#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ra5 n LEU 5 N 0.00 3.28 -0.01 0.00 4.77 -1.26 -4.80 117.00 118.98 1ra5 n LEU 5 Ca 0.00 1.13 0.02 0.00 -0.03 0.00 0.00 56.01 57.13 1ra5 n LEU 5 Cb 0.00 -1.45 -0.06 0.00 -2.33 0.00 0.00 43.42 39.58 1ra5 n LEU 5 CO 0.00 -0.37 -0.62 0.00 -1.33 0.00 0.00 177.39 175.08 1ra5 n GLN 6 N 2.26 0.81 -3.64 3.23 6.02 0.13 -4.81 117.38 121.39 1ra5 n GLN 6 Ca 0.12 -0.05 -0.15 0.00 -0.01 0.00 0.00 57.00 56.90 1ra5 n GLN 6 Cb 0.32 -1.17 -0.07 0.00 1.02 0.00 0.00 30.24 30.33 1ra5 n GLN 6 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1ra5 s THR 7 N -2.43 0.03 -0.19 5.09 2.01 -1.06 -0.60 115.64 118.49 1ra5 s THR 7 Ca -0.03 -0.25 -0.03 0.00 0.31 0.00 0.00 61.69 61.70 1ra5 s THR 7 Cb 0.04 -0.82 -0.01 0.00 0.01 0.00 0.00 72.50 71.72 1ra5 s THR 7 CO 0.30 -0.14 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.39 1ra5 s ILE 8 N -1.36 3.30 0.31 1.82 1.09 0.10 -0.66 121.20 125.79 1ra5 s ILE 8 Ca -0.12 -0.54 0.10 0.00 -1.10 0.00 0.00 60.65 58.99 1ra5 s ILE 8 Cb -0.02 -2.46 -0.05 0.00 -1.06 0.00 0.00 42.46 38.86 1ra5 s ILE 8 CO 0.06 0.46 -0.05 0.27 -0.10 0.00 0.00 174.94 175.59 1ra5 s ILE 9 N 1.05 2.81 -1.38 2.92 -4.36 -0.43 -0.47 121.20 121.33 1ra5 s ILE 9 Ca 0.00 -2.07 -0.05 0.00 -0.26 0.00 0.00 60.65 58.28 1ra5 s ILE 9 Cb -0.15 -2.69 0.03 0.00 1.25 0.00 0.00 42.46 40.90 1ra5 s ILE 9 CO -0.01 -0.30 0.82 0.59 0.24 0.00 0.00 174.94 176.28 1ra5 n ASN 10 N -0.85 -2.55 -4.84 4.36 3.02 -1.19 -1.01 115.26 112.19 1ra5 n ASN 10 Ca -0.05 -0.79 -0.37 0.00 -0.03 0.00 0.00 54.58 53.34 1ra5 n ASN 10 Cb 0.61 -4.07 -0.06 0.00 -0.61 0.00 0.00 39.78 35.65 1ra5 n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ra5 s ALA 11 N -3.53 3.77 0.07 5.41 0.00 -0.52 -0.43 121.76 126.53 1ra5 s ALA 11 Ca 0.24 -0.49 -0.02 0.00 0.00 0.00 0.00 51.96 51.69 1ra5 s ALA 11 Cb -0.12 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 1ra5 s ALA 11 CO 0.81 0.48 0.25 1.03 0.00 0.00 0.00 175.76 178.33 1ra5 s ARG 12 N -0.76 3.49 -0.02 0.00 0.52 -0.21 -0.04 118.95 121.93 1ra5 s ARG 12 Ca 0.17 -0.31 0.05 0.00 -0.52 0.00 0.00 55.73 55.12 1ra5 s ARG 12 Cb -0.14 -3.01 -0.01 0.00 0.52 0.00 0.00 34.95 32.32 1ra5 s ARG 12 CO 0.07 0.59 -0.16 -0.51 0.02 0.00 0.00 175.30 175.31 1ra5 s LEU 13 N -2.41 2.00 0.34 2.53 1.43 -1.26 -0.79 118.68 120.52 1ra5 s LEU 13 Ca 0.35 -0.29 -0.28 0.00 -1.03 0.00 0.00 54.13 52.87 1ra5 s LEU 13 Cb -0.13 -0.83 -0.12 0.00 0.03 0.00 0.00 46.19 45.15 1ra5 s LEU 13 CO 0.25 0.18 1.33 -2.65 0.23 0.00 0.00 176.35 175.69 1ra5 n PRO 14 N 2.79 2.20 -0.82 1.29 -0.02 -1.26 -1.68 135.00 137.50 1ra5 n PRO 14 Ca -0.15 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1ra5 n PRO 14 Cb 0.54 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1ra5 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ra5 n GLY 15 N 0.86 0.47 3.53 -1.23 0.00 -1.26 -4.98 105.19 102.58 1ra5 n GLY 15 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1ra5 n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ra5 s GLU 16 N -0.58 1.94 0.31 1.61 0.41 -0.68 -5.13 118.70 116.59 1ra5 s GLU 16 Ca 0.00 -1.16 -0.05 0.00 -0.41 0.00 0.00 54.97 53.34 1ra5 s GLU 16 Cb 0.00 -2.17 -0.05 0.00 -1.78 0.00 0.00 34.13 30.12 1ra5 s GLU 16 CO 0.00 0.48 0.58 -1.21 -0.49 0.00 0.00 175.26 174.62 1ra5 s GLU 17 N -2.34 3.63 2.35 1.61 0.41 -1.26 -4.63 118.70 118.47 1ra5 s GLU 17 Ca 0.21 0.03 0.00 0.00 -0.41 0.00 0.00 54.97 54.80 1ra5 s GLU 17 Cb -0.10 -2.61 0.00 0.00 -1.78 0.00 0.00 34.13 29.64 1ra5 s GLU 17 CO 0.12 0.17 0.00 0.41 -0.49 0.00 0.00 175.26 175.47 1ra5 n GLY 18 N -1.08 -0.39 3.68 -1.39 0.00 -1.26 -4.91 105.19 99.83 1ra5 n GLY 18 Ca -0.01 -1.07 -0.26 0.00 0.00 0.00 0.00 46.02 44.68 1ra5 n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ra5 s LEU 19 N 0.00 3.35 0.04 0.99 1.43 -1.26 -4.57 118.68 118.67 1ra5 s LEU 19 Ca 0.00 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1ra5 s LEU 19 Cb 0.00 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 1ra5 s LEU 19 CO 0.00 0.08 -0.05 0.26 0.23 0.00 0.00 176.35 176.87 1ra5 s TRP 20 N -1.77 0.52 -0.11 0.29 0.52 0.94 -0.67 118.94 118.66 1ra5 s TRP 20 Ca 0.28 -0.63 0.00 0.00 0.02 0.00 0.00 56.10 55.77 1ra5 s TRP 20 Cb -0.09 -0.33 -0.02 0.00 -1.15 0.00 0.00 33.47 31.88 1ra5 s TRP 20 CO 0.19 -0.17 -0.12 -1.14 0.02 0.00 0.00 176.95 175.73 1ra5 s GLN 21 N -2.09 3.18 -0.29 4.98 0.74 0.80 -1.43 119.66 125.56 1ra5 s GLN 21 Ca -0.08 -0.66 -0.02 0.00 0.05 0.00 0.00 55.36 54.65 1ra5 s GLN 21 Cb -0.06 -2.60 0.04 0.00 1.10 0.00 0.00 33.01 31.50 1ra5 s GLN 21 CO -0.02 0.33 -0.02 0.42 -0.55 0.00 0.00 175.29 175.45 1ra5 s ILE 22 N 0.05 2.93 0.02 -2.34 1.09 0.38 -1.01 121.20 122.31 1ra5 s ILE 22 Ca -0.04 -1.31 -0.25 0.00 -1.10 0.00 0.00 60.65 57.95 1ra5 s ILE 22 Cb -0.14 -2.64 -0.05 0.00 -1.06 0.00 0.00 42.46 38.56 1ra5 s ILE 22 CO 0.04 -0.03 0.76 -1.00 -0.10 0.00 0.00 174.94 174.60 1ra5 s HIS 23 N 1.26 3.70 -0.06 3.97 3.76 0.54 -0.72 115.29 127.74 1ra5 s HIS 23 Ca -0.04 1.43 0.03 0.00 -0.15 0.00 0.00 55.06 56.33 1ra5 s HIS 23 Cb -0.19 -2.82 -0.02 0.00 1.11 0.00 0.00 32.58 30.65 1ra5 s HIS 23 CO -0.02 0.23 -0.15 -0.51 -0.85 0.00 0.00 174.74 173.44 1ra5 s LEU 24 N 0.15 2.67 -0.15 0.89 1.43 0.23 -0.34 118.68 123.56 1ra5 s LEU 24 Ca 0.39 -0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 53.17 1ra5 s LEU 24 Cb -0.20 -1.54 0.06 0.00 0.03 0.00 0.00 46.19 44.54 1ra5 s LEU 24 CO 0.22 0.31 0.34 -1.58 0.23 0.00 0.00 176.35 175.88 1ra5 s GLN 25 N -0.54 0.29 -1.42 1.70 2.00 0.06 -4.68 119.66 117.08 1ra5 s GLN 25 Ca 0.07 0.75 -0.05 0.00 -2.00 0.00 0.00 55.36 54.13 1ra5 s GLN 25 Cb -0.11 -0.00 0.03 0.00 0.80 0.00 0.00 33.01 33.73 1ra5 s GLN 25 CO 0.01 -0.19 0.68 -0.25 -0.50 0.00 0.00 175.29 175.04 1ra5 n ASP 26 N 4.57 -1.88 0.00 6.67 8.00 -1.26 -1.40 116.55 131.25 1ra5 n ASP 26 Ca -0.19 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.42 1ra5 n ASP 26 Cb 0.53 -3.60 0.00 0.00 -0.02 0.00 0.00 41.12 38.03 1ra5 n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ra5 n GLY 27 N -1.71 0.41 3.50 0.44 0.00 -1.26 -4.99 105.19 101.58 1ra5 n GLY 27 Ca -0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 1ra5 n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ra5 s LYS 28 N -0.64 1.74 -0.35 1.61 1.02 -0.49 -0.58 119.74 122.05 1ra5 s LYS 28 Ca 0.00 -1.97 -0.21 0.00 0.02 0.00 0.00 55.97 53.82 1ra5 s LYS 28 Cb 0.00 -1.14 0.00 0.00 -0.52 0.00 0.00 37.83 36.17 1ra5 s LYS 28 CO 0.00 -0.12 0.65 0.42 -0.92 0.00 0.00 175.35 175.38 1ra5 s ILE 29 N -3.08 4.88 -0.02 2.17 1.01 0.06 -0.76 121.20 125.46 1ra5 s ILE 29 Ca 0.35 0.66 -0.01 0.00 0.00 0.00 0.00 60.65 61.65 1ra5 s ILE 29 Cb 0.09 -4.08 -0.27 0.00 0.01 0.00 0.00 42.46 38.21 1ra5 s ILE 29 CO 0.16 -0.30 0.77 0.77 0.00 0.00 0.00 174.94 176.34 1ra5 h SER 30 N 8.42 0.33 -4.72 3.58 4.64 -0.98 0.14 113.55 124.96 1ra5 h SER 30 Ca -0.26 -0.51 0.03 0.00 -0.47 0.00 0.00 61.79 60.58 1ra5 h SER 30 Cb 1.11 -0.11 -0.17 0.00 -0.31 0.00 0.00 62.40 62.93 1ra5 h SER 30 CO 0.84 1.44 0.36 0.00 -0.87 0.00 0.00 176.83 178.60 1ra5 s ALA 31 N -2.61 -1.77 -0.10 5.18 0.00 -1.19 -4.68 121.76 116.58 1ra5 s ALA 31 Ca -0.10 1.04 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1ra5 s ALA 31 Cb 0.07 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.47 1ra5 s ALA 31 CO 0.84 -0.58 -0.10 0.42 0.00 0.00 0.00 175.76 176.34 1ra5 s ILE 32 N -2.53 1.12 -0.02 0.00 1.09 -1.26 -0.34 121.20 119.26 1ra5 s ILE 32 Ca -0.01 -0.38 0.05 0.00 -1.10 0.00 0.00 60.65 59.21 1ra5 s ILE 32 Cb -0.01 -1.09 -0.01 0.00 -1.06 0.00 0.00 42.46 40.29 1ra5 s ILE 32 CO -0.04 0.37 -0.15 -1.81 -0.10 0.00 0.00 174.94 173.21 1ra5 s ASP 33 N 1.40 1.81 0.49 3.58 1.01 -0.18 -4.97 116.67 119.80 1ra5 s ASP 33 Ca -0.00 -0.28 -0.21 0.00 0.71 0.00 0.00 52.55 52.77 1ra5 s ASP 33 Cb -0.13 -0.24 -0.08 0.00 1.01 0.00 0.00 42.92 43.47 1ra5 s ASP 33 CO -0.05 0.18 1.08 0.00 0.21 0.00 0.00 175.17 176.58 1ra5 s ALA 34 N -0.29 2.86 0.15 5.23 0.00 -1.26 -0.14 121.76 128.30 1ra5 s ALA 34 Ca 0.05 0.71 0.06 0.00 0.00 0.00 0.00 51.96 52.78 1ra5 s ALA 34 Cb -0.07 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1ra5 s ALA 34 CO -0.00 -0.46 0.03 -0.65 0.00 0.00 0.00 175.76 174.68 1ra5 s GLN 35 N -3.10 2.55 0.00 0.00 -0.21 0.15 -4.81 119.66 114.23 1ra5 s GLN 35 Ca 0.67 -0.98 0.19 0.00 0.02 0.00 0.00 55.36 55.27 1ra5 s GLN 35 Cb -0.20 -2.47 0.19 0.00 1.00 0.00 0.00 33.01 31.53 1ra5 s GLN 35 CO 0.24 0.49 1.15 -1.13 -2.12 0.00 0.00 175.29 173.91 1ra5 n SER 36 N 0.03 2.72 -1.79 5.90 3.41 -1.26 -4.38 113.62 118.24 1ra5 n SER 36 Ca -0.10 -1.83 -0.01 0.00 -0.26 0.00 0.00 58.87 56.67 1ra5 n SER 36 Cb 0.54 -0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.46 1ra5 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ra5 n GLY 37 N 1.11 1.02 3.70 5.00 0.00 -1.26 -5.08 105.19 109.69 1ra5 n GLY 37 Ca 0.12 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 1ra5 n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ra5 s VAL 38 N -2.38 4.78 0.27 1.61 1.01 -1.26 -4.94 120.40 119.51 1ra5 s VAL 38 Ca 0.08 2.02 -0.15 0.00 0.00 0.00 0.00 61.98 63.92 1ra5 s VAL 38 Cb -0.01 -4.29 -0.08 0.00 0.00 0.00 0.00 36.38 31.99 1ra5 s VAL 38 CO 0.02 0.09 0.70 -0.04 0.00 0.00 0.00 175.10 175.87 1ra5 s MET 39 N 1.44 4.04 0.46 2.72 -1.94 -1.26 -5.06 119.30 119.69 1ra5 s MET 39 Ca 0.51 0.66 -0.21 0.00 -1.71 0.00 0.00 55.69 54.94 1ra5 s MET 39 Cb -0.20 -2.60 -0.10 0.00 2.01 0.00 0.00 34.83 33.94 1ra5 s MET 39 CO 0.24 0.26 1.00 -1.25 -0.01 0.00 0.00 175.02 175.25 1ra5 s PRO 40 N -2.65 3.99 0.69 2.03 0.04 -1.26 -4.91 135.00 132.93 1ra5 s PRO 40 Ca 0.50 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.69 1ra5 s PRO 40 Cb -0.12 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1ra5 s PRO 40 CO 0.19 -0.26 1.06 -1.50 0.04 0.00 0.00 177.00 176.53 1ra5 s ILE 41 N -2.06 4.09 0.07 0.56 -1.16 -1.26 -5.06 121.20 116.37 1ra5 s ILE 41 Ca 0.65 0.68 -0.27 0.00 -0.51 0.00 0.00 60.65 61.20 1ra5 s ILE 41 Cb -0.13 -3.44 0.08 0.00 0.61 0.00 0.00 42.46 39.58 1ra5 s ILE 41 CO 0.17 -0.88 0.93 0.28 -2.81 0.00 0.00 174.94 172.63 1ra5 s THR 42 N -3.05 0.00 0.41 4.00 -1.32 -1.26 -5.08 115.64 109.33 1ra5 s THR 42 Ca 0.58 -0.33 -0.26 0.00 -1.21 0.00 0.00 61.69 60.47 1ra5 s THR 42 Cb -0.14 -1.51 -0.09 0.00 -1.51 0.00 0.00 72.50 69.25 1ra5 s THR 42 CO 0.55 0.00 1.37 -0.70 -2.21 0.00 0.00 174.62 173.62 1ra5 s GLU 43 N -3.18 3.93 0.00 7.08 2.12 -1.26 -1.98 118.70 125.40 1ra5 s GLU 43 Ca 0.09 2.30 0.00 0.00 0.36 0.00 0.00 54.97 57.71 1ra5 s GLU 43 Cb -0.01 -2.78 0.00 0.00 0.26 0.00 0.00 34.13 31.60 1ra5 s GLU 43 CO -0.03 -0.58 0.00 0.09 -0.54 0.00 0.00 175.26 174.20 1ra5 n ASN 44 N 0.12 -1.05 -4.36 -1.70 3.02 -1.26 -4.96 115.26 105.08 1ra5 n ASN 44 Ca 0.03 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.25 1ra5 n ASN 44 Cb 0.42 -0.17 -0.14 0.00 -0.61 0.00 0.00 39.78 39.28 1ra5 n ASN 44 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1ra5 s SER 45 N -2.64 4.02 -0.30 6.41 0.01 -0.84 0.21 113.70 120.57 1ra5 s SER 45 Ca 0.00 -0.34 -0.12 0.00 1.31 0.00 0.00 55.95 56.80 1ra5 s SER 45 Cb 0.00 -1.62 -0.04 0.00 0.21 0.00 0.00 66.02 64.57 1ra5 s SER 45 CO 0.00 0.14 0.21 -0.22 0.41 0.00 0.00 173.24 173.79 1ra5 s LEU 46 N 0.47 4.17 -0.42 2.44 2.96 0.17 -4.64 118.68 123.82 1ra5 s LEU 46 Ca -0.09 -0.12 -0.24 0.00 -0.22 0.00 0.00 54.13 53.46 1ra5 s LEU 46 Cb -0.16 -2.13 0.02 0.00 0.50 0.00 0.00 46.19 44.42 1ra5 s LEU 46 CO 0.04 -0.11 0.82 -0.62 -1.32 0.00 0.00 176.35 175.17 1ra5 s ASP 47 N 1.75 6.48 0.08 3.68 -1.08 -1.26 -1.31 116.67 125.01 1ra5 s ASP 47 Ca 0.07 0.11 0.20 0.00 -0.52 0.00 0.00 52.55 52.41 1ra5 s ASP 47 Cb -0.16 -2.41 0.82 0.00 -1.46 0.00 0.00 42.92 39.71 1ra5 s ASP 47 CO 0.11 -0.89 1.62 0.00 0.52 0.00 0.00 175.17 176.53 1ra5 n ALA 48 N 6.73 1.81 -3.97 3.66 0.00 -0.18 -4.90 120.51 123.67 1ra5 n ALA 48 Ca 0.04 -0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 1ra5 n ALA 48 Cb 0.48 -1.33 0.01 0.00 0.00 0.00 0.00 19.45 18.62 1ra5 n ALA 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ra5 n GLU 49 N -1.74 -4.63 -1.66 0.00 1.02 -1.24 -0.57 120.64 111.81 1ra5 n GLU 49 Ca 0.04 0.52 -0.15 0.00 -0.02 0.00 0.00 57.16 57.55 1ra5 n GLU 49 Cb 0.23 -5.25 -0.05 0.00 -0.02 0.00 0.00 31.44 26.35 1ra5 n GLU 49 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1ra5 n GLN 50 N -4.53 -1.09 -2.33 3.49 6.02 0.42 -5.00 117.38 114.37 1ra5 n GLN 50 Ca -0.03 0.95 -0.26 0.00 -0.01 0.00 0.00 57.00 57.65 1ra5 n GLN 50 Cb 0.55 -5.15 0.13 0.00 1.02 0.00 0.00 30.24 26.80 1ra5 n GLN 50 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1ra5 s GLY 51 N -2.71 1.76 -0.14 1.08 0.00 0.26 -4.65 107.32 102.93 1ra5 s GLY 51 Ca 0.00 -1.50 -0.17 0.00 0.00 0.00 0.00 44.72 43.05 1ra5 s GLY 51 CO 0.00 -0.86 0.43 -2.27 0.00 0.00 0.00 173.10 170.39 1ra5 s LEU 52 N -5.42 4.26 -0.17 0.66 2.96 -0.44 -1.05 118.68 119.48 1ra5 s LEU 52 Ca 0.69 0.72 -0.04 0.00 -0.22 0.00 0.00 54.13 55.28 1ra5 s LEU 52 Cb -0.05 -2.