#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xa1 s ASP 6 N 0.00 6.17 0.11 3.42 1.11 -1.26 -5.06 116.67 121.16 1xa1 s ASP 6 Ca 0.00 -0.12 -0.12 0.00 0.18 0.00 0.00 52.55 52.49 1xa1 s ASP 6 Cb 0.00 -2.19 -0.06 0.00 1.07 0.00 0.00 42.92 41.74 1xa1 s ASP 6 CO 0.00 -0.28 0.47 -0.31 1.18 0.00 0.00 175.17 176.24 1xa1 s TYR 7 N 1.99 3.60 0.54 4.23 2.02 -1.26 -5.07 117.35 123.39 1xa1 s TYR 7 Ca 0.12 0.92 0.09 0.00 -0.37 0.00 0.00 57.07 57.82 1xa1 s TYR 7 Cb -0.16 -2.26 0.06 0.00 -0.40 0.00 0.00 41.96 39.19 1xa1 s TYR 7 CO 0.11 0.48 0.66 -0.80 -1.57 0.00 0.00 175.55 174.44 1xa1 s ASN 8 N -1.72 5.08 -0.29 2.29 0.01 -1.26 -4.82 114.94 114.23 1xa1 s ASN 8 Ca 0.35 -0.86 -0.29 0.00 -0.71 0.00 0.00 52.86 51.35 1xa1 s ASN 8 Cb -0.14 0.14 0.01 0.00 0.41 0.00 0.00 41.25 41.67 1xa1 s ASN 8 CO 0.18 -1.18 1.08 -0.47 -1.51 0.00 0.00 177.10 175.21 1xa1 s TYR 9 N -2.63 3.17 -0.22 2.20 5.04 -0.32 -4.89 117.35 119.69 1xa1 s TYR 9 Ca 0.55 1.24 0.06 0.00 -2.44 0.00 0.00 57.07 56.48 1xa1 s TYR 9 Cb -0.05 -3.60 -0.07 0.00 0.35 0.00 0.00 41.96 38.59 1xa1 s TYR 9 CO 0.34 -0.76 0.23 1.63 -1.34 0.00 0.00 175.55 175.65 1xa1 n LYS 10 N 6.75 3.99 -1.85 4.97 4.76 -1.26 -4.83 118.16 130.69 1xa1 n LYS 10 Ca 0.12 -0.01 -0.41 0.00 -2.87 0.00 0.00 58.31 55.13 1xa1 n LYS 10 Cb 0.47 -0.86 -0.02 0.00 -1.84 0.00 0.00 35.03 32.78 1xa1 n LYS 10 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1xa1 s LYS 11 N -1.75 4.17 0.58 1.97 1.02 -1.26 -4.96 119.74 119.51 1xa1 s LYS 11 Ca 0.01 2.49 -0.15 0.00 0.02 0.00 0.00 55.97 58.34 1xa1 s LYS 11 Cb 0.04 -3.05 -0.05 0.00 -0.52 0.00 0.00 37.83 34.25 1xa1 s LYS 11 CO 0.25 -0.57 1.03 -1.25 -0.92 0.00 0.00 175.35 173.89 1xa1 s PRO 12 N -0.41 3.53 0.09 -1.68 0.04 -1.26 -5.17 135.00 130.14 1xa1 s PRO 12 Ca 0.62 1.06 0.01 0.00 0.04 0.00 0.00 61.00 62.73 1xa1 s PRO 12 Cb -0.46 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.02 1xa1 s PRO 12 CO 0.46 -0.62 0.06 1.28 0.04 0.00 0.00 177.00 178.21 1xa1 n LEU 13 N -2.01 0.00 -0.66 -3.56 4.77 -1.26 -5.27 117.00 109.01 1xa1 n LEU 13 Ca 0.08 -0.45 0.07 0.00 -0.03 0.00 0.00 56.01 55.68 1xa1 n LEU 13 Cb 0.53 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 1xa1 n LEU 13 CO 0.48 -0.29 -0.29 0.59 -1.33 0.00 0.00 177.39 176.56 1xa1 n ASN 15 N -1.91 -3.57 -4.58 -1.43 4.13 -1.26 -5.04 115.26 101.61 1xa1 n ASN 15 Ca -0.01 0.68 -0.45 0.00 1.68 0.00 0.00 54.58 56.49 1xa1 n ASN 15 Cb 0.10 -2.20 -0.02 0.00 -1.54 0.00 0.00 39.78 36.12 1xa1 n ASN 15 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1xa1 n ASP 16 N -2.95 1.18 -3.76 6.41 -0.08 -1.26 -4.88 116.55 111.22 1xa1 n ASP 16 Ca -0.04 1.18 -0.13 0.00 -1.51 0.00 0.00 54.79 54.29 1xa1 n ASP 16 Cb 0.30 -1.27 -0.14 0.00 2.34 0.00 0.00 41.12 42.35 1xa1 n ASP 16 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1xa1 s TYR 17 N -1.03 -0.18 -0.11 -0.67 5.04 -1.26 -1.46 117.35 117.68 1xa1 s TYR 17 Ca 0.59 0.50 0.00 0.00 -2.44 0.00 0.00 57.07 55.73 1xa1 s TYR 17 Cb -0.72 -0.04 0.02 0.00 0.35 0.00 0.00 41.96 41.58 1xa1 s TYR 17 CO 0.60 -0.16 -0.09 -1.14 -1.34 0.00 0.00 175.55 173.41 1xa1 s GLN 18 N 0.95 1.67 0.12 4.97 0.74 -0.25 -5.00 119.66 122.86 1xa1 s GLN 18 Ca -0.07 -0.33 -0.30 0.00 0.05 0.00 0.00 55.36 54.71 1xa1 s GLN 18 Cb -0.09 -1.63 -0.07 0.00 1.10 0.00 0.00 33.01 32.32 1xa1 s GLN 18 CO -0.05 -0.21 1.20 0.42 -0.55 0.00 0.00 175.29 176.10 1xa1 s ILE 19 N 1.49 3.80 0.10 -2.34 1.01 -1.26 -1.58 121.20 122.42 1xa1 s ILE 19 Ca 0.01 1.40 0.05 0.00 0.00 0.00 0.00 60.65 62.12 1xa1 s ILE 19 Cb -0.13 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1xa1 s ILE 19 CO -0.06 0.17 -0.03 -0.76 0.00 0.00 0.00 174.94 174.26 1xa1 s LEU 20 N 0.40 3.35 -0.31 2.97 1.43 0.08 -4.88 118.68 121.72 1xa1 s LEU 20 Ca 0.56 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 1xa1 s LEU 20 Cb -0.31 -2.09 0.08 0.00 0.03 0.00 0.00 46.19 43.89 1xa1 s LEU 20 CO 0.33 0.17 0.00 -0.62 0.23 0.00 0.00 176.35 176.46 1xa1 s ASP 21 N -2.30 4.75 -0.23 2.29 3.68 -1.26 -4.25 116.67 119.35 1xa1 s ASP 21 Ca 0.25 -1.68 0.11 0.00 2.13 0.00 0.00 52.55 53.36 1xa1 s ASP 21 Cb -0.11 -1.65 0.44 0.00 -1.45 0.00 0.00 42.92 40.15 1xa1 s ASP 21 CO 0.17 -0.31 1.29 0.29 0.13 0.00 0.00 175.17 176.74 1xa1 n LYS 22 N 4.44 1.67 0.00 4.34 4.76 -1.26 -4.76 118.16 127.34 1xa1 n LYS 22 Ca -0.07 -3.22 0.10 0.00 -2.87 0.00 0.00 58.31 52.25 1xa1 n LYS 22 Cb 0.42 -1.67 0.51 0.00 -1.84 0.00 0.00 35.03 32.45 1xa1 n LYS 22 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1xa1 h SER 23 N 0.95 0.32 -0.19 4.39 4.64 -1.97 -1.99 113.55 119.70 1xa1 h SER 23 Ca 0.06 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1xa1 h SER 23 Cb 1.20 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1xa1 h SER 23 CO 0.12 0.21 -0.01 0.50 -0.87 0.00 0.00 176.83 176.78 1xa1 h LYS 24 N 0.36 0.34 -0.40 4.77 3.64 -1.92 -0.43 116.57 122.93 1xa1 h LYS 24 Ca 0.19 -0.11 -0.13 0.00 -1.27 0.00 0.00 60.65 59.34 1xa1 h LYS 24 Cb 0.31 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1xa1 h LYS 24 CO -0.05 0.55 -0.24 0.82 -2.27 0.00 0.00 179.45 178.26 1xa1 h ILE 25 N 0.09 1.28 -0.37 2.00 2.04 -1.89 -2.63 117.51 118.02 1xa1 h ILE 25 Ca 0.05 -1.40 0.03 0.00 1.00 0.00 0.00 64.86 64.55 1xa1 h ILE 25 Cb 0.40 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1xa1 h ILE 25 CO 0.01 0.47 0.25 -0.26 0.00 0.00 0.00 178.15 178.62 1xa1 h PHE 26 N 0.69 0.35 0.00 1.37 0.04 -1.32 -3.46 116.94 114.60 1xa1 h PHE 26 Ca 0.08 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1xa1 h PHE 26 Cb 0.81 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.85 1xa1 h PHE 26 CO 0.06 0.20 0.00 0.41 -0.60 0.00 0.00 178.31 178.38 1xa1 n GLY 27 N -1.51 3.38 0.05 -1.45 0.00 -0.18 -0.83 105.19 104.65 1xa1 n GLY 27 Ca 0.04 0.25 0.14 0.00 0.00 0.00 0.00 46.02 46.45 1xa1 n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xa1 n SER 28 N 8.18 0.20 -4.89 1.61 3.41 -1.26 -4.83 113.62 116.03 1xa1 n SER 28 Ca 0.00 -0.31 -0.30 0.00 -0.26 0.00 0.00 58.87 58.00 1xa1 n SER 28 Cb 0.00 -0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 63.72 1xa1 n SER 28 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1xa1 s ASN 29 N -2.55 6.52 0.13 4.04 0.01 -0.01 -4.34 114.94 118.73 1xa1 s ASN 29 Ca 0.28 0.79 0.08 0.00 -0.71 0.00 0.00 52.86 53.30 1xa1 s ASN 29 Cb 0.20 -2.17 -0.04 0.00 0.41 0.00 0.00 41.25 39.65 1xa1 s ASN 29 CO 0.47 -0.13 -0.18 -0.94 -1.51 0.00 0.00 177.10 174.81 1xa1 s SER 30 N -2.80 2.43 0.00 -1.22 1.04 -0.73 -4.84 113.70 107.58 1xa1 s SER 30 Ca 0.45 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1xa1 s SER 30 Cb -0.11 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.88 1xa1 s SER 30 CO 0.26 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 175.07 1xa1 n GLY 31 N 0.70 -0.05 3.32 7.32 0.00 -1.26 -0.28 105.19 114.94 1xa1 n GLY 31 Ca -0.17 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 1xa1 n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xa1 s SER 32 N -4.00 -0.08 -0.02 1.61 1.04 -0.13 -4.78 113.70 107.35 1xa1 s SER 32 Ca 0.00 -0.55 -0.00 0.00 0.48 0.00 0.00 55.95 55.88 1xa1 s SER 32 Cb 0.00 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.59 1xa1 s SER 32 CO 0.00 -0.85 0.03 0.12 0.98 0.00 0.00 173.24 173.51 1xa1 s PHE 33 N -3.86 0.07 -0.07 5.02 5.36 -0.90 -1.65 117.98 121.94 1xa1 s PHE 33 Ca 0.07 0.12 0.03 0.00 -0.96 0.00 0.00 56.93 56.20 1xa1 s PHE 33 Cb 0.03 -0.28 0.01 0.00 -0.34 0.00 0.00 43.02 42.43 1xa1 s PHE 33 CO -0.08 -0.10 -0.16 0.08 -1.46 0.00 0.00 175.22 173.50 1xa1 s VAL 34 N 1.16 1.42 0.00 3.12 1.01 -0.60 -0.42 120.40 126.10 1xa1 s VAL 34 Ca -0.08 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1xa1 s VAL 34 Cb -0.13 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 1xa1 s VAL 34 CO -0.03 0.42 -0.06 -0.32 0.00 0.00 0.00 175.10 175.11 1xa1 s MET 35 N 0.44 0.48 -0.10 2.72 1.75 0.02 -1.11 119.30 123.51 1xa1 s MET 35 Ca -0.13 -0.30 0.03 0.00 -1.25 0.00 0.00 55.69 54.04 1xa1 s MET 35 Cb -0.15 -0.43 0.01 0.00 2.84 0.00 0.00 34.83 37.09 1xa1 s MET 35 CO 0.05 0.11 -0.20 -0.47 -0.65 0.00 0.00 175.02 173.86 1xa1 s TYR 36 N -0.35 2.26 -0.14 4.11 5.04 0.87 -0.42 117.35 128.73 1xa1 s TYR 36 Ca 0.00 -0.97 -0.17 0.00 -2.44 0.00 0.00 57.07 53.49 1xa1 s TYR 36 Cb -0.04 -1.55 -0.04 0.00 0.35 0.00 0.00 41.96 40.68 1xa1 s TYR 36 CO -0.00 -0.43 0.43 0.45 -1.34 0.00 0.00 175.55 174.66 1xa1 s SER 37 N 0.57 6.61 0.12 4.32 0.15 -0.39 -1.42 113.70 123.65 1xa1 s SER 37 Ca -0.15 0.72 -0.13 0.00 0.70 0.00 0.00 55.95 57.09 1xa1 s SER 37 Cb -0.17 -2.26 -0.07 0.00 -1.71 0.00 0.00 66.02 61.81 1xa1 s SER 37 CO 0.05 0.01 1.43 0.24 1.20 0.00 0.00 173.24 176.17 1xa1 h MET 38 N 6.78 0.81 -0.06 5.44 0.00 -1.62 -0.97 114.93 125.31 1xa1 h MET 38 Ca -0.40 -0.45 -0.01 0.00 0.00 0.00 0.00 59.70 58.84 1xa1 h MET 38 Cb 1.17 0.03 -0.00 0.00 0.00 0.00 0.00 31.60 32.80 1xa1 h MET 38 CO 0.75 1.08 0.00 -0.22 0.00 0.00 0.00 176.91 178.53 1xa1 h LYS 39 N 0.58 0.10 -0.01 1.72 3.64 -1.93 -3.13 116.57 117.55 1xa1 h LYS 39 Ca 0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1xa1 h LYS 39 Cb 0.96 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1xa1 h LYS 39 CO 0.09 0.36 -0.18 1.63 -2.27 0.00 0.00 179.45 179.08 1xa1 n LYS 40 N -4.88 0.80 -4.15 1.90 5.02 -1.24 -4.95 118.16 110.66 1xa1 n LYS 40 Ca -0.07 -0.39 -0.29 0.00 -2.02 0.00 0.00 58.31 55.54 1xa1 n LYS 40 Cb 0.18 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.64 1xa1 n LYS 40 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1xa1 n ASP 41 N -0.76 -0.19 -4.05 4.39 2.03 -0.38 -4.87 116.55 112.72 1xa1 n ASP 41 Ca 0.13 -1.12 -0.20 0.00 0.52 0.00 0.00 54.79 54.12 1xa1 n ASP 41 Cb 0.32 -2.40 -0.15 0.00 -0.72 0.00 0.00 41.12 38.16 1xa1 n ASP 41 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1xa1 s LYS 42 N -6.94 0.93 -0.07 -0.67 2.20 -1.14 -4.01 119.74 110.04 1xa1 s LYS 42 Ca 0.11 -0.39 -0.08 0.00 -0.36 0.00 0.00 55.97 55.26 1xa1 s LYS 42 Cb -0.06 -0.89 -0.04 0.00 -1.51 0.00 0.00 37.83 35.32 1xa1 s LYS 42 CO 0.94 0.22 0.21 0.71 -0.36 0.00 0.00 175.35 177.07 1xa1 s TYR 43 N -0.18 3.62 -0.17 4.03 2.02 -0.54 -1.26 117.35 124.86 1xa1 s TYR 43 Ca 0.03 0.60 0.00 0.00 -0.37 0.00 0.00 57.07 57.34 1xa1 s TYR 43 Cb -0.05 -2.00 0.03 0.00 -0.40 0.00 0.00 41.96 39.54 1xa1 s TYR 43 CO -0.00 0.70 -0.12 0.71 -1.57 0.00 0.00 175.55 175.26 1xa1 s TYR 44 N -1.10 2.24 -0.06 2.71 2.02 0.45 -1.10 117.35 122.51 1xa1 s TYR 44 Ca 0.19 -1.35 0.01 0.00 -0.37 0.00 0.00 57.07 55.55 1xa1 s TYR 44 Cb -0.13 -1.60 0.02 0.00 -0.40 0.00 0.00 41.96 39.85 1xa1 s TYR 44 CO 0.08 -0.70 -0.08 0.42 -1.57 0.00 0.00 175.55 173.71 1xa1 s ILE 45 N 1.46 0.84 -0.28 2.71 1.01 -0.62 -0.80 121.20 125.52 1xa1 s ILE 45 Ca 0.02 -0.29 -0.16 0.00 0.00 0.00 0.00 60.65 60.23 1xa1 s ILE 45 Cb -0.14 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 1xa1 s ILE 45 CO -0.10 0.30 0.40 -0.47 0.00 0.00 0.00 174.94 175.07 1xa1 s TYR 46 N 0.90 3.24 -0.53 3.97 6.04 0.44 -0.75 117.35 130.66 1xa1 s TYR 46 Ca -0.11 0.36 -0.02 0.00 0.04 0.00 0.00 57.07 57.34 1xa1 s TYR 46 Cb -0.15 -2.63 -0.02 0.00 -1.04 0.00 0.00 41.96 38.12 1xa1 s TYR 46 CO 0.01 -0.29 0.48 0.09 -1.54 0.00 0.00 175.55 174.30 1xa1 n ASN 47 N 5.40 -5.03 -0.28 4.32 3.02 -1.26 -2.13 115.26 119.29 1xa1 n ASN 47 Ca -0.08 -0.25 -0.04 0.00 -0.03 0.00 0.00 54.58 54.18 1xa1 n ASN 47 Cb 0.50 -3.39 0.07 0.00 -0.61 0.00 0.00 39.78 36.36 1xa1 n ASN 47 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1xa1 h GLU 48 N -0.23 1.00 -0.47 3.52 4.22 -1.93 0.97 114.58 121.67 1xa1 h GLU 48 Ca -0.20 -0.06 -0.08 0.00 0.08 0.00 0.00 59.36 59.10 1xa1 h GLU 48 Cb 1.10 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1xa1 h GLU 48 CO 0.22 0.66 -0.03 1.57 -2.18 0.00 0.00 179.01 179.26 1xa1 h LYS 49 N 1.04 0.85 -0.38 1.92 5.09 -2.00 -2.26 116.57 120.82 1xa1 h LYS 49 Ca 0.29 -0.29 -0.02 0.00 0.09 0.00 0.00 60.65 60.72 1xa1 h LYS 49 Cb -0.10 -0.07 -0.02 0.00 0.10 0.00 0.00 32.23 32.14 1xa1 h LYS 49 CO -0.07 0.91 0.13 1.49 -2.09 0.00 0.00 179.45 179.83 1xa1 h GLU 50 N 0.70 0.55 0.00 0.07 4.57 -1.85 -2.01 114.58 116.61 1xa1 h GLU 50 Ca 0.13 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1xa1 h GLU 50 Cb 0.55 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1xa1 h GLU 50 CO 0.03 0.47 0.00 0.66 -1.18 0.00 0.00 179.01 178.99 1xa1 h SER 51 N 0.54 0.00 0.08 1.04 4.64 -0.24 -2.08 113.55 117.54 1xa1 h SER 51 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1xa1 h SER 51 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1xa1 h SER 51 CO -0.01 0.00 -0.37 0.54 -0.87 0.00 0.00 176.83 176.12 1xa1 n ARG 52 N -2.94 1.11 -2.60 4.77 1.74 -0.76 -0.88 116.66 117.10 1xa1 n ARG 52 Ca -0.02 -0.83 -0.41 0.00 -0.77 0.00 0.00 57.85 55.82 1xa1 n ARG 52 Cb 0.14 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.05 1xa1 n ARG 52 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1xa1 s LYS 53 N -2.46 4.64 -0.03 5.56 2.20 -0.78 -1.18 119.74 127.68 1xa1 s LYS 53 Ca 0.21 1.61 -0.16 0.00 -0.36 0.00 0.00 55.97 57.27 1xa1 s LYS 53 Cb 0.19 -3.32 -0.05 0.00 -1.51 0.00 0.00 37.83 33.13 1xa1 s LYS 53 CO 0.54 0.13 0.42 1.03 -0.36 0.00 0.00 175.35 177.12 1xa1 s ARG 54 N -0.19 4.05 0.11 4.03 0.52 -1.26 -4.10 118.95 122.10 1xa1 s ARG 54 Ca 0.48 0.42 0.03 0.00 -0.52 0.00 0.00 55.73 56.14 1xa1 s ARG 54 Cb -0.27 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 31.88 1xa1 s ARG 54 CO 0.33 0.54 -0.08 0.71 0.02 0.00 0.00 175.30 176.82 1xa1 s TYR 55 N -0.61 1.01 0.23 -0.53 2.02 -0.18 -4.77 117.35 114.53 1xa1 s TYR 55 Ca 0.24 -0.85 -0.32 0.00 -0.37 0.00 0.00 57.07 55.77 1xa1 s TYR 55 Cb -0.16 -0.56 -0.13 0.00 -0.40 0.00 0.00 41.96 40.71 1xa1 s TYR 55 CO 0.12 -0.07 1.49 0.45 -1.57 0.00 0.00 175.55 175.97 1xa1 n SER 56 N -0.05 3.02 0.16 2.29 2.88 -1.26 -0.78 113.62 119.88 1xa1 n SER 56 Ca -0.12 1.13 0.13 0.00 -1.33 0.00 0.00 58.87 58.68 1xa1 n SER 56 Cb 0.61 -1.45 0.45 0.00 -0.75 0.00 0.00 64.21 63.06 1xa1 n SER 56 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1xa1 h PRO 57 N 4.80 0.00 0.00 -1.46 0.13 -1.71 -3.47 132.00 130.29 1xa1 h PRO 57 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1xa1 h PRO 57 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1xa1 h PRO 57 CO 0.80 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.66 1xa1 n ASN 58 N -2.53 0.00 0.00 1.44 4.13 -0.02 -1.81 115.26 116.47 1xa1 n ASN 58 Ca 0.03 0.00 0.09 0.00 1.68 0.00 0.00 54.58 56.38 1xa1 n ASN 58 Cb 0.36 0.00 0.45 0.00 -1.54 0.00 0.00 39.78 39.04 1xa1 n ASN 58 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1xa1 n SER 59 N 0.21 0.00 0.26 6.41 7.64 -1.26 -1.61 113.62 125.27 1xa1 n SER 59 Ca 0.00 0.21 0.11 0.00 1.01 0.00 0.00 58.87 60.20 1xa1 n SER 59 Cb 0.00 -0.37 0.71 0.00 -1.01 0.00 0.00 64.21 63.54 1xa1 n SER 59 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1xa1 h THR 60 N 0.00 0.73 0.00 0.44 1.35 -1.34 -1.72 112.91 112.37 1xa1 h THR 60 Ca 0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1xa1 h THR 60 Cb 0.24 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1xa1 h THR 60 CO 0.00 0.10 0.00 0.22 -0.25 0.00 0.00 175.52 175.59 1xa1 h TYR 61 N 0.00 0.00 -0.21 4.73 3.20 -1.43 -2.58 116.97 120.67 1xa1 h TYR 61 Ca -0.00 0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.93 1xa1 h TYR 61 Cb 0.23 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1xa1 h TYR 61 CO 0.00 0.00 0.21 0.87 -1.64 0.00 0.00 178.16 177.60 1xa1 h LYS 62 N 0.00 0.00 -0.55 1.82 1.57 -1.50 -0.73 116.57 117.17 1xa1 h LYS 62 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 1xa1 h LYS 62 Cb 0.28 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.52 1xa1 h LYS 62 CO 0.00 0.00 0.12 0.82 -0.57 0.00 0.00 179.45 179.82 1xa1 h ILE 63 N 0.00 0.68 0.15 1.86 2.04 -1.66 -1.18 117.51 119.41 1xa1 h ILE 63 Ca 0.10 -0.09 -0.30 0.00 1.00 0.00 0.00 64.86 65.57 1xa1 h ILE 63 Cb 0.52 0.41 0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1xa1 h ILE 63 CO -0.00 0.05 -1.30 1.88 0.00 0.00 0.00 178.15 178.78 1xa1 h TYR 64 N 0.25 0.88 -0.36 1.37 0.05 -1.37 -1.93 116.97 115.86 1xa1 h TYR 64 Ca 0.28 -0.59 -0.03 0.00 0.05 0.00 0.00 58.73 58.44 1xa1 h TYR 64 Cb 0.40 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 1xa1 h TYR 64 CO -0.24 1.44 0.08 -0.07 -1.05 0.00 0.00 178.16 178.33 1xa1 h LEU 65 N 0.20 0.48 0.10 3.88 3.38 -1.30 0.14 115.31 122.19 1xa1 h LEU 65 Ca -0.19 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1xa1 h LEU 65 Cb 1.98 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.61 1xa1 h LEU 65 CO 0.24 0.49 -0.05 0.00 0.09 0.00 0.00 178.44 179.21 1xa1 h ALA 66 N 1.58 -0.13 -0.61 1.53 0.00 -1.13 0.90 119.26 121.40 1xa1 h ALA 66 Ca 0.12 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1xa1 h ALA 66 Cb 0.20 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1xa1 h ALA 66 CO -0.00 -0.44 0.28 1.98 0.00 0.00 0.00 179.25 181.07 1xa1 h MET 67 N -0.40 0.49 -0.66 0.00 1.85 -0.89 0.08 114.93 115.39 1xa1 h MET 67 Ca -0.01 -0.03 -0.08 0.00 -0.61 0.00 0.00 59.70 58.97 1xa1 h MET 67 Cb 0.34 -0.11 -0.03 0.00 0.43 0.00 0.00 31.60 32.23 1xa1 h MET 67 CO 