.66 -5.05 118.16 118.36 1a5k n LYS 49 Ca -0.08 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.17 1a5k n LYS 49 Cb 0.27 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.32 1a5k n LYS 49 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1a5k h VAL 50 N 0.00 1.44 -0.49 -0.18 2.07 -1.65 -3.42 116.25 114.03 1a5k h VAL 50 Ca 0.00 -2.46 -0.35 0.00 0.82 0.00 0.00 66.70 64.72 1a5k h VAL 50 Cb 0.00 3.09 -0.04 0.00 -1.52 0.00 0.00 31.29 32.82 1a5k h VAL 50 CO 0.00 0.67 1.12 -0.63 0.02 0.00 0.00 177.57 178.75 1a5k s ILE 51 N -2.39 3.57 0.01 4.57 1.01 -0.67 -1.03 121.20 126.26 1a5k s ILE 51 Ca -0.17 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.48 1a5k s ILE 51 Cb 0.01 -4.59 -0.01 0.00 0.01 0.00 0.00 42.46 37.88 1a5k s ILE 51 CO 0.78 -1.04 0.08 -0.13 0.00 0.00 0.00 174.94 174.63 1a5k s ARG 52 N 6.38 0.42 -0.16 2.79 0.52 -1.26 -4.82 118.95 122.81 1a5k s ARG 52 Ca 0.68 -0.47 -0.41 0.00 -0.52 0.00 0.00 55.73 55.01 1a5k s ARG 52 Cb -0.01 0.17 -0.19 0.00 0.52 0.00 0.00 34.95 35.44 1a5k s ARG 52 CO 0.13 -0.09 1.19 -3.47 0.02 0.00 0.00 175.30 173.08 1a5k n ASP 53 N 1.52 0.38 0.00 0.23 2.03 -1.26 -0.58 116.55 118.86 1a5k n ASP 53 Ca -0.23 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.20 1a5k n ASP 53 Cb 0.55 -0.87 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 1a5k n ASP 53 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1a5k n GLY 54 N 2.23 2.85 0.00 0.27 0.00 -0.52 -4.85 105.19 105.17 1a5k n GLY 54 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1a5k n GLY 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1a5k n MET 55 N -1.97 0.00 0.00 1.61 2.81 0.25 -4.82 117.12 115.00 1a5k n MET 55 Ca 0.00 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 56.03 1a5k n MET 55 Cb 0.00 0.00 0.76 0.00 -0.71 0.00 0.00 33.22 33.27 1a5k n MET 55 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a5k n GLY 56 N 4.56 -1.10 3.35 3.03 0.00 -0.20 -4.41 105.19 110.41 1a5k n GLY 56 Ca 0.00 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1a5k n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a5k s GLN 57 N -2.37 2.72 0.04 1.61 0.74 -1.08 -3.30 119.66 118.02 1a5k s GLN 57 Ca 0.33 -0.80 0.00 0.00 0.05 0.00 0.00 55.36 54.94 1a5k s GLN 57 Cb 0.19 -2.33 0.01 0.00 1.10 0.00 0.00 33.01 31.98 1a5k s GLN 57 CO 0.39 0.41 0.06 0.41 -0.55 0.00 0.00 175.29 176.02 1a5k n GLY 58 N 2.89 1.03 0.67 2.59 0.00 0.14 -1.43 105.19 111.08 1a5k n GLY 58 Ca -0.17 -2.00 0.06 0.00 0.00 0.00 0.00 46.02 43.91 1a5k n GLY 58 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a5k n GLN 59 N -1.11 2.23 -1.44 1.61 1.13 -1.26 -4.26 117.38 114.29 1a5k n GLN 59 Ca 0.01 -1.87 -0.32 0.00 -1.94 0.00 0.00 57.00 52.88 1a5k n GLN 59 Cb 0.04 -1.29 0.08 0.00 0.11 0.00 0.00 30.24 29.17 1a5k n GLN 59 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1a5k s MET 60 N -1.02 2.39 0.79 -1.09 0.23 -1.26 -5.01 119.30 114.34 1a5k s MET 60 Ca 0.23 1.32 -0.12 0.00 -1.03 0.00 0.00 55.69 56.10 1a5k s MET 60 Cb 0.13 -1.90 0.07 0.00 -1.53 0.00 0.00 34.83 31.59 1a5k s MET 60 CO 0.18 -1.56 1.12 -0.51 -2.03 0.00 0.00 175.02 172.22 1a5k s LEU 61 N -5.48 2.56 0.28 0.18 1.43 -1.26 -4.53 118.68 111.86 1a5k s LEU 61 Ca 0.65 1.08 0.01 0.00 -1.03 0.00 0.00 54.13 54.84 1a5k s LEU 61 Cb -0.20 -3.67 0.62 0.00 0.03 0.00 0.00 46.19 42.97 1a5k s LEU 61 CO 0.49 -1.87 1.74 0.00 0.23 0.00 0.00 176.35 176.94 1a5k h ALA 62 N -1.02 1.37 0.00 4.21 0.00 -1.96 0.11 119.26 121.97 1a5k h ALA 62 Ca -0.47 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1a5k h ALA 62 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1a5k h ALA 62 CO 0.63 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1a5k h ALA 63 N 1.62 1.00 -0.54 0.00 0.00 -1.99 -2.69 119.26 116.65 1a5k h ALA 63 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1a5k h ALA 63 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1a5k h ALA 63 CO -0.42 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.58 1a5k n ASP 64 N -3.03 3.68 -4.07 0.00 8.00 0.38 -4.98 116.55 116.53 1a5k n ASP 64 Ca -0.02 -2.13 -0.09 0.00 0.71 0.00 0.00 54.79 53.26 1a5k n ASP 64 Cb 0.14 -0.41 -0.09 0.00 -0.02 0.00 0.00 41.12 40.74 1a5k n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a5k s VAL 66 N -4.01 4.53 0.02 0.00 -7.23 -0.92 -4.91 120.40 107.88 1a5k s VAL 66 Ca 0.20 0.70 -0.01 0.00 -1.81 0.00 0.00 61.98 61.06 1a5k s VAL 66 Cb 0.06 -3.80 -0.27 0.00 0.56 0.00 0.00 36.38 32.93 1a5k s VAL 66 CO 0.00 -1.01 0.91 0.44 -0.31 0.00 0.00 175.10 175.12 1a5k h ASP 67 N -0.29 0.34 -3.81 4.85 3.32 -1.21 -3.33 116.42 116.29 1a5k h ASP 67 Ca -0.45 -0.46 -0.24 0.00 0.02 0.00 0.00 57.03 55.91 1a5k h ASP 67 Cb 1.20 -0.11 -0.28 0.00 0.22 0.00 0.00 39.33 40.37 1a5k h ASP 67 CO 0.62 1.38 -0.72 -0.22 -1.72 0.00 0.00 179.24 178.58 1a5k s LEU 68 N -6.92 2.01 -0.05 1.55 2.96 -0.69 0.14 118.68 117.68 1a5k s LEU 68 Ca -0.07 -0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1a5k s LEU 68 Cb 0.07 -0.03 0.01 0.00 0.50 0.00 0.00 46.19 46.74 1a5k s LEU 68 CO 0.85 -0.00 -0.10 0.54 -1.32 0.00 0.00 176.35 176.32 1a5k s VAL 69 N -0.08 0.91 -0.44 1.68 0.11 -0.70 -0.57 120.40 121.31 1a5k s VAL 69 Ca -0.00 -0.36 -0.11 0.00 -2.93 0.00 0.00 61.98 58.57 1a5k s VAL 69 Cb -0.01 -0.85 0.08 0.00 -1.53 0.00 0.00 36.38 34.07 1a5k s VAL 69 CO -0.00 0.30 0.31 -0.76 -3.33 0.00 0.00 175.10 171.62 1a5k s LEU 70 N 0.63 5.35 0.22 2.54 1.02 0.13 -1.42 118.68 127.15 1a5k s LEU 70 Ca -0.12 -1.47 -0.30 0.00 0.02 0.00 0.00 54.13 52.27 1a5k s LEU 70 Cb -0.14 -2.06 -0.09 0.00 0.02 0.00 0.00 46.19 43.93 1a5k s LEU 70 CO 0.02 -0.58 0.94 0.42 0.02 0.00 0.00 176.35 177.17 1a5k s THR 71 N 1.49 4.12 -1.39 5.49 -4.23 -0.77 -1.01 115.64 119.34 1a5k s THR 71 Ca 0.03 2.09 -0.01 0.00 -1.18 0.00 0.00 61.69 62.62 1a5k s THR 71 Cb -0.24 -4.33 0.01 0.00 1.34 0.00 0.00 72.50 69.28 1a5k s THR 71 CO 0.03 0.48 0.50 0.59 -0.54 0.00 0.00 174.62 175.69 1a5k n ASN 72 N 1.64 -0.68 -4.84 3.99 3.02 -1.25 -1.13 115.26 116.01 1a5k n ASN 72 Ca -0.02 -0.96 -0.34 0.00 -0.03 0.00 0.00 54.58 53.23 1a5k n ASN 72 Cb 0.47 -3.29 -0.06 0.00 -0.61 0.00 0.00 39.78 36.29 1a5k n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a5k s ALA 73 N -3.86 3.44 -0.50 5.41 0.00 0.13 -3.09 121.76 123.28 1a5k s ALA 73 Ca 0.04 0.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.91 1a5k s ALA 73 Cb -0.02 -2.70 0.12 0.00 0.00 0.00 0.00 23.12 20.52 1a5k s ALA 73 CO 0.87 0.37 0.40 -1.17 0.00 0.00 0.00 175.76 176.24 1a5k s LEU 74 N -2.34 5.88 0.05 0.00 2.96 -0.95 -1.03 118.68 123.25 1a5k s LEU 74 Ca 0.45 -1.88 -0.30 0.00 -0.22 0.00 0.00 54.13 52.19 1a5k s LEU 74 Cb -0.14 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 1a5k s LEU 74 CO 0.20 -0.75 1.00 -0.63 -1.32 0.00 0.00 176.35 174.84 1a5k s ILE 75 N 1.43 4.62 -0.28 6.68 1.01 0.96 -0.81 121.20 134.82 1a5k s ILE 75 Ca 0.05 2.00 0.01 0.00 0.00 0.00 0.00 60.65 62.71 1a5k s ILE 75 Cb -0.27 -4.28 0.08 0.00 0.01 0.00 0.00 42.46 38.00 1a5k s ILE 75 CO 0.01 0.22 0.00 -0.69 0.00 0.00 0.00 174.94 174.48 1a5k s VAL 76 N 0.58 1.62 0.20 2.92 1.01 -0.98 -1.96 120.40 123.80 1a5k s VAL 76 Ca 0.51 -1.58 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 1a5k s VAL 76 Cb -0.23 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1a5k s VAL 76 CO 0.29 -0.35 0.16 -0.62 0.00 0.00 0.00 175.10 174.58 1a5k s ASP 77 N 1.30 0.13 0.63 3.32 2.15 -0.64 -4.60 116.67 118.95 1a5k s ASP 77 Ca 0.02 -1.32 0.35 0.00 0.43 0.00 0.00 52.55 52.03 1a5k s ASP 77 Cb -0.19 0.40 2.00 0.00 -0.30 0.00 0.00 42.92 44.83 1a5k s ASP 77 CO -0.11 -0.87 2.24 1.12 -0.17 0.00 0.00 175.17 177.39 1a5k h HIS 78 N 2.60 0.00 0.00 -5.34 2.07 -1.93 -2.22 115.15 110.32 1a5k h HIS 78 Ca -0.35 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.17 1a5k h HIS 78 Cb 1.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.23 1a5k h HIS 78 CO 0.36 0.00 -0.90 -2.67 -3.07 0.00 0.00 177.93 171.66 1a5k n TRP 79 N -3.48 0.17 0.00 6.12 4.27 -1.26 -4.92 117.44 118.35 1a5k n TRP 79 Ca -0.02 0.05 0.00 0.00 -3.89 0.00 0.00 57.50 53.64 1a5k n TRP 79 Cb 0.16 -0.33 0.00 0.00 -1.36 0.00 0.00 31.31 29.77 1a5k n TRP 79 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1a5k n GLY 80 N 1.42 1.32 2.79 -1.67 0.00 -0.84 -5.06 105.19 103.15 1a5k n GLY 80 Ca 0.03 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 1a5k n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a5k s ILE 81 N -2.00 1.86 0.27 -0.61 1.01 -1.26 -1.62 121.20 118.86 1a5k s ILE 81 Ca 0.00 -2.95 0.06 0.00 0.00 0.00 0.00 60.65 57.76 1a5k s ILE 81 Cb 0.00 -2.29 -0.06 0.00 0.01 0.00 0.00 42.46 40.12 1a5k s ILE 81 CO 0.00 -0.89 -0.04 0.68 0.00 0.00 0.00 174.94 174.69 1a5k s VAL 82 N -0.02 1.53 -0.19 2.92 -7.23 -0.83 -0.82 120.40 115.76 1a5k s VAL 82 Ca 0.19 -2.10 -0.07 0.00 -1.81 0.00 0.00 61.98 58.18 1a5k s VAL 82 Cb -0.22 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1a5k s VAL 82 CO -0.02 -0.29 0.05 -0.75 -0.31 0.00 0.00 175.10 173.78 1a5k s LYS 83 N -3.75 3.86 0.11 4.82 2.47 0.14 -0.03 119.74 127.37 1a5k s LYS 83 Ca 0.30 -0.40 -0.26 0.00 -1.56 0.00 0.00 55.97 54.05 1a5k s LYS 83 Cb 0.04 -3.20 0.08 0.00 -1.46 0.00 0.00 37.83 33.29 1a5k s LYS 83 CO 0.11 0.16 1.04 0.00 0.16 0.00 0.00 175.35 176.83 1a5k s ALA 84 N 0.65 -1.79 0.08 3.13 0.00 -0.20 -1.35 121.76 122.28 1a5k s ALA 84 Ca 0.03 0.25 -0.09 0.00 0.00 0.00 0.00 51.96 52.14 1a5k s ALA 84 Cb -0.13 0.58 -0.06 0.00 0.00 0.00 0.00 23.12 23.51 1a5k s ALA 84 CO 0.02 -1.05 0.39 -0.51 0.00 0.00 0.00 175.76 174.61 1a5k s ASP 85 N -2.96 6.62 -0.13 0.00 1.01 -0.62 -0.70 116.67 119.89 1a5k s ASP 85 Ca 0.13 0.76 0.01 0.00 0.71 0.00 0.00 52.55 54.16 1a5k s ASP 85 Cb 0.00 -2.16 -0.01 0.00 1.01 0.00 0.00 42.92 41.76 1a5k s ASP 85 CO 0.01 0.17 -0.16 -0.63 0.21 0.00 0.00 175.17 174.76 1a5k s ILE 86 N -1.41 2.70 -0.13 0.77 1.01 -0.18 -1.53 121.20 122.44 1a5k s ILE 86 Ca 0.33 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 60.15 1a5k s ILE 86 Cb -0.14 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 1a5k s ILE 86 CO 0.18 0.53 0.03 -0.83 0.00 0.00 0.00 174.94 174.85 1a5k s GLY 87 N 0.45 1.88 -0.10 6.18 0.00 0.26 -0.69 107.32 115.29 1a5k s GLY 87 Ca -0.12 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 43.85 1a5k s GLY 87 CO 0.05 -0.26 -0.17 0.14 0.00 0.00 0.00 173.10 172.87 1a5k s VAL 88 N -0.26 1.60 -0.02 1.40 1.01 0.26 -0.15 120.40 124.24 1a5k s VAL 88 Ca 0.07 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1a5k s VAL 88 Cb -0.12 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 34.84 1a5k s VAL 88 CO 0.02 0.46 0.04 -0.75 0.00 0.00 0.00 175.10 174.87 1a5k s LYS 89 N 0.77 0.00 -1.76 2.72 2.20 -0.18 -0.84 119.74 122.66 1a5k s LYS 89 Ca -0.11 0.16 -0.00 0.00 -0.36 0.00 0.00 55.97 55.65 1a5k s LYS 89 Cb -0.16 -0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.02 1a5k s LYS 89 CO 0.02 -0.11 0.06 -0.25 -0.36 0.00 0.00 175.35 174.70 1a5k n ASP 90 N 3.79 -5.92 0.00 1.43 8.00 -1.26 -1.61 116.55 120.98 1a5k n ASP 90 Ca -0.22 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.23 1a5k n ASP 90 Cb 0.54 -4.91 0.00 0.00 -0.02 0.00 0.00 41.12 36.73 1a5k n ASP 90 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a5k n GLY 91 N -1.07 0.69 3.36 0.44 0.00 -1.26 -5.01 105.19 102.35 1a5k n GLY 91 Ca -0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 1a5k n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5k s ARG 92 N -0.19 1.37 -0.19 1.61 0.52 -0.63 -0.62 118.95 120.81 1a5k s ARG 92 Ca 0.00 -1.50 -0.29 0.00 -0.52 0.00 0.00 55.73 53.42 1a5k s ARG 92 Cb 0.00 -1.41 -0.03 0.00 0.52 0.00 0.00 34.95 34.03 1a5k s ARG 92 CO 0.00 0.28 1.65 0.42 0.02 0.00 0.00 175.30 177.67 1a5k s ILE 93 N -2.24 3.64 -0.15 1.52 1.01 0.17 -1.01 121.20 124.14 1a5k s ILE 93 Ca 0.19 0.73 -0.26 0.00 0.00 0.00 0.00 60.65 61.32 1a5k s ILE 93 Cb -0.05 -3.62 -0.25 0.00 0.01 0.00 0.00 42.46 38.55 1a5k s ILE 93 CO 0.08 -0.23 0.62 0.15 0.00 0.00 0.00 174.94 175.56 1a5k h PHE 94 N 10.69 0.08 -2.40 3.97 3.57 -0.83 0.18 116.94 132.20 1a5k h PHE 94 Ca -0.35 -0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.20 1a5k h PHE 94 Cb 1.16 -0.00 -0.14 0.00 2.79 0.00 0.00 35.95 39.76 1a5k h PHE 94 CO 0.91 1.19 0.45 0.00 -2.23 0.00 0.00 178.31 178.63 1a5k s ALA 95 N -2.29 -1.76 -0.25 2.41 0.00 -1.09 -4.79 121.76 113.99 1a5k s ALA 95 Ca -0.21 0.78 0.01 0.00 0.00 0.00 0.00 51.96 52.54 1a5k s ALA 95 Cb 0.00 0.52 0.07 0.00 0.00 0.00 0.00 23.12 23.71 1a5k s ALA 95 CO 0.68 -0.76 -0.02 0.42 0.00 0.00 0.00 175.76 176.08 1a5k s ILE 96 N -3.25 1.50 0.00 0.00 1.01 -1.26 -0.58 121.20 118.63 1a5k s ILE 96 Ca 0.06 -1.35 0.00 0.00 0.00 0.00 0.00 60.65 59.35 1a5k s ILE 96 Cb -0.01 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.60 1a5k s ILE 96 CO -0.08 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.24 1a5k n GLY 97 N 4.66 1.55 3.15 6.18 0.00 -0.58 -4.96 105.19 115.19 1a5k n GLY 97 Ca -0.09 0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1a5k n GLY 97 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a5k s LYS 98 N 4.05 2.74 0.36 1.61 2.36 -1.26 -1.59 119.74 128.00 1a5k s LYS 98 Ca 0.00 -1.03 -0.07 0.00 -2.55 0.00 0.00 55.97 52.32 1a5k s LYS 98 Cb 0.00 -2.87 -0.05 0.00 -1.05 0.00 0.00 37.83 33.85 1a5k s LYS 98 CO 0.00 -0.40 0.66 0.00 1.55 0.00 0.00 175.35 177.17 1a5k s ALA 99 N 1.27 3.49 0.00 3.13 0.00 -1.26 0.11 121.76 128.50 1a5k s ALA 99 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1a5k s ALA 99 Cb -0.17 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1a5k s ALA 99 CO -0.06 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.18 1a5k n GLY 100 N -1.23 -0.03 3.17 0.00 0.00 -0.47 -4.66 105.19 101.96 1a5k n GLY 100 Ca 0.00 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 1a5k n GLY 100 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a5k s ASN 101 N -4.00 4.80 0.60 1.61 2.47 -1.21 -1.54 114.94 117.66 1a5k s ASN 101 Ca 0.00 -1.24 0.36 0.00 0.42 0.00 0.00 52.86 52.40 1a5k s ASN 101 Cb 0.00 -1.69 1.97 0.00 -1.45 0.00 0.00 41.25 40.07 1a5k s ASN 101 CO 0.00 -0.24 2.10 -0.65 -3.72 0.00 0.00 177.10 174.59 1a5k h PRO 102 N 7.98 0.00 -0.43 0.43 0.11 -1.92 0.28 132.00 138.45 1a5k h PRO 102 Ca -0.22 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.81 1a5k h PRO 102 Cb 1.06 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1a5k h PRO 102 CO 0.53 0.00 -0.06 -0.44 -0.21 0.00 0.00 178.00 177.82 1a5k h ASP 103 N 0.00 0.72 0.00 -2.05 3.32 -1.93 -3.37 116.42 113.11 1a5k h ASP 103 Ca 0.00 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1a5k h ASP 103 Cb 0.20 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1a5k h ASP 103 CO 0.00 0.83 -0.10 2.30 -1.72 0.00 0.00 179.24 180.55 1a5k n ILE 104 N -4.19 0.00 -4.16 0.35 -5.35 -0.87 -5.07 119.36 100.06 1a5k n ILE 104 Ca 0.02 -0.27 -0.30 0.00 -0.27 0.00 0.00 62.75 61.93 1a5k n ILE 104 Cb 0.33 0.89 -0.08 0.00 -1.74 0.00 0.00 39.64 39.04 1a5k n ILE 104 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1a5k s GLN 105 N -0.74 2.56 0.36 6.28 -0.21 0.03 -5.08 119.66 122.87 1a5k s GLN 105 Ca 0.00 -0.81 -0.11 0.00 0.02 0.00 0.00 55.36 54.46 1a5k s GLN 105 Cb 0.00 -2.54 -0.07 0.00 1.00 0.00 0.00 33.01 31.40 1a5k s GLN 105 CO 0.00 0.55 0.72 -1.25 -2.12 0.00 0.00 175.29 173.19 1a5k s PRO 106 N -2.18 3.81 -1.21 2.91 0.04 -1.26 -4.43 135.00 132.67 1a5k s PRO 106 Ca 0.24 0.43 -0.00 0.00 0.04 0.00 0.00 61.00 61.72 1a5k s PRO 106 Cb -0.12 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1a5k s PRO 106 CO 0.17 0.06 0.01 0.09 0.04 0.00 0.00 177.00 177.37 1a5k n ASN 107 N -0.97 -4.34 -4.67 6.66 4.13 -1.26 -4.94 115.26 109.87 1a5k n ASN 107 Ca 0.02 0.14 -0.43 0.00 1.68 0.00 0.00 54.58 56.00 1a5k n ASN 107 Cb 0.54 -3.66 -0.02 0.00 -1.54 0.00 0.00 39.78 35.09 1a5k n ASN 107 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1a5k s VAL 108 N -2.71 4.26 -0.10 2.41 1.01 -1.26 -4.49 120.40 119.53 1a5k s VAL 108 Ca 0.01 1.56 0.07 0.00 0.00 0.00 0.00 61.98 63.61 1a5k s VAL 108 Cb -0.00 -4.00 -0.10 0.00 0.00 0.00 0.00 36.38 32.28 1a5k s VAL 108 CO 0.01 -0.08 0.19 0.35 0.00 0.00 0.00 175.10 175.57 1a5k n THR 109 N 5.07 0.00 -3.97 3.92 -2.24 0.12 -4.85 114.28 112.32 1a5k n THR 109 Ca 0.13 -0.21 -0.30 0.00 -2.27 0.00 0.00 64.05 61.39 1a5k n THR 109 Cb 0.45 0.54 -0.14 0.00 -2.10 0.00 0.00 70.33 69.07 1a5k n THR 109 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1a5k s ILE 110 N -2.23 2.37 0.15 2.28 1.01 -0.62 -4.92 121.20 119.24 1a5k s ILE 110 Ca -0.01 -2.82 -0.30 0.00 0.00 0.00 0.00 60.65 57.51 1a5k s ILE 110 Cb 0.05 -2.69 -0.08 0.00 0.01 0.00 0.00 42.46 39.74 1a5k s ILE 110 CO 0.28 -0.71 1.31 -2.16 0.00 0.00 0.00 174.94 173.66 1a5k s PRO 111 N 0.30 4.38 -0.18 2.79 0.04 -1.26 -1.37 135.00 139.71 1a5k s PRO 111 Ca 0.14 2.00 -0.05 0.00 0.04 0.00 0.00 61.00 63.14 1a5k s PRO 111 Cb -0.23 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.05 1a5k s PRO 111 CO -0.04 -0.30 -0.01 0.42 0.04 0.00 0.00 177.00 177.11 1a5k s ILE 112 N 0.55 3.97 0.00 0.56 1.01 -0.59 -2.17 121.20 124.52 1a5k s ILE 112 Ca 0.59 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.92 1a5k s ILE 112 Cb -0.35 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.35 1a5k s ILE 112 CO 0.34 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.35 1a5k n GLY 113 N 3.89 4.25 0.30 6.18 0.00 -1.26 0.25 105.19 118.80 1a5k n GLY 113 Ca -0.17 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.20 1a5k n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5k h ALA 114 N 1.00 2.04 -0.23 4.61 0.00 -1.80 -1.31 119.26 123.57 1a5k h ALA 114 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1a5k h ALA 114 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1a5k h ALA 114 CO 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.06 1a5k n ALA 115 N -2.51 2.52 -2.80 0.00 0.00 -1.26 -4.87 120.51 111.59 1a5k n ALA 115 Ca 0.00 -0.43 -0.36 0.00 0.00 0.00 0.00 53.44 52.65 1a5k n ALA 115 Cb 0.24 -0.99 -0.11 0.00 0.00 0.00 0.00 19.45 18.59 1a5k n ALA 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1a5k s THR 116 N -1.67 4.90 0.38 0.00 2.01 -0.50 -4.47 115.64 116.30 1a5k s THR 116 Ca 0.16 0.02 -0.06 0.00 0.31 0.00 0.00 61.69 62.12 1a5k s THR 116 Cb 0.09 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 1a5k s THR 116 CO 0.10 0.36 0.68 -0.70 -0.69 0.00 0.00 174.62 174.37 1a5k s GLU 117 N 1.16 3.64 -0.04 4.92 2.56 0.12 -4.88 118.70 126.19 1a5k s GLU 117 Ca 0.06 0.18 0.04 0.00 0.00 0.00 0.00 54.97 55.24 1a5k s GLU 117 Cb -0.14 -2.49 -0.00 0.00 2.00 0.00 0.00 34.13 33.49 1a5k s GLU 117 CO 0.04 0.02 -0.16 0.08 -0.56 0.00 0.00 175.26 174.68 1a5k s VAL 118 N -2.37 1.32 -0.16 3.70 1.01 -1.26 -1.72 120.40 120.91 1a5k s VAL 118 Ca 0.47 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1a5k s VAL 118 Cb -0.10 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.16 1a5k s VAL 118 CO 0.35 0.38 -0.18 -0.63 0.00 0.00 0.00 175.10 175.02 1a5k s ILE 119 N 0.11 1.87 -0.47 2.22 1.01 -0.51 -4.97 121.20 120.45 1a5k s ILE 119 Ca -0.05 -0.83 -0.27 0.00 0.00 0.00 0.00 60.65 59.51 1a5k s ILE 119 Cb -0.11 -1.71 0.03 0.00 0.01 0.00 0.00 42.46 40.68 1a5k s ILE 119 CO 0.02 0.51 1.01 0.00 0.00 0.00 0.00 174.94 176.48 1a5k s ALA 120 N 1.30 3.20 -1.28 9.38 0.00 -1.26 -1.85 121.76 131.24 1a5k s ALA 120 Ca 0.03 -0.69 0.15 0.00 0.00 0.00 0.00 51.96 51.45 1a5k s ALA 120 Cb -0.13 -3.75 0.41 0.00 0.00 0.00 0.00 23.12 19.65 1a5k s ALA 120 CO -0.11 -2.16 1.34 0.00 0.00 0.00 0.00 175.76 174.83 1a5k n ALA 121 N 7.46 2.25 -1.78 0.00 0.00 -0.28 -4.93 120.51 123.22 1a5k n ALA 121 Ca 0.08 -1.18 -0.42 0.00 0.00 0.00 0.00 53.44 51.92 1a5k n ALA 121 Cb 0.49 -0.59 -0.03 0.00 0.00 0.00 0.00 19.45 19.32 1a5k n ALA 121 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1a5k s GLU 122 N -1.01 4.16 0.00 0.00 1.03 -0.97 -1.22 118.70 120.69 1a5k s GLU 122 Ca 0.31 2.49 0.00 0.00 0.03 0.00 0.00 54.97 57.80 1a5k s GLU 122 Cb 0.16 -3.88 0.00 0.00 -0.80 0.00 0.00 34.13 29.61 1a5k s GLU 122 CO 0.21 -0.87 0.00 0.41 -1.33 0.00 0.00 175.26 173.69 1a5k n GLY 123 N 4.30 0.75 3.58 -3.83 0.00 -1.26 -4.78 105.19 103.96 1a5k n GLY 123 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1a5k n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5k s LYS 124 N -0.45 2.06 -0.15 1.61 -0.14 -0.36 -4.36 119.74 117.95 1a5k s LYS 124 Ca 0.00 -1.57 -0.05 0.00 -1.36 0.00 0.00 55.97 53.00 1a5k s LYS 124 Cb 0.00 -2.01 -0.03 0.00 -1.68 0.00 0.00 37.83 34.11 1a5k s LYS 124 CO 0.00 0.33 0.01 0.42 -0.76 0.00 0.00 175.35 175.36 1a5k s ILE 125 N -2.40 4.36 -0.11 2.17 1.01 0.54 -2.25 121.20 124.52 1a5k s ILE 125 Ca 0.31 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.78 1a5k s ILE 125 Cb -0.05 -2.92 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 1a5k s ILE 125 CO 0.18 0.51 -0.15 -0.69 0.00 0.00 0.00 174.94 174.79 1a5k s VAL 126 N 0.06 2.88 0.25 2.92 1.01 0.01 -0.13 120.40 127.40 1a5k s VAL 126 Ca 0.03 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1a5k s VAL 126 Cb -0.13 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 1a5k s VAL 126 CO 0.02 0.54 0.06 0.42 0.00 0.00 0.00 175.10 176.14 1a5k s THR 127 N 0.18 0.73 0.66 3.92 -4.23 -0.60 -2.31 115.64 113.98 1a5k s THR 127 Ca -0.09 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.30 1a5k s THR 127 Cb -0.15 -2.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.16 1a5k s THR 127 CO 0.05 -0.14 1.05 0.00 -0.54 0.00 0.00 174.62 175.04 1a5k s ALA 128 N -3.63 2.78 0.37 3.99 0.00 -1.26 -1.12 121.76 122.89 1a5k s ALA 128 Ca 0.34 0.11 -0.26 0.00 0.00 0.00 0.00 51.96 52.15 1a5k s ALA 128 Cb 0.07 -3.16 -0.09 0.00 0.00 0.00 0.00 23.12 19.94 1a5k s ALA 128 CO 0.11 -1.01 1.10 0.20 0.00 0.00 0.00 175.76 176.17 1a5k s GLY 129 N -3.66 2.86 0.84 0.00 0.00 -0.54 -4.62 107.32 102.21 1a5k s GLY 129 Ca 0.58 0.84 -0.11 0.00 0.00 0.00 0.00 44.72 46.03 1a5k s GLY 129 CO 0.51 1.34 1.09 -0.32 0.00 0.00 0.00 173.10 175.72 1a5k s GLY 130 N -1.26 1.65 -0.15 0.20 0.00 0.61 -4.60 107.32 103.76 1a5k s GLY 130 Ca 0.54 0.13 -0.02 0.00 0.00 0.00 0.00 44.72 45.37 1a5k s GLY 130 CO 0.34 0.56 0.03 -0.42 0.00 0.00 0.00 173.10 173.61 1a5k s ILE 131 N -2.89 0.45 -0.31 0.90 1.01 -0.20 -0.82 121.20 119.34 1a5k s ILE 131 Ca 0.63 -0.33 -0.11 0.00 0.00 0.00 0.00 60.65 60.84 1a5k s ILE 131 Cb -0.18 -0.86 -0.02 0.00 0.01 0.00 0.00 42.46 41.41 1a5k s ILE 131 CO 0.57 -0.06 0.18 -0.62 0.00 0.00 0.00 174.94 175.00 1a5k s ASP 132 N 1.91 5.76 -0.31 3.58 -1.08 -0.81 -4.71 116.67 121.00 1a5k s ASP 132 Ca 0.01 -0.34 0.11 0.00 -0.52 0.00 0.00 52.55 51.81 1a5k s ASP 132 Cb -0.15 -2.06 0.75 0.00 -1.46 0.00 0.00 42.92 40.00 1a5k s ASP 132 CO -0.07 -0.15 1.79 0.35 0.52 0.00 0.00 175.17 177.61 1a5k n THR 133 N 5.03 2.91 -3.08 1.71 -2.24 -1.26 -0.63 114.28 116.71 1a5k n THR 133 Ca -0.14 -1.64 -0.17 0.00 -2.27 0.00 0.00 64.05 59.83 1a5k n THR 133 Cb 0.50 -0.35 -0.01 0.00 -2.10 0.00 0.00 70.33 68.37 1a5k n THR 133 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1a5k n HIS 134 N -0.08 -0.70 -3.87 4.78 -0.00 -1.01 -4.69 115.22 109.66 1a5k n HIS 134 Ca 0.39 -3.34 -0.36 0.00 -0.00 0.00 0.00 57.72 54.42 1a5k n HIS 134 Cb 1.35 0.07 -0.07 0.00 -0.00 0.00 0.00 29.99 31.34 1a5k n HIS 134 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1a5k s ILE 135 N -1.47 5.30 -0.29 3.57 -1.09 -0.31 -1.79 121.20 125.11 1a5k s ILE 135 Ca 0.35 0.14 -0.08 0.00 -2.23 0.00 0.00 60.65 58.83 1a5k s ILE 135 Cb 0.29 -3.36 -0.01 0.00 -1.58 0.00 0.00 42.46 37.81 1a5k s ILE 135 CO -0.09 0.53 0.11 -1.00 -1.23 0.00 0.00 174.94 173.25 1a5k s HIS 136 N -0.30 3.15 -1.32 3.97 3.76 -1.26 -1.76 115.29 121.53 1a5k s HIS 136 Ca 0.11 -0.70 -0.16 0.00 -0.15 0.00 0.00 55.06 54.16 1a5k s HIS 136 Cb -0.12 -2.29 0.01 0.00 1.11 0.00 0.00 32.58 31.29 1a5k s HIS 136 CO 0.01 -0.48 2.14 0.91 -0.85 0.00 0.00 174.74 176.47 1a5k n TRP 137 N 4.93 3.31 0.06 1.40 7.02 -0.27 -4.52 117.44 129.37 1a5k n TRP 137 Ca -0.15 -2.74 -0.07 0.00 -1.02 0.00 0.00 57.50 53.52 1a5k n TRP 137 Cb 0.49 -2.42 -0.11 0.00 -2.42 0.00 0.00 31.31 26.85 1a5k n TRP 137 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1a5k h ILE 138 N 4.22 1.71 -2.17 -0.99 2.04 -1.87 -0.93 117.51 119.52 1a5k h ILE 138 Ca 0.53 -3.40 -0.07 0.00 1.00 0.00 0.00 64.86 62.92 1a5k h ILE 138 Cb 0.66 2.84 -0.19 0.00 -0.74 0.00 0.00 36.82 39.39 1a5k h ILE 138 CO 1.87 0.97 0.11 0.00 0.00 0.00 0.00 178.15 181.10 1a5k h PRO 140 N 3.26 0.00 0.00 0.00 0.13 -1.98 -3.14 132.00 130.27 1a5k h PRO 140 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1a5k h PRO 140 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1a5k h PRO 140 CO 0.37 0.03 0.00 1.96 -0.23 0.00 0.00 178.00 180.14 1a5k h GLN 141 N 0.00 0.00 -0.37 0.86 7.50 -2.02 -2.71 115.11 118.37 1a5k h GLN 141 Ca -0.00 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.13 1a5k h GLN 141 Cb 0.47 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.98 1a5k h GLN 141 CO 0.00 0.00 0.13 1.96 -1.50 0.00 0.00 178.83 179.42 1a5k h GLN 142 N 0.00 0.52 -0.58 1.46 4.20 -1.97 -2.94 115.11 115.81 1a5k h GLN 142 Ca 0.00 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.65 1a5k h GLN 142 Cb 0.13 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 1a5k h GLN 142 CO 0.00 0.45 0.38 0.00 -0.67 0.00 0.00 178.83 178.99 1a5k h ALA 143 N 1.63 0.73 -0.32 3.87 0.00 -1.74 0.13 119.26 123.56 1a5k h ALA 143 Ca 0.13 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1a5k h ALA 143 Cb 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1a5k h ALA 143 CO -0.01 0.16 -0.08 1.49 0.00 0.00 0.00 179.25 180.81 1a5k h GLU 144 N 0.77 0.62 -0.36 0.00 4.81 -1.73 0.74 114.58 119.44 1a5k h GLU 144 Ca 0.21 -0.24 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1a5k h GLU 144 Cb -0.08 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1a5k h GLU 144 CO -0.05 0.80 0.18 1.49 -0.73 0.00 0.00 179.01 180.70 1a5k h GLU 145 N 0.40 0.36 -0.52 1.92 4.57 -1.34 -0.51 114.58 119.46 1a5k h GLU 145 Ca 0.08 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.16 1a5k h GLU 145 Cb 0.57 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 1a5k h GLU 145 CO 0.03 0.24 0.00 0.00 -1.18 0.00 0.00 179.01 178.10 1a5k h ALA 146 N 1.19 0.70 -0.64 2.92 0.00 -0.82 -2.88 119.26 119.73 1a5k h ALA 146 Ca 0.15 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1a5k h ALA 146 Cb 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1a5k h ALA 146 CO -0.11 0.51 0.28 1.25 0.00 0.00 0.00 179.25 181.18 1a5k h LEU 147 N 0.78 0.87 -1.55 0.00 5.85 -0.52 -1.79 115.31 118.95 1a5k h LEU 147 Ca 0.15 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1a5k h LEU 147 Cb 0.52 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1a5k h LEU 147 CO 0.03 0.78 0.11 0.58 -0.34 0.00 0.00 178.44 179.60 1a5k h VAL 148 N 0.89 1.12 0.00 1.05 2.07 -1.02 -2.05 116.25 118.32 1a5k h VAL 148 Ca 0.22 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1a5k h VAL 148 Cb 0.17 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1a5k h VAL 148 CO -0.02 0.14 0.00 0.77 0.02 0.00 0.00 177.57 178.48 1a5k h SER 149 N 0.41 0.00 0.00 0.57 4.64 -1.21 -3.39 113.55 114.56 1a5k h SER 149 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1a5k h SER 149 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1a5k h SER 149 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 1a5k n GLY 150 N 0.76 1.59 3.51 -0.77 0.00 -0.77 -4.85 105.19 104.66 1a5k n GLY 150 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1a5k n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a5k s VAL 151 N -2.00 4.71 -1.70 1.61 1.01 -0.72 -0.29 120.40 123.03 1a5k s VAL 151 Ca 0.00 -0.04 0.19 0.00 0.00 0.00 0.00 61.98 62.13 1a5k s VAL 151 Cb 0.00 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 1a5k s VAL 151 CO 0.00 0.31 0.95 0.35 0.00 0.00 0.00 175.10 176.71 1a5k n THR 152 N 4.88 0.00 -4.15 3.92 -2.24 -0.00 -3.59 114.28 113.10 1a5k n THR 152 Ca -0.15 -0.30 -0.18 0.00 -2.27 0.00 0.00 64.05 61.15 1a5k n THR 152 Cb 0.52 1.21 -0.16 0.00 -2.10 0.00 0.00 70.33 69.80 1a5k n THR 152 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1a5k s THR 153 N -2.17 0.46 -0.11 4.28 2.01 -1.06 -0.98 115.64 118.08 1a5k s THR 153 Ca 0.15 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1a5k s THR 153 Cb 0.15 -0.46 0.02 0.00 0.01 0.00 0.00 72.50 72.23 1a5k s THR 153 CO 0.49 0.18 -0.10 -0.04 -0.69 0.00 0.00 174.62 174.46 1a5k s MET 154 N 0.53 1.67 -0.09 4.92 -1.94 0.54 -1.93 119.30 123.00 1a5k s MET 154 Ca -0.06 -0.33 0.03 0.00 -1.71 0.00 0.00 55.69 53.61 1a5k s MET 154 Cb -0.10 -1.62 -0.01 0.00 2.01 0.00 0.00 34.83 35.11 1a5k s MET 154 CO -0.00 -0.20 -0.18 0.08 -0.01 0.00 0.00 175.02 174.71 1a5k s VAL 155 N 1.44 2.64 -2.80 -6.03 1.01 0.20 -2.95 120.40 113.90 1a5k s VAL 155 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1a5k s VAL 155 Cb -0.13 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.20 1a5k s VAL 155 CO -0.06 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1a5k n GLY 156 N 3.19 -0.60 3.82 4.51 0.00 -1.10 -1.17 105.19 113.84 1a5k n GLY 156 Ca -0.18 -0.64 -0.05 0.00 0.00 0.00 0.00 46.02 45.14 1a5k n GLY 156 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a5k s GLY 157 N 0.00 0.03 0.00 -0.02 0.00 -0.72 -0.86 107.32 105.74 1a5k s GLY 157 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.44 1a5k s GLY 157 CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 173.10 174.25 1a5k n GLY 158 N -0.54 2.27 0.00 0.20 0.00 -1.22 -1.11 105.19 104.79 1a5k n GLY 158 Ca -0.05 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1a5k n GLY 158 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a5k n THR 159 N -1.83 0.01 0.00 2.61 -2.24 -1.25 -4.70 114.28 106.88 1a5k n THR 159 Ca 0.00 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1a5k n THR 159 Cb 0.00 1.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 1a5k n THR 159 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a5k n GLY 160 N -0.01 0.75 2.47 3.38 0.00 -0.35 -4.89 105.19 106.54 1a5k n GLY 160 Ca 0.00 -2.09 -0.24 0.00 0.00 0.00 0.00 46.02 43.68 1a5k n GLY 160 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a5k n PRO 161 N 0.00 2.41 -4.14 1.61 -0.04 -0.80 -4.38 135.00 129.67 1a5k n PRO 161 Ca 0.00 -1.54 -0.26 0.00 -0.04 0.00 0.00 63.50 61.65 1a5k n PRO 161 Cb 0.00 -2.46 -0.06 0.00 -0.04 0.00 0.00 33.50 30.94 1a5k n PRO 161 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a5k s ALA 162 N 2.84 3.41 0.24 0.55 0.00 -1.26 -4.97 121.76 122.56 1a5k s ALA 162 Ca 0.48 -1.28 -0.06 0.00 0.00 0.00 0.00 51.96 51.11 1a5k s ALA 162 Cb 0.14 -1.20 0.44 0.00 0.00 0.00 0.00 23.12 22.50 1a5k s ALA 162 CO -0.04 0.49 1.68 0.00 0.00 0.00 0.00 175.76 177.90 1a5k h ALA 163 N 2.53 0.91 -0.66 0.00 0.00 -1.99 0.35 119.26 120.40 1a5k h ALA 163 Ca -0.47 0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.65 1a5k h ALA 163 Cb 1.20 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 1a5k h ALA 163 CO 0.61 -0.35 0.39 0.78 0.00 0.00 0.00 179.25 180.68 1a5k h GLY 164 N 0.25 0.96 2.00 0.00 0.00 -1.94 -2.24 103.07 102.10 1a5k h GLY 164 Ca 0.41 -0.29 -0.15 0.00 0.00 0.00 0.00 47.33 47.30 1a5k h GLY 164 CO -0.52 0.21 -0.72 -0.84 0.00 0.00 0.00 176.54 174.67 1a5k h THR 165 N 0.75 1.47 -0.92 4.70 2.02 -1.50 0.18 112.91 119.60 1a5k h THR 165 Ca 0.28 -2.52 0.05 0.00 0.77 0.00 0.00 66.41 64.99 1a5k h THR 165 Cb 0.10 2.38 -0.06 0.00 -1.74 0.00 0.00 68.15 68.83 1a5k h THR 165 CO -0.14 0.71 0.59 0.45 0.37 0.00 0.00 175.52 177.50 1a5k h HIS 166 N 0.00 1.11 0.01 3.16 3.86 -0.37 -3.24 115.15 119.67 1a5k h HIS 166 Ca -0.01 0.03 -0.36 0.00 -1.16 0.00 0.00 60.37 58.88 1a5k h HIS 166 Cb 1.32 -0.36 -0.06 0.00 1.06 0.00 0.00 27.41 29.36 1a5k h HIS 166 CO 0.00 0.60 -2.23 0.00 0.86 0.00 0.00 177.93 177.16 1a5k n ALA 167 N -2.36 1.45 -2.53 2.45 0.00 -1.01 -4.59 120.51 113.92 1a5k n ALA 167 Ca 0.13 -1.13 -0.24 0.00 0.00 0.00 0.00 53.44 52.20 1a5k n ALA 167 Cb 0.13 -0.35 -0.11 0.00 0.00 0.00 0.00 19.45 19.13 1a5k n ALA 167 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1a5k s THR 168 N -2.52 1.58 -0.49 0.00 -4.23 0.63 -4.97 115.64 105.63 1a5k s THR 168 Ca -0.14 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 58.39 1a5k s THR 168 Cb 0.07 -2.87 0.45 0.00 1.34 0.00 0.00 72.50 71.49 1a5k s THR 168 CO 0.79 -0.02 1.58 0.35 -0.54 0.00 0.00 174.62 176.78 1a5k n THR 169 N -0.81 3.04 -4.02 3.99 -2.24 -1.26 -4.22 114.28 108.76 1a5k n THR 169 Ca -0.04 -3.75 -0.35 0.00 -2.27 0.00 0.00 64.05 57.65 1a5k n THR 169 Cb 0.67 -1.16 -0.10 0.00 -2.10 0.00 0.00 70.33 67.64 1a5k n THR 169 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5k s THR 171 N 0.28 4.96 -0.17 0.00 2.01 -0.67 -3.43 115.64 118.62 1a5k s THR 171 Ca 0.04 -2.26 -0.29 0.00 0.31 0.00 0.00 61.69 59.49 1a5k s THR 171 Cb -0.12 -4.14 -0.05 0.00 0.01 0.00 0.00 72.50 68.19 1a5k s THR 171 CO 0.00 -0.93 2.02 -2.84 -0.69 0.00 0.00 174.62 172.19 1a5k s PRO 172 N 0.60 3.48 0.36 4.92 0.02 -1.26 -3.87 135.00 139.24 1a5k s PRO 172 Ca 0.13 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.18 1a5k s PRO 172 Cb -0.18 -4.26 0.00 0.00 0.02 0.00 0.00 34.50 30.08 1a5k s PRO 172 CO -0.04 -1.70 0.00 0.41 -0.33 0.00 0.00 177.00 175.34 1a5k n GLY 173 N 5.28 -2.71 0.28 0.52 0.00 -1.26 -4.01 105.19 103.30 1a5k n GLY 173 Ca 0.25 -1.21 0.07 0.00 0.00 0.00 0.00 46.02 45.13 1a5k n GLY 173 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a5k h PRO 174 N -0.93 0.15 0.25 1.61 0.11 -1.90 -0.34 132.00 130.95 1a5k h PRO 174 Ca -0.09 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 1a5k h PRO 174 Cb 0.91 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1a5k h PRO 174 CO 0.04 0.10 -0.12 2.35 -0.21 0.00 0.00 178.00 180.16 1a5k h TRP 175 N 0.15 -0.31 -0.24 0.65 7.01 -1.99 -0.12 115.95 121.09 1a5k h TRP 175 Ca 0.45 -0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.36 1a5k h TRP 175 Cb 0.81 0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.96 1a5k h TRP 175 CO -0.36 -0.04 -0.19 1.88 -2.79 0.00 0.00 178.44 176.94 1a5k h TYR 176 N -0.57 0.45 -0.26 2.65 0.05 -1.63 -0.79 116.97 116.87 1a5k h TYR 176 Ca -0.03 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.65 1a5k h TYR 176 Cb 0.42 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 1a5k h TYR 176 CO 0.00 0.58 0.08 0.82 -1.05 0.00 0.00 178.16 178.60 1a5k h ILE 177 N 0.38 1.20 -0.69 -2.88 2.04 -0.95 0.35 117.51 116.96 1a5k h ILE 177 Ca 0.07 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1a5k h ILE 177 Cb 0.55 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 1a5k h ILE 177 CO 0.04 0.21 0.40 0.28 0.00 0.00 0.00 178.15 179.08 1a5k h SER 178 N 0.26 0.85 -0.38 1.72 0.02 -0.73 -0.23 113.55 115.05 1a5k h SER 178 Ca 0.08 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1a5k h SER 178 Cb 0.25 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1a5k h SER 178 CO -0.00 0.68 0.18 0.03 -1.14 0.00 0.00 176.83 176.57 1a5k h ARG 179 N 0.95 0.56 -0.10 3.45 -0.00 -0.83 -2.22 114.38 116.18 1a5k h ARG 179 Ca 0.25 -0.09 -0.12 0.00 -0.50 0.00 0.00 59.98 59.52 1a5k h ARG 179 Cb -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 29.97 29.86 1a5k h ARG 179 CO -0.04 0.51 -0.48 0.52 0.00 0.00 0.00 179.97 180.47 1a5k h MET 180 N 0.48 0.26 -0.62 0.04 2.86 -0.60 -1.27 114.93 116.08 1a5k h MET 180 Ca 0.13 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.56 1a5k h MET 180 Cb 0.14 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 1a5k h MET 180 CO -0.01 0.68 0.10 -0.07 1.06 0.00 0.00 176.91 178.67 1a5k h LEU 181 N 0.21 0.96 -0.32 1.22 3.38 -0.86 -0.27 115.31 119.62 1a5k h LEU 181 Ca 0.01 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1a5k h LEU 181 Cb 0.92 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1a5k