#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pnm s ASN 2 N 0.00 4.62 -0.25 6.43 6.03 -0.63 -3.49 114.94 127.64 1pnm s ASN 2 Ca 0.00 -0.71 -0.23 0.00 -1.03 0.00 0.00 52.86 50.89 1pnm s ASN 2 Cb 0.00 -0.80 0.07 0.00 -3.03 0.00 0.00 41.25 37.49 1pnm s ASN 2 CO 0.00 -0.14 0.67 -0.32 -2.03 0.00 0.00 177.10 175.28 1pnm s MET 3 N -3.75 0.78 -0.05 3.55 1.75 -0.71 -0.90 119.30 119.97 1pnm s MET 3 Ca 0.34 0.95 -0.01 0.00 -1.25 0.00 0.00 55.69 55.72 1pnm s MET 3 Cb -0.04 0.37 0.03 0.00 2.84 0.00 0.00 34.83 38.03 1pnm s MET 3 CO 0.21 -0.10 0.03 1.67 -0.65 0.00 0.00 175.02 176.18 1pnm s TRP 4 N 0.41 0.33 -0.17 4.11 -2.14 -0.72 -1.30 118.94 119.46 1pnm s TRP 4 Ca -0.00 0.05 0.01 0.00 2.66 0.00 0.00 56.10 58.81 1pnm s TRP 4 Cb -0.05 -0.57 0.01 0.00 -3.10 0.00 0.00 33.47 29.76 1pnm s TRP 4 CO 0.00 -0.22 -0.18 0.08 -2.66 0.00 0.00 176.95 173.97 1pnm s VAL 5 N 1.82 2.28 -0.22 -0.66 1.01 0.81 -1.03 120.40 124.40 1pnm s VAL 5 Ca 0.01 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1pnm s VAL 5 Cb -0.12 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.32 1pnm s VAL 5 CO -0.03 0.53 -0.11 -0.63 0.00 0.00 0.00 175.10 174.85 1pnm s ILE 6 N 1.14 2.63 0.92 2.22 1.01 -0.23 0.06 121.20 128.94 1pnm s ILE 6 Ca 0.01 -0.93 -0.13 0.00 0.00 0.00 0.00 60.65 59.60 1pnm s ILE 6 Cb -0.14 -2.24 0.18 0.00 0.01 0.00 0.00 42.46 40.27 1pnm s ILE 6 CO -0.08 0.35 1.27 -0.83 0.00 0.00 0.00 174.94 175.65 1pnm s GLY 7 N 1.33 1.77 0.25 6.18 0.00 0.16 -1.01 107.32 116.00 1pnm s GLY 7 Ca 0.02 -1.25 -0.11 0.00 0.00 0.00 0.00 44.72 43.38 1pnm s GLY 7 CO -0.07 -0.53 1.58 0.50 0.00 0.00 0.00 173.10 174.58 1pnm h LYS 8 N -1.44 -0.01 0.00 2.90 1.57 -1.05 -1.00 116.57 117.54 1pnm h LYS 8 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1pnm h LYS 8 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1pnm h LYS 8 CO 0.40 -0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.93 1pnm h SER 9 N -0.01 0.00 0.00 0.86 4.64 -1.88 -3.24 113.55 113.93 1pnm h SER 9 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1pnm h SER 9 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1pnm h SER 9 CO -0.90 0.00 -1.47 0.29 -0.87 0.00 0.00 176.83 173.88 1pnm n LYS 10 N -2.98 0.69 -2.92 4.77 4.76 -1.06 -4.89 118.16 116.53 1pnm n LYS 10 Ca 0.01 -0.10 -0.37 0.00 -2.87 0.00 0.00 58.31 54.98 1pnm n LYS 10 Cb 0.33 -1.28 -0.06 0.00 -1.84 0.00 0.00 35.03 32.17 1pnm n LYS 10 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pnm s ALA 11 N -2.81 3.32 -0.19 7.82 0.00 -0.40 -0.70 121.76 128.79 1pnm s ALA 11 Ca -0.04 0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.31 1pnm s ALA 11 Cb 0.08 -3.02 0.03 0.00 0.00 0.00 0.00 23.12 20.21 1pnm s ALA 11 CO 0.54 0.25 -0.15 -1.14 0.00 0.00 0.00 175.76 175.26 1pnm s GLN 12 N -1.87 2.45 -0.63 0.00 2.00 0.78 -4.69 119.66 117.69 1pnm s GLN 12 Ca 0.45 -0.85 0.00 0.00 -2.00 0.00 0.00 55.36 52.96 1pnm s GLN 12 Cb -0.19 -2.47 0.00 0.00 0.80 0.00 0.00 33.01 31.15 1pnm s GLN 12 CO 0.23 -0.33 0.00 -0.25 -0.50 0.00 0.00 175.29 174.44 1pnm n ASP 13 N 4.64 -2.80 -3.71 6.67 8.00 -1.26 -4.27 116.55 123.83 1pnm n ASP 13 Ca -0.17 0.01 -0.02 0.00 0.71 0.00 0.00 54.79 55.31 1pnm n ASP 13 Cb 0.48 -2.04 -0.01 0.00 -0.02 0.00 0.00 41.12 39.52 1pnm n ASP 13 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pnm s ALA 14 N -2.36 -1.83 -0.09 2.24 0.00 -1.26 -2.05 121.76 116.41 1pnm s ALA 14 Ca 0.00 0.33 0.17 0.00 0.00 0.00 0.00 51.96 52.46 1pnm s ALA 14 Cb 0.00 0.55 -0.26 0.00 0.00 0.00 0.00 23.12 23.41 1pnm s ALA 14 CO 0.00 -1.03 0.25 1.63 0.00 0.00 0.00 175.76 176.61 1pnm n LYS 15 N -0.47 0.84 -3.64 0.00 5.02 0.15 -4.76 118.16 115.30 1pnm n LYS 15 Ca -0.07 -0.10 -0.15 0.00 -2.02 0.00 0.00 58.31 55.98 1pnm n LYS 15 Cb 0.61 -1.45 -0.08 0.00 -0.02 0.00 0.00 35.03 34.10 1pnm n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pnm s ALA 16 N -2.90 -1.55 -0.05 7.82 0.00 -1.19 -1.40 121.76 122.49 1pnm s ALA 16 Ca -0.08 1.58 0.01 0.00 0.00 0.00 0.00 51.96 53.47 1pnm s ALA 16 Cb 0.09 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.49 1pnm s ALA 16 CO 0.75 -0.31 -0.04 0.42 0.00 0.00 0.00 175.76 176.58 1pnm s ILE 17 N -0.10 0.56 -0.14 0.00 1.01 -0.18 -1.48 121.20 120.88 1pnm s ILE 17 Ca -0.03 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.53 1pnm s ILE 17 Cb -0.04 -0.61 0.01 0.00 0.01 0.00 0.00 42.46 41.84 1pnm s ILE 17 CO 0.03 0.25 -0.18 -0.32 0.00 0.00 0.00 174.94 174.71 1pnm s MET 18 N 1.15 2.65 -0.13 2.79 1.75 -0.26 -1.06 119.30 126.18 1pnm s MET 18 Ca -0.07 -0.71 0.01 0.00 -1.25 0.00 0.00 55.69 53.67 1pnm s MET 18 Cb -0.14 -2.23 0.02 0.00 2.84 0.00 0.00 34.83 35.32 1pnm s MET 18 CO -0.01 -0.09 -0.17 0.08 -0.65 0.00 0.00 175.02 174.18 1pnm s VAL 19 N 1.04 1.66 -0.02 10.11 1.01 -0.20 -1.43 120.40 132.57 1pnm s VAL 19 Ca -0.03 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.27 1pnm s VAL 19 Cb -0.15 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 1pnm s VAL 19 CO -0.05 0.47 -0.18 0.21 0.00 0.00 0.00 175.10 175.56 1pnm s ASN 20 N 1.09 2.11 -0.41 3.32 3.04 -0.72 -1.76 114.94 121.60 1pnm s ASN 20 Ca -0.03 -0.33 0.05 0.00 0.04 0.00 0.00 52.86 52.58 1pnm s ASN 20 Cb -0.14 -0.35 0.18 0.00 -1.54 0.00 0.00 41.25 39.40 1pnm s ASN 20 CO -0.04 0.20 0.38 0.61 -3.04 0.00 0.00 177.10 175.20 1pnm n GLY 21 N 2.80 2.16 3.73 1.21 0.00 -0.07 -2.16 105.19 112.87 1pnm n GLY 21 Ca -0.16 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 1pnm n GLY 21 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pnm s PRO 22 N -0.11 4.34 -0.35 1.61 0.04 -1.25 -1.61 135.00 137.67 1pnm s PRO 22 Ca 0.33 2.12 -0.03 0.00 0.04 0.00 0.00 61.00 63.47 1pnm s PRO 22 Cb 0.06 -3.18 0.08 0.00 0.04 0.00 0.00 34.50 31.49 1pnm s PRO 22 CO -0.18 -0.34 0.10 -0.65 0.04 0.00 0.00 177.00 175.97 1pnm s GLN 23 N 0.12 2.25 0.00 4.56 -0.21 -1.26 -0.18 119.66 124.94 1pnm s GLN 23 Ca 0.59 -1.50 0.00 0.00 0.02 0.00 0.00 55.36 54.47 1pnm s GLN 23 Cb -0.38 -3.39 0.00 0.00 1.00 0.00 0.00 33.01 30.24 1pnm s GLN 23 CO 0.37 -0.83 0.66 1.19 -2.12 0.00 0.00 175.29 174.57 1pnm n PHE 24 N 4.63 0.00 0.00 0.91 3.72 -1.26 -4.72 117.46 120.74 1pnm n PHE 24 Ca -0.08 -0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 1pnm n PHE 24 Cb 0.43 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 1pnm n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pnm n GLY 25 N -0.21 1.15 3.05 1.37 0.00 -1.26 -4.97 105.19 104.31 1pnm n GLY 25 Ca 0.00 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.62 1pnm n GLY 25 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pnm s TRP 26 N -1.55 2.26 0.12 1.61 0.51 -1.26 -4.66 118.94 115.97 1pnm s TRP 26 Ca 0.00 -1.24 0.04 0.00 -2.12 0.00 0.00 56.10 52.78 1pnm s TRP 26 Cb 0.00 -1.63 -0.04 0.00 -0.81 0.00 0.00 33.47 30.99 1pnm s TRP 26 CO 0.00 -0.65 -0.11 0.71 -0.51 0.00 0.00 176.95 176.39 1pnm s TYR 27 N 1.32 1.21 -0.17 -1.98 2.02 -1.26 -1.69 117.35 116.79 1pnm s TYR 27 Ca 0.02 -0.67 -0.00 0.00 -0.37 0.00 0.00 57.07 56.05 1pnm s TYR 27 Cb -0.13 -0.64 0.04 0.00 -0.40 0.00 0.00 41.96 40.83 1pnm s TYR 27 CO -0.09 0.06 -0.08 0.00 -1.57 0.00 0.00 175.55 173.88 1pnm s ALA 28 N -2.68 1.66 0.81 3.71 0.00 0.59 -3.63 121.76 122.22 1pnm s ALA 28 Ca 0.10 -0.93 -0.11 0.00 0.00 0.00 0.00 51.96 51.02 1pnm s ALA 28 Cb -0.01 -1.15 0.08 0.00 0.00 0.00 0.00 23.12 22.04 1pnm s ALA 28 CO 0.01 -0.73 1.09 -1.25 0.00 0.00 0.00 175.76 174.89 1pnm s PRO 29 N 1.56 2.00 0.37 0.00 0.04 -1.26 -4.35 135.00 133.35 1pnm s PRO 29 Ca 0.01 0.74 -0.23 0.00 0.04 0.00 0.00 61.00 61.56 1pnm s PRO 29 Cb -0.15 -1.90 -0.16 0.00 0.04 0.00 0.00 34.50 32.33 1pnm s PRO 29 CO -0.08 -1.70 0.21 0.00 0.04 0.00 0.00 177.00 175.46 1pnm n ALA 30 N -3.51 -2.85 -0.16 8.56 0.00 -1.24 -4.90 120.51 116.42 1pnm n ALA 30 Ca 0.07 0.18 -0.09 0.00 0.00 0.00 0.00 53.44 53.60 1pnm n ALA 30 Cb 0.56 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1pnm n ALA 30 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1pnm h TYR 31 N 0.49 0.75 -1.63 0.00 3.20 -1.82 -3.45 116.97 114.52 1pnm h TYR 31 Ca -0.36 -0.08 -0.43 0.00 3.14 0.00 0.00 58.73 61.00 1pnm h TYR 31 Cb 1.44 -0.22 0.01 0.00 1.54 0.00 0.00 36.73 39.50 1pnm h TYR 31 CO 0.32 0.68 -0.31 0.95 -1.64 0.00 0.00 178.16 178.16 1pnm s THR 32 N -5.37 3.51 -0.09 1.81 -4.23 -1.26 -2.30 115.64 107.70 1pnm s THR 32 Ca -0.13 -1.03 -0.00 0.00 -1.18 0.00 0.00 61.69 59.35 1pnm s THR 32 Cb 0.11 -3.20 0.02 0.00 1.34 0.00 0.00 72.50 70.78 1pnm s THR 32 CO 0.78 -0.08 -0.06 -0.47 -0.54 0.00 0.00 174.62 174.25 1pnm s TYR 33 N -2.27 1.21 0.14 3.99 5.04 0.21 -4.89 117.35 120.78 1pnm s TYR 33 Ca 0.49 -0.52 -0.30 0.00 -2.44 0.00 0.00 57.07 54.30 1pnm s TYR 33 Cb -0.09 -1.05 -0.06 0.00 0.35 0.00 0.00 41.96 41.10 1pnm s TYR 33 CO 0.32 -0.40 1.00 0.20 -1.34 0.00 0.00 175.55 175.33 1pnm s GLY 34 N 1.54 2.96 -0.27 8.97 0.00 -1.26 -1.77 107.32 117.49 1pnm s GLY 34 Ca 0.01 0.65 -0.25 0.00 0.00 0.00 0.00 44.72 45.13 1pnm s GLY 34 CO -0.05 1.51 0.71 -1.50 0.00 0.00 0.00 173.10 173.77 1pnm s ILE 35 N -0.12 0.00 -0.04 0.90 1.10 -0.76 -4.99 121.20 117.29 1pnm s ILE 35 Ca 0.47 -0.00 0.06 0.00 -0.51 0.00 0.00 60.65 60.67 1pnm s ILE 35 Cb -0.25 -0.99 -0.01 0.00 0.15 0.00 0.00 42.46 41.36 1pnm s ILE 35 CO 0.31 -0.00 -0.22 -0.83 -2.11 0.00 0.00 174.94 172.10 1pnm s GLY 36 N 0.37 1.12 -0.13 1.50 0.00 -1.26 -2.43 107.32 106.49 1pnm s GLY 36 Ca -0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 44.72 43.80 1pnm s GLY 36 CO 0.01 -0.57 -0.02 1.08 0.00 0.00 0.00 173.10 173.60 1pnm s LEU 37 N -0.16 1.11 -0.29 0.66 1.43 -0.43 -5.00 118.68 116.01 1pnm s LEU 37 Ca -0.01 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1pnm s LEU 37 Cb -0.12 -0.68 0.09 0.00 0.03 0.00 0.00 46.19 45.51 1pnm s LEU 37 CO 0.02 -0.20 0.05 -1.00 0.23 0.00 0.00 176.35 175.45 1pnm s HIS 38 N 1.81 2.16 0.00 0.29 3.76 -1.26 -1.04 115.29 121.02 1pnm s HIS 38 Ca 0.02 -1.89 0.00 0.00 -0.15 0.00 0.00 55.06 53.04 1pnm s HIS 38 Cb -0.14 -1.85 0.00 0.00 1.11 0.00 0.00 32.58 31.70 1pnm s HIS 38 CO -0.07 -0.84 0.00 0.41 -0.85 0.00 0.00 174.74 173.39 1pnm n GLY 39 N 4.72 3.96 2.91 -2.22 0.00 -0.11 -5.00 105.19 109.45 1pnm n GLY 39 Ca -0.04 -1.50 -0.20 0.00 0.00 0.00 0.00 46.02 44.28 1pnm n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pnm n ALA 40 N -1.90 -0.91 0.00 4.61 0.00 -1.26 -2.11 120.51 118.94 1pnm n ALA 40 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1pnm n ALA 40 Cb 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 19.45 16.56 1pnm n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pnm n GLY 41 N -1.22 1.33 3.86 0.00 0.00 -1.26 -5.06 105.19 102.83 1pnm n GLY 41 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 1pnm n GLY 41 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pnm s TYR 42 N -2.31 3.67 -0.48 1.61 2.02 -0.90 -4.84 117.35 116.12 1pnm s TYR 42 Ca 0.00 0.78 0.06 0.00 -0.37 0.00 0.00 57.07 57.54 1pnm s TYR 42 Cb 0.00 -2.13 0.18 0.00 -0.40 0.00 0.00 41.96 39.61 1pnm s TYR 42 CO 0.00 0.68 0.63 0.34 -1.57 0.00 0.00 175.55 175.63 1pnm s ASP 43 N -1.09 -0.74 0.14 2.29 2.15 -1.09 -0.93 116.67 117.40 1pnm s ASP 43 Ca 0.20 -1.97 0.05 0.00 0.43 0.00 0.00 52.55 51.26 1pnm s ASP 43 Cb -0.15 1.34 -0.04 0.00 -0.30 0.00 0.00 42.92 43.78 1pnm s ASP 43 CO 0.10 -0.09 -0.11 0.68 -0.17 0.00 0.00 175.17 175.57 1pnm s VAL 44 N 0.77 1.24 0.01 1.11 -7.23 -0.20 -4.35 120.40 111.75 1pnm s VAL 44 Ca 0.29 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1pnm s VAL 44 Cb 0.00 -1.77 -0.01 0.00 0.56 0.00 0.00 36.38 35.17 1pnm s VAL 44 CO -0.08 -0.65 -0.02 0.42 -0.31 0.00 0.00 175.10 174.45 1pnm s THR 45 N -2.99 0.13 -4.89 5.32 -4.23 -1.00 -1.32 115.64 106.66 1pnm s THR 45 Ca 0.15 -0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.19 1pnm s THR 45 Cb 0.00 -0.19 0.00 0.00 1.34 0.00 0.00 72.50 73.65 1pnm s THR 45 CO 0.02 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 1pnm n GLY 46 N 2.36 -0.49 3.21 3.99 0.00 -1.02 -1.57 105.19 111.66 1pnm n GLY 46 Ca -0.18 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 1pnm n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pnm s ASN 47 N -4.00 0.10 -0.15 1.61 2.20 -0.09 -1.82 114.94 112.78 1pnm s ASN 47 Ca 0.00 -0.60 -0.23 0.00 -0.94 0.00 0.00 52.86 51.09 1pnm s ASN 47 Cb 0.00 0.34 0.06 0.00 -2.00 0.00 0.00 41.25 39.65 1pnm s ASN 47 CO 0.00 -0.71 0.59 0.28 -2.94 0.00 0.00 177.10 174.32 1pnm s THR 48 N -3.69 0.01 0.25 0.54 -1.32 -0.73 -2.44 115.64 108.26 1pnm s THR 48 Ca 0.04 -0.06 -0.31 0.00 -1.21 0.00 0.00 61.69 60.15 1pnm s THR 48 Cb 0.04 -0.86 -0.12 0.00 -1.51 0.00 0.00 72.50 70.05 1pnm s THR 48 CO -0.10 -0.03 1.64 -2.65 -2.21 0.00 0.00 174.62 171.27 1pnm n PRO 49 N 2.06 2.67 -2.67 7.08 -0.02 -1.26 -0.62 135.00 142.25 1pnm n PRO 49 Ca -0.16 0.96 -0.15 0.00 -2.02 0.00 0.00 63.50 62.12 1pnm n PRO 49 Cb 0.56 -2.76 -0.00 0.00 -0.02 0.00 0.00 33.50 31.28 1pnm n PRO 49 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1pnm n PHE 50 N 3.00 -1.53 -4.09 6.00 3.72 -0.97 -2.54 117.46 121.05 1pnm n PHE 50 Ca 0.12 0.13 -0.32 0.00 -0.05 0.00 0.00 57.45 57.34 1pnm n PHE 50 Cb 0.35 -2.89 -0.02 0.00 -0.94 0.00 0.00 39.48 35.98 1pnm n PHE 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pnm n ALA 51 N -2.57 -1.53 -1.54 4.37 0.00 -1.19 -4.92 120.51 113.13 1pnm n ALA 51 Ca -0.12 -0.08 -0.36 0.00 0.00 0.00 0.00 53.44 52.88 1pnm n ALA 51 Cb 0.60 -2.90 0.08 0.00 0.00 0.00 0.00 19.45 17.23 1pnm n ALA 51 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1pnm n TYR 52 N -4.43 1.33 -0.28 0.00 4.01 -1.05 -4.89 117.16 111.85 1pnm n TYR 52 Ca -0.07 0.41 0.07 0.00 -0.16 0.00 0.00 57.90 58.16 1pnm n TYR 52 Cb 0.57 -2.18 0.22 0.00 -0.31 0.00 0.00 39.34 37.64 1pnm n TYR 52 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1pnm h PRO 53 N 0.15 0.47 -5.88 -0.72 0.11 -1.94 -3.39 132.00 120.80 1pnm h PRO 53 Ca -0.49 -0.03 -0.62 0.00 0.11 0.00 0.00 66.00 64.97 1pnm h PRO 53 Cb 1.34 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.28 1pnm h PRO 53 CO 0.50 0.31 -0.26 0.20 -0.21 0.00 0.00 178.00 178.54 1pnm s GLY 54 N -3.52 2.39 -0.32 -0.55 0.00 -1.26 -4.90 107.32 99.17 1pnm s GLY 54 Ca -0.12 -0.32 -0.25 0.00 0.00 0.00 0.00 44.72 44.04 1pnm s GLY 54 CO 0.77 0.10 0.86 1.08 0.00 0.00 0.00 173.10 175.91 1pnm s LEU 55 N -0.85 4.06 0.15 0.66 1.02 -1.26 -4.88 118.68 117.56 1pnm s LEU 55 Ca 0.22 0.72 -0.05 0.00 0.02 0.00 0.00 54.13 55.03 1pnm s LEU 55 Cb -0.15 -3.18 -0.03 0.00 0.02 0.00 0.00 46.19 42.84 1pnm s LEU 55 CO 0.11 -0.69 1.37 0.58 0.02 0.00 0.00 176.35 177.73 1pnm h VAL 56 N 5.65 1.35 -3.12 -1.59 2.07 -1.90 -3.43 116.25 115.29 1pnm h VAL 56 Ca -0.23 -2.15 -0.61 0.00 0.82 0.00 0.00 66.70 64.52 1pnm h VAL 56 Cb 1.09 2.14 -0.36 0.00 -1.52 0.00 0.00 31.29 32.64 1pnm h VAL 56 CO 0.92 0.66 -0.84 -0.36 0.02 0.00 0.00 177.57 177.97 1pnm s PHE 57 N -3.58 2.23 -3.66 1.57 0.08 -1.02 -4.08 117.98 109.52 1pnm s PHE 57 Ca -0.07 -1.25 0.00 0.00 0.12 0.00 0.00 56.93 55.73 1pnm s PHE 57 Cb 0.10 -1.62 0.00 0.00 -0.57 0.00 0.00 43.02 40.92 1pnm s PHE 57 CO 0.86 -0.67 0.00 0.41 -0.10 0.00 0.00 175.22 175.72 1pnm n GLY 58 N 4.72 -1.13 3.45 4.36 0.00 -1.20 -0.92 105.19 114.47 1pnm n GLY 58 Ca -0.17 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 1pnm n GLY 58 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1pnm s HIS 59 N -3.00 0.15 -0.15 1.61 -3.43 -0.61 -1.90 115.29 107.96 1pnm s HIS 59 Ca 0.00 -0.50 0.17 0.00 -0.80 0.00 0.00 55.06 53.93 1pnm s HIS 59 Cb 0.00 0.18 0.34 0.00 -1.43 0.00 0.00 32.58 31.67 1pnm s HIS 59 CO 0.00 -0.84 1.19 0.27 -2.00 0.00 0.00 174.74 173.37 1pnm n ASN 60 N -0.29 2.35 0.00 7.38 0.23 -0.41 -2.36 115.26 122.16 1pnm n ASN 60 Ca -0.08 -3.27 0.00 0.00 -0.53 0.00 0.00 54.58 50.70 1pnm n ASN 60 Cb 0.63 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 1pnm n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pnm n GLY 61 N -1.29 2.73 0.99 4.83 0.00 -1.26 -4.70 105.19 106.48 1pnm n GLY 61 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 1pnm n GLY 61 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pnm n VAL 62 N -2.00 0.21 -4.36 1.61 0.31 -1.26 -4.84 118.33 108.01 1pnm n VAL 62 Ca 0.00 0.05 -0.19 0.00 -0.01 0.00 0.00 64.34 64.19 1pnm n VAL 62 Cb 0.00 -1.52 -0.10 0.00 -0.91 0.00 0.00 33.84 31.31 1pnm n VAL 62 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1pnm s ILE 63 N -2.01 1.83 0.09 2.52 -4.36 -1.26 -1.37 121.20 116.64 1pnm s ILE 63 Ca -0.01 -2.20 0.06 0.00 -0.26 0.00 0.00 60.65 58.24 1pnm s ILE 63 Cb 0.00 -2.05 -0.03 0.00 1.25 0.00 0.00 42.46 41.63 1pnm s ILE 63 CO 0.01 -0.54 -0.15 -0.94 0.24 0.00 0.00 174.94 173.56 1pnm s SER 64 N -3.27 1.90 0.05 4.36 1.04 -0.30 -1.29 113.70 116.18 1pnm s SER 64 Ca 0.23 -0.69 -0.01 0.00 0.48 0.00 0.00 55.95 55.95 1pnm s SER 64 Cb -0.02 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.00 1pnm s SER 64 CO 0.08 -0.08 -0.03 -1.66 0.98 0.00 0.00 173.24 172.52 1pnm s TRP 65 N -1.56 0.52 0.30 5.02 -2.14 -0.80 -2.53 118.94 117.75 1pnm s TRP 65 Ca 0.03 -1.06 -0.19 0.00 2.66 0.00 0.00 56.10 57.54 1pnm s TRP 65 Cb -0.08 -0.39 0.04 0.00 -3.10 0.00 0.00 33.47 29.95 1pnm s TRP 65 CO 0.03 -0.37 0.80 0.20 -2.66 0.00 0.00 176.95 174.95 1pnm s GLY 66 N -2.89 0.10 0.06 3.67 0.00 -0.73 -3.26 107.32 104.27 1pnm s GLY 66 Ca 0.07 -0.44 -0.05 0.00 0.00 0.00 0.00 44.72 44.29 1pnm s GLY 66 CO -0.10 0.05 0.09 -0.56 0.00 0.00 0.00 173.10 172.59 1pnm s SER 67 N -3.03 0.26 -0.06 1.64 0.01 -1.26 -0.83 113.70 110.44 1pnm s SER 67 Ca 0.14 -0.75 -0.11 0.00 1.31 0.00 0.00 55.95 56.54 1pnm s SER 67 Cb -0.05 0.27 0.02 0.00 0.21 0.00 0.00 66.02 66.47 1pnm s SER 67 CO 0.08 -0.64 0.27 0.42 0.41 0.00 0.00 173.24 173.78 1pnm s THR 68 N -3.64 0.03 0.25 1.44 -4.23 -0.84 -4.78 115.64 103.87 1pnm s THR 68 Ca 0.04 -0.26 -0.31 0.00 -1.18 0.00 0.00 61.69 59.97 1pnm s THR 68 Cb 0.05 -0.47 -0.13 0.00 1.34 0.00 0.00 72.50 73.29 1pnm s THR 68 CO -0.09 -0.14 1.46 0.00 -0.54 0.00 0.00 174.62 175.30 1pnm n ALA 69 N 2.16 1.46 0.03 3.99 0.00 -1.26 -0.66 120.51 126.23 1pnm n ALA 69 Ca -0.17 0.40 -0.19 0.00 0.00 0.00 0.00 53.44 53.49 1pnm n ALA 69 Cb 0.57 -2.32 -0.14 0.00 0.00 0.00 0.00 19.45 17.56 1pnm n ALA 69 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1pnm h GLY 70 N 4.46 0.33 -4.40 0.00 0.00 -1.63 -3.41 103.07 98.42 1pnm h GLY 70 Ca -0.45 -0.76 -0.36 0.00 0.00 0.00 0.00 47.33 45.75 1pnm h GLY 70 CO 0.77 0.67 -0.56 0.69 0.00 0.00 0.00 176.54 178.11 1pnm n PHE 71 N -4.20 -2.00 -2.01 5.60 3.72 -1.26 -4.93 117.46 112.39 1pnm n PHE 71 Ca -0.13 0.59 -0.28 0.00 -0.05 0.00 0.00 57.45 57.59 1pnm n PHE 71 Cb 0.75 -4.29 0.10 0.00 -0.94 0.00 0.00 39.48 35.10 1pnm n PHE 71 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1pnm s GLY 72 N -2.89 1.65 -0.54 1.37 0.00 -1.26 0.08 107.32 105.73 1pnm s GLY 72 Ca 0.34 -0.84 -0.19 0.00 0.00 0.00 0.00 44.72 44.03 1pnm s GLY 72 CO 0.42 -0.33 0.68 -0.35 0.00 0.00 0.00 173.10 173.52 1pnm s ASP 73 N -4.61 6.22 0.00 1.64 -1.08 -1.26 -3.97 116.67 113.61 1pnm s ASP 73 Ca 0.63 -1.03 0.00 0.00 -0.52 0.00 0.00 52.55 51.63 1pnm s ASP 73 Cb -0.10 -2.31 0.00 0.00 -1.46 0.00 0.00 42.92 39.06 1pnm s ASP 73 CO 0.48 -1.00 0.85 -0.90 0.52 0.00 0.00 175.17 175.12 1pnm n ASP 74 N 6.35 1.59 -4.02 -0.34 5.75 -1.26 -4.72 116.55 119.89 1pnm n ASP 74 Ca -0.07 -1.71 -0.26 0.00 -0.01 0.00 0.00 54.79 52.73 1pnm n ASP 74 Cb 0.45 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.37 1pnm n ASP 74 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1pnm s