#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lrk s ARG 2 N 0.00 3.29 -0.12 0.03 0.52 -1.26 -1.56 118.95 119.85 1lrk s ARG 2 Ca 0.00 -0.71 0.02 0.00 -0.52 0.00 0.00 55.73 54.52 1lrk s ARG 2 Cb 0.00 -3.88 -0.00 0.00 0.52 0.00 0.00 34.95 31.59 1lrk s ARG 2 CO 0.00 -0.62 -0.20 0.54 0.02 0.00 0.00 175.30 175.03 1lrk s VAL 3 N 1.86 2.33 -0.21 3.52 0.11 0.08 0.02 120.40 128.10 1lrk s VAL 3 Ca 0.08 -0.91 -0.14 0.00 -2.93 0.00 0.00 61.98 58.08 1lrk s VAL 3 Cb -0.18 -1.93 -0.04 0.00 -1.53 0.00 0.00 36.38 32.70 1lrk s VAL 3 CO 0.11 0.54 0.34 -0.22 -3.33 0.00 0.00 175.10 172.54 1lrk s LEU 4 N 0.50 4.14 -0.38 2.54 2.96 -0.78 -0.73 118.68 126.93 1lrk s LEU 4 Ca -0.13 0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 54.15 1lrk s LEU 4 Cb -0.17 -2.41 0.09 0.00 0.50 0.00 0.00 46.19 44.20 1lrk s LEU 4 CO 0.05 -0.04 0.16 -0.69 -1.32 0.00 0.00 176.35 174.51 1lrk s VAL 5 N 1.25 3.38 0.38 1.68 1.01 0.14 -1.66 120.40 126.58 1lrk s VAL 5 Ca 0.16 -1.76 -0.25 0.00 0.00 0.00 0.00 61.98 60.14 1lrk s VAL 5 Cb -0.14 -3.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.97 1lrk s VAL 5 CO 0.07 -0.50 1.04 0.42 0.00 0.00 0.00 175.10 176.13 1lrk s THR 6 N 1.22 3.76 -1.06 3.92 -4.23 -0.71 -1.80 115.64 116.74 1lrk s THR 6 Ca 0.04 1.38 0.00 0.00 -1.18 0.00 0.00 61.69 61.93 1lrk s THR 6 Cb -0.22 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 69.89 1lrk s THR 6 CO -0.02 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1lrk n GLY 7 N 0.42 1.12 0.37 3.99 0.00 0.21 -1.76 105.19 109.54 1lrk n GLY 7 Ca 0.04 -0.39 0.19 0.00 0.00 0.00 0.00 46.02 45.87 1lrk n GLY 7 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1lrk h GLY 8 N 0.00 0.00 0.10 -0.02 0.00 -1.60 -1.20 103.07 100.35 1lrk h GLY 8 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1lrk h GLY 8 CO 0.30 0.00 -0.17 -1.14 0.00 0.00 0.00 176.54 175.53 1lrk n SER 9 N -3.73 1.10 -2.13 0.19 3.41 -1.26 -1.80 113.62 109.40 1lrk n SER 9 Ca 0.05 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 1lrk n SER 9 Cb 0.51 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1lrk n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lrk n GLY 10 N 1.29 -1.35 0.05 5.00 0.00 -0.45 -4.63 105.19 105.09 1lrk n GLY 10 Ca 0.14 -1.63 -0.02 0.00 0.00 0.00 0.00 46.02 44.52 1lrk n GLY 10 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1lrk h TYR 11 N -1.05 -0.12 -0.63 1.61 3.20 -1.91 0.16 116.97 118.22 1lrk h TYR 11 Ca 0.00 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1lrk h TYR 11 Cb 0.00 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 1lrk h TYR 11 CO 0.00 -0.08 0.26 0.82 -1.64 0.00 0.00 178.16 177.53 1lrk h ILE 12 N -0.14 1.23 -0.47 1.81 2.04 -1.95 -3.10 117.51 116.94 1lrk h ILE 12 Ca -0.01 -0.71 0.04 0.00 1.00 0.00 0.00 64.86 65.18 1lrk h ILE 12 Cb 0.10 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 1lrk h ILE 12 CO 0.02 0.28 0.24 1.23 0.00 0.00 0.00 178.15 179.92 1lrk h GLY 13 N 0.88 0.65 0.72 5.37 0.00 -1.74 -0.68 103.07 108.27 1lrk h GLY 13 Ca 0.21 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.41 1lrk h GLY 13 CO -0.02 0.11 0.05 1.48 0.00 0.00 0.00 176.54 178.16 1lrk h SER 14 N 0.47 0.01 -0.63 0.19 4.64 0.12 0.14 113.55 118.49 1lrk h SER 14 Ca 0.20 0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.54 1lrk h SER 14 Cb 0.11 0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 1lrk h SER 14 CO -0.14 0.04 0.31 0.45 -0.87 0.00 0.00 176.83 176.62 1lrk h HIS 15 N 0.15 0.91 -0.92 4.77 -0.00 -1.48 -1.89 115.15 116.70 1lrk h HIS 15 Ca 0.11 -0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.43 1lrk h HIS 15 Cb 0.11 -0.28 -0.04 0.00 -0.00 0.00 0.00 27.41 27.20 1lrk h HIS 15 CO -0.16 0.69 0.55 1.15 -0.00 0.00 0.00 177.93 180.17 1lrk h THR 16 N 0.87 1.25 -0.66 2.45 2.02 -0.50 -2.38 112.91 115.96 1lrk h THR 16 Ca 0.22 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 1lrk h THR 16 Cb 0.12 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.45 1lrk h THR 16 CO -0.03 0.26 0.31 0.00 0.37 0.00 0.00 175.52 176.43 1lrk h VAL 18 N 0.92 0.96 -0.74 0.00 2.07 -0.87 -1.57 116.25 117.02 1lrk h VAL 18 Ca 0.22 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 1lrk h VAL 18 Cb 0.14 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1lrk h VAL 18 CO -0.03 0.10 0.24 1.56 0.02 0.00 0.00 177.57 179.46 1lrk h GLN 19 N 0.56 1.14 -0.24 1.57 1.08 -1.08 -0.86 115.11 117.28 1lrk h GLN 19 Ca 0.24 -0.24 0.03 0.00 -1.45 0.00 0.00 58.65 57.24 1lrk h GLN 19 Cb 0.14 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 1lrk h GLN 19 CO -0.16 0.97 0.04 -0.07 -0.95 0.00 0.00 178.83 178.65 1lrk h LEU 20 N 1.09 -0.01 -0.91 1.46 3.38 -0.59 -1.30 115.31 118.44 1lrk h LEU 20 Ca 0.24 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 1lrk h LEU 20 Cb 0.30 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1lrk h LEU 20 CO -0.01 0.03 0.44 -0.07 0.09 0.00 0.00 178.44 178.92 1lrk h LEU 21 N 0.13 1.10 -1.39 1.67 3.38 -1.02 -1.69 115.31 117.49 1lrk h LEU 21 Ca 0.11 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1lrk h LEU 21 Cb 0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1lrk h LEU 21 CO -0.15 0.91 0.10 1.56 0.09 0.00 0.00 178.44 180.95 1lrk h GLN 22 N 1.22 0.52 -0.09 1.13 1.08 -0.86 0.02 115.11 118.13 1lrk h GLN 22 Ca 0.30 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 1lrk h GLN 22 Cb 0.07 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1lrk h GLN 22 CO -0.04 0.46 0.00 0.09 -0.95 0.00 0.00 178.83 178.39 1lrk n ASN 23 N -4.36 0.69 -0.04 1.46 4.13 -0.52 -4.90 115.26 111.72 1lrk n ASN 23 Ca 0.02 -1.65 -0.01 0.00 1.68 0.00 0.00 54.58 54.62 1lrk n ASN 23 Cb 0.17 -0.06 -0.00 0.00 -1.54 0.00 0.00 39.78 38.35 1lrk n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1lrk n GLY 24 N 0.88 0.47 3.90 7.41 0.00 -0.01 -5.00 105.19 112.83 1lrk n GLY 24 Ca 0.12 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 1lrk n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1lrk s HIS 25 N -1.99 3.20 -0.32 1.61 3.76 -0.71 -4.73 115.29 116.12 1lrk s HIS 25 Ca 0.00 0.87 -0.15 0.00 -0.15 0.00 0.00 55.06 55.63 1lrk s HIS 25 Cb 0.00 -3.11 -0.02 0.00 1.11 0.00 0.00 32.58 30.56 1lrk s HIS 25 CO 0.00 -1.26 0.34 -0.51 -0.85 0.00 0.00 174.74 172.46 1lrk s ASP 26 N -4.41 6.18 -0.14 1.40 1.11 -0.60 -4.51 116.67 115.70 1lrk s ASP 26 Ca 0.58 -0.08 -0.03 0.00 0.18 0.00 0.00 52.55 53.20 1lrk s ASP 26 Cb -0.11 -2.19 -0.03 0.00 1.07 0.00 0.00 42.92 41.66 1lrk s ASP 26 CO 0.49 -0.27 -0.05 -0.69 1.18 0.00 0.00 175.17 175.84 1lrk s VAL 27 N 2.00 3.81 -0.21 -1.27 1.01 -1.26 -0.74 120.40 123.74 1lrk s VAL 27 Ca 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1lrk s VAL 27 Cb -0.16 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.59 1lrk s VAL 27 CO 0.11 0.51 -0.15 -0.63 0.00 0.00 0.00 175.10 174.95 1lrk s ILE 28 N 0.19 2.37 -0.20 2.22 1.09 0.09 -0.69 121.20 126.27 1lrk s ILE 28 Ca -0.03 -0.99 -0.12 0.00 -1.10 0.00 0.00 60.65 58.41 1lrk s ILE 28 Cb -0.14 -2.10 -0.05 0.00 -1.06 0.00 0.00 42.46 39.11 1lrk s ILE 28 CO 0.03 0.39 0.22 -0.63 -0.10 0.00 0.00 174.94 174.85 1lrk s ILE 29 N 1.29 5.34 -0.20 2.92 1.01 0.21 0.25 121.20 132.02 1lrk s ILE 29 Ca 0.02 0.36 0.01 0.00 0.00 0.00 0.00 60.65 61.04 1lrk s ILE 29 Cb -0.15 -3.56 0.03 0.00 0.01 0.00 0.00 42.46 38.79 1lrk s ILE 29 CO -0.09 0.38 -0.16 -0.22 0.00 0.00 0.00 174.94 174.85 1lrk s LEU 30 N 0.64 2.52 -0.05 2.97 1.98 -0.75 -0.56 118.68 125.44 1lrk s LEU 30 Ca 0.12 -0.78 -0.08 0.00 -2.89 0.00 0.00 54.13 50.51 1lrk s LEU 30 Cb -0.13 -1.53 0.01 0.00 0.66 0.00 0.00 46.19 45.21 1lrk s LEU 30 CO 0.02 -0.05 0.19 -0.62 -1.89 0.00 0.00 176.35 174.00 1lrk s ASP 31 N 1.28 -0.14 0.00 3.68 2.15 -0.80 -0.62 116.67 122.21 1lrk s ASP 31 Ca 0.02 0.20 0.25 0.00 0.43 0.00 0.00 52.55 53.45 1lrk s ASP 31 Cb -0.15 0.34 0.68 0.00 -0.30 0.00 0.00 42.92 43.50 1lrk s ASP 31 CO -0.10 -0.18 1.53 -0.46 -0.17 0.00 0.00 175.17 175.79 1lrk n ASN 32 N 2.42 2.18 -1.41 -0.34 2.04 -0.70 -1.41 115.26 118.05 1lrk n ASN 32 Ca -0.16 -1.74 -0.18 0.00 -0.44 0.00 0.00 54.58 52.06 1lrk n ASN 32 Cb 0.58 -0.05 -0.07 0.00 -2.53 0.00 0.00 39.78 37.70 1lrk n ASN 32 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1lrk n LEU 33 N 0.68 -1.33 0.22 -4.53 4.77 -1.26 -4.84 117.00 110.71 1lrk n LEU 33 Ca 0.17 0.39 0.11 0.00 -0.03 0.00 0.00 56.01 56.65 1lrk n LEU 33 Cb 0.45 -2.50 0.31 0.00 -2.33 0.00 0.00 43.42 39.35 1lrk n LEU 33 CO 0.15 -0.85 0.77 0.00 -1.33 0.00 0.00 177.39 176.14 1lrk n ASN 35 N -3.19 0.61 -3.99 0.00 5.15 -1.26 -5.08 115.26 107.49 1lrk n ASN 35 Ca 0.02 -2.27 -0.10 0.00 -0.60 0.00 0.00 54.58 51.63 1lrk n ASN 35 Cb 0.50 -0.26 -0.06 0.00 -0.53 0.00 0.00 39.78 39.43 1lrk n ASN 35 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1lrk s SER 36 N -1.53 -0.04 0.07 1.20 1.04 -1.25 -4.91 113.70 108.28 1lrk s SER 36 Ca 0.10 -0.93 0.09 0.00 0.48 0.00 0.00 55.95 55.69 1lrk s SER 36 Cb 0.10 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.71 1lrk s SER 36 CO -0.01 -1.03 -0.23 -0.54 0.98 0.00 0.00 173.24 172.41 1lrk s LYS 37 N -4.01 1.44 0.62 4.02 1.02 -1.26 -4.67 119.74 116.90 1lrk s LYS 37 Ca 0.22 -1.09 0.33 0.00 0.02 0.00 0.00 55.97 55.44 1lrk s LYS 37 Cb 0.01 -1.66 1.85 0.00 -0.52 0.00 0.00 37.83 37.51 1lrk s LYS 37 CO 0.06 0.41 2.14 0.00 -0.92 0.00 0.00 175.35 177.05 1lrk h ARG 38 N 4.53 0.00 0.00 1.68 3.08 -1.96 -2.74 114.38 118.97 1lrk h ARG 38 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1lrk h ARG 38 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1lrk h ARG 38 CO 0.42 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.98 1lrk h SER 39 N 0.00 0.00 1.48 7.04 4.64 -1.95 -1.97 113.55 122.79 1lrk h SER 39 Ca 0.04 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.28 1lrk h SER 39 Cb 0.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1lrk h SER 39 CO -0.00 0.00 -0.39 1.62 -0.87 0.00 0.00 176.83 177.19 1lrk h VAL 40 N 0.00 0.69 -0.42 0.95 3.04 -1.85 -3.34 116.25 115.33 1lrk h VAL 40 Ca 0.00 -1.88 0.09 0.00 -1.01 0.00 0.00 66.70 63.90 1lrk h VAL 40 Cb 0.03 2.26 -0.09 0.00 -2.01 0.00 0.00 31.29 31.48 1lrk h VAL 40 CO 0.00 0.38 -0.26 -0.07 -1.01 0.00 0.00 177.57 176.61 1lrk h LEU 41 N 0.00 -0.87 -1.80 3.16 3.38 -1.58 0.38 115.31 117.98 1lrk h LEU 41 Ca -0.00 0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1lrk h LEU 41 Cb 1.23 0.44 -0.00 0.00 0.09 0.00 0.00 40.66 42.42 1lrk h LEU 41 CO 0.05 -0.28 -0.15 1.55 0.09 0.00 0.00 178.44 179.70 1lrk h PRO 42 N -0.18 0.00 -0.22 1.13 0.13 -1.76 -1.14 132.00 129.96 1lrk h PRO 42 Ca 0.19 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.17 1lrk h PRO 42 Cb 0.49 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1lrk h PRO 42 CO -0.52 0.15 -0.48 0.28 -0.23 0.00 0.00 178.00 177.19 1lrk h VAL 43 N 0.00 1.31 -0.24 1.56 2.07 -0.68 -2.19 116.25 118.08 1lrk h VAL 43 Ca -0.00 -1.70 0.03 0.00 0.82 0.00 0.00 66.70 65.85 1lrk h VAL 43 Cb 0.31 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1lrk h VAL 43 CO 0.02 0.54 0.06 0.40 0.02 0.00 0.00 177.57 178.61 1lrk h ILE 44 N 0.43 0.91 -0.91 4.57 2.04 0.29 -0.19 117.51 124.64 1lrk h ILE 44 Ca 0.00 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.81 1lrk h ILE 44 Cb 1.09 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 1lrk h ILE 44 CO 0.11 0.03 0.60 -0.08 0.00 0.00 0.00 178.15 178.80 1lrk h GLU 45 N 0.16 1.21 -0.03 2.37 4.81 -1.16 0.82 114.58 122.76 1lrk h GLU 45 Ca 0.11 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1lrk h GLU 45 Cb 0.09 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 1lrk h GLU 45 CO -0.13 0.81 -0.00 -0.09 -0.73 0.00 0.00 179.01 178.87 1lrk h ARG 46 N 1.24 0.06 0.00 1.92 2.43 -0.98 -0.68 114.38 118.38 1lrk h ARG 46 Ca 0.33 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.41 1lrk h ARG 46 Cb -0.13 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1lrk h ARG 46 CO -0.07 0.38 -0.34 -0.07 -1.51 0.00 0.00 179.97 178.36 1lrk h LEU 47 N -0.26 0.00 0.00 3.80 3.38 -0.92 -2.89 115.31 118.42 1lrk h LEU 47 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1lrk h LEU 47 Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1lrk h LEU 47 CO 0.00 0.34 -0.41 1.23 0.09 0.00 0.00 178.44 179.69 1lrk h GLY 48 N 1.48 0.00 -0.74 0.83 0.00 -0.72 -3.47 103.07 100.44 1lrk h GLY 48 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1lrk h GLY 48 CO 0.04 0.00 -0.16 0.61 0.00 0.00 0.00 176.54 177.03 1lrk n GLY 49 N 1.15 0.40 3.56 4.60 0.00 -0.30 -3.28 105.19 111.32 1lrk n GLY 49 Ca 0.02 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 1lrk n GLY 49 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lrk s LYS 50 N -3.68 0.60 -0.15 1.61 2.20 -0.94 -5.01 119.74 114.37 1lrk s LYS 50 Ca 0.00 0.00 -0.21 0.00 -0.36 0.00 0.00 55.97 55.40 1lrk s LYS 50 Cb 0.00 0.28 -0.03 0.00 -1.51 0.00 0.00 37.83 36.57 1lrk s LYS 50 CO 0.00 -0.22 0.62 -1.58 -0.36 0.00 0.00 175.35 173.82 1lrk s HIS 51 N -1.73 3.45 0.07 4.03 5.65 -1.26 -4.48 115.29 121.02 1lrk s HIS 51 Ca 0.01 1.01 -0.10 0.00 0.25 0.00 0.00 55.06 56.23 1lrk s HIS 51 Cb -0.01 -2.76 -0.06 0.00 -1.18 0.00 0.00 32.58 28.58 1lrk s HIS 51 CO -0.02 -0.05 0.39 -1.25 -0.65 0.00 0.00 174.74 173.16 1lrk s PRO 52 N 1.40 3.75 0.11 2.88 0.04 -1.26 -4.76 135.00 137.16 1lrk s PRO 52 Ca 0.31 0.17 -0.23 0.00 0.04 0.00 0.00 61.00 61.28 1lrk s PRO 52 Cb -0.16 -3.02 -0.07 0.00 0.04 0.00 0.00 34.50 31.29 1lrk s PRO 52 CO 0.12 0.57 0.71 0.99 0.04 0.00 0.00 177.00 179.44 1lrk s THR 53 N -1.37 4.55 -0.10 1.26 2.01 0.13 -4.91 115.64 117.21 1lrk s THR 53 Ca 0.32 1.54 0.00 0.00 0.31 0.00 0.00 61.69 63.86 1lrk s THR 53 Cb -0.14 -4.06 -0.02 0.00 0.01 0.00 0.00 72.50 68.29 1lrk s THR 53 CO 0.18 0.50 -0.10 0.12 -0.69 0.00 0.00 174.62 174.63 1lrk s PHE 54 N -0.92 2.86 -0.09 4.92 5.36 -1.26 0.63 117.98 129.48 1lrk s PHE 54 Ca 0.34 -0.28 -0.00 0.00 -0.96 0.00 0.00 56.93 56.02 1lrk s PHE 54 Cb -0.21 -1.78 0.02 0.00 -0.34 0.00 0.00 43.02 40.71 1lrk s PHE 54 CO 0.23 0.06 -0.05 0.08 -1.46 0.00 0.00 175.22 174.09 1lrk s VAL 55 N -0.22 0.76 -0.15 3.12 1.01 0.28 -4.96 120.40 120.25 1lrk s VAL 55 Ca 0.02 -0.14 -0.22 0.00 0.00 0.00 0.00 61.98 61.64 1lrk s VAL 55 Cb -0.13 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 1lrk s VAL 55 CO 0.03 0.32 0.66 -0.70 0.00 0.00 0.00 175.10 175.41 1lrk s GLU 56 N 1.67 4.30 0.00 2.72 2.12 -1.26 -1.91 118.70 126.34 1lrk s GLU 56 Ca 0.02 0.74 0.00 0.00 0.36 0.00 0.00 54.97 56.09 1lrk s GLU 56 Cb -0.13 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.74 1lrk s GLU 56 CO -0.06 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 174.95 1lrk n GLY 57 N 3.49 -1.32 3.30 -1.50 0.00 -0.50 -4.91 105.19 103.75 1lrk n GLY 57 Ca -0.01 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.73 1lrk n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lrk s ASP 58 N -1.84 2.99 0.59 1.61 -1.08 -1.26 -1.71 116.67 115.97 1lrk s ASP 58 Ca 0.00 -0.47 0.31 0.00 -0.52 0.00 0.00 52.55 51.87 1lrk s ASP 58 Cb 0.00 -0.33 1.86 0.00 -1.46 0.00 0.00 42.92 42.99 1lrk s ASP 58 CO 0.00 0.31 2.26 0.16 0.52 0.00 0.00 175.17 178.42 1lrk h ILE 59 N 4.49 0.49 0.00 4.11 3.07 -1.95 -1.90 117.51 125.82 1lrk h ILE 59 Ca -0.43 -0.01 0.00 0.00 1.55 0.00 0.00 64.86 65.97 1lrk h ILE 59 Cb 1.12 1.01 0.00 0.00 -0.27 0.00 0.00 36.82 38.68 1lrk h ILE 59 CO 0.47 0.00 0.00 0.03 -1.05 0.00 0.00 178.15 177.60 1lrk h ARG 60 N 0.00 0.00 -5.20 0.16 3.08 -1.89 -3.33 114.38 107.20 1lrk h ARG 60 Ca -0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.37 1lrk h ARG 60 Cb 0.01 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 29.90 1lrk h ARG 60 CO 0.00 0.00 1.07 1.21 -1.07 0.00 0.00 179.97 181.18 1lrk s ASN 61 N -5.10 6.67 0.33 7.04 3.84 -0.72 -4.87 114.94 122.13 1lrk s ASN 61 Ca 0.02 -2.08 0.04 0.00 0.21 0.00 0.00 52.86 51.05 1lrk s ASN 61 Cb 0.09 -2.43 0.66 0.00 -0.55 0.00 0.00 41.25 39.02 1lrk s ASN 61 CO 0.47 -1.10 1.91 -0.08 -2.79 0.00 0.00 177.10 175.52 1lrk h GLU 62 N 8.73 0.84 -0.34 0.43 4.81 -1.85 -1.58 114.58 125.63 1lrk h GLU 62 Ca 0.20 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1lrk h GLU 62 Cb 1.00 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 1lrk h GLU 62 CO 1.19 0.55 0.16 0.00 -0.73 0.00 0.00 179.01 180.19 1lrk h ALA 63 N 1.56 0.43 -0.50 2.92 0.00 -1.94 -0.43 119.26 121.29 1lrk h ALA 63 Ca 0.38 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 1lrk h ALA 63 Cb 0.35 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1lrk h ALA 63 CO -0.15 -0.01 -0.16 1.25 0.00 0.00 0.00 179.25 180.18 1lrk h LEU 64 N 0.41 1.00 -0.54 0.00 5.85 -1.84 -2.20 115.31 117.99 1lrk h LEU 64 Ca 0.12 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.52 1lrk h LEU 64 Cb 0.11 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1lrk h LEU 64 CO -0.02 1.14 0.29 0.24 -0.34 0.00 0.00 178.44 179.76 1lrk h MET 65 N 0.87 0.55 -0.40 1.25 2.86 -0.93 -1.76 114.93 117.38 1lrk h MET 65 Ca 0.12 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.75 1lrk h MET 65 Cb 0.73 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 1lrk h MET 65 CO 0.06 0.37 0.24 1.15 1.06 0.00 0.00 176.91 179.78 1lrk h THR 66 N 0.57 1.05 -0.08 2.22 2.02 -0.76 -1.72 112.91 116.20 1lrk h THR 66 Ca 0.23 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 67.29 1lrk h THR 66 Cb 0.11 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.00 1lrk h THR 66 CO -0.14 0.09 -0.26 -0.08 0.37 0.00 0.00 175.52 175.50 1lrk h GLU 67 N 0.48 -0.34 -0.08 6.66 4.81 -1.05 -1.62 114.58 123.43 1lrk h GLU 67 Ca 0.16 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1lrk h GLU 67 Cb -0.00 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1lrk h GLU 67 CO -0.07 -0.22 -0.17 0.82 -0.73 0.00 0.00 179.01 178.64 1lrk h ILE 68 N -0.35 0.58 -1.01 2.32 2.04 -1.20 0.55 117.51 120.44 1lrk h ILE 68 Ca 0.09 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.02 1lrk h ILE 68 Cb 0.48 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 37.06 1lrk h ILE 68 CO -0.28 0.00 0.65 -0.07 0.00 0.00 0.00 178.15 178.44 1lrk h LEU 69 N -0.23 1.02 0.15 1.44 3.38 -0.99 0.26 115.31 120.33 1lrk h LEU 69 Ca 0.08 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1lrk h LEU 69 Cb 0.35 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1lrk h LEU 69 CO -0.22 0.63 -0.07 0.45 0.09 0.00 0.00 178.44 179.32 1lrk h HIS 70 N 1.15 -0.18 -0.32 1.13 3.86 -0.69 -1.77 115.15 118.33 1lrk h HIS 70 Ca 0.45 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.72 1lrk h HIS 70 Cb 0.23 0.06 -0.07 0.00 1.06 0.00 0.00 27.41 28.70 1lrk h HIS 70 CO -0.00 0.26 -0.11 -0.44 0.86 0.00 0.00 177.93 178.49 1lrk h ASP 71 N -0.75 -0.39 -0.35 2.45 3.45 0.48 -1.45 116.42 119.87 1lrk h ASP 71 Ca -0.02 0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.55 1lrk h ASP 71 Cb 0.52 0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.53 1lrk h ASP 71 CO 0.03 -0.14 0.00 1.41 -1.57 0.00 0.00 179.24 178.97 1lrk n HIS 72 N -5.29 0.46 -3.96 4.55 8.25 0.04 -4.93 115.22 114.33 1lrk n HIS 72 Ca 0.01 -0.23 -0.28 0.00 -0.26 0.00 0.00 57.72 56.96 1lrk n HIS 72 Cb 0.21 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.31 1lrk n HIS 72 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1lrk n ALA 73 N 0.65 -1.75 -1.72 -1.41 0.00 -0.55 -4.85 120.51 110.89 1lrk n ALA 73 Ca 0.15 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 1lrk n ALA 73 Cb 0.36 -2.41 -0.01 0.00 0.00 0.00 0.00 19.45 17.39 1lrk n ALA 73 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1lrk n ILE 74 N -4.42 1.89 -0.11 0.00 2.08 -0.75 -4.80 119.36 113.24 1lrk n ILE 74 Ca -0.18 -0.47 -0.14 0.00 0.56 0.00 0.00 62.75 62.52 1lrk n ILE 74 Cb 0.62 -1.67 -0.14 0.00 -0.75 0.00 0.00 39.64 37.70 1lrk n ILE 74 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1lrk n ASP 75 N 0.85 1.05 -3.70 4.38 10.43 0.10 -4.86 116.55 124.81 1lrk n ASP 75 Ca 0.05 -0.07 -0.12 0.00 2.57 0.00 0.00 54.79 57.21 1lrk n ASP 75 Cb 0.36 0.27 -0.07 0.00 1.84 0.00 0.00 41.12 43.53 1lrk n ASP 75 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 1lrk s THR 76 N -2.50 0.07 -0.07 -3.53 -1.32 -0.90 -4.11 115.64 103.27 1lrk s THR 76 Ca -0.23 -0.55 0.03 0.00 -1.21 0.00 0.00 61.69 59.73 1lrk s THR 76 Cb 0.07 -0.95 0.01 0.00 -1.51 0.00 0.00 72.50 70.12 1lrk s THR 76 CO 0.71 -0.31 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.97 1lrk s VAL 77 N -2.54 1.37 -0.26 5.08 1.01 -0.63 -1.88 120.40 122.55 1lrk s VAL 77 Ca -0.05 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 1lrk s VAL 77 Cb -0.01 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 1lrk s VAL 77 CO -0.03 0.41 0.09 -0.63 0.00 0.00 0.00 175.10 174.94 1lrk s ILE 78 N 0.52 4.42 -0.47 2.22 1.01 -0.67 -0.87 121.20 127.36 1lrk s ILE 78 Ca -0.14 -0.21 -0.10 0.00 0.00 0.00 0.00 60.65 60.20 1lrk s ILE 78 Cb -0.16 -3.11 0.11 0.00 0.01 0.00 0.00 42.46 39.31 1lrk s ILE 78 CO 0.05 0.27 0.35 -2.28 0.00 0.00 0.00 174.94 173.33 1lrk s HIS 79 N 1.62 3.40 -0.28 3.97 2.46 -0.16 -1.74 115.29 124.57 1lrk s HIS 79 Ca 0.06 -1.78 0.13 0.00 0.47 0.00 0.00 55.06 53.94 1lrk s HIS 79 Cb -0.16 -3.45 -0.18 0.00 -0.13 0.00 0.00 32.58 28.66 1lrk s HIS 79 CO 0.05 -0.98 0.41 1.19 -2.47 0.00 0.00 174.74 172.94 1lrk n PHE 80 N 4.94 0.00 -1.76 3.88 3.72 -0.72 -2.60 117.46 124.92 1lrk n PHE 80 Ca -0.09 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.89 1lrk n PHE 80 Cb 0.41 -0.18 -0.03 0.00 -0.94 0.00 0.00 39.48 38.75 1lrk n PHE 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1lrk s ALA 81 N -2.64 3.89 0.00 4.37 0.00 -1.14 -4.77 121.76 121.48 1lrk s ALA 81 Ca -0.01 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1lrk s ALA 81 Cb 0.09 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1lrk s ALA 81 CO 0.55 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1lrk n GLY 82 N 3.66 -2.68 3.85 0.00 0.00 -1.26 -4.91 105.19 103.84 1lrk n GLY 82 Ca 0.14 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 1lrk n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lrk s LEU 83 N 0.00 4.10 -0.00 0.99 1.43 -1.26 -5.05 118.68 118.89 1lrk s LEU 83 Ca 0.00 0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 1lrk s LEU 83 Cb 0.00 -2.63 0.01 0.00 0.03 0.00 0.00 46.19 43.60 1lrk s LEU 83 CO 0.00 0.20 0.76 2.29 0.23 0.00 0.00 176.35 179.83 1lrk n LYS 84 N 0.61 0.13 -2.88 1.70 2.85 -1.26 -4.96 118.16 114.36 1lrk n LYS 84 Ca -0.09 -0.81 -0.43 0.00 -1.05 0.00 0.00 58.31 55.93 1lrk n LYS 84 Cb 0.52 -0.54 -0.04 0.00 -0.65 0.00 0.00 35.03 34.31 1lrk n LYS 84 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1lrk s ALA 85 N -0.11 3.33 0.11 0.58 0.00 -1.26 -4.94 121.76 119.47 1lrk s ALA 85 Ca 0.01 -0.73 -0.25 0.00 0.00 0.00 0.00 51.96 50.99 1lrk s ALA 85 Cb 0.01 -3.52 -0.08 0.00 0.00 0.00 0.00 23.12 19.53 1lrk s ALA 85 CO 0.00 -1.80 1.66 0.28 0.00 0.00 0.00 175.76 175.89 1lrk h VAL 86 N 5.93 0.53 -0.63 0.00 2.07 -1.99 -0.87 116.25 121.28 1lrk h VAL 86 Ca -0.24 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1lrk h VAL 86 Cb 1.08 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1lrk h VAL 86 CO 0.98 0.00 0.35 1.23 0.02 0.00 0.00 177.57 180.15 1lrk h GLY 87 N -0.36 0.93 1.39 2.17 0.00 -2.01 -2.38 103.07 102.81 1lrk h GLY 87 Ca 0.04 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1lrk h GLY 87 CO -0.15 0.40 0.26 -2.09 0.00 0.00 0.00 176.54 174.97 1lrk h GLU 88 N 0.86 0.79 -0.59 4.80 4.81 -1.93 -2.33 114.58 120.98 1lrk h GLU 88 Ca 0.22 -0.10 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 1lrk h GLU 88 Cb 0.03 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1lrk h GLU 88 CO -0.04 0.62 0.39 0.66 -0.73 0.00 0.00 179.01 179.92 1lrk h SER 89 N 0.79 0.55 0.50 1.04 4.64 -0.63 0.83 113.55 121.26 1lrk h SER 89 Ca 0.20 -0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.42 1lrk h SER 89 Cb 0.09 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1lrk h SER 89 CO -0.03 0.37 -0.47 0.58 -0.87 0.00 0.00 176.83 176.41 1lrk h VAL 90 N 0.63 1.30 0.09 0.95 2.07 -1.23 -2.18 116.25 117.88 1lrk h VAL 90 Ca 0.25 -1.62 -0.31 0.00 0.82 0.00 0.00 66.70 65.85 1lrk h VAL 90 Cb 0.19 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1lrk h VAL 90 CO -0.07 0.46 -1.59 1.56 0.02 0.00 0.00 177.57 177.95 1lrk h GLN 91 N 0.00 0.20 -2.14 1.57 1.08 -0.58 -3.40 115.11 111.83 1lrk h GLN 91 Ca -0.00 -0.33 -0.56 0.00 -1.45 0.00 0.00 58.65 56.31 1lrk h GLN 91 Cb 0.84 0.12 -0.41 0.00 -0.05 0.00 0.00 27.48 27.99 1lrk h GLN 91 CO 0.06 1.02 -0.87 1.63 -0.95 0.00 0.00 178.83 179.72 1lrk n LYS 92 N -3.38 2.06 -0.26 1.46 5.02 0.27 -4.98 118.16 118.34 1lrk n LYS 92 Ca -0.17 -4.15 0.03 0.00 -2.02 0.00 0.00 58.31 52.00 1lrk n LYS 92 Cb 1.04 -1.93 0.16 0.00 -0.02 0.00 0.00 35.03 34.27 1lrk n LYS 92 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1lrk h PRO 93 N 3.37 0.62 -0.71 1.97 0.13 -1.62 -2.94 132.00 132.82 1lrk h PRO 93 Ca 0.13 -0.04 0.07 0.00 -0.87 0.00 0.00 66.00 65.29 1lrk h PRO 93 Cb 0.73 -0.14 -0.06 0.00 0.13 0.00 0.00 31.00 31.65 1lrk h PRO 93 CO 0.68 0.41 0.39 -0.07 -0.23 0.00 0.00 178.00 179.18 1lrk h LEU 94 N 0.64 0.57 -1.26 1.56 3.38 -1.94 -0.16 115.31 118.10 1lrk h LEU 94 Ca 0.38 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.38 1lrk h LEU 94 Cb 0.41 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1lrk h LEU 94 CO -0.28 0.35 0.43 -0.33 0.09 0.00 0.00 178.44 178.70 1lrk h GLU 95 N 0.70 0.93 -0.18 1.13 5.08 -1.92 0.18 114.58 120.50 1lrk h GLU 95 Ca 0.33 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.53 1lrk h GLU 95 Cb 0.25 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1lrk h GLU 95 CO -0.21 0.64 -0.22 1.88 -1.00 0.00 0.00 179.01 180.10 1lrk h TYR 96 N 0.95 0.56 -0.17 4.33 -1.99 -1.25 0.25 116.97 119.66 1lrk h TYR 96 Ca 0.25 -0.18 -0.09 0.00 2.00 0.00 0.00 58.73 60.71 1lrk h TYR 96 Cb -0.06 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 38.55 1lrk h TYR 96 CO 0.00 0.86 -0.29 1.88 -0.00 0.00 0.00 178.16 180.61 1lrk h TYR 97 N 0.11 0.36 -0.01 4.88 -1.99 -0.62 -0.62 116.97 119.08 1lrk h TYR 97 Ca 0.02 -0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.67 1lrk h TYR 97 Cb 0.78 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.42 1lrk h TYR 97 CO 0.09 0.58 -0.02 0.22 -0.00 0.00 0.00 178.16 179.02 1lrk h ASP 98 N 0.28 0.03 -0.65 3.88 -0.00 -0.65 -1.39 116.42 117.93 1lrk h ASP 98 Ca 0.04 -0.62 -0.09 0.00 -0.00 0.00 0.00 57.03 56.36 1lrk h ASP 98 Cb 0.66 -0.01 -0.02 0.00 -0.00 0.00 0.00 39.33 39.95 1lrk h ASP 98 CO 0.05 0.65 0.06 0.78 -0.00 0.00 0.00 179.24 180.78 1lrk h ASN 99 N -0.58 1.08 0.00 2.28 2.35 -0.91 0.20 115.58 119.99 1lrk h ASN 99 Ca -0.00 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.45 1lrk h ASN 99 Cb 0.65 -0.29 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 1lrk h ASN 99 CO 0.01 1.09 -0.28 0.78 -1.65 0.00 0.00 177.43 177.37 1lrk h ASN 100 N 1.03 0.00 0.22 5.81 2.35 -1.20 -3.02 115.58 120.76 1lrk h ASN 100 Ca 0.19 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1lrk h ASN 100 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1lrk h ASN 100 CO 0.02 0.70 -0.10 0.58 -1.65 0.00 0.00 177.43 176.98 1lrk h VAL 101 N -1.00 0.21 -0.68 2.81 2.07 -1.41 -1.81 116.25 116.44 1lrk h VAL 101 Ca -0.02 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.54 1lrk h VAL 101 Cb 0.36 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1lrk h VAL 101 CO -0.01 0.06 0.13 -1.13 0.02 0.00 0.00 177.57 176.64 1lrk h ASN 102 N -1.05 1.05 -0.47 0.57 -1.24 -1.18 -2.05 115.58 111.22 1lrk h ASN 102 Ca -0.03 -0.24 0.05 0.00 0.71 0.00 0.00 56.30 56.79 1lrk h ASN 102 Cb 0.32 -0.28 -0.05 0.00 0.73 0.00 0.00 38.32 39.05 1lrk h ASN 102 CO 0.05 1.02 0.20 1.23 -1.29 0.00 0.00 177.43 178.65 1lrk h GLY 103 N 1.06 0.63 1.43 1.57 0.00 -0.46 0.93 103.07 108.24 1lrk h GLY 103 Ca 0.21 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 1lrk h GLY 103 CO 0.01 0.07 0.03 -0.84 0.00 0.00 0.00 176.54 175.81 1lrk h THR 104 N 0.41 1.22 -0.50 4.70 2.02 -1.10 -2.43 112.91 117.23 1lrk h THR 104 Ca 0.21 -0.88 -0.05 0.00 0.77 0.00 0.00 66.41 66.46 1lrk h THR 104 Cb 0.16 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1lrk h THR 104 CO -0.18 0.31 0.11 0.25 0.37 0.00 0.00 175.52 176.38 1lrk h LEU 105 N 0.67 0.77 -0.45 2.58 5.85 -0.63 0.11 115.31 124.22 1lrk h LEU 105 Ca 0.14 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 1lrk h LEU 105 Cb 0.37 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1lrk h LEU 105 CO 0.01 0.82 0.06 0.03 -0.34 0.00 0.00 178.44 179.01 1lrk h ARG 106 N 0.69 0.75 -0.26 1.25 2.47 -0.75 -0.61 114.38 117.93 1lrk h ARG 106 Ca 0.16 -0.21 0.02 0.00 -1.26 0.00 0.00 59.98 58.68 1lrk h ARG 106 Cb 0.36 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 1lrk h ARG 106 CO 0.00 0.79 0.11 1.25 0.56 0.00 0.00 179.97 182.68 1lrk h LEU 107 N 0.61 0.16 -0.50 3.04 5.85 -1.18 -1.21 115.31 122.07 1lrk h LEU 107 Ca 0.13 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1lrk h LEU 107 Cb 0.41 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1lrk h LEU 107 CO 0.01 0.12 -0.15 0.16 -0.34 0.00 0.00 178.44 178.25 1lrk h ILE 108 N 0.25 0.28 -0.34 4.05 3.07 -0.67 -2.41 117.51 121.73 1lrk h ILE 108 Ca 0.11 -1.17 -0.15 0.00 1.55 0.00 0.00 64.86 65.19 1lrk h ILE 108 Cb 0.05 1.94 -0.01 0.00 -0.27 0.00 0.00 36.82 38.54 1lrk h ILE 108 CO -0.09 0.14 -0.40 0.28 -1.05 0.00 0.00 178.15 177.03 1lrk h SER 109 N 0.00 0.89 -0.63 2.16 0.02 -0.73 -1.99 113.55 113.27 1lrk h SER 109 Ca -0.00 -0.41 -0.09 0.00 -0.84 0.00 0.00 61.79 60.45 1lrk h SER 109 Cb 0.93 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 1lrk h SER 109 CO 0.02 1.18 0.06 0.00 -1.14 0.00 0.00 176.83 176.94 1lrk h ALA 110 N 0.86 0.89 -0.45 3.77 0.00 -1.06 -2.00 119.26 121.27 1lrk h ALA 110 Ca 0.05 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1lrk h ALA 110 Cb 0.97 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1lrk h ALA 110 CO 0.09 0.67 0.25 0.52 0.00 0.00 0.00 179.25 180.78 1lrk h MET 111 N 1.00 0.49 -0.49 0.00 2.07 -1.25 0.25 114.93 117.01 1lrk h MET 111 Ca 0.19 -0.03 0.04 0.00 -2.07 0.00 0.00 59.70 57.83 1lrk h MET 111 Cb 0.50 -0.11 -0.04 0.00 -1.87 0.00 0.00 31.60 30.07 1lrk h MET 111 CO 0.02 0.33 0.24 0.00 1.07 0.00 0.00 176.91 178.57 1lrk h ARG 112 N 0.51 0.46 -0.41 1.72 2.47 -1.18 0.24 114.38 118.19 1lrk h ARG 112 Ca 0.19 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.84 1lrk h ARG 112 Cb 0.05 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.24 1lrk h ARG 112 CO -0.10 0.30 0.10 0.00 0.56 0.00 0.00 179.97 180.83 1lrk h ALA 113 N 1.27 1.41 -0.25 0.04 0.00 -0.76 -2.42 119.26 118.55 1lrk h ALA 113 Ca 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1lrk h ALA 113 Cb 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1lrk h ALA 113 CO -0.16 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1lrk n ALA 114 N -2.47 2.48 -2.14 0.00 0.00 0.02 -4.94 120.51 113.46 1lrk n ALA 114 Ca 0.03 -0.69 -0.12 0.00 0.00 0.00 0.00 53.44 52.65 1lrk n ALA 114 Cb 0.20 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.63 1lrk n ALA 114 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1lrk n ASN 115 N 0.76 -3.94 -4.78 0.00 3.02 0.56 -4.92 115.26 105.96 1lrk n ASN 115 Ca 0.17 0.02 -0.36 0.00 -0.03 0.00 0.00 54.58 54.38 1lrk n ASN 115 Cb 0.43 -3.09 -0.07 0.00 -0.61 0.00 0.00 39.78 36.45 1lrk n ASN 115 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1lrk s VAL 116 N -2.59 5.34 -0.05 2.41 1.01 0.39 -5.00 120.40 121.91 1lrk s VAL 116 Ca 0.00 0.43 0.10 0.00 0.00 0.00 0.00 61.98 62.51 1lrk s VAL 116 Cb 0.00 -3.55 0.18 0.00 0.00 0.00 0.00 36.38 33.01 1lrk s VAL 116 CO 0.00 0.48 1.08 2.29 0.00 0.00 0.00 175.10 178.95 1lrk n LYS 117 N 2.95 0.44 -4.23 2.72 2.85 -1.26 -4.32 118.16 117.31 1lrk n LYS 117 Ca -0.15 -1.75 -0.33 0.00 -1.05 0.00 0.00 58.31 55.03 1lrk n LYS 117 Cb 0.53 -0.75 -0.16 0.00 -0.65 0.00 0.00 35.03 34.00 1lrk n LYS 117 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1lrk s ASN 118 N -1.82 3.28 -0.00 -5.58 0.01 -1.26 -1.28 114.94 108.29 1lrk s ASN 118 Ca 0.17 -0.60 0.01 0.00 -0.71 0.00 0.00 52.86 51.72 1lrk s ASN 118 Cb 0.17 -1.50 0.00 0.00 0.41 0.00 0.00 41.25 40.32 1lrk s ASN 118 CO -0.03 0.02 -0.02 0.12 -1.51 0.00 0.00 177.10 175.68 1lrk s PHE 119 N 1.18 0.18 -0.27 2.20 2.19 -0.02 -1.60 117.98 121.84 1lrk s PHE 119 Ca 0.02 -0.03 0.03 0.00 0.33 0.00 0.00 56.93 57.28 1lrk s PHE 119 Cb -0.14 -0.13 0.07 0.00 -1.31 0.00 0.00 43.02 41.51 1lrk s PHE 119 CO -0.09 -0.01 -0.05 0.42 1.83 0.00 0.00 175.22 177.32 1lrk s ILE 120 N 0.01 1.99 -0.24 3.12 -1.09 -0.05 -0.72 121.20 124.23 1lrk s ILE 120 Ca 0.00 -1.69 -0.14 0.00 -2.23 0.00 0.00 60.65 56.59 1lrk s ILE 120 Cb -0.01 -2.23 -0.04 0.00 -1.58 0.00 0.00 42.46 38.59 1lrk s ILE 120 CO -0.00 -0.20 0.34 0.12 -1.23 0.00 0.00 174.94 173.97 1lrk s PHE 121 N 1.15 3.31 -0.83 3.97 5.99 0.30 -0.99 117.98 130.88 1lrk s PHE 121 Ca -0.03 0.45 -0.25 0.00 0.00 0.00 0.00 56.93 57.10 1lrk s PHE 121 Cb -0.19 -2.49 0.02 0.00 0.00 0.00 0.00 43.02 40.36 1lrk s PHE 121 CO -0.07 -0.08 1.46 0.45 -0.00 0.00 0.00 175.22 176.98 1lrk s SER 122 N 1.28 6.09 0.00 6.13 0.15 -1.07 -1.61 113.70 124.68 1lrk s SER 122 Ca 0.15 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 56.09 1lrk s SER 122 Cb -0.15 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1lrk s SER 122 CO 0.08 -1.86 0.00 -0.24 1.20 0.00 0.00 173.24 172.42 1lrk n SER 123 N 9.97 0.00 -3.62 5.45 2.88 0.33 -4.92 113.62 123.70 1lrk n SER 123 Ca 0.18 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.59 1lrk n SER 123 Cb 0.50 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.89 1lrk n SER 123 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1lrk s SER 124 N -1.00 -0.68 0.00 -3.46 0.15 -1.25 -4.56 113.70 102.89 1lrk s SER 124 Ca 0.00 1.27 0.18 0.00 0.70 0.00 0.00 55.95 58.09 1lrk s SER 124 Cb 0.00 1.27 0.98 0.00 -1.71 0.00 0.00 66.02 66.56 1lrk s SER 124 CO 0.00 -0.26 1.49 0.00 1.20 0.00 0.00 173.24 175.67 1lrk n ALA 125 N 2.43 2.06 0.28 5.45 0.00 0.15 -2.56 120.51 128.34 1lrk n ALA 125 Ca -0.14 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.34 1lrk n ALA 125 Cb 0.55 -1.29 0.83 0.00 0.00 0.00 0.00 19.45 19.55 1lrk n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lrk h THR 126 N 0.00 0.62 -0.16 0.00 1.03 -1.95 -2.38 112.91 110.07 1lrk h THR 126 Ca 0.00 -0.12 0.05 0.00 -0.01 0.00 0.00 66.41 66.32 1lrk h THR 126 Cb 0.07 1.08 -0.01 0.00 -1.07 0.00 0.00 68.15 68.22 1lrk h THR 126 CO 0.00 0.03 0.23 -0.37 -0.01 0.00 0.00 175.52 175.40 1lrk h VAL 127 N 0.00 0.32 0.00 0.00 -1.51 -1.79 0.13 116.25 113.40 1lrk h VAL 127 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1lrk h VAL 127 Cb 0.07 0.80 0.00 0.00 -2.13 0.00 0.00 31.29 30.04 1lrk h VAL 127 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.12 1lrk n TYR 128 N -3.55 0.25 -4.34 5.19 4.02 -0.89 -1.58 117.16 116.26 1lrk n TYR 128 Ca 0.01 0.09 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 1lrk n TYR 128 Cb 0.34 -0.64 0.00 0.00 -0.02 0.00 0.00 39.34 39.02 1lrk n TYR 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1lrk