h LEU 181 CO 0.07 0.96 -0.15 1.56 0.09 0.00 0.00 178.44 180.97 1a5k h GLN 182 N 0.95 0.67 0.00 1.13 4.20 -1.13 -2.89 115.11 118.03 1a5k h GLN 182 Ca 0.19 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 1a5k h GLN 182 Cb 0.41 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1a5k h GLN 182 CO 0.01 0.88 -0.19 0.00 -0.67 0.00 0.00 178.83 178.86 1a5k h ALA 183 N 0.77 1.37 -0.05 3.87 0.00 -0.99 -2.98 119.26 121.25 1a5k h ALA 183 Ca 0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1a5k h ALA 183 Cb 0.68 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1a5k h ALA 183 CO 0.05 0.24 -0.09 0.00 0.00 0.00 0.00 179.25 179.45 1a5k h ALA 184 N 1.81 1.76 -0.01 0.00 0.00 -0.82 -2.33 119.26 119.67 1a5k h ALA 184 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1a5k h ALA 184 Cb 0.43 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1a5k h ALA 184 CO 0.03 0.18 0.06 -0.44 0.00 0.00 0.00 179.25 179.08 1a5k h ASP 185 N 0.07 0.00 0.74 0.00 3.32 -1.61 -0.86 116.42 118.08 1a5k h ASP 185 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1a5k h ASP 185 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1a5k h ASP 185 CO 0.01 0.00 -0.34 -1.20 -1.72 0.00 0.00 179.24 175.99 1a5k n SER 186 N -3.14 0.38 -4.79 6.45 7.64 -0.87 -4.70 113.62 114.58 1a5k n SER 186 Ca -0.03 0.06 -0.36 0.00 1.01 0.00 0.00 58.87 59.56 1a5k n SER 186 Cb 0.13 -0.04 -0.07 0.00 -1.01 0.00 0.00 64.21 63.22 1a5k n SER 186 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1a5k s LEU 187 N -3.22 4.29 0.00 -3.43 1.43 -0.33 -5.00 118.68 112.43 1a5k s LEU 187 Ca 0.11 0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.58 1a5k s LEU 187 Cb 0.17 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 44.27 1a5k s LEU 187 CO 0.65 0.27 0.61 -0.81 0.23 0.00 0.00 176.35 177.29 1a5k n PRO 188 N 2.86 0.79 -4.22 1.29 -0.04 -1.26 -4.81 135.00 129.61 1a5k n PRO 188 Ca -0.17 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.12 1a5k n PRO 188 Cb 0.53 -1.24 -0.11 0.00 -0.04 0.00 0.00 33.50 32.65 1a5k n PRO 188 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1a5k s VAL 189 N -0.34 1.18 0.33 0.52 -7.23 -1.26 -5.01 120.40 108.59 1a5k s VAL 189 Ca 0.00 -1.71 -0.28 0.00 -1.81 0.00 0.00 61.98 58.18 1a5k s VAL 189 Cb 0.00 -1.49 -0.09 0.00 0.56 0.00 0.00 36.38 35.36 1a5k s VAL 189 CO 0.00 -0.49 1.17 0.20 -0.31 0.00 0.00 175.10 175.67 1a5k s ASN 190 N -2.50 6.92 0.02 4.85 0.01 -0.15 -4.67 114.94 119.42 1a5k s ASN 190 Ca 0.08 2.40 0.02 0.00 -0.71 0.00 0.00 52.86 54.64 1a5k s ASN 190 Cb -0.04 -2.63 -0.01 0.00 0.41 0.00 0.00 41.25 38.98 1a5k s ASN 190 CO 0.02 -0.40 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.52 1a5k s ILE 191 N -1.24 0.41 -0.05 0.60 1.01 -0.57 -0.34 121.20 121.02 1a5k s ILE 191 Ca 0.49 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 1a5k s ILE 191 Cb -0.33 -0.43 0.02 0.00 0.01 0.00 0.00 42.46 41.72 1a5k s ILE 191 CO 0.43 -0.18 0.12 -0.83 0.00 0.00 0.00 174.94 174.48 1a5k s GLY 192 N -0.90 -0.05 0.12 6.18 0.00 -1.15 -0.73 107.32 110.79 1a5k s GLY 192 Ca -0.05 0.43 0.03 0.00 0.00 0.00 0.00 44.72 45.13 1a5k s GLY 192 CO 0.00 0.53 0.15 1.08 0.00 0.00 0.00 173.10 174.87 1a5k s LEU 193 N 0.49 3.98 -0.07 0.66 1.43 -1.26 -2.71 118.68 121.20 1a5k s LEU 193 Ca -0.04 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 1a5k s LEU 193 Cb -0.05 -2.60 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 1a5k s LEU 193 CO -0.02 0.11 -0.14 -0.76 0.23 0.00 0.00 176.35 175.78 1a5k s LEU 194 N -2.80 2.74 0.54 1.79 1.43 -0.04 -0.24 118.68 122.09 1a5k s LEU 194 Ca 0.32 -0.22 0.09 0.00 -1.03 0.00 0.00 54.13 53.29 1a5k s LEU 194 Cb -0.11 -1.57 0.07 0.00 0.03 0.00 0.00 46.19 44.60 1a5k s LEU 194 CO 0.24 0.30 0.72 -0.83 0.23 0.00 0.00 176.35 177.02 1a5k s GLY 195 N -0.47 1.81 -0.40 -3.19 0.00 -0.14 -1.67 107.32 103.25 1a5k s GLY 195 Ca 0.06 -2.01 -0.28 0.00 0.00 0.00 0.00 44.72 42.49 1a5k s GLY 195 CO 0.02 -1.65 1.06 1.25 0.00 0.00 0.00 173.10 173.77 1a5k s LYS 196 N -4.58 3.84 0.00 2.90 2.20 -1.25 -1.72 119.74 121.13 1a5k s LYS 196 Ca 0.59 0.69 0.19 0.00 -0.36 0.00 0.00 55.97 57.08 1a5k s LYS 196 Cb -0.06 -3.83 0.52 0.00 -1.51 0.00 0.00 37.83 32.95 1a5k s LYS 196 CO 0.37 -1.13 1.43 0.41 -0.36 0.00 0.00 175.35 176.07 1a5k n GLY 197 N 4.46 1.37 3.42 5.54 0.00 -0.62 -4.78 105.19 114.57 1a5k n GLY 197 Ca 0.10 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 1a5k n GLY 197 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a5k n ASN 198 N 1.06 5.01 -3.64 1.61 4.13 -1.26 -4.51 115.26 117.66 1a5k n ASN 198 Ca 0.18 -2.95 -0.14 0.00 1.68 0.00 0.00 54.58 53.35 1a5k n ASN 198 Cb 0.47 -1.65 -0.07 0.00 -1.54 0.00 0.00 39.78 37.00 1a5k n ASN 198 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1a5k s VAL 199 N 2.71 0.04 -0.80 2.41 1.01 -1.26 -4.99 120.40 119.52 1a5k s VAL 199 Ca 0.48 -0.33 0.15 0.00 0.00 0.00 0.00 61.98 62.28 1a5k s VAL 199 Cb 0.02 -0.88 0.54 0.00 0.00 0.00 0.00 36.38 36.06 1a5k s VAL 199 CO 0.03 -0.18 1.46 -1.20 0.00 0.00 0.00 175.10 175.20 1a5k n SER 200 N 0.76 3.95 -4.00 3.32 7.64 -1.26 -4.52 113.62 119.51 1a5k n SER 200 Ca -0.19 -2.46 -0.31 0.00 1.01 0.00 0.00 58.87 56.91 1a5k n SER 200 Cb 0.58 -0.46 -0.15 0.00 -1.01 0.00 0.00 64.21 63.17 1a5k n SER 200 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1a5k s GLN 201 N -1.85 1.79 0.26 1.43 2.00 -1.26 -5.00 119.66 117.02 1a5k s GLN 201 Ca 0.40 -1.40 -0.03 0.00 -2.00 0.00 0.00 55.36 52.34 1a5k s GLN 201 Cb 0.27 -2.85 0.55 0.00 0.80 0.00 0.00 33.01 31.78 1a5k s GLN 201 CO 0.18 -0.70 1.66 -1.35 -0.50 0.00 0.00 175.29 174.57 1a5k h PRO 202 N 7.79 0.20 -0.26 1.67 0.11 -1.91 -1.55 132.00 138.06 1a5k h PRO 202 Ca -0.14 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.03 1a5k h PRO 202 Cb 1.04 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1a5k h PRO 202 CO 0.47 0.13 0.19 -0.44 -0.21 0.00 0.00 178.00 178.14 1a5k h ASP 203 N 0.21 0.00 0.52 -2.05 3.32 -1.99 0.10 116.42 116.53 1a5k h ASP 203 Ca 0.47 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.47 1a5k h ASP 203 Cb 0.87 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 1a5k h ASP 203 CO -0.61 0.00 -0.24 0.00 -1.72 0.00 0.00 179.24 176.67 1a5k h ALA 204 N 1.87 1.24 0.09 3.45 0.00 -1.72 -2.24 119.26 121.95 1a5k h ALA 204 Ca 0.12 -0.22 -0.25 0.00 0.00 0.00 0.00 54.91 54.56 1a5k h ALA 204 Cb 0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1a5k h ALA 204 CO -0.00 0.30 -1.29 -0.07 0.00 0.00 0.00 179.25 178.19 1a5k h LEU 205 N 0.00 0.30 -0.91 0.00 3.38 -0.95 -3.34 115.31 113.79 1a5k h LEU 205 Ca -0.00 -0.82 0.11 0.00 0.09 0.00 0.00 57.88 57.25 1a5k h LEU 205 Cb 0.56 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.13 1a5k h LEU 205 CO 0.03 1.56 0.55 0.03 0.09 0.00 0.00 178.44 180.69 1a5k h ARG 206 N -0.44 0.85 -0.49 1.13 3.08 -1.06 -0.90 114.38 116.55 1a5k h ARG 206 Ca -0.29 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 59.76 1a5k h ARG 206 Cb 1.65 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 31.46 1a5k h ARG 206 CO 0.02 0.56 0.24 0.93 -1.07 0.00 0.00 179.97 180.66 1a5k h GLU 207 N 0.88 0.46 -0.47 0.04 5.08 -1.56 0.12 114.58 119.12 1a5k h GLU 207 Ca 0.45 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.76 1a5k h GLU 207 Cb 0.44 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1a5k h GLU 207 CO -0.26 0.30 0.22 1.96 -1.00 0.00 0.00 179.01 180.23 1a5k h GLN 208 N 0.47 0.69 -0.55 2.33 4.20 -1.32 0.16 115.11 121.09 1a5k h GLN 208 Ca 0.22 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 1a5k h GLN 208 Cb 0.14 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1a5k h GLN 208 CO -0.16 0.59 0.20 0.28 -0.67 0.00 0.00 178.83 179.06 1a5k h VAL 209 N 0.62 1.23 0.00 -0.54 2.07 -0.85 -1.27 116.25 117.51 1a5k h VAL 209 Ca 0.16 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1a5k h VAL 209 Cb 0.13 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1a5k h VAL 209 CO -0.02 0.28 -0.14 0.00 0.02 0.00 0.00 177.57 177.71 1a5k h ALA 210 N 1.05 1.19 0.00 1.67 0.00 -0.48 -1.71 119.26 120.99 1a5k h ALA 210 Ca 0.18 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1a5k h ALA 210 Cb 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1a5k h ALA 210 CO -0.01 0.18 -0.23 0.00 0.00 0.00 0.00 179.25 179.18 1a5k h ALA 211 N 1.86 0.94 0.00 0.00 0.00 0.50 -3.36 119.26 119.20 1a5k h ALA 211 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1a5k h ALA 211 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1a5k h ALA 211 CO 0.02 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1a5k n GLY 212 N 0.50 0.33 3.78 0.00 0.00 -0.64 -4.71 105.19 104.45 1a5k n GLY 212 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1a5k n GLY 212 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1a5k s VAL 213 N -0.27 3.32 -2.09 1.61 -7.23 -1.15 -3.82 120.40 110.78 1a5k s VAL 213 Ca 0.00 0.86 0.19 0.00 -1.81 0.00 0.00 61.98 61.22 1a5k s VAL 213 Cb 0.00 -3.36 0.34 0.00 0.56 0.00 0.00 36.38 33.92 1a5k s VAL 213 CO 0.00 -0.15 1.28 2.30 -0.31 0.00 0.00 175.10 178.22 1a5k n ILE 214 N -1.05 0.47 -3.76 -0.62 -5.35 0.66 -3.99 119.36 105.73 1a5k n ILE 214 Ca 0.10 -0.74 -0.01 0.00 -0.27 0.00 0.00 62.75 61.84 1a5k n ILE 214 Cb 0.51 0.98 -0.00 0.00 -1.74 0.00 0.00 39.64 39.39 1a5k n ILE 214 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1a5k s GLY 215 N -1.34 -0.22 -0.01 3.28 0.00 -1.20 -2.72 107.32 105.10 1a5k s GLY 215 Ca 0.32 0.23 0.02 0.00 0.00 0.00 0.00 44.72 45.29 1a5k s GLY 215 CO 0.26 1.15 -0.07 1.08 0.00 0.00 0.00 173.10 175.52 1a5k s LEU 216 N -3.15 1.86 -0.15 0.66 1.43 -0.24 -0.97 118.68 118.13 1a5k s LEU 216 Ca 0.17 -0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 53.09 1a5k s LEU 216 Cb 0.01 -0.39 -0.04 0.00 0.03 0.00 0.00 46.19 45.80 1a5k s LEU 216 CO 0.00 0.06 0.02 -0.70 0.23 0.00 0.00 176.35 175.96 1a5k s GLU 217 N 0.08 3.60 -0.31 1.70 2.12 -0.70 -1.25 118.70 123.94 1a5k s GLU 217 Ca -0.01 -0.39 -0.10 0.00 0.36 0.00 0.00 54.97 54.83 1a5k s GLU 217 Cb -0.06 -3.02 -0.01 0.00 0.26 0.00 0.00 34.13 31.30 1a5k s GLU 217 CO -0.00 0.41 0.16 0.42 -0.54 0.00 0.00 175.26 175.71 1a5k s ILE 218 N -0.06 4.64 -0.04 -3.70 1.09 0.41 -1.60 121.20 121.95 1a5k s ILE 218 Ca 0.05 -0.40 0.07 0.00 -1.10 0.00 0.00 60.65 59.26 1a5k s ILE 218 Cb -0.12 -3.36 -0.01 0.00 -1.06 0.00 0.00 42.46 37.90 1a5k s ILE 218 CO 0.02 0.07 -0.24 -2.28 -0.10 0.00 0.00 174.94 172.41 1a5k s HIS 219 N 1.62 2.26 0.50 3.97 2.46 -1.26 -0.58 115.29 124.26 1a5k s HIS 219 Ca 0.05 -0.57 0.26 0.00 0.47 0.00 0.00 55.06 55.27 1a5k s HIS 219 Cb -0.17 -1.48 1.54 0.00 -0.13 0.00 0.00 32.58 32.34 1a5k s HIS 219 CO 0.06 -0.14 2.14 1.05 -2.47 0.00 0.00 174.74 175.39 1a5k h GLU 220 N 5.85 0.00 0.00 2.88 4.11 -1.64 -1.35 114.58 124.43 1a5k h GLU 220 Ca -0.36 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.05 1a5k h GLU 220 Cb 1.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1a5k h GLU 220 CO 0.47 0.07 -0.09 -0.44 0.07 0.00 0.00 179.01 179.10 1a5k h ASP 221 N 0.00 0.00 -0.39 3.06 5.19 -1.93 0.47 116.42 122.81 1a5k h ASP 221 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1a5k h ASP 221 Cb 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 1a5k h ASP 221 CO 0.01 0.09 0.00 0.79 -3.12 0.00 0.00 179.24 177.01 1a5k n TRP 222 N -3.53 0.51 -0.64 4.55 7.02 -0.54 -5.02 117.44 119.79 1a5k n TRP 222 Ca -0.02 -0.33 0.00 0.00 -1.02 0.00 0.00 57.50 56.13 1a5k n TRP 222 Cb 0.22 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.10 1a5k n TRP 222 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1a5k n GLY 223 N 1.12 -1.29 2.83 6.99 0.00 0.16 -4.90 105.19 110.10 1a5k n GLY 223 Ca 0.16 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1a5k n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5k n ALA 224 N 0.14 5.59 -2.33 4.61 0.00 -1.24 -4.84 120.51 122.44 1a5k n ALA 224 Ca 0.00 -4.42 -0.28 0.00 0.00 0.00 0.00 53.44 48.74 1a5k n ALA 224 Cb 0.00 -2.75 -0.02 0.00 0.00 0.00 0.00 19.45 16.68 1a5k n ALA 224 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1a5k s THR 225 N -0.90 4.91 0.45 0.00 -4.23 -1.26 -4.40 115.64 110.20 1a5k s THR 225 Ca 0.40 0.25 0.15 0.00 -1.18 0.00 0.00 61.69 61.30 1a5k s THR 225 Cb 0.10 -3.79 0.33 0.00 1.34 0.00 0.00 72.50 70.48 1a5k s THR 225 CO 0.01 -0.59 1.99 -0.65 -0.54 0.00 0.00 174.62 174.85 1a5k h PRO 226 N 0.97 0.34 -0.20 3.99 0.11 -1.94 0.50 132.00 135.77 1a5k h PRO 226 Ca -0.47 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1a5k h PRO 226 Cb 1.20 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1a5k h PRO 226 CO 0.63 0.23 0.01 0.00 -0.21 0.00 0.00 178.00 178.66 1a5k h ALA 227 N 1.72 0.27 -0.22 -0.75 0.00 -1.98 -0.88 119.26 117.42 1a5k h ALA 227 Ca 0.25 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1a5k h ALA 227 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1a5k h ALA 227 CO -0.06 -0.03 0.02 0.00 0.00 0.00 0.00 179.25 179.17 1a5k h ALA 228 N 0.80 0.29 -0.21 0.00 0.00 -1.57 -1.58 119.26 116.99 1a5k h ALA 228 Ca 0.06 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1a5k h ALA 228 Cb 0.36 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1a5k h ALA 228 CO 0.01 -0.01 -0.06 0.82 0.00 0.00 0.00 179.25 180.02 1a5k h ILE 229 N 0.16 0.78 -0.78 0.00 2.04 -0.89 -0.16 117.51 118.66 1a5k h ILE 229 Ca 0.06 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 1a5k h ILE 229 Cb 0.36 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1a5k h ILE 229 CO 0.01 0.00 0.47 -0.78 0.00 0.00 0.00 178.15 177.85 1a5k h ASP 230 N -0.00 0.93 -0.02 1.72 3.58 -1.11 -1.66 116.42 119.87 1a5k h ASP 230 Ca 0.10 -0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 1a5k h ASP 230 Cb 0.16 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 40.97 1a5k h ASP 230 CO -0.22 0.72 0.01 0.00 -2.88 0.00 0.00 179.24 176.87 1a5k h ALA 232 N 0.97 0.92 0.00 0.00 0.00 -0.86 -2.23 119.26 118.07 1a5k h ALA 232 Ca 0.01 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1a5k h ALA 232 Cb 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1a5k h ALA 232 CO -0.00 0.37 -0.37 -0.07 0.00 0.00 0.00 179.25 179.17 1a5k h LEU 233 N 0.99 0.00 -0.11 0.00 3.38 -1.12 -0.28 115.31 118.17 1a5k h LEU 233 Ca 0.26 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 1a5k h LEU 233 Cb -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1a5k h LEU 233 CO -0.05 0.37 -0.04 0.74 0.09 0.00 0.00 178.44 179.55 1a5k h THR 234 N 0.00 1.30 -0.64 0.22 2.02 -0.63 -1.58 112.91 113.61 1a5k h THR 234 Ca -0.00 -1.01 -0.09 0.00 0.77 0.00 0.00 66.41 66.08 1a5k h THR 234 Cb 0.68 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.83 1a5k h THR 234 CO 0.05 0.29 0.05 0.58 0.37 0.00 0.00 175.52 176.85 1a5k h VAL 235 N -0.13 1.27 -0.42 3.16 2.07 -1.28 -2.74 116.25 118.18 1a5k h VAL 235 Ca 0.03 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.46 1a5k h VAL 235 Cb 0.47 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1a5k h VAL 235 CO 0.01 0.41 0.23 0.00 0.02 0.00 0.00 177.57 178.24 1a5k h ALA 236 N 1.03 0.52 -0.39 1.67 0.00 -1.00 -0.52 119.26 120.57 1a5k h ALA 236 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1a5k h ALA 236 Cb 0.51 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1a5k h ALA 236 CO 0.02 -0.11 0.27 -0.44 0.00 0.00 0.00 179.25 178.99 1a5k h ASP 237 N 0.46 0.27 0.80 0.00 3.32 -1.01 -0.53 116.42 119.72 1a5k h ASP 237 Ca 0.17 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1a5k h ASP 237 Cb 0.04 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1a5k h ASP 237 CO -0.10 0.18 -1.14 -1.84 -1.72 0.00 0.00 179.24 174.62 1a5k n GLU 238 N -4.48 0.58 -0.07 3.56 0.28 -0.75 -4.28 120.64 115.48 1a5k n GLU 238 Ca 0.05 0.06 0.06 0.00 -0.16 0.00 0.00 57.16 57.17 1a5k n GLU 238 Cb 0.24 -1.76 0.09 0.00 1.43 0.00 0.00 31.44 31.44 1a5k n GLU 238 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1a5k n MET 239 N -2.54 1.43 -3.63 3.44 2.81 -0.28 -5.01 117.12 113.33 1a5k n MET 239 Ca -0.00 -1.52 -0.22 0.00 -1.81 0.00 0.00 57.70 54.15 1a5k n MET 239 Cb 0.54 -1.25 0.04 0.00 -0.71 0.00 0.00 33.22 31.84 1a5k n MET 239 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1a5k n ASP 240 N 0.66 -2.26 -4.47 7.83 2.03 -0.25 -4.68 116.55 115.41 1a5k n ASP 240 Ca 0.09 -0.82 -0.23 0.00 0.52 0.00 0.00 54.79 54.36 1a5k n ASP 240 Cb 0.35 -4.18 -0.10 0.00 -0.72 0.00 0.00 41.12 36.47 1a5k n ASP 240 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1a5k s ILE 241 N -3.59 1.67 0.13 5.18 -5.25 -1.20 -4.54 121.20 113.60 1a5k s ILE 241 Ca 0.10 -2.09 0.01 0.00 -0.99 0.00 0.00 60.65 57.68 1a5k s ILE 241 Cb -0.03 -2.61 -0.04 0.00 2.95 0.00 0.00 42.46 42.73 1a5k s ILE 241 CO 0.80 -0.19 0.28 -1.58 -1.79 0.00 0.00 174.94 172.46 1a5k s GLN 242 N -3.74 3.46 -0.11 0.37 2.00 -1.10 -4.64 119.66 115.89 1a5k s GLN 242 Ca 0.32 -0.49 0.02 0.00 -2.00 0.00 0.00 55.36 53.21 1a5k s GLN 242 Cb 0.05 -2.97 -0.01 0.00 0.80 0.00 0.00 33.01 30.88 1a5k s GLN 242 CO 0.14 0.53 -0.17 0.08 -0.50 0.00 0.00 175.29 175.37 1a5k s VAL 243 N -1.68 2.76 -0.13 1.34 1.01 -1.26 -1.08 120.40 121.36 1a5k s VAL 243 Ca 0.36 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 1a5k s VAL 243 Cb -0.12 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 1a5k s VAL 243 CO 0.28 0.54 -0.12 0.00 0.00 0.00 0.00 175.10 175.81 1a5k s ALA 244 N 0.16 2.68 0.02 5.51 0.00 -0.38 -0.97 121.76 128.78 1a5k s ALA 244 Ca -0.09 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.03 1a5k s ALA 244 Cb -0.15 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 1a5k s ALA 244 CO 0.06 0.27 -0.09 -1.17 0.00 0.00 0.00 175.76 174.83 1a5k s LEU 245 N 0.27 3.08 -0.34 0.00 2.96 0.69 -0.44 118.68 124.90 1a5k s LEU 245 Ca -0.09 -0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 1a5k s LEU 245 Cb -0.15 -1.78 0.12 0.00 0.50 0.00 0.00 46.19 44.88 1a5k s LEU 245 CO 0.05 0.27 0.18 -2.28 -1.32 0.00 0.00 176.35 173.25 1a5k s HIS 246 N -1.00 0.99 1.22 5.38 5.65 0.26 -1.06 115.29 126.72 1a5k s HIS 246 Ca 0.17 -1.58 -0.19 0.00 0.25 0.00 0.00 55.06 53.71 1a5k s HIS 246 Cb -0.11 -1.20 0.29 0.00 -1.18 0.00 0.00 32.58 30.38 1a5k s HIS 246 CO 0.08 -0.83 1.07 -1.54 -0.65 0.00 0.00 174.74 172.87 1a5k s SER 247 N 1.30 0.75 -0.98 9.88 1.04 -1.26 -2.10 113.70 122.33 1a5k s SER 247 Ca 0.14 0.79 -0.24 0.00 0.48 0.00 0.00 55.95 57.12 1a5k s SER 247 Cb -0.21 -1.13 -0.01 0.00 0.10 0.00 0.00 66.02 64.77 1a5k s SER 247 CO -0.13 -4.24 1.77 -0.62 0.98 0.00 0.00 173.24 170.99 1a5k s ASP 248 N -3.63 5.67 0.25 7.02 2.15 -1.26 -3.90 116.67 122.98 1a5k s ASP 248 Ca 0.70 -1.08 -0.04 0.00 0.43 0.00 0.00 52.55 52.56 1a5k s ASP 248 Cb -0.12 -2.57 0.35 0.00 -0.30 0.00 0.00 42.92 40.28 1a5k s ASP 248 CO 0.57 -2.28 1.88 0.74 -0.17 0.00 0.00 175.17 175.91 1a5k h THR 249 N 6.97 1.11 0.00 1.71 2.02 -1.92 -1.79 112.91 121.00 1a5k h THR 249 Ca 0.15 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1a5k h THR 249 Cb 1.00 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1a5k h THR 249 CO 1.30 0.21 0.00 0.18 0.37 0.00 0.00 175.52 177.58 1a5k n LEU 250 N -4.52 0.58 -2.01 2.58 4.77 -1.26 -2.81 117.00 114.33 1a5k n LEU 250 Ca 0.14 0.71 -0.21 0.00 -0.03 0.00 0.00 56.01 56.62 1a5k n LEU 250 Cb 0.15 -0.71 -0.04 0.00 -2.33 0.00 0.00 43.42 40.49 1a5k n LEU 250 CO 0.33 -0.76 -0.23 0.59 -1.33 0.00 0.00 177.39 175.98 1a5k n ASN 251 N -2.21 -5.69 -0.28 -1.43 3.02 -0.67 -4.88 115.26 103.12 1a5k n ASN 251 Ca 0.00 0.22 -0.05 0.00 -0.03 0.00 0.00 54.58 54.72 1a5k n ASN 251 Cb 0.12 -4.84 0.06 0.00 -0.61 0.00 0.00 39.78 34.51 1a5k n ASN 251 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1a5k h GLU 252 N 0.00 1.03 0.00 3.52 4.81 -1.88 -3.05 114.58 119.01 1a5k h GLU 252 Ca -0.46 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1a5k h GLU 252 Cb 1.35 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1a5k h GLU 252 CO 0.60 0.72 -1.13 -1.13 -0.73 0.00 0.00 179.01 177.34 1a5k n SER 253 N -4.50 0.82 0.00 1.04 3.41 -1.26 -5.06 113.62 108.06 1a5k n SER 253 Ca 0.07 -0.