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.01 1ra5 s LEU 52 CO 0.47 0.02 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.79 1ra5 s VAL 53 N 0.64 3.75 0.07 1.68 1.01 0.03 -0.84 120.40 126.76 1ra5 s VAL 53 Ca 0.23 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 1ra5 s VAL 53 Cb -0.15 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1ra5 s VAL 53 CO 0.08 0.47 0.02 0.27 0.00 0.00 0.00 175.10 175.94 1ra5 s ILE 54 N 0.66 0.18 1.02 2.22 -0.00 -0.80 -4.56 121.20 119.93 1ra5 s ILE 54 Ca -0.02 -1.75 -0.12 0.00 -0.00 0.00 0.00 60.65 58.76 1ra5 s ILE 54 Cb -0.14 -1.61 0.20 0.00 -0.00 0.00 0.00 42.46 40.90 1ra5 s ILE 54 CO 0.02 -0.84 1.08 -2.16 -0.00 0.00 0.00 174.94 173.04 1ra5 s PRO 55 N -3.94 0.26 0.68 0.37 0.04 -1.26 -0.80 135.00 130.35 1ra5 s PRO 55 Ca 0.10 0.81 -0.17 0.00 0.04 0.00 0.00 61.00 61.78 1ra5 s PRO 55 Cb 0.07 -1.69 0.01 0.00 0.04 0.00 0.00 34.50 32.93 1ra5 s PRO 55 CO -0.08 -2.92 1.23 -2.30 0.04 0.00 0.00 177.00 172.97 1ra5 n PRO 56 N -4.35 0.87 -1.47 0.56 -0.02 -1.26 -4.52 135.00 124.80 1ra5 n PRO 56 Ca 0.06 0.36 -0.33 0.00 -2.02 0.00 0.00 63.50 61.56 1ra5 n PRO 56 Cb 0.55 -2.47 0.08 0.00 -0.02 0.00 0.00 33.50 31.64 1ra5 n PRO 56 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1ra5 s PHE 57 N -1.57 2.25 0.01 6.00 2.99 -0.56 -4.76 117.98 122.33 1ra5 s PHE 57 Ca 0.80 1.60 0.05 0.00 0.00 0.00 0.00 56.93 59.38 1ra5 s PHE 57 Cb -0.36 -3.32 -0.02 0.00 0.00 0.00 0.00 43.02 39.32 1ra5 s PHE 57 CO 0.43 -2.24 -0.17 0.08 -0.00 0.00 0.00 175.22 173.32 1ra5 s VAL 58 N -2.23 1.33 -0.47 -0.44 1.01 -0.85 -2.43 120.40 116.31 1ra5 s VAL 58 Ca 0.70 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 1ra5 s VAL 58 Cb -0.25 -1.13 0.13 0.00 0.00 0.00 0.00 36.38 35.13 1ra5 s VAL 58 CO 0.46 0.26 0.27 -0.70 0.00 0.00 0.00 175.10 175.39 1ra5 s GLU 59 N -0.68 2.14 0.03 2.72 2.56 -0.00 -4.84 118.70 120.63 1ra5 s GLU 59 Ca 0.06 -2.07 0.24 0.00 0.00 0.00 0.00 54.97 53.19 1ra5 s GLU 59 Cb -0.07 -3.60 0.98 0.00 2.00 0.00 0.00 34.13 33.44 1ra5 s GLU 59 CO 0.00 -1.10 1.75 -0.35 -0.56 0.00 0.00 175.26 175.00 1ra5 n PRO 60 N 4.18 0.03 -3.22 4.30 -0.04 -1.26 -0.70 135.00 138.28 1ra5 n PRO 60 Ca 0.01 0.13 -0.01 0.00 -0.04 0.00 0.00 63.50 63.59 1ra5 n PRO 60 Cb 0.40 -1.55 -0.03 0.00 -0.04 0.00 0.00 33.50 32.28 1ra5 n PRO 60 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1ra5 s HIS 61 N -3.03 -1.40 0.07 0.54 5.04 -1.24 -4.53 115.29 110.75 1ra5 s HIS 61 Ca 0.11 1.08 -0.08 0.00 -1.54 0.00 0.00 55.06 54.63 1ra5 s HIS 61 Cb 0.15 0.24 -0.00 0.00 0.04 0.00 0.00 32.58 33.00 1ra5 s HIS 61 CO 0.44 -0.93 0.16 -1.50 -2.34 0.00 0.00 174.74 170.57 1ra5 s ILE 62 N 2.72 0.14 -0.57 0.89 -1.16 -0.80 0.06 121.20 122.48 1ra5 s ILE 62 Ca 0.14 -1.17 -0.01 0.00 -0.51 0.00 0.00 60.65 59.10 1ra5 s ILE 62 Cb -0.13 -1.23 0.15 0.00 0.61 0.00 0.00 42.46 41.85 1ra5 s ILE 62 CO -0.23 -0.64 0.36 -1.00 -2.81 0.00 0.00 174.94 170.61 1ra5 s HIS 63 N -3.49 3.38 -0.60 3.50 3.76 -0.38 -0.70 115.29 120.75 1ra5 s HIS 63 Ca 0.02 -2.82 0.25 0.00 -0.15 0.00 0.00 55.06 52.36 1ra5 s HIS 63 Cb 0.03 -3.09 0.89 0.00 1.11 0.00 0.00 32.58 31.52 1ra5 s HIS 63 CO -0.09 -0.83 1.75 1.28 -0.85 0.00 0.00 174.74 176.00 1ra5 n LEU 64 N 3.52 0.77 0.20 0.89 4.77 -1.26 -2.12 117.00 123.77 1ra5 n LEU 64 Ca 0.06 0.62 0.11 0.00 -0.03 0.00 0.00 56.01 56.77 1ra5 n LEU 64 Cb 0.37 -0.44 0.14 0.00 -2.33 0.00 0.00 43.42 41.16 1ra5 n LEU 64 CO 0.33 -0.36 0.71 -2.24 -1.33 0.00 0.00 177.39 174.49 1ra5 h ASP 65 N 0.00 0.00 0.00 -1.43 -0.00 -1.92 -3.31 116.42 109.76 1ra5 h ASP 65 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1ra5 h ASP 65 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.90 1ra5 h ASP 65 CO 0.00 0.05 -0.90 0.35 -0.00 0.00 0.00 179.24 178.74 1ra5 n THR 66 N -3.07 0.00 -1.70 1.15 -2.24 -1.15 -4.95 114.28 102.31 1ra5 n THR 66 Ca 0.03 -0.19 -0.41 0.00 -2.27 0.00 0.00 64.05 61.21 1ra5 n THR 66 Cb 0.55 0.84 0.01 0.00 -2.10 0.00 0.00 70.33 69.62 1ra5 n THR 66 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1ra5 n THR 67 N -1.48 2.40 -1.14 4.28 5.66 -0.90 -2.57 114.28 120.53 1ra5 n THR 67 Ca 0.02 -0.50 -0.05 0.00 -3.05 0.00 0.00 64.05 60.47 1ra5 n THR 67 Cb 0.26 -1.58 -0.02 0.00 -1.55 0.00 0.00 70.33 67.45 1ra5 n THR 67 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ra5 n GLN 68 N 0.18 -0.68 -0.19 1.09 1.13 -0.50 -4.78 117.38 113.64 1ra5 n GLN 68 Ca 0.06 0.54 0.07 0.00 -1.94 0.00 0.00 57.00 55.73 1ra5 n GLN 68 Cb 0.39 -4.29 0.17 0.00 0.11 0.00 0.00 30.24 26.61 1ra5 n GLN 68 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1ra5 n THR 69 N -2.69 0.84 -1.65 5.09 -2.24 -0.49 -4.96 114.28 108.19 1ra5 n THR 69 Ca -0.05 -0.92 -0.47 0.00 -2.27 0.00 0.00 64.05 60.34 1ra5 n THR 69 Cb 0.24 0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 69.06 1ra5 n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ra5 n ALA 70 N 0.77 0.73 -0.65 6.98 0.00 -0.73 -1.46 120.51 126.15 1ra5 n ALA 70 Ca 0.13 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1ra5 n ALA 70 Cb 0.45 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1ra5 n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ra5 n GLY 71 N 2.91 0.82 3.25 0.00 0.00 -1.25 -4.94 105.19 105.99 1ra5 n GLY 71 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1ra5 n GLY 71 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ra5 s GLN 72 N -0.35 2.87 0.00 1.61 -0.21 -0.54 -2.69 119.66 120.35 1ra5 s GLN 72 Ca 0.00 -0.97 0.27 0.00 0.02 0.00 0.00 55.36 54.67 1ra5 s GLN 72 Cb 0.00 -3.16 0.80 0.00 1.00 0.00 0.00 33.01 31.65 1ra5 s GLN 72 CO 0.00 -0.45 1.60 -0.35 -2.12 0.00 0.00 175.29 173.97 1ra5 n PRO 73 N 4.74 0.31 -4.12 2.91 -0.04 -1.26 -4.34 135.00 133.20 1ra5 n PRO 73 Ca -0.15 -0.15 -0.08 0.00 -0.04 0.00 0.00 63.50 63.07 1ra5 n PRO 73 Cb 0.47 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 1ra5 n PRO 73 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1ra5 s ASN 74 N -2.79 0.66 0.20 3.54 0.01 -1.10 -5.16 114.94 110.30 1ra5 s ASN 74 Ca 0.18 -1.02 -0.10 0.00 -0.71 0.00 0.00 52.86 51.21 1ra5 s ASN 74 Cb 0.19 0.18 -0.07 0.00 0.41 0.00 0.00 41.25 41.95 1ra5 s ASN 74 CO 0.59 -0.57 0.52 0.26 -1.51 0.00 0.00 177.10 176.40 1ra5 s TRP 75 N -3.85 3.46 -0.84 2.20 0.52 -1.26 -3.75 118.94 115.41 1ra5 s TRP 75 Ca 0.09 0.85 -0.26 0.00 0.02 0.00 0.00 56.10 56.81 1ra5 s TRP 75 Cb 0.07 -2.24 0.04 0.00 -1.15 0.00 0.00 33.47 30.19 1ra5 s TRP 75 CO -0.08 0.32 1.36 1.21 0.02 0.00 0.00 176.95 179.78 1ra5 s ASN 76 N -2.27 6.26 0.14 2.95 3.84 -1.26 -4.86 114.94 119.73 1ra5 s ASN 76 Ca 0.45 -0.80 -0.12 0.00 0.21 0.00 0.00 52.86 52.60 1ra5 s ASN 76 Cb -0.12 -2.56 -0.03 0.00 -0.55 0.00 0.00 41.25 37.99 1ra5 s ASN 76 CO 0.21 -1.74 1.50 1.56 -2.79 0.00 0.00 177.10 175.84 1ra5 h GLN 77 N 10.04 0.91 0.00 0.43 1.08 -1.95 -3.21 115.11 122.41 1ra5 h GLN 77 Ca -0.10 -0.43 0.00 0.00 -1.45 0.00 0.00 58.65 56.67 1ra5 h GLN 77 Cb 1.04 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.46 1ra5 h GLN 77 CO 1.33 1.08 0.00 0.66 -0.95 0.00 0.00 178.83 180.95 1ra5 h SER 78 N 0.73 0.00 -3.10 1.46 4.64 -1.99 -3.47 113.55 111.83 1ra5 h SER 78 Ca 0.08 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.13 1ra5 h SER 78 Cb 0.84 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.97 1ra5 h SER 78 CO 0.07 0.00 -0.41 0.61 -0.87 0.00 0.00 176.83 176.23 1ra5 n GLY 79 N 0.95 -0.14 3.58 -0.77 0.00 -1.21 -5.02 105.19 102.58 1ra5 n GLY 79 Ca 0.04 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 1ra5 n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ra5 s THR 80 N -2.95 3.11 0.18 2.61 -4.23 -1.26 -4.22 115.64 108.87 1ra5 s THR 80 Ca 0.19 -2.08 -0.14 0.00 -1.18 0.00 0.00 61.69 58.48 1ra5 s THR 80 Cb -0.08 -2.65 0.08 0.00 1.34 0.00 0.00 72.50 71.18 1ra5 s THR 80 CO 0.23 -0.38 1.84 0.25 -0.54 0.00 0.00 174.62 176.03 1ra5 h LEU 81 N 2.03 0.64 -0.37 4.79 5.85 -1.96 -1.23 115.31 125.07 1ra5 h LEU 81 Ca -0.43 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 1ra5 h LEU 81 Cb 1.25 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1ra5 h LEU 81 CO 0.60 0.47 0.16 -0.26 -0.34 0.00 0.00 178.44 179.07 1ra5 h PHE 82 N 0.76 0.55 -0.14 1.25 -1.00 -1.97 -0.99 116.94 115.39 1ra5 h PHE 82 Ca 0.20 -0.04 -0.12 0.00 2.81 0.00 0.00 57.97 60.83 1ra5 h PHE 82 Cb -0.09 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.30 1ra5 h PHE 82 CO -0.04 0.49 -0.43 1.49 -1.61 0.00 0.00 178.31 178.22 1ra5 h GLU 83 N 0.45 0.34 -0.65 1.51 4.81 -1.96 -2.70 114.58 116.38 1ra5 h GLU 83 Ca 0.12 -0.17 0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1ra5 h GLU 83 Cb 0.16 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.49 1ra5 h GLU 83 CO -0.01 0.71 0.37 0.78 -0.73 0.00 0.00 179.01 180.13 1ra5 h GLY 84 N 1.19 0.95 1.33 1.92 0.00 -0.56 0.76 103.07 108.67 1ra5 h GLY 84 Ca 0.02 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 1ra5 h GLY 84 CO 0.07 0.18 0.06 -2.22 0.00 0.00 0.00 176.54 174.63 1ra5 h ILE 85 N 0.70 1.24 -0.37 2.60 5.03 -0.99 0.20 117.51 125.92 1ra5 h ILE 85 Ca 0.28 -0.93 -0.06 0.00 -0.12 0.00 0.00 64.86 64.03 1ra5 h ILE 85 Cb 0.13 0.78 -0.01 0.00 -3.03 0.00 0.00 36.82 34.69 1ra5 h ILE 85 CO -0.16 0.34 0.00 -0.08 -0.68 0.00 0.00 178.15 177.57 1ra5 h GLU 86 N 0.79 0.65 -0.54 2.37 4.57 -0.99 -0.30 114.58 121.13 1ra5 h GLU 86 Ca 0.16 -0.21 -0.08 0.00 -1.18 0.00 0.00 59.36 58.06 1ra5 h GLU 86 Cb 0.39 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 1ra5 h GLU 86 CO 0.01 0.75 0.02 0.00 -1.18 0.00 0.00 179.01 178.61 1ra5 h ARG 87 N 0.47 0.90 -0.63 1.92 2.47 -0.65 -2.66 114.38 116.19 1ra5 h ARG 87 Ca 0.11 -0.25 -0.09 0.00 -1.26 0.00 0.00 59.98 58.49 1ra5 h ARG 87 Cb 0.46 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.65 1ra5 h ARG 87 CO 0.02 0.88 0.05 2.35 0.56 0.00 0.00 179.97 183.82 1ra5 h TRP 88 N 0.83 1.17 -0.88 3.04 -0.00 -0.75 -2.65 115.95 116.72 1ra5 h TRP 88 Ca 0.16 -0.19 0.08 0.00 -0.00 0.00 0.00 58.89 58.95 1ra5 h TRP 88 Cb 0.47 -0.31 -0.06 0.00 -0.00 0.00 0.00 29.16 29.26 1ra5 h TRP 88 CO 0.03 1.01 0.57 0.00 -0.00 0.00 0.00 178.44 180.05 1ra5 h ALA 89 N 1.01 1.60 -0.55 2.65 0.00 -0.72 0.60 119.26 123.86 1ra5 h ALA 89 Ca 0.19 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1ra5 h ALA 89 Cb 0.51 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1ra5 h ALA 89 CO 0.02 0.24 -0.05 0.93 0.00 0.00 0.00 179.25 180.39 1ra5 h GLU 90 N 0.92 0.98 -0.04 0.00 5.08 -1.22 -2.81 114.58 117.48 1ra5 h GLU 90 Ca 0.39 -0.32 -0.20 0.00 -1.00 0.00 0.00 59.36 58.24 1ra5 h GLU 90 Cb 0.32 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1ra5 h GLU 90 CO -0.16 0.99 -0.81 -0.09 -1.00 0.00 0.00 179.01 177.94 1ra5 h ARG 91 N 0.89 0.35 -0.37 2.33 9.65 -0.83 -3.20 114.38 123.20 1ra5 h ARG 91 Ca 0.15 -0.33 -0.00 0.00 -1.10 0.00 0.00 59.98 58.70 1ra5 h ARG 91 Cb 0.58 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.23 1ra5 h ARG 91 CO 0.04 0.99 0.21 -0.22 2.80 0.00 0.00 179.97 183.79 1ra5 h LYS 92 N 0.22 0.49 0.00 0.20 3.64 0.32 -0.75 116.57 120.69 1ra5 h LYS 92 Ca -0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1ra5 h LYS 92 Cb 1.41 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1ra5 h LYS 92 CO 0.14 0.35 0.00 0.00 -2.27 0.00 0.00 179.45 177.67 1ra5 h ALA 93 N 1.73 1.00 -0.23 5.00 0.00 -1.49 -2.81 119.26 122.46 1ra5 h ALA 93 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ra5 h ALA 93 Cb -0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ra5 h ALA 93 CO -0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.51 1ra5 n LEU 94 N -2.30 2.86 -4.76 0.00 4.77 -0.30 -5.03 117.00 112.25 1ra5 n LEU 94 Ca 0.02 -1.40 -0.39 0.00 -0.03 0.00 0.00 56.01 54.20 1ra5 n LEU 94 Cb 0.22 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.19 1ra5 n LEU 94 CO 0.19 0.61 1.01 -0.76 -1.33 0.00 0.00 177.39 177.11 1ra5 s LEU 95 N -1.27 3.99 0.06 2.23 1.43 -1.06 -5.04 118.68 119.02 1ra5 s LEU 95 Ca 0.27 2.79 0.02 0.00 -1.03 0.00 0.00 54.13 56.18 1ra5 s LEU 95 Cb 0.16 -4.11 -0.03 0.00 0.03 0.00 0.00 46.19 42.24 1ra5 s LEU 95 CO 0.23 -1.32 -0.07 0.42 0.23 0.00 0.00 176.35 175.84 1ra5 s THR 96 N -1.28 0.60 0.13 5.49 -4.23 -1.26 -5.05 115.64 110.05 1ra5 s THR 96 Ca 0.66 -1.42 -0.27 0.00 -1.18 0.00 0.00 61.69 59.47 1ra5 s THR 96 Cb -0.41 -1.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.35 1ra5 s THR 96 CO 0.50 -0.58 1.60 -0.74 -0.54 0.00 0.00 174.62 174.86 1ra5 h HIS 97 N 3.89 -1.04 -0.46 3.99 2.76 -1.96 -1.93 115.15 120.38 1ra5 h HIS 97 Ca -0.36 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 57.81 1ra5 h HIS 97 Cb 1.19 0.48 -0.02 0.00 1.55 0.00 0.00 27.41 30.60 1ra5 h HIS 97 CO 0.62 -0.44 0.11 -0.44 -1.30 0.00 0.00 177.93 176.48 1ra5 h ASP 98 N -0.45 0.65 -0.51 3.26 3.45 -1.97 -2.04 116.42 118.80 1ra5 h ASP 98 Ca 0.08 -0.10 -0.08 0.00 0.43 0.00 0.00 57.03 57.36 1ra5 h ASP 98 Cb 0.59 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.18 1ra5 h ASP 98 CO -0.37 0.65 0.01 -0.78 -1.57 0.00 0.00 179.24 177.17 1ra5 h ASP 99 N 0.68 0.88 -0.44 6.45 3.58 -1.88 -0.57 116.42 125.12 1ra5 h ASP 99 Ca 0.15 -0.30 -0.03 0.00 0.42 0.00 0.00 57.03 57.27 1ra5 h ASP 99 Cb 0.26 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 1ra5 h ASP 99 CO -0.00 0.97 0.16 0.58 -2.88 0.00 0.00 179.24 178.07 1ra5 h VAL 100 N 0.77 1.21 -0.65 2.25 2.07 -1.08 -1.89 116.25 118.94 1ra5 h VAL 100 Ca 0.15 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 1ra5 h VAL 100 Cb 0.51 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1ra5 h VAL 100 CO 0.02 0.25 0.27 0.11 0.02 0.00 0.00 177.57 178.24 1ra5 h LYS 101 N 0.58 0.96 -0.17 1.57 1.57 -1.19 -0.85 116.57 119.04 1ra5 h LYS 101 Ca 0.15 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1ra5 h LYS 101 Cb 0.22 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1ra5 h LYS 101 CO -0.01 0.80 0.06 0.37 -0.57 0.00 0.00 179.45 180.10 1ra5 h GLN 102 N 0.91 0.25 -0.50 3.15 -0.00 -0.95 -0.92 115.11 117.04 1ra5 h GLN 102 Ca 0.22 -0.05 -0.08 0.00 -0.00 0.00 0.00 58.65 58.74 1ra5 h GLN 102 Cb 0.19 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.61 1ra5 h GLN 102 CO -0.02 0.34 0.00 0.00 0.00 0.00 0.00 178.83 179.15 1ra5 h ARG 103 N 0.11 0.88 -0.37 1.69 3.08 -1.25 -1.76 114.38 116.76 1ra5 h ARG 103 Ca 0.06 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 1ra5 h ARG 103 Cb 0.18 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1ra5 h ARG 103 CO -0.00 0.91 0.21 0.00 -1.07 0.00 0.00 179.97 180.02 1ra5 h ALA 104 N 0.94 0.48 -0.26 0.04 0.00 -1.08 -2.42 119.26 116.95 1ra5 h ALA 104 Ca 0.14 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1ra5 h ALA 104 Cb 0.51 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ra5 h ALA 104 CO 0.03 -0.01 0.03 -1.49 0.00 0.00 0.00 179.25 177.80 1ra5 h TRP 105 N 0.48 0.38 -0.11 0.00 4.06 -1.04 0.30 115.95 120.01 1ra5 h TRP 105 Ca 0.13 -0.02 -0.00 0.00 2.06 0.00 0.00 58.89 61.06 1ra5 h TRP 105 Cb 0.04 -0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 28.08 1ra5 h TRP 105 CO -0.03 0.37 0.06 0.37 -3.56 0.00 0.00 178.44 175.65 1ra5 h GLN 106 N 0.37 0.16 -0.29 0.49 4.15 -0.84 -0.95 115.11 118.19 1ra5 h GLN 106 Ca 0.09 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.35 1ra5 h GLN 106 Cb 0.21 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1ra5 h GLN 106 CO 0.00 0.20 -0.40 1.15 -1.93 0.00 0.00 178.83 177.85 1ra5 h THR 107 N 0.08 1.29 -0.68 2.39 2.02 -1.20 -2.94 112.91 113.86 1ra5 h THR 107 Ca 0.04 -1.57 -0.01 0.00 0.77 0.00 0.00 66.41 65.64 1ra5 h THR 107 Cb 0.09 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 1ra5 h THR 107 CO -0.01 0.51 0.38 -0.07 0.37 0.00 0.00 175.52 176.70 1ra5 h LEU 108 N 0.57 0.82 -0.90 2.58 3.38 -0.71 -0.91 115.31 120.14 1ra5 h LEU 108 Ca 0.05 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1ra5 h LEU 108 Cb 0.93 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1ra5 h LEU 108 CO 0.08 0.66 0.13 0.11 0.09 0.00 0.00 178.44 179.51 1ra5 h LYS 109 N 0.94 0.94 -0.74 1.13 1.57 -1.02 0.42 116.57 119.80 1ra5 h LYS 109 Ca 0.24 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1ra5 h LYS 109 Cb 0.01 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 1ra5 h LYS 109 CO -0.04 0.85 0.26 -1.49 -0.57 0.00 0.00 179.45 178.46 1ra5 h TRP 110 N 0.89 1.15 -0.57 -1.35 4.06 -1.19 -1.34 115.95 117.60 1ra5 h TRP 110 Ca 0.19 -0.10 -0.07 0.00 2.06 0.00 0.00 58.89 60.97 1ra5 h TRP 110 Cb 0.34 -0.34 -0.02 0.00 -1.00 0.00 0.00 29.16 28.14 1ra5 h TRP 110 CO 0.02 0.89 0.09 1.96 -3.56 0.00 0.00 178.44 177.84 1ra5 h GLN 111 N 1.09 0.95 -0.65 0.49 4.20 -0.39 -0.82 115.11 