n GLY 129 N 0.55 1.63 2.69 2.72 0.00 0.44 -3.20 105.19 110.01 1lrk n GLY 129 Ca 0.04 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 1lrk n GLY 129 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lrk n ASP 130 N -1.84 5.63 -4.66 1.61 9.92 -1.26 -4.92 116.55 121.02 1lrk n ASP 130 Ca 0.00 -2.95 -0.41 0.00 -0.53 0.00 0.00 54.79 50.89 1lrk n ASP 130 Cb 0.00 -1.53 -0.04 0.00 -0.64 0.00 0.00 41.12 38.91 1lrk n ASP 130 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1lrk s ASN 131 N 1.72 6.90 0.35 -2.24 3.84 -1.22 -4.93 114.94 119.36 1lrk s ASN 131 Ca 0.48 1.11 0.19 0.00 0.21 0.00 0.00 52.86 54.85 1lrk s ASN 131 Cb 0.14 -2.44 0.19 0.00 -0.55 0.00 0.00 41.25 38.58 1lrk s ASN 131 CO -0.05 -0.41 1.52 1.55 -2.79 0.00 0.00 177.10 176.92 1lrk h PRO 132 N 7.43 0.00 -6.34 0.43 0.13 -1.94 -3.43 132.00 128.27 1lrk h PRO 132 Ca -0.28 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.28 1lrk h PRO 132 Cb 1.12 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 1lrk h PRO 132 CO 0.84 0.28 1.03 0.15 -0.23 0.00 0.00 178.00 180.06 1lrk s LYS 133 N -3.07 3.86 0.09 0.86 1.02 -1.26 -5.03 119.74 116.20 1lrk s LYS 133 Ca 0.05 1.37 0.08 0.00 0.02 0.00 0.00 55.97 57.49 1lrk s LYS 133 Cb 0.06 -3.94 -0.03 0.00 -0.52 0.00 0.00 37.83 33.40 1lrk s LYS 133 CO 0.71 -1.20 -0.20 0.96 -0.92 0.00 0.00 175.35 174.70 1lrk s ILE 134 N 4.70 1.61 0.74 2.17 -4.36 -1.26 -4.22 121.20 120.58 1lrk s ILE 134 Ca 0.62 -1.44 -0.11 0.00 -0.26 0.00 0.00 60.65 59.46 1lrk s ILE 134 Cb -0.19 -1.46 0.03 0.00 1.25 0.00 0.00 42.46 42.09 1lrk s ILE 134 CO 0.26 -0.03 1.08 -2.16 0.24 0.00 0.00 174.94 174.32 1lrk s PRO 135 N -1.73 2.57 0.05 0.37 0.04 -1.26 -5.08 135.00 129.96 1lrk s PRO 135 Ca 0.05 0.83 -0.29 0.00 0.04 0.00 0.00 61.00 61.63 1lrk s PRO 135 Cb -0.10 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 1lrk s PRO 135 CO 0.03 -1.32 0.94 0.71 0.04 0.00 0.00 177.00 177.40 1lrk s TYR 136 N -3.09 3.74 0.12 0.56 2.02 -0.24 -4.70 117.35 115.76 1lrk s TYR 136 Ca 0.59 1.71 0.09 0.00 -0.37 0.00 0.00 57.07 59.10 1lrk s TYR 136 Cb -0.14 -3.05 -0.04 0.00 -0.40 0.00 0.00 41.96 38.33 1lrk s TYR 136 CO 0.55 0.12 -0.20 0.14 -1.57 0.00 0.00 175.55 174.58 1lrk s VAL 137 N 0.43 2.69 0.64 0.71 -7.23 -1.26 -0.98 120.40 115.40 1lrk s VAL 137 Ca 0.48 -1.56 0.37 0.00 -1.81 0.00 0.00 61.98 59.45 1lrk s VAL 137 Cb -0.22 -2.22 0.39 0.00 0.56 0.00 0.00 36.38 34.89 1lrk s VAL 137 CO 0.28 0.10 2.24 -0.33 -0.31 0.00 0.00 175.10 177.09 1lrk h GLU 138 N 3.78 0.00 0.00 4.82 3.07 -1.93 0.11 114.58 124.43 1lrk h GLU 138 Ca -0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 1lrk h GLU 138 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 1lrk h GLU 138 CO 0.44 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.92 1lrk n SER 139 N -3.37 0.42 -4.76 1.42 3.41 -1.26 -4.82 113.62 104.66 1lrk n SER 139 Ca -0.02 0.54 -0.40 0.00 -0.26 0.00 0.00 58.87 58.73 1lrk n SER 139 Cb 0.16 -0.66 -0.04 0.00 -0.26 0.00 0.00 64.21 63.41 1lrk n SER 139 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1lrk s PHE 140 N -3.06 3.59 0.70 7.33 0.40 0.02 -5.01 117.98 121.94 1lrk s PHE 140 Ca 0.12 1.71 -0.15 0.00 -0.60 0.00 0.00 56.93 58.01 1lrk s PHE 140 Cb 0.15 -3.27 0.02 0.00 0.51 0.00 0.00 43.02 40.43 1lrk s PHE 140 CO 0.55 -0.51 1.15 -1.25 0.70 0.00 0.00 175.22 175.87 1lrk s PRO 141 N -1.46 2.46 0.82 0.24 0.04 -1.26 -4.97 135.00 130.87 1lrk s PRO 141 Ca 0.45 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 62.93 1lrk s PRO 141 Cb -0.31 -1.89 0.08 0.00 0.04 0.00 0.00 34.50 32.41 1lrk s PRO 141 CO 0.40 -1.54 1.09 0.95 0.04 0.00 0.00 177.00 177.95 1lrk s THR 142 N -2.19 3.01 0.00 1.26 -4.23 -1.26 -4.89 115.64 107.33 1lrk s THR 142 Ca 0.70 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 61.54 1lrk s THR 142 Cb -0.24 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.61 1lrk s THR 142 CO 0.43 -0.43 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1lrk n GLY 143 N -1.78 5.83 3.22 3.99 0.00 -0.61 -4.94 105.19 110.89 1lrk n GLY 143 Ca 0.07 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 1lrk n GLY 143 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lrk s THR 144 N 1.60 3.35 0.71 2.61 -4.23 -1.26 -4.64 115.64 113.77 1lrk s THR 144 Ca 0.00 -1.30 -0.16 0.00 -1.18 0.00 0.00 61.69 59.05 1lrk s THR 144 Cb 0.00 -2.93 0.02 0.00 1.34 0.00 0.00 72.50 70.93 1lrk s THR 144 CO 0.00 -0.16 1.24 -2.65 -0.54 0.00 0.00 174.62 172.51 1lrk n PRO 145 N 4.71 0.77 0.08 3.99 -0.02 -1.26 -4.36 135.00 138.91 1lrk n PRO 145 Ca -0.12 0.33 0.12 0.00 -2.02 0.00 0.00 63.50 61.80 1lrk n PRO 145 Cb 0.44 -2.48 0.09 0.00 -0.02 0.00 0.00 33.50 31.53 1lrk n PRO 145 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1lrk h GLN 146 N 0.01 0.00 -5.83 -0.52 1.08 -1.94 -3.42 115.11 104.49 1lrk h GLN 146 Ca -0.49 0.00 -0.60 0.00 -1.45 0.00 0.00 58.65 56.10 1lrk h GLN 146 Cb 1.33 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 28.64 1lrk h GLN 146 CO 0.50 0.00 -0.59 -1.54 -0.95 0.00 0.00 178.83 176.25 1lrk s SER 147 N -4.71 4.05 0.33 1.46 1.04 -1.26 -4.97 113.70 109.64 1lrk s SER 147 Ca 0.03 -1.20 0.03 0.00 0.48 0.00 0.00 55.95 55.30 1lrk s SER 147 Cb 0.12 -0.44 0.62 0.00 0.10 0.00 0.00 66.02 66.42 1lrk s SER 147 CO 0.75 -0.40 1.93 -0.65 0.98 0.00 0.00 173.24 175.86 1lrk h PRO 148 N 1.73 0.88 0.17 4.02 0.11 -1.89 -0.76 132.00 136.26 1lrk h PRO 148 Ca -0.43 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1lrk h PRO 148 Cb 1.25 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1lrk h PRO 148 CO 0.74 0.58 -0.17 -0.92 -0.21 0.00 0.00 178.00 178.03 1lrk h TYR 149 N 0.91 -0.44 -0.58 0.65 5.03 -1.86 0.94 116.97 121.63 1lrk h TYR 149 Ca 0.36 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.67 1lrk h TYR 149 Cb 0.23 0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.65 1lrk h TYR 149 CO -0.00 -0.25 0.36 0.78 -1.32 0.00 0.00 178.16 177.73 1lrk h GLY 150 N -0.36 0.83 1.03 1.82 0.00 -1.72 -2.12 103.07 102.54 1lrk h GLY 150 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1lrk h GLY 150 CO -0.04 0.33 0.50 0.50 0.00 0.00 0.00 176.54 177.83 1lrk h LYS 151 N 0.78 1.27 -0.48 4.80 1.57 -0.96 -2.07 116.57 121.48 1lrk h LYS 151 Ca 0.21 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1lrk h LYS 151 Cb -0.04 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 31.99 1lrk h LYS 151 CO -0.04 0.92 0.20 0.66 -0.57 0.00 0.00 179.45 180.62 1lrk h SER 152 N 1.28 0.62 -0.45 0.86 4.64 -0.16 0.32 113.55 120.65 1lrk h SER 152 Ca 0.32 -0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 61.49 1lrk h SER 152 Cb 0.02 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 1lrk h SER 152 CO -0.05 0.55 -0.06 0.11 -0.87 0.00 0.00 176.83 176.50 1lrk h LYS 153 N 0.68 0.84 -0.41 4.77 1.79 -0.97 -1.53 116.57 121.73 1lrk h LYS 153 Ca 0.17 -0.30 -0.12 0.00 -2.18 0.00 0.00 60.65 58.22 1lrk h LYS 153 Cb 0.12 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 1lrk h LYS 153 CO -0.02 0.93 -0.21 1.25 -1.08 0.00 0.00 179.45 180.32 1lrk h LEU 154 N 0.67 0.90 -0.39 2.94 5.85 -0.90 -2.00 115.31 122.38 1lrk h LEU 154 Ca 0.12 -0.41 0.06 0.00 0.84 0.00 0.00 57.88 58.49 1lrk h LEU 154 Cb 0.59 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1lrk h LEU 154 CO 0.04 1.11 0.10 0.24 -0.34 0.00 0.00 178.44 179.58 1lrk h MET 155 N 0.69 0.23 -0.58 1.25 2.86 -0.79 -0.54 114.93 118.05 1lrk h MET 155 Ca 0.09 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1lrk h MET 155 Cb 0.77 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 1lrk h MET 155 CO 0.06 0.15 0.35 0.28 1.06 0.00 0.00 176.91 178.81 1lrk h VAL 156 N 0.23 1.17 -0.42 -2.22 2.07 -1.16 0.10 116.25 116.03 1lrk h VAL 156 Ca 0.19 -0.39 0.06 0.00 0.82 0.00 0.00 66.70 67.38 1lrk h VAL 156 Cb 0.21 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 1lrk h VAL 156 CO -0.23 0.18 0.10 -0.33 0.02 0.00 0.00 177.57 177.31 1lrk h GLU 157 N 0.78 0.23 -0.49 1.57 5.08 -0.55 -0.16 114.58 121.05 1lrk h GLU 157 Ca 0.21 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1lrk h GLU 157 Cb -0.02 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1lrk h GLU 157 CO -0.04 0.15 0.27 1.96 -1.00 0.00 0.00 179.01 180.35 1lrk h GLN 158 N 0.23 0.68 -0.38 2.33 4.20 -0.79 -0.90 115.11 120.48 1lrk h GLN 158 Ca 0.20 -0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.87 1lrk h GLN 158 Cb 0.24 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1lrk h GLN 158 CO -0.26 0.52 0.19 0.82 -0.67 0.00 0.00 178.83 179.43 1lrk h ILE 159 N 0.65 0.98 -0.80 2.54 2.04 -0.05 -1.73 117.51 121.12 1lrk h ILE 159 Ca 0.17 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.91 1lrk h ILE 159 Cb 0.04 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 1lrk h ILE 159 CO -0.03 0.07 0.53 -0.07 0.00 0.00 0.00 178.15 178.65 1lrk h LEU 160 N 0.38 0.91 -0.30 1.44 3.38 -0.92 -0.32 115.31 119.88 1lrk h LEU 160 Ca 0.16 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1lrk h LEU 160 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1lrk h LEU 160 CO -0.11 0.65 0.18 0.74 0.09 0.00 0.00 178.44 179.98 1lrk h THR 161 N 1.07 1.11 -0.44 0.22 2.02 -0.84 -0.38 112.91 115.68 1lrk h THR 161 Ca 0.30 -0.27 -0.08 0.00 0.77 0.00 0.00 66.41 67.14 1lrk h THR 161 Cb -0.09 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1lrk h THR 161 CO -0.08 0.11 -0.04 0.44 0.37 0.00 0.00 175.52 176.33 1lrk h ASP 162 N 0.38 0.71 -0.50 4.18 3.45 -1.05 -2.36 116.42 121.24 1lrk h ASP 162 Ca 0.11 -0.18 -0.01 0.00 0.43 0.00 0.00 57.03 57.38 1lrk h ASP 162 Cb 0.02 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.58 1lrk h ASP 162 CO -0.02 0.80 0.26 0.25 -1.57 0.00 0.00 179.24 178.97 1lrk h LEU 163 N 0.69 0.63 -1.11 1.55 5.85 -0.57 -2.26 115.31 120.09 1lrk h LEU 163 Ca 0.13 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1lrk h LEU 163 Cb 0.47 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1lrk h LEU 163 CO 0.02 0.55 0.30 -0.61 -0.34 0.00 0.00 178.44 178.36 1lrk h GLN 164 N 0.66 0.92 -0.57 1.25 -0.00 -0.78 0.48 115.11 117.07 1lrk h GLN 164 Ca 0.17 -0.13 -0.05 0.00 -0.00 0.00 0.00 58.65 58.65 1lrk h GLN 164 Cb 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 27.48 27.35 1lrk h GLN 164 CO -0.03 0.72 0.15 -0.22 0.00 0.00 0.00 178.83 179.46 1lrk h LYS 165 N 0.92 0.87 0.00 1.69 3.64 -1.16 -1.86 116.57 120.67 1lrk h LYS 165 Ca 0.22 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1lrk h LYS 165 Cb 0.11 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1lrk h LYS 165 CO -0.03 0.77 -0.22 0.00 -2.27 0.00 0.00 179.45 177.71 1lrk h ALA 166 N 1.33 0.88 -2.12 5.00 0.00 -0.78 -3.36 119.26 120.21 1lrk h ALA 166 Ca 0.19 -0.13 -0.57 0.00 0.00 0.00 0.00 54.91 54.39 1lrk h ALA 166 Cb 0.28 -0.02 -0.39 0.00 0.00 0.00 0.00 17.79 17.67 1lrk h ALA 166 CO -0.00 0.18 -0.99 1.04 0.00 0.00 0.00 179.25 179.47 1lrk n GLN 167 N -3.10 0.94 0.02 0.00 1.13 0.09 -5.00 117.38 111.46 1lrk n GLN 167 Ca 0.03 -3.47 0.01 0.00 -1.94 0.00 0.00 57.00 51.63 1lrk n GLN 167 Cb 0.59 -1.47 0.05 0.00 0.11 0.00 0.00 30.24 29.52 1lrk n GLN 167 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1lrk n PRO 168 N 1.57 0.01 0.00 -1.09 -0.04 -0.74 -1.11 135.00 133.60 1lrk n PRO 168 Ca 0.24 0.38 0.13 0.00 -0.04 0.00 0.00 63.50 64.21 1lrk n PRO 168 Cb 0.50 -1.70 0.43 0.00 -0.04 0.00 0.00 33.50 32.68 1lrk n PRO 168 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1lrk n ASP 169 N -1.45 0.42 -4.78 3.54 3.85 -1.26 -4.52 116.55 112.34 1lrk n ASP 169 Ca -0.00 -0.19 -0.35 0.00 -0.71 0.00 0.00 54.79 53.55 1lrk n ASP 169 Cb 0.16 -0.01 -0.01 0.00 -1.35 0.00 0.00 41.12 39.91 1lrk n ASP 169 CO 0.00 0.00 0.00 0.26 -1.01 