#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pyj s MET 4 N 0.00 4.47 0.51 -1.40 1.75 -1.26 -5.02 119.30 118.35 2pyj s MET 4 Ca 0.00 1.77 -0.22 0.00 -1.25 0.00 0.00 55.69 56.00 2pyj s MET 4 Cb 0.00 -3.32 -0.06 0.00 2.84 0.00 0.00 34.83 34.29 2pyj s MET 4 CO 0.00 -0.17 1.22 -2.14 -0.65 0.00 0.00 175.02 173.27 2pyj s PRO 5 N 0.61 3.45 0.28 4.11 0.02 -1.26 -5.00 135.00 137.20 2pyj s PRO 5 Ca 0.56 1.88 -0.29 0.00 0.02 0.00 0.00 61.00 63.17 2pyj s PRO 5 Cb -0.30 -2.26 -0.09 0.00 0.02 0.00 0.00 34.50 31.87 2pyj s PRO 5 CO 0.31 -0.84 1.14 1.03 -0.33 0.00 0.00 177.00 178.31 2pyj s ARG 6 N -2.90 4.59 0.72 5.54 0.52 -1.26 -5.03 118.95 121.12 2pyj s ARG 6 Ca 0.69 1.87 -0.11 0.00 -0.52 0.00 0.00 55.73 57.65 2pyj s ARG 6 Cb -0.31 -3.18 0.02 0.00 0.52 0.00 0.00 34.95 32.00 2pyj s ARG 6 CO 0.37 0.13 1.07 0.15 0.02 0.00 0.00 175.30 177.04 2pyj s LYS 7 N -1.37 2.75 -0.07 3.54 1.02 -1.26 -4.88 119.74 119.47 2pyj s LYS 7 Ca 0.46 0.81 -0.03 0.00 0.02 0.00 0.00 55.97 57.23 2pyj s LYS 7 Cb -0.33 -1.98 0.04 0.00 -0.52 0.00 0.00 37.83 35.04 2pyj s LYS 7 CO 0.42 -1.19 0.15 0.00 -0.92 0.00 0.00 175.35 173.81 2pyj s MET 8 N -5.11 0.10 0.03 1.68 0.23 -1.26 -0.57 119.30 114.41 2pyj s MET 8 Ca 0.59 0.36 0.04 0.00 -1.03 0.00 0.00 55.69 55.65 2pyj s MET 8 Cb -0.14 -0.15 -0.02 0.00 -1.53 0.00 0.00 34.83 32.99 2pyj s MET 8 CO 0.54 -0.15 -0.13 0.71 -2.03 0.00 0.00 175.02 173.96 2pyj s TYR 9 N 1.07 1.15 -0.22 3.16 1.51 0.39 -0.92 117.35 123.49 2pyj s TYR 9 Ca -0.08 -0.32 -0.12 0.00 -1.01 0.00 0.00 57.07 55.53 2pyj s TYR 9 Cb -0.10 -0.70 -0.05 0.00 -0.11 0.00 0.00 41.96 41.00 2pyj s TYR 9 CO -0.05 0.02 0.23 0.45 -1.11 0.00 0.00 175.55 175.09 2pyj s SER 10 N -0.96 6.23 0.21 2.29 0.15 0.89 -0.78 113.70 121.72 2pyj s SER 10 Ca 0.02 0.25 0.08 0.00 0.70 0.00 0.00 55.95 57.00 2pyj s SER 10 Cb -0.07 -2.14 -0.05 0.00 -1.71 0.00 0.00 66.02 62.05 2pyj s SER 10 CO 0.01 0.03 -0.15 0.00 1.20 0.00 0.00 173.24 174.33 2pyj s ALA 12 N -2.91 -1.07 0.03 0.00 0.00 -0.20 -4.16 121.76 113.44 2pyj s ALA 12 Ca 0.23 0.59 0.06 0.00 0.00 0.00 0.00 51.96 52.84 2pyj s ALA 12 Cb -0.01 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 2pyj s ALA 12 CO 0.08 -0.31 -0.16 -0.06 0.00 0.00 0.00 175.76 175.30 2pyj s PHE 13 N -1.43 2.62 -0.10 0.00 2.99 -1.26 -0.93 117.98 119.86 2pyj s PHE 13 Ca -0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 56.93 56.55 2pyj s PHE 13 Cb -0.03 -1.50 -0.04 0.00 0.00 0.00 0.00 43.02 41.45 2pyj s PHE 13 CO 0.05 0.26 0.06 -1.21 -0.00 0.00 0.00 175.22 174.39 2pyj s GLU 14 N -1.38 3.22 0.04 0.44 0.41 0.50 -4.99 118.70 116.94 2pyj s GLU 14 Ca 0.15 -0.28 0.01 0.00 -0.41 0.00 0.00 54.97 54.44 2pyj s GLU 14 Cb -0.11 -2.98 -0.03 0.00 -1.78 0.00 0.00 34.13 29.24 2pyj s GLU 14 CO 0.05 0.72 -0.06 0.99 -0.49 0.00 0.00 175.26 176.47 2pyj s THR 15 N -0.90 0.44 0.48 3.63 2.01 -1.26 -1.35 115.64 118.69 2pyj s THR 15 Ca 0.14 -1.20 -0.22 0.00 0.31 0.00 0.00 61.69 60.72 2pyj s THR 15 Cb -0.12 -0.72 -0.07 0.00 0.01 0.00 0.00 72.50 71.60 2pyj s THR 15 CO 0.03 -0.51 1.12 -0.89 -0.69 0.00 0.00 174.62 173.68 2pyj s THR 16 N -1.85 3.31 -0.10 -0.82 2.01 0.17 -4.91 115.64 113.46 2pyj s THR 16 Ca -0.07 0.91 0.15 0.00 0.31 0.00 0.00 61.69 62.99 2pyj s THR 16 Cb -0.07 -3.42 -0.21 0.00 0.01 0.00 0.00 72.50 68.81 2pyj s THR 16 CO -0.01 -0.09 0.56 0.35 -0.69 0.00 0.00 174.62 174.75 2pyj n THR 17 N -0.75 1.38 -3.42 -0.82 -2.24 -1.26 -4.57 114.28 102.59 2pyj n THR 17 Ca 0.09 -0.77 -0.27 0.00 -2.27 0.00 0.00 64.05 60.82 2pyj n THR 17 Cb 0.50 -0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 67.92 2pyj n THR 17 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2pyj s LYS 18 N -2.70 3.57 0.13 -0.78 3.01 -1.26 -4.70 119.74 117.00 2pyj s LYS 18 Ca -0.06 -0.15 -0.14 0.00 -1.01 0.00 0.00 55.97 54.62 2pyj s LYS 18 Cb 0.08 -2.69 -0.01 0.00 -1.01 0.00 0.00 37.83 34.20 2pyj s LYS 18 CO 0.83 0.24 1.57 -0.24 0.51 0.00 0.00 175.35 178.26 2pyj h VAL 19 N 1.25 1.26 -0.00 3.17 3.04 -1.95 -3.22 116.25 119.81 2pyj h VAL 19 Ca -0.48 -1.05 0.00 0.00 -1.01 0.00 0.00 66.70 64.16 2pyj h VAL 19 Cb 1.20 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 2pyj h VAL 19 CO 0.65 0.36 -0.04 -1.84 -1.01 0.00 0.00 177.57 175.70 2pyj n GLU 20 N -4.40 0.46 -3.03 4.17 0.00 -1.26 -3.91 120.64 112.67 2pyj n GLU 20 Ca -0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 57.16 56.96 2pyj n GLU 20 Cb 0.30 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.26 2pyj n GLU 20 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2pyj n ASP 21 N -1.23 -0.17 -4.56 -1.84 2.03 -1.22 -5.08 116.55 104.49 2pyj n ASP 21 Ca 0.14 -3.22 -0.43 0.00 0.52 0.00 0.00 54.79 51.81 2pyj n ASP 21 Cb 0.26 0.19 -0.06 0.00 -0.72 0.00 0.00 41.12 40.79 2pyj n ASP 21 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pyj s ARG 23 N 3.12 1.17 -0.05 0.00 1.70 -1.26 -3.12 118.95 120.51 2pyj s ARG 23 Ca 0.29 -0.54 -0.30 0.00 -0.47 0.00 0.00 55.73 54.72 2pyj s ARG 23 Cb -0.13 0.53 -0.03 0.00 -0.57 0.00 0.00 34.95 34.76 2pyj s ARG 23 CO 0.19 -0.48 1.05 0.08 -1.08 0.00 0.00 175.30 175.06 2pyj s VAL 24 N -3.62 4.66 -0.30 4.99 1.01 -1.26 -0.65 120.40 125.22 2pyj s VAL 24 Ca 0.01 1.92 0.11 0.00 0.00 0.00 0.00 61.98 64.02 2pyj s VAL 24 Cb 0.00 -4.23 -0.14 0.00 0.00 0.00 0.00 36.38 32.01 2pyj s VAL 24 CO -0.11 0.06 0.36 -2.67 0.00 0.00 0.00 175.10 172.74 2pyj n TRP 25 N 4.58 0.00 -3.78 5.22 4.27 -0.46 -4.74 117.44 122.53 2pyj n TRP 25 Ca 0.08 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.56 2pyj n TRP 25 Cb 0.49 -0.10 -0.10 0.00 -1.36 0.00 0.00 31.31 30.24 2pyj n TRP 25 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2pyj s ALA 26 N -2.30 -0.69 0.16 -1.67 0.00 -1.11 -4.43 121.76 111.72 2pyj s ALA 26 Ca 0.01 0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.45 2pyj s ALA 26 Cb 0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 2pyj s ALA 26 CO 0.44 -0.21 -0.11 1.52 0.00 0.00 0.00 175.76 177.41 2pyj s TYR 27 N -0.81 1.34 -0.07 0.00 1.13 0.20 -0.37 117.35 118.77 2pyj s TYR 27 Ca -0.09 -0.73 -0.11 0.00 -1.41 0.00 0.00 57.07 54.73 2pyj s TYR 27 Cb -0.05 -0.67 0.02 0.00 -1.10 0.00 0.00 41.96 40.17 2pyj s TYR 27 CO 0.02 0.13 0.28 0.20 -2.51 0.00 0.00 175.55 173.66 2pyj s GLY 28 N -3.20 -0.17 0.03 5.49 0.00 -0.11 -2.19 107.32 107.18 2pyj s GLY 28 Ca 0.18 0.59 0.02 0.00 0.00 0.00 0.00 44.72 45.52 2pyj s GLY 28 CO 0.02 0.46 -0.08 -2.52 0.00 0.00 0.00 173.10 170.98 2pyj s TYR 29 N -0.35 0.67 -0.06 1.90 -0.85 -0.83 -1.04 117.35 116.80 2pyj s TYR 29 Ca -0.05 -0.40 -0.04 0.00 -0.52 0.00 0.00 57.07 56.06 2pyj s TYR 29 Cb -0.03 -0.41 0.03 0.00 0.38 0.00 0.00 41.96 41.93 2pyj s TYR 29 CO 0.01 -0.06 0.14 1.41 -1.52 0.00 0.00 175.55 175.54 2pyj s MET 30 N -1.26 0.12 -0.01 -3.49 1.75 0.18 -1.42 119.30 115.17 2pyj s MET 30 Ca -0.07 0.30 -0.30 0.00 -1.25 0.00 0.00 55.69 54.37 2pyj s MET 30 Cb -0.08 -0.08 -0.07 0.00 2.84 0.00 0.00 34.83 37.44 2pyj s MET 30 CO 0.00 -0.11 1.67 1.21 -0.65 0.00 0.00 175.02 177.15 2pyj s ASN 31 N 0.74 6.64 0.55 1.11 3.84 -0.22 -0.08 114.94 127.53 2pyj s ASN 31 Ca -0.06 2.33 0.22 0.00 0.21 0.00 0.00 52.86 55.57 2pyj s ASN 