0.02 0.32 0.11 0.74 -0.40 0.00 0.00 176.91 177.71 1xa1 h PHE 68 N 0.51 1.16 -0.42 1.39 0.04 -0.66 0.13 116.94 119.09 1xa1 h PHE 68 Ca 0.29 -0.16 0.01 0.00 2.80 0.00 0.00 57.97 60.92 1xa1 h PHE 68 Cb 0.29 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 1xa1 h PHE 68 CO -0.13 0.97 0.27 0.78 -0.60 0.00 0.00 178.31 179.60 1xa1 h GLY 69 N 1.05 0.59 0.96 -1.45 0.00 -0.18 -0.69 103.07 103.35 1xa1 h GLY 69 Ca 0.20 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1xa1 h GLY 69 CO 0.01 0.20 0.14 1.41 0.00 0.00 0.00 176.54 178.30 1xa1 h LEU 70 N 0.54 0.70 -0.72 3.11 3.38 -0.76 0.11 115.31 121.67 1xa1 h LEU 70 Ca 0.16 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1xa1 h LEU 70 Cb -0.04 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1xa1 h LEU 70 CO -0.05 0.72 -0.08 -0.78 0.09 0.00 0.00 178.44 178.35 1xa1 h ASP 71 N 0.63 0.89 -0.09 -0.43 3.58 -0.49 -2.59 116.42 117.92 1xa1 h ASP 71 Ca 0.15 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1xa1 h ASP 71 Cb 0.28 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.09 1xa1 h ASP 71 CO -0.00 0.99 0.00 0.54 -2.88 0.00 0.00 179.24 177.89 1xa1 n ARG 72 N -4.17 1.71 -1.49 0.28 1.74 -0.29 -4.93 116.66 109.52 1xa1 n ARG 72 Ca 0.02 -1.05 -0.13 0.00 -0.77 0.00 0.00 57.85 55.92 1xa1 n ARG 72 Cb 0.36 -1.44 -0.05 0.00 -1.02 0.00 0.00 32.46 30.31 1xa1 n ARG 72 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1xa1 n HIS 73 N 0.27 -0.08 0.01 -1.55 8.25 -0.83 -4.88 115.22 116.42 1xa1 n HIS 73 Ca 0.18 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.61 1xa1 n HIS 73 Cb 0.35 -2.40 0.22 0.00 1.12 0.00 0.00 29.99 29.28 1xa1 n HIS 73 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1xa1 h ILE 74 N 0.00 1.25 -3.70 1.59 2.04 -1.07 -3.43 117.51 114.19 1xa1 h ILE 74 Ca -0.27 -1.17 -0.33 0.00 1.00 0.00 0.00 64.86 64.09 1xa1 h ILE 74 Cb 0.89 1.27 -0.18 0.00 -0.74 0.00 0.00 36.82 38.06 1xa1 h ILE 74 CO 0.38 0.38 -0.73 0.27 0.00 0.00 0.00 178.15 178.44 1xa1 s ILE 75 N -4.59 0.99 0.00 -0.67 -4.36 -1.00 -4.98 121.20 106.59 1xa1 s ILE 75 Ca -0.07 -1.66 0.00 0.00 -0.26 0.00 0.00 60.65 58.66 1xa1 s ILE 75 Cb 0.14 -1.39 0.00 0.00 1.25 0.00 0.00 42.46 42.46 1xa1 s ILE 75 CO 0.79 -0.55 0.00 -0.46 0.24 0.00 0.00 174.94 174.96 1xa1 n ASN 76 N 0.53 0.00 0.00 4.36 0.23 -1.26 -4.08 115.26 115.04 1xa1 n ASN 76 Ca -0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.89 1xa1 n ASN 76 Cb 0.58 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.28 1xa1 n ASN 76 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1xa1 n GLU 78 N 0.00 0.00 -3.36 -3.83 1.02 -1.26 -3.27 120.64 109.94 1xa1 n GLU 78 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1xa1 n GLU 78 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 1xa1 n GLU 78 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1xa1 s ASN 79 N 0.00 1.07 -0.09 1.62 3.04 -1.26 -4.94 114.94 114.39 1xa1 s ASN 79 Ca 0.00 -0.54 0.12 0.00 0.04 0.00 0.00 52.86 52.48 1xa1 s ASN 79 Cb 0.00 0.78 0.23 0.00 -1.54 0.00 0.00 41.25 40.72 1xa1 s ASN 79 CO 0.00 -0.37 1.14 -1.54 -3.04 0.00 0.00 177.10 173.30 1xa1 n SER 80 N 5.33 2.47 -4.80 -4.21 3.41 -1.20 -4.66 113.62 109.95 1xa1 n SER 80 Ca -0.01 -2.67 -0.31 0.00 -0.26 0.00 0.00 58.87 55.62 1xa1 n SER 80 Cb 0.48 -0.30 0.07 0.00 -0.26 0.00 0.00 64.21 64.20 1xa1 n SER 80 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xa1 s ARG 81 N -2.16 2.52 -0.21 4.33 0.52 -1.26 -3.56 118.95 119.13 1xa1 s ARG 81 Ca 0.23 0.92 -0.08 0.00 -0.52 0.00 0.00 55.73 56.28 1xa1 s ARG 81 Cb 0.19 -1.95 0.09 0.00 0.52 0.00 0.00 34.95 33.80 1xa1 s ARG 81 CO 0.04 -1.39 0.46 -1.64 0.02 0.00 0.00 175.30 172.79 1xa1 s MET 82 N -5.03 0.38 0.42 3.54 -1.94 0.70 -4.94 119.30 112.42 1xa1 s MET 82 Ca 0.60 1.05 -0.24 0.00 -1.71 0.00 0.00 55.69 55.39 1xa1 s MET 82 Cb -0.15 0.33 -0.08 0.00 2.01 0.00 0.00 34.83 36.94 1xa1 s MET 82 CO 0.55 -0.23 1.18 -1.12 -0.01 0.00 0.00 175.02 175.40 1xa1 s SER 83 N 2.41 6.36 0.00 3.03 0.01 -1.26 -1.31 113.70 122.94 1xa1 s SER 83 Ca -0.04 2.36 0.00 0.00 1.31 0.00 0.00 55.95 59.58 1xa1 s SER 83 Cb -0.11 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.51 1xa1 s SER 83 CO -0.14 -0.79 0.00 1.87 0.41 0.00 0.00 173.24 174.59 1xa1 n TRP 84 N -0.14 -0.38 -2.43 2.43 -0.00 -1.26 -4.89 117.44 110.77 1xa1 n TRP 84 Ca 0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.41 1xa1 n TRP 84 Cb 0.47 0.00 0.03 0.00 -0.00 0.00 0.00 31.31 31.81 1xa1 n TRP 84 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 1xa1 n HIS 86 N -0.38 2.13 -4.17 5.87 -0.00 -1.26 -4.97 115.22 112.43 1xa1 n HIS 86 Ca 0.00 -2.34 -0.34 0.00 -0.00 0.00 0.00 57.72 55.04 1xa1 n HIS 86 Cb 0.00 -0.28 -0.08 0.00 -0.00 0.00 0.00 29.99 29.64 1xa1 n HIS 86 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1xa1 s LYS 87 N -3.63 3.06 0.08 -0.41 2.20 -1.26 -5.09 119.74 114.70 1xa1 s LYS 87 Ca 0.40 -0.43 -0.25 0.00 -0.36 0.00 0.00 55.97 55.33 1xa1 s LYS 87 Cb 0.38 -2.86 -0.06 0.00 -1.51 0.00 0.00 37.83 33.77 1xa1 s LYS 87 CO -0.01 0.68 0.75 -1.58 -0.36 0.00 0.00 175.35 174.83 1xa1 s HIS 88 N -1.07 3.79 0.21 4.03 5.65 -1.26 -4.87 115.29 121.77 1xa1 s HIS 88 Ca 0.19 1.50 0.10 0.00 0.25 0.00 0.00 55.06 57.10 1xa1 s HIS 88 Cb -0.12 -2.78 -0.05 0.00 -1.18 0.00 0.00 32.58 28.46 1xa1 s HIS 88 CO 0.09 0.36 -0.19 0.71 -0.65 0.00 0.00 174.74 175.06 1xa1 s TYR 89 N -0.44 2.04 -2.00 3.88 1.51 -1.26 -5.04 117.35 116.04 1xa1 s TYR 89 Ca 0.37 -0.42 0.22 0.00 -1.01 0.00 0.00 57.07 56.22 1xa1 s TYR 89 Cb -0.21 -0.96 1.30 0.00 -0.11 0.00 0.00 41.96 41.98 1xa1 s TYR 89 CO 0.24 0.48 1.69 -0.35 -1.11 0.00 0.00 175.55 176.50 1xa1 n PRO 90 N -0.09 0.71 -4.57 -1.71 -0.04 -1.26 -4.58 135.00 123.47 1xa1 n PRO 90 Ca -0.10 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.03 1xa1 n PRO 90 Cb 0.58 -1.48 -0.16 0.00 -0.04 0.00 0.00 33.50 32.40 1xa1 n PRO 90 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1xa1 s PHE 91 N -2.00 2.72 0.41 0.54 0.40 -1.26 -5.02 117.98 113.77 1xa1 s PHE 91 Ca 0.33 -1.28 0.11 0.00 -0.60 0.00 0.00 56.93 55.49 1xa1 s PHE 91 Cb 0.15 -1.85 0.87 0.00 0.51 0.00 0.00 43.02 42.70 1xa1 s PHE 91 CO 0.25 -0.59 1.95 -0.44 0.70 0.00 0.00 175.22 177.10 1xa1 h ASP 92 N 7.39 0.17 -0.13 1.36 3.45 -1.98 -1.18 116.42 125.50 1xa1 h ASP 92 Ca -0.34 -0.03 0.04 0.00 0.43 0.00 0.00 57.03 57.13 1xa1 h ASP 92 Cb 1.19 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.91 1xa1 h ASP 92 CO 0.57 0.31 0.13 0.00 -1.57 0.00 0.00 179.24 178.68 1xa1 h ALA 93 N 1.71 1.81 0.00 3.45 0.00 -1.95 -0.49 119.26 123.79 1xa1 h ALA 93 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xa1 h ALA 93 Cb 0.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xa1 h ALA 93 CO 0.02 -0.20 -0.10 -1.49 0.00 0.00 0.00 179.25 177.48 1xa1 h TRP 94 N 0.00 0.00 -1.05 0.00 4.06 -1.58 -3.40 115.95 113.98 1xa1 h TRP 94 Ca 0.06 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.43 1xa1 h TRP 94 Cb 0.32 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 28.33 1xa1 h TRP 94 CO 0.00 0.00 1.18 0.09 -3.56 0.00 0.00 178.44 176.15 1xa1 n ASN 95 N -2.90 7.06 -3.65 -3.49 3.02 -0.19 -4.85 115.26 110.26 1xa1 n ASN 95 Ca 0.04 -3.15 -0.02 0.00 -0.03 0.00 0.00 54.58 51.42 1xa1 n ASN 95 Cb 0.51 -1.29 -0.01 0.00 -0.61 0.00 0.00 39.78 38.38 1xa1 n ASN 95 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1xa1 s LYS 96 N -1.35 0.76 0.53 3.52 -2.85 -1.26 -5.06 119.74 114.03 1xa1 s LYS 96 Ca 0.58 -0.39 -0.19 0.00 -1.00 0.00 0.00 55.97 54.96 1xa1 s LYS 96 Cb 0.30 0.28 -0.10 0.00 -2.06 0.00 0.00 37.83 36.25 1xa1 s LYS 96 CO -0.16 -0.35 0.52 -1.91 0.10 0.00 0.00 175.35 173.55 1xa1 n GLU 97 N -0.40 0.54 -4.11 1.78 2.13 -1.26 -4.22 120.64 115.09 1xa1 n GLU 97 Ca -0.07 0.21 -0.13 0.00 0.66 0.00 0.00 57.16 57.83 1xa1 n GLU 97 Cb 0.61 -1.64 -0.11 0.00 0.27 0.00 0.00 31.44 30.57 1xa1 n GLU 97 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1xa1 s GLN 98 N -1.91 0.66 0.38 5.31 -1.52 -0.43 -4.90 119.66 117.24 1xa1 s GLN 98 Ca 0.67 -0.96 0.01 0.00 -1.95 0.00 0.00 55.36 53.13 1xa1 s GLN 98 Cb -0.49 -0.33 -0.00 0.00 -0.22 0.00 0.00 33.01 31.97 1xa1 s GLN 98 CO 0.56 0.05 0.04 -0.40 -0.25 0.00 0.00 175.29 175.28 1xa1 n ASP 99 N 0.98 2.49 -0.25 5.90 5.68 -1.26 -0.22 116.55 129.87 1xa1 n ASP 99 Ca -0.19 -2.75 -0.01 0.00 -0.50 0.00 0.00 54.79 51.34 1xa1 n ASP 99 Cb 0.56 0.46 0.11 0.00 -1.14 0.00 0.00 41.12 41.11 1xa1 n ASP 99 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1xa1 h LEU 100 N 0.00 0.60 -0.08 -2.12 5.85 -1.96 -0.02 115.31 117.58 1xa1 h LEU 100 Ca -0.31 