VAL 75 N -0.71 1.27 0.09 2.12 1.01 -1.26 -1.28 120.40 121.64 1pnm s VAL 75 Ca 0.00 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.51 1pnm s VAL 75 Cb 0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1pnm s VAL 75 CO 0.00 0.39 -0.14 -1.81 0.00 0.00 0.00 175.10 173.54 1pnm s ASP 76 N 0.92 1.80 -0.18 3.32 1.01 0.31 -4.96 116.67 118.90 1pnm s ASP 76 Ca -0.09 -0.71 -0.07 0.00 0.71 0.00 0.00 52.55 52.39 1pnm s ASP 76 Cb -0.15 -0.05 -0.04 0.00 1.01 0.00 0.00 42.92 43.68 1pnm s ASP 76 CO 0.00 -0.11 0.06 -0.63 0.21 0.00 0.00 175.17 174.70 1pnm s ILE 77 N -1.68 4.78 -0.20 0.77 1.01 -1.26 -0.54 121.20 124.07 1pnm s ILE 77 Ca 0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.59 1pnm s ILE 77 Cb -0.08 -3.15 -0.02 0.00 0.01 0.00 0.00 42.46 39.22 1pnm s ILE 77 CO 0.02 0.47 -0.01 -0.36 0.00 0.00 0.00 174.94 175.06 1pnm s PHE 78 N 0.32 3.02 -0.70 3.97 0.40 -0.24 -1.26 117.98 123.49 1pnm s PHE 78 Ca 0.03 -0.55 -0.24 0.00 -0.60 0.00 0.00 56.93 55.57 1pnm s PHE 78 Cb -0.12 -2.09 0.05 0.00 0.51 0.00 0.00 43.02 41.37 1pnm s PHE 78 CO 0.00 -0.30 1.11 0.00 0.70 0.00 0.00 175.22 176.73 1pnm s ALA 79 N 1.09 2.96 0.06 5.36 0.00 0.15 -0.59 121.76 130.79 1pnm s ALA 79 Ca 0.02 -1.65 -0.24 0.00 0.00 0.00 0.00 51.96 50.08 1pnm s ALA 79 Cb -0.14 -4.04 -0.06 0.00 0.00 0.00 0.00 23.12 18.88 1pnm s ALA 79 CO 0.01 -3.01 0.74 -1.21 0.00 0.00 0.00 175.76 172.30 1pnm s GLU 80 N 4.78 4.48 -0.43 0.00 0.41 0.21 -0.49 118.70 127.64 1pnm s GLU 80 Ca 0.28 1.03 -0.22 0.00 -0.41 0.00 0.00 54.97 55.65 1pnm s GLU 80 Cb -0.13 -3.34 0.02 0.00 -1.78 0.00 0.00 34.13 28.90 1pnm s GLU 80 CO 0.12 0.34 0.74 0.50 -0.49 0.00 0.00 175.26 176.47 1pnm s ARG 81 N -0.25 3.41 0.18 1.61 6.06 -1.26 -0.63 118.95 128.07 1pnm s ARG 81 Ca 0.37 -0.14 0.04 0.00 -2.50 0.00 0.00 55.73 53.50 1pnm s ARG 81 Cb -0.21 -3.92 -0.04 0.00 0.06 0.00 0.00 34.95 30.84 1pnm s ARG 81 CO 0.23 -1.05 0.24 -0.51 -2.50 0.00 0.00 175.30 171.71 1pnm s LEU 82 N 3.12 4.11 0.06 -0.88 1.43 -0.58 -2.01 118.68 123.92 1pnm s LEU 82 Ca 0.28 0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 1pnm s LEU 82 Cb -0.13 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 1pnm s LEU 82 CO 0.21 0.03 0.08 -0.94 0.23 0.00 0.00 176.35 175.96 1pnm s SER 83 N -3.36 5.58 0.11 2.29 1.04 -1.26 -4.84 113.70 113.26 1pnm s SER 83 Ca 0.33 0.04 -0.14 0.00 0.48 0.00 0.00 55.95 56.65 1pnm s SER 83 Cb -0.10 -1.53 -0.07 0.00 0.10 0.00 0.00 66.02 64.42 1pnm s SER 83 CO 0.27 0.20 1.45 0.00 0.98 0.00 0.00 173.24 176.14 1pnm h ALA 84 N 3.49 0.46 -4.70 5.32 0.00 -1.98 -3.41 119.26 118.45 1pnm h ALA 84 Ca -0.47 -0.38 -0.30 0.00 0.00 0.00 0.00 54.91 53.76 1pnm h ALA 84 Cb 1.17 -0.11 0.06 0.00 0.00 0.00 0.00 17.79 18.91 1pnm h ALA 84 CO 0.65 0.44 0.10 0.39 0.00 0.00 0.00 179.25 180.84 1pnm n GLU 85 N -4.28 0.01 -3.84 0.00 1.02 -1.26 -4.66 120.64 107.62 1pnm n GLU 85 Ca -0.03 -1.70 -0.31 0.00 -0.02 0.00 0.00 57.16 55.09 1pnm n GLU 85 Cb 0.44 -0.49 0.01 0.00 -0.02 0.00 0.00 31.44 31.37 1pnm n GLU 85 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1pnm n LYS 86 N -2.29 -0.91 -2.80 3.49 4.76 -1.26 -4.89 118.16 114.27 1pnm n LYS 86 Ca 0.11 0.37 -0.32 0.00 -2.87 0.00 0.00 58.31 55.60 1pnm n LYS 86 Cb 0.38 -2.03 -0.05 0.00 -1.84 0.00 0.00 35.03 31.49 1pnm n LYS 86 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1pnm s PRO 87 N -5.80 4.00 0.00 1.97 0.04 -1.26 -4.04 135.00 129.91 1pnm s PRO 87 Ca 0.19 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1pnm s PRO 87 Cb -0.11 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1pnm s PRO 87 CO 0.84 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 178.24 1pnm n GLY 88 N -0.96 0.46 3.42 0.56 0.00 -1.26 -5.02 105.19 102.38 1pnm n GLY 88 Ca 0.05 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 1pnm n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pnm s TYR 89 N -2.00 2.33 0.01 1.61 1.51 -1.26 -0.43 117.35 119.12 1pnm s TYR 89 Ca 0.00 -0.36 -0.13 0.00 -1.01 0.00 0.00 57.07 55.57 1pnm s TYR 89 Cb 0.00 -1.21 0.02 0.00 -0.11 0.00 0.00 41.96 40.65 1pnm s TYR 89 CO 0.00 0.41 0.27 1.52 -1.11 0.00 0.00 175.55 176.64 1pnm s TYR 90 N -1.33 -0.10 -0.15 2.71 1.13 0.16 -4.33 117.35 115.44 1pnm s TYR 90 Ca 0.17 0.06 -0.24 0.00 -1.41 0.00 0.00 57.07 55.66 1pnm s TYR 90 Cb -0.09 0.06 -0.02 0.00 -1.10 0.00 0.00 41.96 40.81 1pnm s TYR 90 CO 0.08 -0.42 0.74 -1.17 -2.51 0.00 0.00 175.55 172.28 1pnm s LEU 91 N -1.65 4.21 -0.15 -3.49 2.96 -0.85 0.93 118.68 120.64 1pnm s LEU 91 Ca -0.10 1.09 -0.06 0.00 -0.22 0.00 0.00 54.13 54.84 1pnm s LEU 91 Cb -0.04 -3.10 0.07 0.00 0.50 0.00 0.00 46.19 43.62 1pnm s LEU 91 CO 0.01 -0.29 0.31 -2.28 -1.32 0.00 0.00 176.35 172.78 1pnm s HIS 92 N 1.72 -0.52 -1.21 5.38 2.46 -0.27 -4.20 115.29 118.65 1pnm s HIS 92 Ca 0.36 1.11 -0.19 0.00 0.47 0.00 0.00 55.06 56.81 1pnm s HIS 92 Cb -0.17 0.09 0.00 0.00 -0.13 0.00 0.00 32.58 32.38 1pnm s HIS 92 CO 0.13 -0.36 0.69 0.09 -2.47 0.00 0.00 174.74 172.82 1pnm n ASN 93 N 5.05 -4.00 -2.62 9.88 5.03 -0.84 -2.28 115.26 125.47 1pnm n ASN 93 Ca -0.12 -1.07 -0.17 0.00 0.87 0.00 0.00 54.58 54.09 1pnm n ASN 93 Cb 0.51 -2.99 -0.00 0.00 -1.02 0.00 0.00 39.78 36.28 1pnm n ASN 93 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1pnm n GLY 94 N -1.83 -0.50 2.98 7.41 0.00 -1.26 -5.00 105.19 106.98 1pnm n GLY 94 Ca -0.14 0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 1pnm n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pnm s LYS 95 N -5.24 0.30 -0.44 1.61 1.02 -0.97 -5.11 119.74 110.91 1pnm s LYS 95 Ca 0.09 -0.55 -0.22 0.00 0.02 0.00 0.00 55.97 55.31 1pnm s LYS 95 Cb -0.04 0.04 0.02 0.00 -0.52 0.00 0.00 37.83 37.34 1pnm s LYS 95 CO 0.11 -0.03 0.72 -1.58 -0.92 0.00 0.00 175.35 173.65 1pnm s TRP 96 N -1.26 3.03 -0.08 3.18 0.52 -1.26 -1.12 118.94 121.95 1pnm s TRP 96 Ca -0.13 0.07 -0.10 0.00 0.02 0.00 0.00 56.10 55.96 1pnm s TRP 96 Cb -0.09 -3.52 -0.05 0.00 -1.15 0.00 0.00 33.47 28.67 1pnm s TRP 96 CO -0.01 -0.93 0.24 0.08 0.02 0.00 0.00 176.95 176.35 1pnm s VAL 97 N 3.08 5.33 0.13 4.03 1.01 0.26 -4.83 120.40 129.41 1pnm s VAL 97 Ca 0.27 0.44 -0.22 0.00 0.00 0.00 0.00 61.98 62.47 1pnm s VAL 97 Cb -0.13 -3.52 -0.07 0.00 0.00 0.00 0.00 36.38 32.66 1pnm s VAL 97 CO 0.21 0.60 0.67 -0.75 0.00 0.00 0.00 175.10 175.83 1pnm s LYS 98 N -0.99 4.36 0.43 2.72 2.20 -1.26 0.39 119.74 127.59 1pnm s LYS 98 Ca 0.18 0.93 -0.15 0.00 -0.36 0.00 0.00 55.97 56.57 1pnm s LYS 98 Cb -0.14 -3.21 -0.08 0.00 -1.51 0.00 0.00 37.83 32.89 1pnm s LYS 98 CO 0.07 0.59 0.86 -1.64 -0.36 0.00 0.00 175.35 174.87 1pnm s MET 99 N -1.22 3.95 0.23 4.03 -1.94 0.42 -4.96 119.30 119.82 1pnm s MET 99 Ca 0.33 0.76 -0.22 0.00 -1.71 0.00 0.00 55.69 54.86 1pnm s MET 99 Cb -0.21 -2.29 -0.08 0.00 2.01 0.00 0.00 34.83 34.26 1pnm s MET 99 CO 0.22 -0.07 0.77 -0.51 -0.01 0.00 0.00 175.02 175.42 1pnm s LEU 100 N -3.64 4.38 0.05 -0.03 1.43 0.20 -4.91 118.68 116.16 1pnm s LEU 100 Ca 0.56 1.52 -0.08 0.00 -1.03 0.00 0.00 54.13 55.10 1pnm s LEU 100 Cb -0.10 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.50 1pnm s LEU 100 CO 0.26 0.04 0.16 -0.94 0.23 0.00 0.00 176.35 176.10 1pnm s SER 101 N -1.57 0.10 -0.12 2.29 1.04 -1.26 0.24 113.70 114.42 1pnm s SER 101 Ca 0.43 -0.47 -0.11 0.00 0.48 0.00 0.00 55.95 56.28 1pnm s SER 101 Cb -0.18 0.28 0.03 0.00 0.10 0.00 0.00 66.02 66.25 1pnm s SER 101 CO 0.22 -0.57 0.32 0.00 0.98 0.00 0.00 173.24 174.19 1pnm s ARG 102 N -2.79 0.38 0.08 4.02 1.70 -0.19 -4.97 118.95 117.18 1pnm s ARG 102 Ca -0.03 0.43 -0.08 0.00 -0.47 0.00 0.00 55.73 55.58 1pnm s ARG 102 Cb -0.00 0.18 -0.05 0.00 -0.57 0.00 0.00 34.95 34.51 1pnm s ARG 102 CO -0.05 -0.05 0.37 -1.21 -1.08 0.00 0.00 175.30 173.28 1pnm s GLU 103 N 0.14 3.68 -0.02 3.89 2.02 -1.26 -1.26 118.70 125.89 1pnm s GLU 103 Ca -0.00 0.04 0.03 0.00 0.02 0.00 0.00 54.97 55.06 1pnm s GLU 103 Cb -0.02 -2.97 -0.00 0.00 0.10 0.00 0.00 34.13 31.24 1pnm s GLU 103 CO 0.01 0.55 -0.10 -1.21 0.02 0.00 0.00 175.26 174.53 1pnm s GLU 104 N -2.10 0.96 -0.18 1.61 0.41 0.32 -4.97 118.70 114.75 1pnm s GLU 104 Ca 0.34 -0.35 -0.01 0.00 -0.41 0.00 0.00 54.97 54.54 1pnm s GLU 104 Cb -0.13 -0.91 -0.00 0.00 -1.78 0.00 0.00 34.13 31.31 1pnm s GLU 104 CO 0.20 0.16 -0.11 0.99 -0.49 0.00 0.00 175.26 176.00 1pnm s THR 105 N 0.02 2.92 -0.38 3.63 2.01 -1.26 -0.57 115.64 122.00 1pnm s THR 105 Ca -0.00 -0.67 -0.17 0.00 0.31 0.00 0.00 61.69 61.16 1pnm s THR 105 Cb -0.07 -2.27 0.01 0.00 0.01 0.00 0.00 72.50 70.18 1pnm s THR 105 CO 0.00 0.49 0.45 -0.63 -0.69 0.00 0.00 174.62 174.24 1pnm s ILE 106 N 1.06 5.07 0.02 1.82 -1.09 0.52 -4.92 121.20 123.67 1pnm s ILE 106 Ca -0.00 -0.04 -0.23 0.00 -2.23 0.00 0.00 60.65 58.15 1pnm s ILE 106 Cb -0.15 -3.97 -0.05 0.00 -1.58 0.00 0.00 42.46 36.71 1pnm s ILE 106 CO -0.02 -0.30 0.68 -0.89 -1.23 0.00 0.00 174.94 173.18 1pnm s THR 107 N 2.22 4.82 -0.18 2.92 2.01 -1.26 -0.68 115.64 125.49 1pnm s THR 107 Ca 0.14 1.44 0.00 0.00 0.31 0.00 0.00 61.69 63.58 1pnm s THR 107 Cb -0.16 -4.02 0.01 0.00 0.01 0.00 0.00 72.50 68.34 1pnm s THR 107 CO 0.13 0.39 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.59 1pnm s VAL 108 N -0.13 2.32 -0.01 3.82 1.01 -1.26 -5.00 120.40 121.14 1pnm s VAL 108 Ca 0.35 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 1pnm s VAL 108 Cb -0.19 -1.98 -0.08 0.00 0.00 0.00 0.00 36.38 34.13 1pnm s VAL 108 CO 0.20 0.52 1.92 -0.75 0.00 0.00 0.00 175.10 176.99 1pnm s LYS 109 N 1.23 4.04 -1.19 2.72 2.47 -1.26 -2.48 119.74 125.27 1pnm s LYS 109 Ca 0.03 2.45 -0.04 0.00 -1.56 0.00 0.00 55.97 56.85 1pnm s LYS 109 Cb -0.14 -4.15 0.00 0.00 -1.46 0.00 0.00 37.83 32.09 1pnm s LYS 109 CO -0.09 -1.05 0.53 0.09 0.16 0.00 0.00 175.35 174.99 1pnm n ASN 110 N 7.88 -5.16 -3.03 1.43 5.03 -1.26 -4.99 115.26 115.16 1pnm n ASN 110 Ca 0.20 -0.25 -0.11 0.00 0.87 0.00 0.00 54.58 55.29 1pnm n ASN 110 Cb 0.42 -3.97 0.00 0.00 -1.02 0.00 0.00 39.78 35.21 1pnm n ASN 110 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1pnm s GLY 111 N -2.84 0.77 0.61 7.41 0.00 -1.04 -5.15 107.32 107.09 1pnm s GLY 111 Ca 0.26 -1.03 -0.13 0.00 0.00 0.00 0.00 44.72 43.83 1pnm s GLY 111 CO 0.33 -0.55 1.04 1.20 0.00 0.00 0.00 173.10 175.11 1pnm s GLN 112 N -2.56 3.40 0.59 2.90 -0.21 -1.26 -4.62 119.66 117.91 1pnm s GLN 112 Ca 0.21 0.97 -0.09 0.00 0.02 0.00 0.00 55.36 56.47 1pnm s GLN 112 Cb -0.03 -2.05 -0.03 0.00 1.00 0.00 0.00 33.01 31.90 1pnm s GLN 112 CO 0.15 -0.73 0.96 0.00 -2.12 0.00 0.00 175.29 173.55 1pnm s ALA 113 N -2.85 3.18 -0.02 6.09 0.00 -1.26 -4.40 121.76 122.50 1pnm s ALA 113 Ca 0.59 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.24 1pnm s ALA 113 Cb -0.13 -2.88 0.01 0.00 0.00 0.00 0.00 23.12 20.12 1pnm s ALA 113 CO 0.45 -0.68 -0.02 -1.21 0.00 0.00 0.00 175.76 174.30 1pnm s GLU 114 N -5.07 0.40 0.11 0.00 2.02 0.15 -4.95 118.70 111.36 1pnm s GLU 114 Ca 0.53 -0.04 0.11 0.00 0.02 0.00 0.00 54.97 55.58 1pnm s GLU 114 Cb -0.11 -0.47 -0.04 0.00 0.10 0.00 0.00 34.13 33.61 1pnm s GLU 114 CO 0.50 -0.04 -0.27 0.95 0.02 0.00 0.00 175.26 176.43 1pnm s THR 115 N 0.55 2.22 0.24 3.63 -4.23 -1.26 0.20 115.64 116.99 1pnm s THR 115 Ca -0.06 -1.67 -0.15 0.00 -1.18 0.00 0.00 61.69 58.63 1pnm s THR 115 Cb -0.09 -1.95 0.01 0.00 1.34 0.00 0.00 72.50 71.80 1pnm s THR 115 CO -0.01 0.15 0.52 0.72 -0.54 0.00 0.00 174.62 175.46 1pnm s PHE 116 N -1.00 0.18 -0.00 3.99 -0.71 0.26 -4.97 117.98 115.72 1pnm s PHE 116 Ca 0.13 -0.55 0.06 0.00 -1.04 0.00 0.00 56.93 55.53 1pnm s PHE 116 Cb -0.10 0.30 -0.03 0.00 -1.21 0.00 0.00 43.02 41.99 1pnm s PHE 116 CO 0.05 -1.00 -0.18 0.99 -1.34 0.00 0.00 175.22 173.74 1pnm s THR 117 N -3.97 2.78 -0.11 -4.49 2.01 -1.26 0.12 115.64 110.73 1pnm s THR 117 Ca 0.18 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.20 1pnm s THR 117 Cb -0.01 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.37 1pnm s THR 117 CO 0.06 0.48 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.64 1pnm s VAL 118 N -0.80 3.02 0.08 3.82 1.01 -0.39 -4.95 120.40 122.20 1pnm s VAL 118 Ca 0.13 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.49 1pnm s VAL 118 Cb -0.10 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1pnm s VAL 118 CO 0.02 0.54 -0.15 0.26 0.00 0.00 0.00 175.10 175.78 1pnm s TRP 119 N 0.05 2.62 -0.03 5.22 0.52 -1.26 -1.02 118.94 125.04 1pnm s TRP 119 Ca -0.05 -0.22 -0.10 0.00 0.02 0.00 0.00 56.10 55.75 1pnm s TRP 119 Cb -0.15 -1.43 0.02 0.00 -1.15 0.00 0.00 33.47 30.76 1pnm s TRP 119 CO 0.04 0.35 0.23 0.50 0.02 0.00 0.00 176.95 178.09 1pnm s ARG 120 N -1.86 0.48 0.35 4.98 3.52 0.14 -0.74 118.95 125.80 1pnm s ARG 120 Ca 0.18 -0.09 0.01 0.00 -0.13 0.00 0.00 55.73 55.70 1pnm s ARG 120 Cb -0.11 0.21 -0.00 0.00 -1.56 0.00 0.00 34.95 33.49 1pnm s ARG 120 CO 0.09 -0.11 0.05 0.25 -0.81 0.00 0.00 175.30 174.77 1pnm n THR 121 N 1.89 0.00 0.12 4.11 -2.24 -0.82 -0.63 114.28 116.71 1pnm n THR 121 Ca -0.19 -1.77 0.13 0.00 -2.27 0.00 0.00 64.05 59.95 1pnm n THR 121 Cb 0.57 0.47 0.64 0.00 -2.10 0.00 0.00 70.33 69.91 1pnm n THR 121 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1pnm h VAL 122 N 1.32 0.89 0.17 2.28 3.04 -2.00 -2.55 116.25 119.42 1pnm h VAL 122 Ca -0.28 -0.02 -0.31 0.00 -1.01 0.00 0.00 66.70 65.08 1pnm h VAL 122 Cb 0.93 0.83 0.01 0.00 -2.01 0.00 0.00 31.29 31.05 1pnm h VAL 122 CO 0.46 0.01 -1.43 0.45 -1.01 0.00 0.00 177.57 176.05 1pnm h HIS 123 N 0.06 0.67 0.00 3.17 3.86 -1.95 -3.51 115.15 117.45 1pnm h HIS 123 Ca 0.13 -0.49 0.00 0.00 -1.16 0.00 0.00 60.37 58.85 1pnm h HIS 123 Cb 0.44 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1pnm h HIS 123 CO -0.00 1.43 0.00 0.41 0.86 0.00 0.00 177.93 180.63 1pnm n GLY 124 N 1.65 -0.82 3.77 2.45 0.00 -0.96 -3.88 105.19 107.41 1pnm n GLY 124 Ca -0.14 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.09 1pnm n GLY 124 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pnm s ASN 125 N -3.74 5.86 -0.11 1.61 -0.87 -1.26 -1.95 114.94 114.49 1pnm s ASN 125 Ca 0.00 2.30 -0.30 0.00 -1.57 0.00 0.00 52.86 53.30 1pnm s ASN 125 Cb 0.00 -2.60 -0.01 0.00 -0.02 0.00 0.00 41.25 38.62 1pnm s ASN 125 CO 0.00 -1.13 1.06 -0.63 -2.57 0.00 0.00 177.10 173.83 1pnm s ILE 126 N -1.61 4.64 -0.09 0.60 -1.09 0.08 -1.90 121.20 121.83 1pnm s ILE 126 Ca 0.69 1.93 -0.09 0.00 -2.23 0.00 0.00 60.65 60.94 1pnm s ILE 126 Cb -0.28 -4.24 -0.07 0.00 -1.58 0.00 0.00 42.46 36.29 1pnm s ILE 126 CO 0.33 -0.02 0.32 -0.07 -1.23 0.00 0.00 174.94 174.27 1pnm h LEU 127 N 8.25 -0.10 -7.25 2.97 3.38 -0.63 -3.45 115.31 118.49 1pnm h LEU 127 Ca -0.30 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.42 1pnm h LEU 127 Cb 1.14 0.03 -0.15 0.00 0.09 0.00 0.00 40.66 41.77 1pnm h LEU 127 CO 0.88 0.47 0.02 0.00 0.09 0.00 0.00 178.44 179.90 1pnm s GLN 128 N -2.16 1.07 0.04 1.13 -2.07 -1.25 -5.01 119.66 111.42 1pnm s GLN 128 Ca -0.06 -0.42 0.05 0.00 -1.82 0.00 0.00 55.36 53.11 1pnm s GLN 128 Cb -0.00 0.48 -0.02 0.00 -1.09 0.00 0.00 33.01 32.38 1pnm s GLN 128 CO 0.20 -0.41 -0.14 0.95 -1.32 0.00 0.00 175.29 174.57 1pnm s THR 129 N -3.02 1.11 -0.33 3.63 -4.23 -1.26 0.16 115.64 111.69 1pnm s THR 129 Ca -0.02 -1.01 0.02 0.00 -1.18 0.00 0.00 61.69 59.50 1pnm s THR 129 Cb -0.00 -1.01 0.10 0.00 1.34 0.00 0.00 72.50 72.93 1pnm s THR 129 CO -0.06 -0.01 0.07 -0.62 -0.54 0.00 0.00 174.62 173.46 1pnm s ASP 130 N -1.17 4.45 0.00 3.99 -1.08 0.40 -4.97 116.67 118.30 1pnm s ASP 130 Ca 0.01 -1.93 0.29 0.00 -0.52 0.00 0.00 52.55 50.40 1pnm s ASP 130 Cb -0.08 -1.31 1.25 0.00 -1.46 0.00 0.00 42.92 41.33 1pnm s ASP 130 CO 0.01 -0.39 1.93 0.00 0.52 0.00 0.00 175.17 177.24 1pnm n GLN 131 N 4.50 0.03 0.05 4.34 6.02 -1.26 0.34 117.38 131.41 1pnm n GLN 131 Ca 0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.87 1pnm n GLN 131 Cb 0.42 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 30.04 1pnm n GLN 131 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1pnm h THR 132 N 0.00 1.24 0.01 5.09 1.35 -1.94 -3.32 112.91 115.35 1pnm h THR 132 Ca 0.00 -2.92 -0.35 0.00 -0.55 0.00 0.00 66.41 62.60 1pnm h THR 132 Cb 0.48 2.75 -0.06 0.00 -1.73 0.00 0.00 68.15 69.59 1pnm h THR 132 CO 0.00 0.81 -2.14 0.41 -0.25 0.00 0.00 175.52 174.35 1pnm n THR 133 N -3.39 1.52 -1.92 6.82 -1.04 -1.14 -4.99 114.28 110.14 1pnm n THR 133 Ca -0.13 -0.77 -0.01 0.00 -2.04 0.00 0.00 64.05 61.10 1pnm n THR 133 Cb 1.02 -0.94 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 1pnm n THR 133 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pnm n GLN 134 N -3.01 -0.27 -4.89 -2.82 1.13 0.14 -4.94 117.38 102.73 1pnm n GLN 134 Ca -0.30 0.04 -0.26 0.00 -1.94 0.00 0.00 57.00 54.55 1pnm n GLN 134 Cb 1.09 -2.38 -0.15 0.00 0.11 0.00 0.00 30.24 28.91 1pnm n GLN 134 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1pnm s THR 135 N -3.02 1.46 -0.01 5.09 2.01 0.15 -1.52 115.64 119.80 1pnm s THR 135 Ca 0.01 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.26 1pnm s THR 135 Cb -0.00 -1.21 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 1pnm s THR 135 CO 0.04 0.41 -0.11 0.00 -0.69 0.00 0.00 174.62 174.27 1pnm s ALA 136 N -0.40 0.97 -0.24 7.40 0.00 0.20 0.15 121.76 129.84 1pnm s ALA 136 Ca 0.06 -0.49 -0.11 0.00 0.00 0.00 0.00 51.96 51.43 1pnm s ALA 136 Cb -0.07 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.74 1pnm s ALA 136 CO -0.01 0.23 0.19 0.71 0.00 0.00 0.00 175.76 176.88 1pnm s TYR 137 N -0.21 3.32 -0.14 0.00 2.02 0.42 0.65 117.35 123.41 1pnm s TYR 137 Ca 0.03 0.27 -0.02 0.00 -0.37 0.00 0.00 57.07 56.98 1pnm s TYR 137 Cb -0.05 -2.30 -0.03 0.00 -0.40 0.00 0.00 41.96 39.18 1pnm s TYR 137 CO -0.00 0.05 -0.06 0.00 -1.57 0.00 0.00 175.55 173.97 1pnm s ALA 138 N 1.10 2.94 -0.36 3.71 0.00 0.25 0.16 121.76 129.56 1pnm s ALA 138 Ca 0.09 -0.84 -0.23 0.00 0.00 0.00 0.00 51.96 50.98 1pnm s ALA 138 Cb -0.14 -1.45 0.01 0.00 0.00 0.00 0.00 23.12 21.54 1pnm s ALA 138 CO 0.05 0.28 0.76 0.21 0.00 0.00 0.00 175.76 177.06 1pnm s LYS 139 N 0.17 3.73 -0.27 0.00 2.20 -0.80 -1.07 119.74 123.70 1pnm s LYS 139 Ca -0.03 0.26 -0.08 0.00 -0.36 0.00 0.00 55.97 55.77 1pnm s LYS 139 Cb -0.14 -3.81 -0.02 0.00 -1.51 0.00 0.00 37.83 32.35 1pnm s LYS 139 CO 0.03 -0.83 0.09 0.45 -0.36 0.00 0.00 175.35 174.72 1pnm s SER 140 N 1.83 5.19 -0.16 1.43 0.15 0.30 -4.01 113.70 118.43 1pnm s SER 140 Ca 0.30 -0.39 -0.07 0.00 0.70 0.00 0.00 55.95 56.49 1pnm s SER 140 Cb -0.13 -1.92 -0.04 0.00 -1.71 0.00 0.00 66.02 62.21 1pnm s SER 140 CO 0.17 -0.10 0.08 -0.13 1.20 0.00 0.00 173.24 174.45 1pnm s ARG 141 N 1.58 3.77 0.51 5.44 0.52 -1.26 -0.53 118.95 128.99 1pnm s ARG 141 Ca 0.05 -0.29 0.27 0.00 -0.52 0.00 0.00 55.73 55.25 1pnm s ARG 141 Cb -0.16 -3.19 1.37 0.00 0.52 0.00 0.00 34.95 33.50 1pnm s ARG 141 CO 0.04 0.44 2.03 0.00 0.02 0.00 0.00 175.30 177.82 1pnm h ALA 142 N 6.13 1.21 -0.42 2.13 0.00 -1.47 -2.17 119.26 124.67 1pnm h ALA 142 Ca -0.43 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1pnm h ALA 142 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1pnm h ALA 142 CO 0.67 0.17 0.00 -2.67 0.00 0.00 0.00 179.25 177.41 1pnm n TRP 143 N -3.55 0.55 -1.68 0.00 4.27 -1.26 -4.85 117.44 110.91 1pnm n TRP 143 Ca -0.01 -0.27 -0.44 0.00 -3.89 0.00 0.00 57.50 52.88 1pnm n TRP 143 Cb 0.27 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.19 1pnm n TRP 143 CO 0.00 0.00 0.00 -3.47 -2.29 0.00 0.00 177.69 171.93 1pnm n ASP 144 N 0.96 3.79 0.00 -0.67 -0.08 -0.82 -2.11 116.55 117.62 1pnm n ASP 144 Ca 0.17 0.99 0.00 0.00 -1.51 0.00 0.00 54.79 54.45 1pnm n ASP 144 Cb 0.45 -1.49 0.00 0.00 2.34 0.00 0.00 