#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c54 s TYR 14 N 0.00 2.80 0.31 4.78 5.04 -1.26 -4.90 117.35 124.12 2c54 s TYR 14 Ca 0.00 -0.87 0.07 0.00 -2.44 0.00 0.00 57.07 53.83 2c54 s TYR 14 Cb 0.00 -4.35 0.50 0.00 0.35 0.00 0.00 41.96 38.45 2c54 s TYR 14 CO 0.00 -1.65 1.72 0.87 -1.34 0.00 0.00 175.55 175.16 2c54 h LYS 15 N 9.35 0.22 -0.22 4.97 1.79 -2.05 -3.11 116.57 127.52 2c54 h LYS 15 Ca -0.07 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 2c54 h LYS 15 Cb 1.05 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2c54 h LYS 15 CO 1.19 0.58 0.00 0.39 -1.08 0.00 0.00 179.45 180.53 2c54 n GLU 16 N -4.05 1.74 -2.21 3.15 1.02 -1.26 -4.86 120.64 114.17 2c54 n GLU 16 Ca -0.01 -1.13 -0.41 0.00 -0.02 0.00 0.00 57.16 55.58 2c54 n GLU 16 Cb 0.46 -1.35 -0.03 0.00 -0.02 0.00 0.00 31.44 30.50 2c54 n GLU 16 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2c54 s LEU 17 N -1.39 4.42 -0.38 -4.62 2.96 -1.18 -4.96 118.68 113.53 2c54 s LEU 17 Ca 0.29 2.42 -0.26 0.00 -0.22 0.00 0.00 54.13 56.36 2c54 s LEU 17 Cb 0.16 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 43.25 2c54 s LEU 17 CO 0.23 -0.53 0.94 -0.70 -1.32 0.00 0.00 176.35 174.97 2c54 s GLU 18 N -0.19 3.81 -0.17 1.98 2.12 -1.26 -5.02 118.70 119.96 2c54 s GLU 18 Ca 0.56 0.55 -0.05 0.00 0.36 0.00 0.00 54.97 56.39 2c54 s GLU 18 Cb -0.37 -3.82 -0.03 0.00 0.26 0.00 0.00 34.13 30.17 2c54 s GLU 18 CO 0.39 -0.99 0.00 1.03 -0.54 0.00 0.00 175.26 175.15 2c54 s ARG 19 N 3.54 3.76 0.01 4.30 0.52 -1.26 -5.09 118.95 124.73 2c54 s ARG 19 Ca 0.39 -0.46 -0.03 0.00 -0.52 0.00 0.00 55.73 55.10 2c54 s ARG 19 Cb -0.12 -3.05 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 2c54 s ARG 19 CO 0.20 0.20 0.21 -1.21 0.02 0.00 0.00 175.30 174.72 2c54 s GLU 20 N 0.52 3.47 0.35 3.54 2.02 -1.26 -5.08 118.70 122.26 2c54 s GLU 20 Ca -0.01 -0.29 -0.29 0.00 0.02 0.00 0.00 54.97 54.41 2c54 s GLU 20 Cb -0.14 -3.07 -0.11 0.00 0.10 0.00 0.00 34.13 30.91 2c54 s GLU 20 CO 0.02 0.65 1.51 -0.65 0.02 0.00 0.00 175.26 176.81 2c54 s GLN 21 N -2.02 4.13 0.15 1.61 -0.21 -1.26 -4.92 119.66 117.13 2c54 s GLN 21 Ca 0.29 2.55 -0.17 0.00 0.02 0.00 0.00 55.36 58.06 2c54 s GLN 21 Cb -0.13 -2.99 0.02 0.00 1.00 0.00 0.00 33.01 30.91 2c54 s GLN 21 CO 0.20 -0.55 1.77 -0.92 -2.12 0.00 0.00 175.29 173.68 2c54 h TYR 22 N 3.59 0.31 -0.61 0.91 3.20 -1.98 -3.41 116.97 118.97 2c54 h TYR 22 Ca -0.50 0.01 -0.26 0.00 3.14 0.00 0.00 58.73 61.12 2c54 h TYR 22 Cb 1.23 -0.09 -0.19 0.00 1.54 0.00 0.00 36.73 39.22 2c54 h TYR 22 CO 0.55 0.17 -0.59 1.87 -1.64 0.00 0.00 178.16 178.51 2c54 n TRP 23 N -4.95 -2.99 0.27 -3.82 -0.00 -1.26 -4.81 117.44 99.89 2c54 n TRP 23 Ca 0.00 -1.96 0.16 0.00 -0.00 0.00 0.00 57.50 55.70 2c54 n TRP 23 Cb 0.08 1.25 0.66 0.00 -0.00 0.00 0.00 31.31 33.29 2c54 n TRP 23 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 2c54 h PRO 24 N 4.33 0.00 0.00 5.87 0.13 -1.96 -3.26 132.00 137.10 2c54 h PRO 24 Ca -0.05 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 2c54 h PRO 24 Cb 1.02 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 2c54 h PRO 24 CO 0.27 0.04 -0.16 0.66 -0.23 0.00 0.00 178.00 178.58 2c54 h SER 25 N 0.00 0.00 -4.43 1.44 4.64 -1.99 -3.45 113.55 109.76 2c54 h SER 25 Ca -0.00 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.41 2c54 h SER 25 Cb 0.54 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.44 2c54 h SER 25 CO 0.00 0.16 0.51 -1.83 -0.87 0.00 0.00 176.83 174.80 2c54 s GLU 26 N -3.75 0.72 -0.14 4.77 -1.05 -1.23 -5.14 118.70 112.88 2c54 s GLU 26 Ca 0.00 -0.07 -0.28 0.00 -0.15 0.00 0.00 54.97 54.47 2c54 s GLU 26 Cb 0.10 0.34 -0.01 0.00 -0.44 0.00 0.00 34.13 34.12 2c54 s GLU 26 CO 0.60 -0.28 0.93 -0.80 0.95 0.00 0.00 175.26 176.66 2c54 s ASN 27 N -1.82 7.11 0.32 0.83 0.02 -1.26 -4.89 114.94 115.25 2c54 s ASN 27 Ca 0.01 1.36 0.07 0.00 -1.02 0.00 0.00 52.86 53.29 2c54 s ASN 27 Cb -0.01 -2.51 -0.03 0.00 0.02 0.00 0.00 41.25 38.73 2c54 s ASN 27 CO -0.03 -0.44 0.26 -0.76 0.02 0.00 0.00 177.10 176.15 2c54 s LEU 28 N 2.14 3.62 -0.27 0.60 1.43 -1.26 -4.93 118.68 120.01 2c54 s LEU 28 Ca 0.43 -0.47 -0.14 0.00 -1.03 0.00 0.00 54.13 52.93 2c54 s LEU 28 Cb -0.17 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 2c54 s LEU 28 CO 0.14 -0.29 0.32 -0.54 0.23 0.00 0.00 176.35 176.21 2c54 s LYS 29 N -3.96 4.01 -0.10 1.70 1.02 -1.26 -0.57 119.74 120.58 2c54 s LYS 29 Ca 0.39 -0.06 0.02 0.00 0.02 0.00 0.00 55.97 56.34 2c54 s LYS 29 Cb -0.06 -3.65 0.01 0.00 -0.52 0.00 0.00 37.83 33.62 2c54 s LYS 29 CO 0.26 -0.23 -0.14 0.42 -0.92 0.00 0.00 175.35 174.74 2c54 s ILE 30 N 1.92 1.38 -0.27 2.17 1.01 -0.08 -0.68 121.20 126.66 2c54 s ILE 30 Ca 0.13 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 60.08 2c54 s ILE 30 Cb -0.16 -1.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.99 2c54 s ILE 30 CO 0.10 0.42 0.22 -0.55 0.00 0.00 0.00 174.94 175.13 2c54 s SER 31 N 0.96 6.08 -0.21 3.58 0.15 0.07 -0.45 113.70 123.88 2c54 s SER 31 Ca -0.08 0.07 0.01 0.00 0.70 0.00 0.00 55.95 56.66 2c54 s SER 31 Cb -0.15 -2.14 0.04 0.00 -1.71 0.00 0.00 66.02 62.07 2c54 s SER 31 CO -0.01 -0.06 -0.12 -0.63 1.20 0.00 0.00 173.24 173.62 2c54 s ILE 32 N 1.73 1.85 0.28 6.45 1.01 0.13 -0.68 121.20 131.97 2c54 s ILE 32 Ca 0.09 -1.18 -0.06 0.00 0.00 0.00 0.00 60.65 59.51 2c54 s ILE 32 Cb -0.16 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 2c54 s ILE 32 CO 0.10 0.17 0.55 0.42 0.00 0.00 0.00 174.94 176.18 2c54 s THR 33 N 1.30 5.02 0.00 2.92 -4.23 -0.51 -1.89 115.64 118.24 2c54 s THR 33 Ca -0.02 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 2c54 s THR 33 Cb -0.17 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 69.96 2c54 s THR 33 CO -0.08 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.33 2c54 n GLY 34 N -0.79 0.43 0.00 3.99 0.00 0.52 -2.80 105.19 106.53 2c54 n GLY 34 Ca -0.01 -0.81 0.15 0.00 0.00 0.00 0.00 46.02 45.35 2c54 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c54 n ALA 35 N 0.90 2.64 1.07 4.61 0.00 -0.91 -1.11 120.51 127.72 2c54 n ALA 35 Ca 0.00 -0.19 0.13 0.00 0.00 0.00 0.00 53.44 53.39 2c54 n ALA 35 Cb 0.00 -1.49 0.63 0.00 0.00 0.00 0.00 19.45 18.59 2c54 n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c54 n GLY 36 N 0.91 -1.37 0.00 0.00 0.00 -1.26 -4.33 105.19 99.13 2c54 n GLY 36 Ca 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2c54 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c54 n GLY 37 N 1.27 4.68 0.00 -0.02 0.00 -0.26 -3.96 105.19 106.90 2c54 n GLY 37 Ca 0.09 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.04 2c54 n GLY 37 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2c54 n PHE 38 N -0.10 0.00 -0.15 1.61 7.35 -1.26 -3.36 117.46 121.55 2c54 n PHE 38 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 2c54 n PHE 38 Cb 0.00 -0.30 -0.00 0.00 0.35 0.00 0.00 39.48 39.53 2c54 n PHE 38 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2c54 h ILE 39 N 0.00 1.21 -0.31 -2.13 2.04 -1.93 -2.78 117.51 113.61 2c54 h ILE 39 Ca 0.00 -0.67 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 2c54 h ILE 39 Cb 0.00 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2c54 h ILE 39 CO 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 178.15 178.37 2c54 h ALA 40 N 1.00 1.39 -0.50 1.87 0.00 -1.77 -1.50 119.26 119.76 2c54 h ALA 40 Ca 0.14 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2c54 h ALA 40 Cb 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2c54 h ALA 40 CO -0.01 0.42 -0.04 0.66 0.00 0.00 0.00 179.25 180.29 2c54 h SER 41 N 0.46 0.83 -0.37 0.00 4.64 -1.50 -0.28 113.55 117.34 2c54 h SER 41 Ca 0.10 -0.23 -0.04 0.00 -0.47 0.00 0.00 61.79 61.16 2c54 h SER 41 Cb 0.34 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 2c54 h SER 41 CO 0.01 0.92 0.08 0.45 -0.87 0.00 0.00 176.83 177.42 2c54 h HIS 42 N 0.79 0.62 -0.68 4.77 -0.00 -1.25 -1.28 115.15 118.12 2c54 h HIS 42 Ca 0.14 -0.08 0.04 0.00 -0.00 0.00 0.00 60.37 60.47 2c54 h HIS 42 Cb 0.52 -0.17 -0.05 0.00 -0.00 0.00 0.00 27.41 27.71 2c54 h HIS 42 CO 0.03 0.62 0.41 0.82 -0.00 0.00 0.00 177.93 179.81 2c54 h ILE 43 N 0.44 1.06 0.02 2.45 2.04 -1.11 -1.83 117.51 120.58 2c54 h ILE 43 Ca 0.11 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 2c54 h ILE 43 Cb 0.32 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2c54 h ILE 43 CO 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 178.15 178.29 2c54 h ALA 44 N 1.31 -0.02 -0.63 1.87 0.00 -0.97 -0.60 119.26 120.21 2c54 h ALA 44 Ca 0.28 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.14 2c54 h ALA 44 Cb 0.07 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2c54 h ALA 44 CO -0.13 -0.41 0.35 -0.09 0.00 0.00 0.00 179.25 178.97 2c54 h ARG 45 N -0.22 0.64 -0.05 0.00 2.43 -1.12 -0.26 114.38 115.80 2c54 h ARG 45 Ca -0.00 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2c54 h ARG 45 Cb 0.21 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2c54 h ARG 45 CO 0.00 0.42 0.03 -0.09 -1.51 0.00 0.00 179.97 178.82 2c54 h ARG 46 N 0.66 0.08 -0.32 0.20 9.65 -1.05 -1.39 114.38 122.20 2c54 h ARG 46 Ca 0.28 -0.01 -0.10 0.00 -1.10 0.00 0.00 59.98 59.05 2c54 h ARG 46 Cb 0.15 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.71 2c54 h ARG 46 CO -0.17 0.18 -0.20 -0.07 2.80 0.00 0.00 179.97 182.50 2c54 h LEU 47 N -0.04 0.60 -0.51 3.80 3.38 -0.83 -2.00 115.31 119.71 2c54 h LEU 47 Ca 0.02 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2c54 h LEU 47 Cb 0.12 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2c54 h LEU 47 CO -0.00 0.81 0.15 0.50 0.09 0.00 0.00 178.44 179.99 2c54 h LYS 48 N 0.54 0.80 -0.07 1.13 3.64 -0.95 -2.22 116.57 119.45 2c54 h LYS 48 Ca 0.08 -0.18 0.02 0.00 -1.27 0.00 0.00 60.65 59.30 2c54 h LYS 48 Cb 0.65 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2c54 h LYS 48 CO 0.05 0.76 0.06 0.45 -2.27 0.00 0.00 179.45 178.49 2c54 h HIS 49 N 0.70 0.00 -0.04 1.91 3.86 -0.91 -0.90 115.15 119.78 2c54 h HIS 49 Ca 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2c54 h HIS 49 Cb 0.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.77 2c54 h HIS 49 CO 0.02 0.00 0.00 0.39 0.86 0.00 0.00 177.93 179.20 2c54 n GLU 50 N -4.31 1.53 0.00 2.45 1.02 -0.78 -4.92 120.64 115.63 2c54 n GLU 50 Ca -0.01 -0.78 0.00 0.00 -0.02 0.00 0.00 57.16 56.34 2c54 n GLU 50 Cb 0.16 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 2c54 n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2c54 n GLY 51 N 1.12 0.87 3.87 0.62 0.00 -0.34 -5.01 105.19 106.33 2c54 n GLY 51 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 2c54 n GLY 51 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2c54 s HIS 52 N -2.00 3.55 -0.37 1.61 3.76 -0.97 -4.75 115.29 116.13 2c54 s HIS 52 Ca 0.00 1.19 -0.17 0.00 -0.15 0.00 0.00 55.06 55.93 2c54 s HIS 52 Cb 0.00 -2.60 0.00 0.00 1.11 0.00 0.00 32.58 31.09 2c54 s HIS 52 CO 0.00 -0.45 0.46 -0.47 -0.85 0.00 0.00 174.74 173.43 2c54 s TYR 53 N -2.85 3.18 -0.23 1.40 6.14 0.27 -4.38 117.35 120.87 2c54 s TYR 53 Ca 0.54 -0.03 -0.07 0.00 0.64 0.00 0.00 57.07 58.14 2c54 s TYR 53 Cb -0.11 -2.87 -0.03 0.00 0.42 0.00 0.00 41.96 39.38 2c54 s TYR 53 CO 0.44 -0.57 0.07 0.08 0.64 0.00 0.00 175.55 176.21 2c54 s VAL 54 N 2.25 4.41 -0.46 3.14 1.01 -1.26 -0.90 120.40 128.59 2c54 s VAL 54 Ca 0.15 -0.14 -0.13 0.00 0.00 0.00 0.00 61.98 61.86 2c54 s VAL 54 Cb -0.16 -3.04 0.08 0.00 0.00 0.00 0.00 36.38 33.26 2c54 s VAL 54 CO 0.13 0.37 0.35 -0.63 0.00 0.00 0.00 175.10 175.32 2c54 s ILE 55 N 1.31 4.82 0.17 2.22 1.01 0.40 -0.53 121.20 130.60 2c54 s ILE 55 Ca 0.05 -1.24 -0.03 0.00 0.00 0.00 0.00 60.65 59.43 2c54 s ILE 55 Cb -0.15 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 2c54 s ILE 55 CO 0.03 -0.58 0.39 0.00 0.00 0.00 0.00 174.94 174.79 2c54 s ALA 56 N 1.55 3.80 0.00 9.38 0.00 0.07 -0.69 121.76 135.86 2c54 s ALA 56 Ca 0.04 -0.67 -0.19 0.00 0.00 0.00 0.00 51.96 51.14 2c54 s ALA 56 Cb -0.24 -2.08 0.04 0.00 0.00 0.00 0.00 23.12 20.83 2c54 s ALA 56 CO 0.04 0.56 0.41 -1.54 0.00 0.00 0.00 175.76 175.24 2c54 s SER 57 N -2.75 -0.30 -0.06 0.00 1.04 -0.79 -0.87 113.70 109.98 2c54 s SER 57 Ca 0.40 0.14 -0.32 0.00 0.48 0.00 0.00 55.95 56.66 2c54 s SER 57 Cb -0.12 0.39 0.13 0.00 0.10 0.00 0.00 66.02 66.52 2c54 s SER 57 CO 0.27 -0.56 1.31 -0.62 0.98 0.00 0.00 173.24 174.61 2c54 s ASP 58 N -1.59 -0.06 0.00 7.02 -1.08 -0.88 -0.36 116.67 119.73 2c54 s ASP 58 Ca -0.10 -0.09 