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.47 1xa1 h LEU 100 Cb 0.99 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 1xa1 h LEU 100 CO 0.50 0.38 -0.08 0.78 -0.34 0.00 0.00 178.44 179.69 1xa1 h ASN 101 N 0.73 -0.24 0.07 1.25 2.35 -1.93 0.07 115.58 117.88 1xa1 h ASN 101 Ca 0.32 0.05 -0.17 0.00 -0.55 0.00 0.00 56.30 55.95 1xa1 h ASN 101 Cb 0.21 0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 1xa1 h ASN 101 CO -0.19 -0.11 -0.60 0.71 -1.65 0.00 0.00 177.43 175.59 1xa1 h THR 102 N -0.10 1.33 -0.58 2.81 1.35 -1.85 -2.20 112.91 113.66 1xa1 h THR 102 Ca 0.06 -1.89 -0.04 0.00 -0.55 0.00 0.00 66.41 63.99 1xa1 h THR 102 Cb 0.18 1.86 -0.02 0.00 -1.73 0.00 0.00 68.15 68.44 1xa1 h THR 102 CO -0.14 0.58 0.20 0.00 -0.25 0.00 0.00 175.52 175.91 1xa1 h ALA 103 N 0.94 0.76 -0.19 6.62 0.00 -0.81 -1.34 119.26 125.24 1xa1 h ALA 103 Ca -0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1xa1 h ALA 103 Cb 1.16 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1xa1 h ALA 103 CO 0.11 0.41 -0.28 1.98 0.00 0.00 0.00 179.25 181.47 1xa1 h MET 104 N 0.82 0.53 -0.63 0.00 -1.53 -0.94 0.77 114.93 113.95 1xa1 h MET 104 Ca 0.19 -0.31 -0.00 0.00 -3.44 0.00 0.00 59.70 56.13 1xa1 h MET 104 Cb 0.26 0.03 -0.03 0.00 -0.55 0.00 0.00 31.60 31.30 1xa1 h MET 104 CO -0.01 0.91 0.37 0.37 0.14 0.00 0.00 176.91 178.69 1xa1 h GLN 105 N 0.19 0.85 -0.49 0.39 4.15 -1.26 -2.70 115.11 116.26 1xa1 h GLN 105 Ca 0.02 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1xa1 h GLN 105 Cb 0.85 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.36 1xa1 h GLN 105 CO 0.06 0.62 0.00 0.09 -1.93 0.00 0.00 178.83 177.67 1xa1 n ASN 106 N -4.59 3.52 -3.68 -0.69 5.03 -0.52 -4.98 115.26 109.35 1xa1 n ASN 106 Ca 0.05 -1.97 -0.31 0.00 0.87 0.00 0.00 54.58 53.21 1xa1 n ASN 106 Cb 0.06 -0.32 0.04 0.00 -1.02 0.00 0.00 39.78 38.55 1xa1 n ASN 106 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1xa1 n SER 107 N 1.42 -5.22 -4.52 6.41 2.88 0.06 -4.84 113.62 109.81 1xa1 n SER 107 Ca 0.20 -1.02 -0.42 0.00 -1.33 0.00 0.00 58.87 56.30 1xa1 n SER 107 Cb 0.58 -3.38 -0.03 0.00 -0.75 0.00 0.00 64.21 60.63 1xa1 n SER 107 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1xa1 s VAL 108 N -3.47 4.03 0.22 2.46 1.01 -0.03 -4.90 120.40 119.71 1xa1 s VAL 108 Ca 0.47 0.26 -0.08 0.00 0.00 0.00 0.00 61.98 62.63 1xa1 s VAL 108 Cb -0.17 -4.77 0.17 0.00 0.00 0.00 0.00 36.38 31.62 1xa1 s VAL 108 CO 0.86 -1.56 1.73 0.78 0.00 0.00 0.00 175.10 176.92 1xa1 h ASN 109 N 9.72 0.22 -0.15 3.32 2.35 -1.89 -2.71 115.58 126.43 1xa1 h ASN 109 Ca -0.27 0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.50 1xa1 h ASN 109 Cb 1.06 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.49 1xa1 h ASN 109 CO 1.21 0.11 -0.11 4.11 -1.65 0.00 0.00 177.43 181.11 1xa1 h TRP 110 N 0.41 0.53 -0.17 1.19 5.08 -1.98 -0.32 115.95 120.68 1xa1 h TRP 110 Ca 0.34 -0.08 0.03 0.00 1.08 0.00 0.00 58.89 60.27 1xa1 h TRP 110 Cb 0.47 -0.14 -0.03 0.00 -3.00 0.00 0.00 29.16 26.45 1xa1 h TRP 110 CO -0.18 0.59 -0.02 -0.92 -1.28 0.00 0.00 178.44 176.64 1xa1 h TYR 111 N 0.46 -0.04 0.00 0.12 5.03 -1.90 0.59 116.97 121.23 1xa1 h TYR 111 Ca 0.09 0.01 -0.14 0.00 2.58 0.00 0.00 58.73 61.27 1xa1 h TYR 111 Cb 0.47 0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.77 1xa1 h TYR 111 CO 0.02 -0.04 -0.68 0.74 -1.32 0.00 0.00 178.16 176.87 1xa1 h PHE 112 N 0.04 0.00 -0.68 -3.82 0.04 -1.46 -2.66 116.94 108.40 1xa1 h PHE 112 Ca 0.08 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.80 1xa1 h PHE 112 Cb 0.11 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 1xa1 h PHE 112 CO -0.18 0.68 0.23 0.93 -0.60 0.00 0.00 178.31 179.37 1xa1 h GLU 113 N 0.00 1.02 -0.74 1.51 5.08 -0.83 -0.78 114.58 119.84 1xa1 h GLU 113 Ca -0.01 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1xa1 h GLU 113 Cb 1.27 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 1xa1 h GLU 113 CO 0.09 0.86 0.32 0.00 -1.00 0.00 0.00 179.01 179.28 1xa1 h ARG 114 N 0.99 1.09 -0.22 2.33 -0.00 -0.66 -0.16 114.38 117.75 1xa1 h ARG 114 Ca 0.22 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.98 59.50 1xa1 h ARG 114 Cb 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 29.97 30.03 1xa1 h ARG 114 CO -0.01 0.87 0.05 0.82 0.00 0.00 0.00 179.97 181.69 1xa1 h ILE 115 N 1.07 1.21 -0.61 2.04 2.04 -1.16 -3.23 117.51 118.88 1xa1 h ILE 115 Ca 0.25 -0.70 -0.09 0.00 1.00 0.00 0.00 64.86 65.32 1xa1 h ILE 115 Cb 0.17 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1xa1 h ILE 115 CO -0.03 0.22 0.02 -1.28 0.00 0.00 0.00 178.15 177.08 1xa1 h SER 116 N 0.17 1.04 -0.87 1.72 0.87 -0.82 -2.54 113.55 113.13 1xa1 h SER 116 Ca 0.07 -0.30 0.23 0.00 -1.23 0.00 0.00 61.79 60.55 1xa1 h SER 116 Cb 0.29 -0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 61.92 1xa1 h SER 116 CO 0.00 1.09 0.60 0.44 -0.53 0.00 0.00 176.83 178.43 1xa1 h ASP 117 N 0.97 0.19 0.45 6.23 3.32 -1.05 0.40 116.42 126.93 1xa1 h ASP 117 Ca 0.17 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1xa1 h ASP 117 Cb 0.54 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1xa1 h ASP 117 CO 0.03 0.07 -0.25 0.00 -1.72 0.00 0.00 179.24 177.38 1xa1 n GLN 118 N -4.40 0.45 -3.54 3.56 6.02 -0.96 -4.86 117.38 113.64 1xa1 n GLN 118 Ca 0.18 -0.21 -0.38 0.00 -0.01 0.00 0.00 57.00 56.59 1xa1 n GLN 118 Cb 0.81 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.48 1xa1 n GLN 118 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1xa1 s ILE 119 N -2.70 5.29 0.42 5.09 1.01 0.13 -5.06 121.20 125.38 1xa1 s ILE 119 Ca 0.21 0.35 -0.26 0.00 0.00 0.00 0.00 60.65 60.95 1xa1 s ILE 119 Cb 0.19 -3.59 -0.09 0.00 0.01 0.00 0.00 42.46 38.98 1xa1 s ILE 119 CO 0.56 0.28 1.37 -2.84 0.00 0.00 0.00 174.94 174.30 1xa1 s PRO 120 N 1.42 3.89 0.26 2.79 0.02 -1.26 -4.91 135.00 137.21 1xa1 s PRO 120 Ca 0.11 2.29 -0.02 0.00 0.02 0.00 0.00 61.00 63.40 1xa1 s PRO 120 Cb -0.15 -2.75 0.54 0.00 0.02 0.00 0.00 34.50 32.16 1xa1 s PRO 120 CO 0.07 -0.60 1.70 -0.22 -0.33 0.00 0.00 177.00 177.62 1xa1 h LYS 121 N 2.61 0.33 -0.52 5.54 3.64 -1.97 -1.98 116.57 124.22 1xa1 h LYS 121 Ca -0.50 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 1xa1 h LYS 121 Cb 1.25 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 1xa1 h LYS 121 CO 0.62 0.22 0.23 -0.91 -2.27 0.00 0.00 179.45 177.35 1xa1 h ASN 122 N 0.34 0.66 -0.16 4.20 2.35 -1.99 -0.28 115.58 120.69 1xa1 h ASN 122 Ca 0.46 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 56.12 1xa1 h ASN 122 Cb 0.79 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 1xa1 h ASN 122 CO -0.50 0.58 0.00 0.22 -1.65 0.00 0.00 177.43 176.08 1xa1 h TYR 123 N 0.73 0.31 -0.35 1.19 5.03 -1.74 -2.69 116.97 119.45 1xa1 h TYR 123 Ca 0.18 -0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.43 1xa1 h TYR 123 Cb 0.10 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.28 1xa1 h TYR 123 CO 0.01 0.49 0.19 1.15 -1.32 0.00 0.00 178.16 178.68 1xa1 h THR 124 N 0.03 1.15 -0.84 1.81 2.02 -1.17 -1.12 112.91 114.79 1xa1 h THR 124 Ca 0.05 -0.39 0.11 0.00 0.77 0.00 0.00 66.41 66.95 1xa1 h THR 124 Cb 0.37 0.77 -0.08 0.00 -1.74 0.00 0.00 68.15 67.47 1xa1 h THR 124 CO 0.01 0.15 0.47 0.00 0.37 0.00 0.00 175.52 176.52 1xa1 h ALA 125 N 1.05 1.23 -0.49 6.16 0.00 -1.11 0.04 119.26 126.14 1xa1 h ALA 125 Ca 0.12 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1xa1 h ALA 125 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1xa1 h ALA 125 CO -0.02 0.04 -0.18 1.15 0.00 0.00 0.00 179.25 180.24 1xa1 h THR 126 N 0.74 1.27 -0.35 0.00 2.02 -1.07 -2.25 112.91 113.27 1xa1 h THR 126 Ca 0.43 -1.