41.12 42.41 1pnm n ASP 144 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pnm n GLY 145 N 4.15 0.59 0.08 0.27 0.00 -1.26 -4.89 105.19 104.13 1pnm n GLY 145 Ca 0.19 -0.29 0.01 0.00 0.00 0.00 0.00 46.02 45.93 1pnm n GLY 145 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pnm n LYS 146 N -2.76 1.14 0.19 1.61 5.02 -0.90 -4.82 118.16 117.65 1pnm n LYS 146 Ca 0.00 -1.13 -0.15 0.00 -2.02 0.00 0.00 58.31 55.01 1pnm n LYS 146 Cb 0.00 -0.78 -0.08 0.00 -0.02 0.00 0.00 35.03 34.16 1pnm n LYS 146 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1pnm h GLU 147 N 0.00 -0.45 -0.55 1.97 3.07 -1.91 -1.60 114.58 115.11 1pnm h GLU 147 Ca 0.00 0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.86 1pnm h GLU 147 Cb 0.89 0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.88 1pnm h GLU 147 CO 0.00 -0.30 0.23 0.28 -1.40 0.00 0.00 179.01 177.82 1pnm h VAL 148 N -0.47 1.22 -0.16 3.13 2.07 -1.95 -2.49 116.25 117.60 1pnm h VAL 148 Ca -0.03 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.84 1pnm h VAL 148 Cb 0.38 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1pnm h VAL 148 CO 0.04 0.26 0.11 0.00 0.02 0.00 0.00 177.57 178.00 1pnm h ALA 149 N 1.07 1.99 -0.36 1.67 0.00 -1.87 -2.40 119.26 119.36 1pnm h ALA 149 Ca 0.18 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1pnm h ALA 149 Cb 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1pnm h ALA 149 CO -0.02 -0.02 -0.09 0.77 0.00 0.00 0.00 179.25 179.90 1pnm h SER 150 N 0.13 0.70 -0.08 0.00 0.02 -0.84 -0.43 113.55 113.06 1pnm h SER 150 Ca 0.07 -0.36 0.02 0.00 -0.84 0.00 0.00 61.79 60.68 1pnm h SER 150 Cb 0.11 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1pnm h SER 150 CO -0.01 0.90 -0.06 0.25 -1.14 0.00 0.00 176.83 176.78 1pnm h LEU 151 N 0.49 -0.18 -0.74 5.07 6.46 -1.21 -2.30 115.31 122.90 1pnm h LEU 151 Ca 0.09 0.04 -0.10 0.00 -0.12 0.00 0.00 57.88 57.79 1pnm h LEU 151 Cb 0.60 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.60 1pnm h LEU 151 CO 0.04 -0.08 -0.10 -0.07 -0.62 0.00 0.00 178.44 177.61 1pnm h LEU 152 N -0.06 0.85 -0.88 2.25 3.38 -1.42 -2.34 115.31 117.08 1pnm h LEU 152 Ca 0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1pnm h LEU 152 Cb 0.14 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1pnm h LEU 152 CO -0.12 0.97 0.52 0.00 0.09 0.00 0.00 178.44 179.90 1pnm h ALA 153 N 1.11 1.13 -0.10 1.53 0.00 -0.88 -0.51 119.26 121.54 1pnm h ALA 153 Ca 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1pnm h ALA 153 Cb 0.61 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1pnm h ALA 153 CO 0.04 0.60 -0.07 2.35 0.00 0.00 0.00 179.25 182.17 1pnm h TRP 154 N 1.22 0.15 0.01 0.00 2.91 -1.11 -2.71 115.95 116.42 1pnm h TRP 154 Ca 0.31 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.33 1pnm h TRP 154 Cb -0.02 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 28.58 1pnm h TRP 154 CO 0.00 0.23 -0.00 1.15 -1.03 0.00 0.00 178.44 178.79 1pnm h THR 155 N 0.15 1.09 0.00 2.65 2.02 -0.89 -3.38 112.91 114.54 1pnm h THR 155 Ca 0.03 -1.79 -0.01 0.00 0.77 0.00 0.00 66.41 65.41 1pnm h THR 155 Cb 0.23 2.05 -0.00 0.00 -1.74 0.00 0.00 68.15 68.69 1pnm h THR 155 CO 0.01 0.37 -0.02 0.45 0.37 0.00 0.00 175.52 176.69 1pnm h HIS 156 N -0.99 0.00 0.00 3.16 3.86 -1.12 -2.56 115.15 117.50 1pnm h HIS 156 Ca -0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 1pnm h HIS 156 Cb 0.61 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 1pnm h HIS 156 CO 0.17 0.02 -0.32 -0.56 0.86 0.00 0.00 177.93 178.10 1pnm h GLN 157 N 0.00 0.00 0.00 2.45 -0.00 -1.66 -2.93 115.11 112.97 1pnm h GLN 157 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1pnm h GLN 157 Cb 0.27 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.75 1pnm h GLN 157 CO 0.00 0.32 -0.01 0.52 -0.00 0.00 0.00 178.83 179.67 1pnm h MET 158 N 0.00 0.00 0.00 0.06 2.86 -1.65 -1.91 114.93 114.29 1pnm h MET 158 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1pnm h MET 158 Cb 0.79 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.45 1pnm h MET 158 CO 0.04 0.01 -0.33 1.63 1.06 0.00 0.00 176.91 179.32 1pnm n LYS 159 N -4.36 0.16 -1.74 1.72 5.02 -1.10 -4.72 118.16 113.14 1pnm n LYS 159 Ca -0.03 0.08 -0.38 0.00 -2.02 0.00 0.00 58.31 55.96 1pnm n LYS 159 Cb 0.10 -1.63 0.06 0.00 -0.02 0.00 0.00 35.03 33.53 1pnm n LYS 159 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pnm n ALA 160 N -1.68 1.41 -0.10 7.82 0.00 -0.72 -4.94 120.51 122.30 1pnm n ALA 160 Ca 0.05 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1pnm n ALA 160 Cb 0.39 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.50 1pnm n ALA 160 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pnm n LYS 161 N -1.42 0.49 -3.84 0.00 5.02 -1.26 -4.68 118.16 112.45 1pnm n LYS 161 Ca 0.13 -0.35 -0.09 0.00 -2.02 0.00 0.00 58.31 55.98 1pnm n LYS 161 Cb 0.46 -0.84 0.01 0.00 -0.02 0.00 0.00 35.03 34.64 1pnm n LYS 161 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1pnm s ASN 162 N -0.17 -0.01 0.14 4.39 2.20 -1.26 -4.82 114.94 115.40 1pnm s ASN 162 Ca 0.00 -1.02 -0.16 0.00 -0.94 0.00 0.00 52.86 50.73 1pnm s ASN 162 Cb 0.00 0.80 0.00 0.00 -2.00 0.00 0.00 41.25 40.05 1pnm s ASN 162 CO 0.00 -1.56 1.75 -0.25 -2.94 0.00 0.00 177.10 174.10 1pnm h TRP 163 N 2.01 0.53 -0.04 1.54 2.91 -1.98 0.17 115.95 121.11 1pnm h TRP 163 Ca -0.28 -0.01 0.03 0.00 1.13 0.00 0.00 58.89 59.76 1pnm h TRP 163 Cb 1.25 -0.17 -0.04 0.00 -0.51 0.00 0.00 29.16 29.69 1pnm h TRP 163 CO 1.11 0.41 -0.18 1.96 -1.03 0.00 0.00 178.44 180.70 1pnm h GLN 164 N 0.50 -0.27 -0.40 2.65 4.20 -1.99 0.47 115.11 120.28 1pnm h GLN 164 Ca 0.14 0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.72 1pnm h GLN 164 Cb 0.05 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1pnm h GLN 164 CO -0.02 -0.18 -0.32 0.93 -0.67 0.00 0.00 178.83 178.56 1pnm h GLU 165 N -0.28 0.92 -0.31 1.46 5.08 -1.91 -2.95 114.58 116.59 1pnm h GLU 165 Ca 0.07 -0.46 0.03 0.00 -1.00 0.00 0.00 59.36 58.00 1pnm h GLU 165 Cb 0.37 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1pnm h GLU 165 CO -0.20 1.11 0.13 2.35 -1.00 0.00 0.00 179.01 181.40 1pnm h TRP 166 N 0.74 0.23 0.00 4.33 7.01 -0.19 -2.64 115.95 125.43 1pnm h TRP 166 Ca 0.07 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 1pnm h TRP 166 Cb 0.91 -0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.91 1pnm h TRP 166 CO 0.06 0.11 -0.05 1.79 -2.79 0.00 0.00 178.44 177.56 1pnm h THR 167 N 0.27 0.16 -0.33 2.65 1.35 -0.06 -1.53 112.91 115.43 1pnm h THR 167 Ca 0.13 -0.52 -0.03 0.00 -0.55 0.00 0.00 66.41 65.44 1pnm h THR 167 Cb 0.08 1.44 -0.02 0.00 -1.73 0.00 0.00 68.15 67.93 1pnm h THR 167 CO -0.12 0.05 0.06 1.56 -0.25 0.00 0.00 175.52 176.82 1pnm h GLN 168 N 0.00 0.48 0.15 4.72 4.20 -1.29 -0.96 115.11 122.41 1pnm h GLN 168 Ca -0.00 -0.08 -0.29 0.00 0.06 0.00 0.00 58.65 58.34 1pnm h GLN 168 Cb 0.44 -0.08 0.02 0.00 0.30 0.00 0.00 27.48 28.15 1pnm h GLN 168 CO 0.01 0.46 -1.27 1.96 -0.67 0.00 0.00 178.83 179.31 1pnm h GLN 169 N 0.47 0.39 -0.90 1.46 1.08 -1.32 -3.32 115.11 112.97 1pnm h GLN 169 Ca 0.11 -0.62 0.01 0.00 -1.45 0.00 0.00 58.65 56.70 1pnm h GLN 169 Cb 0.21 0.22 -0.04 0.00 -0.05 0.00 0.00 27.48 27.82 1pnm h GLN 169 CO -0.00 1.28 0.60 0.00 -0.95 0.00 0.00 178.83 179.76 1pnm h ALA 170 N 0.46 1.36 0.00 3.87 0.00 -0.72 -1.32 119.26 122.91 1pnm h ALA 170 Ca -0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1pnm h ALA 170 Cb 1.98 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1pnm h ALA 170 CO 0.22 0.60 0.00 0.00 0.00 0.00 0.00 179.25 180.07 1pnm h ALA 171 N 1.44 1.00 -0.01 0.00 0.00 -1.29 -2.31 119.26 118.08 1pnm h ALA 171 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1pnm h ALA 171 Cb -0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1pnm h ALA 171 CO -0.07 0.00 -0.58 1.63 0.00 0.00 0.00 179.25 180.23 1pnm n LYS 172 N -2.98 1.19 -2.81 0.00 5.02 -0.51 -4.86 118.16 113.21 1pnm n LYS 172 Ca -0.03 -0.62 -0.42 0.00 -2.02 0.00 0.00 58.31 55.21 1pnm n LYS 172 Cb 0.07 -1.40 -0.04 0.00 -0.02 0.00 0.00 35.03 33.64 1pnm n LYS 172 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1pnm s GLN 173 N -2.43 3.92 0.00 1.97 -0.44 -0.87 -4.13 119.66 117.69 1pnm s GLN 173 Ca 0.13 0.69 0.23 0.00 -2.50 0.00 0.00 55.36 53.91 1pnm s GLN 173 Cb 0.15 -3.77 0.14 0.00 -1.64 0.00 0.00 33.01 27.90 1pnm s GLN 173 CO 0.60 -0.86 1.16 0.00 0.50 0.00 0.00 175.29 176.69 1pnm n ALA 174 N 6.63 3.96 -2.10 1.58 0.00 -1.26 -2.53 120.51 126.79 1pnm n ALA 174 Ca 0.07 -0.52 -0.30 0.00 0.00 0.00 0.00 53.44 52.69 1pnm n ALA 174 Cb 0.48 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.99 1pnm n ALA 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pnm s LEU 175 N -2.81 3.71 -0.94 0.00 1.43 -1.26 -1.45 118.68 117.37 1pnm s LEU 175 Ca 0.14 1.22 -0.24 0.00 -1.03 0.00 0.00 54.13 54.21 1pnm s LEU 175 Cb 0.17 -4.13 0.03 0.00 0.03 0.00 0.00 46.19 42.29 1pnm s LEU 175 CO 0.71 -0.50 1.53 0.28 0.23 0.00 0.00 176.35 178.60 1pnm s THR 176 N -2.54 3.78 -0.00 5.49 -1.32 -1.26 -3.35 115.64 116.44 1pnm s THR 176 Ca 0.53 -0.46 0.00 0.00 -1.21 0.00 0.00 61.69 60.55 1pnm s THR 176 Cb -0.10 -4.80 -0.00 0.00 -1.51 0.00 0.00 72.50 66.09 1pnm s THR 176 CO 0.35 -1.70 -0.01 -0.63 -2.21 0.00 0.00 174.62 170.42 1pnm s ILE 177 N 6.20 0.08 -0.05 5.08 -1.09 -1.11 -1.72 121.20 128.60 1pnm s ILE 177 Ca 0.50 -0.04 -0.24 0.00 -2.23 0.00 0.00 60.65 58.63 1pnm s ILE 177 Cb -0.03 -0.08 -0.04 0.00 -1.58 0.00 0.00 42.46 40.73 1pnm s ILE 177 CO -0.03 0.02 0.73 0.20 -1.23 0.00 0.00 174.94 174.63 1pnm s ASN 178 N -0.01 7.05 -0.06 3.58 0.01 0.17 -0.89 114.94 124.77 1pnm s ASN 178 Ca 0.00 1.26 0.03 0.00 -0.71 0.00 0.00 52.86 53.44 1pnm s ASN 178 Cb -0.01 -2.43 -0.02 0.00 0.41 0.00 0.00 41.25 39.20 1pnm s ASN 178 CO -0.00 -0.11 -0.15 0.26 -1.51 0.00 0.00 177.10 175.59 1pnm s TRP 179 N 0.71 2.70 0.02 2.20 0.52 0.80 -1.98 118.94 123.91 1pnm s TRP 179 Ca 0.39 -0.27 0.07 0.00 0.02 0.00 0.00 56.10 56.31 1pnm s TRP 179 Cb -0.18 -1.66 -0.02 0.00 -1.15 0.00 0.00 33.47 30.45 1pnm s TRP 179 CO 0.19 0.10 -0.20 0.71 0.02 0.00 0.00 176.95 177.77 1pnm s TYR 180 N -0.52 1.77 0.03 -1.98 1.51 -0.01 -1.01 117.35 117.13 1pnm s TYR 180 Ca 0.07 -0.35 0.05 0.00 -1.01 0.00 0.00 57.07 55.83 1pnm s TYR 180 Cb -0.12 -1.09 -0.02 0.00 -0.11 0.00 0.00 41.96 40.62 1pnm s TYR 180 CO 0.01 0.03 -0.16 -0.47 -1.11 0.00 0.00 175.55 173.86 1pnm s TYR 181 N -0.65 1.42 0.00 2.71 6.14 -0.56 -1.77 117.35 124.65 1pnm s TYR 181 Ca 0.07 -0.33 -0.13 0.00 0.64 0.00 0.00 57.07 57.33 1pnm s TYR 181 Cb -0.08 -0.86 0.02 0.00 0.42 0.00 0.00 41.96 41.45 1pnm s TYR 181 CO 0.01 0.03 0.26 0.00 0.64 0.00 0.00 175.55 176.49 1pnm s ALA 182 N -0.69 -0.63 0.24 3.97 0.00 -1.05 -1.06 121.76 122.53 1pnm s ALA 182 Ca 0.04 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.14 1pnm s ALA 182 Cb -0.07 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 1pnm s ALA 182 CO 0.01 -0.28 0.18 0.16 0.00 0.00 0.00 175.76 175.82 1pnm s ASP 183 N -1.52 0.64 0.58 0.00 1.47 -0.45 -1.15 116.67 116.23 1pnm s ASP 183 Ca -0.12 -1.51 0.31 0.00 1.18 0.00 0.00 52.55 52.42 1pnm s ASP 183 Cb -0.05 0.43 1.77 0.00 -0.34 0.00 0.00 42.92 44.74 1pnm s ASP 183 CO 0.02 -0.91 2.20 0.58 0.68 0.00 0.00 175.17 177.74 1pnm h VAL 184 N 2.47 0.45 -0.00 2.11 2.07 -1.56 -2.30 116.25 119.48 1pnm h VAL 184 Ca -0.32 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1pnm h VAL 184 Cb 1.24 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1pnm h VAL 184 CO 0.48 0.04 -0.17 0.59 0.02 0.00 0.00 177.57 178.53 1pnm n ASN 185 N -3.65 0.51 0.00 0.57 3.02 -1.26 -4.53 115.26 109.91 1pnm n ASN 185 Ca -0.02 -0.46 0.00 0.00 -0.03 0.00 0.00 54.58 54.07 1pnm n ASN 185 Cb 0.14 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 1pnm n ASN 185 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pnm n GLY 186 N 1.34 0.81 3.76 7.41 0.00 -0.86 -4.95 105.19 112.70 1pnm n GLY 186 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1pnm n GLY 186 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pnm s ASN 187 N -2.27 7.37 0.04 1.61 0.01 -1.26 -2.78 114.94 117.65 1pnm s ASN 187 Ca 0.00 2.12 0.03 0.00 -0.71 0.00 0.00 52.86 54.30 1pnm s ASN 187 Cb 0.00 -2.62 -0.02 0.00 0.41 0.00 0.00 41.25 39.02 1pnm s ASN 187 CO 0.00 -0.06 -0.10 0.27 -1.51 0.00 0.00 177.10 175.70 1pnm s ILE 188 N -1.23 0.79 0.15 0.60 -4.36 -1.26 -1.35 121.20 114.55 1pnm s ILE 188 Ca 0.45 -0.94 -0.15 0.00 -0.26 0.00 0.00 60.65 59.74 1pnm s ILE 188 Cb -0.28 -0.77 0.03 0.00 1.25 0.00 0.00 42.46 42.68 1pnm s ILE 188 CO 0.36 -0.15 0.41 -0.83 0.24 0.00 0.00 174.94 174.98 1pnm s GLY 189 N -1.21 -0.10 -0.06 6.27 0.00 -0.23 -0.09 107.32 111.90 1pnm s GLY 189 Ca -0.03 -0.25 -0.06 0.00 0.00 0.00 0.00 44.72 44.39 1pnm s GLY 189 CO 0.01 -0.39 0.17 -0.47 0.00 0.00 0.00 173.10 172.42 1pnm s TYR 190 N -3.85 -0.18 -0.05 1.90 5.04 -0.42 -1.49 117.35 118.29 1pnm s TYR 190 Ca 0.07 0.45 -0.02 0.00 -2.44 0.00 0.00 57.07 55.13 1pnm s TYR 190 Cb 0.01 0.06 0.04 0.00 0.35 0.00 0.00 41.96 42.42 1pnm s TYR 190 CO -0.07 -0.09 0.09 0.08 -1.34 0.00 0.00 175.55 174.22 1pnm s VAL 191 N 0.13 -0.10 -0.77 3.14 1.01 -0.18 -1.46 120.40 122.17 1pnm s VAL 191 Ca -0.00 0.26 -0.22 0.00 0.00 0.00 0.00 61.98 62.02 1pnm s VAL 191 Cb -0.02 -0.18 0.08 0.00 0.00 0.00 0.00 36.38 36.27 1pnm s VAL 191 CO -0.00 0.11 1.07 -2.28 0.00 0.00 0.00 175.10 174.00 1pnm s HIS 192 N 1.48 2.76 0.59 5.22 2.46 -0.15 -0.14 115.29 127.51 1pnm s HIS 192 Ca -0.05 -0.77 -0.07 0.00 0.47 0.00 0.00 55.06 54.63 1pnm s HIS 192 Cb -0.12 -4.35 -0.00 0.00 -0.13 0.00 0.00 32.58 27.98 1pnm s HIS 192 CO -0.04 -1.66 0.93 0.95 -2.47 0.00 0.00 174.74 172.45 1pnm s THR 193 N 3.87 3.94 0.00 0.89 -4.23 -0.07 -4.29 115.64 115.75 1pnm s THR 193 Ca 0.28 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.99 1pnm s THR 193 Cb -0.12 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.16 1pnm s THR 193 CO 0.03 -0.63 0.00 0.61 -0.54 0.00 0.00 174.62 174.10 1pnm n GLY 194 N -2.62 3.81 3.63 3.99 0.00 -1.05 -2.73 105.19 110.22 1pnm n GLY 194 Ca 0.04 -1.70 -0.39 0.00 0.00 0.00 0.00 46.02 43.97 1pnm n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pnm s ALA 195 N -2.25 3.57 -0.04 4.61 0.00 -0.53 -4.90 121.76 122.23 1pnm s ALA 195 Ca 0.00 -0.60 0.06 0.00 0.00 0.00 0.00 51.96 51.42 1pnm s ALA 195 Cb 0.00 -2.79 -0.01 0.00 0.00 0.00 0.00 23.12 20.32 1pnm s ALA 195 CO 0.00 -0.60 -0.22 0.71 0.00 0.00 0.00 175.76 175.66 1pnm s TYR 196 N 1.97 2.07 0.58 0.00 2.02 -1.26 -4.63 117.35 118.10 1pnm s TYR 196 Ca 0.20 -0.55 -0.19 0.00 -0.37 0.00 0.00 57.07 56.17 1pnm s TYR 196 Cb -0.15 -1.36 -0.04 0.00 -0.40 0.00 0.00 41.96 40.00 1pnm s TYR 196 CO 0.09 -0.15 1.17 -1.25 -1.57 0.00 0.00 175.55 173.85 1pnm s PRO 197 N -0.20 3.09 -0.55 -1.71 0.04 -1.26 -0.67 135.00 133.74 1pnm s PRO 197 Ca -0.00 1.73 -0.14 0.00 0.04 0.00 0.00 61.00 62.63 1pnm s PRO 197 Cb -0.11 -1.96 0.13 0.00 0.04 0.00 0.00 34.50 32.60 1pnm s PRO 197 CO 0.02 -1.09 0.48 0.34 0.04 0.00 0.00 177.00 176.79 1pnm s ASP 198 N -1.71 6.10 0.40 6.66 2.15 0.40 -4.49 116.67 126.16 1pnm s ASP 198 Ca 0.75 -1.91 -0.12 0.00 0.43 0.00 0.00 52.55 51.71 1pnm s ASP 198 Cb -0.28 -2.15 -0.07 0.00 -0.30 0.00 0.00 42.92 40.12 1pnm s ASP 198 CO 0.31 -0.79 0.78 -0.13 -0.17 0.00 0.00 175.17 175.17 1pnm s ARG 199 N 1.40 3.83 0.40 4.34 0.52 -1.26 0.03 118.95 128.22 1pnm s ARG 199 Ca 0.05 0.54 -0.26 0.00 -0.52 0.00 0.00 55.73 55.54 1pnm s ARG 199 Cb -0.27 -2.38 -0.09 0.00 0.52 0.00 0.00 34.95 32.73 1pnm s ARG 199 CO 0.01 -0.01 1.32 -0.65 0.02 0.00 0.00 175.30 175.98 1pnm s GLN 200 N -3.69 3.99 0.12 3.54 -1.52 -1.26 -4.82 119.66 116.02 1pnm s GLN 200 Ca 0.52 2.19 -0.32 0.00 -1.95 0.00 0.00 55.36 55.80 1pnm s GLN 200 Cb -0.10 -2.79 -0.11 0.00 -0.22 0.00 0.00 33.01 29.78 1pnm s GLN 200 CO 0.28 -0.48 1.79 0.45 -0.25 0.00 0.00 175.29 177.08 1pnm n SER 201 N 0.19 3.84 0.00 5.90 2.88 -1.26 -1.94 113.62 123.22 1pnm n SER 201 Ca 0.03 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 1pnm n SER 201 Cb 0.43 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 1pnm n SER 201 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pnm n GLY 202 N 4.10 0.65 3.63 0.46 0.00 -1.26 -5.05 105.19 107.72 1pnm n GLY 202 Ca 0.18 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1pnm n GLY 202 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pnm s HIS 203 N -2.00 3.26 -0.46 1.61 5.04 -0.82 -5.01 115.29 116.91 1pnm s HIS 203 Ca 0.00 0.93 -0.18 0.00 -1.54 0.00 0.00 55.06 54.27 1pnm s HIS 203 Cb 0.00 -3.08 0.04 0.00 0.04 0.00 0.00 32.58 29.58 1pnm s HIS 203 CO 0.00 -0.46 0.53 0.34 -2.34 0.00 0.00 174.74 172.81 1pnm s ASP 204 N 1.49 6.22 0.00 9.88 -1.08 -1.26 -4.96 116.67 126.96 1pnm s ASP 204 Ca 0.32 -0.76 0.14 0.00 -0.52 0.00 0.00 52.55 51.73 1pnm s ASP 204 Cb -0.15 -2.26 0.79 0.00 -1.46 0.00 0.00 42.92 39.85 1pnm s ASP 204 CO 0.10 -0.72 1.25 -0.81 0.52 0.00 0.00 175.17 175.51 1pnm n PRO 205 N 5.87 0.39 0.08 4.34 -0.04 -1.26 -2.57 135.00 141.82 1pnm n PRO 205 Ca -0.07 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.54 1pnm n PRO 205 Cb 0.46 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.53 1pnm n PRO 205 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pnm h ARG 206 N 0.00 0.00 -4.65 0.54 3.08 -1.93 -3.45 114.38 107.98 1pnm h ARG 206 Ca 0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 1pnm h ARG 206 Cb 0.02 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 29.87 1pnm h ARG 206 CO 0.00 0.00 -0.73 -0.51 -1.07 0.00 0.00 179.97 177.66 1pnm s LEU 207 N -4.70 2.31 0.76 3.04 1.43 -1.06 -5.04 118.68 115.42 1pnm s LEU 207 Ca 0.04 -0.65 -0.15 0.00 -1.03 0.00 0.00 54.13 52.34 1pnm s LEU 207 Cb 0.12 -0.17 0.01 0.00 0.03 0.00 0.00 46.19 46.17 1pnm s LEU 207 CO 0.75 -0.25 0.83 -2.65 0.23 0.00 0.00 176.35 175.26 1pnm n PRO 208 N 1.13 0.30 -4.32 1.29 -0.02 -1.26 -4.77 135.00 127.35 1pnm n PRO 208 Ca -0.20 0.16 -0.23 0.00 -2.02 0.00 0.00 63.50 61.21 1pnm n PRO 208 Cb 0.56 -2.11 -0.12 0.00 -0.02 0.00 0.00 33.50 31.81 1pnm n PRO 208 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1pnm s VAL 209 N -1.97 1.79 0.39 -1.45 -7.23 -0.39 -4.97 120.40 106.57 1pnm s VAL 209 Ca 0.69 -1.77 -0.27 0.00 -1.81 0.00 0.00 61.98 58.82 1pnm s VAL 209 Cb -0.32 -1.74 -0.10 0.00 0.56 0.00 0.00 36.38 34.79 1pnm s VAL 209 CO 0.54 -0.21 1.39 -2.84 -0.31 0.00 0.00 175.10 173.67 1pnm s PRO 210 N -2.44 4.01 -0.14 4.82 0.02 -1.26 0.31 135.00 140.32 1pnm s PRO 210 Ca 0.12 2.36 0.16 0.00 0.02 0.00 0.00 61.00 63.66 1pnm s PRO 210 Cb -0.07 -2.85 0.65 0.00 0.02 0.00 0.00 34.50 32.24 1pnm s PRO 210 CO 0.06 -0.53 1.56 0.41 -0.33 0.00 0.00 177.00 178.17 1pnm n GLY 211 N 0.61 3.12 0.00 0.52 0.00 0.35 -4.36 105.19 105.43 1pnm n GLY 211 Ca 0.02 -0.86 0.11 0.00 0.00 0.00 0.00 46.02 45.30 1pnm n GLY 211 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pnm n THR 212 N 0.56 0.30 0.00 2.61 -2.24 -1.26 -4.78 114.28 109.47 1pnm n THR 212 Ca 0.23 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 1pnm n THR 212 Cb 0.90 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1pnm n THR 212 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pnm n GLY 213 N 0.72 3.99 0.13 3.38 0.00 -1.26 -1.98 105.19 110.17 1pnm n GLY 213 Ca 0.10 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1pnm n GLY 213 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pnm h LYS 214 N 0.00 0.00 -0.01 1.61 6.56 -1.91 -3.25 116.57 119.57 1pnm h LYS 214 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1pnm h LYS 214 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1pnm h LYS 214 CO 0.00 0.62 -0.20 0.91 -2.06 0.00 0.00 179.45 178.73 1pnm n TRP 215 N -3.37 0.00 -1.74 -1.35 7.02 -1.26 -4.95 117.44 111.79 1pnm n TRP 215 Ca 0.01 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.07 1pnm n TRP 215 Cb 0.74 -0.17 -0.02 0.00 -2.42 0.00 0.00 31.31 29.44 1pnm n TRP 215 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1pnm n ASP 216 N -0.86 3.78 -4.61 -0.99 8.00 -1.23 -4.67 116.55 115.96 1pnm n ASP 216 Ca 0.13 1.14 -0.36 0.00 0.71 0.00 0.00 54.79 56.41 1pnm n ASP 216 Cb 0.31 -1.58 0.08 0.00 -0.02 0.00 0.00 41.12 39.91 1pnm n ASP 216 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1pnm n TRP 217 N 2.18 0.66 0.20 1.24 8.01 -1.26 -4.61 117.44 123.86 1pnm n TRP 217 Ca 0.09 0.40 0.10 0.00 -1.31 0.00 0.00 57.50 56.78 1pnm n TRP 217 Cb 0.36 -2.09 0.13 0.00 -2.01 0.00 0.00 31.31 27.71 1pnm n TRP 217 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.69 177.55 1pnm h LYS 218 N -0.08 0.00 0.00 -0.99 1.57 -0.72 -3.49 116.57 112.86 1pnm h LYS 218 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1pnm h LYS 218 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1pnm h LYS 218 CO 0.48 0.09 0.00 0.41 -0.57 0.00 0.00 179.45 179.86 1pnm n GLY 219 N 1.13 -0.12 3.34 3.86 0.00 -1.23 -4.98 105.19 107.19 1pnm n GLY 219 Ca 0.03 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.92 1pnm n GLY 219 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pnm s LEU 220 N 0.00 2.30 0.46 0.99 1.43 -1.26 -0.46 118.68 122.15 1pnm s LEU 220 Ca 0.00 -0.71 -0.20 0.00 -1.03 0.00 0.00 54.13 52.18 1pnm s LEU 220 Cb 0.00 -1.09 -0.09 0.00 0.03 0.00 0.00 46.19 45.04 1pnm s LEU 220 CO 0.00 0.14 0.99 -0.76 0.23 0.00 0.00 176.35 176.95 1pnm s LEU 221 N -1.95 3.87 0.71 1.79 1.43 0.15 -4.67 118.68 120.01 1pnm s LEU 221 Ca 0.11 1.79 -0.11 0.00 -1.03 0.00 0.00 54.13 54.89 1pnm s LEU 221 Cb -0.10 -4.55 0.02 0.00 0.03 0.00 0.00 46.19 41.59 1pnm s LEU 221 CO 0.05 -0.59 1.07 -2.16 0.23 0.00 0.00 176.35 174.95 1pnm s PRO 222 N -3.28 2.76 0.59 1.29 0.04 -1.26 -4.66 135.00 130.48 1pnm s PRO 222 Ca 0.64 1.03 0.36 0.00 0.04 0.00 0.00 61.00 63.08 1pnm s PRO 222 Cb -0.13 -1.97 1.85 0.00 0.04 0.00 0.00 34.50 34.30 1pnm s PRO 222 CO 0.18 -1.24 2.19 0.35 0.04 0.00 0.00 177.00 178.52 1pnm h PHE 223 N -0.77 0.00 0.00 0.56 3.57 -1.94 -1.80 116.94 116.56 1pnm h PHE 223 Ca -0.44 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 60.99 1pnm h PHE 223 Cb 1.22 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 1pnm h PHE 223 CO 0.61 0.04 -0.32 1.49 -2.23 0.00 0.00 178.31 177.89 1pnm h GLU 224 N 0.00 0.00 0.00 1.11 4.81 -2.02 -2.06 114.58 116.42 1pnm h GLU 224 Ca -0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1pnm h GLU 224 Cb 0.