31 Cb -0.07 -2.54 1.50 0.00 -0.55 0.00 0.00 41.25 39.59 2pyj s ASN 31 CO -0.04 -0.92 2.19 0.40 -2.79 0.00 0.00 177.10 175.95 2pyj h ILE 32 N 5.35 0.80 -0.01 -5.21 2.04 -1.35 -2.42 117.51 116.70 2pyj h ILE 32 Ca -0.41 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.43 2pyj h ILE 32 Cb 1.19 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 2pyj h ILE 32 CO 0.94 0.01 -0.61 -0.62 0.00 0.00 0.00 178.15 177.87 2pyj n GLU 33 N -4.23 1.04 -3.37 2.37 1.02 -1.26 -4.70 120.64 111.51 2pyj n GLU 33 Ca -0.03 -0.64 -0.18 0.00 -0.02 0.00 0.00 57.16 56.30 2pyj n GLU 33 Cb 0.09 -1.43 -0.08 0.00 -0.02 0.00 0.00 31.44 30.00 2pyj n GLU 33 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2pyj s ASP 34 N -2.52 1.36 0.06 1.62 2.15 -0.92 -5.01 116.67 113.41 2pyj s ASP 34 Ca 0.14 -1.48 0.17 0.00 0.43 0.00 0.00 52.55 51.80 2pyj s ASP 34 Cb 0.16 0.49 0.70 0.00 -0.30 0.00 0.00 42.92 43.98 2pyj s ASP 34 CO 0.63 -0.28 1.52 1.41 -0.17 0.00 0.00 175.17 178.27 2pyj n HIS 35 N 4.41 0.18 0.29 -5.34 8.25 -1.21 -0.87 115.22 120.92 2pyj n HIS 35 Ca 0.09 0.07 0.12 0.00 -0.26 0.00 0.00 57.72 57.74 2pyj n HIS 35 Cb 0.45 -0.61 0.22 0.00 1.12 0.00 0.00 29.99 31.16 2pyj n HIS 35 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2pyj h SER 36 N 0.00 0.00 -2.93 0.41 4.64 -1.95 -3.42 113.55 110.30 2pyj h SER 36 Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 2pyj h SER 36 Cb 0.28 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.22 2pyj h SER 36 CO 0.00 0.00 0.46 -0.70 -0.87 0.00 0.00 176.83 175.72 2pyj s GLU 37 N -3.20 3.18 0.14 4.77 2.12 -0.05 -4.99 118.70 120.67 2pyj s GLU 37 Ca 0.08 -0.68 -0.16 0.00 0.36 0.00 0.00 54.97 54.56 2pyj s GLU 37 Cb 0.06 -4.15 0.03 0.00 0.26 0.00 0.00 34.13 30.33 2pyj s GLU 37 CO 0.66 -1.61 0.43 1.52 -0.54 0.00 0.00 175.26 175.71 2pyj s TYR 38 N 3.76 -0.19 -0.19 5.30 1.13 -1.26 -1.05 117.35 124.84 2pyj s TYR 38 Ca 0.23 -0.12 -0.11 0.00 -1.41 0.00 0.00 57.07 55.66 2pyj s TYR 38 Cb -0.16 0.29 0.06 0.00 -1.10 0.00 0.00 41.96 41.05 2pyj s TYR 38 CO 0.13 -0.74 0.47 0.21 -2.51 0.00 0.00 175.55 173.11 2pyj s LYS 39 N -3.82 0.47 -0.12 -3.49 2.20 -0.50 -5.00 119.74 109.47 2pyj s LYS 39 Ca 0.04 0.85 0.03 0.00 -0.36 0.00 0.00 55.97 56.53 2pyj s LYS 39 Cb 0.01 0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.38 2pyj s LYS 39 CO -0.10 -0.15 -0.22 0.42 -0.36 0.00 0.00 175.35 174.94 2pyj s ILE 40 N 1.30 2.16 0.32 5.43 1.01 -1.26 -1.96 121.20 128.20 2pyj s ILE 40 Ca -0.08 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 59.65 2pyj s ILE 40 Cb -0.07 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 2pyj s ILE 40 CO -0.12 0.55 0.28 -0.83 0.00 0.00 0.00 174.94 174.81 2pyj s GLY 41 N 0.54 2.19 -0.09 6.18 0.00 -0.93 -5.00 107.32 110.21 2pyj s GLY 41 Ca -0.14 -2.00 0.13 0.00 0.00 0.00 0.00 44.72 42.71 2pyj s GLY 41 CO 0.04 -1.44 1.27 1.16 0.00 0.00 0.00 173.10 174.14 2pyj n ASN 42 N -1.41 3.08 -3.92 1.64 6.94 -1.26 -0.63 115.26 119.70 2pyj n ASN 42 Ca 0.07 -2.56 -0.28 0.00 -0.02 0.00 0.00 54.58 51.79 2pyj n ASN 42 Cb 0.63 -0.35 -0.17 0.00 -2.36 0.00 0.00 39.78 37.53 2pyj n ASN 42 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2pyj s SER 43 N -1.64 2.48 0.22 0.53 0.15 -1.26 -4.60 113.70 109.58 2pyj s SER 43 Ca 0.29 -0.45 -0.08 0.00 0.70 0.00 0.00 55.95 56.40 2pyj s SER 43 Cb 0.21 -0.92 0.17 0.00 -1.71 0.00 0.00 66.02 63.77 2pyj s SER 43 CO 0.09 -0.13 1.81 0.25 1.20 0.00 0.00 173.24 176.46 2pyj h LEU 44 N 8.14 1.07 -0.63 3.45 5.85 -1.94 -1.11 115.31 130.14 2pyj h LEU 44 Ca -0.29 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 58.39 2pyj h LEU 44 Cb 1.12 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.81 2pyj h LEU 44 CO 0.42 0.90 0.25 0.44 -0.34 0.00 0.00 178.44 180.11 2pyj h ASP 45 N 1.16 0.26 -0.52 1.25 3.32 -1.98 0.24 116.42 120.15 2pyj h ASP 45 Ca 0.28 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.33 2pyj h ASP 45 Cb 0.11 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2pyj h ASP 45 CO -0.04 0.15 0.02 -0.08 -1.72 0.00 0.00 179.24 177.58 2pyj h GLU 46 N 0.44 0.89 0.01 3.56 4.81 -1.87 -1.29 114.58 121.13 2pyj h GLU 46 Ca 0.32 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2pyj h GLU 46 Cb 0.39 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2pyj h GLU 46 CO -0.31 0.91 -0.01 0.35 -0.73 0.00 0.00 179.01 179.23 2pyj h PHE 47 N 0.77 -0.02 -0.04 0.92 3.57 -0.75 -3.03 116.94 118.36 2pyj h PHE 47 Ca 0.15 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 2pyj h PHE 47 Cb 0.49 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 2pyj h PHE 47 CO 0.04 0.05 -0.38 0.52 -2.23 0.00 0.00 178.31 176.31 2pyj h MET 48 N -0.08 0.08 -0.79 1.11 2.86 -0.41 -0.94 114.93 116.75 2pyj h MET 48 Ca -0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2pyj h MET 48 Cb 0.08 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 2pyj h MET 48 CO 0.00 0.45 0.47 0.00 1.06 0.00 0.00 176.91 178.89 2pyj h ALA 49 N 1.55 1.00 -0.48 6.32 0.00 -1.26 -1.77 119.26 124.63 2pyj h ALA 49 Ca 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2pyj h ALA 49 Cb 0.70 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2pyj h ALA 49 CO 0.05 0.47 0.17 2.35 0.00 0.00 0.00 179.25 182.29 2pyj h TRP 50 N 1.08 0.76 -0.89 0.00 7.01 -1.17 -2.73 115.95 120.01 2pyj h TRP 50 Ca 0.28 -0.07 0.14 0.00 2.11 0.00 0.00 58.89 61.35 2pyj h TRP 50 Cb -0.03 -0.22 -0.09 0.00 -2.10 0.00 0.00 29.16 26.71 2pyj h TRP 50 CO -0.01 0.66 0.50 0.28 -2.79 0.00 0.00 178.44 177.09 2pyj h VAL 51 N 0.65 0.79 0.00 2.65 2.07 -0.86 0.13 116.25 121.67 2pyj h VAL 51 Ca 0.16 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 2pyj h VAL 51 Cb 0.24 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 2pyj h VAL 51 CO -0.01 0.13 -0.33 -0.07 0.02 0.00 0.00 177.57 177.32 2pyj h LEU 52 N 0.74 0.00 0.07 2.57 4.07 -1.16 -3.33 115.31 118.27 2pyj h LEU 52 Ca 0.47 0.00 -0.36 0.00 0.08 0.00 0.00 57.88 58.08 2pyj h LEU 52 Cb 0.61 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.31 2pyj h LEU 52 CO -0.33 0.33 -2.06 1.17 -1.08 0.00 0.00 178.44 176.47 2pyj n LYS 53 N -3.69 0.71 0.15 1.13 4.81 -0.30 -4.52 118.16 116.45 2pyj n LYS 53 Ca -0.01 0.23 0.02 0.00 -0.87 0.00 0.00 58.31 57.68 2pyj n LYS 53 Cb 0.43 -1.68 0.38 0.00 0.02 0.00 0.00 35.03 34.19 2pyj n LYS 53 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 2pyj h VAL 54 N 0.04 1.20 -6.83 3.15 -1.51 -0.92 -3.47 116.25 107.90 2pyj h VAL 54 Ca -0.44 -0.93 -0.57 0.00 -1.23 0.00 0.00 66.70 63.54 2pyj h VAL 54 Cb 2.02 1.37 -0.04 0.00 -2.13 0.00 0.00 31.29 32.51 2pyj h VAL 54 CO 0.05 0.28 -0.99 0.00 -1.23 0.00 0.00 177.57 175.68 2pyj n GLN 55 N -4.22 -0.74 -4.46 5.19 10.64 -1.26 -4.96 117.38 117.57 2pyj n GLN 55 Ca -0.01 0.15 -0.25 0.00 -1.83 0.00 0.00 57.00 55.06 2pyj n GLN 55 Cb 0.31 -3.10 -0.08 0.00 -0.86 0.00 0.00 30.24 26.51 2pyj n GLN 55 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2pyj s ALA 56 N -3.72 2.73 -0.20 2.61 0.00 -1.24 -4.74 121.76 117.20 2pyj s ALA 56 Ca 0.36 -1.38 -0.17 0.00 0.00 0.00 0.00 51.96 50.77 2pyj s ALA 56 Cb -0.19 0.96 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 2pyj s ALA 56 