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.17 1xa1 h THR 126 Cb 0.47 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1xa1 h THR 126 CO -0.29 0.46 -0.16 1.56 0.37 0.00 0.00 175.52 177.47 1xa1 h GLN 127 N 0.85 0.72 -0.27 6.66 1.08 -0.43 -1.30 115.11 122.43 1xa1 h GLN 127 Ca 0.12 -0.31 -0.08 0.00 -1.45 0.00 0.00 58.65 56.93 1xa1 h GLN 127 Cb 0.75 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 1xa1 h GLN 127 CO 0.06 0.92 -0.17 -0.07 -0.95 0.00 0.00 178.83 178.61 1xa1 h LEU 128 N 0.51 0.47 -0.16 1.46 3.38 -0.98 0.61 115.31 120.61 1xa1 h LEU 128 Ca 0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1xa1 h LEU 128 Cb 0.69 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1xa1 h LEU 128 CO 0.05 0.66 0.05 0.50 0.09 0.00 0.00 178.44 179.79 1xa1 h LYS 129 N 0.44 0.24 -0.57 1.13 3.64 -1.26 -0.70 116.57 119.49 1xa1 h LYS 129 Ca 0.08 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 1xa1 h LYS 129 Cb 0.56 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1xa1 h LYS 129 CO 0.04 0.36 0.01 1.96 -2.27 0.00 0.00 179.45 179.55 1xa1 h GLN 130 N 0.07 0.98 0.00 1.90 4.20 -0.76 -2.70 115.11 118.80 1xa1 h GLN 130 Ca 0.05 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.47 1xa1 h GLN 130 Cb 0.22 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1xa1 h GLN 130 CO -0.00 0.96 -0.02 1.28 -0.67 0.00 0.00 178.83 180.37 1xa1 n LEU 131 N -4.19 0.05 -3.66 1.46 4.77 0.16 -4.94 117.00 110.65 1xa1 n LEU 131 Ca 0.03 0.48 -0.21 0.00 -0.03 0.00 0.00 56.01 56.28 1xa1 n LEU 131 Cb 0.33 -0.48 0.04 0.00 -2.33 0.00 0.00 43.42 40.97 1xa1 n LEU 131 CO 0.43 0.00 -0.05 0.59 -1.33 0.00 0.00 177.39 177.04 1xa1 n ASN 132 N -1.52 -1.49 -4.55 -1.43 5.03 -0.55 -4.73 115.26 106.02 1xa1 n ASN 132 Ca 0.07 -0.80 -0.42 0.00 0.87 0.00 0.00 54.58 54.29 1xa1 n ASN 132 Cb 0.34 -4.18 -0.02 0.00 -1.02 0.00 0.00 39.78 34.90 1xa1 n ASN 132 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1xa1 s TYR 133 N -3.63 2.77 0.00 3.10 5.04 -0.38 -4.92 117.35 119.34 1xa1 s TYR 133 Ca 0.03 -1.31 0.00 0.00 -2.44 0.00 0.00 57.07 53.34 1xa1 s TYR 133 Cb -0.01 -4.65 0.00 0.00 0.35 0.00 0.00 41.96 37.65 1xa1 s TYR 133 CO 0.80 -1.80 0.00 0.41 -1.34 0.00 0.00 175.55 173.62 1xa1 n GLY 134 N 5.93 2.97 0.01 8.97 0.00 -1.26 -1.99 105.19 119.82 1xa1 n GLY 134 Ca 0.39 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1xa1 n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xa1 n ASN 135 N 0.94 0.07 -2.18 1.61 0.23 -0.49 -4.90 115.26 110.54 1xa1 n ASN 135 Ca 0.00 0.51 -0.18 0.00 -0.53 0.00 0.00 54.58 54.38 1xa1 n ASN 135 Cb 0.00 -0.53 -0.03 0.00 -2.08 0.00 0.00 39.78 37.15 1xa1 n ASN 135 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1xa1 n LYS 136 N -1.57 -1.73 -3.08 -3.83 5.02 -0.84 -4.91 118.16 107.21 1xa1 n LYS 136 Ca 0.05 0.94 -0.44 0.00 -2.02 0.00 0.00 58.31 56.85 1xa1 n LYS 136 Cb 0.28 -5.51 -0.06 0.00 -0.02 0.00 0.00 35.03 29.72 1xa1 n LYS 136 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1xa1 s ASN 137 N -2.18 6.25 0.15 4.39 3.84 -1.26 -4.91 114.94 121.22 1xa1 s ASN 137 Ca 0.00 -0.80 0.25 0.00 0.21 0.00 0.00 52.86 52.52 1xa1 s ASN 137 Cb 0.00 -2.32 0.62 0.00 -0.55 0.00 0.00 41.25 38.99 1xa1 s ASN 137 CO 0.00 -0.98 1.57 0.18 -2.79 0.00 0.00 177.10 175.08 1xa1 n LEU 138 N 6.48 0.71 0.00 3.21 4.77 -1.26 -2.21 117.00 128.70 1xa1 n LEU 138 Ca -0.05 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1xa1 n LEU 138 Cb 0.46 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1xa1 n LEU 138 CO 0.56 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1xa1 n GLY 139 N 1.34 2.99 0.00 -0.72 0.00 -1.26 -0.52 105.19 107.02 1xa1 n GLY 139 Ca 0.05 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 45.87 1xa1 n GLY 139 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xa1 n SER 140 N 1.39 0.00 -3.71 1.61 3.41 -1.26 -4.89 113.62 110.17 1xa1 n SER 140 Ca 0.00 -0.68 -0.25 0.00 -0.26 0.00 0.00 58.87 57.68 1xa1 n SER 140 Cb 0.00 -0.03 0.05 0.00 -0.26 0.00 0.00 64.21 63.98 1xa1 n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xa1 n TYR 141 N -1.03 -2.37 0.00 7.33 -0.00 0.32 -4.98 117.16 116.44 1xa1 n TYR 141 Ca 0.17 0.93 0.00 0.00 -0.00 0.00 0.00 57.90 59.00 1xa1 n TYR 141 Cb 0.09 -4.54 0.00 0.00 -0.00 0.00 0.00 39.34 34.89 1xa1 n TYR 141 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1xa1 n LYS 142 N -4.61 0.00 -2.28 2.98 4.76 -1.26 -4.86 118.16 112.88 1xa1 n LYS 142 Ca -0.09 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.93 1xa1 n LYS 142 Cb 0.59 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 1xa1 n LYS 142 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1xa1 n SER 143 N 0.00 6.62 0.19 4.39 3.41 -1.26 -4.76 113.62 122.21 1xa1 n SER 143 Ca 0.00 -3.20 0.14 0.00 -0.26 0.00 0.00 58.87 55.55 1xa1 n SER 143 Cb 0.00 -1.38 0.68 0.00 -0.26 0.00 0.00 64.21 63.25 1xa1 n SER 143 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1xa1 h TYR 144 N 5.12 0.00 -0.01 7.33 -0.00 -1.89 -1.67 116.97 125.86 1xa1 h TYR 144 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.24 1xa1 h TYR 144 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.20 1xa1 h TYR 144 CO 1.38 0.00 -0.51 -2.67 -0.00 0.00 0.00 178.16 176.36 1xa1 n TRP 145 N -2.46 0.00 -3.52 0.10 2.14 -1.26 -2.50 117.44 109.93 1xa1 n TRP 145 Ca -0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 1xa1 n TRP 145 Cb 0.11 -0.09 -0.07 0.00 -0.81 0.00 0.00 31.31 30.44 1xa1 n TRP 145 CO 0.00 0.00 0.00 -1.64 2.07 0.00 0.00 177.69 178.12 1xa1 s MET 146 N -2.69 2.70 -1.43 -2.67 -1.94 -0.63 -0.84 119.30 111.80 1xa1 s MET 146 Ca 0.17 -1.98 -0.03 0.00 -1.71 0.00 0.00 55.69 52.14 1xa1 s MET 146 Cb 0.18 -4.00 0.00 0.00 2.01 0.00 0.00 34.83 33.02 1xa1 s MET 146 CO 0.64 -1.22 0.30 0.39 -0.01 0.00 0.00 175.02 175.12 1xa1 n GLU 147 N 4.59 -2.13 0.00 2.03 -0.58 -1.26 -4.91 120.64 118.38 1xa1 n GLU 147 Ca -0.03 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 1xa1 n GLU 147 Cb 0.41 -4.03 0.00 0.00 -0.57 0.00 0.00 31.44 27.25 1xa1 n GLU 147 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1xa1 n ASP 148 N -2.88 0.00 0.07 1.62 2.03 -1.26 -5.07 116.55 111.05 1xa1 n ASP 148 Ca -0.29 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 54.84 1xa1 n ASP 148 Cb 0.68 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.99 1xa1 n ASP 148 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1xa1 h SER 149 N 0.00 0.69 -3.45 1.67 4.64 -1.80 -3.45 113.55 111.86 1xa1 h SER 149 Ca 0.00 -0.59 -0.53 0.00 -0.47 0.00 0.00 61.79 60.19 1xa1 h SER 149 Cb 0.00 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 1xa1 h SER 149 CO 0.00 1.40 0.38 -0.22 -0.87 0.00 0.00 176.83 177.53 1xa1 s LEU 150 N -7.79 4.41 0.01 5.97 2.96 -0.94 -4.62 118.68 118.68 1xa1 s LEU 150 Ca -0.07 1.74 -0.02 0.00 -0.22 0.00 0.00 54.13 55.56 1xa1 s LEU 150 Cb 0.07 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.18 1xa1 s LEU 150 CO 0.90 -0.22 0.02 -0.54 -1.32 0.00 0.00 176.35 175.19 1xa1 s LYS 151 N 0.67 0.25 0.01 1.98 1.02 -1.26 -4.09 119.74 118.31 1xa1 s LYS 151 Ca 0.51 -0.35 -0.12 0.00 0.02 0.00 0.00 55.97 56.03 1xa1 s LYS 151 Cb -0.23 0.10 0.01 0.00 -0.52 0.00 0.00 37.83 37.19 1xa1 s LYS 151 CO 0.29 -0.05 0.24 -1.50 -0.92 0.00 0.00 175.35 173.41 1xa1 s ILE 152 N -0.95 0.08 0.46 2.17 2.07 0.04 -1.39 121.20 123.68 1xa1 s ILE 152 Ca -0.10 -0.65 0.01 0.00 -1.41 0.00 0.00 60.65 58.50 1xa1 s ILE 152 Cb -0.06 -0.67 0.00 0.00 0.13 0.00 0.00 42.46 41.86 1xa1 s ILE 152 CO -0.00 -0.36 0.67 -0.94 -1.91 0.00 0.00 174.94 172.40 1xa1 s SER 153 N -1.60 5.72 0.16 4.50 1.04 -1.26 -1.01 113.70 121.26 1xa1 s SER 153 Ca -0.11 0.16 -0.12 0.00 0.48 0.00 0.00 55.95 56.35 1xa1 s SER 153 Cb -0.04 -1.33 0.05 0.00 0.10 0.00 0.00 66.02 64.79 1xa1 s SER 153 CO 0.01 -0.78 1.68 -1.13 0.98 0.00 0.00 173.24 174.00 1xa1 h ASN 154 N 0.38 0.83 -0.29 7.02 -0.00 -1.52 -0.08 115.58 121.91 1xa1 h ASN 154 Ca -0.45 -0.23 0.00 0.00 -0.00 0.00 0.00 56.30 55.62 1xa1 h ASN 154 Cb 1.26 -0.22 -0.01 0.00 -0.00 0.00 0.00 38.32 39.35 1xa1 h ASN 154 CO 0.55 0.84 0.19 0.25 -0.00 0.00 0.00 177.43 179.26 1xa1 h LEU 155 N 0.78 0.34 -1.40 0.34 5.85 -1.38 -2.61 115.31 117.24 1xa1 h LEU 155 Ca 0.17 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1xa1 h LEU 155 Cb 0.33 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1xa1 h LEU 155 CO -0.00 0.27 0.31 -0.33 -0.34 0.00 0.00 178.44 178.35 1xa1 h GLU 156 N 0.38 0.72 -0.86 1.25 5.08 -1.69 -1.84 114.58 117.62 1xa1 h GLU 156 Ca 0.11 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1xa1 h GLU 156 Cb -0.02 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.03 1xa1 h GLU 156 CO -0.02 0.51 0.57 1.96 -1.00 0.00 0.00 179.01 181.03 1xa1 h GLN 157 N 0.74 1.03 0.04 2.33 1.08 -0.63 0.13 115.11 119.83 1xa1 h GLN 157 Ca 0.19 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1xa1 h GLN 157 Cb -0.02 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.18 1xa1 h GLN 157 CO -0.04 0.68 -0.02 0.28 -0.95 0.00 0.00 178.83 178.79 1xa1 h VAL 158 N 1.06 1.35 -0.11 -0.54 2.07 -1.30 -2.82 116.25 115.96 1xa1 h VAL 158 Ca 0.35 -1.45 0.01 0.00 0.82 0.00 0.00 66.70 66.43 1xa1 h VAL 158 Cb 0.05 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1xa1 h VAL 158 CO -0.11 0.36 0.03 0.40 0.02 0.00 0.00 177.57 178.27 1xa1 h ILE 159 N -0.72 0.96 -0.13 4.57 2.04 -0.99 -0.62 117.51 122.63 1xa1 h ILE 159 Ca -0.01 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1xa1 h ILE 159 Cb 0.63 