0.25 0.00 -0.52 0.00 0.00 52.55 52.09 2c54 s ASP 58 Cb -0.03 0.13 0.31 0.00 -1.46 0.00 0.00 42.92 41.88 2c54 s ASP 58 CO 0.02 -0.23 1.32 -2.67 0.52 0.00 0.00 175.17 174.13 2c54 n TRP 59 N -0.42 0.00 -4.37 -5.34 4.27 -1.15 -1.50 117.44 108.93 2c54 n TRP 59 Ca -0.07 0.00 -0.27 0.00 -3.89 0.00 0.00 57.50 53.27 2c54 n TRP 59 Cb 0.62 -0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 30.44 2c54 n TRP 59 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 2c54 s LYS 60 N -2.04 1.34 0.58 -2.67 1.02 -1.26 -0.60 119.74 116.10 2c54 s LYS 60 Ca 0.29 -1.32 -0.15 0.00 0.02 0.00 0.00 55.97 54.81 2c54 s LYS 60 Cb 0.20 -1.75 -0.05 0.00 -0.52 0.00 0.00 37.83 35.71 2c54 s LYS 60 CO 0.33 0.41 1.02 0.15 -0.92 0.00 0.00 175.35 176.34 2c54 s LYS 61 N -2.11 3.60 0.12 1.68 1.02 -1.26 -4.26 119.74 118.53 2c54 s LYS 61 Ca 0.13 0.98 -0.30 0.00 0.02 0.00 0.00 55.97 56.79 2c54 s LYS 61 Cb -0.10 -2.08 -0.07 0.00 -0.52 0.00 0.00 37.83 35.06 2c54 s LYS 61 CO 0.06 -0.57 1.25 1.21 -0.92 0.00 0.00 175.35 176.38 2c54 s ASN 62 N -3.30 7.01 0.07 2.83 3.84 -1.25 -4.79 114.94 119.33 2c54 s ASN 62 Ca 0.59 2.19 0.24 0.00 0.21 0.00 0.00 52.86 56.10 2c54 s ASN 62 Cb -0.12 -2.59 0.34 0.00 -0.55 0.00 0.00 41.25 38.33 2c54 s ASN 62 CO 0.40 -0.49 1.30 -0.62 -2.79 0.00 0.00 177.10 174.90 2c54 n GLU 63 N 3.37 0.19 -0.00 0.43 1.02 -1.26 -4.47 120.64 119.92 2c54 n GLU 63 Ca 0.08 0.04 0.04 0.00 -0.02 0.00 0.00 57.16 57.30 2c54 n GLU 63 Cb 0.45 -1.61 -0.06 0.00 -0.02 0.00 0.00 31.44 30.20 2c54 n GLU 63 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2c54 n HIS 64 N -1.88 0.00 -4.12 -0.32 8.25 -1.26 -5.03 115.22 110.87 2c54 n HIS 64 Ca 0.04 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.35 2c54 n HIS 64 Cb 0.40 -0.15 -0.13 0.00 1.12 0.00 0.00 29.99 31.24 2c54 n HIS 64 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2c54 s MET 65 N -2.41 0.53 0.61 -0.41 -1.94 -1.26 -5.15 119.30 109.28 2c54 s MET 65 Ca -0.02 -0.57 -0.15 0.00 -1.71 0.00 0.00 55.69 53.24 2c54 s MET 65 Cb 0.05 -0.39 -0.03 0.00 2.01 0.00 0.00 34.83 36.48 2c54 s MET 65 CO 0.34 0.09 1.05 0.95 -0.01 0.00 0.00 175.02 177.44 2c54 s THR 66 N -0.92 3.89 0.17 2.05 -4.23 -1.26 -4.78 115.64 110.55 2c54 s THR 66 Ca -0.05 0.83 -0.15 0.00 -1.18 0.00 0.00 61.69 61.14 2c54 s THR 66 Cb -0.07 -3.40 0.04 0.00 1.34 0.00 0.00 72.50 70.41 2c54 s THR 66 CO 0.00 -0.59 1.79 -0.33 -0.54 0.00 0.00 174.62 174.95 2c54 h GLU 67 N 0.20 0.47 0.00 3.99 5.08 -1.95 -1.50 114.58 120.87 2c54 h GLU 67 Ca -0.46 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2c54 h GLU 67 Cb 1.22 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2c54 h GLU 67 CO 0.57 0.31 0.00 -0.25 -1.00 0.00 0.00 179.01 178.64 2c54 n ASP 68 N -4.87 0.00 0.21 1.42 8.00 -1.26 -1.23 116.55 118.82 2c54 n ASP 68 Ca 0.02 -0.18 0.06 0.00 0.71 0.00 0.00 54.79 55.41 2c54 n ASP 68 Cb 0.09 -0.22 0.48 0.00 -0.02 0.00 0.00 41.12 41.45 2c54 n ASP 68 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2c54 h MET 69 N 0.00 0.00 0.00 -1.24 2.86 -1.64 -3.39 114.93 111.52 2c54 h MET 69 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2c54 h MET 69 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2c54 h MET 69 CO 0.00 0.27 0.00 1.97 1.06 0.00 0.00 176.91 180.21 2c54 n PHE 70 N -3.93 0.00 -3.85 -0.22 -1.74 -0.57 -4.70 117.46 102.44 2c54 n PHE 70 Ca -0.02 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.78 2c54 n PHE 70 Cb 0.35 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.30 2c54 n PHE 70 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2c54 n ASP 72 N -0.31 0.14 -3.82 0.00 8.00 0.31 -4.16 116.55 116.71 2c54 n ASP 72 Ca -0.08 0.06 -0.12 0.00 0.71 0.00 0.00 54.79 55.36 2c54 n ASP 72 Cb 0.62 1.61 -0.10 0.00 -0.02 0.00 0.00 41.12 43.24 2c54 n ASP 72 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2c54 s GLU 73 N -3.35 0.49 -0.09 -1.24 2.02 -1.08 -5.03 118.70 110.42 2c54 s GLU 73 Ca -0.07 -0.16 -0.01 0.00 0.02 0.00 0.00 54.97 54.75 2c54 s GLU 73 Cb 0.12 0.21 0.03 0.00 0.10 0.00 0.00 34.13 34.59 2c54 s GLU 73 CO 0.88 -0.11 -0.04 0.12 0.02 0.00 0.00 175.26 176.13 2c54 s PHE 74 N -1.00 1.02 -0.23 1.61 2.19 -1.26 -0.75 117.98 119.56 2c54 s PHE 74 Ca -0.11 -0.41 -0.05 0.00 0.33 0.00 0.00 56.93 56.69 2c54 s PHE 74 Cb -0.05 -0.97 -0.02 0.00 -1.31 0.00 0.00 43.02 40.67 2c54 s PHE 74 CO 0.02 -0.39 -0.00 -1.01 1.83 0.00 0.00 175.22 175.67 2c54 s HIS 75 N 1.73 3.01 -0.58 10.12 3.76 -0.05 -5.00 115.29 128.28 2c54 s HIS 75 Ca 0.03 -0.71 -0.19 0.00 -0.15 0.00 0.00 55.06 54.04 2c54 s HIS 75 Cb -0.13 -2.15 0.09 0.00 1.11 0.00 0.00 32.58 31.51 2c54 s HIS 75 CO -0.06 -0.45 0.71 -0.51 -0.85 0.00 0.00 174.74 173.59 2c54 s LEU 76 N 1.46 5.24 -0.00 0.89 1.43 -1.26 -2.08 118.68 124.37 2c54 s LEU 76 Ca 0.05 -1.31 -0.06 0.00 -1.03 0.00 0.00 54.13 51.78 2c54 s LEU 76 Cb -0.15 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.74 2c54 s LEU 76 CO -0.00 -1.11 0.12 0.68 0.23 0.00 0.00 176.35 176.27 2c54 s VAL 77 N 2.80 0.08 -0.51 -1.59 -7.23 -0.56 -4.96 120.40 108.41 2c54 s VAL 77 Ca 0.13 -0.63 -0.27 0.00 -1.81 0.00 0.00 61.98 59.40 2c54 s VAL 77 Cb -0.23 -0.38 0.03 0.00 0.56 0.00 0.00 36.38 36.36 2c54 s VAL 77 CO 0.07 -0.35 1.06 -0.62 -0.31 0.00 0.00 175.10 174.96 2c54 s ASP 78 N -1.21 6.50 0.00 4.85 -1.08 -1.26 -2.94 116.67 121.53 2c54 s ASP 78 Ca -0.13 0.15 0.27 0.00 -0.52 0.00 0.00 52.55 52.32 2c54 s ASP 78 Cb -0.07 -2.50 1.58 0.00 -1.46 0.00 0.00 42.92 40.46 2c54 s ASP 78 CO 0.01 -1.25 2.02 0.18 0.52 0.00 0.00 175.17 176.65 2c54 n LEU 79 N 7.73 0.08 0.15 -1.34 4.77 -1.26 -2.35 117.00 124.80 2c54 n LEU 79 Ca 0.08 -0.03 0.13 0.00 -0.03 0.00 0.00 56.01 56.16 2c54 n LEU 79 Cb 0.49 -0.00 0.53 0.00 -2.33 0.00 0.00 43.42 42.10 2c54 n LEU 79 CO 0.68 0.02 0.88 0.03 -1.33 0.00 0.00 177.39 177.67 2c54 h ARG 80 N 0.12 0.00 -4.95 3.23 3.08 -1.89 -3.37 114.38 110.61 2c54 h ARG 80 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 2c54 h ARG 80 Cb 0.03 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 29.91 2c54 h ARG 80 CO 0.00 0.00 -0.46 0.08 -1.07 0.00 0.00 179.97 178.52 2c54 s VAL 81 N -3.38 5.28 0.23 2.04 1.01 -0.99 -4.69 120.40 119.91 2c54 s VAL 81 Ca 0.03 0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.20 2c54 s VAL 81 Cb 0.09 -3.56 0.19 0.00 0.00 0.00 0.00 36.38 33.10 2c54 s VAL 81 CO 0.41 0.23 1.74 -0.03 0.00 0.00 0.00 175.10 177.45 2c54 h MET 82 N 8.31 0.43 -0.27 2.72 4.05 -1.88 -1.17 114.93 127.11 2c54 h MET 82 Ca -0.34 -0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.10 2c54 h MET 82 Cb 1.18 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.87 2c54 h MET 82 CO 0.57 0.28 0.18 0.93 0.23 0.00 0.00 176.91 179.11 2c54 h GLU 83 N 0.44 0.14 0.05 0.39 3.07 -1.95 0.74 114.58 117.46 2c54 h GLU 83 Ca 0.37 -0.01 -0.26 0.00 -0.50 0.00 0.00 59.36 58.96 2c54 h GLU 83 Cb 0.52 -0.03 0.01 0.00 -0.84 0.00 0.00 28.75 28.42 2c54 h GLU 83 CO -0.37 0.09 -1.09 -0.91 -1.40 0.00 0.00 179.01 175.34 2c54 h ASN 84 N 0.14 0.71 -0.79 1.42 2.35 -1.52 -1.27 115.58 116.62 2c54 h ASN 84 Ca 0.12 -0.61 0.02 0.00 -0.55 0.00 0.00 56.30 55.27 2c54 h ASN 84 Cb 0.29 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 2c54 h ASN 84 CO -0.02 1.42 0.52 0.00 -1.65 0.00 0.00 177.43 177.71 2c54 h LEU 86 N 1.04 0.46 -0.55 0.00 3.38 -0.77 -2.43 115.31 116.44 2c54 h LEU 86 Ca 0.30 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.31 2c54 h LEU 86 Cb -0.06 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.50 2c54 h LEU 86 CO -0.07 0.38 0.13 0.11 0.09 0.00 0.00 178.44 179.08 2c54 h LYS 87 N 0.49 0.27 -0.01 1.13 1.57 -0.73 -1.65 116.57 117.64 2c54 h LYS 87 Ca 0.14 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2c54 h LYS 87 Cb 0.01 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2c54 h LYS 87 CO -0.02 0.18 -0.11 1.33 -0.57 0.00 0.00 179.45 180.25 2c54 n VAL 88 N -5.10 0.00 0.66 0.50 0.24 -0.82 -3.18 118.33 110.63 2c54 n VAL 88 Ca 0.07 -0.18 0.08 0.00 -2.04 0.00 0.00 64.34 62.27 2c54 n VAL 88 Cb 0.28 0.38 0.04 0.00 -1.47 0.00 0.00 33.84 33.07 2c54 n VAL 88 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2c54 n THR 89 N -0.28 0.00 -1.95 3.34 -2.24 -0.87 -4.74 114.28 107.54 2c54 n THR 89 Ca 0.16 -0.44 -0.42 0.00 -2.27 0.00 0.00 64.05 61.07 2c54 n THR 89 Cb 0.34 1.27 -0.03 0.00 -2.10 0.00 0.00 70.33 69.81 2c54 n THR 89 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2c54 s GLU 90 N -1.48 4.21 0.00 -0.78 2.56 -0.68 -2.44 118.70 120.09 2c54 s GLU 90 Ca 0.16 2.32 0.00 0.00 0.00 0.00 0.00 54.97 57.45 2c54 s GLU 90 Cb 0.13 -3.50 0.00 0.00 2.00 0.00 0.00 34.13 32.76 2c54 s GLU 90 CO 0.26 -0.69 0.00 0.41 -0.56 0.00 0.00 175.26 174.68 2c54 n GLY 91 N 3.92 0.55 3.88 -1.50 0.00 -1.26 -5.00 105.19 105.78 2c54 n GLY 91 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 2c54 n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c54 s VAL 92 N -2.42 4.97 -0.17 1.61 1.01 -1.02 -4.88 120.40 119.50 2c54 s VAL 92 Ca 0.00 0.35 -0.15 0.00 0.00 0.00 0.00 61.98 62.18 2c54 s VAL 92 Cb 0.00 -3.64 -0.11 0.00 0.00 0.00 0.00 36.38 32.63 2c54 s VAL 92 CO 0.00 -0.11 0.05 0.44 0.00 0.00 0.00 175.10 175.48 2c54 h ASP 93 N 2.41 0.00 -4.20 3.32 3.32 -1.25 -3.41 116.42 116.62 2c54 h ASP 93 Ca -0.47 -0.27 -0.49 0.00 0.02 0.00 0.00 57.03 55.82 2c54 h ASP 93 Cb 1.17 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.51 2c54 h ASP 93 CO 0.69 1.08 -0.80 -1.00 -1.72 0.00 0.00 179.24 177.49 2c54 s HIS 94 N -2.25 1.55 -0.03 4.55 3.76 -1.04 -1.28 115.29 120.55 2c54 s HIS 94 Ca -0.20 -0.46 0.05 0.00 -0.15 0.00 0.00 55.06 54.30 2c54 s HIS 94 Cb 0.03 -0.84 -0.01 0.00 1.11 0.00 0.00 32.58 32.88 2c54 s HIS 94 CO 0.39 0.16 -0.18 0.08 -0.85 0.00 0.00 174.74 174.34 2c54 s VAL 95 N -1.43 1.47 -0.28 -0.90 1.01 -0.25 -0.75 120.40 119.27 2c54 s VAL 95 Ca 0.05 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 2c54 s VAL 95 Cb -0.09 -1.24 0.05 0.00 0.00 0.00 0.00 36.38 35.09 2c54 s VAL 95 CO 0.04 0.42 -0.04 -0.36 0.00 0.00 0.00 175.10 175.16 2c54 s PHE 96 N -0.22 3.22 -0.77 5.22 0.40 0.15 -0.47 117.98 125.50 2c54 s PHE 96 Ca 0.02 -1.89 -0.15 0.00 -0.60 0.00 0.00 56.93 54.32 2c54 s PHE 96 Cb -0.09 -2.06 0.19 0.00 0.51 0.00 0.00 43.02 41.57 2c54 s PHE 96 CO 0.01 -0.80 0.73 1.21 0.70 0.00 0.00 175.22 177.06 2c54 s ASN 97 N 1.24 6.62 0.00 1.36 2.47 0.34 -1.43 114.94 125.54 2c54 s ASN 97 Ca -0.05 -2.44 0.10 0.00 0.42 0.00 0.00 52.86 50.89 2c54 s ASN 97 Cb -0.19 -2.22 0.01 0.00 -1.45 0.00 0.00 41.25 37.40 2c54 s ASN 97 CO -0.03 -0.67 0.65 0.18 -3.72 0.00 0.00 177.10 173.51 2c54 n LEU 98 N 4.43 1.29 -4.74 3.21 4.32 -1.12 -3.28 117.00 121.11 2c54 n LEU 98 Ca 0.08 -0.80 -0.42 0.00 -0.02 0.00 0.00 56.01 54.85 2c54 n LEU 98 Cb 0.45 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.23 2c54 n LEU 98 CO 0.39 0.26 1.19 0.00 -1.22 0.00 0.00 177.39 178.01 2c54 s ALA 99 N -1.24 3.71 -0.18 -1.18 0.00 -1.13 -4.67 121.76 117.07 2c54 s ALA 99 Ca 0.09 1.42 -0.30 0.00 0.00 0.00 0.00 51.96 53.17 2c54 s ALA 99 Cb 0.08 -3.61 0.13 0.00 0.00 0.00 0.00 23.12 19.73 2c54 s ALA 99 CO 0.22 -0.83 1.04 0.00 0.00 0.00 0.00 175.76 176.20 2c54 s ALA 100 N 0.32 -1.96 -0.50 0.00 0.00 -1.26 -4.86 121.76 113.50 2c54 s ALA 100 Ca 0.64 1.64 -0.22 0.00 0.00 0.00 0.00 51.96 54.02 2c54 s ALA 100 Cb -0.44 -0.85 0.04 0.00 0.00 0.00 0.00 23.12 21.86 2c54 s ALA 100 CO 0.41 -0.29 0.77 0.34 0.00 0.00 0.00 175.76 176.99 2c54 s ASP 101 N -1.01 6.31 0.34 0.00 2.15 -1.26 -5.00 116.67 118.20 2c54 s ASP 101 Ca -0.00 -0.49 -0.10 0.00 0.43 0.00 0.00 52.55 52.39 2c54 s ASP 101 Cb -0.01 -2.37 0.04 0.00 -0.30 0.00 0.00 42.92 40.29 2c54 s ASP 101 CO -0.00 -1.01 0.64 0.80 -0.17 0.00 0.00 175.17 175.43 2c54 n MET 102 N 6.76 0.92 -3.09 4.34 1.56 -1.26 -4.82 117.12 121.53 2c54 n MET 102 Ca -0.01 -2.11 0.00 0.00 -0.27 0.00 0.00 57.70 55.31 2c54 n MET 102 Cb 0.47 2.46 0.00 0.00 2.15 0.00 0.00 33.22 38.30 2c54 n MET 102 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2c54 n GLY 103 N -0.49 -0.84 0.00 -5.12 0.00 -1.26 -4.95 105.19 92.53 2c54 n GLY 103 Ca -0.06 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2c54 n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c54 n GLY 104 N 0.00 0.37 0.27 -0.02 0.00 -0.19 -4.62 105.19 101.00 2c54 n GLY 104 Ca 0.00 -1.79 0.13 0.00 0.00 0.00 0.00 46.02 44.36 2c54 n GLY 104 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2c54 h MET 105 N 0.00 0.00 