119.99 1ra5 h GLN 111 Ca 0.24 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1ra5 h GLN 111 Cb 0.25 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 1ra5 h GLN 111 CO -0.01 0.91 0.38 0.82 -0.67 0.00 0.00 178.83 180.25 1ra5 h ILE 112 N 0.85 1.20 -0.04 2.54 2.04 -0.63 -0.61 117.51 122.85 1ra5 h ILE 112 Ca 0.17 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 1ra5 h ILE 112 Cb 0.42 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1ra5 h ILE 112 CO 0.01 0.21 -0.06 0.00 0.00 0.00 0.00 178.15 178.31 1ra5 h ALA 113 N 1.19 1.82 -0.42 1.87 0.00 -0.91 -2.09 119.26 120.72 1ra5 h ALA 113 Ca 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ra5 h ALA 113 Cb 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1ra5 h ALA 113 CO -0.04 0.14 0.02 0.09 0.00 0.00 0.00 179.25 179.46 1ra5 n ASN 114 N -4.43 4.33 -1.10 0.00 3.02 -0.34 -4.62 115.26 112.13 1ra5 n ASN 114 Ca -0.02 -2.69 -0.13 0.00 -0.03 0.00 0.00 54.58 51.71 1ra5 n ASN 114 Cb 0.16 -0.64 -0.05 0.00 -0.61 0.00 0.00 39.78 38.65 1ra5 n ASN 114 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ra5 n GLY 115 N 0.39 1.14 3.59 7.41 0.00 -0.79 -4.82 105.19 112.11 1ra5 n GLY 115 Ca 0.21 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 1ra5 n GLY 115 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ra5 s ILE 116 N -2.52 5.08 -1.02 -0.61 1.09 -0.33 -1.50 121.20 121.39 1ra5 s ILE 116 Ca 0.00 0.55 0.09 0.00 -1.10 0.00 0.00 60.65 60.20 1ra5 s ILE 116 Cb 0.00 -3.85 0.04 0.00 -1.06 0.00 0.00 42.46 37.59 1ra5 s ILE 116 CO 0.00 -0.02 0.70 0.00 -0.10 0.00 0.00 174.94 175.52 1ra5 n GLN 117 N 5.56 1.29 -3.92 2.79 6.02 -1.02 -4.21 117.38 123.89 1ra5 n GLN 117 Ca -0.06 -0.82 -0.20 0.00 -0.01 0.00 0.00 57.00 55.92 1ra5 n GLN 117 Cb 0.50 -1.12 -0.17 0.00 1.02 0.00 0.00 30.24 30.47 1ra5 n GLN 117 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1ra5 s HIS 118 N -1.06 0.54 -0.01 1.08 3.76 -1.25 -1.03 115.29 117.31 1ra5 s HIS 118 Ca 0.09 -0.10 0.00 0.00 -0.15 0.00 0.00 55.06 54.91 1ra5 s HIS 118 Cb 0.08 -0.62 0.01 0.00 1.11 0.00 0.00 32.58 33.16 1ra5 s HIS 118 CO 0.18 -0.22 -0.00 0.08 -0.85 0.00 0.00 174.74 173.93 1ra5 s VAL 119 N 1.39 0.11 -0.28 -0.90 1.01 -0.85 -0.82 120.40 120.06 1ra5 s VAL 119 Ca -0.04 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 1ra5 s VAL 119 Cb -0.13 -0.17 0.04 0.00 0.00 0.00 0.00 36.38 36.12 1ra5 s VAL 119 CO -0.03 0.09 -0.02 -0.60 0.00 0.00 0.00 175.10 174.54 1ra5 s ARG 120 N 0.54 2.64 -0.11 2.72 3.52 0.12 -0.26 118.95 128.11 1ra5 s ARG 120 Ca -0.05 -1.12 -0.03 0.00 -0.13 0.00 0.00 55.73 54.40 1ra5 s ARG 120 Cb -0.08 -3.12 -0.03 0.00 -1.56 0.00 0.00 34.95 30.16 1ra5 s ARG 120 CO -0.01 -0.52 -0.01 -0.08 -0.81 0.00 0.00 175.30 173.87 1ra5 s THR 121 N 1.30 4.23 0.22 4.11 -1.32 -0.05 -1.91 115.64 122.22 1ra5 s THR 121 Ca -0.03 -0.26 -0.15 0.00 -1.21 0.00 0.00 61.69 60.04 1ra5 s THR 121 Cb -0.18 -2.81 -0.08 0.00 -1.51 0.00 0.00 72.50 67.92 1ra5 s THR 121 CO -0.02 0.56 0.64 -1.00 -2.21 0.00 0.00 174.62 172.59 1ra5 s HIS 122 N -0.46 3.54 -0.06 9.09 3.76 0.12 -0.31 115.29 130.98 1ra5 s HIS 122 Ca 0.08 1.15 0.00 0.00 -0.15 0.00 0.00 55.06 56.15 1ra5 s HIS 122 Cb -0.12 -2.46 0.02 0.00 1.11 0.00 0.00 32.58 31.14 1ra5 s HIS 122 CO 0.02 0.31 -0.03 0.08 -0.85 0.00 0.00 174.74 174.27 1ra5 s VAL 123 N -1.65 0.51 -0.09 -0.90 1.01 -0.25 -4.06 120.40 114.97 1ra5 s VAL 123 Ca 0.44 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.08 1ra5 s VAL 123 Cb -0.14 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 1ra5 s VAL 123 CO 0.20 0.24 1.73 -0.62 0.00 0.00 0.00 175.10 176.65 1ra5 s ASP 124 N 1.31 6.48 -0.17 3.32 3.68 -1.26 -0.89 116.67 129.15 1ra5 s ASP 124 Ca -0.05 2.13 0.16 0.00 2.13 0.00 0.00 52.55 56.92 1ra5 s ASP 124 Cb -0.14 -2.53 0.54 0.00 -1.45 0.00 0.00 42.92 39.34 1ra5 s ASP 124 CO -0.02 -1.09 1.44 1.33 0.13 0.00 0.00 175.17 176.96 1ra5 n VAL 125 N 5.86 2.20 -2.41 1.11 0.24 0.24 -4.67 118.33 120.90 1ra5 n VAL 125 Ca 0.19 -1.74 -0.42 0.00 -2.04 0.00 0.00 64.34 60.33 1ra5 n VAL 125 Cb 0.43 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 1ra5 n VAL 125 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1ra5 n SER 126 N -0.27 5.51 -3.23 -1.34 7.64 -1.26 -4.65 113.62 116.02 1ra5 n SER 126 Ca 0.21 -3.17 0.04 0.00 1.01 0.00 0.00 58.87 56.96 1ra5 n SER 126 Cb 0.88 -1.44 -0.02 0.00 -1.01 0.00 0.00 64.21 62.62 1ra5 n SER 126 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ra5 s ASP 127 N 0.39 -0.97 0.56 6.43 3.68 -1.26 -4.92 116.67 120.58 1ra5 s ASP 127 Ca 0.39 0.75 0.25 0.00 2.13 0.00 0.00 52.55 56.08 1ra5 s ASP 127 Cb 0.10 1.87 1.50 0.00 -1.45 0.00 0.00 42.92 44.94 1ra5 s ASP 127 CO 0.01 -0.18 2.07 0.00 0.13 0.00 0.00 175.17 177.20 1ra5 h ALA 128 N 7.94 2.07 0.00 3.66 0.00 -1.95 -0.87 119.26 130.12 1ra5 h ALA 128 Ca -0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ra5 h ALA 128 Cb 1.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ra5 h ALA 128 CO 0.11 -0.37 -0.22 1.79 0.00 0.00 0.00 179.25 180.55 1ra5 h THR 129 N 0.00 0.00 -6.79 0.00 1.35 -1.96 -3.47 112.91 102.03 1ra5 h THR 129 Ca 0.13 -0.66 -0.56 0.00 -0.55 0.00 0.00 66.41 64.77 1ra5 h THR 129 Cb 0.60 1.52 -0.23 0.00 -1.73 0.00 0.00 68.15 68.31 1ra5 h THR 129 CO -0.00 0.00 -0.84 0.18 -0.25 0.00 0.00 175.52 174.61 1ra5 n LEU 130 N -2.48 -1.62 0.13 3.87 4.77 -0.33 -4.86 117.00 116.47 1ra5 n LEU 130 Ca 0.04 -1.03 -0.13 0.00 -0.03 0.00 0.00 56.01 54.86 1ra5 n LEU 130 Cb 0.47 -2.04 -0.07 0.00 -2.33 0.00 0.00 43.42 39.45 1ra5 n LEU 130 CO 0.33 0.27 0.77 0.74 -1.33 0.00 0.00 177.39 178.18 1ra5 h THR 131 N -1.44 0.68 -0.52 -5.08 2.02 -1.92 -1.97 112.91 104.68 1ra5 h THR 131 Ca -0.59 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.52 1ra5 h THR 131 Cb 1.38 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 1ra5 h THR 131 CO 0.80 0.00 0.03 0.00 0.37 0.00 0.00 175.52 176.72 1ra5 h ALA 132 N 0.47 1.07 -0.33 6.16 0.00 -1.89 -2.43 119.26 122.31 1ra5 h ALA 132 Ca -0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ra5 h ALA 132 Cb 0.30 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1ra5 h ALA 132 CO -0.02 0.59 0.19 1.25 0.00 0.00 0.00 179.25 181.26 1ra5 h LEU 133 N 0.81 0.41 -0.94 0.00 5.85 -1.79 0.89 115.31 120.54 1ra5 h LEU 133 Ca 0.16 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1ra5 h LEU 133 Cb 0.44 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1ra5 h LEU 133 CO 0.02 0.37 0.57 0.11 -0.34 0.00 0.00 178.44 179.17 1ra5 h LYS 134 N 0.42 1.26 -0.33 1.25 1.57 -1.19 -0.62 116.57 118.95 1ra5 h LYS 134 Ca 0.12 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1ra5 h LYS 134 Cb 0.04 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1ra5 h LYS 134 CO -0.02 0.88 0.02 0.00 -0.57 0.00 0.00 179.45 179.75 1ra5 h ALA 135 N 1.32 0.44 -0.15 3.86 0.00 -1.14 -3.08 119.26 120.50 1ra5 h ALA 135 Ca 0.34 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1ra5 h ALA 135 Cb -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1ra5 h ALA 135 CO -0.07 0.18 -0.15 1.98 0.00 0.00 0.00 179.25 181.19 1ra5 h MET 136 N 0.38 0.24 -0.20 0.00 1.85 -0.32 -1.27 114.93 115.61 1ra5 h MET 136 Ca 0.09 -0.06 -0.06 0.00 -0.61 0.00 0.00 59.70 59.06 1ra5 h MET 136 Cb 0.41 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.40 1ra5 h MET 136 CO 0.01 0.40 -0.16 -0.07 -0.40 0.00 0.00 176.91 176.69 1ra5 h LEU 137 N 0.23 0.33 -0.12 3.39 3.38 -1.05 0.94 115.31 122.41 1ra5 h LEU 137 Ca 0.05 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1ra5 h LEU 137 Cb 0.40 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1ra5 h LEU 137 CO 0.02 0.51 -0.41 -0.33 0.09 0.00 0.00 178.44 178.33 1ra5 h GLU 138 N 0.32 0.49 -0.88 1.13 5.08 -1.27 -3.10 114.58 116.34 1ra5 h GLU 138 Ca 0.06 -0.37 0.06 0.00 -1.00 0.00 0.00 59.36 58.12 1ra5 h GLU 138 Cb 0.47 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 1ra5 h GLU 138 CO 0.03 0.99 0.55 0.28 -1.00 0.00 0.00 179.01 179.86 1ra5 h VAL 139 N 0.08 1.04 -0.68 3.13 2.07 -0.79 -1.08 116.25 120.03 1ra5 h VAL 139 Ca -0.02 -0.34 0.10 0.00 0.82 0.00 0.00 66.70 67.25 1ra5 h VAL 139 Cb 1.04 -0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 1ra5 h VAL 139 CO 0.09 0.18 0.31 0.50 0.02 0.00 0.00 177.57 178.67 1ra5 h LYS 140 N 1.00 0.51 -0.35 1.57 3.64 -0.82 0.76 116.57 122.88 1ra5 h LYS 140 Ca 0.39 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.63 1ra5 h LYS 140 Cb 0.18 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1ra5 h LYS 140 CO -0.18 0.34 -0.20 1.96 -2.27 0.00 0.00 179.45 179.10 1ra5 h GLN 141 N 0.53 0.75 -0.45 1.90 4.20 -1.28 -2.78 115.11 117.98 1ra5 h GLN 141 Ca 0.34 -0.34 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 1ra5 h GLN 141 Cb 0.38 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1ra5 h GLN 141 CO -0.29 0.96 -0.03 0.93 -0.67 0.00 0.00 178.83 179.73 1ra5 h GLU 142 N 0.53 0.75 -0.01 1.46 5.08 -0.51 -3.07 114.58 118.82 1ra5 h GLU 142 Ca 0.07 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1ra5 h GLU 142 Cb 0.75 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1ra5 h GLU 142 CO 0.06 0.78 -0.28 1.55 -1.00 0.00 0.00 179.01 180.12 1ra5 n VAL 143 N -4.21 0.00 -0.35 3.13 3.14 0.19 -4.46 118.33 115.77 1ra5 n VAL 143 Ca 0.02 -0.10 0.27 0.00 -2.96 0.00 0.00 64.34 61.57 1ra5 n VAL 143 Cb 0.31 0.34 0.57 0.00 -1.06 0.00 0.00 33.84 34.00 1ra5 n VAL 143 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ra5 h ALA 144 N 3.57 2.44 0.00 1.55 0.00 -1.39 0.73 119.26 126.17 1ra5 h ALA 144 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ra5 h ALA 144 Cb 0.50 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ra5 h ALA 144 CO 0.00 -0.90 0.00 -1.35 0.00 0.00 0.00 179.25 177.00 1ra5 h PRO 145 N 0.28 0.00 0.00 0.00 0.11 -1.83 -3.31 132.00 127.25 1ra5 h PRO 145 Ca 0.65 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.68 1ra5 h PRO 145 Cb 1.84 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.94 1ra5 h PRO 145 CO -0.30 0.00 -1.30 0.91 -0.21 0.00 0.00 178.00 177.11 1ra5 n TRP 146 N -3.00 0.00 -3.81 0.65 8.01 0.10 -5.02 117.44 114.37 1ra5 n TRP 146 Ca -0.01 0.00 -0.14 0.00 -1.31 0.00 0.00 57.50 56.04 1ra5 n TRP 146 Cb 0.17 -0.21 -0.15 0.00 -2.01 0.00 0.00 31.31 29.11 1ra5 n TRP 146 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 1ra5 s ILE 147 N -2.10 -0.04 -0.51 -0.99 1.01 -0.34 -4.63 121.20 113.60 1ra5 s ILE 147 Ca -0.04 0.13 -0.22 0.00 0.00 0.00 0.00 60.65 60.52 1ra5 s ILE 147 Cb 0.01 -0.06 0.04 0.00 0.01 0.00 0.00 42.46 42.47 1ra5 s ILE 147 CO 0.16 0.05 0.81 -0.62 0.00 0.00 0.00 174.94 175.35 1ra5 s ASP 148 N 0.65 6.32 -0.23 3.58 -1.08 -0.20 -3.63 116.67 122.08 1ra5 s ASP 148 Ca -0.05 -0.45 -0.12 0.00 -0.52 0.00 0.00 52.55 51.40 1ra5 s ASP 148 Cb -0.08 -2.38 -0.05 0.00 -1.46 0.00 0.00 42.92 38.95 1ra5 s ASP 148 CO -0.02 -1.05 0.22 -0.22 0.52 0.00 0.00 175.17 174.62 1ra5 s LEU 149 N 3.41 4.12 -0.12 -1.34 2.96 -1.26 -2.01 118.68 124.44 1ra5 s LEU 149 Ca 0.26 0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 54.32 1ra5 s LEU 149 Cb -0.14 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 1ra5 s LEU 149 CO 0.18 0.03 0.13 -1.10 -1.32 0.00 0.00 176.35 174.26 1ra5 s GLN 150 N 1.13 3.44 -0.17 1.98 -0.21 0.64 -4.98 119.66 121.49 1ra5 s GLN 150 Ca 0.11 -0.15 -0.01 0.00 0.02 0.00 0.00 55.36 55.32 1ra5 s GLN 150 Cb -0.14 -3.17 -0.01 0.00 1.00 0.00 0.00 33.01 30.69 1ra5 s GLN 150 CO 0.05 0.76 -0.11 0.42 -2.12 0.00 0.00 175.29 174.29 1ra5 s ILE 151 N -0.96 3.00 -0.21 1.08 1.09 -1.26 -0.87 121.20 123.07 1ra5 s ILE 151 Ca 0.15 -0.65 -0.12 0.00 -1.10 0.00 0.00 60.65 58.93 1ra5 s ILE 151 Cb -0.12 -2.30 -0.05 0.00 -1.06 0.00 0.00 42.46 38.94 1ra5 s ILE 151 CO 0.04 0.49 0.20 -0.69 -0.10 0.00 0.00 174.94 174.88 1ra5 s VAL 152 N 0.86 5.35 -0.70 2.92 1.01 0.58 -0.87 120.40 129.55 1ra5 s VAL 152 Ca -0.03 0.31 -0.27 0.00 0.00 0.00 0.00 61.98 61.99 1ra5 s VAL 152 Cb -0.15 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.72 1ra5 s VAL 152 CO 0.00 0.38 1.25 0.00 0.00 0.00 0.00 175.10 176.72 1ra5 s ALA 153 N 0.73 2.82 -0.40 5.51 0.00 0.11 -1.09 121.76 129.44 1ra5 s ALA 153 Ca 0.11 -1.26 -0.13 0.00 0.00 0.00 0.00 51.96 50.68 1ra5 s ALA 153 Cb -0.13 -4.19 0.03 0.00 0.00 0.00 0.00 23.12 18.84 1ra5 s ALA 153 CO 0.02 -3.12 0.26 0.12 0.00 0.00 0.00 175.76 173.04 1ra5 s PHE 154 N 5.49 3.25 -1.31 0.00 5.36 -0.07 -0.92 117.98 129.78 1ra5 s PHE 154 Ca 0.36 -0.87 -0.15 0.00 -0.96 0.00 0.00 56.93 55.31 1ra5 s PHE 154 Cb -0.08 -2.59 0.10 0.00 -0.34 0.00 0.00 43.02 40.11 1ra5 s PHE 154 CO 0.17 -0.66 1.78 -0.35 -1.46 0.00 0.00 175.22 174.70 1ra5 n PRO 155 N 5.07 3.21 -0.32 10.12 -0.04 -1.26 -0.59 135.00 151.19 1ra5 n PRO 155 Ca -0.11 -3.31 0.27 0.00 -0.04 0.00 0.00 63.50 60.31 1ra5 n PRO 155 Cb 0.46 -3.30 0.59 0.00 -0.04 0.00 0.00 33.50 31.21 1ra5 n PRO 155 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1ra5 h GLN 156 N 6.99 0.25 -0.62 0.54 5.75 -1.92 0.43 115.11 126.53 1ra5 h GLN 156 Ca 0.44 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.92 1ra5 h GLN 156 Cb 0.80 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.30 1ra5 h GLN 156 CO 1.51 0.16 0.00 0.39 -2.65 0.00 0.00 178.83 178.24 1ra5 n GLU 157 N -4.49 3.98 0.00 1.69 1.02 -1.26 -5.01 120.64 116.57 1ra5 n GLU 157 Ca 0.25 -2.95 0.00 0.00 -0.02 0.00 0.00 57.16 54.44 1ra5 n GLU 157 Cb 1.00 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 1ra5 n GLU 157 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ra5 n GLY 158 N 0.95 2.05 0.10 0.62 0.00 0.14 -4.02 105.19 105.02 1ra5 n GLY 158 Ca 0.26 -1.84 -0.20 0.00 0.00 0.00 0.00 46.02 44.23 1ra5 n GLY 158 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ra5 h ILE 159 N 0.00 0.87 0.00 -0.61 1.08 -1.90 -3.35 117.51 113.60 1ra5 h ILE 159 Ca 0.00 -2.10 0.00 0.00 -0.39 0.00 0.00 64.86 62.37 1ra5 h ILE 159 Cb 0.00 2.08 0.00 0.00 -3.07 0.00 0.00 36.82 35.83 1ra5 h ILE 159 CO 0.00 0.29 -0.86 0.18 -0.69 0.00 0.00 178.15 177.07 1ra5 n LEU 160 N -4.45 0.66 -1.16 1.44 4.77 -1.26 -3.22 117.00 113.78 1ra5 n LEU 160 Ca -0.30 0.13 0.12 0.00 -0.03 0.00 0.00 56.01 55.93 1ra5 n LEU 160 Cb 0.65 -0.13 0.26 0.00 -2.33 0.00 0.00 43.42 41.86 1ra5 n LEU 160 CO 0.18 -0.03 0.73 -1.20 -1.33 0.00 0.00 177.39 175.75 1ra5 n SER 161 N -2.11 3.43 -4.15 -1.43 7.64 -1.26 -4.90 113.62 110.84 1ra5 n SER 161 Ca 0.02 -1.98 -0.23 0.00 1.01 0.00 0.00 58.87 57.69 1ra5 n SER 161 Cb 0.45 -0.31 -0.15 0.00 -1.01 0.00 0.00 64.21 63.19 1ra5 n SER 161 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1ra5 s TYR 162 N -1.38 1.40 0.05 1.43 6.14 -1.26 -4.90 117.35 118.84 1ra5 s TYR 162 Ca 0.41 -0.29 -0.33 0.00 0.64 0.00 0.00 57.07 57.50 1ra5 s TYR 162 Cb 0.23 -0.88 -0.12 0.00 0.42 0.00 0.00 41.96 41.60 1ra5 s TYR 162 CO 0.31 -0.00 1.77 -2.30 0.64 0.00 0.00 