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1xa1 h ILE 159 CO 0.01 0.01 0.08 0.58 0.00 0.00 0.00 178.15 178.83 1xa1 h VAL 160 N 0.08 1.07 -0.16 1.67 2.07 -0.88 -0.49 116.25 119.62 1xa1 h VAL 160 Ca 0.05 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1xa1 h VAL 160 Cb 0.03 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1xa1 h VAL 160 CO -0.06 0.07 0.02 0.15 0.02 0.00 0.00 177.57 177.77 1xa1 h PHE 161 N 0.13 0.28 -0.49 1.57 -0.00 -1.46 0.44 116.94 117.41 1xa1 h PHE 161 Ca 0.05 -0.04 0.06 0.00 -0.00 0.00 0.00 57.97 58.03 1xa1 h PHE 161 Cb 0.04 -0.08 -0.05 0.00 -0.00 0.00 0.00 35.95 35.87 1xa1 h PHE 161 CO -0.05 0.44 0.21 -0.22 -0.00 0.00 0.00 178.31 178.70 1xa1 h LYS 162 N 0.04 0.41 -0.32 1.11 3.11 -1.07 -1.63 116.57 118.22 1xa1 h LYS 162 Ca 0.05 -0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 57.81 1xa1 h LYS 162 Cb 0.32 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.44 1xa1 h LYS 162 CO 0.00 0.27 -0.02 -0.91 -2.81 0.00 0.00 179.45 175.98 1xa1 h ASN 163 N 0.42 0.57 -0.68 4.20 2.35 -0.92 0.20 115.58 121.73 1xa1 h ASN 163 Ca 0.23 -0.32 0.07 0.00 -0.55 0.00 0.00 56.30 55.72 1xa1 h ASN 163 Cb 0.19 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.35 1xa1 h ASN 163 CO -0.20 0.76 0.37 -0.03 -1.65 0.00 0.00 177.43 176.68 1xa1 h MET 164 N 0.37 0.64 0.07 0.81 4.05 -0.66 -1.94 114.93 118.28 1xa1 h MET 164 Ca 0.09 -0.04 -0.27 0.00 -0.28 0.00 0.00 59.70 59.20 1xa1 h MET 164 Cb 0.48 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 1xa1 h MET 164 CO 0.02 0.43 -1.34 0.52 0.23 0.00 0.00 176.91 176.77 1xa1 h MET 165 N 0.66 0.15 0.00 0.39 2.86 -1.03 -3.40 114.93 114.57 1xa1 h MET 165 Ca 0.31 -0.26 -0.35 0.00 -2.06 0.00 0.00 59.70 57.34 1xa1 h MET 165 Cb 0.23 0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.92 1xa1 h MET 165 CO -0.20 1.03 -2.34 0.39 1.06 0.00 0.00 176.91 176.84 1xa1 n GLU 166 N -3.39 0.78 -2.22 1.72 -0.58 0.68 -4.97 120.64 112.67 1xa1 n GLU 166 Ca -0.10 -0.01 -0.36 0.00 -0.42 0.00 0.00 57.16 56.27 1xa1 n GLU 166 Cb 1.01 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.38 1xa1 n GLU 166 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1xa1 s GLN 167 N -2.50 3.46 -1.29 3.49 -0.21 -0.74 -4.89 119.66 116.98 1xa1 s GLN 167 Ca -0.10 1.71 -0.18 0.00 0.02 0.00 0.00 55.36 56.82 1xa1 s GLN 167 Cb 0.06 -2.15 0.02 0.00 1.00 0.00 0.00 33.01 31.94 1xa1 s GLN 167 CO 0.81 -0.79 1.92 -1.71 -2.12 0.00 0.00 175.29 173.40 1xa1 n ASN 168 N -1.02 4.22 -2.63 5.90 5.15 -1.26 -4.85 115.26 120.76 1xa1 n ASN 168 Ca 0.10 -2.85 -0.10 0.00 -0.60 0.00 0.00 54.58 51.13 1xa1 n ASN 168 Cb 0.50 -1.67 -0.02 0.00 -0.53 0.00 0.00 39.78 38.05 1xa1 n ASN 168 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1xa1 n ASN 169 N 8.46 1.79 -0.14 1.20 2.04 -1.26 -5.06 115.26 122.30 1xa1 n ASN 169 Ca 0.49 -1.77 0.15 0.00 -0.44 0.00 0.00 54.58 53.02 1xa1 n ASN 169 Cb 0.44 0.24 0.80 0.00 -2.53 0.00 0.00 39.78 38.72 1xa1 n ASN 169 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1xa1 n HIS 170 N -0.38 0.00 -2.93 -2.53 1.44 -1.26 -4.76 115.22 104.80 1xa1 n HIS 170 Ca -0.05 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.26 1xa1 n HIS 170 Cb 0.22 -0.03 -0.04 0.00 0.12 0.00 0.00 29.99 30.25 1xa1 n HIS 170 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1xa1 s PHE 171 N -2.08 3.60 0.63 -1.40 0.40 -1.26 -5.02 117.98 112.85 1xa1 s PHE 171 Ca 0.42 1.40 -0.18 0.00 -0.60 0.00 0.00 56.93 57.97 1xa1 s PHE 171 Cb 0.21 -2.91 -0.02 0.00 0.51 0.00 0.00 43.02 40.81 1xa1 s PHE 171 CO 0.38 0.05 1.28 -1.54 0.70 0.00 0.00 175.22 176.08 1xa1 s SER 172 N 0.88 4.78 0.25 1.36 1.04 -1.26 -4.85 113.70 115.89 1xa1 s SER 172 Ca 0.42 2.57 -0.04 0.00 0.48 0.00 0.00 55.95 59.39 1xa1 s SER 172 Cb -0.19 -2.61 0.41 0.00 0.10 0.00 0.00 66.02 63.73 1xa1 s SER 172 CO 0.21 -1.88 1.82 0.50 0.98 0.00 0.00 173.24 174.87 1xa1 h LYS 173 N 0.68 0.82 -0.60 4.02 3.64 -1.95 -1.54 116.57 121.64 1xa1 h LYS 173 Ca -0.51 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 58.91 1xa1 h LYS 173 Cb 1.33 -0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 32.89 1xa1 h LYS 173 CO 0.54 0.54 0.24 0.87 -2.27 0.00 0.00 179.45 179.37 1xa1 h LYS 174 N 0.84 0.43 -0.16 1.90 1.57 -1.99 0.23 116.57 119.39 1xa1 h LYS 174 Ca 0.41 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.12 1xa1 h LYS 174 Cb 0.36 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1xa1 h LYS 174 CO -0.24 0.28 -0.06 0.00 -0.57 0.00 0.00 179.45 178.87 1xa1 h ALA 175 N 1.39 0.22 -0.66 3.86 0.00 -1.80 -0.90 119.26 121.37 1xa1 h ALA 175 Ca 0.29 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 55.02 1xa1 h ALA 175 Cb 0.33 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1xa1 h ALA 175 CO -0.27 0.00 0.34 0.87 0.00 0.00 0.00 179.25 180.19 1xa1 h LYS 176 N 0.01 0.59 -0.65 0.00 1.57 -1.01 -0.50 116.57 116.57 1xa1 h LYS 176 Ca 0.04 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1xa1 h LYS 176 Cb 0.51 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1xa1 h LYS 176 CO 0.02 0.39 0.08 -0.97 -0.57 0.00 0.00 179.45 178.40 1xa1 h ASN 177 N 0.60 1.06 -0.19 0.86 -1.24 -0.78 0.35 115.58 116.25 1xa1 h ASN 177 Ca 0.31 -0.27 -0.18 0.00 0.71 0.00 0.00 56.30 56.87 1xa1 h ASN 177 Cb 0.27 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 39.03 1xa1 h ASN 177 CO -0.22 1.06 -0.57 -0.61 -1.29 0.00 0.00 177.43 175.80 1xa1 h GLN 178 N 1.02 0.79 -0.20 6.67 4.15 -0.76 -1.76 115.11 125.03 1xa1 h GLN 178 Ca 0.20 -0.52 -0.01 0.00 0.77 0.00 0.00 58.65 59.09 1xa1 h GLN 178 Cb 0.47 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 1xa1 h GLN 178 CO 0.02 1.15 0.08 1.25 -1.93 0.00 0.00 178.83 179.40 1xa1 h LEU 179 N 0.60 0.27 -0.60 -2.39 5.85 -0.94 -2.45 115.31 115.65 1xa1 h LEU 179 Ca 0.01 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.64 1xa1 h LEU 179 Cb 1.17 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.07 1xa1 h LEU 179 CO 0.12 0.35 0.28 0.28 -0.34 0.00 0.00 178.44 179.14 1xa1 h SER 180 N 0.17 0.38 -0.94 1.25 0.02 -0.77 -2.10 113.55 111.56 1xa1 h SER 180 Ca 0.07 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.11 1xa1 h SER 180 Cb 0.16 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.63 1xa1 h SER 180 CO -0.01 0.24 0.61 0.28 -1.14 0.00 0.00 176.83 176.82 1xa1 h SER 181 N 0.52 0.99 0.93 3.07 0.02 -1.14 -1.12 113.55 116.83 1xa1 h SER 181 Ca 0.28 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1xa1 h SER 181 Cb 0.25 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1xa1 h SER 181 CO -0.22 0.66 0.00 0.77 -1.14 0.00 0.00 176.83 176.90 1xa1 h SER 182 N 1.13 0.00 -0.02 3.07 4.64 -0.90 -3.10 113.55 118.37 1xa1 h SER 182 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1xa1 h SER 182 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1xa1 h SER 182 CO -0.13 0.00 -0.24 0.18 -0.87 0.00 0.00 176.83 175.76 1xa1 n LEU 183 N -3.03 2.19 -4.68 5.97 4.77 -0.46 -4.40 117.00 117.36 1xa1 n LEU 183 Ca 0.00 -0.86 -0.42 0.00 -0.03 0.00 0.00 56.01 54.70 1xa1 n LEU 183 Cb 0.28 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 1xa1 n LEU 183 CO 0.26 0.39 1.29 -0.22 -1.33 0.00 0.00 177.39 177.78 1xa1 s LEU 184 N -2.04 4.34 -0.17 2.23 2.96 -1.01 -1.17 118.68 123.82 1xa1 s LEU 184 Ca 0.19 2.31 -0.04 0.00 -0.22 0.00 0.00 54.13 56.37 1xa1 s LEU 184 Cb 0.16 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 43.21 1xa1 s LEU 184 CO 0.40 -0.86 -0.19 -0.38 -1.32 0.00 0.00 176.35 174.00 1xa1 n ILE 185 N 4.96 0.94 -3.95 6.68 5.41 0.14 -4.94 119.36 128.59 1xa1 n ILE 185 Ca 0.16 -0.29 -0.13 0.00 1.00 0.00 0.00 62.75 63.48 1xa1 n ILE 185 Cb 0.42 -1.43 -0.14 0.00 -0.71 0.00 0.00 39.64 37.79 1xa1 n ILE 185 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1xa1 s LYS 186 N -2.32 0.14 -0.02 0.38 2.20 -0.88 -5.00 119.74 114.24 1xa1 s LYS 186 Ca -0.23 -0.10 -0.01 0.00 -0.36 0.00 0.00 55.97 55.26 1xa1 s LYS 186 Cb 0.08 -0.10 0.01 0.00 -1.51 0.00 0.00 37.83 36.31 1xa1 s LYS 186 CO 0.34 0.03 0.05 0.21 -0.36 0.00 0.00 175.35 175.61 1xa1 s LYS 187 N -0.16 0.04 0.08 4.03 2.20 -1.26 -0.18 119.74 124.48 1xa1 s LYS 187 Ca -0.01 0.11 -0.02 0.00 -0.36 0.00 0.00 55.97 55.70 1xa1 s LYS 187 Cb -0.01 -0.05 0.01 0.00 -1.51 0.00 0.00 37.83 36.26 1xa1 s LYS 187 CO -0.00 -0.05 0.14 -1.71 -0.36 0.00 0.00 175.35 173.36 1xa1 n ASN 188 N 3.39 -0.40 0.23 1.43 4.05 -0.35 -5.02 115.26 118.60 1xa1 n ASN 188 Ca -0.17 -1.37 0.10 0.00 0.45 0.00 0.00 54.58 53.59 1xa1 n ASN 188 Cb 0.57 0.69 0.52 0.00 1.23 0.00 0.00 39.78 42.79 1xa1 n ASN 188 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 