0.00 1.61 2.86 -1.88 0.11 114.93 117.63 2c54 h MET 105 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2c54 h MET 105 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2c54 h MET 105 CO 0.00 0.10 0.00 0.78 1.06 0.00 0.00 176.91 178.85 2c54 h GLY 106 N 0.66 0.00 0.00 8.32 0.00 -1.84 -3.33 103.07 106.88 2c54 h GLY 106 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 2c54 h GLY 106 CO 0.01 0.00 -1.79 0.33 0.00 0.00 0.00 176.54 175.09 2c54 n PHE 107 N -2.77 0.00 -0.25 5.60 7.35 -0.24 -0.47 117.46 126.69 2c54 n PHE 107 Ca 0.00 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.68 2c54 n PHE 107 Cb 0.22 -0.51 0.19 0.00 0.35 0.00 0.00 39.48 39.73 2c54 n PHE 107 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2c54 h ILE 108 N -0.48 1.22 0.00 -2.13 1.08 -1.16 -2.93 117.51 113.11 2c54 h ILE 108 Ca -0.36 -0.48 0.00 0.00 -0.39 0.00 0.00 64.86 63.63 2c54 h ILE 108 Cb 1.32 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 2c54 h ILE 108 CO -0.21 0.23 -0.33 0.00 -0.69 0.00 0.00 178.15 177.15 2c54 n GLN 109 N -4.38 0.07 -0.11 2.37 6.02 -1.25 -3.28 117.38 116.82 2c54 n GLN 109 Ca 0.08 0.03 0.07 0.00 -0.01 0.00 0.00 57.00 57.18 2c54 n GLN 109 Cb 0.07 -1.55 0.13 0.00 1.02 0.00 0.00 30.24 29.90 2c54 n GLN 109 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2c54 n SER 110 N -1.66 2.70 -2.75 1.08 3.41 -1.12 -4.71 113.62 110.57 2c54 n SER 110 Ca 0.06 -1.80 -0.04 0.00 -0.26 0.00 0.00 58.87 56.83 2c54 n SER 110 Cb 0.36 -0.15 0.04 0.00 -0.26 0.00 0.00 64.21 64.21 2c54 n SER 110 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2c54 n ASN 111 N 0.84 1.76 0.07 4.04 3.02 -1.14 -3.57 115.26 120.28 2c54 n ASN 111 Ca 0.12 -2.30 -0.12 0.00 -0.03 0.00 0.00 54.58 52.24 2c54 n ASN 111 Cb 0.42 -0.48 -0.06 0.00 -0.61 0.00 0.00 39.78 39.04 2c54 n ASN 111 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 2c54 h HIS 112 N 2.68 -0.18 -0.01 3.10 3.86 -1.85 -1.88 115.15 120.88 2c54 h HIS 112 Ca -0.10 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.11 2c54 h HIS 112 Cb 1.26 0.07 -0.00 0.00 1.06 0.00 0.00 27.41 29.80 2c54 h HIS 112 CO 0.52 -0.11 0.00 0.77 0.86 0.00 0.00 177.93 179.97 2c54 h SER 113 N -0.16 0.01 -0.74 2.45 0.02 -1.92 -1.79 113.55 111.43 2c54 h SER 113 Ca 0.01 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 60.68 2c54 h SER 113 Cb 0.16 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 2c54 h SER 113 CO -0.03 0.22 0.22 1.62 -1.14 0.00 0.00 176.83 177.73 2c54 h VAL 114 N -0.20 1.26 -0.10 2.27 3.04 -1.74 -0.57 116.25 120.21 2c54 h VAL 114 Ca 0.00 -0.92 0.02 0.00 -1.01 0.00 0.00 66.70 64.78 2c54 h VAL 114 Cb 0.22 0.45 -0.02 0.00 -2.01 0.00 0.00 31.29 29.93 2c54 h VAL 114 CO -0.00 0.36 -0.00 0.40 -1.01 0.00 0.00 177.57 177.32 2c54 h ILE 115 N 1.11 0.93 -0.21 3.17 2.04 -1.28 -0.57 117.51 122.70 2c54 h ILE 115 Ca 0.24 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 66.07 2c54 h ILE 115 Cb 0.32 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2c54 h ILE 115 CO -0.01 0.01 0.05 -0.03 0.00 0.00 0.00 178.15 178.17 2c54 h MET 116 N 0.03 0.33 0.87 2.37 4.05 -0.95 -0.68 114.93 120.95 2c54 h MET 116 Ca 0.05 -0.08 -0.04 0.00 -0.28 0.00 0.00 59.70 59.34 2c54 h MET 116 Cb 0.05 -0.04 0.01 0.00 -0.80 0.00 0.00 31.60 30.82 2c54 h MET 116 CO -0.08 0.46 -0.42 -0.92 0.23 0.00 0.00 176.91 176.18 2c54 h TYR 117 N 0.15 -1.09 -0.51 1.39 3.20 -1.14 -2.44 116.97 116.53 2c54 h TYR 117 Ca 0.06 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.94 2c54 h TYR 117 Cb 0.28 0.36 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 2c54 h TYR 117 CO 0.01 -0.67 0.28 -0.91 -1.64 0.00 0.00 178.16 175.23 2c54 h ASN 118 N -1.27 0.42 0.39 -2.11 2.35 -1.08 -1.71 115.58 112.57 2c54 h ASN 118 Ca -0.12 0.02 -0.20 0.00 -0.55 0.00 0.00 56.30 55.44 2c54 h ASN 118 Cb 0.91 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.20 2c54 h ASN 118 CO 0.20 0.29 -0.85 0.78 -1.65 0.00 0.00 177.43 176.20 2c54 h ASN 119 N 0.55 0.43 -0.59 5.81 2.35 -1.18 -1.69 115.58 121.25 2c54 h ASN 119 Ca 0.21 -0.33 -0.07 0.00 -0.55 0.00 0.00 56.30 55.57 2c54 h ASN 119 Cb 0.08 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 2c54 h ASN 119 CO -0.13 1.10 0.11 0.74 -1.65 0.00 0.00 177.43 177.61 2c54 h THR 120 N 0.21 1.26 -0.08 2.81 2.02 -1.37 -0.69 112.91 117.06 2c54 h THR 120 Ca -0.05 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.16 2c54 h THR 120 Cb 1.47 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 2c54 h THR 120 CO 0.14 0.36 0.04 0.24 0.37 0.00 0.00 175.52 176.67 2c54 h MET 121 N 0.88 0.09 0.51 6.66 2.86 -1.07 -0.11 114.93 124.75 2c54 h MET 121 Ca 0.18 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 2c54 h MET 121 Cb 0.40 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2c54 h MET 121 CO 0.01 0.06 -0.36 0.82 1.06 0.00 0.00 176.91 178.50 2c54 h ILE 122 N 0.10 0.26 -0.43 -1.22 2.04 -1.18 -2.35 117.51 114.71 2c54 h ILE 122 Ca 0.03 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.77 2c54 h ILE 122 Cb 0.00 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 2c54 h ILE 122 CO -0.02 0.00 -0.22 0.28 0.00 0.00 0.00 178.15 178.19 2c54 h SER 123 N -0.85 0.90 -0.22 1.72 0.02 -1.00 0.19 113.55 114.31 2c54 h SER 123 Ca -0.06 -0.33 -0.11 0.00 -0.84 0.00 0.00 61.79 60.45 2c54 h SER 123 Cb 0.71 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 2c54 h SER 123 CO 0.02 1.08 -0.30 -0.26 -1.14 0.00 0.00 176.83 176.23 2c54 h PHE 124 N 0.76 0.72 0.00 3.45 -1.00 -1.09 -2.20 116.94 117.58 2c54 h PHE 124 Ca 0.10 -0.24 -0.11 0.00 2.81 0.00 0.00 57.97 60.53 2c54 h PHE 124 Cb 0.76 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 40.16 2c54 h PHE 124 CO 0.04 0.96 -0.53 -0.91 -1.61 0.00 0.00 178.31 176.26 2c54 h ASN 125 N 0.28 0.00 -0.37 2.17 2.35 -1.37 -2.29 115.58 116.35 2c54 h ASN 125 Ca 0.02 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 2c54 h ASN 125 Cb 0.88 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.23 2c54 h ASN 125 CO 0.07 0.53 0.11 0.24 -1.65 0.00 0.00 177.43 176.73 2c54 h MET 126 N 0.00 0.58 -0.37 0.81 2.86 -0.84 0.69 114.93 118.65 2c54 h MET 126 Ca -0.01 -0.13 -0.16 0.00 -2.06 0.00 0.00 59.70 57.35 2c54 h MET 126 Cb 0.97 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 2c54 h MET 126 CO 0.07 0.60 -0.38 0.97 1.06 0.00 0.00 176.91 179.23 2c54 h ILE 127 N 0.44 1.27 -0.42 -1.22 6.09 -1.32 -0.63 117.51 121.73 2c54 h ILE 127 Ca 0.12 -1.55 -0.13 0.00 -1.37 0.00 0.00 64.86 61.92 2c54 h ILE 127 Cb 0.27 1.39 -0.01 0.00 0.47 0.00 0.00 36.82 38.93 2c54 h ILE 127 CO -0.00 0.52 -0.25 -0.08 -3.07 0.00 0.00 178.15 175.27 2c54 h GLU 128 N 0.74 0.88 -0.77 2.19 4.57 -1.33 -0.48 114.58 120.38 2c54 h GLU 128 Ca 0.06 -0.38 -0.04 0.00 -1.18 0.00 0.00 59.36 57.82 2c54 h GLU 128 Cb 0.96 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.49 2c54 h GLU 128 CO 0.09 1.03 0.33 0.00 -1.18 0.00 0.00 179.01 179.28 2c54 h ALA 129 N 0.95 1.13 -0.80 2.92 0.00 -0.75 -0.72 119.26 121.99 2c54 h ALA 129 Ca 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2c54 h ALA 129 Cb 0.80 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2c54 h ALA 129 CO 0.07 0.63 0.49 0.00 0.00 0.00 0.00 179.25 180.44 2c54 h ALA 130 N 1.25 1.02 0.08 0.00 0.00 -0.75 0.14 119.26 121.01 2c54 h ALA 130 Ca 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2c54 h ALA 130 Cb 0.17 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2c54 h ALA 130 CO -0.03 0.48 -0.04 -0.09 0.00 0.00 0.00 179.25 179.58 2c54 h ARG 131 N 1.10 -0.10 -0.73 0.00 2.43 -0.55 -0.62 114.38 115.91 2c54 h ARG 131 Ca 0.29 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.54 2c54 h ARG 131 Cb -0.05 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.46 2c54 h ARG 131 CO -0.05 0.03 0.40 0.82 -1.51 0.00 0.00 179.97 179.65 2c54 h ILE 132 N -0.20 0.91 -0.20 1.20 2.04 -0.72 -2.23 117.51 118.31 2c54 h ILE 132 Ca -0.01 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2c54 h ILE 132 Cb 0.17 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2c54 h ILE 132 CO 0.02 0.13 0.00 0.59 0.00 0.00 0.00 178.15 178.88 2c54 n ASN 133 N -4.80 1.53 -1.15 1.72 3.02 0.47 -4.94 115.26 111.11 2c54 n ASN 133 Ca 0.11 -1.78 -0.08 0.00 -0.03 0.00 0.00 54.58 52.80 2c54 n ASN 133 Cb 0.23 -0.13 0.01 0.00 -0.61 0.00 0.00 39.78 39.28 2c54 n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c54 n GLY 134 N 1.06 0.13 3.76 7.41 0.00 -0.53 -4.71 105.19 112.32 2c54 n GLY 134 Ca 0.14 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 2c54 n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c54 s ILE 135 N -2.61 2.50 -0.05 -0.61 1.09 -0.36 -4.95 121.20 116.21 2c54 s ILE 135 Ca 0.07 0.47 -0.06 0.00 -1.10 0.00 0.00 60.65 60.02 2c54 s ILE 135 Cb -0.03 -3.30 -0.28 0.00 -1.06 0.00 0.00 42.46 37.79 2c54 s ILE 135 CO 0.08 0.10 0.64 0.11 -0.10 0.00 0.00 174.94 175.77 2c54 h LYS 136 N 3.94 0.29 -3.37 2.79 1.57 -1.45 -3.45 116.57 116.90 2c54 h LYS 136 Ca -0.48 -0.50 -0.18 0.00 -1.87 0.00 0.00 60.65 57.62 2c54 h LYS 136 Cb 1.23 0.19 -0.25 0.00 0.08 0.00 0.00 32.23 33.47 2c54 h LYS 136 CO 0.70 1.17 -0.52 0.50 -0.57 0.00 0.00 179.45 180.73 2c54 s ARG 137 N -2.59 0.25 -0.11 3.15 3.52 -1.22 -1.63 118.95 120.32 2c54 s ARG 137 Ca -0.15 0.10 -0.04 0.00 -0.13 0.00 0.00 55.73 55.52 2c54 s ARG 137 Cb 0.06 0.11 0.06 0.00 -1.56 0.00 0.00 34.95 33.62 2c54 s ARG 137 CO 0.83 -0.04 0.19 0.12 -0.81 0.00 0.00 175.30 175.59 2c54 s PHE 138 N -0.20 -0.23 -0.14 5.12 2.19 0.36 -1.10 117.98 123.99 2c54 s PHE 138 Ca -0.03 0.60 -0.09 0.00 0.33 0.00 0.00 56.93 57.75 2c54 s PHE 138 Cb -0.02 -0.24 -0.04 0.00 -1.31 0.00 0.00 43.02 41.40 2c54 s PHE 138 CO 0.00 -0.34 0.17 0.12 1.83 0.00 0.00 175.22 177.01 2c54 s PHE 139 N 2.32 3.54 -0.12 10.12 5.36 0.38 -0.61 117.98 138.97 2c54 s PHE 139 Ca 0.03 0.51 0.02 0.00 -0.96 0.00 0.00 56.93 56.54 2c54 s PHE 139 Cb -0.13 -2.07 0.01 0.00 -0.34 0.00 0.00 43.02 40.50 2c54 s PHE 139 CO -0.07 0.56 -0.19 -0.47 -1.46 0.00 0.00 175.22 173.59 2c54 s TYR 140 N -0.50 2.29 -0.63 10.12 5.04 0.19 -0.51 117.35 133.35 2c54 s TYR 140 Ca 0.14 -1.07 -0.28 0.00 -2.44 0.00 0.00 57.07 53.42 2c54 s TYR 140 Cb -0.12 -1.59 0.03 0.00 0.35 0.00 0.00 41.96 40.63 2c54 s TYR 140 CO 0.03 -0.50 1.21 0.00 -1.34 0.00 0.00 175.55 174.95 2c54 s ALA 141 N 0.80 2.93 0.14 3.97 0.00 -1.21 -2.22 121.76 126.17 2c54 s ALA 141 Ca -0.09 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.85 2c54 s ALA 141 Cb -0.16 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 18.87 2c54 s ALA 141 CO 0.00 -2.84 0.00 0.45 0.00 0.00 0.00 175.76 173.37 2c54 n SER 142 N 8.69 0.00 -3.74 0.00 2.88 0.15 -4.97 113.62 116.63 2c54 n SER 142 Ca 0.07 -0.63 -0.14 0.00 -1.33 0.00 0.00 58.87 56.84 2c54 n SER 142 Cb 0.49 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.86 2c54 n SER 142 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2c54 s SER 143 N -1.00 -0.25 0.64 -3.46 0.15 -1.26 -1.77 113.70 106.74 2c54 s SER 143 Ca 0.00 0.23 0.40 0.00 0.70 0.00 0.00 55.95 57.27 2c54 s SER 143 Cb 0.00 0.40 2.15 0.00 -1.71 0.00 0.00 66.02 66.86 2c54 s SER 143 CO 0.00 -0.41 2.21 0.00 1.20 0.00 0.00 173.24 176.24 2c54 h ALA 144 N 4.06 1.08 0.00 5.45 0.00 -1.37 -1.67 119.26 126.80 2c54 h ALA 144 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2c54 h ALA 144 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2c54 h ALA 144 CO 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.55 2c54 h ILE 146 N 0.00 0.67 -4.20 0.00 -0.00 -1.49 -3.38 117.51 109.11 2c54 h ILE 146 Ca 0.00 -0.69 -0.50 0.00 -0.00 0.00 0.00 64.86 63.67 2c54 h ILE 146 Cb 0.13 1.43 0.09 0.00 -0.00 0.00 0.00 36.82 38.48 2c54 h ILE 146 CO 0.00 0.16 0.38 -0.31 -0.00 0.00 0.00 178.15 178.38 2c54 s TYR 147 N -4.15 2.74 0.32 0.16 2.02 -0.81 -4.22 117.35 113.41 2c54 s TYR 147 Ca -0.02 1.54 -0.28 0.00 -0.37 0.00 0.00 57.07 57.93 2c54 s TYR 147 Cb 0.13 -3.12 -0.10 0.00 -0.40 0.00 0.00 41.96 38.47 2c54 s TYR 147 CO 0.61 -1.51 1.17 -1.25 -1.57 0.00 0.00 175.55 173.00 2c54 s PRO 148 N -4.07 4.44 0.31 -1.71 0.04 -1.26 -4.04 135.00 128.72 2c54 s PRO 148 Ca 0.66 1.92 0.04 0.00 0.04 0.00 0.00 61.00 63.66 2c54 s PRO 148 Cb -0.19 -3.04 0.66 0.00 0.04 0.00 0.00 34.50 31.97 2c54 s PRO 148 CO 0.40 -0.00 1.84 1.49 0.04 0.00 0.00 177.00 180.76 2c54 h GLU 149 N 3.44 0.85 0.00 4.56 4.81 -1.30 -1.98 114.58 124.96 2c54 h GLU 149 Ca -0.48 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2c54 