175.55 175.97 1ra5 n PRO 163 N 2.48 2.32 -1.98 4.97 -0.02 -1.26 -1.38 135.00 140.13 1ra5 n PRO 163 Ca -0.15 0.85 -0.21 0.00 -2.02 0.00 0.00 63.50 61.97 1ra5 n PRO 163 Cb 0.55 -2.68 -0.05 0.00 -0.02 0.00 0.00 33.50 31.29 1ra5 n PRO 163 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ra5 n ASN 164 N 5.37 -5.64 -0.19 2.55 3.02 -1.26 -4.89 115.26 114.22 1ra5 n ASN 164 Ca 0.20 0.26 -0.01 0.00 -0.03 0.00 0.00 54.58 55.00 1ra5 n ASN 164 Cb 0.31 -4.84 0.09 0.00 -0.61 0.00 0.00 39.78 34.73 1ra5 n ASN 164 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1ra5 h GLY 165 N 0.00 0.77 1.00 7.41 0.00 -1.32 -0.11 103.07 110.83 1ra5 h GLY 165 Ca -0.46 -0.10 -0.09 0.00 0.00 0.00 0.00 47.33 46.68 1ra5 h GLY 165 CO 0.60 -0.01 -0.09 -2.09 0.00 0.00 0.00 176.54 174.94 1ra5 h GLU 166 N 0.38 0.82 -0.67 4.80 4.81 -1.83 -1.39 114.58 121.50 1ra5 h GLU 166 Ca 0.28 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1ra5 h GLU 166 Cb 0.34 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1ra5 h GLU 166 CO -0.29 0.94 0.35 0.00 -0.73 0.00 0.00 179.01 179.28 1ra5 h ALA 167 N 0.86 0.87 -0.46 2.92 0.00 -1.83 -1.45 119.26 120.17 1ra5 h ALA 167 Ca 0.11 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1ra5 h ALA 167 Cb 0.63 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1ra5 h ALA 167 CO 0.04 0.40 -0.08 -0.07 0.00 0.00 0.00 179.25 179.54 1ra5 h LEU 168 N 0.93 0.81 -0.40 0.00 3.38 -0.90 0.46 115.31 119.58 1ra5 h LEU 168 Ca 0.24 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1ra5 h LEU 168 Cb 0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1ra5 h LEU 168 CO -0.03 0.92 0.16 0.25 0.09 0.00 0.00 178.44 179.83 1ra5 h LEU 169 N 0.75 0.55 -0.70 1.67 5.85 -0.94 -0.73 115.31 121.77 1ra5 h LEU 169 Ca 0.13 -0.16 -0.11 0.00 0.84 0.00 0.00 57.88 58.58 1ra5 h LEU 169 Cb 0.57 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1ra5 h LEU 169 CO 0.03 0.57 -0.17 -0.08 -0.34 0.00 0.00 178.44 178.45 1ra5 h GLU 170 N 0.51 0.83 -0.80 1.25 4.81 -1.04 -2.50 114.58 117.63 1ra5 h GLU 170 Ca 0.13 -0.31 0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1ra5 h GLU 170 Cb 0.18 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 1ra5 h GLU 170 CO -0.01 0.94 0.52 1.49 -0.73 0.00 0.00 179.01 181.22 1ra5 h GLU 171 N 0.73 1.00 -0.76 1.92 4.81 -0.57 -0.09 114.58 121.63 1ra5 h GLU 171 Ca 0.11 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1ra5 h GLU 171 Cb 0.68 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 1ra5 h GLU 171 CO 0.05 0.66 0.47 0.00 -0.73 0.00 0.00 179.01 179.46 1ra5 h ALA 172 N 1.32 1.40 -0.44 2.92 0.00 -0.81 -0.63 119.26 123.01 1ra5 h ALA 172 Ca 0.31 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 1ra5 h ALA 172 Cb -0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1ra5 h ALA 172 CO -0.09 0.53 -0.29 -0.07 0.00 0.00 0.00 179.25 179.33 1ra5 h LEU 173 N 1.04 1.02 -1.78 0.00 3.38 -0.89 -1.78 115.31 116.30 1ra5 h LEU 173 Ca 0.27 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1ra5 h LEU 173 Cb -0.07 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.39 1ra5 h LEU 173 CO -0.05 1.23 -0.16 0.03 0.09 0.00 0.00 178.44 179.57 1ra5 h ARG 174 N 0.82 0.00 -0.00 1.13 3.08 -0.25 -0.95 114.38 118.22 1ra5 h ARG 174 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1ra5 h ARG 174 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.93 1ra5 h ARG 174 CO 0.08 0.16 -0.09 1.28 -1.07 0.00 0.00 179.97 180.33 1ra5 n LEU 175 N -3.92 0.10 0.00 3.04 4.77 -0.32 -4.93 117.00 115.74 1ra5 n LEU 175 Ca -0.02 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1ra5 n LEU 175 Cb 0.25 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1ra5 n LEU 175 CO 0.33 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1ra5 n GLY 176 N 1.49 1.26 3.78 -0.72 0.00 -0.36 -5.08 105.19 105.55 1ra5 n GLY 176 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1ra5 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ra5 s ALA 177 N -2.00 3.49 -0.22 4.61 0.00 -0.70 -4.90 121.76 122.04 1ra5 s ALA 177 Ca 0.00 1.54 0.18 0.00 0.00 0.00 0.00 51.96 53.68 1ra5 s ALA 177 Cb 0.00 -3.60 0.08 0.00 0.00 0.00 0.00 23.12 19.60 1ra5 s ALA 177 CO 0.00 -1.09 1.33 -0.44 0.00 0.00 0.00 175.76 175.57 1ra5 h ASP 178 N 2.83 0.00 -4.12 0.00 3.32 -1.36 -3.44 116.42 113.66 1ra5 h ASP 178 Ca -0.51 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.23 1ra5 h ASP 178 Cb 1.25 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.53 1ra5 h ASP 178 CO 0.63 0.35 -0.75 -0.69 -1.72 0.00 0.00 179.24 177.06 1ra5 s VAL 179 N -3.05 0.45 -0.18 -1.35 1.01 -0.67 -2.38 120.40 114.23 1ra5 s VAL 179 Ca 0.03 -0.44 -0.15 0.00 0.00 0.00 0.00 61.98 61.42 1ra5 s VAL 179 Cb 0.07 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1ra5 s VAL 179 CO 0.74 -0.00 0.36 -0.69 0.00 0.00 0.00 175.10 175.51 1ra5 s VAL 180 N -0.43 5.24 0.47 2.92 1.01 0.31 -0.72 120.40 129.21 1ra5 s VAL 180 Ca -0.01 0.66 0.08 0.00 0.00 0.00 0.00 61.98 62.70 1ra5 s VAL 180 Cb -0.04 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.66 1ra5 s VAL 180 CO -0.00 0.31 0.47 -0.83 0.00 0.00 0.00 175.10 175.05 1ra5 s GLY 181 N 0.81 2.11 0.18 4.51 0.00 -0.10 -1.31 107.32 113.53 1ra5 s GLY 181 Ca 0.18 -1.76 -0.24 0.00 0.00 0.00 0.00 44.72 42.90 1ra5 s GLY 181 CO 0.07 -1.73 0.87 0.00 0.00 0.00 0.00 173.10 172.31 1ra5 s ALA 182 N -2.57 -1.54 -0.45 3.20 0.00 -1.25 -4.58 121.76 114.57 1ra5 s ALA 182 Ca 0.48 0.06 0.07 0.00 0.00 0.00 0.00 51.96 52.57 1ra5 s ALA 182 Cb -0.04 0.70 0.26 0.00 0.00 0.00 0.00 23.12 24.04 1ra5 s ALA 182 CO 0.29 -1.01 0.83 1.51 0.00 0.00 0.00 175.76 177.37 1ra5 n ILE 183 N -0.45 -0.17 -0.32 0.00 3.06 -1.26 -0.99 119.36 119.23 1ra5 n ILE 183 Ca -0.06 -2.29 0.13 0.00 -2.50 0.00 0.00 62.75 58.04 1ra5 n ILE 183 Cb 0.60 0.58 0.36 0.00 0.54 0.00 0.00 39.64 41.72 1ra5 n ILE 183 CO 0.00 0.00 0.00 1.55 -2.50 0.00 0.00 176.55 175.60 1ra5 h PRO 184 N 3.77 0.70 0.00 9.51 0.13 -1.86 -0.93 132.00 143.32 1ra5 h PRO 184 Ca -0.07 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1ra5 h PRO 184 Cb 1.00 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1ra5 h PRO 184 CO 0.34 0.46 0.00 -2.39 -0.23 0.00 0.00 178.00 176.18 1ra5 n HIS 185 N -4.66 0.27 0.94 1.56 1.44 -1.26 -2.18 115.22 111.32 1ra5 n HIS 185 Ca 0.21 0.10 0.11 0.00 -2.01 0.00 0.00 57.72 56.13 1ra5 n HIS 185 Cb 0.56 -0.67 -0.03 0.00 0.12 0.00 0.00 29.99 29.97 1ra5 n HIS 185 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1ra5 n PHE 186 N -1.74 0.02 -1.50 -1.40 7.35 -0.36 -4.94 117.46 114.88 1ra5 n PHE 186 Ca 0.03 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.39 1ra5 n PHE 186 Cb 0.19 -0.10 0.08 0.00 0.35 0.00 0.00 39.48 40.00 1ra5 n PHE 186 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1ra5 s GLU 187 N -3.03 2.30 0.40 -4.13 0.41 -0.93 -4.87 118.70 108.86 1ra5 s GLU 187 Ca 0.08 1.63 0.10 0.00 -0.41 0.00 0.00 54.97 56.37 1ra5 s GLU 187 Cb 0.16 -1.87 0.90 0.00 -1.78 0.00 0.00 34.13 31.55 1ra5 s GLU 187 CO 0.83 -1.68 1.98 0.74 -0.49 0.00 0.00 175.26 176.64 1ra5 h PHE 188 N -0.26 0.57 -4.07 1.61 0.04 -1.92 -3.44 116.94 109.46 1ra5 h PHE 188 Ca -0.47 0.01 -0.18 0.00 2.80 0.00 0.00 57.97 60.13 1ra5 h PHE 188 Cb 1.28 -0.19 -0.15 0.00 2.20 0.00 0.00 35.95 39.09 1ra5 h PHE 188 CO 0.50 0.29 -0.68 0.95 -0.60 0.00 0.00 178.31 178.77 1ra5 s THR 189 N -5.51 0.41 0.28 -1.55 -4.23 -1.26 -5.03 115.64 98.75 1ra5 s THR 189 Ca -0.08 -1.89 -0.03 0.00 -1.18 0.00 0.00 61.69 58.51 1ra5 s THR 189 Cb 0.19 -1.73 0.27 0.00 1.34 0.00 0.00 72.50 72.57 1ra5 s THR 189 CO 0.75 -0.81 1.93 -0.09 -0.54 0.00 0.00 174.62 175.87 1ra5 h ARG 190 N 2.99 1.15 -0.53 3.99 2.43 -1.91 -0.40 114.38 122.09 1ra5 h ARG 190 Ca -0.35 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 58.71 1ra5 h ARG 190 Cb 1.17 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 1ra5 h ARG 190 CO 0.64 0.76 0.17 0.93 -1.51 0.00 0.00 179.97 180.96 1ra5 h GLU 191 N 1.18 0.82 -0.64 0.20 3.07 -1.97 -0.87 114.58 116.37 1ra5 h GLU 191 Ca 0.37 -0.17 -0.04 0.00 -0.50 0.00 0.00 59.36 59.02 1ra5 h GLU 191 Cb -0.01 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 27.75 1ra5 h GLU 191 CO -0.11 0.75 0.25 1.88 -1.40 0.00 0.00 179.01 180.39 1ra5 h TYR 192 N 0.73 0.95 -0.12 4.33 -1.99 -1.78 -0.71 116.97 118.38 1ra5 h TYR 192 Ca 0.17 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.85 1ra5 h TYR 192 Cb 0.27 -0.29 -0.01 0.00 2.00 0.00 0.00 36.73 38.70 1ra5 h TYR 192 CO 0.01 0.73 0.08 0.78 -0.00 0.00 0.00 178.16 179.76 1ra5 h GLY 193 N 1.02 0.17 0.89 3.88 0.00 -0.38 0.15 103.07 108.79 1ra5 h GLY 193 Ca 0.22 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 1ra5 h GLY 193 CO -0.02 0.06 0.06 -2.08 0.00 0.00 0.00 176.54 174.56 1ra5 h VAL 194 N 0.15 1.23 -0.89 4.60 2.07 -0.97 -2.85 116.25 119.59 1ra5 h VAL 194 Ca 0.04 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.79 1ra5 h VAL 194 Cb -0.01 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1ra5 h VAL 194 CO -0.01 0.26 0.59 -0.08 0.02 0.00 0.00 177.57 178.35 1ra5 h GLU 195 N 0.32 1.17 -0.30 1.57 4.81 -1.00 -1.59 114.58 119.56 1ra5 h GLU 195 Ca 0.09 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1ra5 h GLU 195 Cb 0.33 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1ra5 h GLU 195 CO 0.00 0.78 0.18 0.66 -0.73 0.00 0.00 179.01 179.91 1ra5 h SER 196 N 1.21 0.34 -0.13 1.04 4.64 -0.49 -1.55 113.55 118.61 1ra5 h SER 196 Ca 0.33 -0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.44 1ra5 h SER 196 Cb -0.14 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 61.86 1ra5 h SER 196 CO -0.07 0.26 -0.65 -0.07 -0.87 0.00 0.00 176.83 175.43 1ra5 h LEU 197 N 0.40 0.86 -0.80 5.97 3.38 -1.08 -0.51 115.31 123.53 1ra5 h LEU 197 Ca 0.11 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1ra5 h LEU 197 Cb -0.03 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 1ra5 h LEU 197 CO -0.02 1.29 0.51 0.45 0.09 0.00 0.00 178.44 180.75 1ra5 h HIS 198 N 0.55 1.04 -0.49 1.13 3.86 -1.05 -0.98 115.15 119.20 1ra5 h HIS 198 Ca -0.01 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.11 1ra5 h HIS 198 Cb 1.25 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 29.35 1ra5 h HIS 198 CO 0.07 0.68 -0.07 0.87 0.86 0.00 0.00 177.93 180.34 1ra5 h LYS 199 N 1.10 0.88 -0.19 2.45 1.57 -1.09 -1.30 116.57 119.98 1ra5 h LYS 199 Ca 0.29 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1ra5 h LYS 199 Cb -0.08 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1ra5 h LYS 199 CO -0.06 0.92 0.08 1.15 -0.57 0.00 0.00 179.45 180.97 1ra5 h THR 200 N 0.80 1.14 -0.68 -0.16 2.02 -0.68 -1.25 112.91 114.10 1ra5 h THR 200 Ca 0.14 -0.42 -0.08 0.00 0.77 0.00 0.00 66.41 66.82 1ra5 h THR 200 Cb 0.57 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1ra5 h THR 200 CO 0.03 0.14 0.13 -0.26 0.37 0.00 0.00 175.52 175.93 1ra5 h PHE 201 N 0.16 1.17 -0.72 3.16 0.04 -1.06 -1.19 116.94 118.50 1ra5 h PHE 201 Ca 0.06 -0.15 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 1ra5 h PHE 201 Cb 0.14 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 37.93 1ra5 h PHE 201 CO -0.02 0.97 0.39 0.00 -0.60 0.00 0.00 178.31 179.04 1ra5 h ALA 202 N 1.09 0.92 -0.63 2.45 0.00 -1.06 -1.23 119.26 120.81 1ra5 h ALA 202 Ca 0.21 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1ra5 h ALA 202 Cb 0.41 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1ra5 h ALA 202 CO 0.01 0.44 0.09 -0.07 0.00 0.00 0.00 179.25 179.72 1ra5 h LEU 203 N 0.99 1.00 -1.14 0.00 3.38 -0.91 -0.55 115.31 118.08 1ra5 h LEU 203 Ca 0.25 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1ra5 h LEU 203 Cb 0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1ra5 h LEU 203 CO -0.04 1.01 0.03 0.00 0.09 0.00 0.00 178.44 179.54 1ra5 h ALA 204 N 1.03 1.30 0.02 1.53 0.00 -0.82 -1.47 119.26 120.85 1ra5 h ALA 204 Ca 0.19 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 1ra5 h ALA 204 Cb 0.44 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ra5 h ALA 204 CO 0.01 0.48 -0.97 1.96 0.00 0.00 0.00 179.25 180.73 1ra5 h GLN 205 N 0.60 0.37 -0.69 0.00 1.08 -1.01 0.16 115.11 115.62 1ra5 h GLN 205 Ca 0.13 -0.43 -0.07 0.00 -1.45 0.00 0.00 58.65 56.84 1ra5 h GLN 205 Cb 0.33 0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.86 1ra5 h GLN 205 CO 0.01 1.11 0.17 -0.22 -0.95 0.00 0.00 178.83 178.94 1ra5 h LYS 206 N 0.20 1.10 -0.03 1.46 3.64 -0.76 -3.21 116.57 118.97 1ra5 h LYS 206 Ca -0.08 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1ra5 h LYS 206 Cb 1.62 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 1ra5 h LYS 206 CO 0.17 0.97 0.00 0.66 -2.27 0.00 0.00 179.45 178.98 1ra5 n TYR 207 N -4.23 0.00 -3.45 1.91 4.02 -0.58 -5.00 117.16 109.82 1ra5 n TYR 207 Ca 0.05 -0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.71 1ra5 n TYR 207 Cb 0.26 -0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.63 1ra5 n TYR 207 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1ra5 n ASP 208 N 1.10 -6.07 -4.52 7.72 4.64 -0.09 -5.03 116.55 114.31 1ra5 n ASP 208 Ca 0.11 -0.83 -0.25 0.00 -1.38 0.00 0.00 54.79 52.45 1ra5 n ASP 208 Cb 0.49 -4.31 -0.11 0.00 -1.04 0.00 0.00 41.12 36.16 1ra5 n ASP 208 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1ra5 s ARG 209 N -5.09 1.76 0.78 -0.67 1.81 -0.41 -5.04 118.95 112.09 1ra5 s ARG 209 Ca 0.44 -1.94 -0.09 0.00 -1.72 0.00 0.00 55.73 52.42 1ra5 s ARG 209 Cb -0.11 -1.44 0.09 0.00 -0.45 0.00 0.00 34.95 33.05 1ra5 s ARG 209 CO 0.80 0.02 1.11 -0.51 -0.68 0.00 0.00 175.30 176.04 1ra5 s LEU 210 N -3.58 2.71 -0.03 2.53 1.43 -1.00 -4.74 118.68 116.00 1ra5 s LEU 210 Ca 0.33 0.49 0.03 0.00 -1.03 0.00 0.00 54.13 53.95 1ra5 s LEU 210 Cb 0.06 -2.98 -0.00 0.00 0.03 0.00 0.00 46.19 43.29 1ra5 s LEU 210 CO 0.16 -1.88 -0.13 -0.63 0.23 0.00 0.00 176.35 174.10 1ra5 s ILE 211 N -3.44 1.04 -0.25 -0.59 -1.09 -0.09 -0.53 121.20 116.25 1ra5 s ILE 211 Ca 0.63 -0.52 -0.02 0.00 -2.23 0.00 0.00 60.65 58.51 1ra5 s ILE 211 Cb -0.10 -0.90 0.12 0.00 -1.58 0.00 0.00 42.46 40.00 1ra5 s ILE 211 CO 0.47 0.31 0.26 -0.62 -1.23 0.00 0.00 174.94 174.13 1ra5 s ASP 212 N 0.02 1.63 -0.14 3.58 3.68 -0.42 -0.73 116.67 124.28 1ra5 s ASP 212 Ca -0.01 -0.53 -0.14 0.00 2.13 0.00 0.00 52.55 54.00 1ra5 s ASP 212 Cb -0.09 0.42 -0.05 0.00 -1.45 0.00 0.00 42.92 41.76 1ra5 s ASP 212 CO 0.01 -0.36 0.31 -0.69 0.13 0.00 0.00 175.17 174.56 1ra5 s VAL 213 N 2.34 5.28 -0.63 1.11 1.01 -0.50 -3.93 120.40 125.08 1ra5 s VAL 213 Ca 0.09 0.59 -0.27 0.00 0.00 0.00 0.00 61.98 62.38 1ra5 s VAL 213 Cb -0.15 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.60 1ra5 s VAL 213 CO -0.24 0.41 1.40 -1.00 0.00 0.00 0.00 175.10 175.68 1ra5 s HIS 214 N 0.26 2.24 -0.25 5.22 3.76 -0.16 -0.08 115.29 126.28 1ra5 s HIS 214 Ca 0.18 0.33 -0.02 0.00 -0.15 0.00 0.00 55.06 