0.00 0.00 177.20 176.45 1lrk s TRP 170 N -2.85 2.80 -0.20 2.11 0.52 -0.27 -4.57 118.94 116.49 1lrk s TRP 170 Ca 0.17 1.56 -0.02 0.00 0.02 0.00 0.00 56.10 57.82 1lrk s TRP 170 Cb 0.19 -3.20 0.00 0.00 -1.15 0.00 0.00 33.47 29.31 1lrk s TRP 170 CO 0.60 -1.27 -0.10 0.45 0.02 0.00 0.00 176.95 176.65 1lrk s SER 171 N -1.86 3.90 -0.10 2.95 0.15 -0.41 -1.31 113.70 117.03 1lrk s SER 171 Ca 0.70 -0.47 -0.01 0.00 0.70 0.00 0.00 55.95 56.88 1lrk s SER 171 Cb -0.21 -1.65 0.03 0.00 -1.71 0.00 0.00 66.02 62.48 1lrk s SER 171 CO 0.24 -0.00 -0.05 -0.63 1.20 0.00 0.00 173.24 174.00 1lrk s ILE 172 N 1.35 0.77 -0.04 6.45 1.01 0.77 -0.84 121.20 130.67 1lrk s ILE 172 Ca 0.04 -0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.45 1lrk s ILE 172 Cb -0.14 -0.85 -0.05 0.00 0.01 0.00 0.00 42.46 41.43 1lrk s ILE 172 CO -0.06 0.33 0.30 0.00 0.00 0.00 0.00 174.94 175.51 1lrk s ALA 173 N 1.80 3.78 -0.34 9.38 0.00 0.10 -0.23 121.76 136.25 1lrk s ALA 173 Ca 0.05 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.62 1lrk s ALA 173 Cb -0.12 -2.21 0.09 0.00 0.00 0.00 0.00 23.12 20.88 1lrk s ALA 173 CO -0.07 0.55 0.06 -0.51 0.00 0.00 0.00 175.76 175.79 1lrk s LEU 174 N -1.16 4.56 -0.42 0.00 1.43 0.58 -0.54 118.68 123.15 1lrk s LEU 174 Ca 0.21 -1.87 -0.18 0.00 -1.03 0.00 0.00 54.13 51.26 1lrk s LEU 174 Cb -0.15 -1.68 0.02 0.00 0.03 0.00 0.00 46.19 44.41 1lrk s LEU 174 CO 0.10 -0.38 0.50 -0.76 0.23 0.00 0.00 176.35 176.05 1lrk s LEU 175 N 1.05 4.69 -0.15 1.79 1.43 -0.63 -1.53 118.68 125.33 1lrk s LEU 175 Ca 0.05 -0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 52.59 1lrk s LEU 175 Cb -0.20 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 1lrk s LEU 175 CO -0.05 -0.62 0.06 -0.13 0.23 0.00 0.00 176.35 175.84 1lrk s ARG 176 N 2.35 3.71 0.26 1.70 0.52 0.15 -0.51 118.95 127.13 1lrk s ARG 176 Ca 0.16 -0.32 -0.17 0.00 -0.52 0.00 0.00 55.73 54.88 1lrk s ARG 176 Cb -0.16 -3.13 0.01 0.00 0.52 0.00 0.00 34.95 32.18 1lrk s ARG 176 CO 0.15 0.43 0.59 1.52 0.02 0.00 0.00 175.30 178.02 1lrk s TYR 177 N -0.09 0.09 0.00 -0.53 1.13 -1.26 -0.49 117.35 116.19 1lrk s TYR 177 Ca 0.07 -0.49 0.00 0.00 -1.41 0.00 0.00 57.07 55.23 1lrk s TYR 177 Cb -0.12 0.44 0.00 0.00 -1.10 0.00 0.00 41.96 41.18 1lrk s TYR 177 CO 0.01 -1.11 0.00 1.19 -2.51 0.00 0.00 175.55 173.13 1lrk n PHE 178 N -0.42 0.00 -3.41 -3.49 3.01 -1.26 -0.67 117.46 111.22 1lrk n PHE 178 Ca -0.03 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 57.99 1lrk n PHE 178 Cb 0.61 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 40.01 1lrk n PHE 178 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1lrk s ASN 179 N -0.76 6.03 0.05 4.37 0.01 -0.28 -4.93 114.94 119.42 1lrk s ASN 179 Ca 0.00 -1.63 -0.31 0.00 -0.71 0.00 0.00 52.86 50.22 1lrk s ASN 179 Cb 0.00 -2.14 -0.05 0.00 0.41 0.00 0.00 41.25 39.46 1lrk s ASN 179 CO 0.00 -0.73 1.22 -2.16 -1.51 0.00 0.00 177.10 173.93 1lrk s PRO 180 N 1.55 4.41 0.19 -0.60 0.04 -1.26 -0.69 135.00 138.64 1lrk s PRO 180 Ca 0.04 1.79 -0.05 0.00 0.04 0.00 0.00 61.00 62.82 1lrk s PRO 180 Cb -0.27 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 30.87 1lrk s PRO 180 CO 0.03 -0.31 0.22 0.14 0.04 0.00 0.00 177.00 177.12 1lrk s VAL 181 N 1.28 0.04 0.00 -0.36 -7.23 -0.27 -4.89 120.40 108.97 1lrk s VAL 181 Ca 0.59 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.04 1lrk s VAL 181 Cb -0.30 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.45 1lrk s VAL 181 CO 0.28 -0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.51 1lrk n GLY 182 N -0.24 -2.78 3.46 2.32 0.00 -1.26 -0.16 105.19 106.54 1lrk n GLY 182 Ca -0.02 -2.04 -0.11 0.00 0.00 0.00 0.00 46.02 43.84 1lrk n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lrk s ALA 183 N -1.54 -1.55 0.30 4.61 0.00 -1.26 -4.42 121.76 117.89 1lrk s ALA 183 Ca 0.00 0.40 -0.29 0.00 0.00 0.00 0.00 51.96 52.08 1lrk s ALA 183 Cb 0.00 0.88 -0.13 0.00 0.00 0.00 0.00 23.12 23.87 1lrk s ALA 183 CO 0.00 -0.80 1.16 1.58 0.00 0.00 0.00 175.76 177.71 1lrk n HIS 184 N -0.39 1.74 0.27 0.00 -0.00 -1.19 -4.82 115.22 110.83 1lrk n HIS 184 Ca -0.16 0.62 0.18 0.00 0.46 0.00 0.00 57.72 58.82 1lrk n HIS 184 Cb 0.64 -2.33 0.97 0.00 -0.12 0.00 0.00 29.99 29.15 1lrk n HIS 184 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1lrk h PRO 185 N 2.52 0.00 0.00 1.57 0.13 -1.93 -1.17 132.00 133.12 1lrk h PRO 185 Ca -0.43 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.68 1lrk h PRO 185 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 1lrk h PRO 185 CO 0.63 0.00 -0.12 0.66 -0.23 0.00 0.00 178.00 178.94 1lrk h SER 186 N 0.00 0.00 0.00 1.44 4.64 -1.93 -3.46 113.55 114.24 1lrk h SER 186 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lrk h SER 186 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1lrk h SER 186 CO 0.00 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 1lrk n GLY 187 N -0.09 0.48 0.97 -0.77 0.00 -0.44 -4.90 105.19 100.45 1lrk n GLY 187 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1lrk n GLY 187 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lrk n ASP 188 N -0.13 3.07 -3.88 1.61 10.43 -1.26 -4.14 116.55 122.25 1lrk n ASP 188 Ca 0.00 -1.94 -0.11 0.00 2.57 0.00 0.00 54.79 55.31 1lrk n ASP 188 Cb 0.06 -0.10 -0.11 0.00 1.84 0.00 0.00 41.12 42.81 1lrk n ASP 188 CO 0.00 0.00 0.00 -0.04 -1.07 0.00 0.00 177.20 176.09 1lrk s MET 189 N -1.67 0.29 -0.04 -1.24 -1.94 -1.26 -5.01 119.30 108.44 1lrk s MET 189 Ca 0.30 -0.20 -0.16 0.00 -1.71 0.00 0.00 55.69 53.92 1lrk s MET 189 Cb 0.20 0.12 0.05 0.00 2.01 0.00 0.00 34.83 37.21 1lrk s MET 189 CO 0.29 -0.06 0.70 0.41 -0.01 0.00 0.00 175.02 176.35 1lrk n GLY 190 N 2.18 0.30 3.72 -0.03 0.00 -1.26 -3.20 105.19 106.89 1lrk n GLY 190 Ca -0.18 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1lrk n GLY 190 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lrk s GLU 191 N -2.00 4.50 -0.60 1.61 2.12 -1.26 -4.91 118.70 118.16 1lrk s GLU 191 Ca 0.17 1.65 0.06 0.00 0.36 0.00 0.00 54.97 57.21 1lrk s GLU 191 Cb -0.00 -3.37 0.26 0.00 0.26 0.00 0.00 34.13 31.28 1lrk s GLU 191 CO -0.01 -0.13 0.74 -3.47 -0.54 0.00 0.00 175.26 171.85 1lrk n ASP 192 N 3.64 3.38 -4.77 -1.70 2.03 -1.26 -5.05 116.55 112.81 1lrk n ASP 192 Ca 0.07 -3.38 -0.38 0.00 0.52 0.00 0.00 54.79 51.62 1lrk n ASP 192 Cb 0.48 -0.65 -0.05 0.00 -0.72 0.00 0.00 41.12 40.17 1lrk n ASP 192 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1lrk s PRO 193 N -2.45 4.54 -0.02 -0.67 0.04 -1.26 -5.02 135.00 130.17 1lrk s PRO 193 Ca 0.40 1.56 -0.08 0.00 0.04 0.00 0.00 61.00 62.93 1lrk s PRO 193 Cb 0.17 -2.94 -0.05 0.00 0.04 0.00 0.00 34.50 31.72 1lrk s PRO 193 CO -0.04 0.19 0.27 -0.65 0.04 0.00 0.00 177.00 176.81 1lrk s GLN 194 N -1.82 3.61 2.24 4.56 -1.52 -1.26 -4.95 119.66 120.52 1lrk s GLN 194 Ca 0.49 -0.00 0.00 0.00 -1.95 0.00 0.00 55.36 53.89 1lrk s GLN 194 Cb -0.25 -3.12 0.00 0.00 -0.22 0.00 0.00 33.01 29.42 1lrk s GLN 194 CO 0.32 0.68 0.00 0.41 -0.25 0.00 0.00 175.29 176.45 1lrk n GLY 195 N 1.40 -0.61 3.69 3.09 0.00 -1.26 -4.77 105.19 106.73 1lrk n GLY 195 Ca -0.13 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 1lrk n GLY 195 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lrk s ILE 196 N 0.00 3.54 0.15 -0.61 1.01 -1.26 -4.98 121.20 119.05 1lrk s ILE 196 Ca 0.00 0.95 -0.30 0.00 0.00 0.00 0.00 60.65 61.30 1lrk s ILE 196 Cb 0.00 -3.61 -0.07 0.00 0.01 0.00 0.00 42.46 38.79 1lrk s ILE 196 CO 0.00 0.00 1.16 -2.84 0.00 0.00 0.00 174.94 173.27 1lrk s PRO 197 N 2.39 4.51 -0.07 2.79 0.02 -1.26 -4.95 135.00 138.42 1lrk s PRO 197 Ca 0.66 1.79 -0.04 0.00 0.02 0.00 0.00 61.00 63.43 1lrk s PRO 197 Cb -0.34 -3.28 -0.27 0.00 0.02 0.00 0.00 34.50 30.63 1lrk s PRO 197 CO 0.28 -0.08 0.56 -0.91 -0.33 0.00 0.00 177.00 176.52 1lrk h ASN 198 N 5.61 0.40 -3.28 2.53 4.21 -1.97 -3.43 115.58 119.64 1lrk h ASN 198 Ca -0.44 -0.75 -0.53 0.00 1.21 0.00 0.00 56.30 55.80 1lrk h ASN 198 Cb 1.21 -0.13 0.01 0.00 -1.12 0.00 0.00 38.32 38.29 1lrk h ASN 198 CO 0.75 1.65 0.58 0.20 -1.29 0.00 0.00 177.43 179.32 1lrk s ASN 199 N -6.95 7.06 0.16 5.81 0.02 -1.26 -4.98 114.94 114.80 1lrk s ASN 199 Ca -0.16 2.13 -0.30 0.00 -1.02 0.00 0.00 52.86 53.51 1lrk s ASN 199 Cb 0.07 -2.59 -0.04 0.00 0.02 0.00 0.00 41.25 38.70 1lrk s ASN 199 CO 0.81 -0.45 1.54 0.25 0.02 0.00 0.00 177.10 179.27 1lrk h LEU 200 N 6.22 -2.00 -0.15 0.60 5.85 -1.99 -2.27 115.31 121.58 1lrk h LEU 200 Ca -0.43 0.31 0.04 0.00 0.84 0.00 0.00 57.88 58.64 1lrk h LEU 200 Cb 1.21 0.89 -0.07 0.00 0.37 0.00 0.00 40.66 43.06 1lrk h LEU 200 CO 0.79 -0.28 -0.41 -0.03 -0.34 0.00 0.00 178.44 178.18 1lrk h MET 201 N -0.09 -0.46 -0.97 1.25 4.05 -1.97 0.30 114.93 117.05 1lrk h MET 201 Ca 0.16 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.71 1lrk h MET 201 Cb 0.47 0.10 -0.07 0.00 -0.80 0.00 0.00 31.60 31.30 1lrk h MET 201 CO -0.86 -0.30 0.62 -1.35 0.23 0.00 0.00 176.91 175.24 1lrk h PRO 202 N -0.47 0.97 0.29 0.39 0.11 -1.92 0.23 132.00 131.60 1lrk h PRO 202 Ca 0.08 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1lrk h PRO 202 Cb 0.62 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.51 1lrk h PRO 202 CO -0.40 0.64 -0.14 -0.92 -0.21 0.00 0.00 178.00 176.97 1lrk h TYR 203 N 1.00 -0.36 -0.83 0.65 5.03 -0.78 0.52 116.97 122.20 1lrk h TYR 203 Ca 0.45 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.87 1lrk h TYR 203 Cb 0.39 0.12 -0.08 0.00 1.55 0.00 0.00 36.73 38.70 1lrk h TYR 203 CO -0.00 -0.11 0.45 0.82 -1.32 0.00 0.00 178.16 178.00 1lrk h ILE 204 N -0.55 0.83 -0.79 1.81 2.04 0.29 0.14 117.51 121.29 1lrk h ILE 204 Ca -0.04 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.59 1lrk h ILE 204 Cb 0.40 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 1lrk h ILE 204 CO 0.06 0.13 0.52 0.00 0.00 0.00 0.00 178.15 178.86 1lrk h ALA 205 N 1.50 1.01 -0.03 1.87 0.00 -0.27 -0.90 119.26 122.44 1lrk h ALA 205 Ca 0.43 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.18 1lrk h ALA 205 Cb 0.49 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1lrk h ALA 205 CO -0.30 0.39 -0.49 1.96 0.00 0.00 0.00 179.25 180.81 1lrk h GLN 206 N 1.05 0.07 -0.23 0.00 4.20 0.11 -1.27 115.11 119.05 1lrk h GLN 206 Ca 0.30 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.85 1lrk h GLN 206 Cb -0.09 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1lrk h GLN 206 CO -0.08 0.55 -0.29 0.28 -0.67 0.00 0.00 178.83 178.63 1lrk h VAL 207 N 0.06 1.32 -0.60 -0.54 2.07 -0.97 0.70 116.25 118.30 1lrk h VAL 207 Ca -0.00 -1.48 -0.08 0.00 0.82 0.00 0.00 66.70 65.96 1lrk h VAL 207 Cb 0.90 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 1lrk h VAL 207 CO 0.07 0.46 0.04 0.00 0.02 0.00 0.00 177.57 178.16 1lrk h ALA 208 N 0.65 0.94 0.00 1.67 0.00 -0.97 -1.64 119.26 119.91 1lrk h ALA 208 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1lrk h ALA 208 Cb 0.86 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1lrk h ALA 208 CO 0.07 0.65 0.00 1.55 0.00 0.00 0.00 179.25 181.51 1lrk n VAL 209 N -4.20 0.69 -0.21 0.00 3.14 -0.50 -4.87 118.33 112.38 1lrk n VAL 209 Ca 0.03 0.16 0.00 0.00 -2.96 0.00 0.00 64.34 61.58 1lrk n VAL 209 Cb 0.31 -0.85 0.00 0.00 -1.06 0.00 0.00 33.84 32.24 1lrk n VAL 209 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1lrk n GLY 210 N 0.47 0.79 0.21 7.55 0.00 -0.62 -4.96 105.19 108.64 1lrk n GLY 210 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1lrk n GLY 210 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1lrk h ARG 211 N 3.80 0.00 -5.02 1.61 9.65 0.20 -3.46 114.38 121.18 1lrk h ARG 211 Ca 0.00 0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.53 1lrk h ARG 211 Cb 0.00 0.00 -0.20 0.00 -1.39 0.00 0.00 29.97 28.38 1lrk h ARG 211 