CO 0.96 -0.43 0.44 -0.51 0.00 0.00 0.00 175.76 176.22 2pyj s ASP 57 N -3.56 6.47 -0.01 0.00 1.01 0.27 -1.57 116.67 119.28 2pyj s ASP 57 Ca 0.27 0.56 0.05 0.00 0.71 0.00 0.00 52.55 54.14 2pyj s ASP 57 Cb 0.02 -2.25 -0.03 0.00 1.01 0.00 0.00 42.92 41.67 2pyj s ASP 57 CO 0.18 -0.12 -0.16 -0.76 0.21 0.00 0.00 175.17 174.52 2pyj s LEU 58 N 1.45 2.64 -0.10 1.23 1.02 0.52 -0.46 118.68 124.98 2pyj s LEU 58 Ca 0.21 -0.30 0.03 0.00 0.02 0.00 0.00 54.13 54.09 2pyj s LEU 58 Cb -0.15 -1.54 0.01 0.00 0.02 0.00 0.00 46.19 44.53 2pyj s LEU 58 CO 0.09 0.31 -0.20 -0.31 0.02 0.00 0.00 176.35 176.25 2pyj s TYR 59 N -0.80 2.28 0.00 0.29 2.02 0.04 0.49 117.35 121.67 2pyj s TYR 59 Ca 0.13 -0.96 0.03 0.00 -0.37 0.00 0.00 57.07 55.90 2pyj s TYR 59 Cb -0.11 -1.56 -0.03 0.00 -0.40 0.00 0.00 41.96 39.86 2pyj s TYR 59 CO 0.02 -0.41 -0.05 -0.06 -1.57 0.00 0.00 175.55 173.48 2pyj s PHE 60 N 0.51 2.92 -0.53 2.71 0.08 -0.64 -0.49 117.98 122.55 2pyj s PHE 60 Ca -0.16 -0.01 -0.21 0.00 0.12 0.00 0.00 56.93 56.67 2pyj s PHE 60 Cb -0.17 -1.62 0.05 0.00 -0.57 0.00 0.00 43.02 40.71 2pyj s PHE 60 CO 0.06 0.39 0.74 -1.58 -0.10 0.00 0.00 175.22 174.73 2pyj s HIS 61 N -1.01 2.95 -0.04 0.36 5.65 -1.26 -0.89 115.29 121.05 2pyj s HIS 61 Ca 0.17 -0.38 -0.00 0.00 0.25 0.00 0.00 55.06 55.11 2pyj s HIS 61 Cb -0.11 -3.75 -0.00 0.00 -1.18 0.00 0.00 32.58 27.53 2pyj s HIS 61 CO 0.08 -1.17 0.04 -1.71 -0.65 0.00 0.00 174.74 171.33 2pyj n ASN 62 N 6.65 -2.30 -0.24 9.88 2.85 -1.26 -4.90 115.26 125.94 2pyj n ASN 62 Ca -0.04 -0.01 0.10 0.00 -0.11 0.00 0.00 54.58 54.52 2pyj n ASN 62 Cb 0.46 -1.13 0.36 0.00 1.24 0.00 0.00 39.78 40.71 2pyj n ASN 62 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2pyj h LEU 63 N 0.01 0.67 -0.96 1.20 5.85 -1.87 -2.43 115.31 117.78 2pyj h LEU 63 Ca -0.01 0.02 0.33 0.00 0.84 0.00 0.00 57.88 59.06 2pyj h LEU 63 Cb 1.00 -0.11 -0.18 0.00 0.37 0.00 0.00 40.66 41.74 2pyj h LEU 63 CO 0.02 0.38 0.24 1.17 -0.34 0.00 0.00 178.44 179.91 2pyj n LYS 64 N -4.52 -0.07 -0.01 1.25 4.81 -1.26 0.70 118.16 119.06 2pyj n LYS 64 Ca 0.15 1.39 -0.01 0.00 -0.87 0.00 0.00 58.31 58.97 2pyj n LYS 64 Cb 0.37 -2.34 -0.01 0.00 0.02 0.00 0.00 35.03 33.08 2pyj n LYS 64 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 2pyj h PHE 65 N 0.00 -0.09 -0.62 5.64 0.04 -1.82 -3.34 116.94 116.76 2pyj h PHE 65 Ca 0.69 -0.00 0.08 0.00 2.80 0.00 0.00 57.97 61.54 2pyj h PHE 65 Cb 1.63 0.03 -0.07 0.00 2.20 0.00 0.00 35.95 39.74 2pyj h PHE 65 CO -0.28 -0.05 0.27 0.00 -0.60 0.00 0.00 178.31 177.65 2pyj h ALA 66 N -1.10 0.81 -0.75 2.45 0.00 -1.53 -3.00 119.26 116.15 2pyj h ALA 66 Ca -0.01 0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.13 2pyj h ALA 66 Cb 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2pyj h ALA 66 CO 0.02 -0.13 0.51 0.78 0.00 0.00 0.00 179.25 180.42 2pyj h GLY 67 N 0.48 0.52 1.32 0.00 0.00 0.11 -0.16 103.07 105.34 2pyj h GLY 67 Ca 0.30 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.43 2pyj h GLY 67 CO -0.27 0.03 0.02 0.00 0.00 0.00 0.00 176.54 176.33 2pyj h ALA 68 N 1.65 1.09 -0.33 3.60 0.00 -1.64 -1.08 119.26 122.55 2pyj h ALA 68 Ca 0.37 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 2pyj h ALA 68 Cb 1.02 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2pyj h ALA 68 CO -0.09 0.58 -0.49 0.74 0.00 0.00 0.00 179.25 179.99 2pyj h PHE 69 N 0.78 1.11 0.21 0.00 0.04 -1.17 -2.05 116.94 115.87 2pyj h PHE 69 Ca 0.15 -0.37 -0.01 0.00 2.80 0.00 0.00 57.97 60.54 2pyj h PHE 69 Cb 0.44 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.37 2pyj h PHE 69 CO 0.02 1.21 -0.10 0.82 -0.60 0.00 0.00 178.31 179.66 2pyj h ILE 70 N 0.71 0.83 -0.63 -0.55 2.04 -1.25 -1.78 117.51 116.87 2pyj h ILE 70 Ca 0.03 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 2pyj h ILE 70 Cb 1.09 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 2pyj h ILE 70 CO 0.11 0.04 0.14 0.40 0.00 0.00 0.00 178.15 178.84 2pyj h ILE 71 N -0.36 1.25 -0.25 -0.67 2.04 -1.25 -0.30 117.51 117.96 2pyj h ILE 71 Ca -0.03 -0.93 0.06 0.00 1.00 0.00 0.00 64.86 64.96 2pyj h ILE 71 Cb 0.28 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 2pyj h ILE 71 CO 0.05 0.35 -0.14 0.78 0.00 0.00 0.00 178.15 179.18 2pyj h ASN 72 N 0.95 -0.48 0.24 1.72 2.35 -1.30 -0.82 115.58 118.25 2pyj h ASN 72 Ca 0.20 0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 56.04 2pyj h ASN 72 Cb 0.36 0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.98 2pyj h ASN 72 CO 0.00 -0.18 -0.12 -0.25 -1.65 0.00 0.00 177.43 175.24 2pyj h TRP 73 N -0.12 -0.30 -0.70 1.19 7.01 -0.86 -2.79 115.95 119.38 2pyj h TRP 73 Ca 0.14 -0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.28 2pyj h TRP 73 Cb 0.33 0.10 -0.11 0.00 -2.10 0.00 0.00 29.16 27.38 2pyj h TRP 73 CO -0.32 -0.15 0.12 -0.07 -2.79 0.00 0.00 178.44 175.24 2pyj h LEU 74 N -0.37 -0.07 -1.57 0.65 4.07 -0.94 -0.75 115.31 116.33 2pyj h LEU 74 Ca -0.03 0.15 -0.04 0.00 0.08 0.00 0.00 57.88 58.04 2pyj h LEU 74 Cb 0.28 0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 2pyj h LEU 74 CO 0.05 -0.06 -0.19 -0.33 -1.08 0.00 0.00 178.44 176.84 2pyj h GLU 75 N 0.22 0.00 -0.02 1.13 4.39 -1.01 -1.63 114.58 117.66 2pyj h GLU 75 Ca 0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.09 2pyj h GLU 75 Cb 0.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2pyj h GLU 75 CO -0.51 0.19 -0.34 0.54 -1.16 0.00 0.00 179.01 177.72 2pyj n ARG 76 N -3.60 1.48 -1.82 2.33 1.74 -0.56 -4.47 116.66 111.76 2pyj n ARG 76 Ca -0.01 -1.20 -0.10 0.00 -0.77 0.00 0.00 57.85 55.77 2pyj n ARG 76 Cb 0.32 -1.48 0.07 0.00 -1.02 0.00 0.00 32.46 30.36 2pyj n ARG 76 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2pyj n ASN 77 N 0.29 3.18 0.00 0.55 4.13 -0.40 -4.98 115.26 118.03 2pyj n ASN 77 Ca 0.11 -3.28 0.00 0.00 1.68 0.00 0.00 54.58 53.09 2pyj n ASN 77 Cb 0.49 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 38.33 2pyj n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2pyj n GLY 78 N -0.67 0.58 3.61 7.41 0.00 -1.21 -4.95 105.19 109.96 2pyj n GLY 78 Ca 0.27 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 2pyj n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pyj s PHE 79 N -2.00 2.66 0.05 1.61 0.08 -0.65 -4.84 117.98 114.90 2pyj s PHE 79 Ca 0.00 -0.22 -0.04 0.00 0.12 0.00 0.00 56.93 56.79 2pyj s PHE 79 Cb 0.00 -1.23 -0.02 0.00 -0.57 0.00 0.00 43.02 41.20 2pyj s PHE 79 CO 0.00 0.58 0.05 -1.59 -0.10 0.00 0.00 175.22 174.16 2pyj s LYS 80 N -3.29 0.63 0.16 0.44 -2.85 -1.21 -4.27 119.74 109.35 2pyj s LYS 80 Ca 0.29 -1.00 -0.30 0.00 -1.00 0.00 0.00 55.97 53.96 2pyj s LYS 80 Cb -0.07 0.24 -0.08 0.00 -2.06 0.00 0.00 37.83 35.85 2pyj s LYS 80 CO 0.18 -0.15 1.31 -0.46 0.10 0.00 0.00 175.35 176.33 2pyj s TRP 81 N -3.38 3.28 -0.11 1.78 -0.00 -1.26 -1.34 118.94 117.91 2pyj s TRP 81 Ca 0.02 1.17 -0.08 0.00 -0.00 0.00 0.00 56.10 57.20 2pyj s TRP 81 Cb 0.04 -3.60 0.04 0.00 -0.00 0.00 0.00 33.47 29.95 2pyj s TRP 81 CO -0.08 -1.92 0.28 0.45 -0.00 0.00 0.00 176.95 175.68 2pyj s SER 82 N 0.62 -0.31 0.41 5.86 0.15 -0.21 -4.85 113.70 115.36 2pyj s SER 82 Ca 0.59 0.59 0.26 0.00 0.70 0.00 0.00 55.95 58.09 2pyj s SER 82 