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 1a5k n SER 253 Cb 0.05 1.12 0.00 0.00 -0.26 0.00 0.00 64.21 65.12 1a5k n SER 253 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a5k n GLY 254 N 1.46 -0.62 1.83 5.00 0.00 -1.15 -4.95 105.19 106.75 1a5k n GLY 254 Ca 0.03 -1.39 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 1a5k n GLY 254 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1a5k n PHE 255 N -1.11 -3.17 -0.29 1.61 3.72 -1.26 -4.24 117.46 112.72 1a5k n PHE 255 Ca 0.00 -0.83 0.05 0.00 -0.05 0.00 0.00 57.45 56.62 1a5k n PHE 255 Cb 0.00 -0.34 0.26 0.00 -0.94 0.00 0.00 39.48 38.46 1a5k n PHE 255 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 1a5k h VAL 256 N -0.48 1.04 0.00 -4.37 3.04 -1.93 -1.36 116.25 112.18 1a5k h VAL 256 Ca -0.16 -0.33 -0.03 0.00 -1.01 0.00 0.00 66.70 65.17 1a5k h VAL 256 Cb 0.58 -0.02 -0.00 0.00 -2.01 0.00 0.00 31.29 29.83 1a5k h VAL 256 CO 0.17 0.18 -0.15 1.05 -1.01 0.00 0.00 177.57 177.80 1a5k h GLU 257 N 0.97 0.00 -0.06 4.17 9.09 -1.97 -0.16 114.58 126.62 1a5k h GLU 257 Ca 0.39 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.59 1a5k h GLU 257 Cb 0.26 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.37 1a5k h GLU 257 CO -0.15 0.15 -0.79 -0.44 0.05 0.00 0.00 179.01 177.82 1a5k h ASP 258 N 0.00 0.80 -0.38 3.06 3.32 -1.61 -1.26 116.42 120.35 1a5k h ASP 258 Ca -0.00 -0.70 -0.01 0.00 0.02 0.00 0.00 57.03 56.34 1a5k h ASP 258 Cb 0.30 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1a5k h ASP 258 CO 0.02 1.38 0.18 0.74 -1.72 0.00 0.00 179.24 179.85 1a5k h THR 259 N 0.29 1.17 -0.83 0.35 2.02 -1.06 0.48 112.91 115.31 1a5k h THR 259 Ca -0.08 -0.47 0.01 0.00 0.77 0.00 0.00 66.41 66.64 1a5k h THR 259 Cb 1.45 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 68.61 1a5k h THR 259 CO 0.16 0.18 0.55 -0.07 0.37 0.00 0.00 175.52 176.71 1a5k h LEU 260 N 0.47 0.95 -0.61 2.58 3.38 -1.06 -0.35 115.31 120.68 1a5k h LEU 260 Ca 0.13 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1a5k h LEU 260 Cb 0.11 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1a5k h LEU 260 CO -0.02 0.69 0.20 0.00 0.09 0.00 0.00 178.44 179.40 1a5k h ALA 261 N 1.48 0.80 -0.50 1.53 0.00 -0.43 -2.35 119.26 119.79 1a5k h ALA 261 Ca 0.31 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1a5k h ALA 261 Cb -0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1a5k h ALA 261 CO -0.07 0.46 -0.03 0.00 0.00 0.00 0.00 179.25 179.61 1a5k h ALA 262 N 1.07 1.01 -0.59 0.00 0.00 0.11 -2.35 119.26 118.51 1a5k h ALA 262 Ca 0.20 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1a5k h ALA 262 Cb 0.28 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1a5k h ALA 262 CO -0.01 0.60 0.37 0.82 0.00 0.00 0.00 179.25 181.04 1a5k h ILE 263 N 0.79 1.16 -6.02 0.00 2.04 -0.73 -3.42 117.51 111.32 1a5k h ILE 263 Ca 0.14 -0.33 -0.41 0.00 1.00 0.00 0.00 64.86 65.27 1a5k h ILE 263 Cb 0.52 0.31 0.07 0.00 -0.74 0.00 0.00 36.82 36.97 1a5k h ILE 263 CO 0.03 0.16 -0.79 0.61 0.00 0.00 0.00 178.15 178.16 1a5k n GLY 264 N -1.39 -0.37 2.68 5.37 0.00 -0.89 -2.27 105.19 108.31 1a5k n GLY 264 Ca 0.06 0.15 -0.06 0.00 0.00 0.00 0.00 46.02 46.16 1a5k n GLY 264 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5k n GLY 265 N -1.56 0.69 3.85 -0.02 0.00 -1.26 -4.98 105.19 101.91 1a5k n GLY 265 Ca -0.19 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 1a5k n GLY 265 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5k s ARG 266 N -2.28 3.97 0.27 1.61 0.52 -0.96 -4.78 118.95 117.30 1a5k s ARG 266 Ca 0.00 0.51 -0.30 0.00 -0.52 0.00 0.00 55.73 55.42 1a5k s ARG 266 Cb 0.00 -2.75 -0.12 0.00 0.52 0.00 0.00 34.95 32.59 1a5k s ARG 266 CO 0.00 0.36 1.53 2.41 0.02 0.00 0.00 175.30 179.62 1a5k n THR 267 N 0.31 0.99 -3.59 0.02 -1.04 -1.26 -4.79 114.28 104.92 1a5k n THR 267 Ca -0.02 -0.25 -0.15 0.00 -2.04 0.00 0.00 64.05 61.60 1a5k n THR 267 Cb 0.52 -1.78 -0.07 0.00 -1.82 0.00 0.00 70.33 67.19 1a5k n THR 267 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1a5k s ILE 268 N -0.02 0.00 -0.32 12.58 2.07 -0.85 -4.74 121.20 129.92 1a5k s ILE 268 Ca 0.66 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.78 1a5k s ILE 268 Cb -0.55 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.01 1a5k s ILE 268 CO 0.49 0.00 0.22 -2.28 -1.91 0.00 0.00 174.94 171.46 1a5k s HIS 269 N -0.27 3.22 -0.24 3.50 5.65 -0.14 -1.57 115.29 125.43 1a5k s HIS 269 Ca -0.04 -0.13 -0.19 0.00 0.25 0.00 0.00 55.06 54.96 1a5k s HIS 269 Cb -0.03 -2.44 -0.03 0.00 -1.18 0.00 0.00 32.58 28.91 1a5k s HIS 269 CO 0.03 -0.30 0.55 0.95 -0.65 0.00 0.00 174.74 175.32 1a5k s THR 270 N 1.73 5.05 0.51 0.89 -4.23 -0.62 -0.22 115.64 118.76 1a5k s THR 270 Ca 0.06 0.98 -0.18 0.00 -1.18 0.00 0.00 61.69 61.37 1a5k s THR 270 Cb -0.17 -3.87 -0.07 0.00 1.34 0.00 0.00 72.50 69.73 1a5k s THR 270 CO 0.10 0.09 1.02 -0.36 -0.54 0.00 0.00 174.62 174.93 1a5k s PHE 271 N 2.22 3.12 -0.25 3.99 0.08 -0.23 -2.45 117.98 124.46 1a5k s PHE 271 Ca 0.23 1.54 -0.06 0.00 0.12 0.00 0.00 56.93 58.77 1a5k s PHE 271 Cb -0.16 -2.97 0.01 0.00 -0.57 0.00 0.00 43.02 39.33 1a5k s PHE 271 CO 0.09 -0.73 0.15 -2.39 -0.10 0.00 0.00 175.22 172.23 1a5k n HIS 272 N -1.34 -0.33 0.31 0.36 1.44 -1.15 -4.75 115.22 109.76 1a5k n HIS 272 Ca 0.08 0.05 0.17 0.00 -2.01 0.00 0.00 57.72 56.01 1a5k n HIS 272 Cb 0.53 -0.61 0.88 0.00 0.12 0.00 0.00 29.99 30.92 1a5k n HIS 272 CO 0.00 0.00 0.00 1.15 -2.81 0.00 0.00 176.34 174.68 1a5k h THR 273 N 1.58 0.06 -0.01 0.61 2.02 -1.47 -0.84 112.91 114.86 1a5k h THR 273 Ca -0.16 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.94 1a5k h THR 273 Cb 0.31 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1a5k h THR 273 CO 0.11 0.00 -0.41 -0.08 0.37 0.00 0.00 175.52 175.51 1a5k h GLU 274 N 0.00 0.02 0.00 6.66 4.22 -1.85 -2.68 114.58 120.95 1a5k h GLU 274 Ca 0.02 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.45 1a5k h GLU 274 Cb 0.58 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1a5k h GLU 274 CO -0.00 0.43 0.00 0.41 -2.18 0.00 0.00 179.01 177.67 1a5k n GLY 275 N -0.33 2.08 0.34 1.92 0.00 -0.32 -4.50 105.19 104.37 1a5k n GLY 275 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1a5k n GLY 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5k h ALA 276 N 0.00 1.46 -0.00 4.61 0.00 -1.80 0.15 119.26 123.68 1a5k h ALA 276 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1a5k h ALA 276 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1a5k h ALA 276 CO 0.00 0.04 -0.01 0.41 0.00 0.00 0.00 179.25 179.69 1a5k n GLY 277 N -1.33 -0.77 0.00 0.00 0.00 -1.26 -4.81 105.19 97.02 1a5k n GLY 277 Ca 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1a5k n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5k n GLY 278 N 1.08 4.33 0.00 -0.02 0.00 0.52 -5.01 105.19 106.10 1a5k n GLY 278 Ca 0.21 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1a5k n GLY 278 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5k n GLY 279 N -0.81 4.27 3.30 -0.02 0.00 -1.25 -4.44 105.19 106.24 1a5k n GLY 279 Ca 0.00 -1.26 -0.59 0.00 0.00 0.00 0.00 46.02 44.17 1a5k n GLY 279 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a5k n HIS 280 N -1.79 1.35 -3.22 1.61 8.25 -1.25 -4.04 115.22 116.14 1a5k n HIS 280 Ca 0.00 1.01 -0.39 0.00 -0.26 0.00 0.00 57.72 58.08 1a5k n HIS 280 Cb 0.00 -1.97 -0.06 0.00 1.12 0.00 0.00 29.99 29.09 1a5k n HIS 280 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a5k s ALA 281 N 2.07 3.44 -0.56 -1.41 0.00 -1.12 -1.55 121.76 122.63 1a5k s ALA 281 Ca 0.91 -0.05 0.11 0.00 0.00 0.00 0.00 51.96 52.93 1a5k s ALA 281 Cb -1.30 -2.75 0.30 0.00 0.00 0.00 0.00 23.12 19.38 1a5k s ALA 281 CO 0.68 0.02 1.24 -0.35 0.00 0.00 0.00 175.76 177.36 1a5k n PRO 282 N 3.43 2.81 -0.75 0.00 -0.04 -1.26 -4.93 135.00 134.26 1a5k n PRO 282 Ca -0.06 -2.17 -0.01 0.00 -0.04 0.00 0.00 63.50 61.23 1a5k n PRO 282 Cb 0.51 -1.37 0.25 0.00 -0.04 0.00 0.00 33.50 32.86 1a5k n PRO 282 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1a5k n ASP 283 N 0.00 3.72 0.32 3.54 5.68 -1.11 -4.63 116.55 124.07 1a5k n ASP 283 Ca 0.12 -3.33 0.19 0.00 -0.50 0.00 0.00 54.79 51.27 1a5k n ASP 283 Cb 0.51 -0.64 1.08 0.00 -1.14 0.00 0.00 41.12 40.93 1a5k n ASP 283 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1a5k h ILE 284 N 1.76 0.25 0.00 2.12 6.09 -1.56 -1.94 117.51 124.24 1a5k h ILE 284 Ca 0.17 -0.01 -0.00 0.00 -1.37 0.00 0.00 64.86 63.65 1a5k h ILE 284 Cb 1.83 1.01 -0.00 0.00 0.47 0.00 0.00 36.82 40.13 1a5k h ILE 284 CO 0.46 0.00 -0.02 -0.29 -3.07 0.00 0.00 178.15 175.23 1a5k h ILE 285 N 0.00 0.24 0.00 2.19 2.10 -1.70 -2.15 117.51 118.19 1a5k h ILE 285 Ca -0.00 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.81 1a5k h ILE 285 Cb 0.01 1.10 0.00 0.00 -1.09 0.00 0.00 36.82 36.84 1a5k h ILE 285 CO 0.00 0.02 0.00 0.35 -1.08 0.00 0.00 178.15 177.44 1a5k n THR 286 N -3.39 1.10 0.11 2.19 -2.24 -0.73 -2.80 114.28 108.52 1a5k n THR 286 Ca -0.02 0.28 0.03 0.00 -2.27 0.00 0.00 64.05 62.06 1a5k n THR 286 Cb 0.12 -1.11 0.40 0.00 -2.10 0.00 0.00 70.33 67.64 1a5k n THR 286 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5k h ALA 287 N 2.39 1.54 0.00 6.98 0.00 -1.61 -2.91 119.26 125.65 1a5k h ALA 287 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1a5k h ALA 287 Cb 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1a5k h ALA 287 CO 0.00 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.58 1a5k n ALA 289 N -1.07 3.52 -2.62 0.00 0.00 -1.10 -4.34 120.51 114.90 1a5k n ALA 289 Ca 0.02 -0.35 -0.36 0.00 0.00 0.00 0.00 53.44 52.74 1a5k n ALA 289 Cb 0.01 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 1a5k n ALA 289 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1a5k s HIS 290 N -3.02 3.64 0.45 0.00 3.76 -0.73 -4.68 115.29 114.71 1a5k s HIS 290 Ca 0.10 0.80 0.17 0.00 -0.15 0.00 0.00 55.06 55.98 1a5k s HIS 290 Cb 0.17 -2.16 1.09 0.00 1.11 0.00 0.00 32.58 32.79 1a5k s HIS 290 CO 0.71 0.61 2.01 -1.00 -0.85 0.00 0.00 174.74 176.23 1a5k h PRO 291 N 4.32 0.00 -0.01 8.40 0.13 -1.91 -2.86 132.00 140.07 1a5k h PRO 291 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1a5k h PRO 291 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1a5k h PRO 291 CO 0.63 0.17 -0.12 0.27 -0.23 0.00 0.00 178.00 178.71 1a5k n ASN 292 N -4.22 1.26 -4.72 1.44 6.94 -1.26 -0.24 115.26 114.46 1a5k n ASN 292 Ca -0.02 -1.19 -0.36 0.00 -0.02 0.00 0.00 54.58 52.98 1a5k n ASN 292 Cb 0.24 0.06 -0.08 0.00 -2.36 0.00 0.00 39.78 37.64 1a5k n ASN 292 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1a5k s ILE 293 N -2.25 5.35 -0.45 1.53 -1.09 -1.08 -2.00 121.20 121.21 1a5k s ILE 293 Ca 0.31 0.36 -0.04 0.00 -2.23 0.00 0.00 60.65 59.06 1a5k s ILE 293 Cb 0.20 -3.55 0.12 0.00 -1.58 0.00 0.00 42.46 37.65 1a5k s ILE 293 CO 0.42 0.40 0.26 -0.76 -1.23 0.00 0.00 174.94 174.03 1a5k s LEU 294 N 0.56 5.31 0.06 2.97 1.43 -0.61 -4.28 118.68 124.11 1a5k s LEU 294 Ca 0.12 -2.15 -0.22 0.00 -1.03 0.00 0.00 54.13 50.84 1a5k s LEU 294 Cb -0.12 -1.85 -0.06 0.00 0.03 0.00 0.00 46.19 44.18 1a5k s LEU 294 CO 0.02 -0.53 0.66 -2.16 0.23 0.00 0.00 176.35 174.57 1a5k s PRO 295 N 0.97 4.38 0.22 1.29 0.04 -1.26 -1.58 135.00 139.05 1a5k s PRO 295 Ca 0.09 0.89 0.04 0.00 0.04 0.00 0.00 61.00 62.06 1a5k s PRO 295 Cb -0.23 -3.31 -0.05 0.00 0.04 0.00 0.00 34.50 30.95 1a5k s PRO 295 CO -0.04 0.45 -0.01 -1.54 0.04 0.00 0.00 177.00 175.90 1a5k s SER 296 N -0.56 1.79 0.20 6.66 1.04 -1.02 -1.76 113.70 120.05 1a5k s SER 296 Ca 0.33 -1.20 0.11 0.00 0.48 0.00 0.00 55.95 55.67 1a5k s SER 296 Cb -0.20 0.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.89 1a5k s SER 296 CO 0.21 -0.50 -0.22 -0.44 0.98 0.00 0.00 173.24 173.26 1a5k s SER 297 N -3.29 3.55 0.18 7.02 0.01 -0.29 -1.56 113.70 119.31 1a5k s SER 297 Ca 0.27 -0.84 0.03 0.00 1.31 0.00 0.00 55.95 56.73 1a5k s SER 297 Cb 0.05 -0.32 -0.03 0.00 0.21 0.00 0.00 66.02 65.93 1a5k s SER 297 CO 0.08 0.11 0.31 0.42 0.41 0.00 0.00 173.24 174.58 1a5k s THR 298 N -1.71 5.30 -0.09 1.44 -4.23 -1.26 -0.30 115.64 114.79 1a5k s THR 298 Ca 0.22 -0.74 0.24 0.00 -1.18 0.00 0.00 61.69 60.23 1a5k s THR 298 Cb -0.08 -3.77 0.27 0.00 1.34 0.00 0.00 72.50 70.26 1a5k s THR 298 CO 0.11 -0.16 1.74 -0.55 -0.54 0.00 0.00 174.62 175.21 1a5k h ASN 299 N 1.88 0.00 -0.01 3.99 7.08 -1.22 -3.35 115.58 123.96 1a5k h ASN 299 Ca -0.49 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.73 1a5k h ASN 299 Cb 1.20 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.44 1a5k h ASN 299 CO 0.67 0.15 0.01 1.55 -2.08 0.00 0.00 177.43 177.73 1a5k h PRO 300 N 0.00 0.00 -0.20 4.14 0.13 -1.82 -0.65 132.00 133.60 1a5k h PRO 300 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1a5k h PRO 300 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1a5k h PRO 300 CO 0.02 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.04 1a5k n THR 301 N -3.43 0.25 -3.88 1.56 -2.24 -1.25 -4.84 114.28 100.44 1a5k n THR 301 Ca -0.03 -0.49 -0.36 0.00 -2.27 0.00 0.00 64.05 60.91 1a5k n THR 301 Cb 0.09 0.76 -0.14 0.00 -2.10 0.00 0.00 70.33 68.94 1a5k n THR 301 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1a5k s LEU 302 N -1.66 3.45 0.55 3.22 1.43 -0.25 -3.44 118.68 121.97 1a5k s LEU 302 Ca 0.34 -0.80 0.09 0.00 -1.03 0.00 0.00 54.13 52.74 1a5k s LEU 302 Cb 0.20 -1.75 0.07 0.00 0.03 0.00 0.00 46.19 44.74 1a5k s LEU 302 CO 0.29 -0.15 0.75 -2.16 0.23 0.00 0.00 176.35 175.31 1a5k s PRO 303 N 1.40 2.38 -0.20 1.29 0.04 -1.26 -4.82 135.00 133.82 1a5k s PRO 303 Ca 0.01 -1.60 -0.29 0.00 0.04 0.00 0.00 61.00 59.17 1a5k s PRO 303 Cb -0.17 -2.65 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 1a5k s PRO 303 CO -0.02 -0.77 1.77 -0.47 0.04 0.00 0.00 177.00 177.56 1a5k s TYR 304 N -2.62 1.82 0.44 0.56 5.04 -1.22 -4.96 117.35 116.41 1a5k s TYR 304 Ca 0.60 0.43 0.03 0.00 -2.44 0.00 0.00 57.07 55.69 1a5k s TYR 304 Cb -0.06 -4.03 -0.03 0.00 0.35 0.00 0.00 41.96 38.19 1a5k s TYR 304 CO 0.38 -3.43 0.06 0.95 -1.34 0.00 0.00 175.55 172.17 1a5k s THR 305 N 5.82 0.98 0.43 4.34 -4.23 -1.26 -1.19 115.64 120.53 1a5k s THR 305 Ca 0.79 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.39 1a5k s THR 305 Cb -0.28 -2.36 0.26 0.00 1.34 0.00 0.00 72.50 71.46 1a5k s THR 305 CO 0.32 0.00 2.07 -0.07 -0.54 0.00 0.00 174.62 176.40 1a5k h LEU 306 N 1.64 0.38 -1.79 4.79 3.38 -1.20 -2.97 115.31 119.54 1a5k h LEU 306 Ca -0.40 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1a5k h LEU 306 Cb 1.29 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1a5k h LEU 306 CO 0.67 0.29 0.00 0.59 0.09 0.00 0.00 178.44 180.07 1a5k n ASN 307 N -4.48 2.77 0.04 -0.43 3.02 -1.26 -4.64 115.26 110.28 1a5k n ASN 307 Ca 0.02 -1.91 -0.13 0.00 -0.03 0.00 0.00 54.58 52.53 1a5k n ASN 307 Cb 0.07 -0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 39.17 1a5k n ASN 307 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1a5k h THR 308 N 4.28 0.20 0.34 3.41 2.02 -1.89 -2.94 112.91 118.32 1a5k h THR 308 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1a5k h THR 308 Cb 0.91 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1a5k h THR 308 CO 0.00 0.00 -0.16 0.40 0.37 0.00 0.00 175.52 176.13 1a5k h ILE 309 N -0.52 0.68 -1.04 3.11 1.08 -1.82 -3.02 117.51 115.98 1a5k h ILE 309 Ca 0.06 -0.16 0.29 0.00 -0.39 0.00 0.00 64.86 64.66 1a5k h ILE 309 Cb 0.62 0.77 -0.12 0.00 -3.07 0.00 0.00 36.82 35.02 1a5k h ILE 309 CO -0.33 0.03 0.63 0.44 -0.69 0.00 0.00 178.15 178.24 1a5k h ASP 310 N -0.54 0.54 0.17 1.72 3.32 -1.85 -1.88 116.42 117.90 1a5k h ASP 310 Ca -0.05 0.14 -0.22 0.00 0.02 0.00 0.00 57.03 56.92 1a5k h ASP 310 Cb 0.40 0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.02 1a5k h ASP 310 CO 0.08 0.01 -0.87 -0.08 -1.72 0.00 0.00 179.24 176.65 