h GLU 149 Cb 1.22 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.41 2c54 h GLU 149 CO 0.66 0.56 0.00 1.97 -0.73 0.00 0.00 179.01 181.47 2c54 n PHE 150 N -4.62 0.48 1.17 0.92 1.16 -1.26 -1.41 117.46 113.91 2c54 n PHE 150 Ca 0.19 0.21 0.11 0.00 -1.87 0.00 0.00 57.45 56.09 2c54 n PHE 150 Cb 0.42 -0.84 0.37 0.00 -1.61 0.00 0.00 39.48 37.82 2c54 n PHE 150 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 2c54 n LYS 151 N -1.96 1.83 -1.99 3.97 5.02 -0.74 -4.39 118.16 119.90 2c54 n LYS 151 Ca 0.01 -1.24 -0.04 0.00 -2.02 0.00 0.00 58.31 55.02 2c54 n LYS 151 Cb 0.14 -1.43 0.06 0.00 -0.02 0.00 0.00 35.03 33.78 2c54 n LYS 151 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2c54 n GLN 152 N 0.47 1.72 0.00 1.97 6.02 -0.50 -4.66 117.38 122.40 2c54 n GLN 152 Ca 0.17 -3.26 0.10 0.00 -0.01 0.00 0.00 57.00 54.00 2c54 n GLN 152 Cb 0.38 -1.37 -0.07 0.00 1.02 0.00 0.00 30.24 30.20 2c54 n GLN 152 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2c54 n LEU 153 N -0.43 1.03 -4.65 1.08 4.77 -1.25 -2.22 117.00 115.33 2c54 n LEU 153 Ca 0.17 -0.47 -0.29 0.00 -0.03 0.00 0.00 56.01 55.39 2c54 n LEU 153 Cb 0.91 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.87 2c54 n LEU 153 CO 0.10 0.25 -0.28 -1.61 -1.33 0.00 0.00 177.39 174.52 2c54 s GLU 154 N -2.96 2.02 0.00 3.23 0.41 -1.26 -4.75 118.70 115.38 2c54 s GLU 154 Ca 0.09 -2.19 0.26 0.00 -0.41 0.00 0.00 54.97 52.72 2c54 s GLU 154 Cb 0.16 -1.59 0.55 0.00 -1.78 0.00 0.00 34.13 31.48 2c54 s GLU 154 CO 0.83 -0.14 1.46 0.25 -0.49 0.00 0.00 175.26 177.16 2c54 n THR 155 N -1.04 0.00 -4.15 3.63 -2.24 -1.26 -2.47 114.28 106.75 2c54 n THR 155 Ca -0.09 -0.33 -0.13 0.00 -2.27 0.00 0.00 64.05 61.23 2c54 n THR 155 Cb 0.67 0.96 -0.11 0.00 -2.10 0.00 0.00 70.33 69.76 2c54 n THR 155 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2c54 s THR 156 N -2.12 0.76 -1.10 4.28 -4.23 -1.26 -4.78 115.64 107.20 2c54 s THR 156 Ca 0.30 -1.60 -0.03 0.00 -1.18 0.00 0.00 61.69 59.18 2c54 s THR 156 Cb 0.20 -1.28 0.00 0.00 1.34 0.00 0.00 72.50 72.77 2c54 s THR 156 CO 0.37 -0.62 0.93 0.59 -0.54 0.00 0.00 174.62 175.36 2c54 n ASN 157 N 0.59 -3.54 -0.51 3.99 3.02 -1.26 -4.91 115.26 112.63 2c54 n ASN 157 Ca -0.16 -0.51 0.06 0.00 -0.03 0.00 0.00 54.58 53.93 2c54 n ASN 157 Cb 0.58 -4.48 0.10 0.00 -0.61 0.00 0.00 39.78 35.36 2c54 n ASN 157 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2c54 n VAL 158 N -4.10 1.15 -2.16 2.41 0.24 -1.26 -4.98 118.33 109.62 2c54 n VAL 158 Ca -0.15 -1.66 -0.41 0.00 -2.04 0.00 0.00 64.34 60.08 2c54 n VAL 158 Cb 0.61 0.15 -0.03 0.00 -1.47 0.00 0.00 33.84 33.10 2c54 n VAL 158 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2c54 s SER 159 N -2.31 6.83 -0.35 -1.34 0.01 -1.26 -2.06 113.70 113.22 2c54 s SER 159 Ca 0.25 2.46 -0.05 0.00 1.31 0.00 0.00 55.95 59.92 2c54 s SER 159 Cb 0.24 -2.61 0.06 0.00 0.21 0.00 0.00 66.02 63.92 2c54 s SER 159 CO -0.03 -0.58 0.12 -0.76 0.41 0.00 0.00 173.24 172.41 2c54 s LEU 160 N -0.12 4.51 0.40 2.44 1.43 -0.35 -4.83 118.68 122.16 2c54 s LEU 160 Ca 0.58 -1.37 -0.06 0.00 -1.03 0.00 0.00 54.13 52.24 2c54 s LEU 160 Cb -0.38 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 2c54 s LEU 160 CO 0.39 -0.38 0.71 -1.59 0.23 0.00 0.00 176.35 175.70 2c54 s LYS 161 N 1.33 3.63 0.25 1.70 -2.85 -1.26 -2.49 119.74 120.06 2c54 s LYS 161 Ca -0.00 0.19 -0.05 0.00 -1.00 0.00 0.00 55.97 55.11 2c54 s LYS 161 Cb -0.21 -2.47 0.29 0.00 -2.06 0.00 0.00 37.83 33.39 2c54 s LYS 161 CO 0.01 -0.02 1.92 0.93 0.10 0.00 0.00 175.35 178.28 2c54 h GLU 162 N 0.93 1.29 0.00 1.78 3.07 -1.92 0.52 114.58 120.25 2c54 h GLU 162 Ca -0.47 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.31 2c54 h GLU 162 Cb 1.20 -0.29 0.00 0.00 -0.84 0.00 0.00 28.75 28.82 2c54 h GLU 162 CO 0.63 0.85 0.00 -1.13 -1.40 0.00 0.00 179.01 177.97 2c54 n SER 163 N -4.41 0.46 0.15 1.42 3.41 -1.26 -1.94 113.62 111.46 2c54 n SER 163 Ca 0.13 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.50 2c54 n SER 163 Cb 0.05 -0.73 0.55 0.00 -0.26 0.00 0.00 64.21 63.82 2c54 n SER 163 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2c54 n ASP 164 N -2.05 0.63 0.04 4.04 8.00 0.17 -3.24 116.55 124.16 2c54 n ASP 164 Ca 0.01 0.72 0.04 0.00 0.71 0.00 0.00 54.79 56.28 2c54 n ASP 164 Cb 0.15 -0.83 0.44 0.00 -0.02 0.00 0.00 41.12 40.86 2c54 n ASP 164 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2c54 h ALA 165 N 2.12 1.71 -3.73 2.24 0.00 -1.56 -3.39 119.26 116.65 2c54 h ALA 165 Ca 0.00 -0.05 -0.49 0.00 0.00 0.00 0.00 54.91 54.37 2c54 h ALA 165 Cb 0.17 -0.14 -0.32 0.00 0.00 0.00 0.00 17.79 17.51 2c54 h ALA 165 CO 0.00 0.25 -0.81 -1.58 0.00 0.00 0.00 179.25 177.11 2c54 s TRP 166 N -5.35 1.28 0.45 0.00 0.52 -1.20 -3.32 118.94 111.33 2c54 s TRP 166 Ca -0.08 -0.38 -0.25 0.00 0.02 0.00 0.00 56.10 55.41 2c54 s TRP 166 Cb 0.17 -0.91 -0.08 0.00 -1.15 0.00 0.00 33.47 31.50 2c54 s TRP 166 CO 0.73 -0.16 1.41 -2.14 0.02 0.00 0.00 176.95 176.80 2c54 s PRO 167 N 0.29 3.68 0.02 4.98 0.02 -1.26 -5.00 135.00 137.74 2c54 s PRO 167 Ca -0.06 2.39 -0.05 0.00 0.02 0.00 0.00 61.00 63.29 2c54 s PRO 167 Cb -0.11 -2.64 -0.05 0.00 0.02 0.00 0.00 34.50 31.72 2c54 s PRO 167 CO 0.02 -0.81 0.25 0.00 -0.33 0.00 0.00 177.00 176.13 2c54 s ALA 168 N -1.21 3.89 -0.43 -1.55 0.00 -1.21 -4.82 121.76 116.42 2c54 s ALA 168 Ca 0.61 -0.65 0.05 0.00 0.00 0.00 0.00 51.96 51.97 2c54 s ALA 168 Cb -0.43 -2.00 0.31 0.00 0.00 0.00 0.00 23.12 20.99 2c54 s ALA 168 CO 0.55 0.70 1.14 -1.91 0.00 0.00 0.00 175.76 176.23 2c54 n GLU 169 N 0.87 0.78 -1.69 0.00 2.13 -1.26 -5.02 120.64 116.45 2c54 n GLU 169 Ca -0.09 -1.62 -0.39 0.00 0.66 0.00 0.00 57.16 55.72 2c54 n GLU 169 Cb 0.52 -0.91 0.04 0.00 0.27 0.00 0.00 31.44 31.36 2c54 n GLU 169 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2c54 n PRO 170 N 0.67 1.52 0.15 5.31 -0.04 -1.26 -0.85 135.00 140.50 2c54 n PRO 170 Ca 0.04 0.56 0.01 0.00 -0.04 0.00 0.00 63.50 64.07 2c54 n PRO 170 Cb 0.70 -2.40 0.29 0.00 -0.04 0.00 0.00 33.50 32.05 2c54 n PRO 170 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2c54 h GLN 171 N 1.34 0.07 -4.93 0.54 4.15 -1.78 -3.45 115.11 111.06 2c54 h GLN 171 Ca -0.49 -0.03 -0.31 0.00 0.77 0.00 0.00 58.65 58.59 2c54 h GLN 171 Cb 1.32 -0.00 -0.15 0.00 0.21 0.00 0.00 27.48 28.86 2c54 h GLN 171 CO 0.56 0.48 -0.68 0.16 -1.93 0.00 0.00 178.83 177.42 2c54 s ASP 172 N -6.90 1.53 0.31 -0.69 1.47 -1.26 -5.04 116.67 106.09 2c54 s ASP 172 Ca -0.03 -1.10 0.03 0.00 1.18 0.00 0.00 52.55 52.62 2c54 s ASP 172 Cb 0.14 0.05 0.61 0.00 -0.34 0.00 0.00 42.92 43.37 2c54 s ASP 172 CO 0.74 -0.46 1.89 0.00 0.68 0.00 0.00 175.17 178.03 2c54 h ALA 173 N 2.72 1.59 -0.50 2.11 0.00 -1.88 -2.08 119.26 121.21 2c54 h ALA 173 Ca -0.37 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.63 2c54 h ALA 173 Cb 1.20 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.68 2c54 h ALA 173 CO 0.64 0.24 0.03 -0.92 0.00 0.00 0.00 179.25 179.24 2c54 h TYR 174 N 0.94 0.03 -0.89 0.00 3.20 -1.89 -0.11 116.97 118.25 2c54 h TYR 174 Ca 0.41 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.32 2c54 h TYR 174 Cb 0.35 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.64 2c54 h TYR 174 CO -0.00 -0.08 0.56 0.78 -1.64 0.00 0.00 178.16 177.77 2c54 h GLY 175 N 0.15 1.28 0.88 1.82 0.00 -1.56 -1.73 103.07 103.92 2c54 h GLY 175 Ca 0.25 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 2c54 h GLY 175 CO -0.39 0.50 0.01 -2.00 0.00 0.00 0.00 176.54 174.66 2c54 h LEU 176 N 1.22 0.50 -0.70 3.11 5.85 -1.12 -1.74 115.31 122.44 2c54 h LEU 176 Ca 0.32 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2c54 h LEU 176 Cb -0.08 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 2c54 h LEU 176 CO -0.06 0.68 0.37 1.05 -0.34 0.00 0.00 178.44 180.14 2c54 h GLU 177 N 0.32 0.99 -0.25 1.25 -0.00 -0.91 -0.68 114.58 115.30 2c54 h GLU 177 Ca 0.09 -0.12 0.04 0.00 -0.00 0.00 0.00 59.36 59.37 2c54 h GLU 177 Cb 0.41 -0.19 -0.04 0.00 -0.00 0.00 0.00 28.75 28.93 2c54 h GLU 177 CO 0.01 0.75 -0.00 0.00 -0.00 0.00 0.00 179.01 179.77 2c54 h ARG 178 N 0.97 0.07 -0.68 1.06 2.47 -1.25 -1.36 114.38 115.67 2c54 h ARG 178 Ca 0.25 -0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.92 2c54 h ARG 178 Cb 0.06 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.33 2c54 h ARG 178 CO -0.04 0.05 0.25 1.25 0.56 0.00 0.00 179.97 182.04 2c54 h LEU 179 N 0.08 0.95 -0.68 3.04 5.85 -0.86 -0.49 115.31 123.20 2c54 h LEU 179 Ca 0.12 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 2c54 h LEU 179 Cb 0.15 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2c54 h LEU 179 CO -0.20 0.88 0.42 0.00 -0.34 0.00 0.00 178.44 179.20 2c54 h ALA 180 N 1.11 0.86 -0.57 1.25 0.00 -1.02 -2.16 119.26 118.73 2c54 h ALA 180 Ca 0.22 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2c54 h ALA 180 Cb 0.24 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2c54 h ALA 180 CO -0.01 0.33 0.09 1.15 0.00 0.00 0.00 179.25 180.80 2c54 h THR 181 N 0.92 1.25 -0.48 0.00 2.02 -0.86 -1.20 112.91 114.56 2c54 h THR 181 Ca 0.25 -0.96 0.09 0.00 0.77 0.00 0.00 66.41 66.56 2c54 h THR 181 Cb -0.05 0.71 -0.08 0.00 -1.74 0.00 0.00 68.15 67.00 2c54 h THR 181 CO -0.05 0.35 0.01 -0.33 0.37 0.00 0.00 175.52 175.88 2c54 h GLU 182 N 0.87 0.13 -0.65 6.66 5.08 -0.52 -0.21 114.58 125.94 2c54 h GLU 182 Ca 0.18 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.44 2c54 h GLU 182 Cb 0.40 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2c54 h GLU 182 CO 0.01 0.08 0.07 0.93 -1.00 0.00 0.00 179.01 179.11 2c54 h GLU 183 N 0.13 1.11 -0.15 2.33 4.39 -1.02 -1.51 114.58 119.86 2c54 h GLU 183 Ca 0.24 -0.31 0.02 0.00 0.34 0.00 0.00 59.36 59.64 2c54 h GLU 183 Cb 0.35 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 2c54 h GLU 183 CO -0.38 1.03 0.03 1.25 -1.16 0.00 0.00 179.01 179.77 2c54 h LEU 184 N 1.02 0.00 -0.80 1.33 5.85 -0.69 -0.45 115.31 121.57 2c54 h LEU 184 Ca 0.19 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.97 2c54 h LEU 184 Cb 0.48 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 2c54 h LEU 184 CO 0.02 0.02 0.51 0.00 -0.34 0.00 0.00 178.44 178.65 2c54 h LYS 186 N 0.99 0.70 -0.58 0.00 1.57 -0.95 -1.24 116.57 117.07 2c54 h LYS 186 Ca 0.32 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.96 2c54 h LYS 186 Cb 0.02 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 2c54 h LYS 186 CO -0.12 0.46 -0.02 0.45 -0.57 0.00 0.00 179.45 179.66 2c54 h HIS 187 N 0.72 1.11 -0.94 -1.35 3.86 -0.72 -1.62 115.15 116.22 2c54 h HIS 187 Ca 0.20 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 2c54 h HIS 187 Cb -0.06 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 28.07 2c54 h HIS 187 CO -0.04 0.99 0.55 1.88 0.86 0.00 0.00 177.93 182.17 2c54 h TYR 188 N 0.93 1.25 -0.13 2.45 -1.99 -0.64 0.23 116.97 119.07 2c54 h TYR 188 Ca 0.16 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.88 2c54 h TYR 188 Cb 0.57 -0.41 -0.01 0.00 2.00 0.00 0.00 36.73 38.88 2c54 h TYR 188 CO 0.04 0.84 0.08 -0.97 -0.00 0.00 0.00 178.16 178.15 2c54 h ASN 189 N 1.30 0.15 -0.08 3.88 -0.00 -0.93 -0.04 115.58 119.86 2c54 h ASN 189 Ca 0.33 -0.04 -0.00 0.00 -0.00 0.00 0.00 56.30 56.59 2c54 h ASN 189 Cb -0.03 -0.04 -0.00 0.00 -0.00 0.00 0.00 38.32 38.25 2c54 h ASN 189 CO -0.06 0.15 0.04 0.11 -0.00 0.00 0.00 177.43 177.67 2c54 h LYS 190 N 0.14 0.12 -0.26 6.67 1.57 -0.94 -1.20 116.57 122.68 2c54 h LYS 190 Ca 0.05 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.62 2c54 h LYS 190 Cb 0.03 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2c54 h LYS 190 CO -0.01 0.23 -0.56 -0.44 -0.57 0.00 0.00 179.45 178.09 2c54 h ASP 191 N -0.01 0.94 0.00 0.86 3.32 -0.51 -3.39 116.42 117.63 2c54 h ASP 191 Ca 0.03 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.53 2c54 h ASP 191 Cb 0.15 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.42 2c54 h ASP 191 CO -0.00 1.32 0.00 0.49 -1.72 0.00 0.00 179.24 179.33 2c54 n PHE 192 N -4.03 0.00 -0.99 4.55 3.72 -0.04 -5.04 117.46 115.63 2c54 n PHE 192 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 2c54 n PHE 192 Cb 0.64 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 2c54 n PHE 192 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2c54 n GLY 193 N 0.12 0.44 3.70 1.37 0.00 -0.45 -5.00 105.19 105.37 2c54 n GLY 193 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2c54 n GLY 193 