1xa1 h GLU 189 N 0.00 0.00 0.01 1.20 3.07 -2.01 -3.21 114.58 113.64 1xa1 h GLU 189 Ca -0.07 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.50 1xa1 h GLU 189 Cb 0.26 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.12 1xa1 h GLU 189 CO 0.09 0.22 -1.72 1.63 -1.40 0.00 0.00 179.01 177.82 1xa1 n LYS 190 N -3.51 0.64 -3.67 2.33 5.02 -1.26 -4.91 118.16 112.80 1xa1 n LYS 190 Ca -0.01 0.30 -0.06 0.00 -2.02 0.00 0.00 58.31 56.52 1xa1 n LYS 190 Cb 0.38 -1.79 -0.02 0.00 -0.02 0.00 0.00 35.03 33.58 1xa1 n LYS 190 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1xa1 s TYR 191 N -2.60 -0.24 -0.14 2.13 1.13 -1.21 -4.00 117.35 112.43 1xa1 s TYR 191 Ca -0.05 -0.04 -0.01 0.00 -1.41 0.00 0.00 57.07 55.56 1xa1 s TYR 191 Cb 0.08 0.62 0.03 0.00 -1.10 0.00 0.00 41.96 41.59 1xa1 s TYR 191 CO 0.82 -0.82 -0.06 -2.00 -2.51 0.00 0.00 175.55 170.98 1xa1 s GLU 192 N -3.39 1.40 -0.14 -3.49 2.12 -0.34 -1.21 118.70 113.65 1xa1 s GLU 192 Ca 0.09 -0.35 -0.01 0.00 0.36 0.00 0.00 54.97 55.06 1xa1 s GLU 192 Cb -0.02 -1.75 -0.02 0.00 0.26 0.00 0.00 34.13 32.60 1xa1 s GLU 192 CO -0.02 -0.35 -0.10 -1.17 -0.54 0.00 0.00 175.26 173.09 1xa1 s LEU 193 N 1.70 2.90 0.06 2.70 2.96 0.75 -1.02 118.68 128.73 1xa1 s LEU 193 Ca 0.03 -0.27 0.08 0.00 -0.22 0.00 0.00 54.13 53.76 1xa1 s LEU 193 Cb -0.14 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 1xa1 s LEU 193 CO -0.08 0.16 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.57 1xa1 s TYR 194 N 0.40 1.97 0.00 5.38 2.02 -0.06 -0.69 117.35 126.38 1xa1 s TYR 194 Ca -0.08 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.23 1xa1 s TYR 194 Cb -0.15 -1.15 0.00 0.00 -0.40 0.00 0.00 41.96 40.26 1xa1 s TYR 194 CO 0.04 0.15 0.00 0.41 -1.57 0.00 0.00 175.55 174.58 1xa1 n GLY 195 N 1.58 -0.71 2.95 0.71 0.00 -0.32 -1.54 105.19 107.86 1xa1 n GLY 195 Ca -0.18 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 1xa1 n GLY 195 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xa1 s LYS 196 N -2.00 0.11 0.52 1.61 2.47 0.10 -4.80 119.74 117.75 1xa1 s LYS 196 Ca 0.00 0.27 -0.09 0.00 -1.56 0.00 0.00 55.97 54.59 1xa1 s LYS 196 Cb 0.00 -0.07 -0.05 0.00 -1.46 0.00 0.00 37.83 36.26 1xa1 s LYS 196 CO 0.00 -0.10 0.88 0.95 0.16 0.00 0.00 175.35 177.24 1xa1 s THR 197 N 0.66 4.79 -0.06 3.43 -4.23 -1.26 -1.95 115.64 117.02 1xa1 s THR 197 Ca -0.05 0.57 -0.10 0.00 -1.18 0.00 0.00 61.69 60.93 1xa1 s THR 197 Cb -0.07 -3.84 0.02 0.00 1.34 0.00 0.00 72.50 69.96 1xa1 s THR 197 CO -0.03 -0.89 0.25 -0.83 -0.54 0.00 0.00 174.62 172.58 1xa1 s GLY 198 N -3.90 -0.14 -0.08 3.99 0.00 -0.70 -3.29 107.32 103.20 1xa1 s GLY 198 Ca 0.51 0.48 -0.04 0.00 0.00 0.00 0.00 44.72 45.67 1xa1 s GLY 198 CO 0.45 0.34 0.19 -1.59 0.00 0.00 0.00 173.10 172.49 1xa1 s THR 199 N -0.51 -0.04 -0.14 0.90 2.01 -1.26 -0.81 115.64 115.79 1xa1 s THR 199 Ca -0.06 0.15 -0.02 0.00 0.31 0.00 0.00 61.69 62.07 1xa1 s THR 199 Cb -0.04 -0.30 -0.02 0.00 0.01 0.00 0.00 72.50 72.15 1xa1 s THR 199 CO 0.02 0.06 -0.07 -0.83 -0.69 0.00 0.00 174.62 173.11 1xa1 s GLY 200 N 1.13 1.67 -0.12 4.40 0.00 0.38 -4.73 107.32 110.05 1xa1 s GLY 200 Ca -0.09 -0.84 0.03 0.00 0.00 0.00 0.00 44.72 43.82 1xa1 s GLY 200 CO -0.07 -0.16 -0.20 -0.42 0.00 0.00 0.00 173.10 172.25 1xa1 s ILE 201 N 0.24 1.86 0.00 0.90 1.01 -1.26 -1.67 121.20 122.29 1xa1 s ILE 201 Ca -0.05 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1xa1 s ILE 201 Cb -0.14 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.68 1xa1 s ILE 201 CO 0.04 0.51 0.00 1.33 0.00 0.00 0.00 174.94 176.82 1xa1 n VAL 202 N 3.96 0.00 -1.77 2.92 0.24 -1.26 -4.99 118.33 117.43 1xa1 n VAL 202 Ca -0.20 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.34 61.43 1xa1 n VAL 202 Cb 0.52 0.80 -0.03 0.00 -1.47 0.00 0.00 33.84 33.66 1xa1 n VAL 202 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1xa1 s TYR 206 N -0.95 2.94 0.00 6.34 2.02 -1.26 -5.18 117.35 121.25 1xa1 s TYR 206 Ca 0.00 0.41 0.00 0.00 -0.37 0.00 0.00 57.07 57.11 1xa1 s TYR 206 Cb 0.00 -4.09 0.00 0.00 -0.40 0.00 0.00 41.96 37.47 1xa1 s TYR 206 CO 0.00 -4.12 0.28 0.27 -1.57 0.00 0.00 175.55 170.41 1xa1 n ASN 207 N 3.96 0.00 -3.07 2.29 6.94 -0.67 -4.58 115.26 120.14 1xa1 n ASN 207 Ca 0.15 -1.00 0.04 0.00 -0.02 0.00 0.00 54.58 53.76 1xa1 n ASN 207 Cb 0.36 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.78 1xa1 n ASN 207 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1xa1 s ASN 208 N 0.00 -0.59 -0.08 0.53 2.47 -1.10 -4.73 114.94 111.44 1xa1 s ASN 208 Ca 0.00 -0.03 0.02 0.00 0.42 0.00 0.00 52.86 53.27 1xa1 s ASN 208 Cb 0.00 1.19 -0.02 0.00 -1.45 0.00 0.00 41.25 40.97 1xa1 s ASN 208 CO 0.00 -0.10 -0.12 -0.83 -3.72 0.00 0.00 177.10 172.33 1xa1 s GLY 209 N 2.66 1.57 0.05 1.21 0.00 -0.68 -0.47 107.32 111.66 1xa1 s GLY 209 Ca 0.22 -0.93 0.05 0.00 0.00 0.00 0.00 44.72 44.06 1xa1 s GLY 209 CO -0.21 -0.55 -0.15 -0.98 0.00 0.00 0.00 173.10 171.21 1xa1 s TRP 210 N -0.38 1.33 -0.05 1.90 0.52 0.01 -0.90 118.94 121.36 1xa1 s TRP 210 Ca 0.04 -0.38 -0.02 0.00 0.02 0.00 0.00 56.10 55.76 1xa1 s TRP 210 Cb -0.12 -0.78 0.04 0.00 -1.15 0.00 0.00 33.47 31.46 1xa1 s TRP 210 CO 0.02 0.06 0.09 0.12 0.02 0.00 0.00 176.95 177.26 1xa1 s PHE 211 N -0.94 -0.04 -0.07 -1.98 5.36 -0.47 -1.71 117.98 118.12 1xa1 s PHE 211 Ca 0.02 0.37 0.04 0.00 -0.96 0.00 0.00 56.93 56.40 1xa1 s PHE 211 Cb -0.08 -0.33 -0.00 0.00 -0.34 0.00 0.00 43.02 42.26 1xa1 s PHE 211 CO 0.02 -0.20 -0.21 0.08 -1.46 0.00 0.00 175.22 173.46 1xa1 s VAL 212 N 1.93 1.75 0.00 3.12 1.01 -0.82 -0.93 120.40 126.45 1xa1 s VAL 212 Ca 0.01 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1xa1 s VAL 212 Cb -0.12 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1xa1 s VAL 212 CO -0.04 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1xa1 n GLY 213 N 3.39 1.53 3.29 4.51 0.00 -0.31 -0.72 105.19 116.88 1xa1 n GLY 213 Ca -0.19 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 1xa1 n GLY 213 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xa1 s TYR 214 N -2.51 -0.14 -0.03 1.61 1.13 -0.59 -1.19 117.35 115.63 1xa1 s TYR 214 Ca 0.00 -0.11 0.02 0.00 -1.41 0.00 0.00 57.07 55.57 1xa1 s TYR 214 Cb 0.00 0.16 0.01 0.00 -1.10 0.00 0.00 41.96 41.04 1xa1 s TYR 214 CO 0.00 -0.61 -0.06 0.54 -2.51 0.00 0.00 175.55 172.91 1xa1 s VAL 215 N -3.30 0.60 -0.24 -3.49 0.11 0.55 -0.88 120.40 113.75 1xa1 s VAL 215 Ca 0.00 -0.21 -0.09 0.00 -2.93 0.00 0.00 61.98 58.75 1xa1 s VAL 215 Cb 0.01 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 1xa1 s VAL 215 CO -0.08 0.22 0.12 -0.63 -3.33 0.00 0.00 175.10 171.39 1xa1 s ILE 216 N 0.55 4.94 0.42 7.04 1.01 -0.19 -0.76 121.20 134.21 1xa1 s ILE 216 Ca -0.08 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.64 1xa1 s ILE 216 Cb -0.11 -3.30 0.03 0.00 0.01 0.00 0.00 42.46 39.09 1xa1 s ILE 216 CO 0.00 0.35 0.24 0.35 0.00 0.00 0.00 174.94 175.88 1xa1 n THR 217 N 4.41 0.00 0.33 2.92 -2.24 -0.23 -1.20 114.28 118.28 1xa1 n THR 217 Ca -0.15 -1.74 0.15 0.00 -2.27 0.00 0.00 64.05 60.03 1xa1 n THR 217 Cb 0.52 0.00 0.62 0.00 -2.10 0.00 0.00 70.33 69.37 1xa1 n THR 217 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1xa1 h ASN 218 N 0.63 0.00 0.00 3.42 2.35 -1.91 -3.33 115.58 116.73 1xa1 h ASN 218 Ca -0.29 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.46 1xa1 h ASN 218 Cb 0.99 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.36 1xa1 h ASN 218 CO 0.46 0.00 -1.08 1.41 -1.65 0.00 0.00 177.43 176.56 1xa1 n HIS 219 N -2.62 0.00 -3.81 1.19 8.25 -1.26 -5.11 115.22 111.86 1xa1 n HIS 219 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 1xa1 n HIS 219 Cb 0.23 -0.04 0.02 0.00 1.12 0.00 0.00 29.99 31.32 1xa1 n HIS 219 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1xa1 n ASP 220 N -1.60 -2.11 -3.78 0.41 4.64 -1.25 -4.95 116.55 107.91 1xa1 n ASP 220 Ca -0.00 -2.60 -0.18 0.00 -1.38 0.00 0.00 54.79 50.62 1xa1 n ASP 220 Cb 0.08 3.55 -0.17 0.00 -1.04 0.00 0.00 41.12 43.54 1xa1 n ASP 220 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 1xa1 s LYS 221 N -2.19 0.28 -0.08 -0.67 2.20 -1.26 -1.07 119.74 116.94 1xa1 s LYS 221 Ca 0.17 0.14 0.04 0.00 -0.36 0.00 0.00 55.97 55.97 1xa1 s LYS 221 Cb -0.04 -0.56 -0.01 0.00 -1.51 0.00 0.00 37.83 35.71 1xa1 s LYS 221 CO 0.13 -0.20 -0.23 0.71 -0.36 0.00 0.00 175.35 175.40 1xa1 s TYR 222 N 1.39 2.55 -0.00 4.03 2.02 0.06 -1.56 117.35 125.84 1xa1 s TYR 222 Ca -0.05 -0.83 -0.12 0.00 -0.37 0.00 0.00 57.07 55.70 1xa1 s TYR 222 Cb -0.13 -1.68 -0.05 0.00 -0.40 0.00 0.00 41.96 39.70 1xa1 s TYR 222 CO -0.03 -0.29 0.36 0.71 -1.57 0.00 0.00 175.55 174.74 1xa1 s TYR 223 N 0.09 3.67 0.15 2.71 1.51 -0.50 -0.33 117.35 124.64 1xa1 s TYR 223 Ca -0.10 0.86 -0.15 0.00 -1.01 0.00 0.00 57.07 56.66 1xa1 s TYR 223 Cb -0.16 -2.19 0.03 0.00 -0.11 0.00 0.00 41.96 39.53 1xa1 s TYR 223 CO 0.06 0.63 0.41 -0.59 -1.11 0.00 0.00 175.55 174.95 1xa1 s PHE 224 N -1.15 -0.09 -0.09 2.71 -0.12 -0.33 -0.09 117.98 118.81 1xa1 s PHE 224 Ca 0.24 -0.24 -0.23 0.00 -0.05 0.00 0.00 56.93 56.65 1xa1 s PHE 224 Cb -0.15 0.24 0.05 0.00 -0.63 0.00 0.00 43.02 42.53 1xa1 s PHE 224 CO 0.13 -0.75 0.55 0.00 -0.05 0.00 0.00 175.22 175.10 1xa1 s ALA 225 N -3.84 -1.41 -0.12 1.99 0.00 -0.27 -1.16 121.76 116.95 1xa1 s ALA 225 Ca 0.06 1.15 0.01 0.00 0.00 0.00 0.00 51.96 53.18 1xa1 s ALA 225 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 1xa1 s ALA 225 CO -0.08 -0.31 -0.15 0.99 0.00 0.00 0.00 175.76 176.21 1xa1 s THR 226 N -0.78 2.92 -0.04 0.00 2.01 -0.11 -1.56 115.64 118.07 1xa1 s THR 226 Ca -0.08 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.26 1xa1 s THR 226 Cb -0.03 -2.21 -0.02 0.00 0.01 0.00 0.00 72.50 70.25 1xa1 s THR 226 CO 0.06 0.53 -0.20 -2.28 -0.69 0.00 0.00 174.62 172.04 1xa1 s HIS 227 N 0.30 2.53 -0.09 4.92 2.46 -0.66 -1.37 115.29 123.38 1xa1 s HIS 227 Ca -0.11 -0.37 0.04 0.00 0.47 0.00 0.00 55.06 55.08 1xa1 s HIS 227 Cb -0.16 -1.59 -0.00 0.00 -0.13 0.00 0.00 32.58 30.70 1xa1 s HIS 227 CO 0.06 0.02 -0.23 -0.51 -2.47 0.00 0.00 174.74 171.61 1xa1 s LEU 228 N -0.54 2.18 -0.00 8.88 1.43 -0.08 -0.95 118.68 129.59 1xa1 s LEU 228 Ca 0.08 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 52.72 1xa1 s LEU 228 Cb -0.11 -1.43 -0.07 0.00 0.03 0.00 0.00 46.19 44.61 1xa1 s LEU 228 CO 0.01 0.18 0.17 -1.54 0.23 0.00 0.00 176.35 175.40 1xa1 n SER 229 N 3.36 1.97 -3.72 2.29 3.41 0.62 -1.68 113.62 119.87 1xa1 n SER 229 Ca -0.18 -0.32 -0.10 0.00 -0.26 0.00 0.00 58.87 58.01 1xa1 n SER 229 Cb 0.53 1.12 -0.04 0.00 -0.26 0.00 0.00 64.21 65.56 1xa1 n SER 229 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xa1 s ASP 230 N -2.05 -0.27 0.03 4.04 -1.08 -1.15 -4.71 116.67 111.48 1xa1 s ASP 230 Ca 0.00 -0.46 0.00 0.00 -0.52 0.00 0.00 52.55 51.57 1xa1 s ASP 230 Cb 0.04 0.57 0.00 0.00 -1.46 0.00 0.00 42.92 42.07 1xa1 s ASP 230 CO 0.22 -1.04 0.00 0.61 0.52 0.00 0.00 175.17 175.48 1xa1 n GLY 231 N -0.33 0.98 2.50 2.66 0.00 -1.26 -1.78 105.19 107.96 1xa1 n GLY 231 Ca -0.10 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 1xa1 n GLY 231 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xa1 n LYS 232 N 0.00 1.58 -2.28 1.61 4.81 -1.26 -5.02 118.16 117.59 1xa1 n LYS 232 Ca 0.00 -4.08 -0.43 0.00 -0.87 0.00 0.00 58.31 52.94 1xa1 n LYS 232 Cb 0.00 -1.95 0.00 0.00 0.02 0.00 0.00 35.03 33.10 1xa1 n LYS 232 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1xa1 n PRO 233 N 1.59 3.26 -4.23 1.64 -0.04 -1.26 -4.77 135.00 131.19 1xa1 n PRO 233 Ca 0.25 -3.24 -0.23 0.00 -0.04 0.00 0.00 63.50 60.25 1xa1 n PRO 233 Cb 0.43 -3.16 -0.06 0.00 -0.04 0.00 0.00 33.50 30.66 1xa1 n PRO 233 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1xa1 s SER 234 N 2.53 4.86 0.22 3.54 1.04 -1.26 -1.76 113.70 122.87 1xa1 s SER 234 Ca 0.45 -0.50 -0.09 0.00 0.48 0.00 0.00 55.95 56.29 1xa1 s SER 234 Cb 0.08 -1.03 0.23 0.00 0.10 0.00 0.00 66.02 65.40 1xa1 s SER 234 CO -0.01 -0.00 1.85 1.23 0.98 0.00 0.00 173.24 177.29 1xa1 h GLY 235 N 1.86 1.10 1.01 7.32 0.00 -1.71 -1.05 103.07 111.60 1xa1 h GLY 235 Ca -0.46 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.53 1xa1 h GLY 235 CO 0.60 0.28 0.55 0.50 0.00 0.00 0.00 176.54 178.47 1xa1 h LYS 236 N 0.90 1.12 -0.12 4.80 1.57 -1.86 -0.31 116.57 122.66 1xa1 h LYS 236 Ca 0.31 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.88 1xa1 h LYS 236 Cb 0.06 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1xa1 h LYS 236 CO -0.13 0.76 -0.49 -0.97 -0.57 0.00 0.00 179.45 178.05 1xa1 h ASN 237 N 1.15 0.35 -0.50 0.86 -1.24 -1.77 -1.81 115.58 112.62 1xa1 h ASN 237 Ca 0.31 -0.17 -0.11 0.00 0.71 0.00 0.00 56.30 57.04 1xa1 h ASN 237 Cb -0.11 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 38.82 1xa1 h ASN 237 CO -0.06 0.79 -0.10 0.00 -1.29 0.00 0.00 177.43 176.76 1xa1 h ALA 238 N 1.23 0.82 -0.21 1.57 0.00 -0.67 -1.26 119.26 120.73 1xa1 h ALA 238 Ca 0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1xa1 h ALA 238 Cb 0.96 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1xa1 h ALA 238 CO 0.08 0.66 -0.00 1.49 0.00 0.00 0.00 179.25 181.48 1xa1 h GLU 239 N 0.88 0.38 -0.42 0.00 4.81 -0.89 -1.20 114.58 118.13 1xa1 h GLU 239 Ca 0.14 -0.12 0.08 0.00 -0.13 0.00 0.00 59.36 59.32 1xa1 h GLU 239 Cb 0.66 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.94 1xa1 h GLU 239 CO 0.05 0.58 0.02 -0.07 -0.73 0.00 0.00 179.01 178.85 1xa1 h LEU 240 N 0.14 -0.13 -0.77 1.64 3.38 -1.23 -0.49 115.31 117.85 1xa1 h LEU 240 Ca 0.06 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1xa1 h LEU 240 Cb 0.41 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1xa1 h LEU 240 CO 0.01 -0.03 0.32 0.40 0.09 0.00 0.00 178.44 179.23 1xa1 h ILE 241 N 0.13 1.25 -0.23 1.22 2.04 -1.18 -0.04 117.51 120.70 1xa1 h ILE 241 Ca 0.21 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1xa1 h ILE 241 Cb 0.29 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1xa1 h ILE 241 CO -0.33 0.32 0.15 0.28 0.00 0.00 0.00 178.15 178.57 1xa1 h SER 242 N 1.10 0.27 -0.05 1.72 0.02 -0.74 -0.27 113.55 115.60 1xa1 h SER 242 Ca 0.26 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 61.05 1xa1 h SER 242 Cb 0.20 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1xa1 h SER 242 CO -0.02 0.21 -0.41 -0.33 -1.14 0.00 0.00 176.83 175.14 1xa1 h GLU 243 N 0.30 0.58 -0.51 3.45 5.08 -0.80 -1.02 114.58 121.66 1xa1 h GLU 243 Ca 0.08 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 1xa1 h GLU 243 Cb -0.02 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1xa1 h GLU 243 CO -0.02 0.88 0.22 0.87 -1.00 0.00 0.00 179.01 179.97 1xa1 h LYS 244 N 0.47 0.76 -0.22 2.33 1.57 -0.79 -1.96 116.57 118.74 1xa1 h LYS 244 Ca 0.04 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1xa1 h LYS 244 Cb 0.91 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1xa1 h LYS 244 CO 0.08 0.65 -0.05 0.82 -0.57 0.00 0.00 179.45 180.38 1xa1 h ILE 245 N 0.69 1.28 -0.82 1.86 2.04 -0.71 -1.19 117.51 120.67 1xa1 h ILE 245 Ca 0.17 -1.03 0.10 0.00 1.00 0.00 0.00 64.86 65.10 1xa1 h ILE 245 Cb 0.16 1.51 -0.08 0.00 -0.74 0.00 0.00 36.82 37.68 1xa1 h ILE 245 CO -0.02 0.32 0.45 -0.07 0.00 0.00 0.00 178.15 178.83 1xa1 h LEU 246 N 0.16 0.63 0.07 1.44 3.38 -1.15 0.89 115.31 120.73 1xa1 h LEU 246 Ca 0.06 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1xa1 h LEU 246 Cb 0.50 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1xa1 h LEU 246 CO 0.02 0.35 -0.03 0.50 0.09 0.00 0.00 178.44 179.36 1xa1 h LYS 247 N 0.75 -0.09 -0.17 1.13 3.64 -1.18 -1.65 116.57 118.99 1xa1 h LYS 247 Ca 0.40 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.81 1xa1 h LYS 247 Cb 0.41 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1xa1 h LYS 247 CO -0.27 0.19 0.11 1.49 -2.27 0.00 0.00 179.45 178.71 1xa1 h GLU 248 N -0.38 0.13 -0.00 1.90 4.22 -0.82 -2.37 114.58 117.26 1xa1 h GLU 248 Ca -0.01 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.42 1xa1 h GLU 248 Cb 0.33 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1xa1 h GLU 248 CO 0.02 0.09 -0.09 -1.33 -2.18 0.00 0.00 179.01 175.51 1xa1 n MET 249 N -4.51 0.66 -0.56 1.92 2.81 0.27 -4.91 117.12 112.80 1xa1 n MET 249 Ca 0.00 -0.19 0.00 0.00 -1.81 0.00 0.00 57.70 55.70 1xa1 n MET 249 Cb 0.15 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 1xa1 n MET 249 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xa1 n GLY 250 N 1.27 0.71 0.17 3.03 0.00 -0.89 -4.96 105.19 104.52 1xa1 n GLY 250 Ca 0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 1xa1 n GLY 250 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xa1 h VAL 251 N 0.00 1.38 -0.47 1.61 2.07 -1.51 -3.23 116.25 116.10 1xa1 h VAL 251 Ca 0.00 -1.92 0.00 0.00 0.82 0.00 0.00 66.70 65.60 1xa1 h VAL 251 Cb 0.00 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1xa1 h VAL 251 CO 0.00 0.56 0.00 0.18 0.02 0.00 0.00 177.57 178.33 1xa1 n LEU 252 N -3.89 3.09 -0.91 2.57 4.32 -1.25 -4.89 117.00 116.05 1xa1 n LEU 252 Ca -0.02 -1.45 0.12 0.00 -0.02 0.00 0.00 56.01 54.65 1xa1 n LEU 252 Cb 0.59 -0.31 0.15 0.00 -1.62 0.00 0.00 43.42 42.22 1xa1 n LEU 252 CO 0.43 0.72 0.66 -0.46 -1.22 0.00 0.00 177.39 177.52