1a5k h GLU 311 N 0.42 0.53 -0.73 3.56 4.81 -1.45 -3.38 114.58 118.34 1a5k h GLU 311 Ca 0.67 -0.50 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1a5k h GLU 311 Cb 1.54 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 31.01 1a5k h GLU 311 CO -0.47 1.14 0.26 0.45 -0.73 0.00 0.00 179.01 179.66 1a5k h HIS 312 N 0.33 1.14 -0.79 0.92 3.86 -1.21 -3.23 115.15 116.17 1a5k h HIS 312 Ca -0.07 -0.10 0.15 0.00 -1.16 0.00 0.00 60.37 59.20 1a5k h HIS 312 Cb 1.49 -0.34 -0.15 0.00 1.06 0.00 0.00 27.41 29.48 1a5k h HIS 312 CO 0.07 0.88 -0.24 -0.07 0.86 0.00 0.00 177.93 179.43 1a5k h LEU 313 N 1.07 -0.87 0.00 2.43 3.38 -1.73 -1.70 115.31 117.89 1a5k h LEU 313 Ca 0.24 0.24 -0.20 0.00 0.09 0.00 0.00 57.88 58.26 1a5k h LEU 313 Cb 0.25 0.53 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1a5k h LEU 313 CO -0.01 -0.27 -1.12 0.44 0.09 0.00 0.00 178.44 177.57 1a5k h ASP 314 N -0.03 0.00 -0.64 -0.43 3.32 -1.84 -3.32 116.42 113.48 1a5k h ASP 314 Ca 0.36 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.39 1a5k h ASP 314 Cb 0.58 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 1a5k h ASP 314 CO -0.82 0.83 0.31 -0.03 -1.72 0.00 0.00 179.24 177.81 1a5k h MET 315 N 0.00 0.92 0.05 3.56 4.05 -1.42 -3.04 114.93 119.06 1a5k h MET 315 Ca -0.09 -0.13 0.01 0.00 -0.28 0.00 0.00 59.70 59.20 1a5k h MET 315 Cb 1.71 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 32.33 1a5k h MET 315 CO 0.09 0.73 -0.08 1.25 0.23 0.00 0.00 176.91 179.13 1a5k h LEU 316 N 0.88 -0.23 0.19 3.39 7.12 -1.45 -2.72 115.31 122.49 1a5k h LEU 316 Ca 0.22 0.03 0.01 0.00 0.13 0.00 0.00 57.88 58.27 1a5k h LEU 316 Cb 0.11 0.09 -0.04 0.00 -0.53 0.00 0.00 40.66 40.29 1a5k h LEU 316 CO -0.03 -0.13 -0.52 0.24 -0.13 0.00 0.00 178.44 177.87 1a5k h MET 317 N -0.17 -0.77 -0.66 1.25 2.86 -1.64 -2.36 114.93 113.45 1a5k h MET 317 Ca 0.02 0.05 0.09 0.00 -2.06 0.00 0.00 59.70 57.80 1a5k h MET 317 Cb 0.18 0.17 -0.07 0.00 0.06 0.00 0.00 31.60 31.95 1a5k h MET 317 CO -0.05 -0.51 0.29 0.28 1.06 0.00 0.00 176.91 177.98 1a5k h VAL 318 N -0.80 0.81 0.68 -2.22 2.07 -1.54 -1.88 116.25 113.37 1a5k h VAL 318 Ca -0.01 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1a5k h VAL 318 Cb 0.78 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1a5k h VAL 318 CO -0.25 0.09 -0.34 0.00 0.02 0.00 0.00 177.57 177.09 1a5k n HIS 320 N -5.50 0.76 -3.80 0.00 -0.00 -0.90 -3.93 115.22 101.85 1a5k n HIS 320 Ca -0.14 -0.29 -0.27 0.00 -0.00 0.00 0.00 57.72 57.03 1a5k n HIS 320 Cb 0.38 -0.19 0.04 0.00 -0.00 0.00 0.00 29.99 30.22 1a5k n HIS 320 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1a5k n HIS 321 N 0.33 -2.30 -2.93 4.41 8.25 -0.78 -4.99 115.22 117.21 1a5k n HIS 321 Ca 0.12 0.91 -0.27 0.00 -0.26 0.00 0.00 57.72 58.22 1a5k n HIS 321 Cb 0.54 -4.28 -0.01 0.00 1.12 0.00 0.00 29.99 27.36 1a5k n HIS 321 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1a5k s LEU 322 N -7.12 3.80 -0.29 2.41 1.43 -0.80 -5.06 118.68 113.05 1a5k s LEU 322 Ca 0.48 0.81 -0.05 0.00 -1.03 0.00 0.00 54.13 54.34 1a5k s LEU 322 Cb -0.23 -3.72 0.02 0.00 0.03 0.00 0.00 46.19 42.28 1a5k s LEU 322 CO 0.81 -0.44 0.05 -0.62 0.23 0.00 0.00 176.35 176.38 1a5k s ASP 323 N -3.85 4.97 0.31 2.29 -1.08 -1.26 -4.76 116.67 113.29 1a5k s ASP 323 Ca 0.46 -0.84 0.20 0.00 -0.52 0.00 0.00 52.55 51.85 1a5k s ASP 323 Cb -0.10 -1.82 1.10 0.00 -1.46 0.00 0.00 42.92 40.64 1a5k s ASP 323 CO 0.39 -0.20 1.61 -0.81 0.52 0.00 0.00 175.17 176.68 1a5k n PRO 324 N 4.80 0.13 0.02 4.34 -0.04 -1.26 -0.84 135.00 142.15 1a5k n PRO 324 Ca -0.15 0.63 0.02 0.00 -0.04 0.00 0.00 63.50 63.96 1a5k n PRO 324 Cb 0.47 -1.95 -0.09 0.00 -0.04 0.00 0.00 33.50 31.89 1a5k n PRO 324 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1a5k n ASP 325 N -2.22 0.70 -4.60 3.54 8.00 -1.26 -4.79 116.55 115.92 1a5k n ASP 325 Ca -0.01 0.30 -0.43 0.00 0.71 0.00 0.00 54.79 55.36 1a5k n ASP 325 Cb 0.05 0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 41.58 1a5k n ASP 325 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1a5k s ILE 326 N -3.00 4.28 0.24 0.53 1.01 -0.02 -4.93 121.20 119.32 1a5k s ILE 326 Ca -0.04 1.19 -0.11 0.00 0.00 0.00 0.00 60.65 61.69 1a5k s ILE 326 Cb 0.09 -4.56 0.33 0.00 0.01 0.00 0.00 42.46 38.34 1a5k s ILE 326 CO 0.82 -0.93 1.60 0.00 0.00 0.00 0.00 174.94 176.43 1a5k h ALA 327 N 9.09 0.54 0.00 9.38 0.00 -1.87 0.12 119.26 136.53 1a5k h ALA 327 Ca -0.23 0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1a5k h ALA 327 Cb 1.06 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 1a5k h ALA 327 CO 1.10 -0.41 -0.15 0.93 0.00 0.00 0.00 179.25 180.73 1a5k h GLU 328 N 0.00 0.00 0.00 0.00 3.07 -1.92 0.15 114.58 115.88 1a5k h GLU 328 Ca 0.38 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.13 1a5k h GLU 328 Cb 0.59 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.49 1a5k h GLU 328 CO -0.81 0.15 -0.55 -0.44 -1.40 0.00 0.00 179.01 175.95 1a5k h ASP 329 N 0.00 0.00 0.26 1.42 5.19 -1.02 -3.26 116.42 119.01 1a5k h ASP 329 Ca -0.00 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.22 1a5k h ASP 329 Cb 0.28 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.76 1a5k h ASP 329 CO 0.02 0.55 -1.91 1.33 -3.12 0.00 0.00 179.24 176.11 1a5k n VAL 330 N -3.50 0.91 -0.34 -1.35 0.24 -0.88 -4.31 118.33 109.10 1a5k n VAL 330 Ca 0.00 -0.69 0.09 0.00 -2.04 0.00 0.00 64.34 61.69 1a5k n VAL 330 Cb 0.65 -0.43 0.28 0.00 -1.47 0.00 0.00 33.84 32.87 1a5k n VAL 330 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1a5k h ALA 331 N 1.45 1.61 -0.42 2.33 0.00 -0.77 -0.84 119.26 122.62 1a5k h ALA 331 Ca -0.25 0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.42 1a5k h ALA 331 Cb 1.64 -0.18 -0.12 0.00 0.00 0.00 0.00 17.79 19.12 1a5k h ALA 331 CO 0.03 0.15 0.33 1.97 0.00 0.00 0.00 179.25 181.73 1a5k n PHE 332 N -4.60 1.33 -0.06 0.00 -1.74 -1.25 -3.92 117.46 107.22 1a5k n PHE 332 Ca 0.19 -1.57 -0.05 0.00 -0.56 0.00 0.00 57.45 55.46 1a5k n PHE 332 Cb 0.39 -0.77 -0.02 0.00 1.52 0.00 0.00 39.48 40.60 1a5k n PHE 332 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1a5k n ALA 333 N 0.24 0.48 0.15 1.98 0.00 -0.32 -3.44 120.51 119.60 1a5k n ALA 333 Ca 0.26 -0.50 0.02 0.00 0.00 0.00 0.00 53.44 53.22 1a5k n ALA 333 Cb 0.72 0.02 0.09 0.00 0.00 0.00 0.00 19.45 20.28 1a5k n ALA 333 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a5k n GLU 334 N -3.94 0.00 0.03 0.00 1.02 -1.25 -0.17 120.64 116.33 1a5k n GLU 334 Ca -0.08 0.42 -0.01 0.00 -0.02 0.00 0.00 57.16 57.47 1a5k n GLU 334 Cb 0.28 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.12 1a5k n GLU 334 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1a5k h SER 335 N 0.00 0.00 0.11 1.62 4.64 -1.73 -3.38 113.55 114.82 1a5k h SER 335 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1a5k h SER 335 Cb 0.07 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.12 1a5k h SER 335 CO 0.00 0.63 -2.10 -1.14 -0.87 0.00 0.00 176.83 173.35 1a5k n ARG 336 N -2.92 0.67 -3.62 4.77 0.63 0.64 -4.64 116.66 112.19 1a5k n ARG 336 Ca -0.10 -0.04 -0.40 0.00 -0.92 0.00 0.00 57.85 56.40 1a5k n ARG 336 Cb 0.86 -1.57 -0.10 0.00 0.45 0.00 0.00 32.46 32.11 1a5k n ARG 336 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1a5k s ILE 337 N -2.91 4.06 -0.13 5.15 1.01 0.76 -3.42 121.20 125.71 1a5k s ILE 337 Ca -0.08 -1.63 0.01 0.00 0.00 0.00 0.00 60.65 58.95 1a5k s ILE 337 Cb 0.09 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 39.00 1a5k s ILE 337 CO 0.85 -0.62 -0.13 -0.13 0.00 0.00 0.00 174.94 174.91 1a5k s ARG 338 N 1.36 2.16 0.32 2.79 0.52 -1.26 -4.61 118.95 120.22 1a5k s ARG 338 Ca 0.04 -0.51 0.05 0.00 -0.52 0.00 0.00 55.73 54.79 1a5k s ARG 338 Cb -0.24 -1.97 0.68 0.00 0.52 0.00 0.00 34.95 33.94 1a5k s ARG 338 CO 0.00 -0.20 1.85 -0.09 0.02 0.00 0.00 175.30 176.89 1a5k h ARG 339 N 7.91 0.83 -0.10 3.54 2.43 -1.96 -2.31 114.38 124.71 1a5k h ARG 339 Ca -0.35 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 58.80 1a5k h ARG 339 Cb 1.14 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.47 1a5k h ARG 339 CO 0.50 0.55 -0.11 0.93 -1.51 0.00 0.00 179.97 180.32 1a5k h GLU 340 N 0.85 -0.14 -0.05 0.20 3.07 -1.92 -1.22 114.58 115.37 1a5k h GLU 340 Ca 0.47 0.01 -0.19 0.00 -0.50 0.00 0.00 59.36 59.15 1a5k h GLU 340 Cb 0.59 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 1a5k h GLU 340 CO -0.24 -0.09 -0.78 1.79 -1.40 0.00 0.00 179.01 178.29 1a5k h THR 341 N -0.15 1.41 -0.52 1.13 1.35 -1.69 -2.82 112.91 111.63 1a5k h THR 341 Ca 0.08 -2.27 0.00 0.00 -0.55 0.00 0.00 66.41 63.67 1a5k h THR 341 Cb 0.26 2.22 -0.03 0.00 -1.73 0.00 0.00 68.15 68.88 1a5k h THR 341 CO -0.19 0.68 0.33 0.40 -0.25 0.00 0.00 175.52 176.48 1a5k h ILE 342 N 0.22 1.14 -0.53 6.82 2.04 -1.20 -0.70 117.51 125.31 1a5k h ILE 342 Ca -0.04 -0.29 -0.08 0.00 1.00 0.00 0.00 64.86 65.44 1a5k h ILE 342 Cb 1.37 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1a5k h ILE 342 CO 0.13 0.14 -0.00 0.00 0.00 0.00 0.00 178.15 178.42 1a5k h ALA 343 N 1.17 0.71 -0.69 1.87 0.00 -1.26 -3.16 119.26 117.91 1a5k h ALA 343 Ca 0.19 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1a5k h ALA 343 Cb -0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1a5k h ALA 343 CO -0.04 0.53 0.13 0.00 0.00 0.00 0.00 179.25 179.88 1a5k h ALA 344 N 0.95 0.91 -0.95 0.00 0.00 -1.21 -3.14 119.26 115.82 1a5k h ALA 344 Ca 0.15 -0.27 0.22 0.00 0.00 0.00 0.00 54.91 55.02 1a5k h ALA 344 Cb 0.53 -0.26 -0.12 0.00 0.00 0.00 0.00 17.79 17.94 1a5k h ALA 344 CO 0.03 0.67 0.51 1.49 0.00 0.00 0.00 179.25 181.94 1a5k h GLU 345 N 1.06 0.52 -0.41 0.00 4.81 -1.09 -0.56 114.58 118.90 1a5k h GLU 345 Ca 0.21 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1a5k h GLU 345 Cb 0.42 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1a5k h GLU 345 CO 0.01 0.35 0.26 -0.44 -0.73 0.00 0.00 179.01 178.45 1a5k h ASP 346 N 0.54 0.49 -0.29 1.04 5.19 -1.65 -2.06 116.42 119.68 1a5k h ASP 346 Ca 0.59 -0.04 -0.06 0.00 -0.62 0.00 0.00 57.03 56.90 1a5k h ASP 346 Cb 1.07 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.45 1a5k h ASP 346 CO -0.47 0.38 -0.03 0.58 -3.12 0.00 0.00 179.24 176.58 1a5k h VAL 347 N 0.55 1.27 -0.15 -1.35 2.07 -1.29 -2.56 116.25 114.78 1a5k h VAL 347 Ca 0.15 -1.01 0.04 0.00 0.82 0.00 0.00 66.70 66.70 1a5k h VAL 347 Cb -0.02 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1a5k h VAL 347 CO -0.03 0.32 0.13 -0.07 0.02 0.00 0.00 177.57 177.94 1a5k h LEU 348 N 0.32 0.00 -0.11 2.57 3.38 -0.98 0.16 115.31 120.65 1a5k h LEU 348 Ca 0.08 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1a5k h LEU 348 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1a5k h LEU 348 CO 0.02 0.00 -0.36 0.45 0.09 0.00 0.00 178.44 178.64 1a5k h HIS 349 N 0.00 0.58 0.00 1.13 3.86 -1.09 0.30 115.15 119.93 1a5k h HIS 349 Ca 0.07 -0.24 -0.03 0.00 -1.16 0.00 0.00 60.37 59.02 1a5k h HIS 349 Cb 0.32 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.69 1a5k h HIS 349 CO 0.00 0.98 -0.14 0.22 0.86 0.00 0.00 177.93 179.85 1a5k h ASP 350 N 0.02 0.00 0.81 2.45 3.58 -0.64 -1.87 116.42 120.77 1a5k h ASP 350 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1a5k h ASP 350 Cb 0.99 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1a5k h ASP 350 CO 0.08 0.14 -0.43 0.18 -2.88 0.00 0.00 179.24 176.32 1a5k n LEU 351 N -4.19 0.54 0.00 2.28 4.77 -0.24 -4.94 117.00 115.21 1a5k n LEU 351 Ca -0.02 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1a5k n LEU 351 Cb 0.21 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1a5k n LEU 351 CO 0.34 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1a5k n GLY 352 N 1.42 0.67 0.11 -0.72 0.00 -0.70 -4.68 105.19 101.28 1a5k n GLY 352 Ca 0.05 -0.47 -0.17 0.00 0.00 0.00 0.00 46.02 45.43 1a5k n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5k h ALA 353 N 0.00 0.11 -3.24 4.61 0.00 -0.61 -2.00 119.26 118.13 1a5k h ALA 353 Ca 0.00 -0.93 -0.61 0.00 0.00 0.00 0.00 54.91 53.37 1a5k h ALA 353 Cb 0.00 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 17.72 1a5k h ALA 353 CO 0.00 0.98 -0.53 -0.06 0.00 0.00 0.00 179.25 179.64 1a5k s PHE 354 N -2.64 3.31 -0.72 0.00 0.40 -1.06 -4.84 117.98 112.43 1a5k s PHE 354 Ca -0.05 0.16 0.19 0.00 -0.60 0.00 0.00 56.93 56.63 1a5k s PHE 354 Cb 0.07 -2.14 -0.23 0.00 0.51 0.00 0.00 43.02 41.23 1a5k s PHE 354 CO 0.88 0.17 0.73 0.43 0.70 0.00 0.00 175.22 178.13 1a5k n SER 355 N 3.69 0.81 -4.10 1.36 7.64 -0.72 -4.68 113.62 117.62 1a5k n SER 355 Ca -0.16 -0.75 -0.09 0.00 1.01 0.00 0.00 58.87 58.88 1a5k n SER 355 Cb 0.52 1.19 -0.10 0.00 -1.01 0.00 0.00 64.21 64.81 1a5k n SER 355 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1a5k s LEU 356 N -3.22 2.45 0.02 -3.43 1.02 -0.89 -4.31 118.68 110.32 1a5k s LEU 356 Ca 0.04 -0.91 0.05 0.00 0.02 0.00 0.00 54.13 53.33 1a5k s LEU 356 Cb 0.14 0.08 -0.02 0.00 0.02 0.00 0.00 46.19 46.42 1a5k s LEU 356 CO 0.80 -0.50 -0.14 0.42 0.02 0.00 0.00 176.35 176.95 1a5k s THR 357 N -3.37 1.11 0.26 5.49 -4.23 -1.07 -1.14 115.64 112.70 1a5k s THR 357 Ca 0.05 -0.86 -0.01 0.00 -1.18 0.00 0.00 61.69 59.69 1a5k s THR 357 Cb 0.04 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.90 1a5k s THR 357 CO -0.07 0.11 0.36 -1.54 -0.54 0.00 0.00 174.62 172.94 1a5k n SER 358 N 2.18 -0.98 -0.08 3.99 3.41 0.59 -4.67 113.62 118.05 1a5k n SER 358 Ca -0.17 -2.44 -0.08 0.00 -0.26 0.00 0.00 58.87 55.92 1a5k n SER 358 Cb 0.55 1.86 -0.03 0.00 -0.26 0.00 0.00 64.21 66.33 1a5k n SER 358 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1a5k n SER 359 N -1.77 1.85 -1.04 4.04 3.41 -1.26 -1.56 113.62 117.29 1a5k n SER 359 Ca 0.01 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1a5k n SER 359 Cb 0.44 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1a5k n SER 359 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1a5k n ASP 360 N -4.39 -1.76 -4.61 4.04 2.03 -0.74 -3.10 116.55 108.02 1a5k n ASP 360 Ca -0.13 0.00 -0.62 0.00 0.52 0.00 0.00 54.79 54.56 1a5k n ASP 360 Cb 0.48 -0.44 -0.09 0.00 -0.72 0.00 0.00 41.12 40.35 1a5k n ASP 360 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1a5k n SER 361 N -1.04 1.52 -1.76 1.67 3.41 -1.12 -1.92 113.62 114.37 1a5k n SER 361 Ca 0.00 0.99 -0.18 0.00 -0.26 0.00 0.00 58.87 59.42 1a5k n SER 361 Cb 0.44 -0.99 -0.06 0.00 -0.26 0.00 0.00 64.21 63.34 1a5k n SER 361 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a5k n GLN 362 N 5.46 -1.52 -2.99 4.33 6.02 -0.68 -4.09 117.38 123.91 1a5k n GLN 362 Ca 0.36 1.01 -0.14 0.00 -0.01 0.00 0.00 57.00 58.22 1a5k n GLN 362 Cb 0.02 -5.43 0.02 0.00 1.02 0.00 0.00 30.24 25.87 1a5k n GLN 362 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1a5k n ALA 363 N 0.21 0.79 -2.27 -1.58 0.00 -0.86 -4.87 120.51 111.93 1a5k n ALA 363 Ca -0.19 -2.56 0.00 0.00 0.00 0.00 0.00 53.44 50.69 1a5k n ALA 363 Cb 0.61 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1a5k n ALA 363 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1a5k n MET 364 N 0.33 0.00 -3.56 0.00 2.81 -1.25 -4.92 117.12 110.54 1a5k n MET 364 Ca 0.17 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.97 1a5k n MET 364 Cb 0.68 -2.48 -0.03 0.00 -0.71 0.00 0.00 33.22 30.67 1a5k n MET 364 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1a5k s GLY 365 N -2.99 -0.33 -0.30 3.03 0.00 -0.81 -4.40 107.32 101.53 1a5k s GLY 365 Ca 0.00 1.64 -0.00 0.00 0.00 0.00 0.00 44.72 46.36 1a5k s GLY 365 CO 0.00 0.71 -0.01 0.50 0.00 0.00 0.00 173.10 174.30 1a5k s ARG 366 N -2.02 2.28 0.45 2.90 0.52 -1.25 -1.69 118.95 120.13 1a5k s ARG 366 Ca 0.03 -1.38 0.21 0.00 -0.52 0.00 0.00 55.73 54.08 1a5k s ARG 366 Cb -0.01 -3.14 1.20 0.00 0.52 0.00 0.00 34.95 33.52 1a5k s ARG 366 CO -0.04 -0.67 1.86 -0.24 0.02 0.00 0.00 175.30 176.24 1a5k h VAL 367 N 6.55 0.64 -0.59 3.52 3.04 -1.90 -1.90 116.25 125.61 1a5k h VAL 367 Ca -0.19 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 1a5k h VAL 367 Cb 1.05 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.66 1a5k h VAL 367 CO 0.53 0.05 0.00 0.61 -1.01 0.00 0.00 177.57 177.75 1a5k n GLY 368 N -1.57 2.11 0.27 3.17 0.00 -1.26 -4.42 105.19 103.49 1a5k n GLY 368 Ca 0.19 -0.70 0.08 0.00 0.00 0.00 0.00 46.02 45.59 1a5k n GLY 368 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a5k n GLU 369 N 1.13 1.17 -0.05 1.61 1.02 -0.71 -4.77 120.64 120.03 1a5k n GLU 369 Ca 0.21 -2.55 -0.13 0.00 -0.02 0.00 0.00 57.16 54.68 1a5k n GLU 369 Cb 0.65 -1.37 -0.07 0.00 -0.02 0.00 0.00 31.44 30.63 1a5k n GLU 369 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1a5k h VAL 370 N 1.19 1.35 -0.08 2.62 2.07 -1.77 -1.94 116.25 119.68 1a5k h VAL 370 Ca -0.01 -1.26 -0.04 0.00 0.82 0.00 0.00 66.70 66.21 1a5k h VAL 370 Cb 1.07 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 32.75 1a5k h VAL 370 CO 0.00 0.36 -0.12 0.40 0.02 0.00 0.00 177.57 178.24 1a5k h ILE 371 N -0.09 1.39 -0.41 4.57 2.04 -1.89 -2.73 117.51 120.39 1a5k h ILE 371 Ca 0.02 -1.36 0.07 0.00 1.00 0.00 0.00 64.86 64.60 1a5k h ILE 371 Cb 0.63 2.09 -0.07 0.00 -0.74 0.00 0.00 36.82 38.74 1a5k h ILE 371 CO 0.03 0.38 0.01 0.25 0.00 0.00 0.00 178.15 178.82 1a5k h LEU 372 N -0.22 -0.15 -0.71 1.44 6.46 -1.63 -2.25 115.31 118.26 1a5k h LEU 372 Ca 0.01 0.09 -0.13 0.00 -0.12 0.00 0.00 57.88 57.73 1a5k h LEU 372 Cb 0.67 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.75 1a5k h LEU 372 CO 0.03 -0.04 -0.64 0.03 -0.62 0.00 0.00 178.44 177.20 1a5k h ARG 373 N 0.12 0.00 -0.55 1.25 3.08 -1.42 -2.45 114.38 114.41 1a5k h ARG 373 Ca 0.20 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 1a5k h ARG 373 Cb 0.28 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 1a5k h ARG 373 CO -0.33 0.64 0.26 1.15 -1.07 0.00 0.00 179.97 180.62 1a5k h THR 374 N 0.00 1.21 -0.07 2.04 2.02 -1.09 -1.61 112.91 115.41 1a5k h THR 374 Ca -0.01 -0.59 -0.13 0.00 0.77 0.00 0.00 66.41 66.45 1a5k h THR 374 Cb 1.14 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1a5k