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1pnm h GLU 224 CO 0.00 0.32 -0.24 0.52 -0.73 0.00 0.00 179.01 178.88 1pnm h MET 225 N 0.00 0.00 -6.34 1.92 2.86 -1.70 -3.45 114.93 108.22 1pnm h MET 225 Ca -0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.09 1pnm h MET 225 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1pnm h MET 225 CO 0.04 0.24 0.99 -0.80 1.06 0.00 0.00 176.91 178.44 1pnm s ASN 226 N -6.21 6.71 0.20 1.22 -0.87 -0.78 -4.95 114.94 110.26 1pnm s ASN 226 Ca 0.02 2.26 -0.31 0.00 -1.57 0.00 0.00 52.86 53.25 1pnm s ASN 226 Cb 0.09 -2.55 -0.15 0.00 -0.02 0.00 0.00 41.25 38.62 1pnm s ASN 226 CO 0.66 -0.86 1.08 -2.65 -2.57 0.00 0.00 177.10 172.76 1pnm n PRO 227 N 6.22 1.11 -3.48 -0.60 -0.02 -1.26 -4.80 135.00 132.18 1pnm n PRO 227 Ca 0.16 0.39 -0.16 0.00 -2.02 0.00 0.00 63.50 61.88 1pnm n PRO 227 Cb 0.42 -1.82 -0.04 0.00 -0.02 0.00 0.00 33.50 32.04 1pnm n PRO 227 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1pnm s LYS 228 N -0.73 1.15 -0.05 -0.52 -2.85 -1.26 -0.98 119.74 114.50 1pnm s LYS 228 Ca 0.69 -0.04 -0.09 0.00 -1.00 0.00 0.00 55.97 55.53 1pnm s LYS 228 Cb -0.82 0.54 0.02 0.00 -2.06 0.00 0.00 37.83 35.50 1pnm s LYS 228 CO 0.55 -0.42 0.22 0.08 0.10 0.00 0.00 175.35 175.88 1pnm s VAL 229 N -2.24 0.04 -0.06 1.79 1.01 -0.54 -5.01 120.40 115.39 1pnm s VAL 229 Ca -0.06 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1pnm s VAL 229 Cb -0.00 -0.42 0.02 0.00 0.00 0.00 0.00 36.38 35.98 1pnm s VAL 229 CO 0.01 -0.16 -0.07 -0.47 0.00 0.00 0.00 175.10 174.40 1pnm s TYR 230 N -0.60 1.06 -0.96 5.22 5.04 -1.26 -1.31 117.35 124.55 1pnm s TYR 230 Ca -0.07 -0.38 -0.11 0.00 -2.44 0.00 0.00 57.07 54.07 1pnm s TYR 230 Cb -0.04 -0.88 0.00 0.00 0.35 0.00 0.00 41.96 41.39 1pnm s TYR 230 CO 0.01 -0.27 0.69 0.09 -1.34 0.00 0.00 175.55 174.73 1pnm n ASN 231 N 4.19 -5.40 -4.75 4.32 3.02 0.87 -4.88 115.26 112.63 1pnm n ASN 231 Ca -0.21 -0.88 -0.38 0.00 -0.03 0.00 0.00 54.58 53.08 1pnm n ASN 231 Cb 0.51 -2.77 0.04 0.00 -0.61 0.00 0.00 39.78 36.94 1pnm n ASN 231 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1pnm s PRO 232 N -5.28 3.12 0.37 3.52 0.04 -1.26 -4.95 135.00 130.56 1pnm s PRO 232 Ca 0.21 2.16 0.10 0.00 0.04 0.00 0.00 61.00 63.51 1pnm s PRO 232 Cb -0.09 -2.21 0.86 0.00 0.04 0.00 0.00 34.50 33.10 1pnm s PRO 232 CO 0.87 -1.18 1.87 1.96 0.04 0.00 0.00 177.00 180.57 1pnm h GLN 233 N 1.38 0.63 0.00 4.56 4.20 -1.94 -2.71 115.11 121.24 1pnm h GLN 233 Ca -0.51 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.13 1pnm h GLN 233 Cb 1.30 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.93 1pnm h GLN 233 CO 0.57 0.42 -0.15 0.66 -0.67 0.00 0.00 178.83 179.66 1pnm h SER 234 N 0.65 0.00 0.00 1.46 4.64 -2.03 -3.47 113.55 114.80 1pnm h SER 234 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1pnm h SER 234 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1pnm h SER 234 CO -0.20 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.52 1pnm n GLY 235 N -0.97 0.77 3.40 -0.77 0.00 -1.02 -4.89 105.19 101.70 1pnm n GLY 235 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 1pnm n GLY 235 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pnm s TYR 236 N -2.27 -0.15 -0.09 1.61 -0.85 -1.26 -0.67 117.35 113.68 1pnm s TYR 236 Ca 0.00 -0.17 -0.01 0.00 -0.52 0.00 0.00 57.07 56.37 1pnm s TYR 236 Cb 0.00 0.30 0.03 0.00 0.38 0.00 0.00 41.96 42.67 1pnm s TYR 236 CO 0.00 -0.79 -0.04 0.42 -1.52 0.00 0.00 175.55 173.62 1pnm s ILE 237 N -3.84 0.67 0.02 -3.49 1.01 0.11 -4.86 121.20 110.83 1pnm s ILE 237 Ca 0.06 -0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.69 1pnm s ILE 237 Cb 0.01 -0.76 -0.02 0.00 0.01 0.00 0.00 42.46 41.70 1pnm s ILE 237 CO -0.08 0.31 -0.16 0.00 0.00 0.00 0.00 174.94 175.00 1pnm s ALA 238 N 1.80 1.38 -0.16 9.38 0.00 -1.26 -0.14 121.76 132.75 1pnm s ALA 238 Ca 0.04 -0.84 -0.17 0.00 0.00 0.00 0.00 51.96 50.99 1pnm s ALA 238 Cb -0.12 -0.28 0.05 0.00 0.00 0.00 0.00 23.12 22.77 1pnm s ALA 238 CO -0.06 0.30 0.48 1.21 0.00 0.00 0.00 175.76 177.69 1pnm s ASN 239 N -0.89 -0.49 -0.31 0.00 3.84 -0.42 -5.01 114.94 111.66 1pnm s ASN 239 Ca 0.05 0.89 0.18 0.00 0.21 0.00 0.00 52.86 54.19 1pnm s ASN 239 Cb -0.07 0.91 0.46 0.00 -0.55 0.00 0.00 41.25 42.00 1pnm s ASN 239 CO 0.01 -0.21 1.16 1.87 -2.79 0.00 0.00 177.10 177.14 1pnm n TRP 240 N 2.60 0.19 -2.32 0.43 -0.00 -1.26 -1.74 117.44 115.34 1pnm n TRP 240 Ca -0.14 -2.26 -0.10 0.00 -0.00 0.00 0.00 57.50 55.00 1pnm n TRP 240 Cb 0.57 0.25 0.00 0.00 -0.00 0.00 0.00 31.31 32.13 1pnm n TRP 240 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1pnm n ASN 241 N -0.57 -3.44 -4.95 5.87 5.03 -1.23 -4.62 115.26 111.35 1pnm n ASN 241 Ca 0.02 -0.05 -0.24 0.00 0.87 0.00 0.00 54.58 55.19 1pnm n ASN 241 Cb 0.83 -2.59 0.04 0.00 -1.02 0.00 0.00 39.78 37.03 1pnm n ASN 241 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1pnm s ASN 242 N -2.65 5.30 0.28 6.41 4.22 -1.26 -4.98 114.94 122.27 1pnm s ASN 242 Ca 0.04 0.32 -0.30 0.00 -2.14 0.00 0.00 52.86 50.78 1pnm s ASN 242 Cb -0.02 -1.22 -0.12 0.00 1.28 0.00 0.00 41.25 41.17 1pnm s ASN 242 CO 0.05 -1.18 1.61 -0.24 -2.04 0.00 0.00 177.10 175.30 1pnm n SER 243 N -2.51 3.85 -0.21 3.54 2.88 -1.26 -4.92 113.62 114.99 1pnm n SER 243 Ca 0.06 1.14 -0.09 0.00 -1.33 0.00 0.00 58.87 58.64 1pnm n SER 243 Cb 0.59 -1.59 0.02 0.00 -0.75 0.00 0.00 64.21 62.49 1pnm n SER 243 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1pnm h PRO 244 N 5.02 1.06 -3.05 -1.46 0.11 -1.92 -3.48 132.00 128.27 1pnm h PRO 244 Ca -0.46 -0.34 0.01 0.00 0.11 0.00 0.00 66.00 65.32 1pnm h PRO 244 Cb 1.22 -0.09 -0.09 0.00 0.11 0.00 0.00 31.00 32.15 1pnm h PRO 244 CO 0.81 1.04 0.19 -1.14 -0.21 0.00 0.00 178.00 178.69 1pnm s GLN 245 N -5.00 1.50 0.05 1.05 0.74 -1.26 -5.00 119.66 111.73 1pnm s GLN 245 Ca -0.12 -0.74 -0.33 0.00 0.05 0.00 0.00 55.36 54.22 1pnm s GLN 245 Cb 0.13 0.59 -0.12 0.00 1.10 0.00 0.00 33.01 34.71 1pnm s GLN 245 CO 0.86 -0.67 1.79 1.17 -0.55 0.00 0.00 175.29 177.89 1pnm n LYS 246 N -0.40 2.38 -1.10 1.67 4.81 -1.26 -1.83 118.16 122.43 1pnm n LYS 246 Ca -0.11 0.87 -0.03 0.00 -0.87 0.00 0.00 58.31 58.17 1pnm n LYS 246 Cb 0.62 -2.71 -0.01 0.00 0.02 0.00 0.00 35.03 32.95 1pnm n LYS 246 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1pnm n ASP 247 N 5.51 -3.60 -4.69 3.14 8.00 -1.26 -5.02 116.55 118.64 1pnm n ASP 247 Ca 0.20 0.09 -0.41 0.00 0.71 0.00 0.00 54.79 55.37 1pnm n ASP 247 Cb 0.32 -1.40 -0.04 0.00 -0.02 0.00 0.00 41.12 39.98 1pnm n ASP 247 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1pnm s TYR 248 N -2.07 3.52 0.11 1.24 6.14 -0.76 -5.02 117.35 120.51 1pnm s TYR 248 Ca 0.00 1.33 -0.30 0.00 0.64 0.00 0.00 57.07 58.74 1pnm s TYR 248 Cb 0.00 -2.95 -0.06 0.00 0.42 0.00 0.00 41.96 39.37 1pnm s TYR 248 CO 0.00 -0.07 1.04 -1.25 0.64 0.00 0.00 175.55 175.91 1pnm s PRO 249 N 1.43 4.61 0.81 4.97 0.04 -1.26 -4.96 135.00 140.65 1pnm s PRO 249 Ca 0.40 1.58 -0.09 0.00 0.04 0.00 0.00 61.00 62.93 1pnm s PRO 249 Cb -0.18 -3.35 0.13 0.00 0.04 0.00 0.00 34.50 31.14 1pnm s PRO 249 CO 0.17 0.07 1.13 0.00 0.04 0.00 0.00 177.00 178.42 1pnm s ALA 250 N 0.17 2.92 0.73 8.56 0.00 -1.26 -4.13 121.76 128.75 1pnm s ALA 250 Ca 0.50 -1.21 -0.17 0.00 0.00 0.00 0.00 51.96 51.08 1pnm s ALA 250 Cb -0.26 -2.54 -0.09 0.00 0.00 0.00 0.00 23.12 20.22 1pnm s ALA 250 CO 0.31 -1.78 0.02 0.45 0.00 0.00 0.00 175.76 174.76 1pnm n SER 251 N -3.24 -3.09 -0.03 0.00 2.88 0.11 -4.17 113.62 106.09 1pnm n SER 251 Ca 0.12 0.51 0.16 0.00 -1.33 0.00 0.00 58.87 58.33 1pnm n SER 251 Cb 0.60 -1.00 0.91 0.00 -0.75 0.00 0.00 64.21 63.97 1pnm n SER 251 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1pnm n ASP 252 N 1.38 0.10 -4.66 -3.46 5.68 -1.26 -4.89 116.55 109.45 1pnm n ASP 252 Ca 0.07 -1.01 -0.47 0.00 -0.50 0.00 0.00 54.79 52.88 1pnm n ASP 252 Cb 0.51 -0.01 -0.04 0.00 -1.14 0.00 0.00 41.12 40.43 1pnm n ASP 252 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1pnm n LEU 253 N -0.93 2.84 -0.33 -2.12 4.77 -1.26 -4.87 117.00 115.10 1pnm n LEU 253 Ca 0.23 1.09 -0.02 0.00 -0.03 0.00 0.00 56.01 57.28 1pnm n LEU 253 Cb 0.13 -1.39 0.13 0.00 -2.33 0.00 0.00 43.42 39.96 1pnm n LEU 253 CO 0.18 -0.44 1.24 2.19 -1.33 0.00 0.00 177.39 179.23 1pnm h PHE 254 N 5.56 1.20 0.00 -1.77 -5.15 -1.99 -0.86 116.94 113.93 1pnm h PHE 254 Ca -0.45 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 1pnm h PHE 254 Cb 1.27 -0.40 0.00 0.00 0.22 0.00 0.00 35.95 37.04 1pnm h PHE 254 CO 0.62 0.78 0.00 0.00 -2.00 0.00 0.00 178.31 177.71 1pnm n ALA 255 N -2.40 2.27 -3.67 12.09 0.00 -1.26 -4.76 120.51 122.79 1pnm n ALA 255 Ca 0.10 -0.13 -0.33 0.00 0.00 0.00 0.00 53.44 53.08 1pnm n ALA 255 Cb 0.05 -1.38 -0.15 0.00 0.00 0.00 0.00 19.45 17.97 1pnm n ALA 255 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1pnm s PHE 256 N -2.28 2.79 0.03 0.00 2.19 -0.33 -4.63 117.98 115.75 1pnm s PHE 256 Ca 0.29 -1.23 0.01 0.00 0.33 0.00 0.00 56.93 56.32 1pnm s PHE 256 Cb 0.16 -1.92 -0.02 0.00 -1.31 0.00 0.00 43.02 39.93 1pnm s PHE 256 CO 0.31 -0.59 -0.05 -0.51 1.83 0.00 0.00 175.22 176.21 1pnm s LEU 257 N 1.03 2.24 -0.36 6.12 1.43 -1.26 -4.72 118.68 123.16 1pnm s LEU 257 Ca -0.01 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.57 1pnm s LEU 257 Cb -0.15 0.01 0.08 0.00 0.03 0.00 0.00 46.19 46.16 1pnm s LEU 257 CO -0.04 -0.26 0.12 0.26 0.23 0.00 0.00 176.35 176.66 1pnm s TRP 258 N -1.38 3.47 0.00 0.29 0.51 -1.26 -5.05 118.94 115.52 1pnm s TRP 258 Ca -0.13 -2.20 0.00 0.00 -2.12 0.00 0.00 56.10 51.64 1pnm s TRP 258 Cb -0.10 -2.78 0.00 0.00 -0.81 0.00 0.00 33.47 29.79 1pnm s TRP 258 CO -0.01 -0.90 0.00 0.41 -0.51 0.00 0.00 176.95 175.95 1pnm n GLY 259 N 4.60 4.55 0.23 0.98 0.00 -1.26 -5.06 105.19 109.23 1pnm n GLY 259 Ca -0.06 -1.83 0.04 0.00 0.00 0.00 0.00 46.02 44.18 1pnm n GLY 259 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pnm h GLY 260 N 0.00 0.10 -7.13 -0.02 0.00 -1.98 -3.37 103.07 90.67 1pnm h GLY 260 Ca 0.00 -0.05 -0.63 0.00 0.00 0.00 0.00 47.33 46.64 1pnm h GLY 260 CO 0.00 0.05 0.39 0.00 0.00 0.00 0.00 176.54 176.98 1pnm s ALA 261 N -4.70 3.24 -0.03 3.60 0.00 -1.26 -5.04 121.76 117.57 1pnm s ALA 261 Ca -0.05 -1.34 -0.02 0.00 0.00 0.00 0.00 51.96 50.56 1pnm s ALA 261 Cb 0.16 -3.59 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1pnm s ALA 261 CO 0.71 -2.21 0.07 0.34 0.00 0.00 0.00 175.76 174.67 1pnm s ASP 262 N 2.69 -0.05 0.49 0.00 -1.08 -1.26 -4.93 116.67 112.52 1pnm s ASP 262 Ca 0.26 0.15 0.33 0.00 -0.52 0.00 0.00 52.55 52.77 1pnm s ASP 262 Cb -0.14 0.11 1.50 0.00 -1.46 0.00 0.00 42.92 42.93 1pnm s ASP 262 CO 0.18 -0.06 1.98 0.08 0.52 0.00 0.00 175.17 177.87 1pnm h ARG 263 N 6.46 0.00 0.00 4.34 0.11 -1.94 -2.74 114.38 120.61 1pnm h ARG 263 Ca -0.31 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.75 1pnm h ARG 263 Cb 1.18 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.26 1pnm h ARG 263 CO 0.46 0.00 -0.09 -0.24 0.10 0.00 0.00 179.97 180.20 1pnm h VAL 264 N 0.00 0.97 -0.93 0.08 3.04 -1.96 -2.65 116.25 114.80 1pnm h VAL 264 Ca 0.00 -0.32 0.19 0.00 -1.01 0.00 0.00 66.70 65.56 1pnm h VAL 264 Cb 0.32 1.18 -0.08 0.00 -2.01 0.00 0.00 31.29 30.70 1pnm h VAL 264 CO 0.00 0.09 0.60 0.74 -1.01 0.00 0.00 177.57 177.99 1pnm h THR 265 N 0.00 0.71 -0.87 3.17 2.02 -1.91 -0.68 112.91 115.35 1pnm h THR 265 Ca -0.00 -0.19 0.09 0.00 0.77 0.00 0.00 66.41 67.08 1pnm h THR 265 Cb 0.17 0.12 -0.06 0.00 -1.74 0.00 0.00 68.15 66.64 1pnm h THR 265 CO 0.01 0.10 0.56 -0.33 0.37 0.00 0.00 175.52 176.24 1pnm h GLU 266 N 0.55 0.85 -0.00 6.66 4.39 -1.70 -1.37 114.58 123.96 1pnm h GLU 266 Ca 0.49 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 60.14 1pnm h GLU 266 Cb 1.02 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1pnm h GLU 266 CO -0.23 0.56 -0.01 0.82 -1.16 0.00 0.00 179.01 178.99 1pnm h ILE 267 N 0.88 1.60 -0.29 3.13 2.04 -1.32 -3.30 117.51 120.25 1pnm h ILE 267 Ca 0.40 -1.77 0.07 0.00 1.00 0.00 0.00 64.86 64.55 1pnm h ILE 267 Cb 0.37 2.80 -0.07 0.00 -0.74 0.00 0.00 36.82 39.18 1pnm h ILE 267 CO -0.16 0.46 -0.17 0.44 0.00 0.00 0.00 178.15 178.72 1pnm h ASP 268 N -0.74 -0.55 -0.65 1.72 3.32 -1.21 -0.69 116.42 117.62 1pnm h ASP 268 Ca -0.00 0.12 0.11 0.00 0.02 0.00 0.00 57.03 57.28 1pnm h ASP 268 Cb 0.76 0.29 -0.12 0.00 0.22 0.00 0.00 39.33 40.48 1pnm h ASP 268 CO 0.00 -0.20 -0.36 0.03 -1.72 0.00 0.00 179.24 176.99 1pnm h ARG 269 N -0.14 -0.14 -0.67 3.56 3.08 -1.38 0.01 114.38 118.71 1pnm h ARG 269 Ca 0.15 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.14 1pnm h ARG 269 Cb 0.37 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 1pnm h ARG 269 CO -0.37 -0.09 0.13 -0.07 -1.07 0.00 0.00 179.97 178.49 1pnm h LEU 270 N -0.14 1.04 -0.45 3.04 3.38 -1.53 -2.80 115.31 117.85 1pnm h LEU 270 Ca 0.24 -0.25 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1pnm h LEU 270 Cb 0.56 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1pnm h LEU 270 CO -0.73 1.03 -0.75 -0.07 0.09 0.00 0.00 178.44 178.00 1pnm h LEU 271 N 1.01 0.25 -0.57 1.67 3.38 -0.07 -3.19 115.31 117.79 1pnm h LEU 271 Ca 0.20 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1pnm h LEU 271 Cb 0.42 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1pnm h LEU 271 CO 0.01 0.91 -0.21 -0.33 0.09 0.00 0.00 178.44 178.91 1pnm h GLU 272 N 0.13 0.00 -0.45 1.13 5.08 -1.04 -3.32 114.58 116.11 1pnm h GLU 272 Ca -0.03 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1pnm h GLU 272 Cb 1.33 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.52 1pnm h GLU 272 CO 0.12 0.21 0.13 1.96 -1.00 0.00 0.00 179.01 180.43 1pnm h GLN 273 N 0.00 0.28 -6.02 2.33 4.20 -1.48 -3.41 115.11 111.01 1pnm h GLN 273 Ca -0.00 -0.02 -0.68 0.00 0.06 0.00 0.00 58.65 58.01 1pnm h GLN 273 Cb 0.95 -0.06 -0.18 0.00 0.30 0.00 0.00 27.48 28.49 1pnm h GLN 273 CO 0.03 0.18 -0.67 0.15 -0.67 0.00 0.00 178.83 177.85 1pnm s LYS 274 N -6.14 2.90 0.18 1.46 1.02 -1.25 -5.02 119.74 112.89 1pnm s LYS 274 Ca -0.13 -0.50 -0.12 0.00 0.02 0.00 0.00 55.97 55.24 1pnm s LYS 274 Cb 0.14 -2.68 0.09 0.00 -0.52 0.00 0.00 37.83 34.85 1pnm s LYS 274 CO 0.72 0.64 1.78 -1.00 -0.92 0.00 0.00 175.35 176.57 1pnm h PRO 275 N 5.34 0.86 -5.08 -1.68 0.13 -1.86 -3.43 132.00 126.27 1pnm h PRO 275 Ca -0.48 -0.11 -0.36 0.00 -0.87 0.00 0.00 66.00 64.18 1pnm h PRO 275 Cb 1.18 -0.16 -0.21 0.00 0.13 0.00 0.00 31.00 31.94 1pnm h PRO 275 CO 0.54 0.67 -0.76 1.03 -0.23 0.00 0.00 178.00 179.25 1pnm s ARG 276 N -5.79 0.74 -0.01 0.86 0.52 -1.26 -4.63 118.95 109.39 1pnm s ARG 276 Ca -0.13 -0.92 0.06 0.00 -0.52 0.00 0.00 55.73 54.21 1pnm s ARG 276 Cb 0.13 -0.64 -0.02 0.00 0.52 0.00 0.00 34.95 34.94 1pnm s ARG 276 CO 0.78 0.13 -0.18 -0.51 0.02 0.00 0.00 175.30 175.55 1pnm s LEU 277 N -1.78 2.05 0.67 2.53 1.02 0.12 -4.88 118.68 118.41 1pnm s LEU 277 Ca -0.03 -0.34 -0.02 0.00 0.02 0.00 0.00 54.13 53.75 1pnm s LEU 277 Cb -0.09 -0.90 0.08 0.00 0.02 0.00 0.00 46.19 45.30 1pnm s LEU 277 CO 0.02 0.20 0.95 0.42 0.02 0.00 0.00 176.35 177.95 1pnm s THR 278 N -0.47 2.34 0.22 5.49 -4.23 -1.26 -0.15 115.64 117.57 1pnm s THR 278 Ca 0.07 -0.51 -0.04 0.00 -1.18 0.00 0.00 61.69 60.03 1pnm s THR 278 Cb -0.07 -2.83 0.05 0.00 1.34 0.00 0.00 72.50 70.99 1pnm s THR 278 CO -0.00 0.00 1.65 0.00 -0.54 0.00 0.00 174.62 175.73 1pnm h ALA 279 N -0.41 0.91 -0.36 3.99 0.00 -1.96 0.14 119.26 121.57 1pnm h ALA 279 Ca -0.41 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.03 1pnm h ALA 279 Cb 1.29 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1pnm h ALA 279 CO 0.49 0.62 -0.31 -0.44 0.00 0.00 0.00 179.25 179.61 1pnm h ASP 280 N 0.72 0.82 -0.38 0.00 3.32 -1.97 -0.45 116.42 118.48 1pnm h ASP 280 Ca 0.11 -0.34 -0.13 0.00 0.02 0.00 0.00 57.03 56.70 1pnm h ASP 280 Cb 0.66 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1pnm h ASP 280 CO 0.05 1.07 -0.26 1.56 -1.72 0.00 0.00 179.24 179.94 1pnm h GLN 281 N 0.67 0.85 -0.46 3.56 4.20 -1.88 -0.67 115.11 121.37 1pnm h GLN 281 Ca 0.07 -0.40 -0.05 0.00 0.06 0.00 0.00 58.65 58.33 1pnm h GLN 281 Cb 0.85 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 1pnm h GLN 281 CO 0.07 1.04 0.07 0.00 -0.67 0.00 0.00 178.83 179.34 1pnm h ALA 282 N 0.79 1.26 -0.29 3.87 0.00 -0.41 -2.57 119.26 121.91 1pnm h ALA 282 Ca 0.08 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 1pnm h ALA 282 Cb 0.83 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1pnm h ALA 282 CO 0.07 0.51 -0.54 2.35 0.00 0.00 0.00 179.25 181.64 1pnm h TRP 283 N 0.69 1.07 0.00 0.00 2.91 -0.97 -3.24 115.95 116.40 1pnm h TRP 283 Ca 0.15 -0.38 -0.00 0.00 1.13 0.00 0.00 58.89 59.79 1pnm h TRP 283 Cb 0.33 -0.20 -0.00 0.00 -0.51 