CO 0.00 0.08 -0.75 1.03 2.80 0.00 0.00 179.97 183.13 1lrk s ARG 212 N -3.18 0.74 -0.04 0.20 0.52 -0.89 -4.94 118.95 111.35 1lrk s ARG 212 Ca 0.06 -0.95 -0.15 0.00 -0.52 0.00 0.00 55.73 54.18 1lrk s ARG 212 Cb 0.05 -0.59 -0.09 0.00 0.52 0.00 0.00 34.95 34.84 1lrk s ARG 212 CO 0.68 0.12 0.62 0.22 0.02 0.00 0.00 175.30 176.95 1lrk h ASP 213 N 4.16 -0.38 -4.88 0.23 3.58 -1.88 -3.39 116.42 113.87 1lrk h ASP 213 Ca -0.38 -0.05 -0.11 0.00 0.42 0.00 0.00 57.03 56.90 1lrk h ASP 213 Cb 1.19 0.10 -0.20 0.00 1.72 0.00 0.00 39.33 42.14 1lrk h ASP 213 CO 0.44 0.08 -0.24 -0.55 -2.88 0.00 0.00 179.24 176.09 1lrk s SER 214 N -5.07 -0.25 0.02 2.28 0.15 -1.26 -4.69 113.70 104.87 1lrk s SER 214 Ca -0.08 0.20 -0.26 0.00 0.70 0.00 0.00 55.95 56.51 1lrk s SER 214 Cb 0.01 0.38 -0.05 0.00 -1.71 0.00 0.00 66.02 64.65 1lrk s SER 214 CO 0.26 -0.43 0.80 -0.22 1.20 0.00 0.00 173.24 174.85 1lrk s LEU 215 N -1.17 4.41 -0.14 3.45 2.96 0.78 -4.90 118.68 124.07 1lrk s LEU 215 Ca -0.12 1.45 -0.17 0.00 -0.22 0.00 0.00 54.13 55.07 1lrk s LEU 215 Cb -0.05 -3.29 -0.04 0.00 0.50 0.00 0.00 46.19 43.32 1lrk s LEU 215 CO 0.04 -0.07 0.45 0.00 -1.32 0.00 0.00 176.35 175.45 1lrk s ALA 216 N 0.34 3.51 -0.30 5.97 0.00 -1.26 -0.53 121.76 129.48 1lrk s ALA 216 Ca 0.41 -0.28 -0.11 0.00 0.00 0.00 0.00 51.96 51.98 1lrk s ALA 216 Cb -0.20 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 1lrk s ALA 216 CO 0.23 -0.07 0.19 0.42 0.00 0.00 0.00 175.76 176.53 1lrk s ILE 217 N 0.80 5.08 -0.98 0.00 1.01 0.50 -4.89 121.20 122.70 1lrk s ILE 217 Ca 0.24 -0.07 -0.23 0.00 0.00 0.00 0.00 60.65 60.58 1lrk s ILE 217 Cb -0.15 -3.50 0.02 0.00 0.01 0.00 0.00 42.46 38.85 1lrk s ILE 217 CO 0.09 0.15 1.58 -0.36 0.00 0.00 0.00 174.94 176.41 1lrk s PHE 218 N 1.71 2.33 0.00 3.97 2.99 -1.26 0.38 117.98 128.10 1lrk s PHE 218 Ca 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 56.93 56.55 1lrk s PHE 218 Cb -0.16 -4.53 0.00 0.00 0.00 0.00 0.00 43.02 38.33 1lrk s PHE 218 CO 0.09 -1.89 0.00 0.41 -0.00 0.00 0.00 175.22 173.83 1lrk n GLY 219 N 6.86 -1.16 0.63 4.36 0.00 -0.51 -4.33 105.19 111.04 1lrk n GLY 219 Ca 0.35 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1lrk n GLY 219 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1lrk n ASN 220 N -0.96 0.12 -0.76 1.61 0.23 -1.25 -4.51 115.26 109.73 1lrk n ASN 220 Ca 0.00 -1.95 0.06 0.00 -0.53 0.00 0.00 54.58 52.15 1lrk n ASN 220 Cb 0.00 -0.20 0.15 0.00 -2.08 0.00 0.00 39.78 37.65 1lrk n ASN 220 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1lrk n ASP 221 N 0.06 1.55 -4.87 0.53 3.85 -0.92 -4.61 116.55 112.14 1lrk n ASP 221 Ca 0.01 -3.33 -0.31 0.00 -0.71 0.00 0.00 54.79 50.44 1lrk n ASP 221 Cb 0.75 -0.46 -0.01 0.00 -1.35 0.00 0.00 41.12 40.05 1lrk n ASP 221 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1lrk s TYR 222 N -2.35 3.56 -0.48 2.11 2.02 -0.21 -4.94 117.35 117.06 1lrk s TYR 222 Ca 0.35 1.28 -0.06 0.00 -0.37 0.00 0.00 57.07 58.27 1lrk s TYR 222 Cb 0.36 -2.68 -0.18 0.00 -0.40 0.00 0.00 41.96 39.05 1lrk s TYR 222 CO -0.08 -0.51 3.01 -0.35 -1.57 0.00 0.00 175.55 176.05 1lrk n PRO 223 N -2.24 2.21 -4.50 -1.71 -0.04 -1.26 -4.10 135.00 123.36 1lrk n PRO 223 Ca 0.05 -1.23 -0.24 0.00 -0.04 0.00 0.00 63.50 62.04 1lrk n PRO 223 Cb 0.54 -2.19 -0.10 0.00 -0.04 0.00 0.00 33.50 31.71 1lrk n PRO 223 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1lrk s THR 224 N 1.73 2.00 0.29 0.52 -4.23 -1.26 -5.02 115.64 109.67 1lrk s THR 224 Ca 0.58 -2.17 0.03 0.00 -1.18 0.00 0.00 61.69 58.95 1lrk s THR 224 Cb 0.23 -2.57 0.28 0.00 1.34 0.00 0.00 72.50 71.78 1lrk s THR 224 CO -0.02 -0.24 1.74 -0.08 -0.54 0.00 0.00 174.62 175.48 1lrk h GLU 225 N 2.12 0.55 -0.23 3.99 4.81 -1.89 -2.54 114.58 121.40 1lrk h GLU 225 Ca -0.41 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1lrk h GLU 225 Cb 1.24 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1lrk h GLU 225 CO 0.69 0.37 0.00 -0.40 -0.73 0.00 0.00 179.01 178.94 1lrk n ASP 226 N -4.91 2.59 0.00 1.04 5.68 -1.26 -4.98 116.55 114.71 1lrk n ASP 226 Ca 0.21 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.71 1lrk n ASP 226 Cb 0.57 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 1lrk n ASP 226 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lrk n GLY 227 N 0.64 2.22 3.97 6.12 0.00 -0.96 -4.93 105.19 112.24 1lrk n GLY 227 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1lrk n GLY 227 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lrk s THR 228 N -2.85 5.00 0.36 2.61 -4.23 -1.26 -1.04 115.64 114.22 1lrk s THR 228 Ca 0.00 -0.88 -0.28 0.00 -1.18 0.00 0.00 61.69 59.34 1lrk s THR 228 Cb 0.00 -3.77 -0.11 0.00 1.34 0.00 0.00 72.50 69.96 1lrk s THR 228 CO 0.00 -0.34 1.45 -0.83 -0.54 0.00 0.00 174.62 174.36 1lrk s GLY 229 N -4.03 2.88 -0.20 3.99 0.00 -1.26 -4.66 107.32 104.03 1lrk s GLY 229 Ca 0.37 1.49 -0.06 0.00 0.00 0.00 0.00 44.72 46.53 1lrk s GLY 229 CO 0.31 2.20 0.03 0.14 0.00 0.00 0.00 173.10 175.78 1lrk s VAL 230 N -1.01 4.22 0.39 1.40 1.01 0.73 -1.81 120.40 125.34 1lrk s VAL 230 Ca 0.53 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.32 1lrk s VAL 230 Cb -0.45 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1lrk s VAL 230 CO 0.59 0.42 0.13 -0.13 0.00 0.00 0.00 175.10 176.11 1lrk s ARG 231 N 0.93 1.89 -0.24 2.72 1.81 -0.02 -0.95 118.95 125.09 1lrk s ARG 231 Ca 0.02 -2.14 -0.04 0.00 -1.72 0.00 0.00 55.73 51.85 1lrk s ARG 231 Cb -0.14 -0.55 -0.00 0.00 -0.45 0.00 0.00 34.95 33.80 1lrk s ARG 231 CO 0.02 -0.47 -0.03 0.34 -0.68 0.00 0.00 175.30 174.49 1lrk s ASP 232 N -3.58 4.44 -0.06 0.23 3.68 -1.22 -0.56 116.67 119.61 1lrk s ASP 232 Ca 0.26 -0.50 0.04 0.00 2.13 0.00 0.00 52.55 54.47 1lrk s ASP 232 Cb 0.03 -1.75 0.00 0.00 -1.45 0.00 0.00 42.92 39.75 1lrk s ASP 232 CO 0.15 -0.06 -0.17 -0.31 0.13 0.00 0.00 175.17 174.91 1lrk s TYR 233 N 1.46 1.79 -0.06 -5.34 2.02 -1.26 -1.13 117.35 114.83 1lrk s TYR 233 Ca 0.04 -0.59 0.03 0.00 -0.37 0.00 0.00 57.07 56.18 1lrk s TYR 233 Cb -0.15 -1.23 0.01 0.00 -0.40 0.00 0.00 41.96 40.19 1lrk s TYR 233 CO -0.03 -0.23 -0.14 -1.50 -1.57 0.00 0.00 175.55 172.08 1lrk s ILE 234 N 0.23 1.25 0.19 2.71 2.07 0.13 -4.61 121.20 123.17 1lrk s ILE 234 Ca -0.09 -0.57 -0.32 0.00 -1.41 0.00 0.00 60.65 58.27 1lrk s ILE 234 Cb -0.14 -1.11 -0.11 0.00 0.13 0.00 0.00 42.46 41.23 1lrk s ILE 234 CO 0.04 0.37 1.63 -2.28 -1.91 0.00 0.00 174.94 172.80 1lrk s HIS 235 N 0.45 2.99 0.53 3.50 5.65 -1.26 -1.11 115.29 126.03 1lrk s HIS 235 Ca -0.11 0.51 0.29 0.00 0.25 0.00 0.00 55.06 56.00 1lrk s HIS 235 Cb -0.14 -4.02 1.44 0.00 -1.18 0.00 0.00 32.58 28.68 1lrk s HIS 235 CO 0.03 -3.81 1.92 -0.24 -0.65 0.00 0.00 174.74 172.00 1lrk h VAL 236 N 3.90 0.62 -0.29 0.89 3.04 -0.85 -1.13 116.25 122.43 1lrk h VAL 236 Ca -0.43 -0.00 -0.18 0.00 -1.01 0.00 0.00 66.70 65.07 1lrk h VAL 236 Cb 1.20 0.60 -0.00 0.00 -2.01 0.00 0.00 31.29 31.09 1lrk h VAL 236 CO 0.93 0.00 -0.54 0.24 -1.01 0.00 0.00 177.57 177.19 1lrk h MET 237 N 0.01 0.86 -0.47 4.17 2.86 -1.89 0.45 114.93 120.92 1lrk h MET 237 Ca 0.37 -0.54 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 1lrk h MET 237 Cb 1.47 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 33.17 1lrk h MET 237 CO -0.01 1.18 0.20 -0.44 1.06 0.00 0.00 176.91 178.90 1lrk h ASP 238 N 0.66 0.63 -0.07 1.22 3.32 -1.63 -0.35 116.42 120.21 1lrk h ASP 238 Ca 0.02 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 1lrk h ASP 238 Cb 1.15 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.53 1lrk h ASP 238 CO 0.12 0.61 0.04 0.25 -1.72 0.00 0.00 179.24 178.54 1lrk h LEU 239 N 0.61 0.08 -0.36 1.55 5.85 -1.17 0.00 115.31 121.88 1lrk h LEU 239 Ca 0.16 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.87 1lrk h LEU 239 Cb 0.16 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1lrk h LEU 239 CO -0.02 0.10 0.14 0.00 -0.34 0.00 0.00 178.44 178.32 1lrk h ALA 240 N 0.98 0.43 -0.74 1.25 0.00 -0.84 -1.28 119.26 119.06 1lrk h ALA 240 Ca 0.02 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1lrk h ALA 240 Cb 0.03 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1lrk h ALA 240 CO -0.00 -0.25 0.47 -0.44 0.00 0.00 0.00 179.25 179.02 1lrk h ASP 241 N 0.30 0.76 -0.59 0.00 3.32 -0.62 -1.36 116.42 118.23 1lrk h ASP 241 Ca 0.16 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1lrk h ASP 241 Cb 0.13 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1lrk h ASP 241 CO -0.16 0.52 0.36 1.23 -1.72 0.00 0.00 179.24 179.47 1lrk h GLY 242 N 0.90 0.87 1.06 2.75 0.00 -0.10 -0.72 103.07 107.83 1lrk h GLY 242 Ca 0.30 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 47.16 1lrk h GLY 242 CO -0.12 0.35 -0.16 0.45 0.00 0.00 0.00 176.54 177.06 1lrk h HIS 243 N 0.83 1.05 0.03 5.60 3.86 -0.37 -1.98 115.15 124.17 1lrk h HIS 243 Ca 0.22 -0.24 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1lrk h HIS 243 Cb -0.02 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.20 1lrk h HIS 243 CO 0.00 1.03 -0.01 0.28 0.86 0.00 0.00 177.93 180.09 1lrk h VAL 244 N 0.77 1.12 -0.42 2.45 2.07 -0.59 -1.64 116.25 120.00 1lrk h VAL 244 Ca 0.11 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.21 1lrk h VAL 244 Cb 0.72 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1lrk h VAL 244 CO 0.06 0.11 0.22 0.58 0.02 0.00 0.00 177.57 178.56 1lrk h VAL 245 N -0.23 1.00 -0.34 2.57 2.07 -1.14 0.32 116.25 120.50 1lrk h VAL 245 Ca -0.00 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.40 1lrk h VAL 245 Cb 0.21 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1lrk h VAL 245 CO 0.01 0.08 0.11 0.00 0.02 0.00 0.00 177.57 177.79 1lrk h ALA 246 N 1.21 0.39 -0.31 1.67 0.00 -1.35 0.26 119.26 121.13 1lrk h ALA 246 Ca 0.18 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1lrk h ALA 246 Cb 0.06 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1lrk h ALA 246 CO -0.11 -0.28 0.18 1.98 0.00 0.00 0.00 179.25 181.02 1lrk h MET 247 N 0.26 0.35 -0.25 0.00 -1.53 -0.65 0.98 114.93 114.10 1lrk h MET 247 Ca 0.15 -0.02 -0.05 0.00 -3.44 0.00 0.00 59.70 56.35 1lrk h MET 247 Cb 0.13 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.09 1lrk h MET 247 CO -0.16 0.23 -0.03 0.93 0.14 0.00 0.00 176.91 178.02 1lrk h GLU 248 N 0.36 0.46 0.00 0.39 5.08 -0.68 -2.72 114.58 117.47 1lrk h GLU 248 Ca 0.12 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1lrk h GLU 248 Cb 0.00 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1lrk h GLU 248 CO -0.06 0.66 -0.49 0.87 -1.00 0.00 0.00 179.01 179.00 1lrk h LYS 249 N 0.22 0.00 0.00 2.33 1.57 -0.36 -3.33 116.57 117.00 1lrk h LYS 249 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1lrk h LYS 249 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1lrk h LYS 249 CO 0.02 0.01 -1.17 1.28 -0.57 0.00 0.00 179.45 179.02 1lrk n LEU 250 N -2.91 0.57 -4.63 2.94 4.77 0.33 -4.86 117.00 113.21 1lrk n LEU 250 Ca 0.02 -0.02 -0.53 0.00 -0.03 0.00 0.00 56.01 55.45 1lrk n LEU 250 Cb 0.55 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1lrk n LEU 250 CO 0.37 0.03 1.04 0.00 -1.33 0.00 0.00 177.39 177.50 1lrk n ALA 251 N -1.90 -0.65 -1.13 -1.18 0.00 -1.03 -1.05 120.51 113.57 1lrk n ALA 251 Ca 0.01 0.47 -0.04 0.00 0.00 0.00 0.00 53.44 53.88 1lrk n ALA 251 Cb 0.46 -2.13 -0.02 0.00 0.00 0.00 0.00 19.45 17.76 1lrk n ALA 251 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1lrk n ASN 252 N 3.45 -4.35 -4.21 0.00 3.02 -1.26 -4.96 115.26 106.95 1lrk n ASN 252 Ca 0.21 0.11 -0.40 0.00 -0.03 0.00 0.00 54.58 54.46 1lrk n ASN 252 Cb 0.18 -2.24 -0.09 0.00 -0.61 0.00 0.00 39.78 37.02 1lrk n ASN 252 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1lrk s LYS 253 N -1.79 2.47 0.44 3.52 1.02 -0.22 -5.03 119.74 120.16 1lrk s