55.40 1ra5 s HIS 214 Cb -0.13 -4.45 0.02 0.00 1.11 0.00 0.00 32.58 29.13 1ra5 s HIS 214 CO 0.05 -2.01 -0.05 0.00 -0.85 0.00 0.00 174.74 171.88 1ra5 n ASP 216 N 4.71 -2.88 -4.14 0.00 10.43 -1.26 -0.83 116.55 122.58 1ra5 n ASP 216 Ca -0.17 -0.75 -0.43 0.00 2.57 0.00 0.00 54.79 56.01 1ra5 n ASP 216 Cb 0.48 -4.26 0.00 0.00 1.84 0.00 0.00 41.12 39.18 1ra5 n ASP 216 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 1ra5 n GLU 217 N -4.45 3.40 -3.62 -1.24 2.13 -1.26 -1.44 120.64 114.16 1ra5 n GLU 217 Ca -0.17 -3.51 -0.10 0.00 0.66 0.00 0.00 57.16 54.04 1ra5 n GLU 217 Cb 0.62 -3.07 -0.06 0.00 0.27 0.00 0.00 31.44 29.20 1ra5 n GLU 217 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 1ra5 s ILE 218 N 1.53 0.00 -1.51 6.31 1.10 -1.26 -4.98 121.20 122.38 1ra5 s ILE 218 Ca 0.43 0.00 -0.08 0.00 -0.51 0.00 0.00 60.65 60.49 1ra5 s ILE 218 Cb 0.05 -1.00 -0.01 0.00 0.15 0.00 0.00 42.46 41.65 1ra5 s ILE 218 CO 0.00 0.00 2.74 0.47 -2.11 0.00 0.00 174.94 176.04 1ra5 n ASP 219 N 1.70 8.40 -4.00 4.50 10.43 -1.26 -2.83 116.55 133.48 1ra5 n ASP 219 Ca -0.12 -2.79 -0.31 0.00 2.57 0.00 0.00 54.79 54.15 1ra5 n ASP 219 Cb 0.57 -1.49 -0.15 0.00 1.84 0.00 0.00 41.12 41.88 1ra5 n ASP 219 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1ra5 s ASP 220 N 1.53 3.93 0.19 -2.24 3.68 -1.26 -4.99 116.67 117.51 1ra5 s ASP 220 Ca 0.64 -1.17 0.16 0.00 2.13 0.00 0.00 52.55 54.30 1ra5 s ASP 220 Cb 0.18 -1.32 0.78 0.00 -1.45 0.00 0.00 42.92 41.11 1ra5 s ASP 220 CO -0.07 -0.20 1.48 -1.84 0.13 0.00 0.00 175.17 174.67 1ra5 n GLU 221 N 4.60 0.10 -0.00 4.34 0.00 -1.26 -1.24 120.64 127.17 1ra5 n GLU 221 Ca -0.13 0.52 0.13 0.00 0.00 0.00 0.00 57.16 57.68 1ra5 n GLU 221 Cb 0.44 -1.78 0.25 0.00 0.00 0.00 0.00 31.44 30.35 1ra5 n GLU 221 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1ra5 n GLN 222 N -1.98 2.10 -2.79 3.44 6.02 -1.26 -4.79 117.38 118.12 1ra5 n GLN 222 Ca 0.00 -1.60 -0.43 0.00 -0.01 0.00 0.00 57.00 54.97 1ra5 n GLN 222 Cb 0.07 -1.47 -0.04 0.00 1.02 0.00 0.00 30.24 29.83 1ra5 n GLN 222 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ra5 s SER 223 N -1.99 6.21 -0.25 1.08 0.15 -0.37 -4.84 113.70 113.69 1ra5 s SER 223 Ca 0.32 -0.74 0.11 0.00 0.70 0.00 0.00 55.95 56.34 1ra5 s SER 223 Cb 0.20 -2.45 0.46 0.00 -1.71 0.00 0.00 66.02 62.52 1ra5 s SER 223 CO 0.31 -1.48 1.18 0.54 1.20 0.00 0.00 173.24 174.99 1ra5 n ARG 224 N 8.02 2.64 0.27 5.44 1.74 -1.26 -4.79 116.66 128.72 1ra5 n ARG 224 Ca -0.01 -3.73 0.14 0.00 -0.77 0.00 0.00 57.85 53.48 1ra5 n ARG 224 Cb 0.47 -1.89 0.76 0.00 -1.02 0.00 0.00 32.46 30.79 1ra5 n ARG 224 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1ra5 h PHE 225 N 1.88 0.00 -0.74 -1.55 -1.00 -1.96 -2.69 116.94 110.88 1ra5 h PHE 225 Ca 0.17 0.00 0.14 0.00 2.81 0.00 0.00 57.97 61.09 1ra5 h PHE 225 Cb 1.39 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.90 1ra5 h PHE 225 CO 0.74 0.09 0.50 -0.24 -1.61 0.00 0.00 178.31 177.79 1ra5 h VAL 226 N 0.00 0.81 -0.09 -0.55 3.04 -1.91 -0.62 116.25 116.93 1ra5 h VAL 226 Ca -0.00 -0.15 -0.08 0.00 -1.01 0.00 0.00 66.70 65.46 1ra5 h VAL 226 Cb 0.34 0.34 -0.01 0.00 -2.01 0.00 0.00 31.29 29.95 1ra5 h VAL 226 CO 0.01 0.08 -0.31 1.05 -1.01 0.00 0.00 177.57 177.39 1ra5 h GLU 227 N 0.44 0.17 -0.16 4.17 4.11 -1.89 -1.05 114.58 120.37 1ra5 h GLU 227 Ca 0.36 -0.06 -0.20 0.00 0.07 0.00 0.00 59.36 59.53 1ra5 h GLU 227 Cb 0.79 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.04 1ra5 h GLU 227 CO -0.12 0.47 -0.67 1.15 0.07 0.00 0.00 179.01 179.91 1ra5 h THR 228 N 0.15 1.30 -0.25 -1.06 2.02 -1.30 -0.50 112.91 113.26 1ra5 h THR 228 Ca 0.02 -1.89 0.03 0.00 0.77 0.00 0.00 66.41 65.33 1ra5 h THR 228 Cb 0.63 1.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.99 1ra5 h THR 228 CO 0.05 0.60 0.09 0.58 0.37 0.00 0.00 175.52 177.20 1ra5 h VAL 229 N 0.46 0.94 -0.48 3.16 2.07 -1.04 -0.26 116.25 121.10 1ra5 h VAL 229 Ca -0.04 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.32 1ra5 h VAL 229 Cb 1.30 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1ra5 h VAL 229 CO 0.14 0.04 -0.07 0.00 0.02 0.00 0.00 177.57 177.70 1ra5 h ALA 230 N 1.16 0.66 -0.54 1.67 0.00 -1.19 -2.08 119.26 118.93 1ra5 h ALA 230 Ca 0.11 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1ra5 h ALA 230 Cb 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1ra5 h ALA 230 CO -0.11 0.52 0.03 0.00 0.00 0.00 0.00 179.25 179.69 1ra5 h ALA 231 N 0.90 0.72 -0.47 0.00 0.00 -0.85 -0.41 119.26 119.14 1ra5 h ALA 231 Ca 0.13 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1ra5 h ALA 231 Cb 0.60 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1ra5 h ALA 231 CO 0.04 0.52 -0.11 -0.07 0.00 0.00 0.00 179.25 179.63 1ra5 h LEU 232 N 0.81 0.86 -0.58 0.00 3.38 -1.03 -0.62 115.31 118.13 1ra5 h LEU 232 Ca 0.16 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1ra5 h LEU 232 Cb 0.49 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1ra5 h LEU 232 CO 0.02 0.99 0.11 0.00 0.09 0.00 0.00 178.44 179.65 1ra5 h ALA 233 N 1.09 0.77 -0.56 1.53 0.00 -1.13 -1.73 119.26 119.22 1ra5 h ALA 233 Ca 0.13 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1ra5 h ALA 233 Cb 0.62 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1ra5 h ALA 233 CO 0.04 0.51 0.11 1.25 0.00 0.00 0.00 179.25 181.17 1ra5 h HIS 234 N 0.86 0.97 -0.80 0.00 -0.00 -0.78 -0.58 115.15 114.82 1ra5 h HIS 234 Ca 0.18 -0.13 -0.02 0.00 -0.00 0.00 0.00 60.37 60.41 1ra5 h HIS 234 Cb 0.40 -0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 27.50 1ra5 h HIS 234 CO 0.03 0.85 0.43 1.25 -0.00 0.00 0.00 177.93 180.49 1ra5 h HIS 235 N 0.82 1.10 -0.01 5.26 6.17 -0.90 -2.38 115.15 125.21 1ra5 h HIS 235 Ca 0.17 -0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.23 1ra5 h HIS 235 Cb 0.38 -0.35 0.00 0.00 2.52 0.00 0.00 27.41 29.96 1ra5 h HIS 235 CO 0.03 0.77 -0.05 0.39 0.71 0.00 0.00 177.93 179.78 1ra5 n GLU 236 N -4.41 1.18 -3.65 5.26 -0.58 -0.67 -4.94 120.64 112.83 1ra5 n GLU 236 Ca 0.08 -0.50 -0.22 0.00 -0.42 0.00 0.00 57.16 56.09 1ra5 n GLU 236 Cb 0.10 -1.49 0.05 0.00 -0.57 0.00 0.00 31.44 29.53 1ra5 n GLU 236 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ra5 n GLY 237 N 1.18 -0.38 0.77 0.62 0.00 -0.34 -4.92 105.19 102.11 1ra5 n GLY 237 Ca 0.18 0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.40 1ra5 n GLY 237 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ra5 n MET 238 N -4.41 0.53 -0.35 1.61 0.00 -0.51 -4.90 117.12 109.08 1ra5 n MET 238 Ca -0.19 -2.05 0.17 0.00 0.00 0.00 0.00 57.70 55.63 1ra5 n MET 238 Cb 0.63 -0.73 0.37 0.00 0.00 0.00 0.00 33.22 33.50 1ra5 n MET 238 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1ra5 h GLY 239 N 0.52 1.89 1.85 3.17 0.00 -1.67 -0.38 103.07 108.45 1ra5 h GLY 239 Ca -0.08 -0.32 0.01 0.00 0.00 0.00 0.00 47.33 46.95 1ra5 h GLY 239 CO 0.03 -0.21 0.06 0.00 0.00 0.00 0.00 176.54 176.42 1ra5 h ALA 240 N 1.71 1.53 -0.18 3.60 0.00 -1.82 -1.32 119.26 122.79 1ra5 h ALA 240 Ca 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.54 1ra5 h ALA 240 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ra5 h ALA 240 CO -0.46 -0.09 0.00 0.54 0.00 0.00 0.00 179.25 179.25 1ra5 n ARG 241 N -3.73 2.08 -5.22 0.00 1.74 -0.15 -4.64 116.66 106.74 1ra5 n ARG 241 Ca -0.02 -1.60 -0.31 0.00 -0.77 0.00 0.00 57.85 55.15 1ra5 n ARG 241 Cb 0.15 -1.46 -0.15 0.00 -1.02 0.00 0.00 32.46 29.98 1ra5 n ARG 241 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ra5 s VAL 242 N -1.78 2.27 -0.01 1.55 1.01 -0.50 -0.91 120.40 122.04 1ra5 s VAL 242 Ca 0.34 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1ra5 s VAL 242 Cb 0.20 -1.81 -0.00 0.00 0.00 0.00 0.00 36.38 34.77 1ra5 s VAL 242 CO 0.30 0.58 -0.06 -0.89 0.00 0.00 0.00 175.10 175.03 1ra5 s THR 243 N -0.64 0.52 -0.34 3.92 2.01 0.09 -1.14 115.64 120.07 1ra5 s THR 243 Ca 0.10 -0.26 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 1ra5 s THR 243 Cb -0.10 -0.45 0.05 0.00 0.01 0.00 0.00 72.50 72.01 1ra5 s THR 243 CO -0.01 0.16 0.09 0.00 -0.69 0.00 0.00 174.62 174.17 1ra5 s ALA 244 N -0.02 2.99 0.24 7.40 0.00 0.48 -1.41 121.76 131.44 1ra5 s ALA 244 Ca 0.01 -1.86 -0.18 0.00 0.00 0.00 0.00 51.96 49.92 1ra5 s ALA 244 Cb -0.04 -2.19 -0.08 0.00 0.00 0.00 0.00 23.12 20.81 1ra5 s ALA 244 CO -0.00 -1.38 0.72 -1.12 0.00 0.00 0.00 175.76 173.97 1ra5 s SER 245 N 1.44 6.98 0.00 0.00 0.01 0.89 -2.25 113.70 120.77 1ra5 s SER 245 Ca -0.02 1.36 0.00 0.00 1.31 0.00 0.00 55.95 58.61 1ra5 s SER 245 Cb -0.20 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1ra5 s SER 245 CO 0.01 -0.02 0.00 1.41 0.41 0.00 0.00 173.24 175.05 1ra5 n HIS 246 N 0.48 0.00 -4.47 2.43 8.25 0.67 -0.92 115.22 121.66 1ra5 n HIS 246 Ca -0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.05 1ra5 n HIS 246 Cb 0.52 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.54 1ra5 n HIS 246 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1ra5 n THR 247 N 0.00 -0.35 0.25 1.59 -2.24 -0.01 -4.23 114.28 109.31 1ra5 n THR 247 Ca 0.00 -0.13 0.13 0.00 -2.27 0.00 0.00 64.05 61.77 1ra5 n THR 247 Cb 0.00 -0.72 0.66 0.00 -2.10 0.00 0.00 70.33 68.17 1ra5 n THR 247 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1ra5 h THR 248 N -1.15 0.48 0.00 4.28 1.35 -1.63 -1.82 112.91 114.42 1ra5 h THR 248 Ca -0.62 -0.71 -0.01 0.00 -0.55 0.00 0.00 66.41 64.53 1ra5 h THR 248 Cb 1.39 1.49 -0.00 0.00 -1.73 0.00 0.00 68.15 69.30 1ra5 h THR 248 CO 0.84 0.14 -0.03 0.00 -0.25 0.00 0.00 175.52 176.22 1ra5 h ALA 249 N 1.86 1.74 -0.04 6.62 0.00 -1.09 -1.14 119.26 127.21 1ra5 h ALA 249 Ca -0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ra5 h ALA 249 Cb 0.48 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ra5 h ALA 249 CO 0.02 0.03 0.04 1.98 0.00 0.00 0.00 179.25 181.32 1ra5 h MET 250 N 0.00 0.00 0.00 0.00 -1.53 -1.61 0.94 114.93 112.73 1ra5 h MET 250 Ca -0.00 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.25 1ra5 h MET 250 Cb 0.05 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.10 1ra5 h MET 250 CO 0.00 0.00 -0.03 1.25 0.14 0.00 0.00 176.91 178.28 1ra5 h HIS 251 N 0.00 0.00 -0.09 1.39 2.76 -1.38 -2.86 115.15 114.98 1ra5 h HIS 251 Ca 0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1ra5 h HIS 251 Cb 0.10 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.06 1ra5 h HIS 251 CO 0.00 0.03 0.00 0.43 -1.30 0.00 0.00 177.93 177.09 1ra5 n SER 252 N -3.38 2.42 -4.79 3.26 7.64 0.31 -4.96 113.62 114.12 1ra5 n SER 252 Ca -0.02 -1.69 -0.33 0.00 1.01 0.00 0.00 58.87 57.84 1ra5 n SER 252 Cb 0.14 -0.05 0.01 0.00 -1.01 0.00 0.00 64.21 63.30 1ra5 n SER 252 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1ra5 s TYR 253 N -1.22 2.86 0.69 1.43 2.02 -1.08 -4.68 117.35 117.36 1ra5 s TYR 253 Ca 0.20 1.54 -0.13 0.00 -0.37 0.00 0.00 57.07 58.30 1ra5 s TYR 253 Cb 0.13 -3.10 0.01 0.00 -0.40 0.00 0.00 41.96 38.60 1ra5 s TYR 253 CO 0.19 -1.26 1.09 0.54 -1.57 0.00 0.00 175.55 174.54 1ra5 s ASN 254 N -2.43 5.08 0.32 2.29 2.20 -1.26 -4.92 114.94 116.22 1ra5 s ASN 254 Ca 0.66 1.86 0.10 0.00 -0.94 0.00 0.00 52.86 54.55 1ra5 s ASN 254 Cb -0.18 -2.53 0.54 0.00 -2.00 0.00 0.00 41.25 37.08 1ra5 s ASN 254 CO 0.33 -1.65 1.73 1.23 -2.94 0.00 0.00 177.10 175.81 1ra5 h GLY 255 N -0.35 0.09 0.76 0.45 0.00 -1.98 -2.60 103.07 99.43 1ra5 h GLY 255 Ca -0.45 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 1ra5 h GLY 255 CO 0.54 0.08 -0.01 0.00 0.00 0.00 0.00 176.54 177.14 1ra5 h ALA 256 N 1.48 0.18 -0.55 3.60 0.00 -2.00 -0.79 119.26 121.19 1ra5 h ALA 256 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1ra5 h ALA 256 Cb 0.82 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1ra5 h ALA 256 CO 0.06 -0.10 0.24 -0.92 0.00 0.00 0.00 179.25 178.53 1ra5 h TYR 257 N -0.04 0.83 -0.88 0.00 3.20 -1.96 -2.10 116.97 116.03 1ra5 h TYR 257 Ca 0.04 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 61.89 1ra5 h TYR 257 Cb 0.40 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 38.37 1ra5 h TYR 257 CO 0.04 0.66 0.56 1.15 -1.64 0.00 0.00 178.16 178.93 1ra5 h THR 258 N 0.75 1.12 -0.56 1.81 2.02 -1.31 0.82 112.91 117.56 1ra5 h THR 258 Ca 0.19 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1ra5 h THR 258 Cb 0.17 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.51 1ra5 h THR 258 CO -0.02 0.20 0.27 -1.28 0.37 0.00 0.00 175.52 175.06 1ra5 h SER 259 N 1.07 0.73 -0.22 4.18 0.87 -0.86 0.08 113.55 119.40 1ra5 h SER 259 Ca 0.36 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 1ra5 h SER 259 Cb 0.05 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 1ra5 h SER 259 CO -0.13 0.65 0.11 -0.09 -0.53 0.00 0.00 176.83 176.84 1ra5 h ARG 260 N 0.76 0.31 -0.83 2.24 1.12 -0.70 -2.95 114.38 114.34 1ra5 h ARG 260 Ca 0.19 -0.04 0.04 0.00 -1.11 0.00 0.00 59.98 59.06 1ra5 h ARG 260 Cb 0.11 -0.06 -0.05 0.00 -0.01 0.00 0.00 29.97 29.96 1ra5 h ARG 260 CO -0.03 0.32 0.53 1.25 -3.11 0.00 0.00 179.97 178.93 1ra5 h LEU 261 N 0.23 0.85 -1.70 3.80 5.85 -0.55 -2.85 115.31 120.95 1ra5 h LEU 261 Ca 0.08 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.91 1ra5 h LEU 261 Cb 0.10 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1ra5 h LEU 261 CO -0.01 0.57 0.40 -0.26 -0.34 0.00 0.00 178.44 178.80 1ra5 h PHE 262 N 1.00 0.36 -0.28 1.25 0.05 -0.80 -0.59 116.94 117.93 1ra5 h PHE 262 Ca 0.34 0.01 0.00 0.00 3.82 0.00 0.00 57.97 62.15 1ra5 h PHE 262 Cb 0.07 -0.12 -0.01 0.00 2.00 0.00 0.00 35.95 37.89 1ra5 h PHE 262 CO -0.03 0.17 0.18 -0.09 -0.18 0.00 0.00 178.31 178.36 1ra5 h ARG 263 N 0.34 0.37 -0.59 1.51 2.43 -1.54 -1.17 114.38 115.72 1ra5 h ARG 263 Ca 0.28 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.37 1ra5 h ARG 263 Cb 0.64 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1ra5 h ARG 263 CO -0.07 0.26 0.15 1.25 -1.51 0.00 0.00 179.97 180.05 1ra5 h LEU 264 N 0.37 0.89 -0.54 3.80 5.85 -1.31 -1.24 115.31 123.13 1ra5 h LEU 264 Ca 0.10 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.62 1ra5 h LEU 264 Cb -0.02 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 1ra5 h LEU 264 CO -0.02 0.89 0.33 -0.07 -0.34 0.00 0.00 178.44 179.23 1ra5 h LEU 265 N 0.85 0.54 -0.08 2.25 3.38 -0.79 0.11 115.31 121.57 1ra5 h LEU 265 Ca 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1ra5 h LEU 265 Cb 0.34 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1ra5 h LEU 265 CO 0.00 0.38 0.01 0.50 0.09 0.00 0.00 178.44 179.42 1ra5 h LYS 266 N 0.65 0.13 -0.61 1.13 1.63 -1.08 -2.91 116.57 115.51 1ra5 h LYS 266 Ca 0.22 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 1ra5 h LYS 266 Cb 0.02 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 1ra5 h LYS 266 CO -0.09 0.36 0.39 0.52 -3.45 0.00 0.00 179.45 177.18 1ra5 h MET 267 N -0.12 0.81 0.00 1.90 2.86 -0.89 -2.66 114.93 116.82 1ra5 h MET 