Cb -0.36 0.53 0.71 0.00 -1.71 0.00 0.00 66.02 65.20 2pyj s SER 82 CO 0.35 -0.14 1.73 0.00 1.20 0.00 0.00 173.24 176.39 2pyj h ALA 83 N 6.47 1.00 -0.00 5.45 0.00 -1.96 -3.33 119.26 126.88 2pyj h ALA 83 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2pyj h ALA 83 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2pyj h ALA 83 CO 0.34 0.00 -0.03 -0.25 0.00 0.00 0.00 179.25 179.32 2pyj n ASP 84 N -2.87 0.17 -3.67 0.00 10.43 -1.26 -4.93 116.55 114.42 2pyj n ASP 84 Ca 0.03 -0.54 -0.25 0.00 2.57 0.00 0.00 54.79 56.61 2pyj n ASP 84 Cb 0.44 -0.14 0.07 0.00 1.84 0.00 0.00 41.12 43.32 2pyj n ASP 84 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2pyj n GLY 85 N 1.20 -0.53 3.87 0.44 0.00 -1.25 -4.99 105.19 103.93 2pyj n GLY 85 Ca 0.17 0.24 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 2pyj n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pyj s LEU 86 N -7.27 3.63 0.64 0.99 1.43 -1.26 -4.97 118.68 111.87 2pyj s LEU 86 Ca 0.58 1.31 -0.18 0.00 -1.03 0.00 0.00 54.13 54.81 2pyj s LEU 86 Cb -0.26 -4.25 -0.03 0.00 0.03 0.00 0.00 46.19 41.68 2pyj s LEU 86 CO 0.75 -0.56 1.00 -2.65 0.23 0.00 0.00 176.35 175.12 2pyj n PRO 87 N -1.75 0.82 -2.55 1.29 -0.02 -1.26 -2.38 135.00 129.14 2pyj n PRO 87 Ca 0.04 0.33 -0.18 0.00 -2.02 0.00 0.00 63.50 61.67 2pyj n PRO 87 Cb 0.54 -2.23 -0.00 0.00 -0.02 0.00 0.00 33.50 31.79 2pyj n PRO 87 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2pyj n ASN 88 N -1.16 -5.01 -4.26 2.55 5.03 0.33 -4.98 115.26 107.76 2pyj n ASN 88 Ca 0.14 0.01 -0.14 0.00 0.87 0.00 0.00 54.58 55.46 2pyj n ASN 88 Cb 0.48 -4.18 -0.10 0.00 -1.02 0.00 0.00 39.78 34.96 2pyj n ASN 88 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2pyj s THR 89 N -2.88 0.71 0.04 3.41 -4.23 -1.00 -3.32 115.64 108.36 2pyj s THR 89 Ca 0.06 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.61 2pyj s THR 89 Cb -0.03 -2.20 -0.02 0.00 1.34 0.00 0.00 72.50 71.59 2pyj s THR 89 CO 0.08 -0.40 -0.09 -0.72 -0.54 0.00 0.00 174.62 172.94 2pyj s TYR 90 N -3.63 0.81 0.35 3.99 1.13 -0.45 -0.84 117.35 118.71 2pyj s TYR 90 Ca 0.26 -0.39 0.09 0.00 -1.41 0.00 0.00 57.07 55.61 2pyj s TYR 90 Cb 0.06 -0.48 -0.05 0.00 -1.10 0.00 0.00 41.96 40.38 2pyj s TYR 90 CO 0.06 -0.03 0.03 1.21 -2.51 0.00 0.00 175.55 174.30 2pyj s ASN 91 N -1.26 4.20 0.04 -0.18 3.84 -0.02 -1.04 114.94 120.52 2pyj s ASN 91 Ca -0.05 -1.01 -0.03 0.00 0.21 0.00 0.00 52.86 51.98 2pyj s ASN 91 Cb -0.08 -0.53 -0.02 0.00 -0.55 0.00 0.00 41.25 40.07 2pyj s ASN 91 CO 0.01 -0.27 0.04 0.42 -2.79 0.00 0.00 177.10 174.50 2pyj s THR 92 N -2.53 0.16 -0.32 -5.21 -4.23 -1.26 -0.04 115.64 102.21 2pyj s THR 92 Ca 0.35 -1.35 0.03 0.00 -1.18 0.00 0.00 61.69 59.55 2pyj s THR 92 Cb 0.01 -1.08 0.09 0.00 1.34 0.00 0.00 72.50 72.86 2pyj s THR 92 CO 0.20 -0.74 0.03 -0.63 -0.54 0.00 0.00 174.62 172.93 2pyj s ILE 93 N -3.05 2.13 -0.11 2.99 1.01 -0.21 -4.98 121.20 118.99 2pyj s ILE 93 Ca -0.01 -2.13 -0.01 0.00 0.00 0.00 0.00 60.65 58.50 2pyj s ILE 93 Cb 0.02 -2.52 0.03 0.00 0.01 0.00 0.00 42.46 39.99 2pyj s ILE 93 CO -0.07 -0.50 -0.06 -0.63 0.00 0.00 0.00 174.94 173.68 2pyj s ILE 94 N 1.00 0.91 0.91 2.92 1.01 -1.26 -1.03 121.20 125.67 2pyj s ILE 94 Ca 0.07 -0.24 -0.12 0.00 0.00 0.00 0.00 60.65 60.36 2pyj s ILE 94 Cb -0.19 -0.97 0.14 0.00 0.01 0.00 0.00 42.46 41.45 2pyj s ILE 94 CO -0.09 0.33 1.10 -0.94 0.00 0.00 0.00 174.94 175.34 2pyj s SER 95 N 1.75 3.40 0.63 3.58 1.04 -0.52 -1.16 113.70 122.42 2pyj s SER 95 Ca 0.05 1.23 0.38 0.00 0.48 0.00 0.00 55.95 58.08 2pyj s SER 95 Cb -0.13 -1.89 2.14 0.00 0.10 0.00 0.00 66.02 66.24 2pyj s SER 95 CO -0.08 -2.65 2.31 0.03 0.98 0.00 0.00 173.24 173.83 2pyj h ARG 96 N -1.56 0.00 -0.58 4.02 3.08 -1.88 -0.54 114.38 116.92 2pyj h ARG 96 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2pyj h ARG 96 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2pyj h ARG 96 CO 0.58 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 178.15 2pyj n MET 97 N -3.45 2.43 -2.27 0.04 2.81 -1.26 -4.95 117.12 110.46 2pyj n MET 97 Ca -0.03 -2.06 -0.06 0.00 -1.81 0.00 0.00 57.70 53.74 2pyj n MET 97 Cb 0.08 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 2pyj n MET 97 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2pyj n GLY 98 N 1.34 0.24 3.62 3.03 0.00 -0.21 -5.04 105.19 108.18 2pyj n GLY 98 Ca 0.19 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 2pyj n GLY 98 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pyj s GLN 99 N -4.54 3.98 -0.05 1.61 -2.07 -1.26 -4.88 119.66 112.45 2pyj s GLN 99 Ca 0.04 -0.33 -0.20 0.00 -1.82 0.00 0.00 55.36 53.05 2pyj s GLN 99 Cb -0.02 -3.33 -0.05 0.00 -1.09 0.00 0.00 33.01 28.52 2pyj s GLN 99 CO 0.05 0.16 0.55 -1.58 -1.32 0.00 0.00 175.29 173.15 2pyj s TRP 100 N 0.71 3.61 -0.00 9.60 0.52 -1.26 -1.44 118.94 130.68 2pyj s TRP 100 Ca 0.05 1.08 0.00 0.00 0.02 0.00 0.00 56.10 57.25 2pyj s TRP 100 Cb -0.13 -2.59 -0.00 0.00 -1.15 0.00 0.00 33.47 29.60 2pyj s TRP 100 CO 0.02 0.27 -0.00 0.66 0.02 0.00 0.00 176.95 177.92 2pyj n TYR 101 N 3.14 0.00 -3.66 -1.98 4.01 -0.19 -4.73 117.16 113.75 2pyj n TYR 101 Ca -0.07 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.54 2pyj n TYR 101 Cb 0.51 -0.01 -0.08 0.00 -0.31 0.00 0.00 39.34 39.45 2pyj n TYR 101 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 2pyj s MET 102 N -2.01 0.74 -0.20 -0.72 1.75 -1.17 -3.67 119.30 114.02 2pyj s MET 102 Ca -0.00 0.91 0.01 0.00 -1.25 0.00 0.00 55.69 55.36 2pyj s MET 102 Cb 0.00 0.34 0.04 0.00 2.84 0.00 0.00 34.83 38.06 2pyj s MET 102 CO 0.01 -0.09 -0.09 0.42 -0.65 0.00 0.00 175.02 174.62 2pyj s ILE 103 N 0.45 1.51 -0.44 10.11 1.01 -0.38 -1.04 121.20 132.41 2pyj s ILE 103 Ca -0.01 -0.96 -0.10 0.00 0.00 0.00 0.00 60.65 59.59 2pyj s ILE 103 Cb -0.05 -1.64 0.09 0.00 0.01 0.00 0.00 42.46 40.88 2pyj s ILE 103 CO -0.01 0.12 0.30 -0.62 0.00 0.00 0.00 174.94 174.74 2pyj s ASP 104 N 1.45 5.69 -0.41 3.58 -1.08 0.94 -0.59 116.67 126.25 2pyj s ASP 104 Ca -0.01 -1.65 -0.18 0.00 -0.52 0.00 0.00 52.55 50.18 2pyj s ASP 104 Cb -0.16 -2.01 0.02 0.00 -1.46 0.00 0.00 42.92 39.30 2pyj s ASP 104 CO -0.08 -0.60 0.51 -0.63 0.52 0.00 0.00 175.17 174.88 2pyj s ILE 105 N 1.42 5.00 -0.23 4.11 1.01 0.09 -0.84 121.20 131.75 2pyj s ILE 105 Ca 0.04 -0.09 -0.20 0.00 0.00 0.00 0.00 60.65 60.39 2pyj s ILE 105 Cb -0.24 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 2pyj s ILE 105 CO 0.01 -0.43 0.62 0.00 0.00 0.00 0.00 174.94 175.14 2pyj n LEU 107 N 5.39 0.45 0.00 0.00 4.77 0.72 -0.51 117.00 127.83 2pyj n LEU 107 Ca -0.01 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2pyj n LEU 107 Cb 0.49 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 2pyj n LEU 107 CO 0.43 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 2pyj n GLY 108 N 1.71 -1.01 2.97 -0.72 0.00 -1.01 -4.40 105.19 102.72 2pyj n GLY 108 Ca -0.28 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.67 2pyj n GLY 108 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pyj s TYR 109 N -3.00 0.27 -0.35 1.61 1.51 -1.26 -0.25 117.35 115.88 2pyj s TYR 109 Ca 0.00 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 55.70 2pyj s