LYS 253 Ca 0.00 -1.73 -0.25 0.00 0.02 0.00 0.00 55.97 54.01 1lrk s LYS 253 Cb 0.00 -3.88 -0.09 0.00 -0.52 0.00 0.00 37.83 33.34 1lrk s LYS 253 CO 0.00 -1.15 1.33 -2.30 -0.92 0.00 0.00 175.35 172.30 1lrk n PRO 254 N 4.89 2.00 0.00 -1.68 -0.02 -1.26 -4.42 135.00 134.51 1lrk n PRO 254 Ca -0.08 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1lrk n PRO 254 Cb 0.41 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1lrk n PRO 254 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lrk n GLY 255 N 0.74 1.75 3.22 -1.23 0.00 -0.42 -4.93 105.19 104.32 1lrk n GLY 255 Ca 0.06 -1.92 -0.38 0.00 0.00 0.00 0.00 46.02 43.79 1lrk n GLY 255 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lrk s VAL 256 N -1.35 3.73 -0.38 1.61 1.01 -1.26 -0.16 120.40 123.60 1lrk s VAL 256 Ca 0.00 -1.48 -0.13 0.00 0.00 0.00 0.00 61.98 60.36 1lrk s VAL 256 Cb 0.00 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 33.11 1lrk s VAL 256 CO 0.00 -0.41 0.25 -1.00 0.00 0.00 0.00 175.10 173.94 1lrk s HIS 257 N 1.33 3.24 -0.22 5.22 0.09 0.68 -4.98 115.29 120.64 1lrk s HIS 257 Ca 0.02 -0.66 -0.09 0.00 -0.00 0.00 0.00 55.06 54.33 1lrk s HIS 257 Cb -0.22 -2.51 -0.04 0.00 -0.00 0.00 0.00 32.58 29.81 1lrk s HIS 257 CO 0.00 -0.57 0.11 0.42 -0.00 0.00 0.00 174.74 174.70 1lrk s ILE 258 N 1.64 4.90 -0.02 0.60 1.01 -1.26 -0.31 121.20 127.77 1lrk s ILE 258 Ca 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.70 1lrk s ILE 258 Cb -0.19 -3.26 0.02 0.00 0.01 0.00 0.00 42.46 39.03 1lrk s ILE 258 CO 0.09 0.38 0.05 -0.31 0.00 0.00 0.00 174.94 175.15 1lrk s TYR 259 N 0.98 -0.03 0.06 3.97 1.51 -0.58 -4.96 117.35 118.28 1lrk s TYR 259 Ca 0.05 0.16 -0.22 0.00 -1.01 0.00 0.00 57.07 56.05 1lrk s TYR 259 Cb -0.14 -0.08 -0.06 0.00 -0.11 0.00 0.00 41.96 41.57 1lrk s TYR 259 CO 0.03 -0.06 0.67 -0.80 -1.11 0.00 0.00 175.55 174.28 1lrk s ASN 260 N 0.50 7.13 -0.22 2.29 0.01 -1.26 -0.67 114.94 122.72 1lrk s ASN 260 Ca -0.04 1.34 0.01 0.00 -0.71 0.00 0.00 52.86 53.46 1lrk s ASN 260 Cb -0.06 -2.41 0.03 0.00 0.41 0.00 0.00 41.25 39.22 1lrk s ASN 260 CO -0.02 0.14 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.80 1lrk s LEU 261 N -0.52 2.72 0.03 0.60 1.43 0.35 -4.64 118.68 118.65 1lrk s LEU 261 Ca 0.33 -0.91 -0.27 0.00 -1.03 0.00 0.00 54.13 52.26 1lrk s LEU 261 Cb -0.20 -1.54 0.09 0.00 0.03 0.00 0.00 46.19 44.58 1lrk s LEU 261 CO 0.21 -0.08 1.23 -0.83 0.23 0.00 0.00 176.35 177.10 1lrk s GLY 262 N 1.24 -0.11 0.39 -3.19 0.00 -1.26 -4.46 107.32 99.93 1lrk s GLY 262 Ca 0.00 0.03 0.21 0.00 0.00 0.00 0.00 44.72 44.96 1lrk s GLY 262 CO -0.09 4.17 1.61 0.00 0.00 0.00 0.00 173.10 178.79 1lrk h ALA 263 N 2.00 0.88 0.00 3.20 0.00 -1.87 -3.41 119.26 120.05 1lrk h ALA 263 Ca -0.24 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1lrk h ALA 263 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1lrk h ALA 263 CO 0.32 0.29 0.00 0.41 0.00 0.00 0.00 179.25 180.27 1lrk n GLY 264 N 0.91 0.78 3.17 0.00 0.00 -1.25 -4.92 105.19 103.87 1lrk n GLY 264 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 1lrk n GLY 264 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1lrk s VAL 265 N -2.19 0.14 0.22 1.61 -7.23 -1.26 -4.87 120.40 106.82 1lrk s VAL 265 Ca 0.00 -1.69 0.06 0.00 -1.81 0.00 0.00 61.98 58.54 1lrk s VAL 265 Cb 0.00 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 1lrk s VAL 265 CO 0.00 -0.62 0.17 -0.83 -0.31 0.00 0.00 175.10 173.51 1lrk s GLY 266 N -2.97 1.53 0.00 2.32 0.00 -1.26 -4.68 107.32 102.26 1lrk s GLY 266 Ca 0.15 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.53 1lrk s GLY 266 CO -0.04 -1.37 -0.02 -1.31 0.00 0.00 0.00 173.10 170.36 1lrk s ASN 267 N -3.55 0.21 0.79 1.64 -0.87 0.28 -4.89 114.94 108.55 1lrk s ASN 267 Ca 0.32 -0.11 -0.11 0.00 -1.57 0.00 0.00 52.86 51.39 1lrk s ASN 267 Cb -0.09 -0.00 0.07 0.00 -0.02 0.00 0.00 41.25 41.22 1lrk s ASN 267 CO 0.24 -0.03 1.16 -0.94 -2.57 0.00 0.00 177.10 174.96 1lrk s SER 268 N -0.28 4.58 0.12 -1.22 1.04 -1.26 -0.84 113.70 115.84 1lrk s SER 268 Ca -0.02 0.77 -0.19 0.00 0.48 0.00 0.00 55.95 56.98 1lrk s SER 268 Cb -0.02 -1.29 -0.06 0.00 0.10 0.00 0.00 66.02 64.75 1lrk s SER 268 CO -0.00 -1.85 1.77 0.58 0.98 0.00 0.00 173.24 174.72 1lrk h VAL 269 N -1.00 1.03 -0.77 5.02 2.07 -1.62 -0.79 116.25 120.19 1lrk h VAL 269 Ca -0.46 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1lrk h VAL 269 Cb 1.32 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 1lrk h VAL 269 CO 0.65 0.05 0.46 -0.07 0.02 0.00 0.00 177.57 178.68 1lrk h LEU 270 N 0.26 0.92 -0.57 2.57 3.38 -1.94 0.04 115.31 119.97 1lrk h LEU 270 Ca 0.08 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1lrk h LEU 270 Cb -0.01 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1lrk h LEU 270 CO -0.03 0.71 0.34 0.44 0.09 0.00 0.00 178.44 179.99 1lrk h ASP 271 N 1.06 0.56 -0.40 -0.43 3.32 -1.79 0.28 116.42 119.02 1lrk h ASP 271 Ca 0.28 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.25 1lrk h ASP 271 Cb -0.04 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1lrk h ASP 271 CO -0.05 0.39 -0.06 0.58 -1.72 0.00 0.00 179.24 178.37 1lrk h VAL 272 N 0.68 1.27 -0.17 -1.35 2.07 -0.24 -1.36 116.25 117.16 1lrk h VAL 272 Ca 0.23 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1lrk h VAL 272 Cb 0.02 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1lrk h VAL 272 CO -0.10 0.38 0.10 0.58 0.02 0.00 0.00 177.57 178.55 1lrk h VAL 273 N 0.56 1.06 -0.93 2.57 2.07 -0.61 -1.85 116.25 119.12 1lrk h VAL 273 Ca 0.10 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1lrk h VAL 273 Cb 0.57 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 1lrk h VAL 273 CO 0.03 0.06 0.61 0.78 0.02 0.00 0.00 177.57 179.08 1lrk h ASN 274 N 0.21 1.03 -0.89 0.57 -0.26 -0.39 0.14 115.58 115.99 1lrk h ASN 274 Ca 0.06 -0.02 0.01 0.00 -0.56 0.00 0.00 56.30 55.79 1lrk h ASN 274 Cb 0.01 -0.24 -0.04 0.00 -1.06 0.00 0.00 38.32 36.98 1lrk h ASN 274 CO -0.01 0.72 0.58 0.00 -1.06 0.00 0.00 177.43 177.66 1lrk h ALA 275 N 1.44 1.12 -0.08 -0.83 0.00 -0.87 -1.12 119.26 118.93 1lrk h ALA 275 Ca 0.36 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1lrk h ALA 275 Cb -0.04 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 1lrk h ALA 275 CO -0.10 0.53 -0.04 0.35 0.00 0.00 0.00 179.25 179.99 1lrk h PHE 276 N 1.20 0.20 -0.80 0.00 3.04 -0.74 -0.49 116.94 119.36 1lrk h PHE 276 Ca 0.32 -0.05 0.15 0.00 3.98 0.00 0.00 57.97 62.37 1lrk h PHE 276 Cb -0.13 -0.05 -0.10 0.00 2.56 0.00 0.00 35.95 38.24 1lrk h PHE 276 CO -0.01 0.55 0.36 0.77 -2.02 0.00 0.00 178.31 177.96 1lrk h SER 277 N -0.21 0.38 0.09 0.41 0.02 -0.49 0.16 113.55 113.91 1lrk h SER 277 Ca 0.02 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1lrk h SER 277 Cb 0.50 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 1lrk h SER 277 CO 0.01 0.14 -0.19 0.50 -1.14 0.00 0.00 176.83 176.16 1lrk h LYS 278 N 0.51 -0.34 -0.56 3.45 3.64 -1.02 -0.67 116.57 121.58 1lrk h LYS 278 Ca 0.44 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.76 1lrk h LYS 278 Cb 0.66 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 1lrk h LYS 278 CO -0.39 -0.23 0.02 0.00 -2.27 0.00 0.00 179.45 176.59 1lrk h ALA 279 N 0.49 0.76 -0.00 5.00 0.00 0.63 -3.15 119.26 122.98 1lrk h ALA 279 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1lrk h ALA 279 Cb 0.38 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1lrk h ALA 279 CO -0.12 0.57 -0.25 0.00 0.00 0.00 0.00 179.25 179.45 1lrk n GLY 281 N 1.40 0.59 3.52 0.00 0.00 -0.28 -5.01 105.19 105.40 1lrk n GLY 281 Ca 0.10 -0.86 -0.17 0.00 0.00 0.00 0.00 46.02 45.09 1lrk n GLY 281 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lrk s LYS 282 N -2.71 1.04 -0.05 1.61 -2.85 -1.06 -5.05 119.74 110.66 1lrk s LYS 282 Ca 0.00 0.18 -0.30 0.00 -1.00 0.00 0.00 55.97 54.85 1lrk s LYS 282 Cb 0.00 0.49 -0.06 0.00 -2.06 0.00 0.00 37.83 36.20 1lrk s LYS 282 CO 0.00 -0.34 1.68 -1.25 0.10 0.00 0.00 175.35 175.54 1lrk s PRO 283 N -1.44 4.17 0.21 1.78 0.04 -1.26 -4.34 135.00 134.15 1lrk s PRO 283 Ca -0.09 2.21 -0.30 0.00 0.04 0.00 0.00 61.00 62.86 1lrk s PRO 283 Cb -0.00 -4.00 -0.09 0.00 0.04 0.00 0.00 34.50 30.45 1lrk s PRO 283 CO 0.07 -0.87 1.33 0.08 0.04 0.00 0.00 177.00 177.65 1lrk s VAL 284 N 4.11 3.11 0.19 -0.36 1.01 -1.26 -4.99 120.40 122.21 1lrk s VAL 284 Ca 0.75 0.92 -0.30 0.00 0.00 0.00 0.00 61.98 63.35 1lrk s VAL 284 Cb -0.34 -3.59 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 1lrk s VAL 284 CO 0.30 0.14 0.94 0.21 0.00 0.00 0.00 175.10 176.69 1lrk s ASN 285 N 0.31 7.58 0.21 3.32 2.47 -1.26 -5.00 114.94 122.57 1lrk s ASN 285 Ca 0.57 1.87 -0.21 0.00 0.42 0.00 0.00 52.86 55.51 1lrk s ASN 285 Cb -0.37 -2.60 0.04 0.00 -1.45 0.00 0.00 41.25 36.87 1lrk s ASN 285 CO 0.39 0.07 0.61 -0.72 -3.72 0.00 0.00 177.10 173.73 1lrk s TYR 286 N -0.71 -0.30 0.16 0.43 1.13 -1.26 -0.16 117.35 116.64 1lrk s TYR 286 Ca 0.43 -0.02 -0.11 0.00 -1.41 0.00 0.00 57.07 55.96 1lrk s TYR 286 Cb -0.25 0.55 0.00 0.00 -1.10 0.00 0.00 41.96 41.16 1lrk s TYR 286 CO 0.31 -0.98 0.32 -3.38 -2.51 0.00 0.00 175.55 169.31 1lrk s HIS 287 N -3.84 0.25 0.06 -3.49 -3.43 0.31 -4.83 115.29 100.31 1lrk s HIS 287 Ca 0.07 -0.62 -0.04 0.00 -0.80 0.00 0.00 55.06 53.67 1lrk s HIS 287 Cb -0.02 0.04 -0.05 0.00 -1.43 0.00 0.00 32.58 31.12 1lrk s HIS 287 CO -0.04 -0.74 0.27 -0.06 -2.00 0.00 0.00 174.74 172.17 1lrk s PHE 288 N -3.93 3.53 0.43 0.38 0.40 -1.26 -0.37 117.98 117.15 1lrk s PHE 288 Ca 0.14 0.44 0.04 0.00 -0.60 0.00 0.00 56.93 56.95 1lrk s PHE 288 Cb 0.03 -1.90 -0.02 0.00 0.51 0.00 0.00 43.02 41.64 1lrk s PHE 288 CO -0.02 0.57 0.16 0.00 0.70 0.00 0.00 175.22 176.62 1lrk n ALA 289 N 0.58 0.61 -1.90 5.36 0.00 0.16 -4.79 120.51 120.53 1lrk n ALA 289 Ca -0.07 -2.17 -0.29 0.00 0.00 0.00 0.00 53.44 50.91 1lrk n ALA 289 Cb 0.52 1.47 0.07 0.00 0.00 0.00 0.00 19.45 21.51 1lrk n ALA 289 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1lrk s PRO 290 N -3.63 2.36 0.58 0.00 0.02 -1.26 -1.43 135.00 131.63 1lrk s PRO 290 Ca 0.22 0.23 -0.20 0.00 0.02 0.00 0.00 61.00 61.27 1lrk s PRO 290 Cb 0.01 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 1lrk s PRO 290 CO 0.16 -1.34 1.19 0.54 -0.33 0.00 0.00 177.00 177.23 1lrk n ARG 291 N -3.16 1.29 -3.19 5.54 1.74 -1.26 -3.19 116.66 114.43 1lrk n ARG 291 Ca 0.07 0.49 -0.39 0.00 -0.77 0.00 0.00 57.85 57.25 1lrk n ARG 291 Cb 0.59 -2.40 -0.06 0.00 -1.02 0.00 0.00 32.46 29.58 1lrk n ARG 291 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1lrk s ARG 292 N -2.88 4.31 0.15 5.56 3.52 -1.26 -4.86 118.95 123.48 1lrk s ARG 292 Ca 0.75 0.59 -0.33 0.00 -0.13 0.00 0.00 55.73 56.61 1lrk s ARG 292 Cb -0.42 -3.49 -0.12 0.00 -1.56 0.00 0.00 34.95 29.36 1lrk s ARG 292 CO 0.47 -0.01 1.73 -0.85 -0.81 0.00 0.00 175.30 175.83 1lrk n GLU 293 N 4.19 2.55 -0.29 5.12 0.28 -1.26 -2.42 120.64 128.81 1lrk n GLU 293 Ca -0.04 0.92 0.00 0.00 -0.16 0.00 0.00 57.16 57.89 1lrk n GLU 293 Cb 0.51 -2.76 0.00 0.00 1.43 0.00 0.00 31.44 30.62 1lrk n GLU 293 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1lrk n GLY 294 N 3.92 0.68 3.75 -1.84 0.00 -1.26 -5.06 105.19 105.38 1lrk n GLY 294 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1lrk n GLY 294 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lrk s ASP 295 N -2.83 7.33 0.49 1.61 -0.00 -1.02 -5.04 116.67 117.21 1lrk s ASP 295 Ca 0.00 2.14 -0.04 0.00 -0.00 0.00 0.00 52.55 54.65 1lrk s ASP 295 Cb 0.00 -2.61 -0.02 0.00 -0.00 0.00 0.00 42.92 40.28 1lrk s ASP 295 CO 0.00 -0.13 0.77 -0.76 -0.00 0.00 0.00 175.17 175.05 1lrk s LEU 296 N -0.95 3.58 0.18 1.23 1.43 -1.26 -4.99 118.68 117.90 1lrk s LEU 296 Ca 0.46 0.74 0.02 0.00 -1.03 0.00 0.00 54.13 54.32 1lrk s LEU 