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2c54 s ILE 194 N -1.92 3.98 -0.53 -0.61 2.07 -1.25 -4.94 121.20 117.99 2c54 s ILE 194 Ca 0.00 1.39 -0.27 0.00 -1.41 0.00 0.00 60.65 60.36 2c54 s ILE 194 Cb 0.00 -3.89 0.03 0.00 0.13 0.00 0.00 42.46 38.73 2c54 s ILE 194 CO 0.00 0.06 1.06 -1.61 -1.91 0.00 0.00 174.94 172.53 2c54 s GLU 195 N 1.65 3.51 -0.03 3.50 0.41 -0.65 -3.79 118.70 123.30 2c54 s GLU 195 Ca 0.59 0.16 -0.04 0.00 -0.41 0.00 0.00 54.97 55.27 2c54 s GLU 195 Cb -0.29 -3.98 -0.04 0.00 -1.78 0.00 0.00 34.13 28.04 2c54 s GLU 195 CO 0.27 -1.47 0.18 0.00 -0.49 0.00 0.00 175.26 173.75 2c54 s ARG 197 N -1.71 0.74 -0.15 0.00 1.81 0.22 -4.61 118.95 115.26 2c54 s ARG 197 Ca 0.24 -0.12 -0.00 0.00 -1.72 0.00 0.00 55.73 54.13 2c54 s ARG 197 Cb -0.13 -0.75 0.03 0.00 -0.45 0.00 0.00 34.95 33.65 2c54 s ARG 197 CO 0.15 -0.04 -0.07 0.42 -0.68 0.00 0.00 175.30 175.08 2c54 s ILE 198 N 0.72 1.16 -0.14 1.52 1.01 -1.26 -0.64 121.20 123.57 2c54 s ILE 198 Ca -0.09 -0.53 -0.00 0.00 0.00 0.00 0.00 60.65 60.02 2c54 s ILE 198 Cb -0.13 -1.25 -0.01 0.00 0.01 0.00 0.00 42.46 41.09 2c54 s ILE 198 CO 0.00 0.25 -0.13 -0.83 0.00 0.00 0.00 174.94 174.23 2c54 s GLY 199 N 1.63 1.53 -0.59 6.18 0.00 -0.94 -1.43 107.32 113.70 2c54 s GLY 199 Ca 0.03 -0.95 -0.21 0.00 0.00 0.00 0.00 44.72 43.59 2c54 s GLY 199 CO -0.08 -0.09 0.80 0.50 0.00 0.00 0.00 173.10 174.23 2c54 s ARG 200 N 0.55 3.12 0.29 2.90 0.52 0.40 0.30 118.95 127.03 2c54 s ARG 200 Ca -0.08 -0.94 -0.29 0.00 -0.52 0.00 0.00 55.73 53.90 2c54 s ARG 200 Cb -0.16 -4.19 -0.09 0.00 0.52 0.00 0.00 34.95 31.03 2c54 s ARG 200 CO 0.04 -1.56 1.07 -0.06 0.02 0.00 0.00 175.30 174.81 2c54 s PHE 201 N 3.28 3.60 -0.35 -0.53 0.08 -0.73 -0.59 117.98 122.73 2c54 s PHE 201 Ca 0.18 1.72 -0.02 0.00 0.12 0.00 0.00 56.93 58.93 2c54 s PHE 201 Cb -0.19 -3.23 0.08 0.00 -0.57 0.00 0.00 43.02 39.11 2c54 s PHE 201 CO 0.10 -0.43 0.10 -1.01 -0.10 0.00 0.00 175.22 173.88 2c54 s HIS 202 N -1.22 3.46 -0.16 0.36 3.76 -0.82 -1.13 115.29 119.54 2c54 s HIS 202 Ca 0.45 -2.21 -0.14 0.00 -0.15 0.00 0.00 55.06 53.01 2c54 s HIS 202 Cb -0.30 -2.70 0.02 0.00 1.11 0.00 0.00 32.58 30.71 2c54 s HIS 202 CO 0.39 -0.89 0.24 -1.71 -0.85 0.00 0.00 174.74 171.92 2c54 n ASN 203 N 4.58 -2.71 -4.73 1.40 2.85 -1.26 -3.19 115.26 112.20 2c54 n ASN 203 Ca -0.07 -0.02 -0.41 0.00 -0.11 0.00 0.00 54.58 53.98 2c54 n ASN 203 Cb 0.42 -0.75 -0.04 0.00 1.24 0.00 0.00 39.78 40.65 2c54 n ASN 203 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2c54 s ILE 204 N -0.63 4.73 0.14 -1.44 -1.09 -1.26 -0.85 121.20 120.80 2c54 s ILE 204 Ca 0.14 1.80 0.01 0.00 -2.23 0.00 0.00 60.65 60.38 2c54 s ILE 204 Cb -0.01 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.62 2c54 s ILE 204 CO 0.32 0.30 -0.01 -0.72 -1.23 0.00 0.00 174.94 173.60 2c54 s TYR 205 N 0.25 1.04 -5.00 3.97 1.13 -0.44 -4.91 117.35 113.39 2c54 s TYR 205 Ca 0.43 -1.04 0.00 0.00 -1.41 0.00 0.00 57.07 55.06 2c54 s TYR 205 Cb -0.21 -0.60 0.00 0.00 -1.10 0.00 0.00 41.96 40.05 2c54 s TYR 205 CO 0.25 -0.26 0.00 0.41 -2.51 0.00 0.00 175.55 173.44 2c54 n GLY 206 N -0.15 -0.95 3.65 5.49 0.00 -1.26 -0.46 105.19 111.52 2c54 n GLY 206 Ca -0.08 -1.57 -0.44 0.00 0.00 0.00 0.00 46.02 43.93 2c54 n GLY 206 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2c54 n PRO 207 N -0.92 1.83 -0.17 1.61 -0.02 -1.26 -1.42 135.00 134.65 2c54 n PRO 207 Ca 0.00 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2c54 n PRO 207 Cb 0.00 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 2c54 n PRO 207 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2c54 n PHE 208 N 0.87 0.00 -2.34 6.00 3.72 -1.26 -5.03 117.46 119.42 2c54 n PHE 208 Ca 0.09 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.11 2c54 n PHE 208 Cb 0.33 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.85 2c54 n PHE 208 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2c54 s GLY 209 N -1.96 2.83 0.22 1.37 0.00 -0.51 -4.54 107.32 104.72 2c54 s GLY 209 Ca 0.00 0.91 -0.31 0.00 0.00 0.00 0.00 44.72 45.32 2c54 s GLY 209 CO 0.00 1.40 1.18 2.41 0.00 0.00 0.00 173.10 178.09 2c54 n THR 210 N -0.05 1.19 -0.29 0.90 -1.04 -1.26 -4.89 114.28 108.84 2c54 n THR 210 Ca 0.05 -0.30 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 2c54 n THR 210 Cb 0.47 -1.04 0.00 0.00 -1.82 0.00 0.00 70.33 67.94 2c54 n THR 210 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 2c54 n TRP 211 N 1.26 0.00 -3.97 -1.42 4.27 -1.26 -4.42 117.44 111.90 2c54 n TRP 211 Ca 0.13 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.65 2c54 n TRP 211 Cb 0.28 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.19 2c54 n TRP 211 CO 0.00 0.00 0.00 -1.59 -2.29 0.00 0.00 177.69 173.81 2c54 s LYS 212 N -0.20 1.60 0.00 -2.67 -2.85 -1.26 -4.52 119.74 109.84 2c54 s LYS 212 Ca 0.00 -1.22 0.00 0.00 -1.00 0.00 0.00 55.97 53.75 2c54 s LYS 212 Cb 0.00 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.27 2c54 s LYS 212 CO 0.00 -0.68 0.00 0.41 0.10 0.00 0.00 175.35 175.18 2c54 n GLY 213 N -0.40 1.46 0.00 0.59 0.00 -1.26 -4.47 105.19 101.11 2c54 n GLY 213 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2c54 n GLY 213 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c54 n GLY 214 N -1.67 1.26 0.26 -0.02 0.00 -1.26 -4.91 105.19 98.84 2c54 n GLY 214 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2c54 n GLY 214 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c54 n ARG 215 N 0.00 0.89 -1.86 1.61 1.74 -1.26 -3.81 116.66 113.97 2c54 n ARG 215 Ca 0.00 -0.53 -0.34 0.00 -0.77 0.00 0.00 57.85 56.21 2c54 n ARG 215 Cb 0.00 -1.49 0.04 0.00 -1.02 0.00 0.00 32.46 29.99 2c54 n ARG 215 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2c54 s GLU 216 N -2.47 2.83 0.66 5.56 1.03 -1.26 -1.02 118.70 124.02 2c54 s GLU 216 Ca 0.25 1.61 0.01 0.00 0.03 0.00 0.00 54.97 56.87 2c54 s GLU 216 Cb 0.19 -1.93 0.10 0.00 -0.80 0.00 0.00 34.13 31.69 2c54 s GLU 216 CO 0.51 -1.27 0.91 0.15 -1.33 0.00 0.00 175.26 174.23 2c54 s LYS 217 N -3.71 1.98 0.19 -4.83 1.02 -1.26 -4.00 119.74 109.13 2c54 s LYS 217 Ca 0.72 -1.13 -0.11 0.00 0.02 0.00 0.00 55.97 55.47 2c54 s LYS 217 Cb -0.25 -2.42 0.11 0.00 -0.52 0.00 0.00 37.83 34.74 2c54 s LYS 217 CO 0.37 -1.18 1.80 0.00 -0.92 0.00 0.00 175.35 175.43 2c54 h ALA 218 N -0.27 0.84 -0.09 5.17 0.00 -1.97 -1.41 119.26 121.52 2c54 h ALA 218 Ca -0.37 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.48 2c54 h ALA 218 Cb 1.28 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 2c54 h ALA 218 CO 0.43 0.35 -0.20 -1.35 0.00 0.00 0.00 179.25 178.48 2c54 h PRO 219 N 0.89 -0.27 -0.55 0.00 0.11 -1.97 0.20 132.00 130.41 2c54 h PRO 219 Ca 0.23 0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.30 2c54 h PRO 219 Cb 0.04 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 2c54 h PRO 219 CO -0.04 -0.18 0.11 0.00 -0.21 0.00 0.00 178.00 177.68 2c54 h ALA 220 N 0.69 0.72 -0.68 -0.75 0.00 -1.84 -1.48 119.26 115.92 2c54 h ALA 220 Ca 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2c54 h ALA 220 Cb 0.40 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2c54 h ALA 220 CO -0.25 0.45 0.38 0.00 0.00 0.00 0.00 179.25 179.82 2c54 h ALA 221 N 1.00 0.87 -0.46 0.00 0.00 -0.82 -0.88 119.26 118.97 2c54 h ALA 221 Ca 0.17 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2c54 h ALA 221 Cb 0.38 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2c54 h ALA 221 CO 0.01 0.38 -0.13 0.74 0.00 0.00 0.00 179.25 180.25 2c54 h PHE 222 N 0.93 1.01 -0.46 0.00 -1.00 -0.39 -0.03 116.94 116.99 2c54 h PHE 222 Ca 0.24 -0.22 -0.00 0.00 2.81 0.00 0.00 57.97 60.80 2c54 h PHE 222 Cb 0.02 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 39.31 2c54 h PHE 222 CO -0.01 0.99 0.28 0.00 -1.61 0.00 0.00 178.31 177.97 2c54 h ARG 224 N 0.62 0.13 -0.56 0.00 2.43 -0.97 -2.82 114.38 113.21 2c54 h ARG 224 Ca 0.17 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 2c54 h ARG 224 Cb -0.00 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 2c54 h ARG 224 CO -0.03 0.14 0.10 0.87 -1.51 0.00 0.00 179.97 179.54 2c54 h LYS 225 N 0.09 0.89 -0.59 0.20 1.57 -0.85 -2.38 116.57 115.50 2c54 h LYS 225 Ca 0.04 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.63 2c54 h LYS 225 Cb 0.04 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 2c54 h LYS 225 CO -0.01 0.83 0.39 0.00 -0.57 0.00 0.00 179.45 180.09 2c54 h ALA 226 N 1.26 1.65 0.00 3.86 0.00 -0.85 -1.37 119.26 123.81 2c54 h ALA 226 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2c54 h ALA 226 Cb 0.37 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2c54 h ALA 226 CO 0.01 0.29 -0.58 1.96 0.00 0.00 0.00 179.25 180.93 2c54 h GLN 227 N 0.73 0.00 0.00 0.00 4.20 -1.19 -3.39 115.11 115.47 2c54 h GLN 227 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 2c54 h GLN 227 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2c54 h GLN 227 CO -0.06 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.35 2c54 n THR 228 N -2.33 0.00 -2.74 -0.54 -2.24 -0.99 -5.07 114.28 100.37 2c54 n THR 228 Ca 0.03 -0.34 -0.33 0.00 -2.27 0.00 0.00 64.05 61.15 2c54 n THR 228 Cb 0.47 1.31 -0.06 0.00 -2.10 0.00 0.00 70.33 69.95 2c54 n THR 228 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2c54 s SER 229 N -0.03 6.81 -0.21 3.42 0.01 -0.54 -4.37 113.70 118.79 2c54 s SER 229 Ca 0.00 1.59 -0.16 0.00 1.31 0.00 0.00 55.95 58.69 2c54 s SER 229 Cb 0.00 -2.50 -0.08 0.00 0.21 0.00 0.00 66.02 63.64 2c54 s SER 229 CO 0.00 -0.41 -0.35 0.35 0.41 0.00 0.00 173.24 173.25 2c54 n THR 230 N -0.90 1.50 -0.03 1.44 -2.24 -1.26 -4.86 114.28 107.93 2c54 n THR 230 Ca 0.06 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2c54 n THR 230 Cb 0.54 -2.15 -0.08 0.00 -2.10 0.00 0.00 70.33 66.54 2c54 n THR 230 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2c54 n ASP 231 N -4.35 2.46 -3.51 3.42 8.00 -1.26 -5.07 116.55 116.24 2c54 n ASP 231 Ca -0.30 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.06 2c54 n ASP 231 Cb 0.66 1.12 -0.04 0.00 -0.02 0.00 0.00 41.12 42.84 2c54 n ASP 231 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2c54 s ARG 232 N -2.51 0.99 -0.39 -1.24 1.70 -1.26 -4.42 118.95 111.82 2c54 s ARG 232 Ca -0.05 0.01 -0.16 0.00 -0.47 0.00 0.00 55.73 55.06 2c54 s ARG 232 Cb 0.05 0.46 0.01 0.00 -0.57 0.00 0.00 34.95 34.90 2c54 s ARG 232 CO 0.44 -0.36 0.37 0.12 -1.08 0.00 0.00 175.30 174.79 2c54 s PHE 233 N -1.98 3.20 0.10 5.89 2.19 0.14 -4.84 117.98 122.69 2c54 s PHE 233 Ca -0.05 -0.35 -0.29 0.00 0.33 0.00 0.00 56.93 56.57 2c54 s PHE 233 Cb -0.00 -2.73 -0.06 0.00 -1.31 0.00 0.00 43.02 38.92 2c54 s PHE 233 CO 0.01 -0.59 0.94 -1.21 1.83 0.00 0.00 175.22 176.20 2c54 s GLU 234 N 1.95 4.67 -0.03 10.12 2.02 -1.26 -0.38 118.70 135.79 2c54 s GLU 234 Ca 0.09 1.41 0.01 0.00 0.02 0.00 0.00 54.97 56.50 2c54 s GLU 234 Cb -0.18 -3.38 0.02 0.00 0.10 0.00 0.00 34.13 30.70 2c54 s GLU 234 CO 0.12 0.21 -0.01 1.41 0.02 0.00 0.00 175.26 177.01 2c54 s MET 235 N 0.03 0.39 0.17 1.61 1.75 -0.18 -4.93 119.30 118.13 2c54 s MET 235 Ca 0.46 0.01 -0.31 0.00 -1.25 0.00 0.00 55.69 54.60 2c54 s MET 235 Cb -0.23 -0.50 -0.09 0.00 2.84 0.00 0.00 34.83 36.85 2c54 s MET 235 CO 0.29 -0.09 1.40 -1.58 -0.65 0.00 0.00 175.02 174.39 2c54 s TRP 236 N 0.79 3.18 0.00 4.11 0.51 -1.26 -0.91 118.94 125.36 2c54 s TRP 236 Ca -0.08 1.00 0.00 0.00 -2.12 0.00 0.00 56.10 54.90 2c54 s TRP 236 Cb -0.12 -3.72 0.00 0.00 -0.81 0.00 0.00 33.47 28.83 2c54 s TRP 236 CO -0.01 -2.42 0.00 0.41 -0.51 0.00 0.00 176.95 174.42 2c54 n GLY 237 N 2.94 -0.90 0.00 0.98 0.00 -0.49 -4.45 105.19 103.27 2c54 n GLY 237 Ca 0.09 -1.67 0.12 0.00 0.00 0.00 0.00 46.02 44.56 2c54 n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2c54 n ASP 238 N -1.15 0.00 0.00 1.61 5.68 -1.26 -4.25 116.55 117.17 2c54 n ASP 238 Ca 0.00 0.20 0.00 0.00 -0.50 0.00 0.00 54.79 54.49 2c54 n ASP 238 Cb 0.00 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.59 2c54 n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2c54 n GLY 239 N 0.93 1.14 0.11 6.12 0.00 -1.26 -4.87 105.19 107.36 2c54 n GLY 239 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 2c54 n GLY 239 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2c54 h LEU 240 N 0.00 0.00 -9.93 0.99 3.38 -1.95 -0.25 115.31 107.54 2c54 h LEU 240 Ca 0.00 -0.08 -0.55 0.00 0.09 0.00 0.00 57.88 57.33 2c54 h LEU 240 Cb 0.00 0.00 0.13 0.00 0.09 0.00 0.00 40.66 40.88 2c54 h LEU 240 