TYR 109 Cb 0.00 -0.18 0.15 0.00 -0.11 0.00 0.00 41.96 41.82 2pyj s TYR 109 CO 0.00 -0.13 0.38 0.15 -1.11 0.00 0.00 175.55 174.85 2pyj s LYS 110 N -1.09 0.57 -0.21 -0.62 -0.14 0.12 -4.90 119.74 113.47 2pyj s LYS 110 Ca -0.11 -0.59 -0.05 0.00 -1.36 0.00 0.00 55.97 53.86 2pyj s LYS 110 Cb -0.07 -0.61 -0.19 0.00 -1.68 0.00 0.00 37.83 35.27 2pyj s LYS 110 CO -0.01 -1.15 -0.02 0.41 -0.76 0.00 0.00 175.35 173.83 2pyj n GLY 111 N 4.56 -0.48 0.87 -3.33 0.00 -1.26 -3.23 105.19 102.32 2pyj n GLY 111 Ca 0.08 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.04 2pyj n GLY 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pyj n LYS 112 N -3.57 2.12 -2.85 1.61 5.02 -1.26 -4.93 118.16 114.29 2pyj n LYS 112 Ca -0.42 -1.75 -0.42 0.00 -2.02 0.00 0.00 58.31 53.71 2pyj n LYS 112 Cb 0.97 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 34.48 2pyj n LYS 112 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2pyj s ARG 113 N -2.09 4.31 0.07 1.97 3.52 -1.20 -5.01 118.95 120.52 2pyj s ARG 113 Ca 0.26 1.08 -0.31 0.00 -0.13 0.00 0.00 55.73 56.63 2pyj s ARG 113 Cb 0.20 -3.58 -0.06 0.00 -1.56 0.00 0.00 34.95 29.95 2pyj s ARG 113 CO 0.35 -0.35 1.21 0.21 -0.81 0.00 0.00 175.30 175.91 2pyj s LYS 114 N 2.21 4.43 -0.35 5.12 2.20 -1.26 0.15 119.74 132.24 2pyj s LYS 114 Ca 0.40 1.80 -0.14 0.00 -0.36 0.00 0.00 55.97 57.66 2pyj s LYS 114 Cb -0.17 -3.33 -0.01 0.00 -1.51 0.00 0.00 37.83 32.81 2pyj s LYS 114 CO 0.12 -0.26 0.30 0.42 -0.36 0.00 0.00 175.35 175.57 2pyj s ILE 115 N 1.02 5.23 0.15 5.43 -1.09 0.66 -4.91 121.20 127.70 2pyj s ILE 115 Ca 0.59 -0.16 -0.20 0.00 -2.23 0.00 0.00 60.65 58.65 2pyj s ILE 115 Cb -0.30 -3.78 0.05 0.00 -1.58 0.00 0.00 42.46 36.85 2pyj s ILE 115 CO 0.29 -0.08 0.52 -1.38 -1.23 0.00 0.00 174.94 173.07 2pyj s HIS 116 N 1.85 -0.37 -0.14 3.97 -3.43 -1.26 -0.20 115.29 115.71 2pyj s HIS 116 Ca 0.08 0.10 0.00 0.00 -0.80 0.00 0.00 55.06 54.44 2pyj s HIS 116 Cb -0.17 0.44 -0.01 0.00 -1.43 0.00 0.00 32.58 31.41 2pyj s HIS 116 CO 0.11 -0.81 -0.15 0.99 -2.00 0.00 0.00 174.74 172.88 2pyj s THR 117 N -3.79 2.83 -0.09 -5.38 2.01 -0.66 -3.60 115.64 106.97 2pyj s THR 117 Ca 0.03 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.32 2pyj s THR 117 Cb -0.00 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 2pyj s THR 117 CO -0.11 0.52 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.50 2pyj s VAL 118 N 0.53 2.95 -0.17 3.82 1.01 -0.61 -0.73 120.40 127.21 2pyj s VAL 118 Ca -0.09 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 2pyj s VAL 118 Cb -0.16 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 2pyj s VAL 118 CO 0.04 0.56 -0.03 -0.63 0.00 0.00 0.00 175.10 175.03 2pyj s ILE 119 N -0.17 3.80 0.43 2.22 1.01 0.24 -0.35 121.20 128.38 2pyj s ILE 119 Ca -0.01 -0.38 0.06 0.00 0.00 0.00 0.00 60.65 60.32 2pyj s ILE 119 Cb -0.13 -2.68 -0.06 0.00 0.01 0.00 0.00 42.46 39.60 2pyj s ILE 119 CO 0.03 0.47 0.05 -0.31 0.00 0.00 0.00 174.94 175.18 2pyj s TYR 120 N 0.63 2.38 -0.38 3.97 2.02 0.18 -1.26 117.35 124.89 2pyj s TYR 120 Ca -0.02 -0.72 -0.06 0.00 -0.37 0.00 0.00 57.07 55.89 2pyj s TYR 120 Cb -0.14 -1.78 0.07 0.00 -0.40 0.00 0.00 41.96 39.70 2pyj s TYR 120 CO 0.02 0.33 0.18 0.34 -1.57 0.00 0.00 175.55 174.85 2pyj s ASP 121 N -3.79 5.40 0.57 2.29 2.15 -1.24 -1.62 116.67 120.42 2pyj s ASP 121 Ca 0.30 -1.46 0.32 0.00 0.43 0.00 0.00 52.55 52.14 2pyj s ASP 121 Cb 0.07 -1.90 1.73 0.00 -0.30 0.00 0.00 42.92 42.52 2pyj s ASP 121 CO 0.16 -0.45 2.17 0.77 -0.17 0.00 0.00 175.17 177.65 2pyj h SER 122 N 8.25 0.00 0.11 -0.34 4.64 -1.35 -1.59 113.55 123.26 2pyj h SER 122 Ca -0.21 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.09 2pyj h SER 122 Cb 1.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2pyj h SER 122 CO 0.68 0.06 -0.09 0.25 -0.87 0.00 0.00 176.83 176.86 2pyj h LEU 123 N 0.00 0.00 -1.54 5.97 5.85 -1.77 0.16 115.31 123.98 2pyj h LEU 123 Ca -0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2pyj h LEU 123 Cb 0.20 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2pyj h LEU 123 CO 0.01 0.09 -0.20 0.11 -0.34 0.00 0.00 178.44 178.11 2pyj h LYS 124 N 0.00 0.00 0.00 1.25 1.79 -1.58 -2.35 116.57 115.67 2pyj h LYS 124 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2pyj h LYS 124 Cb 0.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2pyj h LYS 124 CO 0.01 0.20 -1.69 0.36 -1.08 0.00 0.00 179.45 177.25 2pyj n LYS 125 N -3.60 0.58 -3.43 3.15 2.85 -0.84 -1.42 118.16 115.44 2pyj n LYS 125 Ca -0.01 -0.14 -0.26 0.00 -1.05 0.00 0.00 58.31 56.84 2pyj n LYS 125 Cb 0.33 -1.38 -0.09 0.00 -0.65 0.00 0.00 35.03 33.24 2pyj n LYS 125 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2pyj n LEU 126 N -2.03 0.90 -3.54 -5.58 4.77 -0.02 -4.68 117.00 106.83 2pyj n LEU 126 Ca -0.03 -4.76 -0.40 0.00 -0.03 0.00 0.00 56.01 50.80 2pyj n LEU 126 Cb 0.42 0.17 -0.01 0.00 -2.33 0.00 0.00 43.42 41.67 2pyj n LEU 126 CO 0.35 1.92 2.97 -0.81 -1.33 0.00 0.00 177.39 180.49 2pyj n PRO 127 N 2.02 3.15 -3.79 3.23 -0.04 -0.89 -4.39 135.00 134.29 2pyj n PRO 127 Ca 0.26 -2.39 -0.10 0.00 -0.04 0.00 0.00 63.50 61.23 2pyj n PRO 127 Cb 0.46 -3.06 -0.07 0.00 -0.04 0.00 0.00 33.50 30.79 2pyj n PRO 127 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2pyj s PHE 128 N 2.83 0.00 0.61 0.54 0.40 -1.26 -5.11 117.98 116.00 2pyj s PHE 128 Ca 0.57 -0.28 -0.18 0.00 -0.60 0.00 0.00 56.93 56.43 2pyj s PHE 128 Cb 0.16 0.04 -0.03 0.00 0.51 0.00 0.00 43.02 43.70 2pyj s PHE 128 CO -0.07 -0.53 1.23 -2.14 0.70 0.00 0.00 175.22 174.41 2pyj s PRO 129 N -3.18 2.82 0.28 0.24 0.02 -1.26 -4.82 135.00 129.10 2pyj s PRO 129 Ca -0.00 1.88 0.00 0.00 0.02 0.00 0.00 61.00 62.90 2pyj s PRO 129 Cb 0.01 -1.90 0.64 0.00 0.02 0.00 0.00 34.50 33.28 2pyj s PRO 129 CO -0.07 -1.34 1.66 0.28 -0.33 0.00 0.00 177.00 177.20 2pyj h VAL 130 N 0.73 0.38 -0.45 3.83 2.07 -1.98 -1.05 116.25 119.78 2pyj h VAL 130 Ca -0.50 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 66.84 2pyj h VAL 130 Cb 1.31 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2pyj h VAL 130 CO 0.54 0.04 -0.08 0.11 0.02 0.00 0.00 177.57 178.21 2pyj h LYS 131 N 0.24 0.80 -0.42 1.57 1.57 -1.99 0.02 116.57 118.36 2pyj h LYS 131 Ca 0.52 -0.25 -0.12 0.00 -1.87 0.00 0.00 60.65 58.92 2pyj h LYS 131 Cb 1.