h THR 374 CO 0.08 0.23 -0.55 -0.50 0.37 0.00 0.00 175.52 175.16 1a5k h TRP 375 N 0.75 0.25 -0.45 3.16 4.06 -1.38 -2.36 115.95 119.98 1a5k h TRP 375 Ca 0.19 -0.09 -0.06 0.00 2.06 0.00 0.00 58.89 60.99 1a5k h TRP 375 Cb 0.13 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.22 1a5k h TRP 375 CO -0.00 0.70 0.03 1.96 -3.56 0.00 0.00 178.44 177.58 1a5k h GLN 376 N 0.15 0.72 -0.01 0.49 4.20 -1.02 -0.50 115.11 119.14 1a5k h GLN 376 Ca 0.00 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1a5k h GLN 376 Cb 1.01 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.70 1a5k h GLN 376 CO 0.08 0.71 0.00 0.28 -0.67 0.00 0.00 178.83 179.23 1a5k h VAL 377 N 0.68 1.18 -0.84 -0.54 2.07 -0.98 -1.07 116.25 116.75 1a5k h VAL 377 Ca 0.14 -0.52 0.11 0.00 0.82 0.00 0.00 66.70 67.26 1a5k h VAL 377 Cb 0.37 1.52 -0.08 0.00 -1.52 0.00 0.00 31.29 31.58 1a5k h VAL 377 CO 0.01 0.14 0.46 0.00 0.02 0.00 0.00 177.57 178.20 1a5k h ALA 378 N 0.78 1.22 0.50 1.67 0.00 -1.02 0.96 119.26 123.38 1a5k h ALA 378 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1a5k h ALA 378 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1a5k h ALA 378 CO -0.00 0.03 -0.24 1.25 0.00 0.00 0.00 179.25 180.29 1a5k h HIS 379 N 0.73 -0.62 -0.26 0.00 6.17 -0.87 -1.37 115.15 118.93 1a5k h HIS 379 Ca 0.42 -0.01 0.04 0.00 0.71 0.00 0.00 60.37 61.53 1a5k h HIS 379 Cb 0.48 0.21 -0.01 0.00 2.52 0.00 0.00 27.41 30.60 1a5k h HIS 379 CO -0.07 -0.34 0.17 0.00 0.71 0.00 0.00 177.93 178.41 1a5k h ARG 380 N -0.78 0.18 0.02 5.26 2.47 -0.55 -0.97 114.38 120.01 1a5k h ARG 380 Ca -0.07 -0.01 -0.24 0.00 -1.26 0.00 0.00 59.98 58.40 1a5k h ARG 380 Cb 0.56 -0.04 0.01 0.00 -1.65 0.00 0.00 29.97 28.85 1a5k h ARG 380 CO 0.11 0.12 -1.01 0.52 0.56 0.00 0.00 179.97 180.28 1a5k h MET 381 N 0.18 0.49 -0.26 0.04 2.86 -0.69 -1.61 114.93 115.95 1a5k h MET 381 Ca 0.11 -0.55 -0.03 0.00 -2.06 0.00 0.00 59.70 57.17 1a5k h MET 381 Cb 0.21 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1a5k h MET 381 CO -0.02 1.19 0.04 -0.22 1.06 0.00 0.00 176.91 178.96 1a5k h LYS 382 N 0.27 0.44 -0.41 1.72 3.64 -0.62 0.27 116.57 121.88 1a5k h LYS 382 Ca -0.10 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 59.19 1a5k h LYS 382 Cb 1.65 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.39 1a5k h LYS 382 CO 0.18 0.57 0.20 0.28 -2.27 0.00 0.00 179.45 178.41 1a5k h VAL 383 N 0.25 0.96 0.14 2.00 2.07 -1.20 0.11 116.25 120.58 1a5k h VAL 383 Ca 0.08 -0.14 -0.31 0.00 0.82 0.00 0.00 66.70 67.15 1a5k h VAL 383 Cb 0.34 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1a5k h VAL 383 CO 0.01 0.07 -1.49 1.56 0.02 0.00 0.00 177.57 177.74 1a5k h GLN 384 N 0.40 0.30 -0.00 1.57 4.20 -1.21 -3.40 115.11 116.98 1a5k h GLN 384 Ca 0.18 -0.52 0.00 0.00 0.06 0.00 0.00 58.65 58.37 1a5k h GLN 384 Cb 0.10 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1a5k h GLN 384 CO -0.13 1.20 -0.30 0.54 -0.67 0.00 0.00 178.83 179.46 1a5k n ARG 385 N -3.51 3.53 0.00 1.46 1.74 0.94 -5.08 116.66 115.74 1a5k n ARG 385 Ca -0.16 -0.21 0.00 0.00 -0.77 0.00 0.00 57.85 56.71 1a5k n ARG 385 Cb 1.05 -0.94 0.00 0.00 -1.02 0.00 0.00 32.46 31.55 1a5k n ARG 385 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a5k n GLY 386 N 1.05 -1.18 3.76 -0.13 0.00 0.38 -4.88 105.19 104.19 1a5k n GLY 386 Ca 0.02 -1.24 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 1a5k n GLY 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5k s ALA 387 N -1.16 2.97 0.54 4.61 0.00 -1.26 -4.55 121.76 122.91 1a5k s ALA 387 Ca 0.00 1.09 -0.18 0.00 0.00 0.00 0.00 51.96 52.87 1a5k s ALA 387 Cb 0.00 -3.45 -0.06 0.00 0.00 0.00 0.00 23.12 19.61 1a5k s ALA 387 CO 0.00 -0.88 1.04 -0.51 0.00 0.00 0.00 175.76 175.41 1a5k s LEU 388 N -3.07 3.66 0.66 0.00 1.43 -1.26 -4.91 118.68 115.19 1a5k s LEU 388 Ca 0.65 1.83 0.40 0.00 -1.03 0.00 0.00 54.13 55.98 1a5k s LEU 388 Cb -0.33 -4.54 2.17 0.00 0.03 0.00 0.00 46.19 43.51 1a5k s LEU 388 CO 0.40 -0.94 2.24 0.00 0.23 0.00 0.00 176.35 178.29 1a5k h ALA 389 N 0.97 1.15 -0.00 4.21 0.00 -1.98 -0.39 119.26 123.21 1a5k h ALA 389 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1a5k h ALA 389 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1a5k h ALA 389 CO 0.59 -0.10 -0.49 0.39 0.00 0.00 0.00 179.25 179.63 1a5k n GLU 390 N -3.10 0.14 -1.87 0.00 4.71 -1.26 -4.95 120.64 114.31 1a5k n GLU 390 Ca -0.02 -0.08 -0.38 0.00 -0.01 0.00 0.00 57.16 56.66 1a5k n GLU 390 Cb 0.16 -1.50 0.03 0.00 -1.01 0.00 0.00 31.44 29.13 1a5k n GLU 390 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1a5k s GLU 391 N -2.92 3.27 -0.01 3.49 0.41 -0.16 -4.91 118.70 117.88 1a5k s GLU 391 Ca 0.13 2.16 0.02 0.00 -0.41 0.00 0.00 54.97 56.87 1a5k s GLU 391 Cb 0.18 -2.30 -0.00 0.00 -1.78 0.00 0.00 34.13 30.22 1a5k s GLU 391 CO 0.68 -1.06 -0.07 -0.08 -0.49 0.00 0.00 175.26 174.25 1a5k s THR 392 N -1.34 0.52 0.08 3.63 -1.32 -1.26 -5.00 115.64 110.96 1a5k s THR 392 Ca 0.70 -0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.90 1a5k s THR 392 Cb -0.38 -0.44 0.00 0.00 -1.51 0.00 0.00 72.50 70.16 1a5k s THR 392 CO 0.46 0.15 0.00 0.61 -2.21 0.00 0.00 174.62 173.63 1a5k n GLY 393 N 2.94 -1.44 2.89 6.08 0.00 -1.26 -4.39 105.19 110.01 1a5k n GLY 393 Ca -0.13 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 1a5k n GLY 393 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a5k n ASP 394 N -1.81 6.67 -3.43 1.61 -0.08 -1.26 -4.93 116.55 113.31 1a5k n ASP 394 Ca 0.00 -3.47 -0.11 0.00 -1.51 0.00 0.00 54.79 49.70 1a5k n ASP 394 Cb 0.16 -1.25 -0.03 0.00 2.34 0.00 0.00 41.12 42.34 1a5k n ASP 394 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1a5k s ASN 395 N -1.52 0.32 -0.25 1.67 6.03 -1.26 -5.00 114.94 114.93 1a5k s ASN 395 Ca 0.34 -1.18 0.12 0.00 -1.03 0.00 0.00 52.86 51.11 1a5k s ASN 395 Cb 0.09 0.69 0.54 0.00 -3.03 0.00 0.00 41.25 39.54 1a5k s ASN 395 CO 0.04 -1.35 1.49 0.47 -2.03 0.00 0.00 177.10 175.71 1a5k n ASP 396 N -1.04 3.34 -0.19 3.54 8.00 -0.26 -4.77 116.55 125.17 1a5k n ASP 396 Ca -0.02 -3.37 -0.01 0.00 0.71 0.00 0.00 54.79 52.09 1a5k n ASP 396 Cb 0.61 -0.61 0.06 0.00 -0.02 0.00 0.00 41.12 41.16 1a5k n ASP 396 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1a5k h ASN 397 N 1.46 -0.49 -0.61 -2.24 4.21 -1.90 -0.16 115.58 115.85 1a5k h ASN 397 Ca 0.14 0.17 -0.03 0.00 1.21 0.00 0.00 56.30 57.79 1a5k h ASN 397 Cb 1.66 0.34 -0.03 0.00 -1.12 0.00 0.00 38.32 39.17 1a5k h ASN 397 CO 0.37 -0.18 0.25 0.15 -1.29 0.00 0.00 177.43 176.73 1a5k h PHE 398 N 0.02 0.92 -0.36 1.19 3.57 -1.91 -1.51 116.94 118.86 1a5k h PHE 398 Ca 0.29 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 1a5k h PHE 398 Cb 0.45 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1a5k h PHE 398 CO -0.46 0.73 0.10 -0.09 -2.23 0.00 0.00 178.31 176.36 1a5k h ARG 399 N 0.85 0.53 -0.44 1.11 2.43 -1.64 -0.57 114.38 116.64 1a5k h ARG 399 Ca 0.21 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 59.16 1a5k h ARG 399 Cb 0.19 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1a5k h ARG 399 CO -0.02 0.47 -0.24 0.28 -1.51 0.00 0.00 179.97 178.96 1a5k h VAL 400 N 0.52 1.27 -0.49 0.20 2.07 -0.57 -1.76 116.25 117.50 1a5k h VAL 400 Ca 0.12 -1.40 -0.13 0.00 0.82 0.00 0.00 66.70 66.11 1a5k h VAL 400 Cb 0.18 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1a5k h VAL 400 CO -0.01 0.48 -0.21 0.11 0.02 0.00 0.00 177.57 177.96 1a5k h LYS 401 N 0.78 1.00 -0.48 1.57 1.57 -0.81 -0.85 116.57 119.36 1a5k h LYS 401 Ca 0.10 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1a5k h LYS 401 Cb 0.81 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 1a5k h LYS 401 CO 0.07 1.11 0.28 -0.09 -0.57 0.00 0.00 179.45 180.25 1a5k h ARG 402 N 0.86 0.66 0.02 3.15 2.43 -1.00 -2.76 114.38 117.75 1a5k h ARG 402 Ca 0.11 -0.07 -0.22 0.00 -0.81 0.00 0.00 59.98 59.00 1a5k h ARG 402 Cb 0.79 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1a5k h ARG 402 CO 0.07 0.50 -0.95 1.88 -1.51 0.00 0.00 179.97 179.95 1a5k h TYR 403 N 0.64 0.39 -0.01 2.20 -1.99 -1.23 -3.24 116.97 113.74 1a5k h TYR 403 Ca 0.17 -0.23 -0.10 0.00 2.00 0.00 0.00 58.73 60.57 1a5k h TYR 403 Cb 0.02 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 38.69 1a5k h TYR 403 CO -0.02 1.07 -0.48 0.97 -0.00 0.00 0.00 178.16 179.70 1a5k h ILE 404 N 0.13 1.34 0.00 -2.88 2.10 -1.15 -2.58 117.51 114.48 1a5k h ILE 404 Ca -0.07 -1.64 -0.03 0.00 1.08 0.00 0.00 64.86 64.20 1a5k h ILE 404 Cb 1.60 1.88 -0.00 0.00 -1.09 0.00 0.00 36.82 39.21 1a5k h ILE 404 CO 0.15 0.47 -0.14 0.00 -1.08 0.00 0.00 178.15 177.55 1a5k h ALA 405 N 1.50 1.49 -0.28 0.18 0.00 -1.51 -2.88 119.26 117.76 1a5k h ALA 405 Ca -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1a5k h ALA 405 Cb 0.85 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1a5k h ALA 405 CO 0.06 0.18 0.09 0.87 0.00 0.00 0.00 179.25 180.45 1a5k h LYS 406 N 0.00 0.40 -0.12 0.00 1.57 -1.53 -1.93 116.57 114.95 1a5k h LYS 406 Ca -0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1a5k h LYS 406 Cb 0.30 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1a5k h LYS 406 CO 0.02 0.35 0.00 2.48 -0.57 0.00 0.00 179.45 181.73 1a5k n TYR 407 N -4.40 0.31 0.00 -1.35 0.18 -1.10 -2.59 117.16 108.21 1a5k n TYR 407 Ca 0.01 -0.75 0.00 0.00 1.88 0.00 0.00 57.90 59.04 1a5k n TYR 407 Cb 0.15 -0.14 0.00 0.00 -0.38 0.00 0.00 39.34 38.97 1a5k n TYR 407 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1a5k n THR 408 N -0.63 0.00 -0.25 -3.48 -2.24 -1.12 -1.03 114.28 105.54 1a5k n THR 408 Ca 0.12 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.83 1a5k n THR 408 Cb 0.56 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.84 1a5k n THR 408 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1a5k h ILE 409 N 0.00 1.26 -0.45 2.28 6.09 -1.35 -3.05 117.51 122.29 1a5k h ILE 409 Ca 0.00 -1.01 -0.03 0.00 -1.37 0.00 0.00 64.86 62.44 1a5k h ILE 409 Cb 0.00 0.58 -0.02 0.00 0.47 0.00 0.00 36.82 37.85 1a5k h ILE 409 CO 0.00 0.38 0.15 0.78 -3.07 0.00 0.00 178.15 176.39 1a5k h ASN 410 N 1.06 0.65 -0.04 2.19 2.35 -1.66 0.26 115.58 120.40 1a5k h ASN 410 Ca 0.21 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1a5k h ASN 410 Cb 0.41 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1a5k h ASN 410 CO 0.01 0.68 -0.05 -0.65 -1.65 0.00 0.00 177.43 175.77 1a5k h PRO 411 N 0.59 0.24 -0.30 0.81 0.11 -1.76 -0.85 132.00 130.84 1a5k h PRO 411 Ca 0.15 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 66.04 1a5k h PRO 411 Cb 0.26 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 1a5k h PRO 411 CO -0.01 0.31 -0.50 0.00 -0.21 0.00 0.00 178.00 177.59 1a5k h ALA 412 N 1.72 0.55 -0.37 -0.75 0.00 -1.30 -2.61 119.26 116.51 1a5k h ALA 412 Ca 0.05 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 1a5k h ALA 412 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1a5k h ALA 412 CO 0.01 0.68 -0.28 -0.07 0.00 0.00 0.00 179.25 179.59 1a5k h LEU 413 N 0.65 0.88 -1.39 0.00 3.38 -0.52 -1.43 115.31 116.89 1a5k h LEU 413 Ca 0.03 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 1a5k h LEU 413 Cb 1.09 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1a5k h LEU 413 CO 0.11 1.14 0.28 0.74 0.09 0.00 0.00 178.44 180.80 1a5k h THR 414 N 0.64 1.16 -0.49 0.22 2.02 -1.12 -2.93 112.91 112.40 1a5k h THR 414 Ca 0.07 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1a5k h THR 414 Cb 0.86 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1a5k h THR 414 CO 0.07 0.17 0.00 1.41 0.37 0.00 0.00 175.52 177.55 1a5k n HIS 415 N -4.41 1.21 -2.69 3.16 8.25 -0.99 -4.85 115.22 114.89 1a5k n HIS 415 Ca 0.04 -0.66 -0.17 0.00 -0.26 0.00 0.00 57.72 56.67 1a5k n HIS 415 Cb 0.10 -0.24 0.02 0.00 1.12 0.00 0.00 29.99 30.98 1a5k n HIS 415 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a5k n GLY 416 N 0.58 -0.29 0.00 -1.41 0.00 -1.08 -4.74 105.19 98.25 1a5k n GLY 416 Ca 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1a5k n GLY 416 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1a5k n ILE 417 N -4.19 0.43 0.28 -0.61 -5.35 -0.61 -2.20 119.36 107.12 1a5k n ILE 417 Ca -0.12 -0.64 0.19 0.00 -0.27 0.00 0.00 62.75 61.90 1a5k n ILE 417 Cb 0.61 0.86 0.99 0.00 -1.74 0.00 0.00 39.64 40.36 1a5k n ILE 417 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1a5k h ALA 418 N 0.00 1.00 0.00 -1.28 0.00 -1.55 -0.05 119.26 117.38 1a5k h ALA 418 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a5k h ALA 418 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1a5k h ALA 418 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 179.25 180.37 1a5k h HIS 419 N 0.00 0.00 0.00 0.00 2.07 -1.88 -3.34 115.15 111.99 1a5k h HIS 419 Ca 0.00 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.25 1a5k h HIS 419 Cb 0.02 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 29.96 1a5k h HIS 419 CO 0.00 0.00 -1.98 0.39 -3.07 0.00 0.00 177.93 173.27 1a5k n GLU 420 N -2.52 0.41 -2.48 5.12 -0.58 -0.09 -4.78 120.64 115.73 1a5k n GLU 420 Ca 0.03 0.12 -0.04 0.00 -0.42 0.00 0.00 57.16 56.85 1a5k n GLU 420 Cb 0.36 -1.28 -0.02 0.00 -0.57 0.00 0.00 31.44 29.94 1a5k n GLU 420 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1a5k n VAL 421 N -3.24 0.00 0.00 2.62 0.24 -0.86 -1.16 118.33 115.94 1a5k n VAL 421 Ca -0.32 -0.51 0.00 0.00 -2.04 0.00 0.00 64.34 61.47 1a5k n VAL 421 Cb 0.80 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 1a5k n VAL 421 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a5k n GLY 422 N 0.19 2.88 3.63 7.63 0.00 -1.26 -4.28 105.19 113.99 1a5k n GLY 422 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 1a5k n GLY 422 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a5k s SER 423 N -1.37 -0.34 -1.02 1.61 1.04 -1.26 -1.98 113.70 110.39 1a5k s SER 423 Ca 0.00 -0.25 -0.18 0.00 0.48 0.00 0.00 55.95 56.00 1a5k s SER 423 Cb 0.00 0.54 0.13 0.00 0.10 0.00 0.00 66.02 66.78 1a5k s SER 423 CO 0.00 -0.94 1.26 -0.63 0.98 0.00 0.00 173.24 173.91 1a5k s ILE 424 N -3.48 4.66 0.03 -1.02 1.01 -1.26 -4.91 121.20 116.23 1a5k s ILE 424 Ca 0.07 -1.70 0.02 0.00 0.00 0.00 0.00 60.65 59.04 1a5k s ILE 424 Cb -0.02 -4.86 -0.02 0.00 0.01 0.00 0.00 42.46 37.57 1a5k s ILE 424 CO -0.03 -1.61 -0.07 -1.61 0.00 0.00 0.00 174.94 171.61 1a5k s GLU 425 N 2.83 0.50 0.36 2.79 2.02 -1.26 -5.10 118.70 120.84 1a5k s GLU 425 Ca 0.37 -0.60 -0.28 0.00 0.02 0.00 0.00 54.97 54.49 1a5k s GLU 425 Cb -0.03 -0.33 -0.12 0.00 0.10 0.00 0.00 34.13 33.75 1a5k s GLU 425 CO -0.07 0.07 1.34 1.33 0.02 0.00 0.00 175.26 177.95 1a5k n VAL 426 N 1.89 2.07 0.00 2.63 0.24 -1.26 -2.20 118.33 121.70 1a5k n VAL 426 Ca -0.20 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 1a5k n VAL 426 Cb 0.56 -1.67 0.00 0.00 -1.47 0.00 0.00 33.84 31.25 1a5k n VAL 426 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a5k n GLY 427 N 0.69 3.28 3.86 7.63 0.00 0.05 -4.97 105.19 115.74 1a5k n GLY 427 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1a5k n GLY 427 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5k s LYS 428 N -0.61 3.85 0.32 1.61 1.02 -0.93 -4.75 119.74 120.25 1a5k s LYS 428 Ca 0.00 0.68 -0.29 0.00 0.02 0.00 0.00 55.97 56.38 1a5k s LYS 428 Cb 0.00 -2.28 -0.12 0.00 -0.52 0.00 0.00 37.83 34.91 1a5k s LYS 428 CO 0.00 -0.14 1.36 -0.11 -0.92 0.00 0.00 175.35 175.54 1a5k n LEU 429 N -1.41 3.64 -3.61 3.17 7.94 -0.31 -0.66 117.00 125.77 1a5k n LEU 429 Ca 0.04 1.19 -0.41 0.00 -1.11 0.00 0.00 56.01 55.73 1a5k n LEU 429 Cb 0.54 -1.49 -0.02 0.00 0.53 0.00 0.00 43.42 42.97 1a5k n LEU 429 CO 0.47 -0.37 2.62 0.00 -1.11 0.00 0.00 177.39 178.99 1a5k n ALA 430 N 0.80 5.19 -3.33 1.96 0.00 0.21 -4.66 120.51 120.68 1a5k n ALA 430 Ca 0.06 -3.56 -0.46 0.00 0.00 0.00 0.00 53.44 49.48 1a5k n ALA 430 Cb 0.35 -3.51 -0.05 0.00 0.00 0.00 0.00 19.45 16.25 1a5k n ALA 430 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a5k s ASP 431 N 3.54 6.17 0.16 0.00 1.01 -1.26 -2.55 116.67 123.75 1a5k s ASP 431 Ca 0.52 -1.84 0.07 0.00 0.71 0.00 0.00 52.55 52.01 1a5k s ASP 431 Cb 0.14 -2.19 -0.04 0.00 1.01 0.00 0.00 42.92 41.84 1a5k s ASP 431 CO -0.03 -0.83 -0.16 -0.76 0.21 0.00 0.00 175.17 173.60 1a5k s LEU 432 N 1.51 2.46 -0.07 1.23 1.43 -0.66 -1.47 118.68 123.13 1a5k s LEU 432 Ca 0.04 -0.89 0.01 0.00 -1.03 0.00 0.00 54.13 52.26 1a5k s LEU 432 Cb -0.29 -0.69 0.02 0.00 0.03 0.00 0.00 46.19 45.26 1a5k s LEU 432 CO 0.02 -0.11 -0.07 -0.69 0.23 0.00 0.00 176.35 175.73 1a5k s VAL 433 N -2.35 0.81 -0.20 -1.59 1.01 -0.28 -0.10 120.40 117.71 1a5k s VAL 433 Ca 0.15 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 1a5k s VAL 433 Cb -0.04 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 1a5k s VAL 433 CO 0.05 0.30 0.18 -0.69 0.00 0.00 0.00 175.10 174.94 1a5k s VAL 434 N 1.05 5.37 0.05 2.92 1.01 0.46 -1.55 120.40 129.71 1a5k s VAL 434 Ca -0.08 0.28 0.08 0.00 0.00 0.00 0.00 61.98 62.25 1a5k s VAL 434 Cb -0.14 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1a5k s VAL 434 CO -0.00 0.41 -0.21 0.26 0.00 0.00 0.00 175.10 175.55 1a5k s TRP 435 N 0.53 1.85 -0.02 5.22 0.52 0.82 -0.12 118.94 127.74 1a5k s TRP 435 Ca 0.10 -0.38 -0.18 0.00 0.02 0.00 0.00 56.10 55.65 1a5k s TRP 435 Cb -0.12 -1.09 -0.05 0.00 -1.15 0.00 0.00 33.47 31.06 1a5k s TRP 435 CO 0.01 0.11 0.51 0.45 0.02 0.00 0.00 176.95 178.05 1a5k s SER 436 N -1.30 6.87 0.45 2.95 0.15 -1.26 -0.34 113.70 121.21 1a5k s SER 436 Ca 0.08 1.03 0.26 0.00 0.70 0.00 0.00 55.95 58.01 1a5k s SER 436 Cb -0.09 -2.31 1.28 0.00 -1.71 0.00 0.00 66.02 63.19 1a5k s SER 436 CO 0.02 0.16 1.77 -0.65 1.20 0.00 0.00 173.24 175.74 1a5k h PRO 437 N 5.54 0.23 0.00 5.44 0.11 -1.92 0.11 132.00 141.51 1a5k h PRO 437 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1a5k h PRO 437 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1a5k h PRO 437 CO 0.68 0.15 0.00 0.00 -0.21 0.00 0.00 178.00 178.62 1a5k h ALA 438 N 1.55 1.00 0.00 -0.75 0.00 -1.88 -0.93 119.26 118.24 1a5k h ALA 438 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.52 1a5k h ALA 438 Cb 1.