296 Cb -0.30 -3.64 0.05 0.00 0.03 0.00 0.00 46.19 42.32 1lrk s LEU 296 CO 0.37 -0.68 1.41 -0.65 0.23 0.00 0.00 176.35 177.03 1lrk h PRO 297 N 0.21 0.23 -2.75 1.29 0.10 -1.96 -3.45 132.00 125.66 1lrk h PRO 297 Ca -0.47 -0.22 -0.11 0.00 0.10 0.00 0.00 66.00 65.30 1lrk h PRO 297 Cb 1.22 0.06 -0.21 0.00 0.10 0.00 0.00 31.00 32.17 1lrk h PRO 297 CO 0.61 0.92 -0.18 0.00 0.10 0.00 0.00 178.00 179.45 1lrk s ALA 298 N -3.35 -1.04 -0.27 -0.75 0.00 -1.26 -0.19 121.76 114.90 1lrk s ALA 298 Ca -0.03 0.80 -0.22 0.00 0.00 0.00 0.00 51.96 52.51 1lrk s ALA 298 Cb 0.10 -0.21 0.08 0.00 0.00 0.00 0.00 23.12 23.09 1lrk s ALA 298 CO 0.82 -0.26 0.72 0.00 0.00 0.00 0.00 175.76 177.05 1lrk s TRP 300 N 0.86 -0.35 0.04 0.00 -2.14 -1.26 -3.39 118.94 112.71 1lrk s TRP 300 Ca -0.04 0.09 -0.02 0.00 2.66 0.00 0.00 56.10 58.79 1lrk s TRP 300 Cb -0.05 0.60 -0.04 0.00 -3.10 0.00 0.00 33.47 30.88 1lrk s TRP 300 CO -0.07 -0.84 0.23 0.00 -2.66 0.00 0.00 176.95 173.60 1lrk s ALA 301 N -3.54 3.95 -0.29 2.67 0.00 -1.26 -1.07 121.76 122.22 1lrk s ALA 301 Ca 0.06 -0.76 -0.22 0.00 0.00 0.00 0.00 51.96 51.05 1lrk s ALA 301 Cb -0.02 -1.91 -0.01 0.00 0.00 0.00 0.00 23.12 21.19 1lrk s ALA 301 CO -0.05 0.77 0.69 0.34 0.00 0.00 0.00 175.76 177.51 1lrk s ASP 302 N -2.25 6.59 -0.22 0.00 3.68 -0.15 -3.90 116.67 120.42 1lrk s ASP 302 Ca 0.33 0.60 0.15 0.00 2.13 0.00 0.00 52.55 55.76 1lrk s ASP 302 Cb -0.13 -2.36 0.73 0.00 -1.45 0.00 0.00 42.92 39.71 1lrk s ASP 302 CO 0.24 -0.50 1.65 0.00 0.13 0.00 0.00 175.17 176.69 1lrk n ALA 303 N 5.95 3.61 -0.32 3.66 0.00 -1.26 -4.66 120.51 127.49 1lrk n ALA 303 Ca 0.01 -2.05 0.00 0.00 0.00 0.00 0.00 53.44 51.41 1lrk n ALA 303 Cb 0.49 -1.00 0.14 0.00 0.00 0.00 0.00 19.45 19.08 1lrk n ALA 303 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1lrk h SER 304 N 3.32 0.88 -0.57 0.00 0.02 -1.93 -2.70 113.55 112.57 1lrk h SER 304 Ca 0.00 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.00 1lrk h SER 304 Cb 1.82 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 64.14 1lrk h SER 304 CO 0.41 0.57 0.33 0.50 -1.14 0.00 0.00 176.83 177.50 1lrk h LYS 305 N 1.02 0.62 -0.52 3.45 3.64 -1.92 0.16 116.57 123.01 1lrk h LYS 305 Ca 0.37 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.63 1lrk h LYS 305 Cb 0.13 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1lrk h LYS 305 CO -0.16 0.41 -0.03 0.00 -2.27 0.00 0.00 179.45 177.40 1lrk h ALA 306 N 1.27 0.97 -0.09 5.00 0.00 -1.78 0.33 119.26 124.96 1lrk h ALA 306 Ca 0.24 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1lrk h ALA 306 Cb 0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1lrk h ALA 306 CO -0.13 0.62 0.05 0.22 0.00 0.00 0.00 179.25 180.02 1lrk h ASP 307 N 0.83 0.11 0.08 0.00 -0.00 -1.02 -0.01 116.42 116.40 1lrk h ASP 307 Ca 0.15 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.03 57.12 1lrk h ASP 307 Cb 0.53 -0.03 0.00 0.00 -0.00 0.00 0.00 39.33 39.83 1lrk h ASP 307 CO 0.03 0.13 -0.04 -0.09 -0.00 0.00 0.00 179.24 179.27 1lrk h ARG 308 N 0.07 -0.10 0.14 0.28 9.65 -0.35 -0.51 114.38 123.56 1lrk h ARG 308 Ca 0.03 0.01 -0.30 0.00 -1.10 0.00 0.00 59.98 58.61 1lrk h ARG 308 Cb 0.05 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 1lrk h ARG 308 CO -0.01 0.20 -1.46 0.93 2.80 0.00 0.00 179.97 182.43 1lrk h GLU 309 N -0.41 0.30 -0.01 0.20 5.08 -0.39 -3.36 114.58 115.99 1lrk h GLU 309 Ca -0.01 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1lrk h GLU 309 Cb 0.35 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1lrk h GLU 309 CO 0.02 1.20 -0.23 1.28 -1.00 0.00 0.00 179.01 180.28 1lrk n LEU 310 N -3.52 1.70 -3.58 1.33 4.77 -0.06 -4.97 117.00 112.67 1lrk n LEU 310 Ca -0.15 -0.82 -0.25 0.00 -0.03 0.00 0.00 56.01 54.76 1lrk n LEU 310 Cb 1.05 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.20 1lrk n LEU 310 CO 0.53 0.32 0.18 -3.20 -1.33 0.00 0.00 177.39 173.89 1lrk n ASN 311 N 0.09 -5.96 -4.40 -1.43 5.15 -0.20 -4.98 115.26 103.52 1lrk n ASN 311 Ca 0.07 -0.55 -0.31 0.00 -0.60 0.00 0.00 54.58 53.18 1lrk n ASN 311 Cb 0.32 -4.72 -0.14 0.00 -0.53 0.00 0.00 39.78 34.71 1lrk n ASN 311 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 1lrk s TRP 312 N -3.28 2.50 0.15 1.20 -0.00 -0.98 -4.96 118.94 113.57 1lrk s TRP 312 Ca 0.56 -0.30 -0.17 0.00 -0.00 0.00 0.00 56.10 56.19 1lrk s TRP 312 Cb -0.26 -1.52 0.04 0.00 -0.00 0.00 0.00 33.47 31.73 1lrk s TRP 312 CO 0.70 0.12 0.46 -0.98 -0.00 0.00 0.00 176.95 177.25 1lrk s ARG 313 N -0.90 1.20 0.65 5.86 1.70 -1.26 -2.41 118.95 123.79 1lrk s ARG 313 Ca 0.12 -0.75 -0.15 0.00 -0.47 0.00 0.00 55.73 54.47 1lrk s ARG 313 Cb -0.10 0.50 -0.01 0.00 -0.57 0.00 0.00 34.95 34.77 1lrk s ARG 313 CO 0.01 -0.49 1.11 0.14 -1.08 0.00 0.00 175.30 174.99 1lrk s VAL 314 N -3.83 3.22 0.00 4.99 -7.23 -1.26 -4.96 120.40 111.33 1lrk s VAL 314 Ca 0.05 0.59 0.00 0.00 -1.81 0.00 0.00 61.98 60.81 1lrk s VAL 314 Cb 0.01 -3.12 0.00 0.00 0.56 0.00 0.00 36.38 33.83 1lrk s VAL 314 CO -0.09 -0.33 0.11 0.35 -0.31 0.00 0.00 175.10 174.83 1lrk n THR 315 N -2.29 0.00 -3.89 5.32 -2.24 -1.26 -5.06 114.28 104.85 1lrk n THR 315 Ca 0.11 -0.30 -0.27 0.00 -2.27 0.00 0.00 64.05 61.31 1lrk n THR 315 Cb 0.52 1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 69.86 1lrk n THR 315 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1lrk s ARG 316 N -0.38 3.46 0.45 -0.78 3.00 -1.26 -5.12 118.95 118.31 1lrk s ARG 316 Ca 0.00 -0.52 0.08 0.00 0.00 0.00 0.00 55.73 55.29 1lrk s ARG 316 Cb 0.00 -2.96 0.01 0.00 0.00 0.00 0.00 34.95 32.00 1lrk s ARG 316 CO 0.00 0.52 0.51 0.95 0.00 0.00 0.00 175.30 177.27 1lrk s THR 317 N -1.72 2.65 0.20 0.02 -4.23 -1.26 -4.89 115.64 106.42 1lrk s THR 317 Ca 0.35 -1.18 -0.11 0.00 -1.18 0.00 0.00 61.69 59.58 1lrk s THR 317 Cb -0.11 -2.83 0.14 0.00 1.34 0.00 0.00 72.50 71.04 1lrk s THR 317 CO 0.28 0.00 1.87 0.25 -0.54 0.00 0.00 174.62 176.48 1lrk h LEU 318 N 0.75 0.84 -0.75 4.79 5.85 -1.99 -0.07 115.31 124.72 1lrk h LEU 318 Ca -0.39 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 1lrk h LEU 318 Cb 1.28 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1lrk h LEU 318 CO 0.50 0.62 0.36 0.44 -0.34 0.00 0.00 178.44 180.02 1lrk h ASP 319 N 0.98 0.99 -0.60 1.25 3.32 -1.96 -1.14 116.42 119.26 1lrk h ASP 319 Ca 0.26 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1lrk h ASP 319 Cb -0.10 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.17 1lrk h ASP 319 CO -0.06 0.84 0.24 -0.33 -1.72 0.00 0.00 179.24 178.21 1lrk h GLU 320 N 1.06 0.93 -0.42 3.56 5.08 -1.78 0.17 114.58 123.19 1lrk h GLU 320 Ca 0.26 -0.16 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 1lrk h GLU 320 Cb 0.12 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 1lrk h GLU 320 CO -0.03 0.77 0.16 0.52 -1.00 0.00 0.00 179.01 179.43 1lrk h MET 321 N 0.91 0.32 0.00 2.33 2.86 -0.05 -0.11 114.93 121.20 1lrk h MET 321 Ca 0.21 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1lrk h MET 321 Cb 0.20 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1lrk h MET 321 CO -0.02 0.21 -0.00 0.00 1.06 0.00 0.00 176.91 178.16 1lrk h ALA 322 N 1.26 -0.00 -0.28 6.32 0.00 -0.55 -2.70 119.26 123.32 1lrk h ALA 322 Ca 0.19 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1lrk h ALA 322 Cb 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1lrk h ALA 322 CO -0.19 -0.41 0.06 1.96 0.00 0.00 0.00 179.25 180.68 1lrk h GLN 323 N -0.20 0.17 -0.41 0.00 4.20 -0.46 -0.33 115.11 118.08 1lrk h GLN 323 Ca -0.00 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 1lrk h GLN 323 Cb 0.20 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1lrk h GLN 323 CO 0.00 0.11 -0.05 -0.44 -0.67 0.00 0.00 178.83 177.78 1lrk h ASP 324 N 0.17 0.66 0.54 1.46 3.32 -1.07 0.36 116.42 121.86 1lrk h ASP 324 Ca 0.13 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1lrk h ASP 324 Cb 0.13 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.51 1lrk h ASP 324 CO -0.16 0.76 -0.26 0.74 -1.72 0.00 0.00 179.24 178.60 1lrk h THR 325 N 0.64 0.42 -0.72 0.35 2.02 -1.18 -1.60 112.91 112.83 1lrk h THR 325 Ca 0.12 -0.23 0.05 0.00 0.77 0.00 0.00 66.41 67.12 1lrk h THR 325 Cb 0.47 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 1lrk h THR 325 CO 0.02 0.04 0.48 -0.25 0.37 0.00 0.00 175.52 176.17 1lrk h TRP 326 N -0.88 0.80 -0.55 3.16 2.91 -0.86 -1.02 115.95 119.50 1lrk h TRP 326 Ca -0.07 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 59.96 1lrk h TRP 326 Cb 0.61 -0.26 -0.03 0.00 -0.51 0.00 0.00 29.16 28.97 1lrk h TRP 326 CO -0.01 0.44 0.32 1.25 -1.03 0.00 0.00 178.44 179.42 1lrk h HIS 327 N 0.81 0.73 -0.37 2.65 2.76 -0.11 -0.89 115.15 120.73 1lrk h HIS 327 Ca 0.30 -0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.33 1lrk h HIS 327 Cb 0.17 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 1lrk h HIS 327 CO -0.00 0.51 -0.30 2.35 -1.30 0.00 0.00 177.93 179.20 1lrk h TRP 328 N 0.74 0.93 -0.41 5.26 2.91 -0.37 -1.91 115.95 123.10 1lrk h TRP 328 Ca 0.20 -0.24 -0.01 0.00 1.13 0.00 0.00 58.89 59.97 1lrk h TRP 328 Cb 0.00 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 28.42 1lrk h TRP 328 CO -0.02 0.99 0.23 1.96 -1.03 0.00 0.00 178.44 180.58 1lrk h GLN 329 N 0.68 0.57 -0.80 2.65 4.20 -1.01 0.54 115.11 121.95 1lrk h GLN 329 Ca 0.08 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.76 1lrk h GLN 329 Cb 0.83 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 28.45 1lrk h GLN 329 CO 0.07 0.45 0.51 0.77 -0.67 0.00 0.00 178.83 179.96 1lrk h SER 330 N 0.54 0.84 0.58 1.46 0.02 -0.97 -0.98 113.55 115.03 1lrk h SER 330 Ca 0.15 -0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.85 1lrk h SER 330 Cb 0.04 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 1lrk h SER 330 CO -0.02 0.57 -1.10 0.03 -1.14 0.00 0.00 176.83 175.17 1lrk h ARG 331 N 0.98 0.27 -2.10 3.45 3.08 -1.14 -3.39 114.38 115.53 1lrk h ARG 331 Ca 0.32 -0.39 -0.54 0.00 0.07 0.00 0.00 59.98 59.44 1lrk h ARG 331 Cb 0.02 0.13 -0.41 0.00 0.08 0.00 0.00 29.97 29.80 1lrk h ARG 331 CO -0.12 1.13 -0.95 0.72 -1.07 0.00 0.00 179.97 179.69 1lrk n HIS 332 N -3.59 1.59 -0.01 3.04 8.25 0.16 -4.95 115.22 119.71 1lrk n HIS 332 Ca -0.07 -3.86 0.23 0.00 -0.26 0.00 0.00 57.72 53.76 1lrk n HIS 332 Cb 0.94 -0.44 0.67 0.00 1.12 0.00 0.00 29.99 32.27 1lrk n HIS 332 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1lrk h PRO 333 N 3.34 0.00 -0.41 -0.41 0.13 -1.37 0.49 132.00 133.75 1lrk h PRO 333 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1lrk h PRO 333 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1lrk h PRO 333 CO 0.62 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.43 1lrk n GLN 334 N -3.59 3.06 0.00 0.86 1.13 -1.26 -5.07 117.38 112.52 1lrk n GLN 334 Ca 0.12 -2.47 0.00 0.00 -1.94 0.00 0.00 57.00 52.72 1lrk n GLN 334 Cb 0.90 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 29.68 1lrk n GLN 334 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1lrk n GLY 335 N 0.46 -0.03 3.75 1.08 0.00 0.17 -4.71 105.19 105.90 1lrk n GLY 335 Ca 0.18 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 1lrk n GLY 335 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lrk s TYR 336 N 0.00 3.66 0.51 1.61 2.02 -1.26 -4.93 117.35 118.96 1lrk s TYR 336 Ca 0.00 1.69 -0.21 0.00 -0.37 0.00 0.00 57.07 58.18 1lrk s TYR 336 Cb 0.00 -3.23 -0.06 0.00 -0.40 0.00 0.00 41.96 38.27 1lrk s TYR 336 CO 0.00 -0.39 1.16 -1.25 -1.57 0.00 0.00 175.55 173.50 1lrk s PRO 337 N -0.87 3.48 0.00 -1.71 0.04 -1.26 -5.04 135.00 129.64 1lrk s PRO 337 Ca 0.46 1.73 0.32 0.00 0.04 0.00 0.00 61.00 63.55 1lrk s PRO 337 Cb -0.30 -2.18 1.81 0.00 0.04 0.00 0.00 34.50 33.88 1lrk s PRO 337 CO 0.36 -0.78 2.17 -0.25 0.04 0.00 0.00 177.00 178.55