0.00 0.00 29.16 28.77 1pnm h TRP 283 CO 0.02 1.20 -0.00 0.22 -1.03 0.00 0.00 178.44 178.84 1pnm h ASP 284 N 0.66 0.00 -0.11 2.65 3.58 -0.71 -1.67 116.42 120.82 1pnm h ASP 284 Ca 0.02 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.50 1pnm h ASP 284 Cb 1.14 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.19 1pnm h ASP 284 CO 0.12 0.00 0.10 0.58 -2.88 0.00 0.00 179.24 177.16 1pnm h VAL 285 N 0.00 0.69 -0.12 2.25 2.07 -1.55 -0.59 116.25 119.00 1pnm h VAL 285 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1pnm h VAL 285 Cb 0.01 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1pnm h VAL 285 CO 0.00 0.00 0.05 0.40 0.02 0.00 0.00 177.57 178.04 1pnm h ILE 286 N 0.00 1.14 -0.20 4.57 2.04 -1.50 -1.53 117.51 122.02 1pnm h ILE 286 Ca 0.05 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1pnm h ILE 286 Cb 0.24 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1pnm h ILE 286 CO -0.00 0.12 0.13 -0.09 0.00 0.00 0.00 178.15 178.31 1pnm h ARG 287 N 0.05 0.26 0.16 2.37 2.43 -1.25 -2.08 114.38 116.32 1pnm h ARG 287 Ca 0.04 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1pnm h ARG 287 Cb 0.15 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1pnm h ARG 287 CO -0.00 0.17 -0.08 1.96 -1.51 0.00 0.00 179.97 180.51 1pnm h GLN 288 N 0.27 -0.21 0.00 0.20 4.20 -1.45 -3.14 115.11 114.98 1pnm h GLN 288 Ca 0.08 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 1pnm h GLN 288 Cb -0.02 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1pnm h GLN 288 CO -0.02 -0.02 -0.14 1.79 -0.67 0.00 0.00 178.83 179.77 1pnm h THR 289 N -0.36 0.65 -0.93 -0.54 1.35 -1.31 -2.08 112.91 109.68 1pnm h THR 289 Ca -0.02 -0.62 -0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1pnm h THR 289 Cb 0.29 1.39 -0.05 0.00 -1.73 0.00 0.00 68.15 68.05 1pnm h THR 289 CO 0.04 0.14 0.58 0.28 -0.25 0.00 0.00 175.52 176.30 1pnm h SER 290 N 0.00 1.11 -0.00 5.36 0.02 -1.33 -3.27 113.55 115.44 1pnm h SER 290 Ca -0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1pnm h SER 290 Cb 0.38 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1pnm h SER 290 CO 0.02 0.84 -0.82 0.54 -1.14 0.00 0.00 176.83 176.27 1pnm n ARG 291 N -4.36 0.42 -2.39 3.45 1.74 -1.02 -1.04 116.66 113.45 1pnm n ARG 291 Ca 0.11 -0.35 -0.42 0.00 -0.77 0.00 0.00 57.85 56.42 1pnm n ARG 291 Cb 0.05 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 29.97 1pnm n ARG 291 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1pnm s GLN 292 N -2.82 4.34 0.10 5.56 2.00 -0.81 -0.48 119.66 127.55 1pnm s GLN 292 Ca 0.12 1.76 -0.31 0.00 -2.00 0.00 0.00 55.36 54.92 1pnm s GLN 292 Cb 0.17 -3.55 -0.08 0.00 0.80 0.00 0.00 33.01 30.35 1pnm s GLN 292 CO 0.77 -0.47 1.36 0.34 -0.50 0.00 0.00 175.29 176.79 1pnm s ASP 293 N 1.56 6.86 0.25 6.67 -1.08 0.87 -4.94 116.67 126.86 1pnm s ASP 293 Ca 0.58 2.27 0.25 0.00 -0.52 0.00 0.00 52.55 55.13 1pnm s ASP 293 Cb -0.27 -2.58 0.51 0.00 -1.46 0.00 0.00 42.92 39.12 1pnm s ASP 293 CO 0.24 -0.63 1.57 -0.07 0.52 0.00 0.00 175.17 176.79 1pnm h LEU 294 N 6.85 0.00 0.00 -1.34 3.38 -1.95 -3.35 115.31 118.89 1pnm h LEU 294 Ca -0.42 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.41 1pnm h LEU 294 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 1pnm h LEU 294 CO 0.86 0.02 -1.74 0.59 0.09 0.00 0.00 178.44 178.26 1pnm n ASN 295 N -2.49 0.35 -0.14 -0.43 3.02 -1.26 -4.56 115.26 109.74 1pnm n ASN 295 Ca 0.04 0.14 -0.14 0.00 -0.03 0.00 0.00 54.58 54.60 1pnm n ASN 295 Cb 0.47 1.15 -0.10 0.00 -0.61 0.00 0.00 39.78 40.70 1pnm n ASN 295 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1pnm h LEU 296 N 0.00 -1.83 -0.67 3.41 5.85 -1.98 -2.33 115.31 117.76 1pnm h LEU 296 Ca -0.12 0.24 0.13 0.00 0.84 0.00 0.00 57.88 58.97 1pnm h LEU 296 Cb 1.31 0.75 -0.09 0.00 0.37 0.00 0.00 40.66 43.00 1pnm h LEU 296 CO 0.01 -0.40 0.18 -0.09 -0.34 0.00 0.00 178.44 177.80 1pnm h ARG 297 N -0.39 0.29 -0.33 1.25 2.43 -1.83 -0.66 114.38 115.14 1pnm h ARG 297 Ca 0.07 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 1pnm h ARG 297 Cb 0.58 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1pnm h ARG 297 CO -0.58 0.19 -0.14 -0.07 -1.51 0.00 0.00 179.97 177.86 1pnm h LEU 298 N 0.30 0.70 -1.51 3.80 3.38 -1.67 -3.37 115.31 116.93 1pnm h LEU 298 Ca 0.36 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1pnm h LEU 298 Cb 0.56 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1pnm h LEU 298 CO -0.43 0.94 0.00 0.49 0.09 0.00 0.00 178.44 179.53 1pnm n PHE 299 N -4.37 0.03 0.00 1.13 3.72 -1.04 -4.71 117.46 112.22 1pnm n PHE 299 Ca -0.03 -0.04 -0.12 0.00 -0.05 0.00 0.00 57.45 57.21 1pnm n PHE 299 Cb 0.38 -0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.85 1pnm n PHE 299 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1pnm h LEU 300 N 1.98 0.07 -0.86 4.37 5.85 -1.29 -2.47 115.31 122.96 1pnm h LEU 300 Ca 0.00 -0.15 0.17 0.00 0.84 0.00 0.00 57.88 58.74 1pnm h LEU 300 Cb 0.45 -0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.35 1pnm h LEU 300 CO 0.00 0.20 0.42 -0.65 -0.34 0.00 0.00 178.44 178.07 1pnm h PRO 301 N -0.07 0.52 -0.38 5.25 0.11 -1.84 -1.26 132.00 134.32 1pnm h PRO 301 Ca 0.02 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1pnm h PRO 301 Cb 0.15 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 1pnm h PRO 301 CO -0.00 0.34 0.24 1.15 -0.21 0.00 0.00 178.00 179.52 1pnm h THR 302 N 0.54 1.12 -0.21 -1.15 2.02 -1.84 -1.78 112.91 111.60 1pnm h THR 302 Ca 0.50 -0.25 -0.15 0.00 0.77 0.00 0.00 66.41 67.27 1pnm h THR 302 Cb 0.80 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1pnm h THR 302 CO -0.42 0.12 -0.50 -0.07 0.37 0.00 0.00 175.52 175.01 1pnm h LEU 303 N 0.51 0.63 0.02 2.58 3.38 -0.97 -2.63 115.31 118.83 1pnm h LEU 303 Ca 0.14 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1pnm h LEU 303 Cb -0.02 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1pnm h LEU 303 CO -0.03 1.02 -0.01 1.56 0.09 0.00 0.00 178.44 181.07 1pnm h GLN 304 N 0.45 -0.03 -0.38 1.13 4.20 -1.12 -2.94 115.11 116.42 1pnm h GLN 304 Ca 0.02 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.76 1pnm h GLN 304 Cb 1.03 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.79 1pnm h GLN 304 CO 0.10 0.33 0.20 0.00 -0.67 0.00 0.00 178.83 178.78 1pnm h ALA 305 N 0.56 0.47 0.00 3.87 0.00 -1.40 -2.39 119.26 120.38 1pnm h ALA 305 Ca -0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1pnm h ALA 305 Cb 0.38 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1pnm h ALA 305 CO 0.01 -0.16 -0.19 0.00 0.00 0.00 0.00 179.25 178.90 1pnm h ALA 306 N 1.19 1.47 -0.26 0.00 0.00 -1.47 -3.17 119.26 117.02 1pnm h ALA 306 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pnm h ALA 306 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1pnm h ALA 306 CO -0.10 0.23 0.00 0.25 0.00 0.00 0.00 179.25 179.63 1pnm n THR 307 N -4.00 0.50 -0.34 0.00 -2.24 -1.11 -4.65 114.28 102.44 1pnm n THR 307 Ca -0.02 -0.75 -0.02 0.00 -2.27 0.00 0.00 64.05 60.99 1pnm n THR 307 Cb 0.27 0.92 0.10 0.00 -2.10 0.00 0.00 70.33 69.52 1pnm n THR 307 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1pnm h SER 308 N 3.06 1.04 -0.43 3.42 4.64 -1.40 -2.79 113.55 121.09 1pnm h SER 308 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1pnm h SER 308 Cb 0.76 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1pnm h SER 308 CO 0.00 0.74 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 1pnm n GLY 309 N -1.35 1.06 3.90 -0.77 0.00 -1.26 -4.93 105.19 101.85 1pnm n GLY 309 Ca 0.11 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.36 1pnm n GLY 309 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pnm s LEU 310 N -1.04 3.81 0.45 0.99 1.43 -1.06 -5.09 118.68 118.19 1pnm s LEU 310 Ca 0.30 0.88 -0.17 0.00 -1.03 0.00 0.00 54.13 54.11 1pnm s LEU 310 Cb 0.16 -3.78 -0.09 0.00 0.03 0.00 0.00 46.19 42.51 1pnm s LEU 310 CO 0.21 -0.42 0.92 0.42 0.23 0.00 0.00 176.35 177.71 1pnm s THR 311 N -2.46 4.53 0.39 5.49 -4.23 -1.26 -4.99 115.64 113.11 1pnm s THR 311 Ca 0.47 1.20 0.06 0.00 -1.18 0.00 0.00 61.69 62.24 1pnm s THR 311 Cb -0.10 -3.67 0.27 0.00 1.34 0.00 0.00 72.50 70.34 1pnm s THR 311 CO 0.37 -0.50 2.04 -0.61 -0.54 0.00 0.00 174.62 175.38 1pnm h GLN 312 N 1.42 0.63 0.00 3.99 4.15 -1.98 -2.01 115.11 121.31 1pnm h GLN 312 Ca -0.48 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.91 1pnm h GLN 312 Cb 1.18 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.73 1pnm h GLN 312 CO 0.62 0.42 0.00 -1.13 -1.93 0.00 0.00 178.83 176.81 1pnm n SER 313 N -4.46 0.00 -4.63 -0.69 3.41 -1.26 -4.66 113.62 101.32 1pnm n SER 313 Ca 0.05 0.32 -0.43 0.00 -0.26 0.00 0.00 58.87 58.55 1pnm n SER 313 Cb 0.08 -0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 63.57 1pnm n SER 313 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pnm s ASP 314 N -2.86 6.88 0.38 4.04 -1.08 -0.76 -4.96 116.67 118.32 1pnm s ASP 314 Ca 0.15 0.98 0.06 0.00 -0.52 0.00 0.00 52.55 53.22 1pnm s ASP 314 Cb 0.16 -2.52 0.78 0.00 -1.46 0.00 0.00 42.92 39.88 1pnm s ASP 314 CO 0.41 -0.82 2.02 -0.65 0.52 0.00 0.00 175.17 176.65 1pnm h PRO 315 N 8.08 0.66 -0.32 4.34 0.11 -1.86 -1.47 132.00 141.54 1pnm h PRO 315 Ca -0.21 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.80 1pnm h PRO 315 Cb 1.07 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 1pnm h PRO 315 CO 1.00 0.44 -0.05 0.00 -0.21 0.00 0.00 178.00 179.18 1pnm h ARG 316 N 0.68 0.51 -0.14 1.05 3.08 -1.93 -2.06 114.38 115.58 1pnm h ARG 316 Ca 0.22 -0.12 -0.21 0.00 0.07 0.00 0.00 59.98 59.94 1pnm h ARG 316 Cb 0.04 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.03 1pnm h ARG 316 CO -0.06 0.58 -0.76 -0.09 -1.07 0.00 0.00 179.97 178.58 1pnm h ARG 317 N 0.49 0.69 -0.02 0.04 2.43 -1.58 -3.24 114.38 113.19 1pnm h ARG 317 Ca 0.10 -0.56 0.02 0.00 -0.81 0.00 0.00 59.98 58.74 1pnm h ARG 317 Cb 0.39 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 1pnm h ARG 317 CO 0.02 1.17 -0.12 1.96 -1.51 0.00 0.00 179.97 181.49 1pnm h GLN 318 N 0.47 -0.18 -0.66 0.20 4.20 -0.82 -0.81 115.11 117.52 1pnm h GLN 318 Ca -0.04 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.79 1pnm h GLN 318 Cb 1.37 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 29.11 1pnm h GLN 318 CO 0.15 -0.12 0.26 -0.07 -0.67 0.00 0.00 178.83 178.37 1pnm h LEU 319 N -0.19 0.25 -0.90 1.46 3.38 -1.50 -0.87 115.31 116.95 1pnm h LEU 319 Ca 0.05 0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 1pnm h LEU 319 Cb 0.25 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1pnm h LEU 319 CO -0.13 0.13 -0.46 0.58 0.09 0.00 0.00 178.44 178.65 1pnm h VAL 320 N 0.43 1.33 -0.04 1.22 2.07 -1.51 -2.94 116.25 116.81 1pnm h VAL 320 Ca 0.34 -1.63 -0.12 0.00 0.82 0.00 0.00 66.70 66.11 1pnm h VAL 320 Cb 0.45 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1pnm h VAL 320 CO -0.34 0.48 -0.54 -0.33 0.02 0.00 0.00 177.57 176.87 1pnm h GLU 321 N 0.17 0.10 0.07 1.57 5.08 0.15 -0.50 114.58 121.23 1pnm h GLU 321 Ca 0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1pnm h GLU 321 Cb 0.88 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1pnm h GLU 321 CO 0.07 0.61 -0.07 1.15 -1.00 0.00 0.00 179.01 179.77 1pnm h THR 322 N 0.08 0.83 -0.59 1.13 2.02 -1.07 -2.45 112.91 112.85 1pnm h THR 322 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1pnm h THR 322 Cb 0.97 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 1pnm h THR 322 CO 0.08 0.00 0.22 -0.07 0.37 0.00 0.00 175.52 176.11 1pnm h LEU 323 N -0.16 0.80 -1.03 2.58 3.38 -1.47 -2.61 115.31 116.79 1pnm h LEU 323 Ca 0.01 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1pnm h LEU 323 Cb 0.16 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1pnm h LEU 323 CO -0.02 0.73 -0.06 0.74 0.09 0.00 0.00 178.44 179.91 1pnm h THR 324 N 0.85 1.23 0.00 0.22 2.02 -0.84 -2.83 112.91 113.56 1pnm h THR 324 Ca 0.20 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1pnm h THR 324 Cb 0.19 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1pnm h THR 324 CO -0.02 0.34 0.00 0.03 0.37 0.00 0.00 175.52 176.24 1pnm h ARG 325 N 0.58 0.00 -6.18 6.66 3.08 -1.07 -3.46 114.38 113.99 1pnm h ARG 325 Ca 0.11 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.58 1pnm h ARG 325 Cb 0.46 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1pnm h ARG 325 CO 0.02 0.00 -0.15 -0.46 -1.07 0.00 0.00 179.97 178.32 1pnm s TRP 326 N -3.39 3.66 -0.96 3.04 -0.00 -1.07 -5.03 118.94 115.19 1pnm s TRP 326 Ca 0.05 1.01 0.24 0.00 -0.00 0.00 0.00 56.10 57.40 1pnm s TRP 326 Cb 0.08 -2.31 0.35 0.00 -0.00 0.00 0.00 33.47 31.59 1pnm s TRP 326 CO 0.57 0.53 1.31 -0.40 -0.00 0.00 0.00 176.95 178.96 1pnm n ASP 327 N 1.22 0.59 0.00 5.86 5.68 -1.26 -4.96 116.55 123.69 1pnm n ASP 327 Ca -0.09 -0.35 0.00 0.00 -0.50 0.00 0.00 54.79 53.85 1pnm n ASP 327 Cb 0.52 0.40 0.00 0.00 -1.14 0.00 0.00 41.12 40.90 1pnm n ASP 327 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pnm n GLY 328 N 1.48 0.90 3.61 6.12 0.00 -1.26 -4.93 105.19 111.11 1pnm n GLY 328 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1pnm n GLY 328 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pnm s ILE 329 N -2.71 4.85 0.00 -0.61 -1.09 -1.26 -0.09 121.20 120.29 1pnm s ILE 329 Ca 0.00 1.08 -0.25 0.00 -2.23 0.00 0.00 60.65 59.26 1pnm s ILE 329 Cb 0.00 -4.09 -0.05 0.00 -1.58 0.00 0.00 42.46 36.75 1pnm s ILE 329 CO 0.00 -0.19 0.75 0.20 -1.23 0.00 0.00 174.94 174.47 1pnm s ASN 330 N 1.61 7.14 -0.01 3.58 0.01 0.37 -4.98 114.94 122.66 1pnm s ASN 330 Ca 0.30 1.37 0.03 0.00 -0.71 0.00 0.00 52.86 53.85 1pnm s ASN 330 Cb -0.14 -2.45 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 1pnm s ASN 330 CO 0.12 -0.04 -0.11 -0.76 -1.51 0.00 0.00 177.10 174.79 1pnm s LEU 331 N 0.29 2.03 0.52 0.60 1.43 -1.26 -4.82 118.68 117.46 1pnm s LEU 331 Ca 0.39 -0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 53.10 1pnm s LEU 331 Cb -0.20 -0.57 -0.08 0.00 0.03 0.00 0.00 46.19 45.37 1pnm s LEU 331 CO 0.22 0.13 1.00 -0.76 0.23 0.00 0.00 176.35 177.17 1pnm s LEU 332 N -0.30 3.66 0.93 1.79 1.43 -1.26 -1.80 118.68 123.13 1pnm s LEU 332 Ca 0.04 1.66 -0.15 0.00 -1.03 0.00 0.00 54.13 54.66 1pnm s LEU 332 Cb -0.04 -4.52 0.16 0.00 0.03 0.00 0.00 46.19 41.81 1pnm s LEU 332 CO -0.00 -0.68 1.24 0.20 0.23 0.00 0.00 176.35 177.33 1pnm s ASN 333 N -2.80 3.43 0.59 2.29 0.01 0.53 -4.76 114.94 114.23 1pnm s ASN 333 Ca 0.61 0.54 0.29 0.00 -0.71 0.00 0.00 52.86 53.59 1pnm s ASN 333 Cb -0.11 -0.80 1.74 0.00 0.41 0.00 0.00 41.25 42.48 1pnm s ASN 333 CO 0.29 -2.56 2.19 0.44 -1.51 0.00 0.00 177.10 175.94 1pnm h ASP 334 N -1.51 0.00 0.81 -1.22 3.32 -1.97 -2.64 116.42 113.21 1pnm h ASP 334 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1pnm h ASP 334 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1pnm h ASP 334 CO 0.49 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.11 1pnm n ASP 335 N -3.85 0.54 -1.68 6.45 5.68 -1.26 -4.93 116.55 117.49 1pnm n ASP 335 Ca -0.01 0.61 -0.17 0.00 -0.50 0.00 0.00 54.79 54.72 1pnm n ASP 335 Cb 0.19 -0.73 -0.04 0.00 -1.14 0.00 0.00 41.12 39.40 1pnm n ASP 335 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pnm n GLY 336 N 0.26 0.57 0.00 6.12 0.00 -1.00 -4.79 105.19 106.36 1pnm n GLY 336 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1pnm n GLY 336 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1pnm n LYS 337 N -2.59 3.23 -4.31 1.61 2.85 -1.26 -4.90 118.16 112.79 1pnm n LYS 337 Ca -0.19 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 56.86 1pnm n LYS 337 Cb 0.62 -0.27 -0.11 0.00 -0.65 0.00 0.00 35.03 34.62 1pnm n LYS 337 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1pnm s THR 338 N 0.00 1.70 0.36 0.58 -4.23 -1.26 -2.03 115.64 110.77 1pnm s THR 338 Ca 0.00 -1.85 -0.16 0.00 -1.18 0.00 0.00 61.69 58.51 1pnm s THR 338 Cb 0.00 -1.75 -0.09 0.00 1.34 0.00 0.00 72.50 71.99 1pnm s THR 338 CO 0.00 -0.32 0.80 0.26 -0.54 0.00 0.00 174.62 174.82 1pnm s TRP 339 N -2.00 3.37 0.17 3.99 0.51 0.19 -0.35 118.94 124.82 1pnm s TRP 339 Ca 0.14 1.30 -0.11 0.00 -2.12 0.00 0.00 56.10 55.30 1pnm s TRP 339 Cb -0.06 -2.60 0.06 0.00 -0.81 0.00 0.00 33.47 30.05 1pnm s TRP 339 CO 0.06 0.01 1.65 1.96 -0.51 0.00 0.00 176.95 180.12 1pnm h GLN 340 N 2.03 0.96 -6.80 4.98 4.20 -1.65 -3.37 115.11 115.46 1pnm h GLN 340 Ca -0.48 -0.26 -0.69 0.00 0.06 0.00 0.00 58.65 57.28 1pnm h GLN 340 Cb 1.18 -0.11 -0.23 0.00 0.30 0.00 0.00 27.48 28.61 1pnm h GLN 340 CO 0.64 0.92 -0.86 -0.65 -0.67 0.00 0.00 178.83 178.21 1pnm s GLN 341 N -5.18 1.64 0.00 1.46 -1.52 -1.26 -5.02 119.66 109.78 1pnm s GLN 341 Ca -0.12 -1.22 0.21 0.00 -1.95 0.00 0.00 55.36 52.28 1pnm s GLN 341 Cb 0.13 -1.97 0.94 0.00 -0.22 0.00 0.00 33.01 31.89 1pnm s GLN 341 CO 0.83 0.48 1.64 -0.35 -0.25 0.00 0.00 175.29 177.65 1pnm n PRO 342 N 1.27 1.41 -0.29 2.91 -0.04 -1.26 -4.60 135.00 134.40 1pnm n PRO 342 Ca -0.17 -0.62 0.03 0.00 -0.04 0.00 0.00 63.50 62.70 1pnm n PRO 342 Cb 0.52 -1.36 0.10 0.00 -0.04 0.00 0.00 33.50 32.73 1pnm n PRO 342 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1pnm h GLY 343 N 5.16 0.58 1.16 0.55 0.00 -1.97 -1.87 103.07 106.68 1pnm h GLY 343 Ca 0.00 0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.56 1pnm h GLY 343 CO 0.00 -0.31 0.21 1.76 0.00 0.00 0.00 176.54 178.19 1pnm h SER 344 N -0.00 0.99 -0.42 0.19 0.02 -1.98 -0.29 113.55 112.06 1pnm h SER 344 Ca 0.40 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 1pnm h SER 344 Cb 0.61 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1pnm h SER 344 CO -0.86 0.92 0.14 0.00 -1.14 0.00 0.00 176.83 175.90 1pnm h ALA 345 N 1.20 0.54 0.54 3.77 0.00 -1.70 -0.93 119.26 122.70 1pnm h ALA 345 Ca 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1pnm h ALA 345 Cb 0.30 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1pnm h ALA 345 CO -0.01 0.18 -0.29 0.82 0.00 0.00 0.00 179.25 179.95 1pnm h ILE 346 N 0.53 0.40 -0.60 0.00 2.04 -1.26 -2.02 117.51 116.61 1pnm h ILE 346 Ca 0.14 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.01 1pnm h ILE 346 Cb 0.24 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1pnm h ILE 346 CO -0.01 0.00 0.40 -0.07 0.00 0.00 0.00 178.15 178.47 1pnm h LEU 347 N -0.77 0.66 -0.06 1.44 3.38 -1.02 0.78 115.31 119.71 1pnm h LEU 347 Ca -0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1pnm h LEU 347 Cb 0.61 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1pnm h LEU 347 CO 0.10 0.47 0.01 -1.13 0.09 0.00 0.00 178.44 177.98 1pnm h ASN 348 N 0.78 0.10 -0.29 -0.43 -0.00 -1.02 -0.55 115.58 114.17 1pnm h ASN 348 Ca 0.22 -0.26 -0.06 0.00 -0.00 0.00 0.00 56.30 56.20 1pnm h ASN 348 Cb -0.05 -0.03 -0.01 0.00 -0.00 0.00 0.00 38.32 38.24 1pnm h ASN 348 CO -0.05 0.33 -0.07 0.58 -0.00 0.00 0.00 177.43 178.22 1pnm h VAL 349 N -0.14 1.28 0.21 2.57 2.07 -1.01 -1.96 116.25 119.28 1pnm h VAL 349 Ca 0.02 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1pnm h VAL 349 Cb 0.27 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1pnm h VAL 349 CO 0.00 0.35 -0.17 -0.25 0.02 0.00 0.00 177.57 177.52 1pnm h TRP 350 N 0.32 -0.44 -0.81 1.57 7.01 -0.85 -2.51 115.95 120.24 1pnm h TRP 350 Ca 0.07 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.08 1pnm h TRP 350 Cb 0.55 0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.73 1pnm h TRP 350 CO 0.05 -0.26 0.53 1.25 -2.79 0.00 0.00 178.44 177.23 1pnm h LEU 351 N -0.39 0.94 -0.73 0.65 5.85 -1.10 0.49 115.31 121.02 1pnm h LEU 351 Ca -0.01 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.70 