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1a5k h ALA 438 CO -0.22 0.00 -0.05 1.19 0.00 0.00 0.00 179.25 180.18 1a5k n PHE 439 N -2.43 0.00 -1.67 0.00 3.01 -0.06 -4.57 117.46 111.74 1a5k n PHE 439 Ca 0.03 -0.69 -0.45 0.00 1.01 0.00 0.00 57.45 57.35 1a5k n PHE 439 Cb 0.34 -0.10 -0.03 0.00 -0.01 0.00 0.00 39.48 39.68 1a5k n PHE 439 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1a5k n PHE 440 N -0.92 2.22 -0.45 1.38 7.35 -0.69 -1.10 117.46 125.25 1a5k n PHE 440 Ca 0.08 0.37 0.00 0.00 -0.76 0.00 0.00 57.45 57.14 1a5k n PHE 440 Cb 0.51 -2.49 0.00 0.00 0.35 0.00 0.00 39.48 37.85 1a5k n PHE 440 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1a5k n GLY 441 N 2.66 1.24 0.73 7.13 0.00 -1.26 -4.57 105.19 111.11 1a5k n GLY 441 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 1a5k n GLY 441 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1a5k n VAL 442 N -2.00 0.92 -3.55 1.61 0.31 -0.26 -3.64 118.33 111.73 1a5k n VAL 442 Ca 0.00 0.10 -0.22 0.00 -0.01 0.00 0.00 64.34 64.21 1a5k n VAL 442 Cb 0.00 -1.74 -0.15 0.00 -0.91 0.00 0.00 33.84 31.05 1a5k n VAL 442 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1a5k s LYS 443 N -2.24 0.13 0.52 5.55 1.02 -0.73 -4.91 119.74 119.09 1a5k s LYS 443 Ca -0.11 0.04 -0.21 0.00 0.02 0.00 0.00 55.97 55.70 1a5k s LYS 443 Cb 0.03 -1.49 -0.06 0.00 -0.52 0.00 0.00 37.83 35.80 1a5k s LYS 443 CO 0.15 -0.68 1.21 -2.14 -0.92 0.00 0.00 175.35 172.97 1a5k s PRO 444 N 2.23 3.37 -0.03 -1.68 0.02 -1.26 -4.70 135.00 132.95 1a5k s PRO 444 Ca 0.05 1.86 -0.10 0.00 0.02 0.00 0.00 61.00 62.83 1a5k s PRO 444 Cb -0.16 -2.20 -0.31 0.00 0.02 0.00 0.00 34.50 31.86 1a5k s PRO 444 CO -0.12 -0.89 0.74 0.00 -0.33 0.00 0.00 177.00 176.40 1a5k h ALA 445 N 1.51 0.15 -2.88 -1.55 0.00 -0.87 -3.41 119.26 112.20 1a5k h ALA 445 Ca -0.50 -1.11 -0.15 0.00 0.00 0.00 0.00 54.91 53.15 1a5k h ALA 445 Cb 1.27 0.40 -0.26 0.00 0.00 0.00 0.00 17.79 19.20 1a5k h ALA 445 CO 0.58 1.01 -0.35 0.99 0.00 0.00 0.00 179.25 181.48 1a5k s THR 446 N -2.59 -0.01 -0.24 0.00 2.01 -1.06 -4.14 115.64 109.60 1a5k s THR 446 Ca -0.14 0.05 0.02 0.00 0.31 0.00 0.00 61.69 61.93 1a5k s THR 446 Cb 0.06 -0.49 0.05 0.00 0.01 0.00 0.00 72.50 72.13 1a5k s THR 446 CO 0.86 0.02 -0.12 -0.69 -0.69 0.00 0.00 174.62 174.01 1a5k s VAL 447 N 0.71 2.28 -0.19 3.82 1.01 -0.83 -0.41 120.40 126.78 1a5k s VAL 447 Ca -0.04 -1.39 -0.09 0.00 0.00 0.00 0.00 61.98 60.46 1a5k s VAL 447 Cb -0.06 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 1a5k s VAL 447 CO -0.05 0.13 0.11 -0.63 0.00 0.00 0.00 175.10 174.65 1a5k s ILE 448 N 1.18 5.18 -0.15 2.22 1.01 0.85 -1.22 121.20 130.27 1a5k s ILE 448 Ca -0.04 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.71 1a5k s ILE 448 Cb -0.18 -3.35 0.02 0.00 0.01 0.00 0.00 42.46 38.96 1a5k s ILE 448 CO -0.07 0.45 -0.13 -0.54 0.00 0.00 0.00 174.94 174.66 1a5k s LYS 449 N 0.37 2.12 -2.10 2.79 1.02 0.80 -1.65 119.74 123.10 1a5k s LYS 449 Ca 0.06 -0.52 0.00 0.00 0.02 0.00 0.00 55.97 55.53 1a5k s LYS 449 Cb -0.12 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 1a5k s LYS 449 CO -0.01 -0.26 0.00 0.41 -0.92 0.00 0.00 175.35 174.57 1a5k n GLY 450 N 4.80 1.82 0.35 -3.33 0.00 -1.05 -1.72 105.19 106.06 1a5k n GLY 450 Ca -0.16 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1a5k n GLY 450 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5k n GLY 451 N -0.54 0.79 3.03 -0.02 0.00 -1.09 -4.18 105.19 103.18 1a5k n GLY 451 Ca -0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 1a5k n GLY 451 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1a5k s MET 452 N -0.85 0.87 -0.01 1.61 1.00 -0.70 -4.96 119.30 116.25 1a5k s MET 452 Ca 0.00 -0.34 -0.30 0.00 0.00 0.00 0.00 55.69 55.05 1a5k s MET 452 Cb 0.00 -0.83 -0.06 0.00 0.00 0.00 0.00 34.83 33.94 1a5k s MET 452 CO 0.00 0.18 1.57 0.42 0.00 0.00 0.00 175.02 177.19 1a5k s ILE 453 N -0.08 3.50 -0.16 2.53 1.01 -1.26 -0.14 121.20 126.59 1a5k s ILE 453 Ca 0.01 0.79 0.18 0.00 0.00 0.00 0.00 60.65 61.63 1a5k s ILE 453 Cb -0.05 -3.51 -0.25 0.00 0.01 0.00 0.00 42.46 38.65 1a5k s ILE 453 CO -0.00 -0.03 0.20 0.00 0.00 0.00 0.00 174.94 175.11 1a5k n ALA 454 N 6.21 1.67 -3.55 9.38 0.00 -0.36 -1.55 120.51 132.32 1a5k n ALA 454 Ca 0.16 -1.16 -0.16 0.00 0.00 0.00 0.00 53.44 52.27 1a5k n ALA 454 Cb 0.42 -0.34 -0.07 0.00 0.00 0.00 0.00 19.45 19.47 1a5k n ALA 454 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1a5k s ILE 455 N -2.64 0.00 0.08 0.00 2.07 -1.21 -0.50 121.20 118.99 1a5k s ILE 455 Ca -0.09 -0.01 -0.27 0.00 -1.41 0.00 0.00 60.65 58.87 1a5k s ILE 455 Cb 0.07 -0.98 0.08 0.00 0.13 0.00 0.00 42.46 41.77 1a5k s ILE 455 CO 0.84 -0.01 0.87 0.00 -1.91 0.00 0.00 174.94 174.73 1a5k s ALA 456 N -0.60 -1.72 0.27 1.50 0.00 -1.21 -1.97 121.76 118.03 1a5k s ALA 456 Ca -0.07 0.61 -0.29 0.00 0.00 0.00 0.00 51.96 52.21 1a5k s ALA 456 Cb -0.02 0.56 -0.09 0.00 0.00 0.00 0.00 23.12 23.57 1a5k s ALA 456 CO 0.06 -0.83 1.19 -2.14 0.00 0.00 0.00 175.76 174.05 1a5k s PRO 457 N -3.28 4.52 -0.02 0.00 0.02 -1.26 -2.42 135.00 132.57 1a5k s PRO 457 Ca 0.07 1.95 0.01 0.00 0.02 0.00 0.00 61.00 63.04 1a5k s PRO 457 Cb -0.01 -3.17 0.01 0.00 0.02 0.00 0.00 34.50 31.35 1a5k s PRO 457 CO -0.05 0.01 -0.01 1.41 -0.33 0.00 0.00 177.00 178.02 1a5k s MET 458 N -1.18 0.29 0.00 5.54 1.75 -0.30 -4.91 119.30 120.50 1a5k s MET 458 Ca 0.48 -0.01 0.00 0.00 -1.25 0.00 0.00 55.69 54.91 1a5k s MET 458 Cb -0.34 -0.38 0.00 0.00 2.84 0.00 0.00 34.83 36.94 1a5k s MET 458 CO 0.43 -0.04 0.00 0.41 -0.65 0.00 0.00 175.02 175.17 1a5k n GLY 459 N 3.62 0.62 2.93 2.11 0.00 -0.81 -2.20 105.19 111.46 1a5k n GLY 459 Ca -0.21 -1.92 -0.54 0.00 0.00 0.00 0.00 46.02 43.36 1a5k n GLY 459 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a5k n ASP 460 N -2.62 0.78 0.17 1.61 -0.08 -0.43 -4.81 116.55 111.17 1a5k n ASP 460 Ca 0.00 0.73 0.05 0.00 -1.51 0.00 0.00 54.79 54.07 1a5k n ASP 460 Cb 0.00 -0.76 0.52 0.00 2.34 0.00 0.00 41.12 43.21 1a5k n ASP 460 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1a5k h ILE 461 N 5.39 1.08 -0.17 5.18 1.08 -1.92 -1.33 117.51 126.82 1a5k h ILE 461 Ca -0.19 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 1a5k h ILE 461 Cb 1.20 1.02 0.00 0.00 -3.07 0.00 0.00 36.82 35.96 1a5k h ILE 461 CO 0.90 0.11 0.00 -3.20 -0.69 0.00 0.00 178.15 175.27 1a5k n ASN 462 N -4.43 2.09 -4.79 1.72 5.15 -1.26 -4.96 115.26 108.78 1a5k n ASN 462 Ca -0.01 -1.75 -0.30 0.00 -0.60 0.00 0.00 54.58 51.92 1a5k n ASN 462 Cb 0.15 -0.11 0.10 0.00 -0.53 0.00 0.00 39.78 39.40 1a5k n ASN 462 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1a5k s ALA 463 N -1.79 2.12 -0.91 5.20 0.00 -0.51 -4.94 121.76 120.93 1a5k s ALA 463 Ca 0.34 -0.22 0.25 0.00 0.00 0.00 0.00 51.96 52.32 1a5k s ALA 463 Cb 0.19 -3.11 1.00 0.00 0.00 0.00 0.00 23.12 21.21 1a5k s ALA 463 CO 0.29 -1.86 1.78 -1.13 0.00 0.00 0.00 175.76 174.84 1a5k n SER 464 N -3.52 0.19 -3.87 0.00 3.41 -1.26 -4.80 113.62 103.78 1a5k n SER 464 Ca 0.07 0.53 -0.09 0.00 -0.26 0.00 0.00 58.87 59.11 1a5k n SER 464 Cb 0.56 -0.57 -0.07 0.00 -0.26 0.00 0.00 64.21 63.87 1a5k n SER 464 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1a5k s ILE 465 N -3.04 0.11 -1.95 -1.33 -4.36 -1.26 -5.06 121.20 104.30 1a5k s ILE 465 Ca 0.11 -1.19 0.31 0.00 -0.26 0.00 0.00 60.65 59.63 1a5k s ILE 465 Cb 0.15 -1.50 0.87 0.00 1.25 0.00 0.00 42.46 43.23 1a5k s ILE 465 CO 0.47 -0.49 2.20 -0.81 0.24 0.00 0.00 174.94 176.54 1a5k n PRO 466 N -0.13 0.94 0.09 0.37 -0.04 -1.26 -4.14 135.00 130.84 1a5k n PRO 466 Ca -0.12 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.37 1a5k n PRO 466 Cb 0.63 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 1a5k n PRO 466 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1a5k h THR 467 N 0.00 0.54 -4.06 0.52 1.35 -1.92 -2.14 112.91 107.19 1a5k h THR 467 Ca 0.00 -1.88 -0.55 0.00 -0.55 0.00 0.00 66.41 63.43 1a5k h THR 467 Cb 0.02 2.11 0.13 0.00 -1.73 0.00 0.00 68.15 68.69 1a5k h THR 467 CO 0.00 0.31 0.58 -2.84 -0.25 0.00 0.00 175.52 173.31 1a5k s PRO 468 N -3.02 3.06 0.65 4.72 0.02 -1.26 -4.82 135.00 134.36 1a5k s PRO 468 Ca 0.01 2.15 -0.16 0.00 0.02 0.00 0.00 61.00 63.02 1a5k s PRO 468 Cb 0.08 -2.17 -0.01 0.00 0.02 0.00 0.00 34.50 32.42 1a5k s PRO 468 CO 0.77 -1.22 1.13 -0.65 -0.33 0.00 0.00 177.00 176.70 1a5k s GLN 469 N -3.00 2.82 0.10 5.54 -1.52 -1.26 -1.31 119.66 121.02 1a5k s GLN 469 Ca 0.73 1.47 -0.27 0.00 -1.95 0.00 0.00 55.36 55.34 1a5k s GLN 469 Cb -0.39 -1.95 -0.06 0.00 -0.22 0.00 0.00 33.01 30.40 1a5k s GLN 469 CO 0.45 -1.25 0.86 -1.25 -0.25 0.00 0.00 175.29 173.84 1a5k s PRO 470 N -3.94 4.62 -0.27 2.91 0.04 -1.26 -4.31 135.00 132.79 1a5k s PRO 470 Ca 0.69 1.27 -0.08 0.00 0.04 0.00 0.00 61.00 62.92 1a5k s PRO 470 Cb -0.22 -3.35 -0.02 0.00 0.04 0.00 0.00 34.50 30.95 1a5k s PRO 470 CO 0.39 0.32 0.10 0.08 0.04 0.00 0.00 177.00 177.93 1a5k s VAL 471 N -0.28 4.40 0.15 -0.36 1.01 -1.26 -3.58 120.40 120.47 1a5k s VAL 471 Ca 0.42 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.00 1a5k s VAL 471 Cb -0.22 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.02 1a5k s VAL 471 CO 0.27 0.23 0.33 -1.38 0.00 0.00 0.00 175.10 174.55 1a5k s HIS 472 N 1.61 0.18 0.05 5.22 -3.43 -0.93 -4.86 115.29 113.12 1a5k s HIS 472 Ca 0.05 -0.55 -0.31 0.00 -0.80 0.00 0.00 55.06 53.46 1a5k s HIS 472 Cb -0.16 0.07 -0.07 0.00 -1.43 0.00 0.00 32.58 30.99 1a5k s HIS 472 CO 0.05 -0.73 1.52 0.71 -2.00 0.00 0.00 174.74 174.29 1a5k s TYR 473 N -3.91 2.71 0.03 0.38 1.51 -1.26 -1.15 117.35 115.66 1a5k s TYR 473 Ca 0.12 0.60 0.03 0.00 -1.01 0.00 0.00 57.07 56.81 1a5k s TYR 473 Cb 0.03 -3.81 -0.02 0.00 -0.11 0.00 0.00 41.96 38.04 1a5k s TYR 473 CO -0.04 -3.13 -0.10 1.03 -1.11 0.00 0.00 175.55 172.20 1a5k s ARG 474 N 2.30 0.71 0.37 -0.62 0.52 -1.01 -4.94 118.95 116.28 1a5k s ARG 474 Ca 0.69 -0.60 -0.28 0.00 -0.52 0.00 0.00 55.73 55.01 1a5k s ARG 474 Cb -0.36 -0.65 -0.11 0.00 0.52 0.00 0.00 34.95 34.35 1a5k s ARG 474 CO 0.30 0.16 1.47 -2.14 0.02 0.00 0.00 175.30 175.10 1a5k s PRO 475 N -0.96 4.13 0.37 3.54 0.02 -1.26 -3.29 135.00 137.55 1a5k s PRO 475 Ca -0.01 2.54 0.02 0.00 0.02 0.00 0.00 61.00 63.57 1a5k s PRO 475 Cb -0.07 -2.98 0.02 0.00 0.02 0.00 0.00 34.50 31.49 1a5k s PRO 475 CO 0.01 -0.50 0.17 -1.33 -0.33 0.00 0.00 177.00 175.02 1a5k n MET 476 N 0.49 1.01 -0.20 5.54 2.81 0.34 -4.94 117.12 122.18 1a5k n MET 476 Ca 0.01 -2.46 0.18 0.00 -1.81 0.00 0.00 57.70 53.62 1a5k n MET 476 Cb 0.39 0.43 0.52 0.00 -0.71 0.00 0.00 33.22 33.85 1a5k n MET 476 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 1a5k h PHE 477 N 0.84 0.47 0.00 2.03 0.04 -1.84 -0.05 116.94 118.43 1a5k h PHE 477 Ca -0.26 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.52 1a5k h PHE 477 Cb 0.89 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.89 1a5k h PHE 477 CO 0.00 0.15 0.00 0.41 -0.60 0.00 0.00 178.31 178.27 1a5k n GLY 478 N -1.53 -0.99 0.88 -1.45 0.00 -0.60 -1.34 105.19 100.16 1a5k n GLY 478 Ca 0.17 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.34 1a5k n GLY 478 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5k n ALA 479 N -1.68 2.35 -2.76 4.61 0.00 -0.03 -3.68 120.51 119.31 1a5k n ALA 479 Ca 0.01 -1.30 -0.36 0.00 0.00 0.00 0.00 53.44 51.79 1a5k n ALA 479 Cb 0.13 -0.60 -0.07 0.00 0.00 0.00 0.00 19.45 18.90 1a5k n ALA 479 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a5k s LEU 480 N -1.20 4.27 0.00 0.00 1.43 -0.45 -4.81 118.68 117.92 1a5k s LEU 480 Ca 0.32 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 1a5k s LEU 480 Cb 0.18 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 44.28 1a5k s LEU 480 CO 0.20 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.62 1a5k n GLY 481 N 3.06 0.00 0.20 -3.19 0.00 -1.26 -1.08 105.19 102.92 1a5k n GLY 481 Ca -0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.90 1a5k n GLY 481 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a5k h SER 482 N 0.00 0.00 -0.29 1.61 0.02 -1.96 -2.48 113.55 110.45 1a5k h SER 482 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1a5k h SER 482 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1a5k h SER 482 CO 0.00 0.32 -0.15 0.00 -1.14 0.00 0.00 176.83 175.86 1a5k h ALA 483 N 1.68 0.99 -0.08 3.77 0.00 -1.45 -2.52 119.26 121.66 1a5k h ALA 483 Ca -0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1a5k h ALA 483 Cb 0.61 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1a5k h ALA 483 CO 0.04 0.60 0.04 -0.09 0.00 0.00 0.00 179.25 179.84 1a5k h ARG 484 N 0.65 0.11 -0.92 0.00 2.43 -0.64 -1.95 114.38 114.05 1a5k h ARG 484 Ca 0.11 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.37 1a5k h ARG 484 Cb 0.63 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.07 1a5k h ARG 484 CO 0.04 0.14 0.56 0.45 -1.51 0.00 0.00 179.97 179.65 1a5k h HIS 485 N 0.04 1.01 0.00 2.20 3.86 -1.35 -0.11 115.15 120.80 1a5k h HIS 485 Ca 0.03 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1a5k h HIS 485 Cb 0.06 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.22 1a5k h HIS 485 CO -0.05 0.40 0.00 1.25 0.86 0.00 0.00 177.93 180.39 1a5k h HIS 486 N 0.90 0.00 -0.18 2.45 -0.00 -1.03 -2.96 115.15 114.32 1a5k h HIS 486 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.82 1a5k h HIS 486 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.85 1a5k h HIS 486 CO -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 177.93 177.90 1a5k s ARG 488 N -0.99 1.40 -0.02 0.00 1.70 -0.76 -3.33 118.95 116.94 1a5k s ARG 488 Ca 0.19 -1.62 0.06 0.00 -0.47 0.00 0.00 55.73 53.89 1a5k s ARG 488 Cb 0.11 -1.25 -0.01 0.00 -0.57 0.00 0.00 34.95 33.23 1a5k s ARG 488 CO 0.16 0.21 -0.20 -0.51 -1.08 0.00 0.00 175.30 173.88 1a5k s LEU 489 N -3.35 2.03 -0.24 -1.89 1.43 -1.26 -3.00 118.68 112.40 1a5k s LEU 489 Ca 0.24 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 52.90 1a5k s LEU 489 Cb -0.02 -1.07 -0.02 0.00 0.03 0.00 0.00 46.19 45.12 1a5k s LEU 489 CO 0.08 0.24 0.02 -0.89 0.23 0.00 0.00 176.35 176.03 1a5k s THR 490 N -0.40 3.83 -0.07 5.49 2.01 -0.44 -1.52 115.64 124.55 1a5k s THR 490 Ca 0.06 -0.37 -0.24 0.00 0.31 0.00 0.00 61.69 61.44 1a5k s THR 490 Cb -0.09 -2.79 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 1a5k s THR 490 CO -0.00 0.35 0.73 -0.36 -0.69 0.00 0.00 174.62 174.65 1a5k s PHE 491 N 1.54 3.57 0.37 4.92 0.08 0.10 -1.64 117.98 126.92 1a5k s PHE 491 Ca 0.06 1.28 0.08 0.00 0.12 0.00 0.00 56.93 58.47 1a5k s PHE 491 Cb -0.15 -2.84 -0.07 0.00 -0.57 0.00 0.00 43.02 39.40 1a5k s PHE 491 CO 0.00 0.06 -0.01 -0.51 -0.10 0.00 0.00 175.22 174.67 1a5k s LEU 492 N 0.90 2.88 0.37 -0.37 1.43 0.39 -4.54 118.68 119.74 1a5k s LEU 492 Ca 0.39 -1.20 -0.15 0.00 -1.03 0.00 0.00 54.13 52.14 1a5k s LEU 492 Cb -0.18 -1.09 -0.08 0.00 0.03 0.00 0.00 46.19 44.87 1a5k s LEU 492 CO 0.18 -0.33 0.78 -0.94 0.23 0.00 0.00 176.35 176.28 1a5k s SER 493 N -3.70 6.72 0.37 2.29 1.04 -1.25 -1.94 113.70 117.23 1a5k s SER 493 Ca 0.35 1.31 0.13 0.00 0.48 0.00 0.00 55.95 58.21 1a5k s SER 493 Cb 0.05 -2.39 0.93 0.00 0.10 0.00 0.00 66.02 64.71 1a5k s SER 493 CO 0.18 -0.30 1.82 1.56 0.98 0.00 0.00 173.24 177.49 1a5k h GLN 494 N 1.87 0.55 -0.12 4.02 4.20 -1.83 -1.24 115.11 122.57 1a5k h GLN 494 Ca -0.48 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.19 1a5k h GLN 494 Cb 1.18 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.83 1a5k h GLN 494 CO 0.64 0.37 0.03 0.00 -0.67 0.00 0.00 178.83 179.20 1a5k h ALA 495 N 1.62 0.15 -0.78 3.87 0.00 -1.87 -1.79 119.26 120.46 1a5k h ALA 495 Ca 0.51 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.31 1a5k h ALA 495 Cb 1.04 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1a5k h ALA 495 CO -0.25 -0.22 0.51 0.00 0.00 0.00 0.00 179.25 179.29 1a5k h ALA 496 N 0.83 1.01 -0.51 0.00 0.00 -1.42 0.15 119.26 119.31 1a5k h ALA 496 Ca 0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1a5k h ALA 496 Cb 0.24 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1a5k h ALA 496 CO 0.00 0.36 0.30 0.00 0.00 0.00 0.00 179.25 179.91 1a5k h ALA 497 N 1.31 0.65 -0.59 0.00 0.00 -1.16 -2.24 119.26 117.23 1a5k h ALA 497 Ca 0.30 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1a5k h ALA 497 Cb -0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1a5k h ALA 497 CO -0.09 0.15 0.02 0.00 0.00 0.00 0.00 179.25 179.32 1a5k h ALA 498 N 1.14 0.92 0.00 0.00 0.00 -0.69 -2.69 119.26 117.94 1a5k h ALA 498 Ca 0.18 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1a5k h ALA 498 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1a5k h ALA 498 CO -0.03 0.65 0.00 0.09 0.00 0.00 0.00 179.25 179.95 1a5k n ASN 499 N -4.19 0.07 -0.23 0.00 3.02 -0.02 -4.87 115.26 109.03 1a5k n ASN 499 Ca 0.03 0.52 -0.02 0.00 -0.03 0.00 0.00 54.58 55.08 1a5k n ASN 499 Cb 0.33 -0.53 -0.00 0.00 -0.61 0.00 0.00 39.78 38.97 1a5k n ASN 499 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a5k n GLY 500 N -0.16 0.30 0.32 7.41 0.00 -1.02 -4.95 105.19 107.10 1a5k n GLY 500 Ca 0.03 -0.82 0.01 0.00 0.00 0.00 0.00 46.02 45.24 1a5k n GLY 500 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1a5k h VAL 501 N 0.00 1.05 -0.95 1.61 2.07 -1.64 -1.40 116.25 116.99 1a5k h VAL 501 Ca -0.05 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.15 1a5k h VAL 501 Cb 0.96 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 1a5k h VAL 501 CO 0.06 0.18 0.63 0.00 0.02 0.00 0.00 177.57 178.46 1a5k h ALA 502 N 1.40 1.22 -0.05 1.67 0.00 -1.90 -0.06 119.26 121.54 1a5k h ALA 502 Ca 0.37 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 55.02 1a5k h ALA 502 Cb 0.15 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1a5k h ALA 502 CO -0.17 0.57 -0.83 0.93 0.00 0.00 0.00 179.25 179.76 1a5k h GLU 503 N 1.27 0.46 -0.25 0.00 3.07 -1.75 