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 2pyj h LYS 131 CO -0.61 0.86 -0.23 -0.22 -0.57 0.00 0.00 179.45 178.68 2pyj h LYS 132 N 0.73 0.86 -0.04 3.15 3.64 -1.61 -0.64 116.57 122.67 2pyj h LYS 132 Ca 0.13 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 2pyj h LYS 132 Cb 0.56 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2pyj h LYS 132 CO 0.03 1.00 0.01 0.82 -2.27 0.00 0.00 179.45 179.04 2pyj h ILE 133 N 0.74 0.98 -0.34 2.00 1.08 -0.90 -0.96 117.51 120.12 2pyj h ILE 133 Ca 0.10 -0.01 0.01 0.00 -0.39 0.00 0.00 64.86 64.57 2pyj h ILE 133 Cb 0.77 0.96 -0.02 0.00 -3.07 0.00 0.00 36.82 35.46 2pyj h ILE 133 CO 0.06 0.00 0.22 0.00 -0.69 0.00 0.00 178.15 177.74 2pyj h ALA 134 N 1.03 0.43 -0.18 1.87 0.00 -0.89 -0.71 119.26 120.81 2pyj h ALA 134 Ca 0.02 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2pyj h ALA 134 Cb 0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2pyj h ALA 134 CO -0.02 -0.12 -0.09 -0.22 0.00 0.00 0.00 179.25 178.79 2pyj h LYS 135 N 0.44 -0.07 0.00 0.00 3.64 -0.92 0.82 116.57 120.49 2pyj h LYS 135 Ca 0.13 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.35 2pyj h LYS 135 Cb -0.03 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 2pyj h LYS 135 CO -0.04 -0.05 -1.15 -0.44 -2.27 0.00 0.00 179.45 175.50 2pyj h ASP 136 N -0.07 0.00 0.25 4.20 3.32 -1.03 -3.09 116.42 120.00 2pyj h ASP 136 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2pyj h ASP 136 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2pyj h ASP 136 CO -0.22 0.62 -0.07 0.49 -1.72 0.00 0.00 179.24 178.34 2pyj n PHE 137 N -3.03 0.00 -3.29 4.55 3.72 -0.28 -4.83 117.46 114.30 2pyj n PHE 137 Ca -0.06 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.17 2pyj n PHE 137 Cb 0.83 -0.13 0.07 0.00 -0.94 0.00 0.00 39.48 39.32 2pyj n PHE 137 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2pyj n LYS 138 N -0.82 -6.00 -3.95 -1.08 4.76 -0.74 -5.03 118.16 105.31 2pyj n LYS 138 Ca 0.17 0.69 -0.35 0.00 -2.87 0.00 0.00 58.31 55.95 2pyj n LYS 138 Cb 0.26 -5.28 -0.06 0.00 -1.84 0.00 0.00 35.03 28.11 2pyj n LYS 138 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2pyj s LEU 139 N -5.88 4.27 0.28 -0.35 1.43 0.21 -5.04 118.68 113.60 2pyj s LEU 139 Ca 0.23 0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 53.39 2pyj s LEU 139 Cb -0.10 -2.33 -0.11 0.00 0.03 0.00 0.00 46.19 43.68 2pyj s LEU 139 CO 0.60 0.32 1.56 0.42 0.23 0.00 0.00 176.35 179.49 2pyj s THR 140 N -1.18 2.20 -0.02 5.49 -4.23 -1.26 -4.53 115.64 112.12 2pyj s THR 140 Ca 0.21 0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 2pyj s THR 140 Cb -0.12 -3.11 0.02 0.00 1.34 0.00 0.00 72.50 70.62 2pyj s THR 140 CO 0.12 0.03 0.00 0.54 -0.54 0.00 0.00 174.62 174.77 2pyj s VAL 141 N 0.03 0.10 0.06 2.29 0.11 -1.26 -4.87 120.40 116.86 2pyj s VAL 141 Ca 0.63 0.05 -0.30 0.00 -2.93 0.00 0.00 61.98 59.43 2pyj s VAL 141 Cb -0.46 -0.16 -0.05 0.00 -1.53 0.00 0.00 36.38 34.18 2pyj s VAL 141 CO 0.46 0.09 1.02 -0.76 -3.33 0.00 0.00 175.10 172.58 2pyj s LEU 142 N 0.59 4.43 0.21 2.54 1.43 -1.26 -5.02 118.68 121.59 2pyj s LEU 142 Ca -0.05 1.80 -0.30 0.00 -1.03 0.00 0.00 54.13 54.55 2pyj s LEU 142 Cb -0.08 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.48 2pyj s LEU 142 CO -0.01 -0.22 1.04 -0.54 0.23 0.00 0.00 176.35 176.85 2pyj s LYS 143 N 0.53 4.68 0.00 1.70 1.02 -1.26 -4.85 119.74 121.57 2pyj s LYS 143 Ca 0.51 1.65 0.00 0.00 0.02 0.00 0.00 55.97 58.15 2pyj s LYS 143 Cb -0.24 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 2pyj s LYS 143 CO 0.30 0.23 0.00 0.41 -0.92 0.00 0.00 175.35 175.37 2pyj n GLY 144 N 1.72 -1.17 3.26 -3.33 0.00 -1.26 -5.10 105.19 99.30 2pyj n GLY 144 Ca 0.01 -2.16 -0.09 0.00 0.00 0.00 0.00 46.02 43.77 2pyj n GLY 144 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pyj s ASP 145 N -3.37 0.09 0.72 1.61 2.15 -1.26 -5.16 116.67 111.46 2pyj s ASP 145 Ca 0.00 -0.76 -0.14 0.00 0.43 0.00 0.00 52.55 52.07 2pyj s ASP 145 Cb 0.00 0.38 0.03 0.00 -0.30 0.00 0.00 42.92 43.03 2pyj s ASP 145 CO 0.00 -0.80 1.15 -0.63 -0.17 0.00 0.00 175.17 174.72 2pyj s ILE 146 N -3.91 2.80 -1.21 4.11 1.01 -1.26 -4.91 121.20 117.83 2pyj s ILE 146 Ca 0.11 0.36 -0.11 0.00 0.00 0.00 0.00 60.65 61.00 2pyj s ILE 146 Cb 0.04 -2.84 0.19 0.00 0.01 0.00 0.00 42.46 39.86 2pyj s ILE 146 CO -0.06 -0.25 1.52 0.47 0.00 0.00 0.00 174.94 176.63 2pyj n ASP 147 N -2.81 5.32 -4.95 3.58 8.00 -1.26 -4.97 116.55 119.46 2pyj n ASP 147 Ca 0.11 -3.06 -0.23 0.00 0.71 0.00 0.00 54.79 52.32 2pyj n ASP 147 Cb 0.51 -1.50 0.02 0.00 -0.02 0.00 0.00 41.12 40.14 2pyj n ASP 147 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2pyj s TYR 148 N 0.53 3.13 -0.80 1.24 1.51 -1.26 -3.40 117.35 118.30 2pyj s TYR 148 Ca 0.40 0.26 -0.02 0.00 -1.01 0.00 0.00 57.07 56.70 2pyj s TYR 148 Cb 0.00 -2.54 0.38 0.00 -0.11 0.00 0.00 41.96 39.69 2pyj s TYR 148 CO 0.00 -0.62 2.02 0.72 -1.11 0.00 0.00 175.55 176.56 2pyj n HIS 149 N -2.28 3.05 -2.21 2.71 -0.00 -1.26 -5.10 115.22 110.13 2pyj n HIS 149 Ca 0.04 -2.50 -0.38 0.00 -0.00 0.00 0.00 57.72 54.87 2pyj n HIS 149 Cb 0.58 -1.24 -0.01 0.00 -0.00 0.00 0.00 29.99 29.32 2pyj n HIS 149 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 2pyj s LYS 150 N -4.01 3.89 0.24 -0.41 2.20 -1.22 -5.01 119.74 115.41 2pyj s LYS 150 Ca 0.55 1.89 -0.17 0.00 -0.36 0.00 0.00 55.97 57.88 2pyj s LYS 150 Cb 0.46 -2.58 -0.08 0.00 -1.51 0.00 0.00 37.83 34.12 2pyj s LYS 150 CO -0.32 -0.47 0.70 -1.83 -0.36 0.00 0.00 175.35 173.07 2pyj s GLU 151 N -2.45 4.14 -0.32 4.03 -1.05 -1.26 -5.04 118.70 116.74 2pyj s GLU 151 Ca 0.60 0.75 -0.00 0.00 -0.15 0.00 0.00 54.97 56.17 2pyj s GLU 151 Cb -0.32 -2.77 0.13 0.00 -0.44 0.00 0.00 34.13 30.73 2pyj s GLU 151 CO 0.39 0.35 0.27 1.03 0.95 0.00 0.00 175.26 178.25 2pyj s ARG 152 N -2.24 0.41 1.07 -4.83 0.52 -1.26 -5.14 118.95 107.48 2pyj s ARG 152 Ca 0.45 -0.61 -0.12 0.00 -0.52 0.00 0.00 55.73 54.93 2pyj s ARG 152 Cb -0.15 -0.89 0.23 0.00 0.52 0.00 0.00 34.95 34.66 2pyj s ARG 152 CO 0.20 -1.10 1.06 -1.25 0.02 0.00 0.00 175.30 174.23 2pyj s PRO 153 N 1.84 -0.15 0.16 3.54 0.04 -1.26 -4.78 135.00 134.40 2pyj s PRO 153 Ca 0.13 0.83 -0.32 0.00 0.04 0.00 0.00 61.00 61.68 2pyj s PRO 153 Cb -0.16 -1.64 -0.12 0.00 0.04 0.00 0.00 34.50 32.61 2pyj s PRO 153 CO -0.20 -3.21 1.74 0.28 0.04 0.00 0.00 177.00 175.65 2pyj n VAL 154 N -4.55 0.14 -0.36 -0.36 0.31 -1.26 -0.86 118.33 111.38 2pyj n VAL 154 Ca 0.05 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2pyj n VAL 154 Cb 0.55 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 2pyj n VAL 154 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pyj n GLY 155 N 3.96 0.71 3.58 2.92 0.00 -1.26 -5.04 105.19 110.06 2pyj n GLY 155 Ca 0.17 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.71 2pyj n GLY 155 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2pyj n TYR 156 N -2.07 1.33 -3.49 1.61 9.36 -0.04 -4.93 117.16 118.93 2pyj n TYR 156 Ca 0.00 0.67 -0.37 0.00 3.32 0.00 0.00 57.90 61.52 2pyj n TYR 156 Cb 0.00 -2.28 -0.08 0.00 -0.63 0.00 0.00 39.34 36.35 2pyj n TYR 156 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2pyj s LYS 157 N -0.61 4.20 0.19 2.98 1.02 -1.26 -4.91 119.74 121.35 2pyj s LYS 157 Ca 0.70 0.08 -0.30 0.00 0.02 0.00 0.00 55.97 56.47 2pyj s LYS 157 Cb -0.81 -3.49 -0.08 0.00 -0.52 0.00 0.00 37.83 32.93 2pyj s LYS 157 CO 0.53 0.10 1.27 0.42 -0.92 0.00 0.00 175.35 176.76 2pyj s ILE 158 N 0.89 3.33 0.55 2.17 1.01 -1.26 -5.03 121.20 122.86 2pyj s ILE 158 Ca 0.16 1.10 -0.08 0.00 0.00 0.00 0.00 60.65 61.83 2pyj s ILE 158 Cb -0.14 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 2pyj s ILE 158 CO 0.06 0.17 0.89 0.42 0.00 0.00 0.00 174.94 176.48 2pyj s THR 159 N 0.08 4.69 0.31 2.92 -4.23 -1.26 -4.90 115.64 113.25 2pyj s THR 159 Ca 0.56 0.44 0.03 0.00 -1.18 0.00 0.00 61.69 61.54 2pyj s THR 159 Cb -0.35 -3.82 0.29 0.00 1.34 0.00 0.00 72.50 69.96 2pyj s THR 159 CO 0.38 -0.92 1.86 -0.65 -0.54 0.00 0.00 174.62 174.74 2pyj h PRO 160 N -0.04 0.89 