1pnm h LEU 351 Cb 0.35 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1pnm h LEU 351 CO -0.01 0.69 0.48 0.74 -0.34 0.00 0.00 178.44 179.99 1pnm h THR 352 N 1.11 1.16 -0.20 1.05 2.02 -1.20 -1.25 112.91 115.59 1pnm h THR 352 Ca 0.30 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 1pnm h THR 352 Cb -0.12 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 1pnm h THR 352 CO -0.06 0.18 0.03 -1.28 0.37 0.00 0.00 175.52 174.75 1pnm h SER 353 N 0.96 0.32 -0.48 4.18 0.87 -1.05 -1.94 113.55 116.41 1pnm h SER 353 Ca 0.28 -0.27 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1pnm h SER 353 Cb -0.07 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 1pnm h SER 353 CO -0.08 0.51 0.27 0.24 -0.53 0.00 0.00 176.83 177.25 1pnm h MET 354 N 0.12 0.53 -0.44 2.24 2.07 -0.65 -2.18 114.93 116.62 1pnm h MET 354 Ca 0.06 -0.03 -0.01 0.00 -2.07 0.00 0.00 59.70 57.64 1pnm h MET 354 Cb 0.33 -0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 29.92 1pnm h MET 354 CO 0.01 0.35 0.22 -0.07 1.07 0.00 0.00 176.91 178.48 1pnm h LEU 355 N 0.54 0.57 -1.14 1.22 3.38 -1.16 -1.84 115.31 116.89 1pnm h LEU 355 Ca 0.20 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1pnm h LEU 355 Cb 0.04 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 1pnm h LEU 355 CO -0.10 0.53 0.57 0.50 0.09 0.00 0.00 178.44 180.02 1pnm h LYS 356 N 0.57 1.14 0.00 1.13 3.64 -0.95 -1.40 116.57 120.70 1pnm h LYS 356 Ca 0.15 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1pnm h LYS 356 Cb 0.11 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1pnm h LYS 356 CO -0.02 0.76 -0.32 0.00 -2.27 0.00 0.00 179.45 177.60 1pnm h ARG 357 N 1.18 0.00 0.00 1.90 3.08 -1.22 -3.30 114.38 116.02 1pnm h ARG 357 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1pnm h ARG 357 Cb -0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1pnm h ARG 357 CO -0.07 0.32 0.00 0.25 -1.07 0.00 0.00 179.97 179.41 1pnm n THR 358 N -3.22 0.00 -0.02 2.04 -2.24 -0.71 -4.71 114.28 105.43 1pnm n THR 358 Ca 0.02 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.71 1pnm n THR 358 Cb 0.63 -0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 1pnm n THR 358 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1pnm h VAL 359 N 0.00 0.68 -0.77 2.28 2.07 -1.76 -2.69 116.25 116.05 1pnm h VAL 359 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1pnm h VAL 359 Cb 0.00 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 1pnm h VAL 359 CO 0.00 0.00 0.47 0.58 0.02 0.00 0.00 177.57 178.64 1pnm h VAL 360 N -0.11 1.04 -0.79 2.57 2.07 -1.50 -2.66 116.25 116.87 1pnm h VAL 360 Ca 0.10 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1pnm h VAL 360 Cb 0.25 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 1pnm h VAL 360 CO -0.23 0.16 0.43 0.00 0.02 0.00 0.00 177.57 177.95 1pnm h ALA 361 N 1.36 1.01 0.00 1.67 0.00 -1.59 -3.00 119.26 118.71 1pnm h ALA 361 Ca 0.33 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1pnm h ALA 361 Cb 0.13 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1pnm h ALA 361 CO -0.16 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.61 1pnm h ALA 362 N 1.23 1.00 -3.22 0.00 0.00 -1.16 -3.45 119.26 113.66 1pnm h ALA 362 Ca 0.28 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.56 1pnm h ALA 362 Cb 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.67 1pnm h ALA 362 CO -0.04 0.00 -0.57 0.08 0.00 0.00 0.00 179.25 178.71 1pnm s VAL 363 N -3.57 4.72 0.58 0.00 1.01 -1.13 -5.09 120.40 116.92 1pnm s VAL 363 Ca 0.02 -0.07 -0.20 0.00 0.00 0.00 0.00 61.98 61.74 1pnm s VAL 363 Cb 0.08 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1pnm s VAL 363 CO 0.55 0.50 1.28 -2.84 0.00 0.00 0.00 175.10 174.60 1pnm s PRO 364 N 0.01 2.98 0.36 2.72 0.02 -1.26 -4.26 135.00 135.56 1pnm s PRO 364 Ca 0.05 2.03 -0.26 0.00 0.02 0.00 0.00 61.00 62.84 1pnm s PRO 364 Cb -0.12 -2.06 -0.09 0.00 0.02 0.00 0.00 34.50 32.25 1pnm s PRO 364 CO 0.01 -1.26 1.12 -1.64 -0.33 0.00 0.00 177.00 174.90 1pnm s MET 365 N -3.15 4.27 -0.30 5.54 -1.94 -1.26 -1.36 119.30 121.11 1pnm s MET 365 Ca 0.76 1.74 0.11 0.00 -1.71 0.00 0.00 55.69 56.59 1pnm s MET 365 Cb -0.36 -2.80 0.78 0.00 2.01 0.00 0.00 34.83 34.46 1pnm s MET 365 CO 0.40 -0.10 1.80 -0.35 -0.01 0.00 0.00 175.02 176.76 1pnm n PRO 366 N 0.39 4.19 0.25 2.03 -0.04 -1.26 -4.90 135.00 135.67 1pnm n PRO 366 Ca 0.03 -3.13 0.15 0.00 -0.04 0.00 0.00 63.50 60.50 1pnm n PRO 366 Cb 0.47 -2.25 0.51 0.00 -0.04 0.00 0.00 33.50 32.18 1pnm n PRO 366 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1pnm h PHE 367 N 3.18 0.00 -0.12 0.54 0.04 -1.54 -3.00 116.94 116.04 1pnm h PHE 367 Ca 0.18 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 1pnm h PHE 367 Cb 2.25 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 40.39 1pnm h PHE 367 CO 1.25 0.03 0.06 0.38 -0.60 0.00 0.00 178.31 179.43 1pnm h ASP 368 N 0.00 0.14 0.76 2.17 2.03 -1.64 -2.50 116.42 117.38 1pnm h ASP 368 Ca -0.00 -0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 56.28 1pnm h ASP 368 Cb 0.69 -0.03 -0.00 0.00 -0.83 0.00 0.00 39.33 39.15 1pnm h ASP 368 CO 0.00 0.12 -0.06 0.11 -1.03 0.00 0.00 179.24 178.38 1pnm h LYS 369 N 0.16 0.00 0.00 4.15 6.56 -1.86 -2.75 116.57 122.83 1pnm h LYS 369 Ca 0.04 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.58 1pnm h LYS 369 Cb 0.01 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.66 1pnm h LYS 369 CO -0.01 0.06 -0.25 -1.49 -2.06 0.00 0.00 179.45 175.71 1pnm h TRP 370 N 0.00 0.00 -0.13 -1.35 6.55 -1.66 -3.23 115.95 116.13 1pnm h TRP 370 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1pnm h TRP 370 Cb 0.46 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.76 1pnm h TRP 370 CO 0.00 0.25 0.00 0.66 -1.05 0.00 0.00 178.44 178.30 1pnm n TYR 371 N -3.77 0.16 0.86 0.49 4.01 -1.04 -4.66 117.16 113.20 1pnm n TYR 371 Ca -0.01 -0.13 0.13 0.00 -0.16 0.00 0.00 57.90 57.73 1pnm n TYR 371 Cb 0.35 -0.00 0.36 0.00 -0.31 0.00 0.00 39.34 39.73 1pnm n TYR 371 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1pnm n SER 372 N 0.85 0.44 -4.75 7.72 3.41 -1.21 -4.22 113.62 115.86 1pnm n SER 372 Ca 0.11 0.16 -0.41 0.00 -0.26 0.00 0.00 58.87 58.47 1pnm n SER 372 Cb 0.40 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.19 1pnm n SER 372 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pnm s ALA 373 N -3.05 3.40 -0.27 7.33 0.00 -1.26 -4.84 121.76 123.07 1pnm s ALA 373 Ca 0.11 0.89 0.22 0.00 0.00 0.00 0.00 51.96 53.18 1pnm s ALA 373 Cb 0.16 -3.35 0.06 0.00 0.00 0.00 0.00 23.12 19.99 1pnm s ALA 373 CO 0.64 -0.22 1.15 0.66 0.00 0.00 0.00 175.76 177.99 1pnm h SER 374 N 4.42 0.00 0.00 0.00 4.64 -1.91 -3.42 113.55 117.28 1pnm h SER 374 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1pnm h SER 374 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1pnm h SER 374 CO 0.70 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 1pnm n GLY 375 N 1.17 0.91 1.13 -0.77 0.00 -1.26 -4.25 105.19 102.12 1pnm n GLY 375 Ca 0.01 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1pnm n GLY 375 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pnm n TYR 376 N -2.17 1.09 0.00 1.61 4.02 -1.26 -4.57 117.16 115.87 1pnm n TYR 376 Ca 0.00 -0.69 0.00 0.00 -0.01 0.00 0.00 57.90 57.20 1pnm n TYR 376 Cb 0.00 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.08 1pnm n TYR 376 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 1pnm n GLU 377 N 0.34 0.00 -0.57 -0.72 0.28 -1.26 -4.97 120.64 113.74 1pnm n GLU 377 Ca 0.21 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.22 1pnm n GLU 377 Cb 0.80 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.67 1pnm n GLU 377 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1pnm n THR 378 N 0.00 -0.05 -3.24 3.84 -2.24 -1.26 -5.04 114.28 106.28 1pnm n THR 378 Ca 0.00 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1pnm n THR 378 Cb 0.00 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 1pnm n THR 378 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1pnm n THR 379 N -2.85 0.00 -0.15 4.28 -2.24 -1.26 -4.99 114.28 107.07 1pnm n THR 379 Ca -0.01 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.69 1pnm n THR 379 Cb 0.18 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.48 1pnm n THR 379 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1pnm h GLN 380 N 0.00 0.92 0.00 -0.78 4.20 -1.99 -2.86 115.11 114.60 1pnm h GLN 380 Ca 0.00 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1pnm h GLN 380 Cb 0.00 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1pnm h GLN 380 CO 0.00 0.98 0.00 -0.25 -0.67 0.00 0.00 178.83 178.89 1pnm n ASP 381 N -4.15 0.00 0.00 1.46 8.00 -1.26 -4.70 116.55 115.90 1pnm n ASP 381 Ca 0.02 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1pnm n ASP 381 Cb 0.39 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1pnm n ASP 381 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pnm n GLY 382 N 0.85 -2.08 3.75 0.44 0.00 -1.08 -2.72 105.19 104.34 1pnm n GLY 382 Ca 0.10 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.20 1pnm n GLY 382 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1pnm s PRO 383 N -0.08 3.23 0.32 1.61 0.02 -1.26 -4.15 135.00 134.70 1pnm s PRO 383 Ca 0.00 2.14 0.24 0.00 0.02 0.00 0.00 61.00 63.40 1pnm s PRO 383 Cb 0.00 -2.27 0.49 0.00 0.02 0.00 0.00 34.50 32.74 1pnm s PRO 383 CO 0.00 -1.08 1.62 1.79 -0.33 0.00 0.00 177.00 179.00 1pnm h THR 384 N 1.49 0.00 -0.84 0.99 1.35 -1.96 -3.45 112.91 110.49 1pnm h THR 384 Ca -0.51 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 1pnm h THR 384 Cb 1.29 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 1pnm h THR 384 CO 0.58 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 1pnm n GLY 385 N 1.19 3.79 3.73 5.82 0.00 -1.26 -4.15 105.19 114.31 1pnm n GLY 385 Ca 0.04 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 1pnm n GLY 385 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pnm s SER 386 N 1.67 4.20 0.03 1.61 1.04 -1.26 -5.00 113.70 115.99 1pnm s SER 386 Ca 0.00 2.15 -0.18 0.00 0.48 0.00 0.00 55.95 58.40 1pnm s SER 386 Cb 0.00 -2.56 -0.06 0.00 0.10 0.00 0.00 66.02 63.50 1pnm s SER 386 CO 0.00 -2.25 0.52 -0.76 0.98 0.00 0.00 173.24 171.73 1pnm s LEU 387 N -5.51 4.48 0.26 2.42 1.02 -1.26 -5.07 118.68 115.03 1pnm s LEU 387 Ca 0.69 1.13 -0.04 0.00 0.02 0.00 0.00 54.13 55.93 1pnm s LEU 387 Cb -0.24 -2.80 -0.02 0.00 0.02 0.00 0.00 46.19 43.16 1pnm s LEU 387 CO 0.49 0.25 0.33 0.21 0.02 0.00 0.00 176.35 177.65 1pnm s ASN 388 N -0.85 0.46 -0.11 2.29 3.84 -1.26 -5.09 114.94 114.22 1pnm s ASN 388 Ca 0.28 -1.33 -0.27 0.00 0.21 0.00 0.00 52.86 51.75 1pnm s ASN 388 Cb -0.18 0.53 -0.02 0.00 -0.55 0.00 0.00 41.25 41.03 1pnm s ASN 388 CO 0.17 -1.07 0.89 -0.63 -2.79 0.00 0.00 177.10 173.67 1pnm s ILE 389 N -3.76 4.87 0.86 -5.21 1.01 -1.26 -4.73 121.20 112.98 1pnm s ILE 389 Ca 0.32 1.79 -0.11 0.00 0.00 0.00 0.00 60.65 62.66 1pnm s ILE 389 Cb 0.02 -4.20 0.11 0.00 0.01 0.00 0.00 42.46 38.40 1pnm s ILE 389 CO 0.15 0.07 1.11 -0.94 0.00 0.00 0.00 174.94 175.33 1pnm s SER 390 N 1.06 3.66 0.14 3.58 1.04 -1.26 -4.82 113.70 117.10 1pnm s SER 390 Ca 0.43 1.88 -0.18 0.00 0.48 0.00 0.00 55.95 58.56 1pnm s SER 390 Cb -0.18 -2.47 -0.00 0.00 0.10 0.00 0.00 66.02 63.47 1pnm s SER 390 CO 0.17 -2.58 1.75 0.58 0.98 0.00 0.00 173.24 174.14 1pnm h VAL 391 N -1.51 0.92 -0.51 5.02 2.07 -1.85 -1.07 116.25 119.32 1pnm h VAL 391 Ca -0.45 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.08 1pnm h VAL 391 Cb 1.26 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.67 1pnm h VAL 391 CO 0.49 0.04 0.15 1.23 0.02 0.00 0.00 177.57 179.49 1pnm h GLY 392 N 0.20 0.66 1.20 2.17 0.00 -1.80 -1.36 103.07 104.13 1pnm h GLY 392 Ca 0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 1pnm h GLY 392 CO -0.13 -0.04 0.29 0.00 0.00 0.00 0.00 176.54 176.67 1pnm h ALA 393 N 1.37 1.19 -0.46 3.60 0.00 -1.70 0.26 119.26 123.53 1pnm h ALA 393 Ca 0.25 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1pnm h ALA 393 Cb 0.31 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1pnm h ALA 393 CO -0.29 0.59 -0.22 0.87 0.00 0.00 0.00 179.25 180.20 1pnm h LYS 394 N 1.01 0.94 -0.23 0.00 1.57 -0.64 -1.42 116.57 117.79 1pnm h LYS 394 Ca 0.24 -0.39 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 1pnm h LYS 394 Cb 0.18 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1pnm h LYS 394 CO -0.02 1.05 -0.07 0.82 -0.57 0.00 0.00 179.45 180.67 1pnm h ILE 395 N 0.81 1.29 -0.38 1.86 2.04 -1.05 -3.13 117.51 118.95 1pnm h ILE 395 Ca 0.11 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 1pnm h ILE 395 Cb 0.78 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 1pnm h ILE 395 CO 0.06 0.33 0.15 0.25 0.00 0.00 0.00 178.15 178.94 1pnm h LEU 396 N 0.19 0.48 -1.01 1.44 5.85 -0.36 -2.76 115.31 119.13 1pnm h LEU 396 Ca 0.06 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1pnm h LEU 396 Cb 0.53 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 1pnm h LEU 396 CO 0.02 0.44 0.58 0.22 -0.34 0.00 0.00 178.44 179.37 1pnm h TYR 397 N 0.53 1.21 -0.26 1.25 3.20 -1.21 -1.91 116.97 119.78 1pnm h TYR 397 Ca 0.13 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 1pnm h TYR 397 Cb 0.12 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 37.98 1pnm h TYR 397 CO 0.01 0.79 -0.01 0.93 -1.64 0.00 0.00 178.16 178.24 1pnm h GLU 398 N 1.28 0.47 -0.66 1.82 4.39 -1.46 -2.85 114.58 117.57 1pnm h GLU 398 Ca 0.34 -0.15 0.03 0.00 0.34 0.00 0.00 59.36 59.92 1pnm h GLU 398 Cb -0.09 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.48 1pnm h GLU 398 CO -0.07 0.64 0.40 0.00 -1.16 0.00 0.00 179.01 178.83 1pnm h ALA 399 N 0.81 0.86 0.00 3.43 0.00 -1.29 -2.18 119.26 120.89 1pnm h ALA 399 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1pnm h ALA 399 Cb 0.44 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1pnm h ALA 399 CO 0.02 0.15 0.00 1.33 0.00 0.00 0.00 179.25 180.75 1pnm n VAL 400 N -4.71 0.33 0.12 0.00 0.24 -0.76 -1.75 118.33 111.81 1pnm n VAL 400 Ca 0.07 0.08 0.09 0.00 -2.04 0.00 0.00 64.34 62.54 1pnm n VAL 400 Cb 0.09 -0.71 0.02 0.00 -1.47 0.00 0.00 33.84 31.78 1pnm n VAL 400 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1pnm h GLN 401 N 0.00 0.00 0.00 7.34 1.08 -1.15 -3.49 115.11 118.90 1pnm h GLN 401 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1pnm h GLN 401 Cb 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1pnm h GLN 401 CO 0.00 0.07 0.00 0.41 -0.95 0.00 0.00 178.83 178.36 1pnm n GLY 402 N 1.20 3.77 0.01 3.46 0.00 -0.72 -0.96 105.19 111.95 1pnm n GLY 402 Ca -0.01 0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.34 1pnm n GLY 402 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pnm n ASP 403 N 9.55 0.15 0.22 1.61 2.03 -1.26 -3.13 116.55 125.72 1pnm n ASP 403 Ca 0.00 0.18 0.13 0.00 0.52 0.00 0.00 54.79 55.61 1pnm n ASP 403 Cb 0.00 -0.28 0.25 0.00 -0.72 0.00 0.00 41.12 40.37 1pnm n ASP 403 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1pnm h LYS 404 N 0.06 0.00 -6.50 -0.67 1.63 -1.42 -3.44 116.57 106.23 1pnm h LYS 404 Ca 0.00 0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 59.27 1pnm h LYS 404 Cb 0.47 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 1pnm h LYS 404 CO 0.00 0.00 0.43 0.45 -3.45 0.00 0.00 179.45 176.88 1pnm s SER 405 N -6.01 7.32 0.00 4.20 0.15 -1.18 -4.98 113.70 113.20 1pnm s SER 405 Ca 0.06 1.84 0.23 0.00 0.70 0.00 0.00 55.95 58.79 1pnm s SER 405 Cb 0.06 -2.58 0.99 0.00 -1.71 0.00 0.00 66.02 62.77 1pnm s SER 405 CO 0.65 -0.26 1.74 -0.81 1.20 0.00 0.00 173.24 175.76 1pnm n PRO 406 N 3.40 0.00 -3.07 5.44 -0.04 -1.26 -4.70 135.00 134.76 1pnm n PRO 406 Ca 0.05 0.10 -0.42 0.00 -0.04 0.00 0.00 63.50 63.19 1pnm n PRO 406 Cb 0.49 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 1pnm n PRO 406 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1pnm s ILE 407 N -3.00 4.81 0.07 0.52 -1.09 -1.26 -5.01 121.20 116.24 1pnm s ILE 407 Ca 0.11 0.38 -0.32 0.00 -2.23 0.00 0.00 60.65 58.59 1pnm s ILE 407 Cb 0.15 -4.18 -0.11 0.00 -1.58 0.00 0.00 42.46 36.73 1pnm s ILE 407 CO 0.42 -0.51 1.81 -2.65 -1.23 0.00 0.00 174.94 172.78 1pnm n PRO 408 N 6.28 2.52 -2.93 2.79 -0.02 -1.26 -4.90 135.00 137.48 1pnm n PRO 408 Ca -0.00 0.92 -0.44 0.00 -2.02 0.00 0.00 63.50 61.95 1pnm n PRO 408 Cb 0.48 -2.78 -0.01 0.00 -0.02 0.00 0.00 33.50 31.17 1pnm n PRO 408 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1pnm s GLN 409 N 2.84 3.88 0.28 -0.52 -1.52 -1.26 -4.87 119.66 118.49 1pnm s GLN 409 Ca 0.85 -2.21 0.00 0.00 -1.95 0.00 0.00 55.36 52.04 1pnm s GLN 409 Cb -0.57 -5.02 0.51 0.00 -0.22 0.00 0.00 33.01 27.71 1pnm s GLN 409 CO 0.41 -1.79 1.85 0.00 -0.25 0.00 0.00 175.29 175.51 1pnm h ALA 410 N 7.89 1.47 -4.22 6.09 0.00 -2.05 -3.39 119.26 125.06 1pnm h ALA 410 Ca 0.25 0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.52 1pnm h ALA 410 Cb 0.94 -0.23 -0.31 0.00 0.00 0.00 0.00 17.79 18.19 1pnm h ALA 410 CO 1.19 0.28 -0.87 0.14 0.00 0.00 0.00 179.25 179.99 1pnm s VAL 411 N -5.98 1.87 -0.35 0.00 -7.23 -1.26 -5.09 120.40 102.36 1pnm s VAL 411 Ca -0.12 -0.99 -0.26 0.00 -1.81 0.00 0.00 61.98 58.81 1pnm s VAL 411 Cb 0.22 -1.58 0.01 0.00 0.56 0.00 0.00 36.38 35.59 1pnm s VAL 411 CO 0.81 0.53 0.91 -0.62 -0.31 0.00 0.00 175.10 176.42 1pnm s ASP 412 N -0.30 6.71 0.48 4.85 2.15 -1.26 -4.90 116.67 124.39 1pnm s ASP 412 Ca 0.02 0.65 0.27 0.00 0.43 0.00 0.00 52.55 53.92 1pnm s ASP 412 Cb -0.11 -2.46 1.10 0.00 -0.30 0.00 0.00 42.92 41.14 1pnm s ASP 412 CO 0.01 -0.81 1.89 -0.07 -0.17 0.00 0.00 175.17 176.03 1pnm h LEU 413 N 9.94 0.00 -0.51 -1.34 3.38 -1.94 -2.43 115.31 122.39 1pnm h LEU 413 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1pnm h LEU 413 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1pnm h LEU 413 CO 0.97 0.15 0.00 0.49 0.09 0.00 0.00 178.44 180.13 1pnm n PHE 414 N -3.32 0.01 -4.28 1.13 3.72 -1.26 -4.35 117.46 109.11 1pnm n PHE 414 Ca 0.00 -0.01 -0.30 0.00 -0.05 0.00 0.00 57.45 57.09 1pnm n PHE 414 Cb 0.38 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.83 1pnm n PHE 414 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pnm n ALA 415 N -0.37 -1.99 -0.17 4.37 0.00 -0.92 -1.54 120.51 119.89 1pnm n ALA 415 Ca 0.21 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1pnm n ALA 415 Cb 0.23 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1pnm n ALA 415 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pnm n GLY 416 N -2.48 1.84 3.86 0.00 0.00 -1.26 -5.05 105.19 102.09 1pnm n GLY 416 Ca -0.32 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 1pnm n GLY 416 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pnm s LYS 417 N -0.28 3.90 0.45 1.61 1.02 -0.59 -5.04 119.74 120.80 1pnm s LYS 417 Ca 0.00 0.40 -0.25 0.00 0.02 0.00 0.00 55.97 56.14 1pnm s LYS 417 Cb 0.00 -2.81 -0.08 0.00 -0.52 0.00 0.00 37.83 34.42 1pnm s LYS 417 CO 0.00 0.41 1.32 -1.25 -0.92 0.00 0.00 175.35 174.91 1pnm s PRO 418 N -2.31 3.73 0.20 -1.68 0.04 -1.26 -4.82 135.00 128.90 1pnm s PRO 418 Ca 0.42 2.18 -0.16 0.00 0.04 0.00 0.00 61.00 63.47 1pnm s PRO 418 Cb -0.13 -2.60 0.19 0.00 0.04 0.00 0.00 34.50 32.00 1pnm s PRO 418 CO 0.20 -0.70 1.62 1.96 0.04 0.00 0.00 177.00 180.12 1pnm h GLN 419 N 2.30 -0.06 -0.88 4.56 4.20 -1.96 -2.16 115.11 121.10 1pnm h GLN 419 Ca -0.50 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.37 1pnm h GLN 419 Cb 1.26 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.96 1pnm h GLN 