267 Ca 0.02 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 1ra5 h MET 267 Cb 0.30 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1ra5 h MET 267 CO 0.00 0.54 -0.43 0.66 1.06 0.00 0.00 176.91 178.75 1ra5 h SER 268 N 0.83 0.00 -0.07 1.22 4.64 -0.69 -3.47 113.55 116.01 1ra5 h SER 268 Ca 0.22 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.51 1ra5 h SER 268 Cb -0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1ra5 h SER 268 CO -0.05 0.43 -0.03 0.61 -0.87 0.00 0.00 176.83 176.92 1ra5 n GLY 269 N -0.16 0.44 3.80 -0.77 0.00 -1.01 -3.74 105.19 103.76 1ra5 n GLY 269 Ca -0.01 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1ra5 n GLY 269 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ra5 s ILE 270 N -1.77 3.39 0.16 -0.61 -4.36 -1.25 -3.92 121.20 112.84 1ra5 s ILE 270 Ca 0.00 0.45 0.03 0.00 -0.26 0.00 0.00 60.65 60.87 1ra5 s ILE 270 Cb 0.00 -3.16 -0.03 0.00 1.25 0.00 0.00 42.46 40.51 1ra5 s ILE 270 CO 0.00 -0.59 0.28 0.20 0.24 0.00 0.00 174.94 175.07 1ra5 s ASN 271 N -3.80 6.27 -0.03 4.36 0.01 -0.29 -4.48 114.94 116.98 1ra5 s ASN 271 Ca 0.60 0.14 0.04 0.00 -0.71 0.00 0.00 52.86 52.93 1ra5 s ASN 271 Cb -0.15 -1.87 -0.01 0.00 0.41 0.00 0.00 41.25 39.64 1ra5 s ASN 271 CO 0.55 0.04 -0.15 -0.36 -1.51 0.00 0.00 177.10 175.67 1ra5 s PHE 272 N -1.77 1.45 -0.12 2.20 0.08 -0.37 -0.39 117.98 119.06 1ra5 s PHE 272 Ca 0.34 -0.35 0.03 0.00 0.12 0.00 0.00 56.93 57.07 1ra5 s PHE 272 Cb -0.11 -0.97 -0.00 0.00 -0.57 0.00 0.00 43.02 41.38 1ra5 s PHE 272 CO 0.28 -0.09 -0.21 0.08 -0.10 0.00 0.00 175.22 175.18 1ra5 s VAL 273 N -0.12 2.31 0.02 -0.44 1.01 -0.95 -1.28 120.40 120.95 1ra5 s VAL 273 Ca 0.01 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1ra5 s VAL 273 Cb -0.09 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1ra5 s VAL 273 CO 0.01 0.55 -0.04 0.00 0.00 0.00 0.00 175.10 175.62 1ra5 s ALA 274 N 0.48 3.14 -0.61 5.51 0.00 0.05 -0.24 121.76 130.09 1ra5 s ALA 274 Ca -0.14 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 50.86 1ra5 s ALA 274 Cb -0.17 -1.21 0.18 0.00 0.00 0.00 0.00 23.12 21.92 1ra5 s ALA 274 CO 0.05 0.64 0.48 0.09 0.00 0.00 0.00 175.76 177.02 1ra5 n ASN 275 N 1.35 2.06 -0.25 0.00 4.13 -1.26 -0.99 115.26 120.30 1ra5 n ASN 275 Ca -0.14 -2.99 0.06 0.00 1.68 0.00 0.00 54.58 53.18 1ra5 n ASN 275 Cb 0.52 -0.69 0.18 0.00 -1.54 0.00 0.00 39.78 38.25 1ra5 n ASN 275 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 1ra5 h PRO 276 N 5.30 0.19 -0.65 3.52 0.11 -1.87 0.15 132.00 138.75 1ra5 h PRO 276 Ca 0.18 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.22 1ra5 h PRO 276 Cb 0.79 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.83 1ra5 h PRO 276 CO 0.63 0.13 0.16 -0.07 -0.21 0.00 0.00 178.00 178.63 1ra5 h LEU 277 N 0.20 0.99 0.20 2.35 3.38 -1.86 -2.30 115.31 118.27 1ra5 h LEU 277 Ca 0.43 -0.24 -0.27 0.00 0.09 0.00 0.00 57.88 57.89 1ra5 h LEU 277 Cb 0.75 -0.26 0.03 0.00 0.09 0.00 0.00 40.66 41.27 1ra5 h LEU 277 CO -0.58 0.97 -1.17 0.58 0.09 0.00 0.00 178.44 178.33 1ra5 h VAL 278 N 0.97 1.38 -0.76 1.22 2.07 -1.71 -3.27 116.25 116.15 1ra5 h VAL 278 Ca 0.20 -2.61 0.01 0.00 0.82 0.00 0.00 66.70 65.12 1ra5 h VAL 278 Cb 0.37 3.11 -0.04 0.00 -1.52 0.00 0.00 31.29 33.21 1ra5 h VAL 278 CO 0.00 0.77 0.51 0.78 0.02 0.00 0.00 177.57 179.65 1ra5 h ASN 279 N -0.11 0.88 0.46 0.57 -0.26 -0.72 0.23 115.58 116.62 1ra5 h ASN 279 Ca -0.21 -0.02 -0.05 0.00 -0.56 0.00 0.00 56.30 55.47 1ra5 h ASN 279 Cb 1.91 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 38.95 1ra5 h ASN 279 CO 0.21 0.63 -0.22 -0.29 -1.06 0.00 0.00 177.43 176.71 1ra5 h ILE 280 N 1.04 0.80 0.02 2.81 2.10 -1.54 -0.66 117.51 122.06 1ra5 h ILE 280 Ca 0.28 -0.86 -0.08 0.00 1.08 0.00 0.00 64.86 65.28 1ra5 h ILE 280 Cb -0.12 1.52 -0.00 0.00 -1.09 0.00 0.00 36.82 37.13 1ra5 h ILE 280 CO -0.06 0.21 -0.40 -0.74 -1.08 0.00 0.00 178.15 176.08 1ra5 h HIS 281 N 0.00 0.07 0.00 2.19 2.76 -1.36 -3.39 115.15 115.42 1ra5 h HIS 281 Ca -0.00 -0.05 -0.09 0.00 -2.20 0.00 0.00 60.37 58.02 1ra5 h HIS 281 Cb 0.50 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 1ra5 h HIS 281 CO 0.00 1.15 -0.74 -0.07 -1.30 0.00 0.00 177.93 176.97 1ra5 h LEU 282 N -0.91 0.00-10.25 0.26 3.38 -0.55 -3.45 115.31 103.79 1ra5 h LEU 282 Ca -0.10 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.38 1ra5 h LEU 282 Cb 1.16 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.93 1ra5 h LEU 282 CO -0.02 0.37 0.04 -1.10 0.09 0.00 0.00 178.44 177.81 1ra5 s GLN 283 N -3.05 3.58 0.00 1.13 -1.52 -0.26 -4.08 119.66 115.46 1ra5 s GLN 283 Ca 0.02 0.14 0.00 0.00 -1.95 0.00 0.00 55.36 53.57 1ra5 s GLN 283 Cb 0.08 -2.45 0.00 0.00 -0.22 0.00 0.00 33.01 30.42 1ra5 s GLN 283 CO 0.76 -0.09 0.00 0.41 -0.25 0.00 0.00 175.29 176.12 1ra5 n GLY 284 N -1.92 0.54 0.09 3.09 0.00 -1.26 -4.86 105.19 100.88 1ra5 n GLY 284 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1ra5 n GLY 284 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ra5 n ARG 285 N -2.14 0.15 -0.01 1.61 5.12 -1.26 -2.62 116.66 117.52 1ra5 n ARG 285 Ca 0.00 0.34 0.10 0.00 -1.93 0.00 0.00 57.85 56.36 1ra5 n ARG 285 Cb 0.06 -1.76 0.09 0.00 -1.16 0.00 0.00 32.46 29.68 1ra5 n ARG 285 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1ra5 n PHE 286 N -2.04 0.01 -2.97 -1.55 3.01 -1.26 -4.93 117.46 107.72 1ra5 n PHE 286 Ca 0.03 -0.01 -0.28 0.00 1.01 0.00 0.00 57.45 58.20 1ra5 n PHE 286 Cb 0.25 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.70 1ra5 n PHE 286 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ra5 s ASP 287 N -1.63 6.40 0.00 4.37 1.01 -1.08 -5.06 116.67 120.69 1ra5 s ASP 287 Ca 0.23 0.89 0.00 0.00 0.71 0.00 0.00 52.55 54.38 1ra5 s ASP 287 Cb 0.16 -2.22 0.00 0.00 1.01 0.00 0.00 42.92 41.87 1ra5 s ASP 287 CO 0.25 -0.39 0.00 0.35 0.21 0.00 0.00 175.17 175.59 1ra5 n THR 288 N -1.53 0.00 -3.78 -1.27 -2.24 -1.26 -4.97 114.28 99.23 1ra5 n THR 288 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1ra5 n THR 288 Cb 0.54 -0.29 -0.13 0.00 -2.10 0.00 0.00 70.33 68.36 1ra5 n THR 288 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1ra5 s TYR 289 N 0.40 -0.19 0.86 4.78 2.02 -1.26 -4.18 117.35 119.79 1ra5 s TYR 289 Ca 0.00 0.49 -0.11 0.00 -0.37 0.00 0.00 57.07 57.08 1ra5 s TYR 289 Cb 0.00 0.00 0.11 0.00 -0.40 0.00 0.00 41.96 41.67 1ra5 s TYR 289 CO 0.00 -0.13 1.09 -1.25 -1.57 0.00 0.00 175.55 173.69 1ra5 s PRO 290 N 0.66 1.56 -0.14 -1.71 0.04 -1.26 -5.16 135.00 128.99 1ra5 s PRO 290 Ca -0.05 1.03 0.01 0.00 0.04 0.00 0.00 61.00 62.03 1ra5 s PRO 290 Cb -0.06 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1ra5 s PRO 290 CO -0.03 -2.09 -0.18 0.21 0.04 0.00 0.00 177.00 174.95 1ra5 s LYS 291 N -4.88 3.13 0.62 4.56 2.20 -1.26 -4.90 119.74 119.21 1ra5 s LYS 291 Ca 0.63 -0.80 -0.15 0.00 -0.36 0.00 0.00 55.97 55.29 1ra5 s LYS 291 Cb -0.18 -2.53 -0.02 0.00 -1.51 0.00 0.00 37.83 33.59 1ra5 s LYS 291 CO 0.57 0.03 1.07 -0.98 -0.36 0.00 0.00 175.35 175.67 1ra5 s ARG 292 N 0.76 3.16 -0.02 4.03 1.70 -1.26 -4.98 118.95 122.34 1ra5 s ARG 292 Ca -0.07 1.21 -0.23 0.00 -0.47 0.00 0.00 55.73 56.17 1ra5 s ARG 292 Cb -0.16 -2.01 -0.21 0.00 -0.57 0.00 0.00 34.95 32.00 1ra5 s ARG 292 CO 0.00 -0.94 1.13 0.00 -1.08 0.00 0.00 175.30 174.42 1ra5 h ARG 293 N 0.22 0.24 0.00 3.89 3.08 -1.96 -3.38 114.38 116.47 1ra5 h ARG 293 Ca -0.46 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.38 1ra5 h ARG 293 Cb 1.22 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.32 1ra5 h ARG 293 CO 0.57 0.88 0.00 0.41 -1.07 0.00 0.00 179.97 180.75 1ra5 n GLY 294 N 0.78 0.62 3.89 0.04 0.00 -1.26 -4.43 105.19 104.83 1ra5 n GLY 294 Ca -0.09 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 1ra5 n GLY 294 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ra5 s ILE 295 N -2.00 5.20 1.26 -0.61 1.09 -1.26 -4.65 121.20 120.23 1ra5 s ILE 295 Ca 0.00 0.13 -0.16 0.00 -1.10 0.00 0.00 60.65 59.52 1ra5 s ILE 295 Cb 0.00 -3.61 0.32 0.00 -1.06 0.00 0.00 42.46 38.10 1ra5 s ILE 295 CO 0.00 0.19 0.99 0.28 -0.10 0.00 0.00 174.94 176.30 1ra5 s THR 296 N -1.50 1.74 -1.43 2.92 -1.32 -1.26 -4.33 115.64 110.46 1ra5 s THR 296 Ca 0.35 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.72 1ra5 s THR 296 Cb -0.13 -2.08 -0.05 0.00 -1.51 0.00 0.00 72.50 68.72 1ra5 s THR 296 CO 0.21 0.00 2.59 0.54 -2.21 0.00 0.00 174.62 175.75 1ra5 n ARG 297 N -5.17 3.12 -0.06 7.08 1.74 -1.26 -4.71 116.66 117.40 1ra5 n ARG 297 Ca 0.06 -2.18 -0.08 0.00 -0.77 0.00 0.00 57.85 54.88 1ra5 n ARG 297 Cb 0.56 -2.89 -0.01 0.00 -1.02 0.00 0.00 32.46 29.10 1ra5 n ARG 297 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1ra5 h VAL 298 N 3.42 0.88 -0.43 1.55 2.07 -1.96 -0.37 116.25 121.41 1ra5 h VAL 298 Ca 0.72 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 68.21 1ra5 h VAL 298 Cb 0.38 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1ra5 h VAL 298 CO 1.78 0.02 0.24 0.50 0.02 0.00 0.00 177.57 180.13 1ra5 h LYS 299 N 0.14 0.47 -0.38 1.57 3.64 -1.85 -1.04 116.57 119.11 1ra5 h LYS 299 Ca 0.11 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 1ra5 h LYS 299 Cb 0.11 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1ra5 h LYS 299 CO -0.15 0.31 -0.22 0.93 -2.27 0.00 0.00 179.45 178.05 1ra5 h GLU 300 N 0.48 0.74 -0.38 1.90 3.07 -1.89 -1.59 114.58 116.91 1ra5 h GLU 300 Ca 0.18 -0.29 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1ra5 h GLU 300 Cb 0.04 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 1ra5 h GLU 300 CO -0.10 0.89 0.25 0.52 -1.40 0.00 0.00 179.01 179.17 1ra5 h MET 301 N 0.65 0.51 -0.79 2.33 2.86 -0.63 -0.71 114.93 119.16 1ra5 h MET 301 Ca 0.09 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1ra5 h MET 301 Cb 0.71 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.22 1ra5 h MET 301 CO 0.05 0.35 0.51 -0.07 1.06 0.00 0.00 176.91 178.81 1ra5 h LEU 302 N 0.51 0.92 -1.48 1.22 3.38 -0.95 -0.09 115.31 118.81 1ra5 h LEU 302 Ca 0.14 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1ra5 h LEU 302 Cb -0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1ra5 h LEU 302 CO -0.03 0.68 -0.26 -0.33 0.09 0.00 0.00 178.44 178.59 1ra5 h GLU 303 N 1.07 0.00 -0.06 1.13 5.08 -0.88 -2.58 114.58 118.34 1ra5 h GLU 303 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1ra5 h GLU 303 Cb -0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1ra5 h GLU 303 CO -0.06 0.26 0.00 0.43 -1.00 0.00 0.00 179.01 178.64 1ra5 n SER 304 N -4.15 1.92 -0.62 1.42 7.64 -0.31 -4.94 113.62 114.58 1ra5 n SER 304 Ca -0.02 -1.66 -0.07 0.00 1.01 0.00 0.00 58.87 58.13 1ra5 n SER 304 Cb 0.32 -0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.47 1ra5 n SER 304 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ra5 n GLY 305 N 1.22 0.64 3.73 0.23 0.00 -0.51 -4.99 105.19 105.50 1ra5 n GLY 305 Ca 0.18 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 1ra5 n GLY 305 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ra5 s ILE 306 N -2.29 5.13 -0.14 -0.61 1.01 -0.16 -5.02 121.20 119.12 1ra5 s ILE 306 Ca 0.00 1.03 -0.29 0.00 0.00 0.00 0.00 60.65 61.39 1ra5 s ILE 306 Cb 0.00 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 1ra5 s ILE 306 CO 0.00 0.35 1.50 0.21 0.00 0.00 0.00 174.94 176.99 1ra5 s ASN 307 N 0.44 6.69 0.03 3.58 2.47 -1.26 -4.26 114.94 122.63 1ra5 s ASN 307 Ca 0.28 1.86 0.03 0.00 0.42 0.00 0.00 52.86 55.44 1ra5 s ASN 307 Cb -0.16 -2.53 -0.02 0.00 -1.45 0.00 0.00 41.25 37.09 1ra5 s ASN 307 CO 0.12 -0.96 -0.09 0.54 -3.72 0.00 0.00 177.10 172.99 1ra5 s VAL 308 N 4.15 0.66 0.28 -5.21 0.11 -1.26 -1.24 120.40 117.90 1ra5 s VAL 308 Ca 0.66 -0.81 -0.08 0.00 -2.93 0.00 0.00 61.98 58.82 1ra5 s VAL 308 Cb -0.27 -0.65 -0.00 0.00 -1.53 0.00 0.00 36.38 33.94 1ra5 s VAL 308 CO 0.24 -0.13 0.45 0.00 -3.33 0.00 0.00 175.10 172.33 1ra5 s PHE 310 N -3.61 2.63 0.30 0.00 0.08 -0.36 -0.77 117.98 116.25 1ra5 s PHE 310 Ca 0.27 -0.45 0.11 0.00 0.12 0.00 0.00 56.93 56.98 1ra5 s PHE 310 Cb 0.00 -1.66 -0.05 0.00 -0.57 0.00 0.00 43.02 40.74 1ra5 s PHE 310 CO 0.13 -0.03 -0.11 0.20 -0.10 0.00 0.00 175.22 175.31 1ra5 s GLY 311 N -0.31 1.96 0.08 4.36 0.00 -0.16 -4.50 107.32 108.75 1ra5 s GLY 311 Ca 0.02 -1.92 0.12 0.00 0.00 0.00 0.00 44.72 42.94 1ra5 s GLY 311 CO 0.02 -1.94 1.03 0.84 0.00 0.00 0.00 173.10 173.05 1ra5 h HIS 312 N 2.08 0.00 0.00 1.90 2.76 -1.88 -3.37 115.15 116.65 1ra5 h HIS 312 Ca -0.42 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.75 1ra5 h HIS 312 Cb 1.25 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.21 1ra5 h HIS 312 CO 0.77 0.84 0.00 -3.47 -1.30 0.00 0.00 177.93 174.77 1ra5 n ASP 313 N -3.15 0.00 -4.01 3.26 4.64 0.11 -4.55 116.55 112.85 1ra5 n ASP 313 Ca -0.07 0.00 -0.14 0.00 -1.38 0.00 0.00 54.79 53.21 1ra5 n ASP 313 Cb 0.92 0.00 -0.12 0.00 -1.04 0.00 0.00 41.12 40.88 1ra5 n ASP 313 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1ra5 s ALA 314 N 0.00 0.47 -0.25 -1.67 0.00 -1.26 -1.25 121.76 117.81 1ra5 s ALA 314 Ca 0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 1ra5 s ALA 314 Cb 0.00 -0.00 0.07 0.00 0.00 0.00 0.00 23.12 23.19 1ra5 s ALA 314 CO 0.00 0.01 0.03 0.08 0.00 0.00 0.00 175.76 175.88 1ra5 s VAL 315 N -0.92 0.99 -0.87 0.00 1.01 -1.26 -4.86 120.40 114.48 1ra5 s VAL 315 Ca -0.06 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 60.80 1ra5 s VAL 315 Cb -0.07 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.81 1ra5 s VAL 315 CO 0.00 -0.33 0.67 0.33 0.00 0.00 0.00 175.10 175.78 1ra5 n PHE 316 N 4.85 -2.28 -3.72 5.22 -0.00 -0.60 -2.02 117.46 118.90 1ra5 n PHE 316 Ca -0.07 0.83 -0.03 0.00 -0.00 0.00 0.00 57.45 58.17 1ra5 n PHE 316 Cb 0.45 -3.31 -0.01 0.00 -0.00 0.00 0.00 39.48 36.60 1ra5 n PHE 316 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 1ra5 n ASP 317 N -2.35 -0.23 -0.23 -2.13 3.85 -0.12 -1.39 116.55 113.93 1ra5 n ASP 317 Ca -0.17 -1.36 0.29 0.00 -0.71 0.00 0.00 54.79 52.84 1ra5 n ASP 317 Cb 0.61 0.45 0.70 0.00 -1.35 0.00 0.00 41.12 41.53 1ra5 n ASP 317 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.20 175.54 1ra5 h PRO 318 N 0.00 0.06 -0.02 0.11 0.11 -1.85 -1.36 132.00 129.05 1ra5 h PRO 318 Ca -0.05 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1ra5 h PRO 318 Cb 0.