CO 0.00 0.04 0.59 0.00 0.09 0.00 0.00 178.44 179.16 2c54 n GLN 241 N -2.49 2.00 -4.39 1.13 0.00 -1.26 -4.69 117.38 107.67 2c54 n GLN 241 Ca 0.03 0.72 -0.27 0.00 0.00 0.00 0.00 57.00 57.47 2c54 n GLN 241 Cb 0.49 -2.52 -0.12 0.00 0.00 0.00 0.00 30.24 28.09 2c54 n GLN 241 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2c54 s THR 242 N -1.22 2.47 0.22 -0.39 -4.23 -0.61 -1.64 115.64 110.24 2c54 s THR 242 Ca 0.63 -1.90 -0.13 0.00 -1.18 0.00 0.00 61.69 59.12 2c54 s THR 242 Cb -0.46 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.21 2c54 s THR 242 CO 0.56 -0.06 0.44 -0.13 -0.54 0.00 0.00 174.62 174.89 2c54 s ARG 243 N -2.54 1.43 0.18 3.99 1.81 -0.50 -2.01 118.95 121.32 2c54 s ARG 243 Ca 0.20 -1.16 0.11 0.00 -1.72 0.00 0.00 55.73 53.16 2c54 s ARG 243 Cb -0.09 0.46 -0.04 0.00 -0.45 0.00 0.00 34.95 34.83 2c54 s ARG 243 CO 0.10 -0.58 -0.24 -1.54 -0.68 0.00 0.00 175.30 172.36 2c54 s SER 244 N -2.98 3.47 -0.00 0.23 1.04 -1.23 -0.80 113.70 113.43 2c54 s SER 244 Ca 0.19 -0.83 0.03 0.00 0.48 0.00 0.00 55.95 55.82 2c54 s SER 244 Cb 0.00 -0.28 -0.01 0.00 0.10 0.00 0.00 66.02 65.83 2c54 s SER 244 CO 0.05 0.13 -0.09 -0.36 0.98 0.00 0.00 173.24 173.94 2c54 s PHE 245 N -1.58 0.83 -0.17 5.02 0.08 -1.26 -4.36 117.98 116.54 2c54 s PHE 245 Ca 0.20 -0.17 0.01 0.00 0.12 0.00 0.00 56.93 57.09 2c54 s PHE 245 Cb -0.08 -0.53 0.01 0.00 -0.57 0.00 0.00 43.02 41.85 2c54 s PHE 245 CO 0.10 -0.01 -0.19 0.99 -0.10 0.00 0.00 175.22 176.01 2c54 s THR 246 N -0.28 2.24 0.32 0.64 2.01 -0.03 -4.51 115.64 116.03 2c54 s THR 246 Ca 0.03 -0.89 -0.29 0.00 0.31 0.00 0.00 61.69 60.85 2c54 s THR 246 Cb -0.04 -1.94 -0.10 0.00 0.01 0.00 0.00 72.50 70.43 2c54 s THR 246 CO -0.00 0.53 1.24 0.12 -0.69 0.00 0.00 174.62 175.81 2c54 s PHE 247 N 1.13 3.21 0.25 4.92 5.36 -1.26 -1.33 117.98 130.27 2c54 s PHE 247 Ca 0.01 1.51 -0.07 0.00 -0.96 0.00 0.00 56.93 57.42 2c54 s PHE 247 Cb -0.14 -3.55 0.45 0.00 -0.34 0.00 0.00 43.02 39.44 2c54 s PHE 247 CO -0.08 -1.43 1.63 0.97 -1.46 0.00 0.00 175.22 174.85 2c54 h ILE 248 N 3.03 0.33 -0.37 3.12 6.09 -1.14 -1.11 117.51 127.46 2c54 h ILE 248 Ca -0.48 -0.03 -0.03 0.00 -1.37 0.00 0.00 64.86 62.94 2c54 h ILE 248 Cb 1.22 0.22 -0.02 0.00 0.47 0.00 0.00 36.82 38.71 2c54 h ILE 248 CO 0.66 0.02 0.08 0.44 -3.07 0.00 0.00 178.15 176.28 2c54 h ASP 249 N 0.10 0.49 -0.06 2.19 5.19 -1.91 -0.34 116.42 122.08 2c54 h ASP 249 Ca 0.42 -0.07 -0.21 0.00 -0.62 0.00 0.00 57.03 56.55 2c54 h ASP 249 Cb 0.74 -0.13 0.01 0.00 0.18 0.00 0.00 39.33 40.13 2c54 h ASP 249 CO -0.68 0.50 -0.76 -0.33 -3.12 0.00 0.00 179.24 174.85 2c54 h GLU 250 N 0.53 0.71 -0.37 3.56 5.08 -1.62 -1.90 114.58 120.57 2c54 h GLU 250 Ca 0.12 -0.58 0.07 0.00 -1.00 0.00 0.00 59.36 57.98 2c54 h GLU 250 Cb 0.21 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 2c54 h GLU 250 CO -0.00 1.19 -0.03 0.00 -1.00 0.00 0.00 179.01 179.17 2c54 h VAL 252 N 0.07 0.91 -0.57 0.00 2.07 -1.03 0.58 116.25 118.27 2c54 h VAL 252 Ca 0.18 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.78 2c54 h VAL 252 Cb 0.26 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 2c54 h VAL 252 CO -0.33 0.00 0.22 -0.08 0.02 0.00 0.00 177.57 177.40 2c54 h GLU 253 N -0.05 0.41 -0.63 1.57 4.57 -1.13 -1.35 114.58 117.96 2c54 h GLU 253 Ca 0.02 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2c54 h GLU 253 Cb 0.08 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 2c54 h GLU 253 CO -0.05 0.27 0.33 0.78 -1.18 0.00 0.00 179.01 179.16 2c54 h GLY 254 N 0.42 0.95 0.71 1.92 0.00 -0.70 -0.12 103.07 106.25 2c54 h GLY 254 Ca 0.28 -0.45 0.05 0.00 0.00 0.00 0.00 47.33 47.21 2c54 h GLY 254 CO -0.27 0.43 0.32 -2.08 0.00 0.00 0.00 176.54 174.95 2c54 h VAL 255 N 0.86 0.97 -0.24 4.60 2.07 -0.37 0.04 116.25 124.17 2c54 h VAL 255 Ca 0.22 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 2c54 h VAL 255 Cb 0.08 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 2c54 h VAL 255 CO -0.03 0.11 -0.17 -0.07 0.02 0.00 0.00 177.57 177.43 2c54 h LEU 256 N 0.61 0.57 -0.63 2.57 3.38 -0.98 0.53 115.31 121.36 2c54 h LEU 256 Ca 0.26 -0.44 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 2c54 h LEU 256 Cb 0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2c54 h LEU 256 CO -0.17 0.89 0.02 0.03 0.09 0.00 0.00 178.44 179.30 2c54 h ARG 257 N 0.26 1.09 -0.33 1.13 3.08 -0.89 -1.78 114.38 116.93 2c54 h ARG 257 Ca 0.05 -0.34 -0.09 0.00 0.07 0.00 0.00 59.98 59.67 2c54 h ARG 257 Cb 0.70 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 2c54 h ARG 257 CO 0.05 1.05 -0.14 1.25 -1.07 0.00 0.00 179.97 181.11 2c54 h LEU 258 N 0.99 0.70 -0.90 3.04 5.85 -0.92 -3.02 115.31 121.05 2c54 h LEU 258 Ca 0.18 -0.39 -0.11 0.00 0.84 0.00 0.00 57.88 58.40 2c54 h LEU 258 Cb 0.54 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2c54 h LEU 258 CO 0.03 0.94 -0.35 0.74 -0.34 0.00 0.00 178.44 179.45 2c54 h THR 259 N 0.46 1.29 0.00 1.05 2.02 -0.76 -2.45 112.91 114.51 2c54 h THR 259 Ca 0.08 -1.43 0.00 0.00 0.77 0.00 0.00 66.41 65.83 2c54 h THR 259 Cb 0.66 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 2c54 h THR 259 CO 0.04 0.44 -0.15 2.29 0.37 0.00 0.00 175.52 178.51 2c54 n LYS 260 N -4.06 0.02 -1.12 6.66 2.85 -0.68 -4.85 118.16 116.98 2c54 n LYS 260 Ca -0.01 0.01 -0.29 0.00 -1.05 0.00 0.00 58.31 56.97 2c54 n LYS 260 Cb 0.46 -1.52 0.21 0.00 -0.65 0.00 0.00 35.03 33.52 2c54 n LYS 260 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2c54 s SER 261 N -3.12 1.76 -0.05 -5.58 1.04 -0.92 -4.98 113.70 101.84 2c54 s SER 261 Ca 0.13 0.92 0.20 0.00 0.48 0.00 0.00 55.95 57.68 2c54 s SER 261 Cb 0.18 -1.39 0.65 0.00 0.10 0.00 0.00 66.02 65.56 2c54 s SER 261 CO 0.58 -3.64 1.55 -0.90 0.98 0.00 0.00 173.24 171.82 2c54 n ASP 262 N -4.48 4.12 -4.63 7.02 5.68 -1.26 -4.95 116.55 118.05 2c54 n ASP 262 Ca 0.09 -2.18 -0.40 0.00 -0.50 0.00 0.00 54.79 51.80 2c54 n ASP 262 Cb 0.58 -0.51 -0.07 0.00 -1.14 0.00 0.00 41.12 39.98 2c54 n ASP 262 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2c54 s PHE 263 N -1.38 3.30 -2.13 2.11 5.36 -1.26 -4.95 117.98 119.02 2c54 s PHE 263 Ca 0.48 0.74 0.22 0.00 -0.96 0.00 0.00 56.93 57.41 2c54 s PHE 263 Cb 0.28 -2.76 0.02 0.00 -0.34 0.00 0.00 43.02 40.22 2c54 s PHE 263 CO 0.29 -0.26 1.10 0.54 -1.46 0.00 0.00 175.22 175.43 2c54 n ARG 264 N 5.43 1.38 -3.72 10.12 1.74 -1.26 -4.79 116.66 125.56 2c54 n ARG 264 Ca -0.03 -1.12 -0.20 0.00 -0.77 0.00 0.00 57.85 55.74 2c54 n ARG 264 Cb 0.50 -1.46 -0.02 0.00 -1.02 0.00 0.00 32.46 30.46 2c54 n ARG 264 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2c54 s GLU 265 N -2.38 3.18 0.38 5.56 0.41 -1.26 -4.73 118.70 119.86 2c54 s GLU 265 Ca 0.19 -0.95 -0.28 0.00 -0.41 0.00 0.00 54.97 53.52 2c54 s GLU 265 Cb 0.18 -2.80 -0.10 0.00 -1.78 0.00 0.00 34.13 29.63 2c54 s GLU 265 CO 0.53 0.22 1.42 -2.14 -0.49 0.00 0.00 175.26 174.79 2c54 s PRO 266 N -4.07 4.10 -0.02 0.39 0.02 -1.26 -4.50 135.00 129.66 2c54 s PRO 266 Ca 0.40 2.43 0.02 0.00 0.02 0.00 0.00 61.00 63.87 2c54 s PRO 266 Cb -0.09 -2.93 0.00 0.00 0.02 0.00 0.00 34.50 31.50 2c54 s PRO 266 CO 0.30 -0.49 -0.06 0.54 -0.33 0.00 0.00 177.00 176.96 2c54 s VAL 267 N -1.15 0.55 0.23 3.83 0.11 -0.51 -4.94 120.40 118.52 2c54 s VAL 267 Ca 0.53 -0.24 -0.31 0.00 -2.93 0.00 0.00 61.98 59.03 2c54 s VAL 267 Cb -0.44 -0.50 -0.12 0.00 -1.53 0.00 0.00 36.38 33.79 2c54 s VAL 267 CO 0.59 0.18 1.68 0.20 -3.33 0.00 0.00 175.10 174.42 2c54 s ASN 268 N 0.23 6.38 -0.48 3.54 0.01 -1.26 -0.45 114.94 122.91 2c54 s ASN 268 Ca -0.03 2.89 0.00 0.00 -0.71 0.00 0.00 52.86 55.01 2c54 s ASN 268 Cb -0.07 -2.61 0.13 0.00 0.41 0.00 0.00 41.25 39.11 2c54 s ASN 268 CO -0.00 -0.95 0.25 -0.63 -1.51 0.00 0.00 177.10 174.26 2c54 s ILE 269 N 0.85 3.05 -0.18 0.60 -1.09 0.24 -4.77 121.20 119.90 2c54 s ILE 269 Ca 0.71 -2.65 -0.29 0.00 -2.23 0.00 0.00 60.65 56.20 2c54 s ILE 269 Cb -0.49 -3.09 0.12 0.00 -1.58 0.00 0.00 42.46 37.42 2c54 s ILE 269 CO 0.36 -0.75 0.96 -0.83 -1.23 0.00 0.00 174.94 173.46 2c54 s GLY 270 N 0.85 -0.28 0.54 6.18 0.00 -1.26 -1.94 107.32 111.41 2c54 s GLY 270 Ca 0.13 2.11 -0.22 0.00 0.00 0.00 0.00 44.72 46.74 2c54 s GLY 270 CO -0.04 1.23 1.30 -1.26 0.00 0.00 0.00 173.10 174.33 2c54 n SER 271 N 1.14 2.42 -0.96 1.64 2.88 -1.26 -4.50 113.62 114.99 2c54 n SER 271 Ca -0.12 0.97 0.08 0.00 -1.33 0.00 0.00 58.87 58.47 2c54 n SER 271 Cb 0.57 -1.55 0.27 0.00 -0.75 0.00 0.00 64.21 62.75 2c54 n SER 271 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2c54 n ASP 272 N -0.87 3.98 -4.43 -3.46 5.68 -1.26 -3.33 116.55 112.86 2c54 n ASP 272 Ca 0.11 -2.96 -0.44 0.00 -0.50 0.00 0.00 54.79 51.00 2c54 n ASP 272 Cb 0.44 -0.54 -0.05 0.00 -1.14 0.00 0.00 41.12 39.84 2c54 n ASP 272 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 2c54 s GLU 273 N -2.73 3.12 -0.11 0.11 2.12 -1.26 -4.87 118.70 115.08 2c54 s GLU 273 Ca 0.42 -0.93 -0.18 0.00 0.36 0.00 0.00 54.97 54.64 2c54 s GLU 273 Cb 0.34 -4.19 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 2c54 s GLU 273 CO 0.10 -1.54 0.48 1.41 -0.54 0.00 0.00 175.26 175.17 2c54 s MET 274 N 3.26 4.34 0.07 4.30 -2.45 -1.26 -4.36 119.30 123.20 2c54 s MET 274 Ca 0.18 0.46 0.05 0.00 -1.25 0.00 0.00 55.69 55.14 2c54 s MET 274 Cb -0.19 -3.43 -0.03 0.00 1.25 0.00 0.00 34.83 32.42 2c54 s MET 274 CO 0.10 0.16 -0.15 0.14 1.05 0.00 0.00 175.02 176.33 2c54 s VAL 275 N 0.60 1.16 0.68 10.11 -7.23 0.02 -4.96 120.40 120.79 2c54 s VAL 275 Ca 0.26 -1.33 -0.11 0.00 -1.81 0.00 0.00 61.98 58.99 2c54 s VAL 275 Cb -0.15 -1.12 -0.00 0.00 0.56 0.00 0.00 36.38 35.67 2c54 s VAL 275 CO 0.11 -0.21 1.06 -0.94 -0.31 0.00 0.00 175.10 174.80 2c54 s SER 276 N -1.76 5.48 0.30 4.85 1.04 -1.26 -1.41 113.70 120.94 2c54 s SER 276 Ca -0.01 1.63 -0.01 0.00 0.48 0.00 0.00 55.95 58.04 2c54 s SER 276 Cb -0.10 -2.50 0.46 0.00 0.10 0.00 0.00 66.02 63.99 2c54 s SER 276 CO 0.02 -1.38 1.93 0.24 0.98 0.00 0.00 173.24 175.04 2c54 h MET 277 N -0.55 0.96 -0.46 4.02 0.00 -0.71 -1.16 114.93 117.03 2c54 h MET 277 Ca -0.44 -0.10 -0.05 0.00 0.00 0.00 0.00 59.70 59.11 2c54 h MET 277 Cb 1.21 -0.20 -0.02 0.00 0.00 0.00 0.00 31.60 32.59 2c54 h MET 277 CO 0.57 0.70 0.07 -0.91 0.00 0.00 0.00 176.91 177.35 2c54 h ASN 278 N 0.97 0.67 -0.51 1.22 2.35 -1.36 -0.23 115.58 118.69 2c54 h ASN 278 Ca 0.25 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 2c54 h ASN 278 Cb 0.01 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 2c54 h ASN 278 CO -0.04 0.69 0.17 -0.33 -1.65 0.00 0.00 177.43 176.27 2c54 h GLU 279 N 0.69 0.79 -0.72 0.81 5.08 -1.66 -1.21 114.58 118.36 2c54 h GLU 279 Ca 0.15 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2c54 h GLU 279 Cb 0.32 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2c54 h GLU 279 CO 0.00 0.72 0.20 1.98 -1.00 0.00 0.00 179.01 180.91 2c54 h MET 280 N 0.69 1.13 -0.67 2.33 4.05 -0.86 -1.66 114.93 119.96 2c54 h MET 280 Ca 0.17 -0.26 -0.01 0.00 -0.28 0.00 0.00 59.70 59.32 2c54 h MET 280 Cb 0.26 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 30.87 2c54 h MET 280 CO -0.01 0.99 0.38 0.00 0.23 0.00 0.00 176.91 178.49 2c54 h ALA 281 N 1.10 0.85 -0.72 0.39 0.00 -0.80 -1.02 119.26 119.06 2c54 h ALA 281 Ca 0.23 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2c54 h ALA 281 Cb 0.34 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2c54 h ALA 281 CO -0.00 0.35 0.37 1.49 0.00 0.00 0.00 179.25 181.47 2c54 h GLU 282 N 0.91 1.00 -0.24 0.00 4.81 -0.79 -0.38 114.58 119.89 2c54 h GLU 282 Ca 0.24 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2c54 h GLU 282 Cb 0.02 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 2c54 h GLU 282 CO -0.04 0.75 0.09 0.52 -0.73 0.00 0.00 179.01 179.60 2c54 h MET 283 N 1.01 0.36 -0.59 1.92 2.86 -0.74 -1.96 114.93 117.78 2c54 h MET 283 Ca 0.25 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.75 2c54 h MET 283 Cb 0.05 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2c54 h MET 283 CO -0.04 0.41 0.07 0.28 1.06 0.00 0.00 176.91 178.69 2c54 h VAL 284 N 0.23 1.26 0.00 -2.22 2.07 -0.74 -2.22 116.25 114.63 2c54 h VAL 284 Ca 0.08 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 2c54 h VAL 284 Cb 0.19 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2c54 h VAL 284 CO -0.01 0.38 -0.09 -0.07 0.02 0.00 0.00 177.57 177.80 2c54 h LEU 285 N 0.90 0.00 -1.01 2.57 3.38 -1.02 -2.96 115.31 117.16 2c54 h LEU 285 Ca 0.18 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 