419 CO 0.61 -0.04 0.46 0.37 -0.67 0.00 0.00 178.83 179.56 1pnm h GLN 420 N -0.06 0.60 -0.40 1.46 4.15 -1.95 -0.80 115.11 118.11 1pnm h GLN 420 Ca 0.27 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.57 1pnm h GLN 420 Cb 0.48 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 1pnm h GLN 420 CO -0.63 0.40 -0.09 1.49 -1.93 0.00 0.00 178.83 178.07 1pnm h GLU 421 N 0.62 0.70 -0.16 1.69 4.81 -1.76 -0.84 114.58 119.64 1pnm h GLU 421 Ca 0.49 -0.21 -0.12 0.00 -0.13 0.00 0.00 59.36 59.39 1pnm h GLU 421 Cb 0.73 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1pnm h GLU 421 CO -0.38 0.77 -0.37 0.28 -0.73 0.00 0.00 179.01 178.58 1pnm h VAL 422 N 0.64 1.35 0.02 0.32 2.07 -1.19 -2.35 116.25 117.12 1pnm h VAL 422 Ca 0.12 -1.63 0.01 0.00 0.82 0.00 0.00 66.70 66.02 1pnm h VAL 422 Cb 0.53 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 1pnm h VAL 422 CO 0.03 0.49 -0.10 0.58 0.02 0.00 0.00 177.57 178.60 1pnm h VAL 423 N 0.15 0.76 -0.86 2.57 2.07 -1.13 -1.33 116.25 118.49 1pnm h VAL 423 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1pnm h VAL 423 Cb 0.97 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1pnm h VAL 423 CO 0.08 0.00 0.44 -0.07 0.02 0.00 0.00 177.57 178.04 1pnm h LEU 424 N -0.18 1.10 -0.72 2.57 3.38 -1.22 -0.66 115.31 119.58 1pnm h LEU 424 Ca 0.03 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1pnm h LEU 424 Cb 0.21 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1pnm h LEU 424 CO -0.08 0.91 0.24 0.00 0.09 0.00 0.00 178.44 179.60 1pnm h ALA 425 N 1.26 0.94 -0.46 1.53 0.00 -0.97 -2.01 119.26 119.55 1pnm h ALA 425 Ca 0.30 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1pnm h ALA 425 Cb 0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1pnm h ALA 425 CO -0.04 0.61 -0.14 0.00 0.00 0.00 0.00 179.25 179.68 1pnm h ALA 426 N 1.12 0.87 0.00 0.00 0.00 -0.89 -2.66 119.26 117.70 1pnm h ALA 426 Ca 0.23 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1pnm h ALA 426 Cb 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1pnm h ALA 426 CO -0.01 0.64 -0.28 -0.07 0.00 0.00 0.00 179.25 179.53 1pnm h LEU 427 N 0.78 0.00 -0.17 0.00 3.38 -0.85 -0.83 115.31 117.61 1pnm h LEU 427 Ca 0.12 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.89 1pnm h LEU 427 Cb 0.67 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.42 1pnm h LEU 427 CO 0.05 0.28 -0.69 -0.08 0.09 0.00 0.00 178.44 178.09 1pnm h GLU 428 N 0.00 0.77 -0.41 1.13 4.81 -1.15 -1.46 114.58 118.27 1pnm h GLU 428 Ca -0.00 -0.60 -0.01 0.00 -0.13 0.00 0.00 59.36 58.62 1pnm h GLU 428 Cb 0.51 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1pnm h GLU 428 CO 0.04 1.21 0.22 -0.44 -0.73 0.00 0.00 179.01 179.31 1pnm h ASP 429 N 0.50 0.52 0.49 1.04 3.32 -1.13 -0.54 116.42 120.62 1pnm h ASP 429 Ca -0.04 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 1pnm h ASP 429 Cb 1.32 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 1pnm h ASP 429 CO 0.14 0.46 -0.27 0.74 -1.72 0.00 0.00 179.24 178.60 1pnm h THR 430 N 0.53 0.44 -0.25 0.35 2.02 -1.10 -1.47 112.91 113.44 1pnm h THR 430 Ca 0.14 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.36 1pnm h THR 430 Cb 0.06 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 1pnm h THR 430 CO -0.02 0.00 0.01 -0.25 0.37 0.00 0.00 175.52 175.63 1pnm h TRP 431 N -0.71 0.01 -0.27 3.16 2.91 -1.19 0.07 115.95 119.94 1pnm h TRP 431 Ca -0.06 0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.02 1pnm h TRP 431 Cb 0.56 0.03 -0.04 0.00 -0.51 0.00 0.00 29.16 29.20 1pnm h TRP 431 CO -0.07 -0.02 -0.01 1.49 -1.03 0.00 0.00 178.44 178.80 1pnm h GLU 432 N 0.09 0.07 -0.00 2.65 4.22 -0.97 -1.18 114.58 119.46 1pnm h GLU 432 Ca 0.12 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.55 1pnm h GLU 432 Cb 0.14 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1pnm h GLU 432 CO -0.19 0.04 0.00 1.15 -2.18 0.00 0.00 179.01 177.84 1pnm h THR 433 N 0.07 1.16 -0.08 0.32 2.02 -0.93 -3.10 112.91 112.37 1pnm h THR 433 Ca 0.13 -0.47 -0.23 0.00 0.77 0.00 0.00 66.41 66.60 1pnm h THR 433 Cb 0.17 1.48 0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1pnm h THR 433 CO -0.23 0.12 -0.87 -0.07 0.37 0.00 0.00 175.52 174.84 1pnm h LEU 434 N -0.20 0.83 -1.15 2.58 3.38 -0.95 -3.22 115.31 116.57 1pnm h LEU 434 Ca 0.00 -0.59 -0.06 0.00 0.09 0.00 0.00 57.88 57.32 1pnm h LEU 434 Cb 0.20 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1pnm h LEU 434 CO -0.00 1.38 -0.02 0.77 0.09 0.00 0.00 178.44 180.67 1pnm h SER 435 N 0.43 0.53 -0.82 -0.43 4.64 -1.33 -0.60 113.55 115.97 1pnm h SER 435 Ca -0.08 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 1pnm h SER 435 Cb 1.50 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 63.41 1pnm h SER 435 CO 0.17 0.62 0.48 0.50 -0.87 0.00 0.00 176.83 177.73 1pnm h LYS 436 N 0.54 1.13 0.16 4.77 3.11 -1.59 0.31 116.57 125.00 1pnm h LYS 436 Ca 0.11 -0.11 -0.33 0.00 -2.81 0.00 0.00 60.65 57.51 1pnm h LYS 436 Cb 0.37 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 1pnm h LYS 436 CO 0.01 0.80 -1.68 -0.09 -2.81 0.00 0.00 179.45 175.69 1pnm h ARG 437 N 1.13 0.33 0.00 1.90 2.43 -1.45 -3.41 114.38 115.31 1pnm h ARG 437 Ca 0.29 -0.56 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1pnm h ARG 437 Cb -0.02 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1pnm h ARG 437 CO -0.05 1.27 -1.07 0.66 -1.51 0.00 0.00 179.97 179.27 1pnm n TYR 438 N -3.69 0.00 0.00 2.20 4.01 -0.28 -5.12 117.16 114.28 1pnm n TYR 438 Ca -0.26 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 1pnm n TYR 438 Cb 1.01 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.92 1pnm n TYR 438 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pnm n GLY 439 N 1.44 -3.23 0.11 2.72 0.00 0.11 -4.75 105.19 101.58 1pnm n GLY 439 Ca 0.01 -2.12 0.12 0.00 0.00 0.00 0.00 46.02 44.03 1pnm n GLY 439 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1pnm h ASN 440 N 0.00 0.00 -2.33 1.61 2.35 -1.95 -3.38 115.58 111.89 1pnm h ASN 440 Ca 0.00 -0.06 -0.68 0.00 -0.55 0.00 0.00 56.30 55.01 1pnm h ASN 440 Cb 0.00 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.20 1pnm h ASN 440 CO 0.00 0.03 0.85 0.21 -1.65 0.00 0.00 177.43 176.87 1pnm s ASN 441 N -5.09 6.56 0.48 5.81 3.04 -1.26 -4.88 114.94 119.59 1pnm s ASN 441 Ca 0.02 -1.87 0.22 0.00 0.04 0.00 0.00 52.86 51.26 1pnm s ASN 441 Cb 0.10 -2.41 1.24 0.00 -1.54 0.00 0.00 41.25 38.64 1pnm s ASN 441 CO 0.77 -1.14 1.93 0.58 -3.04 0.00 0.00 177.10 176.19 1pnm h VAL 442 N 5.93 0.71 0.00 -5.21 2.07 -1.94 -1.40 116.25 116.42 1pnm h VAL 442 Ca 0.11 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1pnm h VAL 442 Cb 1.03 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1pnm h VAL 442 CO 1.14 0.04 -0.02 0.28 0.02 0.00 0.00 177.57 179.03 1pnm h SER 443 N 0.22 0.00 -0.16 0.57 0.02 -2.00 -2.66 113.55 109.55 1pnm h SER 443 Ca 0.36 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1pnm h SER 443 Cb 1.10 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 1pnm h SER 443 CO -0.07 0.02 -0.01 -0.46 -1.14 0.00 0.00 176.83 175.17 1pnm n ASN 444 N -3.26 3.23 -4.68 3.07 2.04 -0.53 -4.99 115.26 110.15 1pnm n ASN 444 Ca -0.02 -3.07 -0.42 0.00 -0.44 0.00 0.00 54.58 50.62 1pnm n ASN 444 Cb 0.15 -0.50 -0.03 0.00 -2.53 0.00 0.00 39.78 36.87 1pnm n ASN 444 CO 0.00 0.00 0.00 0.26 -0.44 0.00 0.00 177.26 177.08 1pnm s TRP 445 N -2.86 2.80 -0.56 -2.53 0.52 -1.01 -4.96 118.94 110.34 1pnm s TRP 445 Ca 0.38 0.86 0.01 0.00 0.02 0.00 0.00 56.10 57.37 1pnm s TRP 445 Cb 0.32 -3.61 0.14 0.00 -1.15 0.00 0.00 33.47 29.17 1pnm s TRP 445 CO 0.06 -2.24 0.33 0.15 0.02 0.00 0.00 176.95 175.27 1pnm s LYS 446 N 2.83 2.20 0.26 4.98 1.02 -1.26 -4.69 119.74 125.08 1pnm s LYS 446 Ca 0.61 -2.56 -0.17 0.00 0.02 0.00 0.00 55.97 53.87 1pnm s LYS 446 Cb -0.28 -3.49 -0.08 0.00 -0.52 0.00 0.00 37.83 33.46 1pnm s LYS 446 CO 0.23 -1.13 0.71 0.95 -0.92 0.00 0.00 175.35 175.19 1pnm s THR 447 N -0.16 4.65 0.13 2.17 -4.23 -1.26 -4.90 115.64 112.04 1pnm s THR 447 Ca 0.17 1.08 -0.31 0.00 -1.18 0.00 0.00 61.69 61.45 1pnm s THR 447 Cb -0.23 -3.74 -0.08 0.00 1.34 0.00 0.00 72.50 69.79 1pnm s THR 447 CO -0.02 0.05 1.32 -2.16 -0.54 0.00 0.00 174.62 173.27 1pnm s PRO 448 N -2.40 4.37 0.40 3.99 0.04 -1.26 0.56 135.00 140.70 1pnm s PRO 448 Ca 0.47 2.00 -0.17 0.00 0.04 0.00 0.00 61.00 63.33 1pnm s PRO 448 Cb -0.14 -3.25 -0.10 0.00 0.04 0.00 0.00 34.50 31.06 1pnm s PRO 448 CO 0.19 -0.32 0.86 0.00 0.04 0.00 0.00 177.00 177.77 1pnm s ALA 449 N 0.72 3.17 0.32 8.56 0.00 -0.86 -4.67 121.76 129.00 1pnm s ALA 449 Ca 0.60 0.19 -0.16 0.00 0.00 0.00 0.00 51.96 52.60 1pnm s ALA 449 Cb -0.35 -2.97 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 1pnm s ALA 449 CO 0.33 0.16 0.74 -1.64 0.00 0.00 0.00 175.76 175.35 1pnm s MET 450 N -3.25 4.04 0.42 0.00 -1.94 -1.26 -4.92 119.30 112.38 1pnm s MET 450 Ca 0.58 0.71 0.07 0.00 -1.71 0.00 0.00 55.69 55.34 1pnm s MET 450 Cb -0.10 -2.46 -0.05 0.00 2.01 0.00 0.00 34.83 34.23 1pnm s MET 450 CO 0.18 0.17 0.16 0.00 -0.01 0.00 0.00 175.02 175.52 1pnm s ALA 451 N -1.95 3.56 -0.12 3.03 0.00 -1.26 -1.96 121.76 123.07 1pnm s ALA 451 Ca 0.53 -2.08 0.02 0.00 0.00 0.00 0.00 51.96 50.44 1pnm s ALA 451 Cb -0.11 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 1pnm s ALA 451 CO 0.18 -0.17 -0.20 -1.17 0.00 0.00 0.00 175.76 174.40 1pnm s LEU 452 N -3.89 2.30 -0.10 0.00 2.96 -0.57 -3.60 118.68 115.79 1pnm s LEU 452 Ca 0.39 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.83 1pnm s LEU 452 Cb 0.05 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 45.26 1pnm s LEU 452 CO 0.21 0.14 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.33 1pnm s THR 453 N 0.49 1.55 -0.76 3.68 2.01 -1.10 0.68 115.64 122.19 1pnm s THR 453 Ca -0.13 -0.69 -0.18 0.00 0.31 0.00 0.00 61.69 61.00 1pnm s THR 453 Cb -0.17 -1.39 0.14 0.00 0.01 0.00 0.00 72.50 71.09 1pnm s THR 453 CO 0.05 0.45 0.86 -0.36 -0.69 0.00 0.00 174.62 174.94 1pnm s PHE 454 N 0.79 3.19 0.32 4.92 0.40 0.16 -4.44 117.98 123.32 1pnm s PHE 454 Ca -0.11 -1.31 -0.28 0.00 -0.60 0.00 0.00 56.93 54.63 1pnm s PHE 454 Cb -0.16 -4.07 -0.09 0.00 0.51 0.00 0.00 43.02 39.21 1pnm s PHE 454 CO 0.02 -1.31 1.09 1.03 0.70 0.00 0.00 175.22 176.75 1pnm s ARG 455 N 2.18 4.48 0.44 0.44 0.52 -0.68 -1.46 118.95 124.87 1pnm s ARG 455 Ca 0.20 1.74 0.24 0.00 -0.52 0.00 0.00 55.73 57.39 1pnm s ARG 455 Cb -0.15 -3.00 0.52 0.00 0.52 0.00 0.00 34.95 32.85 1pnm s ARG 455 CO -0.02 0.09 1.67 0.00 0.02 0.00 0.00 175.30 177.06 1pnm h ALA 456 N 3.41 0.96 -2.69 2.13 0.00 -1.89 0.17 119.26 121.35 1pnm h ALA 456 Ca -0.47 -0.08 -0.65 0.00 0.00 0.00 0.00 54.91 53.71 1pnm h ALA 456 Cb 1.21 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 1pnm h ALA 456 CO 0.65 0.10 -0.42 -0.80 0.00 0.00 0.00 179.25 178.79 1pnm s ASN 457 N -6.15 6.47 1.12 0.00 -0.87 -1.26 -1.55 114.94 112.69 1pnm s ASN 457 Ca 0.05 0.56 -0.18 0.00 -1.57 0.00 0.00 52.86 51.72 1pnm s ASN 457 Cb 0.06 -2.11 0.26 0.00 -0.02 0.00 0.00 41.25 39.44 1pnm s ASN 457 CO 0.66 0.37 1.18 0.54 -2.57 0.00 0.00 177.10 177.28 1pnm s ASN 458 N -0.93 1.65 0.60 -1.22 2.20 0.15 -4.85 114.94 112.54 1pnm s ASN 458 Ca 0.16 0.51 0.29 0.00 -0.94 0.00 0.00 52.86 52.89 1pnm s ASN 458 Cb -0.13 -0.69 1.61 0.00 -2.00 0.00 0.00 41.25 40.04 1pnm s ASN 458 CO 0.06 -3.66 2.02 2.19 -2.94 0.00 0.00 177.10 174.76 1pnm h PHE 459 N -2.27 0.00 0.00 1.54 -5.15 -1.93 0.10 116.94 109.22 1pnm h PHE 459 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 1pnm h PHE 459 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.44 1pnm h PHE 459 CO -1.81 0.00 0.00 0.74 -2.00 0.00 0.00 178.31 175.24 1pnm h PHE 460 N 0.00 0.00 0.00 6.09 0.04 -2.02 -3.46 116.94 117.58 1pnm h PHE 460 Ca 0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1pnm h PHE 460 Cb 0.73 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.88 1pnm h PHE 460 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 1pnm n GLY 461 N 1.00 0.80 3.66 -1.45 0.00 0.02 -5.07 105.19 104.15 1pnm n GLY 461 Ca 0.05 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1pnm n GLY 461 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pnm s VAL 462 N -2.00 4.90 0.24 1.61 1.01 -1.25 -4.83 120.40 120.07 1pnm s VAL 462 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 61.98 61.67 1pnm s VAL 462 Cb 0.00 -3.20 -0.13 0.00 0.00 0.00 0.00 36.38 33.05 1pnm s VAL 462 CO 0.00 0.47 1.47 -2.65 0.00 0.00 0.00 175.10 174.40 1pnm n PRO 463 N 3.38 2.19 -0.02 2.72 -0.02 -1.26 0.35 135.00 142.33 1pnm n PRO 463 Ca -0.17 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1pnm n PRO 463 Cb 0.52 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1pnm n PRO 463 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pnm n GLN 464 N 2.31 1.25 -3.70 -0.52 10.64 -0.60 -4.78 117.38 121.99 1pnm n GLN 464 Ca 0.12 -0.98 -0.01 0.00 -1.83 0.00 0.00 57.00 54.30 1pnm n GLN 464 Cb 0.32 -0.73 -0.01 0.00 -0.86 0.00 0.00 30.24 28.96 1pnm n GLN 464 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1pnm s ALA 465 N -0.48 -1.92 0.45 2.61 0.00 -1.03 -4.61 121.76 116.78 1pnm s ALA 465 Ca 0.01 0.37 -0.21 0.00 0.00 0.00 0.00 51.96 52.14 1pnm s ALA 465 Cb 0.01 0.52 -0.10 0.00 0.00 0.00 0.00 23.12 23.54 1pnm s ALA 465 CO 0.00 -1.05 0.98 0.00 0.00 0.00 0.00 175.76 175.69 1pnm s ALA 466 N -2.89 2.98 0.38 0.00 0.00 -1.26 -4.79 121.76 116.18 1pnm s ALA 466 Ca 0.13 0.46 0.12 0.00 0.00 0.00 0.00 51.96 52.68 1pnm s ALA 466 Cb 0.01 -3.18 0.93 0.00 0.00 0.00 0.00 23.12 20.88 1pnm s ALA 466 CO -0.00 -0.04 1.87 0.00 0.00 0.00 0.00 175.76 177.58 1pnm h ALA 467 N 1.74 1.98 0.00 0.00 0.00 -2.01 -0.14 119.26 120.83 1pnm h ALA 467 Ca -0.49 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1pnm h ALA 467 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1pnm h ALA 467 CO 0.60 -0.24 0.00 0.93 0.00 0.00 0.00 179.25 180.54 1pnm h GLU 468 N 0.57 0.00 0.00 0.00 5.08 -2.01 -2.78 114.58 115.43 1pnm h GLU 468 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1pnm h GLU 468 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1pnm h GLU 468 CO -0.20 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.20 1pnm n GLU 469 N -3.06 0.10 -1.70 2.33 1.02 -0.07 -4.87 120.64 114.39 1pnm n GLU 469 Ca -0.02 0.12 -0.44 0.00 -0.02 0.00 0.00 57.16 56.80 1pnm n GLU 469 Cb 0.15 -1.62 -0.03 0.00 -0.02 0.00 0.00 31.44 29.91 1pnm n GLU 469 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1pnm n THR 470 N -1.80 0.56 -4.48 2.62 -1.04 -1.05 -4.87 114.28 104.21 1pnm n THR 470 Ca 0.06 -0.14 -0.29 0.00 -2.04 0.00 0.00 64.05 61.64 1pnm n THR 470 Cb 0.35 -1.73 -0.13 0.00 -1.82 0.00 0.00 70.33 67.00 1pnm n THR 470 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1pnm s ARG 471 N 0.19 1.65 -0.07 -2.82 1.81 -0.53 -4.98 118.95 114.19 1pnm s ARG 471 Ca 0.71 -1.22 0.04 0.00 -1.72 0.00 0.00 55.73 53.54 1pnm s ARG 471 Cb -0.59 -2.01 -0.00 0.00 -0.45 0.00 0.00 34.95 31.91 1pnm s ARG 471 CO 0.43 0.48 -0.21 -1.01 -0.68 0.00 0.00 175.30 174.31 1pnm s HIS 472 N -1.03 2.20 -0.07 -0.53 3.76 -1.26 0.36 115.29 118.72 1pnm s HIS 472 Ca 0.15 -0.77 0.04 0.00 -0.15 0.00 0.00 55.06 54.34 1pnm s HIS 472 Cb -0.10 -1.48 -0.01 0.00 1.11 0.00 0.00 32.58 32.10 1pnm s HIS 472 CO 0.06 -0.29 -0.20 -1.14 -0.85 0.00 0.00 174.74 172.33 1pnm s GLN 473 N 0.16 2.70 0.11 1.40 0.74 0.22 -5.00 119.66 119.98 1pnm s GLN 473 Ca -0.10 -0.82 -0.18 0.00 0.05 0.00 0.00 55.36 54.31 1pnm s GLN 473 Cb -0.15 -2.30 -0.06 0.00 1.10 0.00 0.00 33.01 31.60 1pnm s GLN 473 CO 0.05 0.40 1.64 0.00 -0.55 0.00 0.00 175.29 176.83 1pnm h ALA 474 N 6.03 0.37 -2.88 1.58 0.00 -1.91 -1.50 119.26 120.94 1pnm h ALA 474 Ca -0.34 -0.13 -0.63 0.00 0.00 0.00 0.00 54.91 53.81 1pnm h ALA 474 Cb 1.18 -0.11 -0.16 0.00 0.00 0.00 0.00 17.79 18.70 1pnm h ALA 474 CO 0.49 -0.02 -0.43 -2.00 0.00 0.00 0.00 179.25 177.29 1pnm s GLU 475 N -5.48 3.99 0.24 0.00 2.12 -1.26 -4.23 118.70 114.08 1pnm s GLU 475 Ca -0.13 -0.19 -0.30 0.00 0.36 0.00 0.00 54.97 54.70 1pnm s GLU 475 Cb 0.08 -3.64 -0.09 0.00 0.26 0.00 0.00 34.13 30.74 1pnm s GLU 475 CO 0.73 -0.17 1.34 -0.47 -0.54 0.00 0.00 175.26 176.16 1pnm s TYR 476 N 1.73 3.16 -0.10 5.30 5.04 -0.83 -4.52 117.35 127.14 1pnm s TYR 476 Ca 0.10 1.20 -0.00 0.00 -2.44 0.00 0.00 57.07 55.92 1pnm s TYR 476 Cb -0.16 -3.67 0.02 0.00 0.35 0.00 0.00 41.96 38.51 1pnm s TYR 476 CO 0.10 -2.09 -0.07 -0.65 -1.34 0.00 0.00 175.55 171.50 1pnm s GLN 477 N -0.48 1.38 -1.31 4.97 -0.21 -1.26 -4.88 119.66 117.87 1pnm s GLN 477 Ca 0.56 -0.20 -0.17 0.00 0.02 0.00 0.00 55.36 55.57 1pnm s GLN 477 Cb -0.39 -1.48 0.08 0.00 1.00 0.00 0.00 33.01 32.23 1pnm s GLN 477 CO 0.42 -0.26 1.77 -1.71 -2.12 0.00 0.00 175.29 173.39 1pnm n ASN 478 N 4.93 4.84 -3.39 5.90 5.15 -0.20 -4.89 115.26 127.59 1pnm n ASN 478 Ca -0.12 -2.92 -0.14 0.00 -0.60 0.00 0.00 54.58 50.79 1pnm n ASN 478 Cb 0.50 -1.71 -0.05 0.00 -0.53 0.00 0.00 39.78 38.00 1pnm n ASN 478 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pnm s ARG 479 N 3.63 1.82 0.74 1.20 1.70 -1.26 -3.79 118.95 122.99 1pnm s ARG 479 Ca 0.51 -1.71 -0.15 0.00 -0.47 0.00 0.00 55.73 53.91 1pnm s ARG 479 Cb 0.05 0.43 0.04 0.00 -0.57 0.00 0.00 34.95 34.90 1pnm s ARG 479 CO 0.04 -0.74 1.20 0.20 -1.08 0.00 0.00 175.30 174.93 1pnm s GLY 480 N -3.22 2.32 0.34 3.88 0.00 -1.25 -4.77 107.32 104.62 1pnm s GLY 480 Ca 0.31 0.87 0.02 0.00 0.00 0.00 0.00 44.72 45.92 1pnm s GLY 480 CO 0.19 1.28 1.97 -0.84 0.00 0.00 0.00 173.10 175.70 1pnm h THR 481 N -0.35 1.11 -3.96 0.90 2.02 -0.83 -3.41 112.91 108.39 1pnm h THR 481 Ca -0.47 -0.31 -0.21 0.00 0.77 0.00 0.00 66.41 66.18 1pnm h THR 481 Cb 1.29 0.14 -0.18 0.00 -1.74 0.00 0.00 68.15 67.66 1pnm h THR 481 CO 0.49 0.16 -0.71 -1.83 0.37 0.00 0.00 175.52 174.01 1pnm s GLU 482 N -5.77 0.63 -0.04 6.66 4.04 -1.26 -4.68 118.70 118.28 1pnm s GLU 482 Ca -0.10 -1.04 0.02 0.00 0.04 0.00 0.00 54.97 53.89 1pnm s GLU 482 Cb 0.19 -0.12 0.01 0.00 0.02 0.00 0.00 34.13 34.22 1pnm s GLU 482 CO 0.78 -0.02 -0.10 -0.80 -1.84 0.00 0.00 175.26 173.29 1pnm s ASN 483 N -2.35 1.36 0.01 0.83 -0.87 -1.26 -3.74 114.94 108.92 1pnm s ASN 483 Ca 0.00 -0.21 0.02 0.00 -1.57 0.00 0.00 52.86 51.10 1pnm s ASN 483 Cb -0.01 -0.48 -0.01 0.00 -0.02 0.00 0.00 41.25 40.73 1pnm s ASN 483 CO -0.04 0.04 -0.08 1.51 -2.57 0.00 0.00 177.10 175.97 1pnm s ASP 484 N 0.41 0.88 -0.04 -1.22 -4.77 -0.92 -2.71 116.67 108.30 1pnm s ASP 484 Ca -0.07 -0.24 0.02 0.00 -3.30 0.00 0.00 52.55 48.95 1pnm s ASP 484 Cb -0.11 -0.06 0.02 0.00 -1.09 0.00 0.00 42.92 41.67 1pnm s ASP 484 CO 0.01 0.02 -0.07 -0.32 0.70 0.00 0.00 175.17 175.51 1pnm s MET 485 N -0.56 1.02 -0.15 2.11 1.75 0.02 -1.76 119.30 121.73 1pnm s MET 485 Ca -0.00 -0.20 0.02 0.00 -1.25 0.00 0.00 55.69 54.26 1pnm s MET 485 Cb -0.05 -0.95 0.01 0.00 2.84 0.00 0.00 34.83 36.69 1pnm s MET 485 CO 0.00 -0.02 -0.20 0.42 -0.65 0.00 0.00 175.02 174.56 1pnm s ILE 486 N 0.72 1.98 -0.26 10.11 1.09 -0.51 -0.37 121.20 133.96 1pnm s ILE 486 Ca -0.11 -0.92 -0.02 0.00 -1.10 0.00 0.00 60.65 58.50 1pnm s ILE 486 Cb -0.14 -1.77 0.03 0.00 -1.06 0.00 0.00 42.46 39.52 1pnm s ILE 486 CO 0.01 0.53 -0.04 -0.69 -0.10 0.00 0.00 174.94 174.65 1pnm s VAL 487 N 0.99 2.90 -0.16 2.92 1.01 0.18 -1.11 120.40 127.14 1pnm s VAL 487 Ca -0.03 -1.14 -0.11 0.00 0.00 0.00 0.00 61.98 60.70 1pnm s VAL 487 Cb -0.15 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 1pnm s VAL 487 CO -0.05 0.11 0.20 -0.36 0.00 0.00 0.00 175.10 175.00 1pnm s PHE 488 N 1.30 3.48 -1.15 