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.32 1ra5 h PRO 318 CO 0.07 0.04 -0.33 0.91 -0.21 0.00 0.00 178.00 178.48 1ra5 n TRP 319 N -4.29 0.00 -3.20 0.65 8.01 -1.26 -4.64 117.44 112.71 1ra5 n TRP 319 Ca 0.21 0.00 0.04 0.00 -1.31 0.00 0.00 57.50 56.44 1ra5 n TRP 319 Cb 1.02 -0.01 -0.02 0.00 -2.01 0.00 0.00 31.31 30.30 1ra5 n TRP 319 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.69 176.21 1ra5 s TYR 320 N -2.34 -1.10 -2.00 -5.99 6.14 -0.51 -4.86 117.35 106.69 1ra5 s TYR 320 Ca 0.22 1.26 0.19 0.00 0.64 0.00 0.00 57.07 59.38 1ra5 s TYR 320 Cb 0.19 0.42 1.13 0.00 0.42 0.00 0.00 41.96 44.12 1ra5 s TYR 320 CO 0.49 -0.59 1.65 -0.35 0.64 0.00 0.00 175.55 177.39 1ra5 n PRO 321 N 5.41 0.88 -0.37 4.97 -0.04 -1.26 -0.95 135.00 143.64 1ra5 n PRO 321 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1ra5 n PRO 321 Cb 0.52 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 1ra5 n PRO 321 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ra5 n LEU 322 N -0.84 0.00 0.00 1.53 4.77 -1.26 -4.67 117.00 116.53 1ra5 n LEU 322 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1ra5 n LEU 322 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1ra5 n LEU 322 CO 0.11 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 1ra5 n GLY 323 N 3.26 2.34 0.34 -0.72 0.00 -1.26 -1.56 105.19 107.59 1ra5 n GLY 323 Ca 0.00 -1.69 0.05 0.00 0.00 0.00 0.00 46.02 44.37 1ra5 n GLY 323 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ra5 n THR 324 N 1.63 0.90 -3.68 2.61 -2.24 -1.26 -4.81 114.28 107.43 1ra5 n THR 324 Ca 0.00 -1.12 -0.25 0.00 -2.27 0.00 0.00 64.05 60.40 1ra5 n THR 324 Cb 0.00 0.17 0.07 0.00 -2.10 0.00 0.00 70.33 68.46 1ra5 n THR 324 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ra5 n ALA 325 N -0.65 -1.36 -2.60 6.98 0.00 -1.26 -4.76 120.51 116.86 1ra5 n ALA 325 Ca 0.08 0.32 -0.41 0.00 0.00 0.00 0.00 53.44 53.43 1ra5 n ALA 325 Cb 0.69 -5.03 -0.11 0.00 0.00 0.00 0.00 19.45 15.00 1ra5 n ALA 325 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ra5 s ASN 326 N -3.40 5.96 0.30 0.00 3.84 -1.26 -4.68 114.94 115.70 1ra5 s ASN 326 Ca 0.57 -0.64 0.05 0.00 0.21 0.00 0.00 52.86 53.05 1ra5 s ASN 326 Cb -0.26 -2.11 0.47 0.00 -0.55 0.00 0.00 41.25 38.80 1ra5 s ASN 326 CO 0.76 -0.31 1.73 0.24 -2.79 0.00 0.00 177.10 176.73 1ra5 h MET 327 N 8.50 0.31 0.00 0.43 2.86 -1.93 -2.25 114.93 122.85 1ra5 h MET 327 Ca -0.30 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.17 1ra5 h MET 327 Cb 1.14 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.78 1ra5 h MET 327 CO 0.66 0.62 -0.23 -0.07 1.06 0.00 0.00 176.91 178.95 1ra5 h LEU 328 N 0.27 0.00 -0.10 1.22 3.38 -1.95 0.28 115.31 118.42 1ra5 h LEU 328 Ca 0.03 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.76 1ra5 h LEU 328 Cb 0.73 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.50 1ra5 h LEU 328 CO 0.06 0.23 -0.91 -0.61 0.09 0.00 0.00 178.44 177.29 1ra5 h GLN 329 N 0.00 0.71 -0.20 1.13 4.15 -1.83 -0.69 115.11 118.38 1ra5 h GLN 329 Ca -0.00 -0.67 -0.00 0.00 0.77 0.00 0.00 58.65 58.74 1ra5 h GLN 329 Cb 0.48 0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 1ra5 h GLN 329 CO 0.03 1.27 0.11 0.28 -1.93 0.00 0.00 178.83 178.59 1ra5 h VAL 330 N 0.45 1.11 -0.47 2.39 2.07 -1.01 -2.16 116.25 118.62 1ra5 h VAL 330 Ca -0.09 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1ra5 h VAL 330 Cb 1.55 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 1ra5 h VAL 330 CO 0.18 0.10 0.28 0.25 0.02 0.00 0.00 177.57 178.40 1ra5 h LEU 331 N 0.22 0.45 -0.42 2.57 5.85 -0.91 -1.43 115.31 121.65 1ra5 h LEU 331 Ca 0.07 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.87 1ra5 h LEU 331 Cb 0.07 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 1ra5 h LEU 331 CO -0.01 0.32 0.04 -0.74 -0.34 0.00 0.00 178.44 177.71 1ra5 h HIS 332 N 0.56 0.06 -0.35 1.25 2.76 -0.90 -0.02 115.15 118.51 1ra5 h HIS 332 Ca 0.19 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.37 1ra5 h HIS 332 Cb 0.02 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 1ra5 h HIS 332 CO -0.07 -0.04 0.14 1.98 -1.30 0.00 0.00 177.93 178.65 1ra5 h MET 333 N 0.16 0.51 -0.78 5.26 1.85 -0.97 -2.72 114.93 118.24 1ra5 h MET 333 Ca 0.21 -0.09 0.01 0.00 -0.61 0.00 0.00 59.70 59.22 1ra5 h MET 333 Cb 0.28 -0.08 -0.04 0.00 0.43 0.00 0.00 31.60 32.18 1ra5 h MET 333 CO -0.30 0.50 0.52 0.78 -0.40 0.00 0.00 176.91 178.00 1ra5 h GLY 334 N 0.41 1.11 1.24 1.39 0.00 -0.70 -0.71 103.07 105.81 1ra5 h GLY 334 Ca 0.12 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 1ra5 h GLY 334 CO -0.01 0.39 0.30 1.41 0.00 0.00 0.00 176.54 178.63 1ra5 h LEU 335 N 1.05 0.89 0.17 3.11 3.38 -0.88 -0.65 115.31 122.37 1ra5 h LEU 335 Ca 0.29 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1ra5 h LEU 335 Cb -0.10 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.43 1ra5 h LEU 335 CO -0.07 0.78 -0.08 0.45 0.09 0.00 0.00 178.44 179.60 1ra5 h HIS 336 N 0.97 -0.21 -0.28 1.13 3.86 -1.13 -0.00 115.15 119.48 1ra5 h HIS 336 Ca 0.23 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.36 1ra5 h HIS 336 Cb 0.14 0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 1ra5 h HIS 336 CO 0.01 0.19 -0.14 0.28 0.86 0.00 0.00 177.93 179.14 1ra5 h VAL 337 N -0.72 1.23 -0.01 2.45 2.07 -1.09 -2.22 116.25 117.96 1ra5 h VAL 337 Ca -0.02 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1ra5 h VAL 337 Cb 0.51 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1ra5 h VAL 337 CO 0.04 0.34 -0.05 0.00 0.02 0.00 0.00 177.57 177.92 1ra5 n GLN 339 N -0.25 -6.46 -2.74 0.00 6.02 -0.79 -4.76 117.38 108.40 1ra5 n GLN 339 Ca 0.18 0.71 -0.42 0.00 -0.01 0.00 0.00 57.00 57.47 1ra5 n GLN 339 Cb 0.31 -5.63 0.01 0.00 1.02 0.00 0.00 30.24 25.95 1ra5 n GLN 339 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1ra5 n LEU 340 N -4.69 6.92 -0.88 1.08 4.77 -0.08 -4.70 117.00 119.42 1ra5 n LEU 340 Ca -0.06 -5.21 0.08 0.00 -0.03 0.00 0.00 56.01 50.79 1ra5 n LEU 340 Cb 0.58 -1.26 0.20 0.00 -2.33 0.00 0.00 43.42 40.61 1ra5 n LEU 340 CO 0.69 1.83 0.67 0.23 -1.33 0.00 0.00 177.39 179.47 1ra5 n MET 341 N 1.05 2.68 -1.96 3.23 2.81 -1.26 -3.91 117.12 119.76 1ra5 n MET 341 Ca 0.37 -2.20 -0.33 0.00 -1.81 0.00 0.00 57.70 53.73 1ra5 n MET 341 Cb 0.30 -1.37 0.02 0.00 -0.71 0.00 0.00 33.22 31.46 1ra5 n MET 341 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1ra5 s GLY 342 N -1.03 2.12 0.16 3.03 0.00 -1.26 -4.83 107.32 105.51 1ra5 s GLY 342 Ca 0.31 0.42 -0.16 0.00 0.00 0.00 0.00 44.72 45.30 1ra5 s GLY 342 CO 0.22 0.75 1.71 -1.82 0.00 0.00 0.00 173.10 173.96 1ra5 h TYR 343 N 0.30 0.04 -0.61 1.90 3.20 -1.99 -0.33 116.97 119.48 1ra5 h TYR 343 Ca -0.47 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.37 1ra5 h TYR 343 Cb 1.23 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.51 1ra5 h TYR 343 CO 0.58 -0.04 0.14 0.78 -1.64 0.00 0.00 178.16 177.97 1ra5 h GLY 344 N 0.14 1.03 1.02 1.82 0.00 -1.98 0.40 103.07 105.51 1ra5 h GLY 344 Ca 0.19 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 1ra5 h GLY 344 CO -0.29 0.58 0.20 1.46 0.00 0.00 0.00 176.54 178.49 1ra5 h GLN 345 N 0.91 1.00 -0.14 4.80 4.20 -1.69 0.65 115.11 124.85 1ra5 h GLN 345 Ca 0.19 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 1ra5 h GLN 345 Cb 0.34 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1ra5 h GLN 345 CO 0.00 0.88 -0.07 0.82 -0.67 0.00 0.00 178.83 179.80 1ra5 h ILE 346 N 0.93 1.31 -0.90 2.54 2.04 -0.80 -2.34 117.51 120.29 1ra5 h ILE 346 Ca 0.21 -1.10 0.03 0.00 1.00 0.00 0.00 64.86 65.00 1ra5 h ILE 346 Cb 0.30 1.75 -0.05 0.00 -0.74 0.00 0.00 36.82 38.07 1ra5 h ILE 346 CO -0.01 0.32 0.59 -1.13 0.00 0.00 0.00 178.15 177.92 1ra5 h ASN 347 N -0.05 0.98 0.18 1.72 -1.24 -0.72 -0.56 115.58 115.90 1ra5 h ASN 347 Ca 0.03 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1ra5 h ASN 347 Cb 0.53 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.36 1ra5 h ASN 347 CO 0.02 0.68 0.00 0.47 -1.29 0.00 0.00 177.43 177.31 1ra5 n ASP 348 N -4.51 0.00 -0.06 1.15 8.00 0.20 -3.87 116.55 117.46 1ra5 n ASP 348 Ca 0.11 -0.70 0.17 0.00 0.71 0.00 0.00 54.79 55.08 1ra5 n ASP 348 Cb 0.08 -0.09 0.60 0.00 -0.02 0.00 0.00 41.12 41.69 1ra5 n ASP 348 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1ra5 h GLY 349 N 4.88 0.32 1.14 0.44 0.00 -0.52 -1.12 103.07 108.20 1ra5 h GLY 349 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 47.33 47.36 1ra5 h GLY 349 CO 0.00 0.04 0.32 1.41 0.00 0.00 0.00 176.54 178.30 1ra5 h LEU 350 N 0.20 0.00 -1.85 3.11 3.38 -1.76 -0.11 115.31 118.28 1ra5 h LEU 350 Ca 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1ra5 h LEU 350 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1ra5 h LEU 350 CO -0.05 0.00 0.04 0.78 0.09 0.00 0.00 178.44 179.30 1ra5 h ASN 351 N 0.00 0.12 0.68 -0.43 2.35 -1.52 -1.68 115.58 115.10 1ra5 h ASN 351 Ca 0.19 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1ra5 h ASN 351 Cb 0.82 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.16 1ra5 h ASN 351 CO -0.00 0.11 0.00 -0.07 -1.65 0.00 0.00 177.43 175.82 1ra5 h LEU 352 N 0.14 0.00 -2.72 1.61 3.38 -1.19 -0.91 115.31 115.62 1ra5 h LEU 352 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ra5 h LEU 352 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1ra5 h LEU 352 CO -0.00 0.00 -0.00 2.30 0.09 0.00 0.00 178.44 180.82 1ra5 n ILE 353 N -2.42 0.90 0.00 1.22 -6.64 -0.70 -1.22 119.36 110.50 1ra5 n ILE 353 Ca 0.01 -0.92 0.00 0.00 -1.77 0.00 0.00 62.75 60.07 1ra5 n ILE 353 Cb 0.22 0.53 0.00 0.00 -1.44 0.00 0.00 39.64 38.95 1ra5 n ILE 353 CO 0.00 0.00 0.00 0.35 -1.77 0.00 0.00 176.55 175.13 1ra5 n THR 354 N -0.48 0.00 -0.24 7.28 -2.24 -0.80 -2.01 114.28 115.79 1ra5 n THR 354 Ca 0.01 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.80 1ra5 n THR 354 Cb 0.31 0.00 0.13 0.00 -2.10 0.00 0.00 70.33 68.67 1ra5 n THR 354 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1ra5 h HIS 355 N 0.00 0.65 -0.33 4.78 3.86 -1.77 -0.95 115.15 121.39 1ra5 h HIS 355 Ca 0.00 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.15 1ra5 h HIS 355 Cb 0.00 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 1ra5 h HIS 355 CO 0.00 0.25 -0.17 0.45 0.86 0.00 0.00 177.93 179.33 1ra5 h HIS 356 N 0.63 0.67 -0.10 2.45 3.86 -1.49 -1.98 115.15 119.18 1ra5 h HIS 356 Ca 0.34 -0.12 -0.15 0.00 -1.16 0.00 0.00 60.37 59.27 1ra5 h HIS 356 Cb 0.33 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1ra5 h HIS 356 CO -0.10 0.74 -0.60 0.77 0.86 0.00 0.00 177.93 179.60 1ra5 h SER 357 N 0.55 0.40 -0.71 2.45 0.02 -1.56 -1.82 113.55 112.87 1ra5 h SER 357 Ca 0.09 -0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 60.76 1ra5 h SER 357 Cb 0.60 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 1ra5 h SER 357 CO 0.04 0.90 0.24 0.00 -1.14 0.00 0.00 176.83 176.87 1ra5 h ALA 358 N 1.10 1.06 -0.58 3.77 0.00 -0.83 -1.46 119.26 122.33 1ra5 h ALA 358 Ca -0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1ra5 h ALA 358 Cb 1.12 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1ra5 h ALA 358 CO 0.10 0.64 0.09 -0.09 0.00 0.00 0.00 179.25 179.99 1ra5 h ARG 359 N 1.07 0.97 -0.81 0.00 2.43 -1.17 -1.49 114.38 115.39 1ra5 h ARG 359 Ca 0.24 -0.26 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1ra5 h ARG 359 Cb 0.27 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 1ra5 h ARG 359 CO -0.01 0.92 0.53 1.15 -1.51 0.00 0.00 179.97 181.05 1ra5 h THR 360 N 0.87 1.08 -0.08 0.20 2.02 -0.76 -0.77 112.91 115.47 1ra5 h THR 360 Ca 0.18 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1ra5 h THR 360 Cb 0.43 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1ra5 h THR 360 CO 0.01 0.17 0.00 0.18 0.37 0.00 0.00 175.52 176.25 1ra5 n LEU 361 N -4.47 0.97 -3.43 2.58 4.32 -0.60 -4.87 117.00 111.50 1ra5 n LEU 361 Ca 0.11 -0.39 -0.25 0.00 -0.02 0.00 0.00 56.01 55.47 1ra5 n LEU 361 Cb 0.17 -0.05 0.04 0.00 -1.62 0.00 0.00 43.42 41.96 1ra5 n LEU 361 CO 0.34 0.19 0.10 -3.20 -1.22 0.00 0.00 177.39 173.60 1ra5 n ASN 362 N -0.16 -5.69 -4.75 -1.43 4.05 -0.30 -4.93 115.26 102.05 1ra5 n ASN 362 Ca 0.17 -0.48 -0.41 0.00 0.45 0.00 0.00 54.58 54.31 1ra5 n ASN 362 Cb 0.23 -4.55 -0.03 0.00 1.23 0.00 0.00 39.78 36.67 1ra5 n ASN 362 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1ra5 s LEU 363 N -6.99 4.44 0.00 1.20 1.43 -0.62 -4.95 118.68 113.18 1ra5 s LEU 363 Ca 0.48 2.53 0.19 0.00 -1.03 0.00 0.00 54.13 56.30 1ra5 s LEU 363 Cb -0.22 -3.63 -0.13 0.00 0.03 0.00 0.00 46.19 42.24 1ra5 s LEU 363 CO 0.59 -0.50 0.85 0.00 0.23 0.00 0.00 176.35 177.53 1ra5 n GLN 364 N 1.65 1.14 -3.45 1.70 1.13 -1.26 -4.71 117.38 113.58 1ra5 n GLN 364 Ca 0.03 -0.34 -0.28 0.00 -1.94 0.00 0.00 57.00 54.47 1ra5 n GLN 364 Cb 0.42 -1.37 -0.11 0.00 0.11 0.00 0.00 30.24 29.30 1ra5 n GLN 364 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1ra5 s ASP 365 N -2.53 2.07 -0.18 1.08 3.68 -1.26 -5.09 116.67 114.43 1ra5 s ASP 365 Ca 0.10 -2.88 -0.11 0.00 2.13 0.00 0.00 52.55 51.80 1ra5 s ASP 365 Cb 0.14 -0.52 0.06 0.00 -1.45 0.00 0.00 42.92 41.16 1ra5 s ASP 365 CO 0.65 -0.20 0.45 -0.47 0.13 0.00 0.00 175.17 175.73 1ra5 s TYR 366 N 0.24 -0.65 0.00 -5.34 6.14 -1.26 -4.83 117.35 111.64 1ra5 s TYR 366 Ca 0.28 1.39 0.00 0.00 0.64 0.00 0.00 57.07 59.38 1ra5 s TYR 366 Cb -0.04 0.30 0.00 0.00 0.42 0.00 0.00 41.96 42.64 1ra5 s TYR 366 CO -0.14 -0.35 0.00 0.41 0.64 0.00 0.00 175.55 176.11 1ra5 n GLY 367 N 4.08 3.45 3.50 8.97 0.00 -1.26 -4.94 105.19 118.99 1ra5 n GLY 367 Ca -0.22 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 1ra5 n GLY 367 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ra5 s ILE 368 N -2.34 4.33 -0.03 -0.61 1.01 -1.26 -4.85 121.20 117.44 1ra5 s ILE 368 Ca 0.00 -1.10 -0.14 0.00 0.00 0.00 0.00 60.65 59.41 1ra5 s ILE 368 Cb 0.00 -4.90 0.02 0.00 0.01 0.00 0.00 42.46 37.59 1ra5 s ILE 368 CO 0.00 -1.70 0.30 0.00 0.00 0.00 0.00 174.94 173.54 1ra5 s ALA 369 N 3.84 -0.76 0.30 9.38 0.00 -1.26 -5.10 121.76 128.16 1ra5 s ALA 369 Ca 0.38 0.41 -0.30 0.00 0.00 0.00 0.00 51.96 52.45 1ra5 s ALA 369 Cb -0.03 -0.04 -0.12 0.00 0.00 0.00 0.00 23.12 22.93 1ra5 s ALA 369 CO -0.08 -0.24 1.54 0.00 0.00 0.00 0.00 175.76 176.98 1ra5 n ALA 370 N 1.60 2.23 0.00 0.00 0.00 -1.26 -2.10 120.51 120.97 1ra5 n ALA 370 Ca -0.20 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1ra5 n ALA 370 Cb 0.56 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1ra5 n ALA 370 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ra5 n GLY 371 N 1.92 3.30 3.85 0.00 0.00 0.50 -5.01 105.19 109.76 1ra5 n GLY 371 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1ra5 n GLY 371 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ra5 s ASN 372 N -0.24 6.36 0.58 1.61 -0.87 -0.89 -4.79 114.94 116.70 1ra5 s ASN 372 Ca 0.00 1.51 -0.20 0.00 -1.57 0.00 0.00 52.86 52.60 1ra5 s ASN 372 Cb 0.00 -2.49 -0.04 0.00 -0.02 0.00 0.00 41.25 38.70 1ra5 s ASN 372 CO 0.00 -0.77 1.29 -0.44 -2.57 0.00 0.00 177.10 174.61 1ra5 s SER 373 N -3.59 5.14 -1.40 -1.22 0.01 -1.26 -0.76 113.70 110.62 1ra5 s SER 373 Ca 0.57 2.61 -0.15 0.00 1.31 0.00 0.00 55.95 60.29 1ra5 s SER 373 Cb -0.11 -2.62 0.04 0.00 0.21 0.00 0.00 66.02 63.54 1ra5 s SER 373 CO 0.43 -1.64 2.09 0.00 0.41 0.00 0.00 173.24 174.52 1ra5 n ALA 374 N -1.34 4.93 -3.72 1.44 0.00 0.25 -4.57 120.51 117.51 1ra5 n ALA 374 Ca 0.12 -3.86 -0.34 0.00 0.00 0.00 0.00 53.44 49.36 1ra5 n ALA 374 Cb 0.47 -3.56 -0.14 0.00 0.00 0.00 0.00 19.45 16.22 1ra5 n ALA 374 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1ra5 s ASN 375 N 3.54 4.39 0.16 0.00 0.01 -1.26 -1.53 114.94 120.25 1ra5 s ASN 375 Ca 0.49 -0.94 -0.24 0.00 -0.71 0.00 0.00 52.86 51.47 1ra5 s ASN 375 Cb 0.11 -1.66 0.06 0.00 0.41 0.00 0.00 41.25 40.17 1ra5 s ASN 375 CO -0.04 -0.15 0.70 -1.48 -1.51 0.00 0.00 177.10 174.62 1ra5 s LEU 376 N 1.31 -0.44 0.11 0.60 0.05 0.01 -4.24 118.68 116.08 1ra5 s LEU 376 Ca -0.01 -0.16 0.04 0.00 0.05 0.00 0.00 54.13 54.05 1ra5 s LEU 376 Cb -0.17 2.51 -0.04 0.00 -2.05 0.00 0.00 46.19 46.44 1ra5 s LEU 376 CO -0.04 -0.99 -0.10 0.27 -0.55 0.00 0.00 176.35 174.93 1ra5 s ILE 377 N -3.66 1.02 -0.16 1.48 -4.36 0.02 -0.13 121.20 115.41 1ra5 s ILE 377 Ca 0.05 -1.75 0.02 0.00 -0.26 0.00 0.00 60.65 58.70 1ra5 s ILE 377 Cb -0.02 -1.49 0.02 0.00 1.25 0.00 0.00 42.46 42.21 1ra5 s ILE 377 CO -0.07 -0.59 -0.21 -0.63 0.24 0.00 0.00 174.94 173.68 1ra5 s ILE 378 N -2.64 2.05 -0.14 8.37 1.01 0.07 -1.90 121.20 128.01 1ra5 s ILE 378 Ca 0.08 -0.95 -0.06 0.00 0.00 0.00 0.00 60.65 59.73 1ra5 s ILE 378 Cb -0.02 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 1ra5 s ILE 378 CO 0.00 0.54 0.05 -0.76 0.00 0.00 0.00 174.94 174.78 1ra5 s LEU 379 N 1.12 3.82 -1.51 2.97 1.43 -0.02 -0.96 118.68 125.53 1ra5 s LEU 379 Ca 0.00 0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 53.13 1ra5 s LEU 379 Cb -0.14 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.15 1ra5 s LEU 379 CO -0.09 0.27 2.45 -0.81 0.23 0.00 0.00 176.35 178.41 1ra5 n PRO 380 N 2.88 3.14 -3.68 1.29 -0.04 -1.26 -1.33 135.00 135.99 1ra5 n PRO 380 Ca -0.18 -2.50 -0.10 0.00 -0.04 0.00 0.00 63.50 60.68 1ra5 n PRO 380 Cb 0.53 -3.13 -0.05 0.00 -0.04 0.00 0.00 33.50 30.81 1ra5 n PRO 380 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ra5 s ALA 381 N 2.81 -0.79 -0.07 0.55 0.00 -1.26 -4.97 121.76 118.04 1ra5 s ALA 381 Ca 0.54 -0.14 0.12 0.00 0.00 0.00 0.00 51.96 52.49 1ra5 s ALA 381 Cb 0.15 0.62 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 1ra5 s ALA 381 CO -0.08 -0.60 1.35 0.93 0.00 0.00 0.00 175.76 177.36 1ra5 h GLU 382 N 2.51 0.00 0.00 0.00 5.08 -1.87 -2.08 114.58 118.21 1ra5 h GLU 382 Ca -0.34 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.16 1ra5 h GLU 382 Cb 1.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1ra5 h GLU 382 CO 0.49 0.65 0.53 0.27 -1.00 0.00 0.00 179.01 179.95 1ra5 n ASN 383 N -3.25 -1.65 -0.34 1.42 0.23 -1.26 -4.79 115.26 105.62 1ra5 n ASN 383 Ca 0.01 -1.89 -0.01 0.00 -0.53 0.00 0.00 54.58 52.16 1ra5 n ASN 383 Cb 0.81 2.69 0.12 0.00 -2.08 0.00 0.00 39.78 41.32 1ra5 n ASN 383 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1ra5 h GLY 384 N 1.84 1.34 0.95 4.83 0.00 -1.92 -1.19 103.07 108.92 1ra5 h GLY 384 Ca -0.26 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 46.61 1ra5 h GLY 384 CO 0.34 0.42 0.01 -2.75 0.00 0.00 0.00 176.54 174.56 1ra5 h PHE 385 N 1.20 0.01 -0.52 5.60 3.57 -1.77 -1.15 116.94 123.88 1ra5 h PHE 385 Ca 0.36 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.84 1ra5 h PHE 385 Cb -0.04 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 1ra5 h PHE 385 CO -0.01 0.00 0.24 0.22 -2.23 0.00 0.00 178.31 176.53 1ra5 h ASP 386 N 0.03 0.69 -0.70 0.41 3.58 -1.88 0.93 116.42 119.47 1ra5 h ASP 386 Ca 0.02 -0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.33 1ra5 h ASP 386 Cb 0.02 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 40.86 1ra5 h ASP 386 CO -0.03 0.64 0.43 0.00 -2.88 0.00 0.00 179.24 177.40 1ra5 h ALA 387 N 1.08 0.89 -0.11 -0.78 0.00 -1.09 -1.71 119.26 117.55 1ra5 h ALA 387 Ca 0.18 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1ra5 h ALA 387 Cb 0.14 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1ra5 h ALA 387 CO -0.02 0.35 -0.07 1.25 0.00 0.00 0.00 179.25 180.77 1ra5 h LEU 388 N 0.95 0.24 -0.62 0.00 7.12 -0.94 -1.20 115.31 120.87 1ra5 h LEU 388 Ca 0.25 -0.44 0.02 0.00 0.13 0.00 0.00 57.88 57.84 1ra5 h LEU 388 Cb -0.04 -0.07 -0.04 0.00 -0.53 0.00 0.00 40.66 39.98 1ra5 h LEU 388 CO -0.05 0.63 0.40 -0.09 -0.13 0.00 0.00 178.44 179.20 1ra5 h ARG 389 N -0.14 0.77 -0.02 1.25 2.43 -0.67 -2.66 114.38 115.34 1ra5 h ARG 389 Ca 0.02 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1ra5 h ARG 389 Cb 0.55 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1ra5 h ARG 389 CO 0.02 0.51 -0.02 0.54 -1.51 0.00 0.00 179.97 179.51 1ra5 n ARG 390 N -4.69 1.64 -3.93 0.20 1.74 -0.66 -4.95 116.66 106.01 1ra5 n ARG 390 Ca 0.05 -1.00 -0.32 0.00 -0.77 0.00 0.00 57.85 55.82 1ra5 n ARG 390 Cb 0.05 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.01 1ra5 n ARG 390 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1ra5 n GLN 391 N 0.19 -1.85 -2.21 5.56 1.13 -0.48 -4.89 117.38 114.83 1ra5 n GLN 391 Ca 0.18 0.33 -0.34 0.00 -1.94 0.00 0.00 57.00 55.22 1ra5 n GLN 391 Cb 0.37 -3.94 0.00 0.00 0.11 0.00 0.00 30.24 26.78 1ra5 n GLN 391 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1ra5 s VAL 392 N -3.78 3.30 0.92 5.09 -7.23 -1.04 -5.05 120.40 112.61 1ra5 s VAL 392 Ca 0.24 0.76 -0.13 0.00 -1.81 0.00 0.00 61.98 61.04 1ra5 s VAL 392 Cb -0.10 -3.29 0.19 0.00 0.56 0.00 0.00 36.38 33.74 1ra5 s VAL 392 CO 0.91 -0.22 1.26 -2.16 -0.31 0.00 0.00 175.10 174.58 1ra5 s PRO 393 N -3.45 0.81 -0.36 4.82 0.04 -1.26 -5.00 135.00 130.60 1ra5 s PRO 393 Ca 0.71 -0.57 -0.19 0.00 0.04 0.00 0.00 61.00 60.98 1ra5 s PRO 393 Cb -0.22 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1ra5 s PRO 393 CO 0.29 -2.25 0.58 0.08 0.04 0.00 0.00 177.00 175.74 1ra5 s VAL 394 N -3.75 4.95 0.09 -0.36 1.01 -1.26 -4.34 120.40 116.74 1ra5 s VAL 394 Ca 0.73 0.44 -0.19 0.00 0.00 0.00 0.00 61.98 62.95 1ra5 s VAL 394 Cb -0.04 -4.03 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 1ra5 s VAL 394 CO 0.51 -0.29 1.62 -0.09 0.00 0.00 0.00 175.10 176.85 1ra5 h ARG 395 N 8.48 0.35 -3.34 2.72 9.65 -1.30 -3.10 114.38 127.84 1ra5 h ARG 395 Ca -0.27 -0.07 -0.18 0.00 -1.10 0.00 0.00 59.98 58.36 1ra5 h ARG 395 Cb 1.12 -0.05 -0.25 0.00 -1.39 0.00 0.00 29.97 29.39 1ra5 h ARG 395 CO 0.81 0.42 -0.51 0.71 2.80 0.00 0.00 179.97 184.20 1ra5 s TYR 396 N -5.45 -0.15 -0.13 2.20 1.51 -1.18 -1.64 117.35 112.50 1ra5 s TYR 396 Ca -0.14 0.37 0.03 0.00 -1.01 0.00 0.00 57.07 56.32 1ra5 s TYR 396 Cb 0.08 0.05 0.01 0.00 -0.11 0.00 0.00 41.96 41.98 1ra5 s TYR 396 CO 0.72 -0.13 -0.21 0.45 -1.11 0.00 0.00 175.55 175.26 1ra5 s SER 397 N -0.17 3.02 -0.10 2.29 0.15 -0.33 -0.75 113.70 117.81 1ra5 s SER 397 Ca -0.03 -0.58 0.03 0.00 0.70 0.00 0.00 55.95 56.08 1ra5 s SER 397 Cb -0.02 -1.39 -0.01 0.00 -1.71 0.00 0.00 66.02 62.88 1ra5 s SER 397 CO 0.01 0.08 -0.19 -0.69 1.20 0.00 0.00 173.24 173.65 1ra5 s VAL 398 N 0.76 2.53 -0.03 4.45 1.01 0.81 -0.51 120.40 129.43 1ra5 s VAL 398 Ca -0.09 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1ra5 s VAL 398 Cb -0.16 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 34.25 1ra5 s VAL 398 CO -0.00 0.55 0.00 -0.60 0.00 0.00 0.00 175.10 175.05 1ra5 s ARG 399 N 0.13 0.31 -1.81 2.72 3.52 0.31 -0.81 118.95 123.32 1ra5 s ARG 399 Ca -0.10 0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.59 1ra5 s ARG 399 Cb -0.16 -0.51 0.00 0.00 -1.56 0.00 0.00 34.95 32.72 1ra5 s ARG 399 CO 0.06 -0.15 0.00 0.41 -0.81 0.00 0.00 175.30 174.81 1ra5 n GLY 400 N 4.23 0.10 2.28 8.12 0.00 -0.68 -1.52 105.19 117.73 1ra5 n GLY 400 Ca -0.25 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1ra5 n GLY 400 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ra5 n GLY 401 N -0.90 0.59 3.33 -0.02 0.00 -0.58 -4.36 105.19 103.25 1ra5 n GLY 401 Ca -0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 1ra5 n GLY 401 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ra5 s LYS 402 N -0.08 1.66 -0.05 1.61 1.02 -0.57 -4.31 119.74 119.01 1ra5 s LYS 402 Ca 0.00 -1.10 -0.30 0.00 0.02 0.00 0.00 55.97 54.59 1ra5 s LYS 402 Cb 0.00 -1.86 -0.04 0.00 -0.52 0.00 0.00 37.83 35.42 1ra5 s LYS 402 CO 0.00 0.47 1.31 0.08 -0.92 0.00 0.00 175.35 176.29 1ra5 s VAL 403 N -0.84 4.02 -0.50 3.17 1.01 -1.26 -0.53 120.40 125.47 1ra5 s VAL 403 Ca 0.11 1.35 0.07 0.00 0.00 0.00 0.00 61.98 63.51 1ra5 s VAL 403 Cb -0.10 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1ra5 s VAL 403 CO 0.02 -0.03 0.42 2.30 0.00 0.00 0.00 175.10 177.81 1ra5 n ILE 404 N 4.79 0.00 -3.54 2.22 -6.64 0.34 -4.94 119.36 111.59 1ra5 n ILE 404 Ca 0.12 -0.38 -0.16 0.00 -1.77 0.00 0.00 62.75 60.56 1ra5 n ILE 404 Cb 0.45 1.04 -0.06 0.00 -1.44 0.00 0.00 39.64 39.63 1ra5 n ILE 404 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1ra5 s ALA 405 N -1.37 -1.81 -0.08 -1.28 0.00 -1.19 -4.96 121.76 111.07 1ra5 s ALA 405 Ca 0.04 1.40 -0.22 0.00 0.00 0.00 0.00 51.96 53.18 1ra5 s ALA 405 Cb 0.06 -0.20 0.05 0.00 0.00 0.00 0.00 23.12 23.03 1ra5 s ALA 405 CO 0.23 -0.35 0.52 -1.54 0.00 0.00 0.00 175.76 174.61 1ra5 s SER 406 N -1.16 -0.47 -0.12 0.00 1.04 -1.26 -1.18 113.70 110.55 1ra5 s SER 406 Ca -0.08 0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.94 1ra5 s SER 406 Cb -0.00 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.74 1ra5 s SER 406 CO 0.08 -0.45 -0.10 -0.89 0.98 0.00 0.00 173.24 172.86 1ra5 s THR 407 N -0.87 1.19 -0.33 2.02 2.01 -0.65 -4.99 115.64 114.02 1ra5 s THR 407 Ca -0.09 -0.40 -0.26 0.00 0.31 0.00 0.00 61.69 61.25 1ra5 s THR 407 Cb -0.03 -1.17 0.01 0.00 0.01 0.00 0.00 72.50 71.32 1ra5 s THR 407 CO 0.06 0.39 0.93 -1.58 -0.69 0.00 0.00 174.62 173.73 1ra5 s GLN 408 N 1.56 3.95 0.67 4.92 0.74 -1.26 -4.61 119.66 125.64 1ra5 s GLN 408 Ca 0.03 0.74 -0.17 0.00 0.05 0.00 0.00 55.36 56.02 1ra5 s GLN 408 Cb -0.13 -3.76 -0.01 0.00 1.10 0.00 0.00 33.01 30.21 1ra5 s GLN 408 CO -0.08 -0.84 1.00 -2.30 -0.55 0.00 0.00 175.29 172.52 1ra5 n PRO 409 N 6.61 0.70 -1.51 1.67 -0.02 -1.26 -4.97 135.00 136.22 1ra5 n PRO 409 Ca 0.08 0.29 -0.33 0.00 -2.02 0.00 0.00 63.50 61.52 1ra5 n PRO 409 Cb 0.48 -2.24 0.07 0.00 -0.02 0.00 0.00 33.50 31.79 1ra5 n PRO 409 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ra5 s ALA 410 N -1.66 2.28 -0.19 3.55 0.00 -1.26 -5.03 121.76 119.45 1ra5 s ALA 410 Ca 0.76 0.56 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1ra5 s ALA 410 Cb -0.37 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.44 1ra5 s ALA 410 CO 0.48 -1.61 -0.09 -0.65 0.00 0.00 0.00 175.76 173.89 1ra5 s GLN 411 N -4.26 1.85 -0.12 0.00 -0.21 -1.26 -5.11 119.66 110.54 1ra5 s GLN 411 Ca 0.67 -0.73 -0.03 0.00 0.02 0.00 0.00 55.36 55.29 1ra5 s GLN 411 Cb -0.22 -2.28 -0.03 0.00 1.00 0.00 0.00 33.01 31.48 1ra5 s GLN 411 CO 0.46 -0.42 -0.02 0.99 -2.12 0.00 0.00 175.29 174.18 1ra5 s THR 412 N 1.47 4.06 -0.01 -0.19 2.01 -1.26 -5.07 115.64 116.64 1ra5 s THR 412 Ca -0.00 -0.32 0.03 0.00 0.31 0.00 0.00 61.69 61.71 1ra5 s THR 412 Cb -0.16 -2.74 -0.00 0.00 0.01 0.00 0.00 72.50 69.61 1ra5 s THR 412 CO -0.08 0.54 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.40 1ra5 s THR 413 N -0.20 0.80 -0.07 -0.82 2.01 -1.26 -1.37 115.64 114.74 1ra5 s THR 413 Ca 0.04 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.65 1ra5 s THR 413 Cb -0.13 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.67 1ra5 s THR 413 CO 0.02 0.24 -0.13 0.68 -0.69 0.00 0.00 174.62 174.74 1ra5 s VAL 414 N -0.10 3.17 -0.81 3.82 -7.23 -0.18 -4.94 120.40 114.13 1ra5 s VAL 414 Ca 0.02 -0.67 -0.11 0.00 -1.81 0.00 0.00 61.98 59.40 1ra5 s VAL 414 Cb -0.05 -2.26 0.21 0.00 0.56 0.00 0.00 36.38 34.83 1ra5 s VAL 414 CO -0.00 0.58 0.72 -0.31 -0.31 0.00 0.00 175.10 175.78 1ra5 s TYR 415 N -0.54 3.72 0.00 2.82 1.51 -1.26 -0.83 117.35 122.77 1ra5 s TYR 415 Ca 0.08 -2.20 0.00 0.00 -1.01 0.00 0.00 57.07 53.94 1ra5 s TYR 415 Cb -0.12 -3.69 0.00 0.00 -0.11 0.00 0.00 41.96 38.05 1ra5 s TYR 415 CO 0.02 -0.95 0.00 1.28 -1.11 0.00 0.00 175.55 174.78 1ra5 n LEU 416 N 3.77 0.00 0.31 -1.29 4.77 -1.26 -4.86 117.00 118.44 1ra5 n LEU 416 Ca 0.13 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.31 1ra5 n LEU 416 Cb 0.45 0.00 0.98 0.00 -2.33 0.00 0.00 43.42 42.51 1ra5 n LEU 416 CO 0.34 0.00 1.10 -0.33 -1.33 0.00 0.00 177.39 177.16 1ra5 h GLU 417 N 0.00 0.00 -3.39 3.23 5.08 -2.05 -3.42 114.58 114.03 1ra5 h GLU 417 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1ra5 h GLU 417 Cb 0.00 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.07 1ra5 h GLU 417 CO 0.00 0.02 -0.36 1.14 -1.00 0.00 0.00 179.01 178.81 1ra5 s GLN 418 N -4.01 0.68 0.40 2.33 0.00 -1.26 -5.14 119.66 112.66 1ra5 s GLN 418 Ca -0.03 -0.48 -0.26 0.00 -0.00 0.00 0.00 55.36 54.60 1ra5 s GLN 418 Cb 0.12 0.29 -0.08 0.00 0.00 0.00 0.00 33.01 33.33 1ra5 s GLN 418 CO 0.48 -0.19 1.24 -2.14 0.00 0.00 0.00 175.29 174.68 1ra5 s PRO 419 N -2.11 3.99 -0.02 9.60 0.02 -1.26 -4.65 135.00 140.57 1ra5 s PRO 419 Ca -0.08 2.01 0.00 0.00 0.02 0.00 0.00 61.00 62.95 1ra5 s PRO 419 Cb -0.03 -2.71 0.02 0.00 0.02 0.00 0.00 34.50 31.80 1ra5 s PRO 419 CO -0.01 -0.42 0.01 -2.00 -0.33 0.00 0.00 177.00 174.25 1ra5 s GLU 420 N -2.27 0.07 0.12 5.54 2.12 -0.01 -4.94 118.70 119.33 1ra5 s GLU 420 Ca 0.57 0.11 -0.30 0.00 0.36 0.00 0.00 54.97 55.71 1ra5 s GLU 420 Cb -0.35 -0.26 -0.06 0.00 0.26 0.00 0.00 34.13 33.72 1ra5 s GLU 420 CO 0.44 -0.11 0.98 0.00 -0.54 0.00 0.00 175.26 176.02 1ra5 s ALA 421 N 0.78 3.26 -0.18 6.30 0.00 -1.26 -1.01 121.76 129.65 1ra5 s ALA 421 Ca -0.07 0.60 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 1ra5 s ALA 421 Cb -0.10 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1ra5 s ALA 421 CO -0.02 -0.05 -0.13 0.42 0.00 0.00 0.00 175.76 175.98 1ra5 s ILE 422 N -0.01 2.74 -0.12 0.00 1.09 -0.47 -4.96 121.20 119.47 1ra5 s ILE 422 Ca 0.47 -0.73 0.01 0.00 -1.10 0.00 0.00 60.65 59.31 1ra5 s ILE 422 Cb -0.24 -2.18 0.02 0.00 -1.06 0.00 0.00 42.46 39.00 1ra5 s ILE 422 CO 0.30 0.50 0.80 -0.90 -0.10 0.00 0.00 174.94 175.54 1ra5 n ASP 423 N 4.35 1.64 -1.70 3.58 3.85 -1.26 -4.35 116.55 122.66 1ra5 n ASP 423 Ca -0.19 -1.56 -0.21 0.00 -0.71 0.00 0.00 54.79 52.12 1ra5 n ASP 423 Cb 0.51 -0.01 -0.08 0.00 -1.35 0.00 0.00 41.12 40.19 1ra5 n ASP 423 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 1ra5 n TYR 424 N -0.18 -0.14 -3.10 2.11 4.01 -1.26 -4.99 117.16 113.60 1ra5 n TYR 424 Ca 0.01 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.55 1ra5 n TYR 424 Cb 0.16 -3.52 0.01 0.00 -0.31 0.00 0.00 39.34 35.68 1ra5 n TYR 424 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1ra5 s LYS 425 N -3.94 2.96 0.00 -0.72 1.02 -1.26 -5.00 119.74 112.80 1ra5 s LYS 425 Ca 0.00 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.15 1ra5 s LYS 425 Cb 0.00 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.64 1ra5 s LYS 425 CO 0.00 -0.23 0.13 -2.13 -0.92 0.00 0.00 175.35 172.20