2c54 h LEU 285 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2c54 h LEU 285 CO 0.02 0.09 -0.27 0.77 0.09 0.00 0.00 178.44 179.14 2c54 h SER 286 N 0.00 0.00 -0.45 -0.43 4.64 -0.70 0.16 113.55 116.78 2c54 h SER 286 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2c54 h SER 286 Cb 0.43 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 2c54 h SER 286 CO 0.01 0.27 0.14 -0.26 -0.87 0.00 0.00 176.83 176.12 2c54 h PHE 287 N 0.00 0.78 -0.06 4.77 0.04 -1.56 -1.68 116.94 119.23 2c54 h PHE 287 Ca -0.00 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 2c54 h PHE 287 Cb 0.81 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 2c54 h PHE 287 CO 0.00 0.65 -0.15 0.39 -0.60 0.00 0.00 178.31 178.60 2c54 n GLU 288 N -4.30 1.60 -3.99 1.51 1.02 -1.25 -4.97 120.64 110.26 2c54 n GLU 288 Ca 0.04 -2.88 -0.29 0.00 -0.02 0.00 0.00 57.16 54.00 2c54 n GLU 288 Cb 0.21 -1.60 -0.00 0.00 -0.02 0.00 0.00 31.44 30.03 2c54 n GLU 288 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2c54 n GLU 289 N -1.22 -4.13 -2.53 3.49 1.02 -0.63 -4.92 120.64 111.71 2c54 n GLU 289 Ca 0.19 0.48 -0.40 0.00 -0.02 0.00 0.00 57.16 57.41 2c54 n GLU 289 Cb 0.72 -5.06 -0.05 0.00 -0.02 0.00 0.00 31.44 27.03 2c54 n GLU 289 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2c54 s LYS 290 N -6.61 4.61 -0.32 3.49 -0.14 0.56 -5.00 119.74 116.34 2c54 s LYS 290 Ca 0.41 1.71 0.02 0.00 -1.36 0.00 0.00 55.97 56.75 2c54 s LYS 290 Cb -0.22 -3.11 0.10 0.00 -1.68 0.00 0.00 37.83 32.92 2c54 s LYS 290 CO 0.87 0.22 0.06 0.15 -0.76 0.00 0.00 175.35 175.89 2c54 s LYS 291 N -1.55 1.17 0.02 1.68 -0.14 -1.26 -4.64 119.74 115.02 2c54 s LYS 291 Ca 0.46 -1.45 0.02 0.00 -1.36 0.00 0.00 55.97 53.63 2c54 s LYS 291 Cb -0.30 -2.63 -0.01 0.00 -1.68 0.00 0.00 37.83 33.21 2c54 s LYS 291 CO 0.38 -0.93 -0.06 -0.51 -0.76 0.00 0.00 175.35 173.47 2c54 s LEU 292 N 1.25 2.11 0.47 3.17 1.43 -1.26 -5.08 118.68 120.78 2c54 s LEU 292 Ca 0.09 -0.29 -0.20 0.00 -1.03 0.00 0.00 54.13 52.70 2c54 s LEU 292 Cb -0.18 -0.24 -0.09 0.00 0.03 0.00 0.00 46.19 45.71 2c54 s LEU 292 CO -0.15 -0.04 1.01 -2.16 0.23 0.00 0.00 176.35 175.23 2c54 s PRO 293 N -0.73 3.94 -0.18 1.29 0.04 -1.26 -4.79 135.00 133.30 2c54 s PRO 293 Ca -0.03 1.27 -0.19 0.00 0.04 0.00 0.00 61.00 62.09 2c54 s PRO 293 Cb -0.05 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 2c54 s PRO 293 CO 0.00 -0.30 0.54 0.42 0.04 0.00 0.00 177.00 177.69 2c54 s ILE 294 N -2.07 5.10 -0.35 0.56 -1.09 -1.26 -0.68 121.20 121.42 2c54 s ILE 294 Ca 0.65 1.01 -0.10 0.00 -2.23 0.00 0.00 60.65 59.98 2c54 s ILE 294 Cb -0.14 -3.86 0.02 0.00 -1.58 0.00 0.00 42.46 36.90 2c54 s ILE 294 CO 0.18 0.19 0.18 -2.28 -1.23 0.00 0.00 174.94 171.99 2c54 s HIS 295 N 1.48 3.22 -0.14 3.97 5.65 0.49 -4.91 115.29 125.05 2c54 s HIS 295 Ca 0.26 -0.89 -0.21 0.00 0.25 0.00 0.00 55.06 54.46 2c54 s HIS 295 Cb -0.15 -2.40 -0.03 0.00 -1.18 0.00 0.00 32.58 28.81 2c54 s HIS 295 CO 0.10 -0.60 0.61 -1.01 -0.65 0.00 0.00 174.74 173.19 2c54 s HIS 296 N 1.56 3.46 0.10 3.88 3.76 -1.26 -1.01 115.29 125.78 2c54 s HIS 296 Ca 0.02 1.00 0.02 0.00 -0.15 0.00 0.00 55.06 55.96 2c54 s HIS 296 Cb -0.19 -2.75 -0.04 0.00 1.11 0.00 0.00 32.58 30.72 2c54 s HIS 296 CO 0.06 -0.03 -0.07 0.96 -0.85 0.00 0.00 174.74 174.82 2c54 s ILE 297 N 1.33 0.73 0.45 0.60 -4.36 -0.09 -4.95 121.20 114.91 2c54 s ILE 297 Ca 0.30 -1.95 -0.24 0.00 -0.26 0.00 0.00 60.65 58.50 2c54 s ILE 297 Cb -0.16 -1.71 -0.08 0.00 1.25 0.00 0.00 42.46 41.77 2c54 s ILE 297 CO 0.12 -0.85 1.28 -2.84 0.24 0.00 0.00 174.94 172.89 2c54 s PRO 298 N -3.83 3.75 0.09 0.37 0.02 -1.26 -1.40 135.00 132.75 2c54 s PRO 298 Ca 0.13 2.09 -0.26 0.00 0.02 0.00 0.00 61.00 62.98 2c54 s PRO 298 Cb 0.05 -2.58 0.09 0.00 0.02 0.00 0.00 34.50 32.08 2c54 s PRO 298 CO -0.04 -0.65 1.14 0.20 -0.33 0.00 0.00 177.00 177.32 2c54 s GLY 299 N -0.92 -0.12 -0.55 0.52 0.00 -1.26 -4.82 107.32 100.18 2c54 s GLY 299 Ca 0.61 0.05 -0.27 0.00 0.00 0.00 0.00 44.72 45.11 2c54 s GLY 299 CO 0.46 2.23 1.64 2.56 0.00 0.00 0.00 173.10 179.98 2c54 s PRO 300 N -2.39 3.05 0.24 2.90 0.04 -1.26 -4.71 135.00 132.88 2c54 s PRO 300 Ca 0.20 0.65 0.12 0.00 0.04 0.00 0.00 61.00 62.01 2c54 s PRO 300 Cb -0.00 -4.24 0.13 0.00 0.04 0.00 0.00 34.50 30.43 2c54 s PRO 300 CO 0.01 -2.23 1.47 1.49 0.04 0.00 0.00 177.00 177.78 2c54 h GLU 301 N 12.77 0.00 0.00 4.56 4.81 -1.93 -3.45 114.58 131.34 2c54 h GLU 301 Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2c54 h GLU 301 Cb 1.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2c54 h GLU 301 CO 1.17 0.66 0.00 0.41 -0.73 0.00 0.00 179.01 180.53 2c54 n GLY 302 N 0.93 2.19 3.82 1.92 0.00 -1.26 -4.78 105.19 108.02 2c54 n GLY 302 Ca 0.00 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 2c54 n GLY 302 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2c54 s VAL 303 N 0.00 4.07 0.17 1.61 -7.23 -1.26 -4.96 120.40 112.79 2c54 s VAL 303 Ca 0.00 0.69 -0.03 0.00 -1.81 0.00 0.00 61.98 60.83 2c54 s VAL 303 Cb 0.00 -3.43 -0.10 0.00 0.56 0.00 0.00 36.38 33.41 2c54 s VAL 303 CO 0.00 -0.86 1.44 -0.09 -0.31 0.00 0.00 175.10 175.28 2c54 h ARG 304 N -0.62 0.49 -2.02 4.82 9.65 -1.73 -3.45 114.38 121.51 2c54 h ARG 304 Ca -0.44 -0.38 -0.02 0.00 -1.10 0.00 0.00 59.98 58.05 2c54 h ARG 304 Cb 1.21 0.07 -0.19 0.00 -1.39 0.00 0.00 29.97 29.67 2c54 h ARG 304 CO 0.57 1.00 0.28 0.20 2.80 0.00 0.00 179.97 184.82 2c54 s GLY 305 N -4.24 -0.51 0.11 2.80 0.00 -1.03 -1.58 107.32 102.87 2c54 s GLY 305 Ca -0.07 1.37 -0.25 0.00 0.00 0.00 0.00 44.72 45.78 2c54 s GLY 305 CO 0.85 0.86 0.64 1.09 0.00 0.00 0.00 173.10 176.54 2c54 s ARG 306 N -1.52 1.20 0.12 2.90 1.70 -0.85 -4.48 118.95 118.00 2c54 s ARG 306 Ca -0.07 -0.34 -0.14 0.00 -0.47 0.00 0.00 55.73 54.71 2c54 s ARG 306 Cb -0.00 0.55 0.02 0.00 -0.57 0.00 0.00 34.95 34.96 2c54 s ARG 306 CO 0.05 -0.50 0.34 1.21 -1.08 0.00 0.00 175.30 175.32 2c54 s ASN 307 N -2.47 -0.13 0.20 -2.89 3.04 -0.88 -3.54 114.94 108.27 2c54 s ASN 307 Ca -0.00 -0.42 -0.28 0.00 0.04 0.00 0.00 52.86 52.19 2c54 s ASN 307 Cb -0.01 0.44 -0.08 0.00 -1.54 0.00 0.00 41.25 40.06 2c54 s ASN 307 CO -0.09 -0.82 0.89 -0.55 -3.04 0.00 0.00 177.10 173.48 2c54 s SER 308 N -2.82 7.55 -0.41 -4.21 0.15 -1.21 -1.21 113.70 111.54 2c54 s SER 308 Ca 0.04 1.83 -0.15 0.00 0.70 0.00 0.00 55.95 58.37 2c54 s SER 308 Cb 0.03 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.79 2c54 s SER 308 CO -0.11 0.15 0.29 -0.62 1.20 0.00 0.00 173.24 174.15 2c54 s ASP 309 N -1.03 6.08 -0.13 5.45 -1.08 -1.04 -4.53 116.67 120.39 2c54 s ASP 309 Ca 0.40 -0.90 0.10 0.00 -0.52 0.00 0.00 52.55 51.64 2c54 s ASP 309 Cb -0.25 -2.15 0.53 0.00 -1.46 0.00 0.00 42.92 39.59 2c54 s ASP 309 CO 0.30 -0.44 1.34 0.59 0.52 0.00 0.00 175.17 177.48 2c54 n ASN 310 N 5.15 3.89 -0.12 -0.34 3.02 -1.26 -4.47 115.26 121.12 2c54 n ASN 310 Ca -0.11 -2.51 -0.09 0.00 -0.03 0.00 0.00 54.58 51.85 2c54 n ASN 310 Cb 0.47 -0.57 -0.01 0.00 -0.61 0.00 0.00 39.78 39.06 2c54 n ASN 310 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2c54 h ASN 311 N 2.72 0.47 -0.32 6.41 2.35 -1.97 -2.02 115.58 123.22 2c54 h ASN 311 Ca 0.00 -0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.52 2c54 h ASN 311 Cb 1.34 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 39.58 2c54 h ASN 311 CO 0.27 0.42 -0.33 0.25 -1.65 0.00 0.00 177.43 176.40 2c54 h LEU 312 N 0.48 0.85 -1.07 1.61 5.85 -1.98 -0.41 115.31 120.63 2c54 h LEU 312 Ca 0.13 -0.47 -0.08 0.00 0.84 0.00 0.00 57.88 58.31 2c54 h LEU 312 Cb 0.06 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 2c54 h LEU 312 CO -0.02 1.14 -0.15 -0.29 -0.34 0.00 0.00 178.44 178.78 2c54 h ILE 313 N 0.57 1.24 -0.28 4.05 2.10 -1.85 -0.54 117.51 122.80 2c54 h ILE 313 Ca 0.05 -1.06 -0.05 0.00 1.08 0.00 0.00 64.86 64.88 2c54 h ILE 313 Cb 0.91 1.20 -0.01 0.00 -1.09 0.00 0.00 36.82 37.82 2c54 h ILE 313 CO 0.08 0.34 -0.02 0.11 -1.08 0.00 0.00 178.15 177.58 2c54 h LYS 314 N 0.44 0.51 -0.72 2.19 1.57 -1.23 0.25 116.57 119.58 2c54 h LYS 314 Ca 0.08 -0.17 0.09 0.00 -1.87 0.00 0.00 60.65 58.77 2c54 h LYS 314 Cb 0.53 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.73 2c54 h LYS 314 CO 0.03 0.68 0.37 1.49 -0.57 0.00 0.00 179.45 181.46 2c54 h GLU 315 N 0.28 0.62 0.09 3.15 4.81 -0.73 0.51 114.58 123.31 2c54 h GLU 315 Ca 0.08 -0.04 -0.37 0.00 -0.13 0.00 0.00 59.36 58.90 2c54 h GLU 315 Cb 0.47 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 2c54 h GLU 315 CO 0.02 0.41 -2.10 1.63 -0.73 0.00 0.00 179.01 178.24 2c54 n LYS 316 N -4.84 0.72 -0.00 1.92 4.76 -0.24 -4.54 118.16 115.95 2c54 n LYS 316 Ca 0.11 0.24 0.08 0.00 -2.87 0.00 0.00 58.31 55.87 2c54 n LYS 316 Cb 0.26 -1.66 -0.11 0.00 -1.84 0.00 0.00 35.03 31.68 2c54 n LYS 316 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2c54 n LEU 317 N -3.47 0.40 -2.83 -0.35 4.77 0.86 -5.00 117.00 111.38 2c54 n LEU 317 Ca -0.36 -0.27 -0.21 0.00 -0.03 0.00 0.00 56.01 55.14 2c54 n LEU 317 Cb 1.02 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 42.14 2c54 n LEU 317 CO 0.37 0.10 -0.03 0.61 -1.33 0.00 0.00 177.39 177.11 2c54 n GLY 318 N 1.47 -0.47 3.40 -0.72 0.00 0.17 -4.98 105.19 104.06 2c54 n GLY 318 Ca 0.00 0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 2c54 n GLY 318 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2c54 s TRP 319 N -3.14 -0.51 0.10 1.61 -0.00 -1.25 -4.99 118.94 110.75 2c54 s TRP 319 Ca 0.26 1.10 -0.14 0.00 -0.00 0.00 0.00 56.10 57.32 2c54 s TRP 319 Cb -0.11 0.22 0.02 0.00 -0.00 0.00 0.00 33.47 33.60 2c54 s TRP 319 CO 0.32 -0.37 0.32 0.00 -0.00 0.00 0.00 176.95 177.22 2c54 s ALA 320 N -0.38 -0.68 0.39 5.86 0.00 -1.26 -3.58 121.76 122.10 2c54 s ALA 320 Ca -0.05 -0.20 -0.27 0.00 0.00 0.00 0.00 51.96 51.44 2c54 s ALA 320 Cb -0.03 0.55 -0.11 0.00 0.00 0.00 0.00 23.12 23.53 2c54 s ALA 320 CO 0.03 -0.56 1.40 -2.30 0.00 0.00 0.00 175.76 174.34 2c54 n PRO 321 N -0.01 2.37 -0.18 0.00 -0.02 -1.26 -4.92 135.00 130.97 2c54 n PRO 321 Ca -0.16 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2c54 n PRO 321 Cb 0.62 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 2c54 n PRO 321 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2c54 n ASN 322 N 0.40 0.00 -4.77 2.55 5.15 -1.26 -4.72 115.26 112.62 2c54 n ASN 322 Ca 0.03 -1.28 -0.37 0.00 -0.60 0.00 0.00 54.58 52.36 2c54 n ASN 322 Cb 0.39 -0.06 -0.01 0.00 -0.53 0.00 0.00 39.78 39.57 2c54 n ASN 322 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 2c54 s MET 323 N 0.00 3.75 0.20 1.20 -2.45 -1.26 -4.98 119.30 115.76 2c54 s MET 323 Ca 0.00 1.81 -0.30 0.00 -1.25 0.00 0.00 55.69 55.95 2c54 s MET 323 Cb 0.00 -2.42 -0.08 0.00 1.25 0.00 0.00 34.83 33.58 2c54 s MET 323 CO 0.00 -0.57 1.03 1.03 1.05 0.00 0.00 175.02 177.56 2c54 s ARG 324 N -2.68 4.69 0.20 4.11 1.81 -1.26 -4.94 118.95 120.88 2c54 s ARG 324 Ca 0.63 1.62 -0.11 0.00 -1.72 0.00 0.00 55.73 56.16 2c54 s ARG 324 Cb -0.29 -3.28 0.19 0.00 -0.45 0.00 0.00 34.95 31.12 2c54 s ARG 324 CO 0.36 0.25 1.79 1.25 -0.68 0.00 0.00 175.30 178.27 2c54 h LEU 325 N 4.68 0.45 -1.42 2.53 5.85 -1.93 -1.82 115.31 123.65 2c54 h LEU 325 Ca -0.45 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 2c54 h LEU 325 Cb 1.21 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 2c54 h LEU 325 CO 0.70 0.30 0.17 0.50 -0.34 0.00 0.00 178.44 179.77 2c54 h LYS 326 N 0.58 0.57 -0.26 1.25 3.64 -1.98 0.11 116.57 120.48 2c54 h LYS 326 Ca 0.26 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.43 2c54 h LYS 326 Cb 0.17 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2c54 h LYS 326 CO -0.18 0.46 -0.39 0.93 -2.27 0.00 0.00 179.45 178.01 2c54 h GLU 327 N 0.57 0.72 -0.62 1.90 4.39 -1.74 -0.16 114.58 119.63 2c54 h GLU 327 Ca 0.14 -0.43 -0.09 0.00 0.34 0.00 0.00 59.36 59.32 2c54 h GLU 327 Cb 0.10 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 2c54 h GLU 327 CO -0.02 1.05 0.04 0.78 -1.16 0.00 0.00 179.01 179.71 2c54 h GLY 328 N 0.45 1.16 1.24 -3.84 0.00 -1.01 -2.92 103.07 98.15 2c54 h GLY 328 Ca 0.02 -0.82 -0.04 0.00 0.00 0.00 0.00 47.33 46.49 2c54 h GLY 328 CO 0.09 0.76 0.22 1.41 0.00 0.00 0.00 176.54 179.01 2c54 h LEU 329 N 0.98 0.89 -0.56 3.11 3.38 -0.74 -1.89 115.31 120.47 2c54 h LEU 329 Ca 0.18 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2c54 h LEU 329 Cb 0.51 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2c54 h LEU 329 CO 0.02 0.82 0.31 -0.09 0.09 0.00 0.00 178.44 179.60 2c54 h ARG 330 N 0.93 