5.22 0.08 -0.55 -0.90 117.98 125.47 1pnm s PHE 488 Ca -0.02 0.50 -0.12 0.00 0.12 0.00 0.00 56.93 57.41 1pnm s PHE 488 Cb -0.18 -2.19 -0.03 0.00 -0.57 0.00 0.00 43.02 40.06 1pnm s PHE 488 CO -0.03 0.37 0.81 0.43 -0.10 0.00 0.00 175.22 176.70 1pnm n SER 489 N 3.16 -4.83 -4.67 1.36 7.64 0.15 -0.68 113.62 115.76 1pnm n SER 489 Ca -0.15 -0.89 -0.38 0.00 1.01 0.00 0.00 58.87 58.46 1pnm n SER 489 Cb 0.52 -4.07 0.04 0.00 -1.01 0.00 0.00 64.21 59.70 1pnm n SER 489 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1pnm n PRO 490 N -3.92 1.25 0.02 1.43 -0.04 -1.26 -3.91 135.00 128.57 1pnm n PRO 490 Ca -0.13 0.47 0.11 0.00 -0.04 0.00 0.00 63.50 63.91 1pnm n PRO 490 Cb 0.62 -2.32 0.06 0.00 -0.04 0.00 0.00 33.50 31.82 1pnm n PRO 490 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1pnm n THR 491 N -1.33 0.13 0.40 0.52 -2.24 -0.87 -4.04 114.28 106.84 1pnm n THR 491 Ca 0.12 -0.17 0.13 0.00 -2.27 0.00 0.00 64.05 61.86 1pnm n THR 491 Cb 0.45 0.29 0.29 0.00 -2.10 0.00 0.00 70.33 69.26 1pnm n THR 491 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1pnm h THR 492 N 0.00 0.00 -4.60 4.28 1.35 -1.90 -3.47 112.91 108.57 1pnm h THR 492 Ca 0.00 -0.75 -0.29 0.00 -0.55 0.00 0.00 66.41 64.82 1pnm h THR 492 Cb 0.66 1.74 -0.15 0.00 -1.73 0.00 0.00 68.15 68.68 1pnm h THR 492 CO 0.00 0.00 -0.60 -0.55 -0.25 0.00 0.00 175.52 174.12 1pnm s SER 493 N -5.45 0.49 0.05 5.36 0.15 -1.26 -5.04 113.70 108.00 1pnm s SER 493 Ca 0.08 -1.46 0.23 0.00 0.70 0.00 0.00 55.95 55.50 1pnm s SER 493 Cb 0.08 0.40 -0.01 0.00 -1.71 0.00 0.00 66.02 64.79 1pnm s SER 493 CO 0.63 -0.88 0.97 -0.90 1.20 0.00 0.00 173.24 174.26 1pnm n ASP 494 N -0.52 0.59 -4.72 5.45 5.68 -1.26 -4.82 116.55 116.95 1pnm n ASP 494 Ca 0.03 -0.19 -0.40 0.00 -0.50 0.00 0.00 54.79 53.73 1pnm n ASP 494 Cb 0.65 0.90 -0.04 0.00 -1.14 0.00 0.00 41.12 41.49 1pnm n ASP 494 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1pnm s ARG 495 N -3.23 4.47 0.47 0.11 0.52 -1.26 -4.99 118.95 115.04 1pnm s ARG 495 Ca 0.02 1.02 0.27 0.00 -0.52 0.00 0.00 55.73 56.52 1pnm s ARG 495 Cb 0.14 -3.43 0.93 0.00 0.52 0.00 0.00 34.95 33.11 1pnm s ARG 495 CO 0.81 0.10 1.82 -1.00 0.02 0.00 0.00 175.30 177.05 1pnm h PRO 496 N 6.51 0.00 -3.66 3.54 0.13 -1.92 -3.37 132.00 133.24 1pnm h PRO 496 Ca -0.42 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.50 1pnm h PRO 496 Cb 1.20 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.07 1pnm h PRO 496 CO 0.74 0.12 -0.66 0.08 -0.23 0.00 0.00 178.00 178.05 1pnm s VAL 497 N -3.53 0.02 -0.03 1.56 1.01 -1.26 0.34 120.40 118.51 1pnm s VAL 497 Ca 0.02 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1pnm s VAL 497 Cb 0.09 -0.12 0.01 0.00 0.00 0.00 0.00 36.38 36.36 1pnm s VAL 497 CO 0.61 -0.08 -0.06 -0.76 0.00 0.00 0.00 175.10 174.81 1pnm s LEU 498 N -0.23 1.68 -0.03 3.92 1.43 -0.08 -5.01 118.68 120.37 1pnm s LEU 498 Ca -0.03 -0.14 -0.06 0.00 -1.03 0.00 0.00 54.13 52.88 1pnm s LEU 498 Cb -0.02 -0.43 0.01 0.00 0.03 0.00 0.00 46.19 45.77 1pnm s LEU 498 CO 0.00 0.02 0.13 0.00 0.23 0.00 0.00 176.35 176.74 1pnm s ALA 499 N 0.36 -0.32 0.05 4.21 0.00 -1.26 0.47 121.76 125.27 1pnm s ALA 499 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1pnm s ALA 499 Cb -0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 1pnm s ALA 499 CO 0.00 -0.14 -0.05 -1.58 0.00 0.00 0.00 175.76 174.00 1pnm s TRP 500 N -0.67 0.57 0.29 0.00 0.51 0.50 -1.38 118.94 118.76 1pnm s TRP 500 Ca -0.08 -0.79 -0.08 0.00 -2.12 0.00 0.00 56.10 53.03 1pnm s TRP 500 Cb -0.04 -0.37 0.03 0.00 -0.81 0.00 0.00 33.47 32.27 1pnm s TRP 500 CO 0.01 -0.22 0.52 -0.40 -0.51 0.00 0.00 176.95 176.35 1pnm n ASP 501 N 0.69 -1.50 -3.65 2.95 5.75 -0.60 -0.80 116.55 119.39 1pnm n ASP 501 Ca -0.18 -2.27 -0.04 0.00 -0.01 0.00 0.00 54.79 52.29 1pnm n ASP 501 Cb 0.58 2.57 -0.06 0.00 -1.03 0.00 0.00 41.12 43.18 1pnm n ASP 501 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1pnm s VAL 502 N -2.45 -0.75 -0.42 2.12 0.11 -1.10 -1.48 120.40 116.43 1pnm s VAL 502 Ca 0.15 0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.28 1pnm s VAL 502 Cb -0.03 -0.89 0.12 0.00 -1.53 0.00 0.00 36.38 34.05 1pnm s VAL 502 CO 0.11 0.02 0.18 -0.69 -3.33 0.00 0.00 175.10 171.39 1pnm s VAL 503 N 2.62 1.82 0.05 2.04 1.01 -1.26 -4.06 120.40 122.62 1pnm s VAL 503 Ca -0.05 -2.52 0.00 0.00 0.00 0.00 0.00 61.98 59.41 1pnm s VAL 503 Cb -0.11 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1pnm s VAL 503 CO -0.17 -0.77 0.17 0.00 0.00 0.00 0.00 175.10 174.33 1pnm s ALA 504 N 0.51 3.88 0.22 5.51 0.00 -1.26 -2.69 121.76 127.93 1pnm s ALA 504 Ca 0.15 -0.87 -0.07 0.00 0.00 0.00 0.00 51.96 51.17 1pnm s ALA 504 Cb -0.23 -1.74 0.18 0.00 0.00 0.00 0.00 23.12 21.34 1pnm s ALA 504 CO -0.06 0.80 1.76 -1.35 0.00 0.00 0.00 175.76 176.91 1pnm h PRO 505 N 3.27 1.12 0.00 0.00 0.11 -1.84 -3.35 132.00 131.30 1pnm h PRO 505 Ca -0.46 -0.24 0.13 0.00 0.11 0.00 0.00 66.00 65.54 1pnm h PRO 505 Cb 1.16 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1pnm h PRO 505 CO 0.72 0.96 0.51 0.41 -0.21 0.00 0.00 178.00 180.39 1pnm n GLY 506 N -0.78 0.70 0.27 -0.55 0.00 -1.10 -1.08 105.19 102.65 1pnm n GLY 506 Ca 0.06 -1.14 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 1pnm n GLY 506 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1pnm h GLN 507 N 0.00 0.94 -6.09 1.61 5.75 -1.59 -3.39 115.11 112.33 1pnm h GLN 507 Ca -0.25 -0.26 -0.67 0.00 -0.15 0.00 0.00 58.65 57.32 1pnm h GLN 507 Cb 1.09 -0.10 -0.13 0.00 1.07 0.00 0.00 27.48 29.41 1pnm h GLN 507 CO 0.34 0.91 -0.62 0.45 -2.65 0.00 0.00 178.83 177.25 1pnm s SER 508 N -6.35 5.27 -0.01 -0.69 0.15 -0.90 -4.90 113.70 106.26 1pnm s SER 508 Ca -0.12 0.05 0.11 0.00 0.70 0.00 0.00 55.95 56.68 1pnm s SER 508 Cb 0.12 -1.42 0.31 0.00 -1.71 0.00 0.00 66.02 63.32 1pnm s SER 508 CO 0.82 0.29 1.26 0.61 1.20 0.00 0.00 173.24 177.42 1pnm n GLY 509 N 1.45 2.88 3.72 9.45 0.00 -1.26 -3.82 105.19 117.61 1pnm n GLY 509 Ca -0.15 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1pnm n GLY 509 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1pnm s PHE 510 N -1.14 3.38 -0.18 1.61 5.36 -1.26 -4.99 117.98 120.75 1pnm s PHE 510 Ca 0.24 1.22 -0.00 0.00 -0.96 0.00 0.00 56.93 57.42 1pnm s PHE 510 Cb 0.13 -3.50 0.05 0.00 -0.34 0.00 0.00 43.02 39.35 1pnm s PHE 510 CO 0.14 -1.60 -0.06 0.42 -1.46 0.00 0.00 175.22 172.67 1pnm s ILE 511 N 0.86 1.24 1.02 3.12 1.01 -1.26 -0.78 121.20 126.41 1pnm s ILE 511 Ca 0.59 -0.79 -0.12 0.00 0.00 0.00 0.00 60.65 60.33 1pnm s ILE 511 Cb -0.32 -1.44 0.20 0.00 0.01 0.00 0.00 42.46 40.91 1pnm s ILE 511 CO 0.31 0.08 1.08 0.00 0.00 0.00 0.00 174.94 176.41 1pnm s ALA 512 N 1.56 0.66 0.49 9.38 0.00 0.16 -4.86 121.76 129.16 1pnm s ALA 512 Ca -0.01 0.12 0.17 0.00 0.00 0.00 0.00 51.96 52.24 1pnm s ALA 512 Cb -0.16 -3.30 1.21 0.00 0.00 0.00 0.00 23.12 20.87 1pnm s ALA 512 CO -0.08 -3.12 2.06 -1.35 0.00 0.00 0.00 175.76 173.27 1pnm h PRO 513 N -2.11 0.15 0.00 0.00 0.11 -2.01 -1.84 132.00 126.29 1pnm h PRO 513 Ca -0.53 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1pnm h PRO 513 Cb 1.30 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1pnm h PRO 513 CO 0.49 0.10 0.00 -0.40 -0.21 0.00 0.00 178.00 177.97 1pnm n ASP 514 N -4.47 0.00 0.00 -2.05 5.75 -1.26 -4.89 116.55 109.63 1pnm n ASP 514 Ca 0.04 0.33 0.00 0.00 -0.01 0.00 0.00 54.79 55.15 1pnm n ASP 514 Cb 0.29 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 1pnm n ASP 514 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pnm n GLY 515 N 1.29 1.06 3.55 6.12 0.00 -0.69 -5.06 105.19 111.46 1pnm n GLY 515 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1pnm n GLY 515 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pnm s THR 516 N -2.00 4.83 0.22 2.61 2.01 -1.25 -4.81 115.64 117.26 1pnm s THR 516 Ca 0.00 0.45 -0.30 0.00 0.31 0.00 0.00 61.69 62.16 1pnm s THR 516 Cb 0.00 -4.15 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 1pnm s THR 516 CO 0.00 -0.45 1.11 -0.69 -0.69 0.00 0.00 174.62 173.91 1pnm s VAL 517 N 2.83 3.66 0.80 3.82 1.01 -1.26 0.39 120.40 131.65 1pnm s VAL 517 Ca 0.25 1.52 -0.14 0.00 0.00 0.00 0.00 61.98 63.62 1pnm s VAL 517 Cb -0.14 -3.97 0.06 0.00 0.00 0.00 0.00 36.38 32.33 1pnm s VAL 517 CO 0.17 0.30 1.10 -0.67 0.00 0.00 0.00 175.10 176.00 1pnm n ASP 518 N 1.88 0.70 0.22 3.32 2.03 0.04 -4.91 116.55 119.83 1pnm n ASP 518 Ca 0.01 0.59 0.06 0.00 0.52 0.00 0.00 54.79 55.97 1pnm n ASP 518 Cb 0.45 -1.47 0.51 0.00 -0.72 0.00 0.00 41.12 39.90 1pnm n ASP 518 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1pnm h LYS 519 N -0.82 0.00 -0.57 -0.67 3.64 -1.96 -2.76 116.57 113.43 1pnm h LYS 519 Ca -0.46 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.72 1pnm h LYS 519 Cb 1.31 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 33.01 1pnm h LYS 519 CO 0.45 0.20 0.17 0.72 -2.27 0.00 0.00 179.45 178.72 1pnm n HIS 520 N -4.23 1.87 0.08 1.91 8.25 -1.26 -4.60 115.22 117.24 1pnm n HIS 520 Ca -0.02 -1.31 -0.09 0.00 -0.26 0.00 0.00 57.72 56.03 1pnm n HIS 520 Cb 0.26 -0.59 0.00 0.00 1.12 0.00 0.00 29.99 30.78 1pnm n HIS 520 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1pnm h TYR 521 N 1.87 0.40 -0.10 4.41 3.20 -1.59 -2.27 116.97 122.89 1pnm h TYR 521 Ca 0.24 -0.21 -0.18 0.00 3.14 0.00 0.00 58.73 61.73 1pnm h TYR 521 Cb 2.05 -0.05 -0.23 0.00 1.54 0.00 0.00 36.73 40.04 1pnm h TYR 521 CO 1.09 1.00 -0.54 -0.85 -1.64 0.00 0.00 178.16 177.22 1pnm n GLU 522 N -3.72 1.04 -0.05 1.82 0.28 -1.26 -3.27 120.64 115.49 1pnm n GLU 522 Ca -0.04 -1.77 0.11 0.00 -0.16 0.00 0.00 57.16 55.30 1pnm n GLU 522 Cb 0.78 -0.06 0.46 0.00 1.43 0.00 0.00 31.44 34.05 1pnm n GLU 522 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1pnm n ASP 523 N -0.83 1.30 -0.20 -1.84 5.75 -1.21 -3.57 116.55 115.94 1pnm n ASP 523 Ca -0.12 -1.59 0.02 0.00 -0.01 0.00 0.00 54.79 53.10 1pnm n ASP 523 Cb 0.85 -0.06 0.02 0.00 -1.03 0.00 0.00 41.12 40.90 1pnm n ASP 523 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pnm n GLN 524 N 0.06 -0.22 -0.15 0.11 6.02 -0.24 -4.78 117.38 118.18 1pnm n GLN 524 Ca 0.17 -0.82 -0.10 0.00 -0.01 0.00 0.00 57.00 56.24 1pnm n GLN 524 Cb 0.28 -1.10 -0.00 0.00 1.02 0.00 0.00 30.24 30.44 1pnm n GLN 524 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1pnm h LEU 525 N 0.97 0.71 -0.35 1.08 5.85 -1.49 -2.52 115.31 119.55 1pnm h LEU 525 Ca 0.00 -0.27 -0.19 0.00 0.84 0.00 0.00 57.88 58.26 1pnm h LEU 525 Cb 0.22 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 1pnm h LEU 525 CO 0.00 0.79 -0.77 0.11 -0.34 0.00 0.00 178.44 178.24 1pnm h LYS 526 N 0.59 0.44 -0.61 1.25 1.79 -1.86 -2.93 116.57 115.23 1pnm h LYS 526 Ca 0.13 -0.37 0.04 0.00 -2.18 0.00 0.00 60.65 58.27 1pnm h LYS 526 Cb 0.39 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.08 1pnm h LYS 526 CO 0.01 1.01 0.36 1.98 -1.08 0.00 0.00 179.45 181.73 1pnm h MET 527 N 0.29 0.66 0.19 3.15 1.85 -1.85 -2.42 114.93 116.80 1pnm h MET 527 Ca -0.04 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.01 1pnm h MET 527 Cb 1.36 -0.15 -0.03 0.00 0.43 0.00 0.00 31.60 33.21 1pnm h MET 527 CO 0.13 0.44 -0.38 -0.92 -0.40 0.00 0.00 176.91 175.78 1pnm h TYR 528 N 0.68 -1.09 -0.71 1.39 3.20 -1.33 0.13 116.97 119.24 1pnm h TYR 528 Ca 0.26 0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.31 1pnm h TYR 528 Cb 0.09 0.45 -0.11 0.00 1.54 0.00 0.00 36.73 38.70 1pnm h TYR 528 CO -0.07 -0.46 0.09 1.49 -1.64 0.00 0.00 178.16 177.57 1pnm h GLU 529 N -0.62 0.18 -0.85 1.82 4.81 -1.34 -2.26 114.58 116.32 1pnm h GLU 529 Ca -0.02 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.00 1pnm h GLU 529 Cb 0.58 -0.04 -0.12 0.00 0.63 0.00 0.00 28.75 29.80 1pnm h GLU 529 CO -0.15 0.12 0.26 0.27 -0.73 0.00 0.00 179.01 178.77 1pnm n ASN 530 N -5.24 4.02 -1.72 1.04 0.23 -0.93 -4.92 115.26 107.74 1pnm n ASN 530 Ca 0.13 -2.95 -0.16 0.00 -0.53 0.00 0.00 54.58 51.06 1pnm n ASN 530 Cb 0.44 -0.70 -0.02 0.00 -2.08 0.00 0.00 39.78 37.42 1pnm n ASN 530 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1pnm n PHE 531 N -0.16 -0.59 -2.02 -2.53 3.72 -0.85 -5.00 117.46 110.03 1pnm n PHE 531 Ca 0.33 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.44 1pnm n PHE 531 Cb 1.18 -3.22 0.18 0.00 -0.94 0.00 0.00 39.48 36.68 1pnm n PHE 531 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1pnm s GLY 532 N -2.40 1.79 -0.12 1.37 0.00 0.02 -5.04 107.32 102.94 1pnm s GLY 532 Ca 0.00 -1.30 -0.30 0.00 0.00 0.00 0.00 44.72 43.12 1pnm s GLY 532 CO 0.00 -0.54 0.90 1.09 0.00 0.00 0.00 173.10 174.55 1pnm s ARG 533 N -5.81 0.74 0.01 2.90 1.70 -1.26 -4.68 118.95 112.54 1pnm s ARG 533 Ca 0.74 0.17 0.03 0.00 -0.47 0.00 0.00 55.73 56.20 1pnm s ARG 533 Cb -0.04 0.35 -0.03 0.00 -0.57 0.00 0.00 34.95 34.66 1pnm s ARG 533 CO 0.52 -0.23 -0.07 -1.59 -1.08 0.00 0.00 175.30 172.85 1pnm s LYS 534 N -1.16 2.55 0.30 3.89 -2.85 -0.55 -4.94 119.74 116.98 1pnm s LYS 534 Ca -0.05 -0.72 -0.29 0.00 -1.00 0.00 0.00 55.97 53.91 1pnm s LYS 534 Cb -0.00 -2.50 -0.10 0.00 -2.06 0.00 0.00 37.83 33.16 1pnm s LYS 534 CO 0.04 0.60 1.22 -1.12 0.10 0.00 0.00 175.35 176.19 1pnm s SER 535 N -1.43 6.98 -0.18 0.03 0.01 -1.26 -1.55 113.70 116.29 1pnm s SER 535 Ca 0.17 2.50 -0.07 0.00 1.31 0.00 0.00 55.95 59.86 1pnm s SER 535 Cb -0.11 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 1pnm s SER 535 CO 0.08 -0.37 0.06 -0.76 0.41 0.00 0.00 173.24 172.66 1pnm s LEU 536 N -1.58 3.83 -0.07 2.44 1.43 -0.48 -4.88 118.68 119.37 1pnm s LEU 536 Ca 0.47 0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.63 1pnm s LEU 536 Cb -0.36 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 1pnm s LEU 536 CO 0.47 0.18 0.07 0.26 0.23 0.00 0.00 176.35 177.56 1pnm s TRP 537 N 0.34 3.33 0.05 0.29 0.52 -1.26 -4.46 118.94 117.75 1pnm s TRP 537 Ca 0.03 0.30 -0.02 0.00 0.02 0.00 0.00 56.10 56.42 1pnm s TRP 537 Cb -0.12 -1.82 -0.01 0.00 -1.15 0.00 0.00 33.47 30.37 1pnm s TRP 537 CO 0.00 0.57 -0.04 -0.11 0.02 0.00 0.00 176.95 177.39 1pnm n LEU 538 N 1.78 1.03 -4.74 2.99 7.94 -1.26 -4.75 117.00 119.98 1pnm n LEU 538 Ca -0.17 0.14 -0.34 0.00 -1.11 0.00 0.00 56.01 54.53 1pnm n LEU 538 Cb 0.54 -0.34 0.07 0.00 0.53 0.00 0.00 43.42 44.21 1pnm n LEU 538 CO 0.32 -0.65 0.78 0.42 -1.11 0.00 0.00 177.39 177.15 1pnm s THR 539 N -1.94 2.72 0.18 1.96 -4.23 -1.26 -4.87 115.64 108.20 1pnm s THR 539 Ca -0.04 0.36 -0.13 0.00 -1.18 0.00 0.00 61.69 60.70 1pnm s THR 539 Cb 0.01 -2.93 0.07 0.00 1.34 0.00 0.00 72.50 70.99 1pnm s THR 539 CO 0.06 -0.18 1.82 0.11 -0.54 0.00 0.00 174.62 175.89 1pnm h LYS 540 N 0.02 0.63 -0.80 3.99 1.57 -1.98 -1.26 116.57 118.75 1pnm h LYS 540 Ca -0.48 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.25 1pnm h LYS 540 Cb 1.28 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.41 1pnm h LYS 540 CO 0.52 0.42 0.44 0.37 -0.57 0.00 0.00 179.45 180.63 1pnm h GLN 541 N 0.65 1.11 -0.27 3.15 4.15 -1.98 0.48 115.11 122.40 1pnm h GLN 541 Ca 0.21 -0.13 -0.05 0.00 0.77 0.00 0.00 58.65 59.46 1pnm h GLN 541 Cb 0.00 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.46 1pnm h GLN 541 CO -0.09 0.82 -0.02 -0.44 -1.93 0.00 0.00 178.83 177.17 1pnm h ASP 542 N 1.11 0.49 -0.21 -0.69 3.32 -1.81 0.33 116.42 118.95 1pnm h ASP 542 Ca 0.28 -0.33 0.01 0.00 0.02 0.00 0.00 57.03 57.01 1pnm h ASP 542 Cb 0.03 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1pnm h ASP 542 CO -0.05 0.70 0.12 0.58 -1.72 0.00 0.00 179.24 178.88 1pnm h VAL 543 N 0.27 1.02 -0.31 -1.35 2.07 -0.95 -1.45 116.25 115.54 1pnm h VAL 543 Ca 0.07 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1pnm h VAL 543 Cb 0.46 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1pnm h VAL 543 CO 0.02 0.05 0.18 -0.33 0.02 0.00 0.00 177.57 177.51 1pnm h GLU 544 N 0.25 0.43 -0.72 1.57 4.39 0.07 -1.01 114.58 119.57 1pnm h GLU 544 Ca 0.08 -0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.83 1pnm h GLU 544 Cb -0.00 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.51 1pnm h GLU 544 CO -0.04 0.34 0.48 0.00 -1.16 0.00 0.00 179.01 178.62 1pnm h ALA 545 N 1.07 1.82 -0.39 3.43 0.00 -0.74 -2.90 119.26 121.55 1pnm h ALA 545 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1pnm h ALA 545 Cb 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1pnm h ALA 545 CO -0.02 0.04 0.00 0.72 0.00 0.00 0.00 179.25 179.99 1pnm n HIS 546 N -4.49 0.51 -1.75 0.00 8.25 -0.56 -5.05 115.22 112.13 1pnm n HIS 546 Ca 0.12 -0.41 -0.40 0.00 -0.26 0.00 0.00 57.72 56.76 1pnm n HIS 546 Cb 0.32 -0.02 0.01 0.00 1.12 0.00 0.00 29.99 31.42 1pnm n HIS 546 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1pnm n LYS 547 N 0.86 2.22 -0.00 -0.41 4.81 -0.41 -4.92 118.16 120.31 1pnm n LYS 547 Ca 0.14 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.37 1pnm n LYS 547 Cb 0.47 -2.56 -0.00 0.00 0.02 0.00 0.00 35.03 32.95 1pnm n LYS 547 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1pnm n GLU 548 N -0.02 3.74 -3.56 1.64 0.28 -1.26 -5.07 120.64 116.39 1pnm n GLU 548 Ca 0.05 -0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.98 1pnm n GLU 548 Cb 0.40 -0.75 -0.02 0.00 1.43 0.00 0.00 31.44 32.50 1pnm n GLU 548 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1pnm s SER 549 N -1.51 -0.24 -0.00 -1.84 1.04 -1.26 -5.18 113.70 104.70 1pnm s SER 549 Ca 0.00 0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.47 1pnm s SER 549 Cb 0.00 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1pnm s SER 549 CO 0.02 -0.38 -0.02 -1.58 0.98 0.00 0.00 173.24 172.26 1pnm s GLN 550 N -2.54 0.18 -0.05 4.02 0.74 -1.26 -5.15 119.66 115.61 1pnm s GLN 550 Ca 0.07 -0.05 -0.02 0.00 0.05 0.00 0.00 55.36 55.41 1pnm s GLN 550 Cb -0.01 -0.20 0.03 0.00 1.10 0.00 0.00 33.01 33.93 1pnm s GLN 550 CO -0.06 0.02 0.08 -2.00 -0.55 0.00 0.00 175.29 172.78 1pnm s GLU 551 N 0.09 -0.03 -0.12 1.67 2.12 -1.26 -5.15 118.70 116.02 1pnm s GLU 551 Ca -0.01 0.37 0.02 0.00 0.36 0.00 0.00 54.97 55.71 1pnm s GLU 551 Cb -0.02 -0.37 -0.01 0.00 0.26 0.00 0.00 34.13 33.99 1pnm s GLU 551 CO -0.00 -0.27 -0.18 0.08 -0.54 0.00 0.00 175.26 174.35 1pnm s VAL 552 N 1.82 2.57 0.07 3.70 1.01 -1.26 -5.13 120.40 123.19 1pnm s VAL 552 Ca -0.00 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.24 1pnm s VAL 552 Cb -0.12 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1pnm s VAL 552 CO -0.04 0.54 -0.23 -0.76 0.00 0.00 0.00 175.10 174.61 1pnm s LEU 553 N 0.42 2.39 -0.28 3.92 1.43 -1.26 -5.10 118.68 120.20 1pnm s LEU 553 Ca -0.13 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 1pnm s LEU 553 Cb -0.17 -1.37 0.08 0.00 0.03 0.00 0.00 46.19 44.77 1pnm s LEU 553 CO 0.06 0.23 0.03 -1.00 0.23 0.00 0.00 176.35 175.90 1pnm s HIS 554 N -0.94 2.24 0.01 0.29 3.76 -1.26 -5.11 115.29 114.29 1pnm s HIS 554 Ca 0.14 -1.88 0.03 0.00 -0.15 0.00 0.00 55.06 53.20 1pnm s HIS 554 Cb -0.10 -1.82 -0.01 0.00 1.11 0.00 0.00 32.58 31.76 1pnm s HIS 554 CO 0.05 -0.83 -0.09 0.08 -0.85 0.00 0.00 174.74 173.10 1pnm s VAL 555 N 1.44 0.67 0.00 -0.90 1.01 -1.26 -5.15 120.40 116.21 1pnm s VAL 555 Ca 0.03 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1pnm s VAL 555 Cb -0.18 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 1pnm s VAL 555 CO -0.14 0.04 -0.10 -1.10 0.00 0.00 0.00 175.10 173.81 1pnm s GLN 556 N -0.60 0.75 0.00 2.72 -1.52 -1.26 -5.35 119.66 114.39 1pnm s GLN 556 Ca 0.00 -0.40 0.10 0.00 -1.95 0.00 0.00 55.36 53.11 1pnm s GLN 556 Cb -0.05 -0.71 0.59 0.00 -0.22 0.00 0.00 33.01 32.62 1pnm s GLN 556 CO 0.00 0.19 1.04 -2.13 -0.25 0.00 0.00 175.29 174.14