0.43 114.58 117.81 1a5k h GLU 503 Ca 0.36 -0.43 -0.10 0.00 -0.50 0.00 0.00 59.36 58.69 1a5k h GLU 503 Cb -0.11 0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1a5k h GLU 503 CO -0.09 1.07 -0.24 -0.09 -1.40 0.00 0.00 179.01 178.26 1a5k h ARG 504 N 0.30 0.61 -0.00 2.33 2.43 -0.86 -2.87 114.38 116.31 1a5k h ARG 504 Ca -0.06 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1a5k h ARG 504 Cb 1.44 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.00 1a5k h ARG 504 CO 0.15 0.92 -0.07 1.28 -1.51 0.00 0.00 179.97 180.73 1a5k n LEU 505 N -4.34 0.13 -3.39 3.80 4.77 -0.07 -4.93 117.00 112.96 1a5k n LEU 505 Ca -0.04 0.31 -0.19 0.00 -0.03 0.00 0.00 56.01 56.06 1a5k n LEU 505 Cb 0.44 -0.36 0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1a5k n LEU 505 CO 0.43 0.03 0.15 -3.20 -1.33 0.00 0.00 177.39 173.47 1a5k n ASN 506 N -1.35 -3.35 -4.75 -1.43 2.85 -0.69 -4.94 115.26 101.59 1a5k n ASN 506 Ca 0.10 -0.57 -0.41 0.00 -0.11 0.00 0.00 54.58 53.59 1a5k n ASN 506 Cb 0.30 -4.94 -0.03 0.00 1.24 0.00 0.00 39.78 36.35 1a5k n ASN 506 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1a5k s LEU 507 N -6.49 4.42 0.06 1.20 1.02 0.06 -4.95 118.68 114.00 1a5k s LEU 507 Ca 0.18 2.57 0.22 0.00 0.02 0.00 0.00 54.13 57.11 1a5k s LEU 507 Cb -0.08 -3.63 -0.19 0.00 0.02 0.00 0.00 46.19 42.31 1a5k s LEU 507 CO 0.70 -0.56 0.71 0.54 0.02 0.00 0.00 176.35 177.76 1a5k n ARG 508 N 1.83 0.64 -1.96 1.70 3.00 -1.26 -4.89 116.66 115.72 1a5k n ARG 508 Ca 0.04 -0.04 -0.28 0.00 -0.01 0.00 0.00 57.85 57.55 1a5k n ARG 508 Cb 0.42 -1.66 0.09 0.00 0.00 0.00 0.00 32.46 31.31 1a5k n ARG 508 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1a5k s SER 509 N -4.96 4.47 0.37 0.55 0.01 -1.26 -4.72 113.70 108.15 1a5k s SER 509 Ca -0.05 0.68 -0.26 0.00 1.31 0.00 0.00 55.95 57.63 1a5k s SER 509 Cb 0.12 -1.17 -0.09 0.00 0.21 0.00 0.00 66.02 65.08 1a5k s SER 509 CO 0.85 -1.90 1.15 0.00 0.41 0.00 0.00 173.24 173.75 1a5k s ALA 510 N -3.54 3.23 -0.09 1.44 0.00 -1.12 -4.87 121.76 116.82 1a5k s ALA 510 Ca 0.62 0.95 -0.03 0.00 0.00 0.00 0.00 51.96 53.51 1a5k s ALA 510 Cb -0.10 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1a5k s ALA 510 CO 0.48 -0.42 0.03 0.42 0.00 0.00 0.00 175.76 176.27 1a5k s ILE 511 N -1.36 4.53 0.07 0.00 -1.09 -1.26 -1.33 121.20 120.76 1a5k s ILE 511 Ca 0.54 -0.17 0.05 0.00 -2.23 0.00 0.00 60.65 58.83 1a5k s ILE 511 Cb -0.31 -2.92 -0.03 0.00 -1.58 0.00 0.00 42.46 37.62 1a5k s ILE 511 CO 0.39 0.60 -0.14 0.00 -1.23 0.00 0.00 174.94 174.57 1a5k s ALA 512 N -0.92 1.15 -0.02 9.38 0.00 -0.65 -4.91 121.76 125.79 1a5k s ALA 512 Ca 0.14 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 51.16 1a5k s ALA 512 Cb -0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 1a5k s ALA 512 CO 0.03 0.15 -0.21 0.08 0.00 0.00 0.00 175.76 175.81 1a5k s VAL 513 N -1.31 2.51 0.34 0.00 1.01 -1.26 -0.46 120.40 121.22 1a5k s VAL 513 Ca -0.02 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 60.81 1a5k s VAL 513 Cb -0.10 -1.94 -0.09 0.00 0.00 0.00 0.00 36.38 34.25 1a5k s VAL 513 CO 0.02 0.54 0.77 0.68 0.00 0.00 0.00 175.10 177.11 1a5k s VAL 514 N -0.70 4.64 -0.15 2.92 -7.23 -0.82 -4.91 120.40 114.14 1a5k s VAL 514 Ca 0.11 1.03 -0.29 0.00 -1.81 0.00 0.00 61.98 61.01 1a5k s VAL 514 Cb -0.10 -3.61 0.11 0.00 0.56 0.00 0.00 36.38 33.33 1a5k s VAL 514 CO 0.00 -0.20 0.89 -1.59 -0.31 0.00 0.00 175.10 173.89 1a5k s LYS 515 N -3.00 0.74 0.00 4.82 -2.85 -0.93 -4.38 119.74 114.12 1a5k s LYS 515 Ca 0.55 0.29 0.00 0.00 -1.00 0.00 0.00 55.97 55.81 1a5k s LYS 515 Cb -0.10 0.35 0.00 0.00 -2.06 0.00 0.00 37.83 36.02 1a5k s LYS 515 CO 0.17 -0.21 0.00 0.41 0.10 0.00 0.00 175.35 175.82 1a5k n GLY 516 N 1.10 0.64 0.10 0.59 0.00 -1.26 -4.43 105.19 101.92 1a5k n GLY 516 Ca -0.13 -0.76 -0.06 0.00 0.00 0.00 0.00 46.02 45.07 1a5k n GLY 516 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5k h ARG 518 N 0.02 0.07 0.00 0.00 2.47 -1.89 -3.35 114.38 111.69 1a5k h ARG 518 Ca -0.02 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 1a5k h ARG 518 Cb 1.52 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.88 1a5k h ARG 518 CO 0.12 0.96 0.00 1.79 0.56 0.00 0.00 179.97 183.40 1a5k h THR 519 N 0.02 0.00 -3.96 2.04 1.35 -1.99 -3.42 112.91 106.95 1a5k h THR 519 Ca -0.10 -0.63 -0.49 0.00 -0.55 0.00 0.00 66.41 64.64 1a5k h THR 519 Cb 1.86 1.62 0.03 0.00 -1.73 0.00 0.00 68.15 69.94 1a5k h THR 519 CO 0.14 0.00 0.44 0.68 -0.25 0.00 0.00 175.52 176.53 1a5k s VAL 520 N -3.14 3.52 0.23 6.82 -7.23 -1.24 -5.05 120.40 114.32 1a5k s VAL 520 Ca 0.09 1.19 -0.03 0.00 -1.81 0.00 0.00 61.98 61.43 1a5k s VAL 520 Cb 0.10 -3.63 -0.03 0.00 0.56 0.00 0.00 36.38 33.38 1a5k s VAL 520 CO 0.62 0.03 0.25 0.00 -0.31 0.00 0.00 175.10 175.69 1a5k s GLN 521 N -2.45 1.37 0.31 4.82 -2.07 -1.26 -4.85 119.66 115.53 1a5k s GLN 521 Ca 0.58 -1.58 0.07 0.00 -1.82 0.00 0.00 55.36 52.61 1a5k s GLN 521 Cb -0.25 0.33 0.84 0.00 -1.09 0.00 0.00 33.01 32.84 1a5k s GLN 521 CO 0.31 -0.50 1.69 -0.22 -1.32 0.00 0.00 175.29 175.25 1a5k h LYS 522 N 2.46 0.40 0.00 9.60 1.63 -0.79 0.58 116.57 130.45 1a5k h LYS 522 Ca -0.32 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 1a5k h LYS 522 Cb 1.25 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 1a5k h LYS 522 CO 0.46 0.26 0.00 0.00 -3.45 0.00 0.00 179.45 176.73 1a5k h ALA 523 N 1.75 1.00 0.00 5.00 0.00 -1.82 -1.94 119.26 123.25 1a5k h ALA 523 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.52 1a5k h ALA 523 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1a5k h ALA 523 CO -0.55 0.00 -0.51 -0.25 0.00 0.00 0.00 179.25 177.95 1a5k n ASP 524 N -2.35 0.57 -4.62 0.00 8.00 0.20 -4.83 116.55 113.52 1a5k n ASP 524 Ca -0.00 0.04 -0.43 0.00 0.71 0.00 0.00 54.79 55.11 1a5k n ASP 524 Cb 0.12 0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.30 1a5k n ASP 524 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1a5k s MET 525 N -3.09 3.64 -0.08 -1.24 -1.94 -0.73 -4.92 119.30 110.93 1a5k s MET 525 Ca 0.09 1.45 -0.33 0.00 -1.71 0.00 0.00 55.69 55.18 1a5k s MET 525 Cb 0.15 -4.07 -0.11 0.00 2.01 0.00 0.00 34.83 32.81 1a5k s MET 525 CO 0.69 -1.49 1.93 0.28 -0.01 0.00 0.00 175.02 176.43 1a5k n VAL 526 N 6.80 0.60 -0.87 -6.03 0.31 -1.26 -1.89 118.33 115.99 1a5k n VAL 526 Ca 0.19 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1a5k n VAL 526 Cb 0.46 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 1a5k n VAL 526 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1a5k n HIS 527 N 7.18 0.00 -3.15 3.52 8.25 -1.26 -4.82 115.22 124.94 1a5k n HIS 527 Ca 0.23 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.50 1a5k n HIS 527 Cb 0.32 -1.61 -0.03 0.00 1.12 0.00 0.00 29.99 29.79 1a5k n HIS 527 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1a5k n ASN 528 N -0.61 0.33 -0.34 0.41 3.02 -0.79 -4.68 115.26 112.60 1a5k n ASN 528 Ca 0.00 -2.95 0.03 0.00 -0.03 0.00 0.00 54.58 51.63 1a5k n ASN 528 Cb 0.31 -0.42 0.08 0.00 -0.61 0.00 0.00 39.78 39.14 1a5k n ASN 528 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1a5k n SER 529 N 0.71 2.46 -4.73 6.41 3.41 -1.16 -4.57 113.62 116.16 1a5k n SER 529 Ca 0.22 -1.98 -0.42 0.00 -0.26 0.00 0.00 58.87 56.43 1a5k n SER 529 Cb 0.62 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 1a5k n SER 529 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1a5k s LEU 530 N -0.99 4.37 -0.58 1.04 2.96 -0.76 -4.62 118.68 120.11 1a5k s LEU 530 Ca 0.12 2.63 0.02 0.00 -0.22 0.00 0.00 54.13 56.68 1a5k s LEU 530 Cb 0.06 -3.60 0.15 0.00 0.50 0.00 0.00 46.19 43.30 1a5k s LEU 530 CO 0.08 -0.79 0.35 -1.10 -1.32 0.00 0.00 176.35 173.57 1a5k s GLN 531 N 0.70 2.23 0.50 1.98 -0.21 -1.26 -4.38 119.66 119.23 1a5k s GLN 531 Ca 0.67 -2.67 -0.17 0.00 0.02 0.00 0.00 55.36 53.20 1a5k s GLN 531 Cb -0.43 -3.47 -0.08 0.00 1.00 0.00 0.00 33.01 30.03 1a5k s GLN 531 CO 0.35 -1.15 0.99 -1.25 -2.12 0.00 0.00 175.29 172.11 1a5k s PRO 532 N -0.34 3.95 -1.18 2.91 0.04 -1.26 -4.96 135.00 134.16 1a5k s PRO 532 Ca 0.18 1.02 -0.16 0.00 0.04 0.00 0.00 61.00 62.07 1a5k s PRO 532 Cb -0.22 -2.13 0.13 0.00 0.04 0.00 0.00 34.50 32.31 1a5k s PRO 532 CO -0.02 -0.27 1.47 1.21 0.04 0.00 0.00 177.00 179.43 1a5k s ASN 533 N -2.85 6.90 -0.12 6.66 2.47 -1.26 -4.45 114.94 122.29 1a5k s ASN 533 Ca 0.60 -2.60 -0.06 0.00 0.42 0.00 0.00 52.86 51.22 1a5k s ASN 533 Cb -0.10 -2.46 -0.04 0.00 -1.45 0.00 0.00 41.25 37.20 1a5k s ASN 533 CO 0.28 -0.96 0.12 -0.51 -3.72 0.00 0.00 177.10 172.30 1a5k s ILE 534 N 2.69 5.30 0.10 -5.21 2.07 -1.26 -1.06 121.20 123.83 1a5k s ILE 534 Ca 0.44 0.13 0.03 0.00 -1.41 0.00 0.00 60.65 59.85 1a5k s ILE 534 Cb -0.01 -3.30 -0.04 0.00 0.13 0.00 0.00 42.46 39.24 1a5k s ILE 534 CO -0.00 0.61 -0.10 0.42 -1.91 0.00 0.00 174.94 173.96 1a5k s THR 535 N -0.95 0.90 -0.06 4.00 -4.23 0.10 -4.88 115.64 110.52 1a5k s THR 535 Ca 0.14 -1.65 0.02 0.00 -1.18 0.00 0.00 61.69 59.02 1a5k s THR 535 Cb -0.12 -1.36 0.01 0.00 1.34 0.00 0.00 72.50 72.37 1a5k s THR 535 CO 0.03 -0.58 -0.11 -0.69 -0.54 0.00 0.00 174.62 172.73 1a5k s VAL 536 N -2.52 1.05 -0.17 2.29 1.01 -1.26 -0.67 120.40 120.13 1a5k s VAL 536 Ca 0.06 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 1a5k s VAL 536 Cb -0.02 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 1a5k s VAL 536 CO -0.00 0.34 1.21 -0.62 0.00 0.00 0.00 175.10 176.03 1a5k s ASP 537 N 0.75 6.98 0.46 3.32 -1.08 -0.19 -4.91 116.67 121.99 1a5k s ASP 537 Ca -0.13 1.63 0.19 0.00 -0.52 0.00 0.00 52.55 53.72 1a5k s ASP 537 Cb -0.15 -2.54 1.16 0.00 -1.46 0.00 0.00 42.92 39.92 1a5k s ASP 537 CO 0.03 -0.73 1.93 0.00 0.52 0.00 0.00 175.17 176.92 1a5k h ALA 538 N 8.02 2.25 0.00 3.66 0.00 -1.96 0.39 119.26 131.62 1a5k h ALA 538 Ca -0.25 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1a5k h ALA 538 Cb 1.10 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1a5k h ALA 538 CO 0.97 -0.45 -0.95 1.04 0.00 0.00 0.00 179.25 179.86 1a5k n GLN 539 N -4.45 0.51 0.09 0.00 6.02 -1.26 -4.57 117.38 113.72 1a5k n GLN 539 Ca 0.14 0.51 0.12 0.00 -0.01 0.00 0.00 57.00 57.77 1a5k n GLN 539 Cb 0.58 -1.69 0.29 0.00 1.02 0.00 0.00 30.24 30.44 1a5k n GLN 539 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1a5k n THR 540 N -4.51 0.50 -0.93 5.09 -2.24 -1.21 -4.94 114.28 106.02 1a5k n THR 540 Ca -0.20 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1a5k n THR 540 Cb 0.48 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1a5k n THR 540 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1a5k n TYR 541 N -2.21 0.00 -2.05 4.78 4.01 0.14 -4.95 117.16 116.87 1a5k n TYR 541 Ca 0.04 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.37 1a5k n TYR 541 Cb 0.44 -0.96 -0.02 0.00 -0.31 0.00 0.00 39.34 38.49 1a5k n TYR 541 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1a5k s GLU 542 N -0.89 4.30 -0.19 -0.72 2.02 -1.26 -4.40 118.70 117.56 1a5k s GLU 542 Ca 0.00 2.27 -0.10 0.00 0.02 0.00 0.00 54.97 57.16 1a5k s GLU 542 Cb 0.00 -3.08 -0.05 0.00 0.10 0.00 0.00 34.13 31.10 1a5k s GLU 542 CO 0.00 -0.31 0.15 0.08 0.02 0.00 0.00 175.26 175.20 1a5k s VAL 543 N -0.61 5.40 -0.01 2.63 1.01 -1.26 -1.02 120.40 126.54 1a5k s VAL 543 Ca 0.54 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.79 1a5k s VAL 543 Cb -0.41 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 1a5k s VAL 543 CO 0.49 0.44 -0.11 -0.13 0.00 0.00 0.00 175.10 175.80 1a5k s ARG 544 N 0.29 0.87 -0.17 2.72 0.52 0.16 -1.71 118.95 121.63 1a5k s ARG 544 Ca 0.09 -0.39 0.01 0.00 -0.52 0.00 0.00 55.73 54.92 1a5k s ARG 544 Cb -0.11 -0.84 0.02 0.00 0.52 0.00 0.00 34.95 34.53 1a5k s ARG 544 CO -0.01 0.23 -0.20 0.08 0.02 0.00 0.00 175.30 175.42 1a5k s VAL 545 N -0.26 2.08 -1.41 3.52 1.01 -0.07 0.01 120.40 125.27 1a5k s VAL 545 Ca 0.04 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 1a5k s VAL 545 Cb -0.04 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.48 1a5k s VAL 545 CO -0.00 0.54 0.17 0.47 0.00 0.00 0.00 175.10 176.27 1a5k n ASP 546 N 4.53 -4.93 0.00 3.32 8.00 -0.23 -1.04 116.55 126.20 1a5k n ASP 546 Ca -0.21 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.26 1a5k n ASP 546 Cb 0.50 -4.11 0.00 0.00 -0.02 0.00 0.00 41.12 37.50 1a5k n ASP 546 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a5k n GLY 547 N -1.04 2.99 3.79 0.44 0.00 -1.26 -5.02 105.19 105.08 1a5k n GLY 547 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 1a5k n GLY 547 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a5k s GLU 548 N -0.22 4.29 -0.01 1.61 -1.05 -0.21 -4.96 118.70 118.16 1a5k s GLU 548 Ca 0.00 1.41 -0.29 0.00 -0.15 0.00 0.00 54.97 55.94 1a5k s GLU 548 Cb 0.00 -2.57 -0.03 0.00 -0.44 0.00 0.00 34.13 31.09 1a5k s GLU 548 CO 0.00 -0.01 0.94 -1.17 0.95 0.00 0.00 175.26 175.97 1a5k s LEU 549 N -2.55 4.36 -0.22 1.83 2.96 -1.26 -0.90 118.68 122.90 1a5k s LEU 549 Ca 0.56 1.58 -0.07 0.00 -0.22 0.00 0.00 54.13 55.98 1a5k s LEU 549 Cb -0.19 -3.49 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 1a5k s LEU 549 CO 0.24 -0.24 0.06 -0.63 -1.32 0.00 0.00 176.35 174.47 1a5k s ILE 550 N 0.99 4.45 0.24 6.68 -1.09 -0.69 -4.94 121.20 126.84 1a5k s ILE 550 Ca 0.50 -0.14 -0.21 0.00 -2.23 0.00 0.00 60.65 58.57 1a5k s ILE 550 Cb -0.20 -3.05 0.05 0.00 -1.58 0.00 0.00 42.46 37.68 1a5k s ILE 550 CO 0.26 0.38 0.89 0.28 -1.23 0.00 0.00 174.94 175.52 1a5k s THR 551 N 1.15 0.00 0.22 2.92 -1.32 -1.26 -4.49 115.64 112.86 1a5k s THR 551 Ca 0.04 -0.80 -0.20 0.00 -1.21 0.00 0.00 61.69 59.52 1a5k s THR 551 Cb -0.14 -2.39 0.04 0.00 -1.51 0.00 0.00 72.50 68.50 1a5k s THR 551 CO 0.03 0.00 0.63 -0.94 -2.21 0.00 0.00 174.62 172.13 1a5k s SER 552 N -3.07 -0.35 0.05 8.08 1.04 -1.26 -4.85 113.70 113.35 1a5k s SER 552 Ca 0.15 -0.41 -0.08 0.00 0.48 0.00 0.00 55.95 56.09 1a5k s SER 552 Cb -0.03 0.65 -0.05 0.00 0.10 0.00 0.00 66.02 66.68 1a5k s SER 552 CO 0.06 -1.16 0.34 -1.61 0.98 0.00 0.00 173.24 171.85 1a5k s GLU 553 N -3.86 3.67 0.03 4.02 0.41 -1.26 -4.88 118.70 116.82 1a5k s GLU 553 Ca 0.08 0.03 -0.30 0.00 -0.41 0.00 0.00 54.97 54.37 1a5k s GLU 553 Cb -0.03 -3.02 -0.05 0.00 -1.78 0.00 0.00 34.13 29.24 1a5k s GLU 553 CO -0.01 0.59 1.26 -1.25 -0.49 0.00 0.00 175.26 175.36 1a5k s PRO 554 N -1.90 4.37 0.25 0.39 0.04 -1.26 -4.87 135.00 132.02 1a5k s PRO 554 Ca 0.31 1.82 -0.30 0.00 0.04 0.00 0.00 61.00 62.87 1a5k s PRO 554 Cb -0.13 -3.42 -0.09 0.00 0.04 0.00 0.00 34.50 30.89 1a5k s PRO 554 CO 0.18 -0.38 1.07 0.00 0.04 0.00 0.00 177.00 177.91 1a5k s ALA 555 N 1.57 3.39 -0.11 8.56 0.00 -0.33 -4.57 121.76 130.27 1a5k s ALA 555 Ca 0.60 0.82 0.10 0.00 0.00 0.00 0.00 51.96 53.48 1a5k s ALA 555 Cb -0.30 -3.31 -0.24 0.00 0.00 0.00 0.00 23.12 19.28 1a5k s ALA 555 CO 0.27 -0.09 0.42 -0.40 0.00 0.00 0.00 175.76 175.96 1a5k n ASP 556 N 1.46 0.97 -3.91 0.00 5.75 -1.26 -0.77 116.55 118.79 1a5k n ASP 556 Ca -0.01 0.25 -0.13 0.00 -0.01 0.00 0.00 54.79 54.90 1a5k n ASP 556 Cb 0.45 0.01 -0.14 0.00 -1.03 0.00 0.00 41.12 40.42 1a5k n ASP 556 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1a5k s VAL 557 N -2.56 0.15 0.15 2.12 1.01 -1.26 -4.89 120.40 115.12 1a5k s VAL 557 Ca -0.11 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 61.76 1a5k s VAL 557 Cb 0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.26 1a5k s VAL 557 CO 0.80 -0.02 -0.16 -0.76 0.00 0.00 0.00 175.10 174.95 1a5k s LEU 558 N -0.22 2.44 0.91 3.92 1.43 -1.26 -5.14 118.68 120.76 1a5k s LEU 558 Ca -0.01 -0.86 -0.13 0.00 -1.03 0.00 0.00 54.13 52.09 1a5k s LEU 558 Cb -0.02 -0.71 0.18 0.00 0.03 0.00 0.00 46.19 45.67 1a5k s LEU 558 CO -0.00 -0.09 1.26 -2.84 0.23 0.00 0.00 176.35 174.91 1a5k s PRO 559 N -2.85 0.89 -1.44 1.29 0.02 -1.26 -4.10 135.00 127.56 1a5k s PRO 559 Ca 0.14 -0.48 -0.09 0.00 0.02 0.00 0.00 61.00 60.59 1a5k s PRO 559 Cb -0.05 -1.93 0.06 0.00 0.02 0.00 0.00 34.50 32.60 1a5k s PRO 559 CO 0.05 -2.21 0.70 -1.33 -0.33 0.00 0.00 177.00 173.88 1a5k n MET 560 N -3.59 -4.61 0.00 5.54 2.81 -1.26 -4.90 117.12 111.12 1a5k n MET 560 Ca 0.15 0.64 0.00 0.00 -1.81 0.00 0.00 57.70 56.68 1a5k n MET 560 Cb 0.60 -5.46 0.00 0.00 -0.71 0.00 0.00 33.22 27.65 1a5k n MET 560 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a5k n ALA 561 N -3.94 0.00 0.23 3.04 0.00 -1.26 -4.93 120.51 113.66 1a5k n ALA 561 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.53 1a5k n ALA 561 Cb 0.56 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.63 1a5k n ALA 561 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1a5k h GLN 562 N 0.00 0.00 0.00 0.00 4.20 -1.90 -1.35 115.11 116.06 1a5k h GLN 562 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1a5k h GLN 562 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1a5k h GLN 562 CO 0.00 0.00 0.00 -0.09 -0.67 0.00 0.00 178.83 178.07 1a5k h ARG 563 N 0.00 0.00 0.00 1.46 2.43 -1.93 -3.36 114.38 112.98 1a5k h ARG 563 Ca 0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1a5k h ARG 563 Cb 0.44 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1a5k h ARG 563 CO 0.00 0.00 -1.56 0.66 -1.51 0.00 0.00 179.97 177.56 1a5k n TYR 564 N -2.98 0.00 -3.91 2.20 4.02 -0.52 -5.03 117.16 110.94 1a5k n TYR 564 Ca 0.03 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.57 1a5k n TYR 564 Cb 0.47 -0.36 -0.08 0.00 -0.02 0.00 0.00 39.34 39.34 1a5k n TYR 564 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1a5k s PHE 565 N -2.41 3.39 0.38 -0.72 0.08 -1.17 -4.99 117.98 112.55 1a5k s PHE 565 Ca -0.04 0.30 0.17 0.00 0.12 0.00 0.00 56.93 57.48 1a5k s PHE 565 Cb 0.04 -2.04 0.94 0.00 -0.57 0.00 0.00 43.02 41.39 1a5k s PHE 565 CO 0.39 0.39 1.91 1.25 -0.10 0.00 0.00 175.22 179.06 1a5k h LEU 566 N 6.07 0.00 -0.18 -0.37 5.85 -1.94 -3.46 115.31 121.27 1a5k h LEU 566 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1a5k h LEU 566 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1a5k h LEU 566 CO 0.67 0.28 0.00 0.49 -0.34 0.00 0.00 178.44 179.54