0.59 -0.30 1.13 2.43 -0.83 0.17 114.38 118.51 2c54 h ARG 330 Ca 0.21 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 2c54 h ARG 330 Cb 0.24 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2c54 h ARG 330 CO -0.01 0.39 0.16 0.82 -1.51 0.00 0.00 179.97 179.82 2c54 h ILE 331 N 0.61 1.13 -0.27 1.20 2.04 -1.42 -2.52 117.51 118.28 2c54 h ILE 331 Ca 0.24 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 2c54 h ILE 331 Cb 0.10 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2c54 h ILE 331 CO -0.14 0.13 0.07 0.74 0.00 0.00 0.00 178.15 178.95 2c54 h THR 332 N 0.36 1.21 -0.50 -0.27 2.02 -1.00 -1.96 112.91 112.77 2c54 h THR 332 Ca 0.11 -0.70 0.10 0.00 0.77 0.00 0.00 66.41 66.68 2c54 h THR 332 Cb 0.06 1.16 -0.08 0.00 -1.74 0.00 0.00 68.15 67.55 2c54 h THR 332 CO -0.02 0.23 0.01 0.22 0.37 0.00 0.00 175.52 176.33 2c54 h TYR 333 N 0.27 -0.02 0.00 3.16 5.03 -0.47 0.06 116.97 125.00 2c54 h TYR 333 Ca 0.08 0.04 -0.09 0.00 2.58 0.00 0.00 58.73 61.34 2c54 h TYR 333 Cb 0.28 0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.63 2c54 h TYR 333 CO 0.01 -0.11 -0.45 0.74 -1.32 0.00 0.00 178.16 177.04 2c54 h PHE 334 N 0.12 0.00 -0.30 -3.82 0.04 -1.34 -0.16 116.94 111.48 2c54 h PHE 334 Ca 0.25 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.94 2c54 h PHE 334 Cb 0.38 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 2c54 h PHE 334 CO -0.31 0.45 -0.14 2.35 -0.60 0.00 0.00 178.31 180.06 2c54 h TRP 335 N 0.00 0.72 -0.86 -0.55 7.01 -0.95 -2.24 115.95 119.08 2c54 h TRP 335 Ca -0.00 -0.18 -0.01 0.00 2.11 0.00 0.00 58.89 60.81 2c54 h TRP 335 Cb 1.06 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 27.91 2c54 h TRP 335 CO 0.00 0.85 0.51 0.82 -2.79 0.00 0.00 178.44 177.83 2c54 h ILE 336 N 0.38 1.24 -0.64 2.65 2.04 -0.66 -2.28 117.51 120.23 2c54 h ILE 336 Ca 0.07 -0.54 0.08 0.00 1.00 0.00 0.00 64.86 65.46 2c54 h ILE 336 Cb 0.66 0.04 -0.06 0.00 -0.74 0.00 0.00 36.82 36.71 2c54 h ILE 336 CO 0.04 0.26 0.31 0.50 0.00 0.00 0.00 178.15 179.26 2c54 h LYS 337 N 1.19 0.54 -0.84 2.37 3.64 -0.84 0.24 116.57 122.86 2c54 h LYS 337 Ca 0.31 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 2c54 h LYS 337 Cb -0.03 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.63 2c54 h LYS 337 CO -0.06 0.36 0.41 0.93 -2.27 0.00 0.00 179.45 178.82 2c54 h GLU 338 N 0.55 1.21 -0.57 1.90 5.08 -0.89 -1.26 114.58 120.60 2c54 h GLU 338 Ca 0.31 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 2c54 h GLU 338 Cb 0.30 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2c54 h GLU 338 CO -0.24 0.93 0.05 1.96 -1.00 0.00 0.00 179.01 180.70 2c54 h GLN 339 N 1.20 0.98 -0.83 2.33 1.08 -0.70 -1.82 115.11 117.34 2c54 h GLN 339 Ca 0.29 -0.29 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 2c54 h GLN 339 Cb 0.11 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.40 2c54 h GLN 339 CO -0.04 0.96 0.39 0.82 -0.95 0.00 0.00 178.83 180.01 2c54 h ILE 340 N 0.87 1.26 -0.56 2.54 2.04 -0.80 -1.66 117.51 121.20 2c54 h ILE 340 Ca 0.17 -0.74 -0.07 0.00 1.00 0.00 0.00 64.86 65.22 2c54 h ILE 340 Cb 0.48 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2c54 h ILE 340 CO 0.02 0.31 0.07 -0.33 0.00 0.00 0.00 178.15 178.22 2c54 h GLU 341 N 1.19 0.92 -0.95 2.37 5.08 -1.05 0.91 114.58 123.05 2c54 h GLU 341 Ca 0.28 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2c54 h GLU 341 Cb 0.13 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 2c54 h GLU 341 CO -0.03 0.87 0.63 0.87 -1.00 0.00 0.00 179.01 180.34 2c54 h LYS 342 N 0.86 1.25 -0.36 2.33 1.57 -1.01 -1.66 116.57 119.55 2c54 h LYS 342 Ca 0.17 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 2c54 h LYS 342 Cb 0.41 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2c54 h LYS 342 CO 0.01 0.83 -0.24 0.93 -0.57 0.00 0.00 179.45 180.42 2c54 h GLU 343 N 1.29 0.80 -0.64 3.15 4.39 -0.44 -1.78 114.58 121.34 2c54 h GLU 343 Ca 0.35 -0.38 0.07 0.00 0.34 0.00 0.00 59.36 59.75 2c54 h GLU 343 Cb -0.15 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.43 2c54 h GLU 343 CO -0.07 1.01 0.32 0.87 -1.16 0.00 0.00 179.01 179.97 2c54 h LYS 344 N 0.59 0.55 -0.55 2.33 1.57 -0.69 -0.58 116.57 119.80 2c54 h LYS 344 Ca 0.07 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2c54 h LYS 344 Cb 0.80 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 2c54 h LYS 344 CO 0.07 0.37 0.13 0.00 -0.57 0.00 0.00 179.45 179.44 2c54 h ALA 345 N 1.37 1.20 0.00 3.86 0.00 -1.14 -1.85 119.26 122.70 2c54 h ALA 345 Ca 0.30 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2c54 h ALA 345 Cb 0.27 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2c54 h ALA 345 CO -0.23 0.55 0.00 0.87 0.00 0.00 0.00 179.25 180.44 2c54 h LYS 346 N 0.82 0.00 0.00 0.00 1.57 -0.61 -3.46 116.57 114.88 2c54 h LYS 346 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2c54 h LYS 346 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2c54 h LYS 346 CO -0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 2c54 n GLY 347 N -0.26 0.87 3.75 3.86 0.00 -0.69 -5.08 105.19 107.64 2c54 n GLY 347 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2c54 n GLY 347 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c54 s SER 348 N -2.27 4.98 -0.83 1.61 0.01 -0.29 -4.92 113.70 111.99 2c54 s SER 348 Ca 0.00 2.42 -0.22 0.00 1.31 0.00 0.00 55.95 59.46 2c54 s SER 348 Cb 0.00 -2.60 0.08 0.00 0.21 0.00 0.00 66.02 63.71 2c54 s SER 348 CO 0.00 -1.74 1.17 -0.62 0.41 0.00 0.00 173.24 172.46 2c54 s ASP 349 N -1.63 6.38 0.27 2.44 -1.08 -1.26 -4.57 116.67 117.22 2c54 s ASP 349 Ca 0.78 -1.34 0.25 0.00 -0.52 0.00 0.00 52.55 51.72 2c54 s ASP 349 Cb -0.31 -2.47 0.91 0.00 -1.46 0.00 0.00 42.92 39.59 2c54 s ASP 349 CO 0.36 -1.40 1.75 -0.37 0.52 0.00 0.00 175.17 176.03 2c54 h VAL 350 N 6.12 0.00 -0.34 1.11 -1.51 -1.93 -2.88 116.25 116.83 2c54 h VAL 350 Ca -0.04 -0.38 0.10 0.00 -1.23 0.00 0.00 66.70 65.14 2c54 h VAL 350 Cb 1.04 1.25 -0.01 0.00 -2.13 0.00 0.00 31.29 31.44 2c54 h VAL 350 CO 1.23 0.00 0.25 0.77 -1.23 0.00 0.00 177.57 178.58 2c54 h SER 351 N 0.00 0.00 0.81 4.19 4.64 -1.89 -1.28 113.55 120.02 2c54 h SER 351 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c54 h SER 351 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2c54 h SER 351 CO 0.00 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.89 2c54 h LEU 352 N 0.00 0.00 -0.34 5.97 3.38 -1.86 -3.03 115.31 119.44 2c54 h LEU 352 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2c54 h LEU 352 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2c54 h LEU 352 CO -0.00 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.31 2c54 n TYR 353 N -3.05 0.34 0.31 1.13 4.01 -0.48 -2.78 117.16 116.63 2c54 n TYR 353 Ca -0.00 0.14 0.16 0.00 -0.16 0.00 0.00 57.90 58.04 2c54 n TYR 353 Cb 0.26 -0.72 0.69 0.00 -0.31 0.00 0.00 39.34 39.25 2c54 n TYR 353 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2c54 h GLY 354 N 2.06 0.00 -5.45 2.72 0.00 -1.73 -3.40 103.07 97.27 2c54 h GLY 354 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 2c54 h GLY 354 CO 0.00 0.00 -0.80 -1.35 0.00 0.00 0.00 176.54 174.39 2c54 s SER 355 N -5.26 3.71 0.26 0.19 1.04 -1.12 -4.60 113.70 107.93 2c54 s SER 355 Ca 0.01 -0.39 -0.25 0.00 0.48 0.00 0.00 55.95 55.80 2c54 s SER 355 Cb 0.09 -1.45 -0.09 0.00 0.10 0.00 0.00 66.02 64.67 2c54 s SER 355 CO 0.49 0.18 0.87 -0.44 0.98 0.00 0.00 173.24 175.32 2c54 s SER 356 N 0.23 7.35 0.26 7.02 0.01 -1.26 -5.05 113.70 122.27 2c54 s SER 356 Ca -0.11 1.74 -0.10 0.00 1.31 0.00 0.00 55.95 58.79 2c54 s SER 356 Cb -0.16 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.46 2c54 s SER 356 CO 0.06 0.05 0.59 -0.54 0.41 0.00 0.00 173.24 173.81 2c54 s LYS 357 N -1.70 3.80 -0.18 12.44 1.02 -1.26 -5.10 119.74 128.76 2c54 s LYS 357 Ca 0.44 0.29 -0.07 0.00 0.02 0.00 0.00 55.97 56.65 2c54 s LYS 357 Cb -0.21 -2.60 -0.04 0.00 -0.52 0.00 0.00 37.83 34.46 2c54 s LYS 357 CO 0.25 0.25 0.06 0.08 -0.92 0.00 0.00 175.35 175.08 2c54 s VAL 358 N -1.93 4.81 -0.14 3.17 1.01 -1.26 -4.58 120.40 121.48 2c54 s VAL 358 Ca 0.48 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.14 2c54 s VAL 358 Cb -0.11 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 2c54 s VAL 358 CO 0.23 0.46 0.99 -0.69 0.00 0.00 0.00 175.10 176.09 2c54 s VAL 359 N 0.34 4.78 0.73 2.92 1.01 0.38 -5.01 120.40 125.56 2c54 s VAL 359 Ca 0.03 1.98 -0.13 0.00 0.00 0.00 0.00 61.98 63.86 2c54 s VAL 359 Cb -0.12 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 32.01 2c54 s VAL 359 CO 0.00 -0.03 1.12 -0.83 0.00 0.00 0.00 175.10 175.36 2c54 s GLY 360 N 1.13 1.95 0.13 4.51 0.00 -1.26 -4.73 107.32 109.05 2c54 s GLY 360 Ca 0.46 0.48 -0.32 0.00 0.00 0.00 0.00 44.72 45.34 2c54 s GLY 360 CO 0.14 0.84 1.77 2.41 0.00 0.00 0.00 173.10 178.27 2c54 n THR 361 N -3.03 0.23 -4.22 0.90 -1.04 -1.23 -4.90 114.28 100.99 2c54 n THR 361 Ca 0.10 -0.04 -0.23 0.00 -2.04 0.00 0.00 64.05 61.84 2c54 n THR 361 Cb 0.52 -1.97 -0.07 0.00 -1.82 0.00 0.00 70.33 67.00 2c54 n THR 361 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2c54 s GLN 362 N 2.13 2.33 0.15 -2.82 -0.21 -1.26 -5.07 119.66 114.91 2c54 s GLN 362 Ca 0.81 -1.48 0.05 0.00 0.02 0.00 0.00 55.36 54.75 2c54 s GLN 362 Cb -0.54 -2.16 -0.04 0.00 1.00 0.00 0.00 33.01 31.27 2c54 s GLN 362 CO 0.37 0.26 0.13 0.00 -2.12 0.00 0.00 175.29 173.93 2c54 s ALA 363 N -2.37 3.58 0.40 6.09 0.00 -1.26 -4.32 121.76 123.88 2c54 s ALA 363 Ca 0.34 -1.17 -0.26 0.00 0.00 0.00 0.00 51.96 50.87 2c54 s ALA 363 Cb -0.04 -1.39 -0.11 0.00 0.00 0.00 0.00 23.12 21.58 2c54 s ALA 363 CO 0.21 0.55 1.25 -2.30 0.00 0.00 0.00 175.76 175.48 2c54 n PRO 364 N -0.19 1.93 -1.95 0.00 -0.02 -1.26 -4.99 135.00 128.51 2c54 n PRO 364 Ca -0.08 0.68 -0.31 0.00 -2.02 0.00 0.00 63.50 61.77 2c54 n PRO 364 Cb 0.54 -2.33 0.01 0.00 -0.02 0.00 0.00 33.50 31.69 2c54 n PRO 364 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2c54 s VAL 365 N -1.18 4.71 0.59 -1.45 -7.23 -1.26 -5.03 120.40 109.55 2c54 s VAL 365 Ca 0.60 0.87 -0.20 0.00 -1.81 0.00 0.00 61.98 61.44 2c54 s VAL 365 Cb -0.53 -3.86 -0.04 0.00 0.56 0.00 0.00 36.38 32.52 2c54 s VAL 365 CO 0.59 -1.09 1.23 0.00 -0.31 0.00 0.00 175.10 175.52 2c54 n GLN 366 N -2.62 1.30 -1.78 4.82 6.02 -1.26 -4.93 117.38 118.92 2c54 n GLN 366 Ca 0.06 0.49 -0.41 0.00 -0.01 0.00 0.00 57.00 57.13 2c54 n GLN 366 Cb 0.54 -2.44 -0.01 0.00 1.02 0.00 0.00 30.24 29.35 2c54 n GLN 366 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2c54 s LEU 367 N -3.30 4.33 0.00 1.08 1.43 -1.26 -3.00 118.68 117.96 2c54 s LEU 367 Ca 0.76 3.02 0.00 0.00 -1.03 0.00 0.00 54.13 56.88 2c54 s LEU 367 Cb -0.41 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.16 2c54 s LEU 367 CO 0.46 -0.90 0.00 0.61 0.23 0.00 0.00 176.35 176.75 2c54 n GLY 368 N 1.26 0.85 3.90 -3.19 0.00 -1.26 -5.09 105.19 101.66 2c54 n GLY 368 Ca 0.04 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 2c54 n GLY 368 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c54 s SER 369 N -2.44 6.37 0.04 1.61 0.01 -1.16 -4.97 113.70 113.17 2c54 s SER 369 Ca 0.00 0.89 0.05 0.00 1.31 0.00 0.00 55.95 58.20 2c54 s SER 369 Cb 0.00 -2.22 -0.02 0.00 0.21 0.00 0.00 66.02 63.98 2c54 s SER 369 CO 0.00 -0.42 -0.13 -0.76 0.41 0.00 0.00 173.24 172.34 2c54 s LEU 370 N -4.21 2.20 -0.51 2.44 1.43 -1.26 -4.05 118.68 114.71 2c54 s LEU 370 Ca 0.47 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 2c54 s LEU 370 Cb -0.10 -0.53 0.40 0.00 0.03 0.00 0.00 46.19 45.99 2c54 s LEU 370 CO 0.37 -0.01 1.22 0.54 0.23 0.00 0.00 176.35 178.70 2c54 n ARG 371 N 1.77 3.36 -0.84 1.70 1.74 0.23 -4.89 116.66 119.73 2c54 n ARG 371 Ca -0.19 -4.42 0.04 0.00 -0.77 0.00 0.00 57.85 52.51 2c54 n ARG 371 Cb 0.55 -2.25 0.35 0.00 -1.02 0.00 0.00 32.46 30.09 2c54 n ARG 371 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2c54 n ALA 372 N -0.46 3.88 0.04 7.54 0.00 -1.18 -4.16 120.51 126.17 2c54 n ALA 372 Ca 0.40 -2.13 -0.13 0.00 0.00 0.00 0.00 53.44 51.59 2c54 n ALA 372 Cb 0.57 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 2c54 n ALA 372 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c54 h ALA 373 N 3.22 0.45 -0.02 0.00 0.00 -1.91 -3.46 119.26 117.55 2c54 h ALA 373 Ca 0.06 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2c54 h ALA 373 Cb 1.95 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2c54 h ALA 373 CO 0.49 0.76 0.00 -0.25 0.00 0.00 0.00 179.25 180.26