0.77 3.99 0.11 -1.99 -0.61 132.00 135.13 2pyj h PRO 160 Ca -0.46 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 2pyj h PRO 160 Cb 1.20 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 32.12 2pyj h PRO 160 CO 0.62 0.59 -0.37 1.49 -0.21 0.00 0.00 178.00 180.12 2pyj h GLU 161 N 0.92 -0.99 -0.59 1.05 4.81 -2.00 -1.76 114.58 116.02 2pyj h GLU 161 Ca 0.46 0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.83 2pyj h GLU 161 Cb 0.49 0.23 -0.06 0.00 0.63 0.00 0.00 28.75 30.04 2pyj h GLU 161 CO -0.22 -0.66 0.28 0.93 -0.73 0.00 0.00 179.01 178.60 2pyj h GLU 162 N -1.03 0.50 -0.65 1.92 5.08 -1.89 -1.71 114.58 116.80 2pyj h GLU 162 Ca -0.11 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.30 2pyj h GLU 162 Cb 0.79 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.86 2pyj h GLU 162 CO 0.17 0.33 0.31 -0.92 -1.00 0.00 0.00 179.01 177.91 2pyj h TYR 163 N 0.51 0.56 -0.67 4.33 5.03 -1.07 0.09 116.97 125.77 2pyj h TYR 163 Ca 0.28 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.55 2pyj h TYR 163 Cb 0.25 -0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.35 2pyj h TYR 163 CO -0.12 0.22 0.17 0.00 -1.32 0.00 0.00 178.16 177.11 2pyj h ALA 164 N 1.39 0.88 -0.55 1.82 0.00 -0.69 0.70 119.26 122.81 2pyj h ALA 164 Ca 0.31 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2pyj h ALA 164 Cb 0.30 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2pyj h ALA 164 CO -0.24 0.59 0.18 1.88 0.00 0.00 0.00 179.25 181.65 2pyj h TYR 165 N 0.99 0.88 -0.18 0.00 0.05 -0.59 0.12 116.97 118.24 2pyj h TYR 165 Ca 0.21 -0.09 -0.02 0.00 0.05 0.00 0.00 58.73 58.88 2pyj h TYR 165 Cb 0.35 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 2pyj h TYR 165 CO 0.03 0.74 0.03 0.82 -1.05 0.00 0.00 178.16 178.73 2pyj h ILE 166 N 0.76 1.22 -0.54 -2.88 2.04 -0.84 -0.55 117.51 116.72 2pyj h ILE 166 Ca 0.18 -0.72 0.04 0.00 1.00 0.00 0.00 64.86 65.36 2pyj h ILE 166 Cb 0.27 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 2pyj h ILE 166 CO -0.01 0.22 0.29 0.50 0.00 0.00 0.00 178.15 179.16 2pyj h LYS 167 N 0.08 0.55 -0.77 2.37 3.64 -0.75 -1.84 116.57 119.86 2pyj h LYS 167 Ca 0.05 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2pyj h LYS 167 Cb 0.31 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 2pyj h LYS 167 CO 0.00 0.37 0.37 -0.97 -2.27 0.00 0.00 179.45 176.95 2pyj h ASN 168 N 0.57 1.00 0.05 4.20 -1.24 -0.63 -1.19 115.58 118.34 2pyj h ASN 168 Ca 0.23 -0.14 -0.00 0.00 0.71 0.00 0.00 56.30 57.11 2pyj h ASN 168 Cb 0.10 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 38.90 2pyj h ASN 168 CO -0.14 0.86 -0.03 0.44 -1.29 0.00 0.00 177.43 177.26 2pyj h ASP 169 N 1.08 -0.08 0.41 1.15 3.32 -0.69 -0.81 116.42 120.80 2pyj h ASP 169 Ca 0.26 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.20 2pyj h ASP 169 Cb 0.12 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2pyj h ASP 169 CO -0.03 -0.05 -0.52 0.16 -1.72 0.00 0.00 179.24 177.07 2pyj h ILE 170 N -0.08 1.37 -0.34 0.35 3.07 -1.31 -3.15 117.51 117.42 2pyj h ILE 170 Ca -0.00 -1.79 -0.16 0.00 1.55 0.00 0.00 64.86 64.46 2pyj h ILE 170 Cb 0.07 1.91 -0.00 0.00 -0.27 0.00 0.00 36.82 38.53 2pyj h ILE 170 CO 0.00 0.52 -0.40 -0.61 -1.05 0.00 0.00 178.15 176.62 2pyj h GLN 171 N 0.10 0.87 -0.54 0.16 4.15 -1.00 -1.54 115.11 117.32 2pyj h GLN 171 Ca 0.00 -0.48 0.05 0.00 0.77 0.00 0.00 58.65 58.99 2pyj h GLN 171 Cb 0.96 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.63 2pyj h GLN 171 CO 0.07 1.12 0.27 0.82 -1.93 0.00 0.00 178.83 179.19 2pyj h ILE 172 N 0.67 0.95 -0.22 2.39 2.04 -1.17 0.55 117.51 122.71 2pyj h ILE 172 Ca 0.05 -0.18 -0.16 0.00 1.00 0.00 0.00 64.86 65.56 2pyj h ILE 172 Cb 0.99 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2pyj h ILE 172 CO 0.10 0.10 -0.53 0.40 0.00 0.00 0.00 178.15 178.22 2pyj h ILE 173 N 0.53 1.31 -0.63 -0.67 1.08 -1.53 -1.40 117.51 116.20 2pyj h ILE 173 Ca 0.24 -1.75 -0.02 0.00 -0.39 0.00 0.00 64.86 62.94 2pyj h ILE 173 Cb 0.14 1.70 -0.03 0.00 -3.07 0.00 0.00 36.82 35.57 2pyj h ILE 173 CO -0.16 0.55 0.32 0.00 -0.69 0.00 0.00 178.15 178.17 2pyj h ALA 174 N 0.91 0.81 -0.22 1.87 0.00 -0.94 0.18 119.26 121.88 2pyj h ALA 174 Ca 0.02 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2pyj h ALA 174 Cb 1.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2pyj h ALA 174 CO 0.10 0.36 -0.11 0.93 0.00 0.00 0.00 179.25 180.54 2pyj h GLU 175 N 0.87 0.47 -0.43 0.00 5.08 -0.80 -1.12 114.58 118.64 2pyj h GLU 175 Ca 0.22 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2pyj h GLU 175 Cb 0.09 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2pyj h GLU 175 CO -0.03 0.74 0.05 0.00 -1.00 0.00 0.00 179.01 178.77 2pyj h ALA 176 N 0.71 0.57 -0.66 3.43 0.00 -1.15 -1.50 119.26 120.67 2pyj h ALA 176 Ca 0.05 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2pyj h ALA 176 Cb 0.60 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2pyj h ALA 176 CO 0.03 0.31 0.15 -0.07 0.00 0.00 0.00 179.25 179.67 2pyj h LEU 177 N 0.58 1.01 -0.48 0.00 3.38 -1.01 -1.09 115.31 117.70 2pyj h LEU 177 Ca 0.13 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2pyj h LEU 177 Cb 0.40 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2pyj h LEU 177 CO 0.01 0.99 0.32 0.25 0.09 0.00 0.00 178.44 180.10 2pyj h LEU 178 N 0.99 0.56 -0.42 1.67 5.85 -1.02 0.01 115.31 122.95 2pyj h LEU 178 Ca 0.20 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2pyj h LEU 178 Cb 0.39 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2pyj h LEU 178 CO 0.01 0.41 0.23 0.40 -0.34 0.00 0.00 178.44 179.15 2pyj h ILE 179 N 0.65 1.15 -0.93 4.05 2.04 -1.15 -0.68 117.51 122.65 2pyj h ILE 179 Ca 0.18 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2pyj h ILE 179 Cb -0.07 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 2pyj h ILE 179 CO -0.04 0.16 0.58 1.56 0.00 0.00 0.00 178.15 180.42 2pyj h GLN 180 N 0.55 1.24 -0.79 2.37 1.08 -0.87 -1.11 115.11 117.58 2pyj h GLN 180 Ca 0.15 -0.10 -0.03 0.00 -1.45 0.00 0.00 58.65 57.22 2pyj h GLN 180 Cb 0.05 -0.27 -0.04 0.00 -0.05 0.00 0.00 27.48 27.18 2pyj h GLN 180 CO -0.02 0.85 0.36 0.74 -0.95 0.00 0.00 178.83 179.80 2pyj h PHE 181 N 1.27 1.15 0.00 2.96 0.04 -0.50 -0.23 116.94 121.62 2pyj h PHE 181 Ca 0.34 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 61.04 2pyj h PHE 181 Cb -0.09 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 37.70 2pyj h PHE 181 CO 0.00 0.85 0.00 0.87 -0.60 0.00 0.00 178.31 179.43 2pyj h LYS 182 N 1.12 0.00 -0.04 1.51 1.79 -0.60 -1.41 116.57 118.95 2pyj h LYS 182 Ca 0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 2pyj h LYS 182 Cb 0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2pyj h LYS 182 CO -0.03 0.00 0.00 1.04 -1.08 0.00 0.00 179.45 179.38 2pyj n GLN 183 N -3.02 1.62 -0.51 3.15 6.02 -0.47 -4.93 117.38 119.24 2pyj n GLN 183 Ca 0.00 -0.91 0.00 0.00 -0.01 0.00 0.00 57.00 56.09 2pyj n GLN 183 Cb 0.28 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.07 2pyj n GLN 183 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pyj n GLY 184 N 1.15 0.75 3.34 1.08 0.00 -0.53 -5.01 105.19 105.97 2pyj n GLY 184 Ca 0.19 -0.01 -0.46 0.00 0.00 0.00 0.00 46.02 45.74 2pyj n GLY 184 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pyj s LEU 185 N 0.00 6.49 -0.07 0.99 1.43 -0.20 -4.84 118.68 122.48 2pyj s LEU 185 Ca 0.00 -2.99 0.11 0.00 -1.03 0.00 0.00 54.13 50.22 2pyj s LEU 185 Cb 0.00 -2.22 0.16 0.00 0.03 0.00 0.00 46.19 44.16 2pyj s LEU 185 CO 0.00 -0.50 1.08 -0.90 0.23 0.00 0.00 176.35 176.26 2pyj n ASP 186 N 3.69 2.18 -4.84 2.29 3.85 -1.26 -3.90 116.55 118.56 2pyj n ASP 186 Ca 0.19 -2.61 -0.22 0.00 -0.71 0.00 0.00 54.79 51.44 2pyj n ASP 186 Cb 0.44 -0.24 0.08 0.00 -1.35 0.00 0.00 41.12 40.05 2pyj n ASP 186 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 2pyj s ARG 187 N -2.05 2.05 0.14 0.11 1.81 -1.26 -5.01 118.95 114.74 2pyj s ARG 187 Ca 0.18 -1.21 0.27 0.00 -1.72 0.00 0.00 55.73 53.25 2pyj s ARG 187 Cb 0.16 -2.47 0.84 0.00 -0.45 0.00 0.00 34.95 33.03 2pyj s ARG 187 CO 0.02 -1.10 1.74 0.00 -0.68 0.00 0.00 175.30 175.28 2pyj n MET 188 N -2.54 0.20 -4.24 3.54 0.00 -1.26 -4.86 117.12 107.96 2pyj n MET 188 Ca 0.14 0.14 -0.14 0.00 0.00 0.00 0.00 57.70 57.84 2pyj n MET 188 Cb 0.61 -1.71 -0.10 0.00 0.00 0.00 0.00 33.22 32.02 2pyj n MET 188 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2pyj s THR 189 N -3.08 0.15 0.10 3.17 -4.23 -1.26 -4.48 115.64 106.00 2pyj s THR 189 Ca 0.11 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.48 2pyj s THR 189 Cb 0.14 -2.53 -0.11 0.00 1.34 0.00 0.00 72.50 71.34 2pyj s THR 189 CO 0.60 0.00 1.38 0.00 -0.54 0.00 0.00 174.62 176.06 2pyj h ALA 190 N 2.54 0.40 -0.94 3.99 0.00 -1.51 -1.18 119.26 122.54 2pyj h ALA 190 Ca -0.36 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2pyj h ALA 190 Cb 1.25 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 2pyj h ALA 190 CO 0.54 0.53 0.60 0.78 0.00 0.00 0.00 179.25 181.71 2pyj h GLY 191 N 0.48 1.34 1.31 0.00 0.00 -1.90 0.47 103.07 104.78 2pyj h GLY 191 Ca 0.02 -0.52 -0.18 0.00 0.00 0.00 0.00 47.33 46.65 2pyj h GLY 191 CO 0.10 0.51 -0.56 1.76 0.00 0.00 0.00 176.54 178.35 2pyj h SER 192 N 1.29 0.81 -0.95 0.19 0.02 -1.93 -1.60 113.55 111.37 2pyj h SER 192 Ca 0.34 -0.44 0.07 0.00 -0.84 0.00 0.00 61.79 60.93 2pyj h SER 192 Cb -0.11 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.13 2pyj h SER 192 CO -0.07 1.20 0.62 0.44 -1.14 0.00 0.00 176.83 177.87 2pyj h ASP 193 N 0.55 0.96 -0.02 3.07 3.45 -0.68 -1.68 116.42 122.07 2pyj h ASP 193 Ca 0.01 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.47 2pyj h ASP 193 Cb 1.14 -0.19 -0.00 0.00 -0.56 0.00 0.00 39.33 39.71 2pyj h ASP 193 CO 0.11 0.61 -0.03 -1.28 -1.57 0.00 0.00 179.24 177.09 2pyj h SER 194 N 1.08 0.06 -0.78 6.45 0.87 -0.63 -1.89 113.55 118.72 2pyj h SER 194 Ca 0.42 -0.49 -0.04 0.00 -1.23 0.00 0.00 61.79 60.44 2pyj h SER 194 Cb 0.21 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.12 2pyj h SER 194 CO -0.17 0.54 0.33 0.25 -0.53 0.00 0.00 176.83 177.26 2pyj h LEU 195 N -0.42 1.06 -0.23 2.23 5.85 -1.26 -1.98 115.31 120.56 2pyj h LEU 195 Ca 0.00 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.62 2pyj h LEU 195 Cb 0.53 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 2pyj h LEU 195 CO 0.01 0.93 -0.09 0.50 -0.34 0.00 0.00 178.44 179.44 2pyj h LYS 196 N 1.13 -0.05 -0.80 1.25 3.64 -1.31 -0.92 116.57 119.51 2pyj h LYS 196 Ca 0.26 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.69 2pyj h LYS 196 Cb 0.19 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 2pyj h LYS 196 CO -0.02 -0.03 0.50 0.78 -2.27 0.00 0.00 179.45 178.40 2pyj h GLY 197 N -0.05 1.18 0.86 5.01 0.00 -0.89 0.14 103.07 109.32 2pyj h GLY 197 Ca 0.12 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 2pyj h GLY 197 CO -0.27 0.29 0.05 -2.75 0.00 0.00 0.00 176.54 173.87 2pyj h PHE 198 N 0.96 0.38 -0.59 5.60 3.57 -1.19 -2.79 116.94 122.87 2pyj h PHE 198 Ca 0.33 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 2pyj h PHE 198 Cb 0.07 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 2pyj h PHE 198 CO -0.03 0.46 0.32 0.87 -2.23 0.00 0.00 178.31 177.70 2pyj h LYS 199 N 0.18 0.80 -0.48 1.11 1.57 -0.64 -1.20 116.57 117.91 2pyj h LYS 199 Ca 0.07 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 2pyj h LYS 199 Cb 0.28 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 2pyj h LYS 199 CO 0.00 0.59 0.23 -0.44 -0.57 0.00 0.00 179.45 179.26 2pyj h ASP 200 N 0.81 0.31 -0.16 0.86 3.32 -0.61 0.91 116.42 121.87 2pyj h ASP 200 Ca 0.21 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.17 2pyj h ASP 200 Cb 0.02 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2pyj h ASP 200 CO -0.03 0.22 -0.37 0.40 -1.72 0.00 0.00 179.24 177.74 2pyj h ILE 201 N 0.45 1.35 0.00 0.35 2.04 -1.16 -3.26 117.51 117.28 2pyj h ILE 201 Ca 0.22 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.44 2pyj h ILE 201 Cb 0.15 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 2pyj h ILE 201 CO -0.17 0.49 -0.58 2.30 0.00 0.00 0.00 178.15 180.20 2pyj n ILE 202 N -4.31 0.04 -0.15 -0.67 -5.35 -0.50 -5.07 119.36 103.34 2pyj n ILE 202 Ca -0.07 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 2pyj n ILE 202 Cb 0.52 0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 2pyj n ILE 202 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2pyj n THR 203 N -1.58 -1.41 -0.33 7.28 -2.24 0.32 -4.36 114.28 111.96 2pyj n THR 203 Ca 0.05 0.23 -0.03 0.00 -2.27 0.00 0.00 64.05 62.03 2pyj n THR 203 Cb 0.35 -0.42 0.10 0.00 -2.10 0.00 0.00 70.33 68.26 2pyj n THR 203 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2pyj h THR 204 N 0.17 1.20 -0.46 4.28 2.02 -1.86 -1.77 112.91 116.48 2pyj h THR 204 Ca 0.00 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 66.70 2pyj h THR 204 Cb 0.00 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.32 2pyj h THR 204 CO 0.00 0.21 -0.02 0.11 0.37 0.00 0.00 175.52 176.19 2pyj h LYS 205 N 1.17 0.77 -0.33 6.66 1.57 -1.91 -1.58 116.57 122.92 2pyj h LYS 205 Ca 0.33 -0.21 -0.17 0.00 -1.87 0.00 0.00 60.65 58.73 2pyj h LYS 205 Cb -0.09 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 2pyj h LYS 205 CO -0.08 0.79 -0.45 -0.22 -0.57 0.00 0.00 179.45 178.91 2pyj h LYS 206 N 0.72 0.87 -0.25 3.15 3.64 -1.70 -2.75 116.57 120.25 2pyj h LYS 206 Ca 0.14 -0.50 0.05 0.00 -1.27 0.00 0.00 60.65 59.08 2pyj h LYS 206 Cb 0.47 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 2pyj h LYS 206 CO 0.02 1.14 -0.10 0.35 -2.27 0.00 0.00 179.45 178.59 2pyj h PHE 207 N 0.69 -0.24 -0.95 1.91 3.57 -1.04 0.45 116.94 121.34 2pyj h PHE 207 Ca 0.04 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.65 2pyj h PHE 207 Cb 1.05 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.86 2pyj h PHE 207 CO 0.06 -0.16 0.60 -0.22 -2.23 0.00 0.00 178.31 176.36 2pyj h LYS 208 N -0.06 1.01 -0.06 1.11 1.63 -1.28 0.80 116.57 119.72 2pyj h LYS 208 Ca 0.13 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.84 2pyj h LYS 208 Cb 0.25 -0.23 -0.00 0.00 -0.60 0.00 0.00 32.23 31.66 2pyj h LYS 208 CO -0.29 0.67 -0.08 -0.22 -3.45 0.00 0.00 179.45 176.08 2pyj h LYS 209 N 1.04 0.16 0.00 1.90 3.64 -1.13 -3.29 116.57 118.90 2pyj h LYS 209 Ca 0.43 -0.09 -0.15 0.00 -1.27 0.00 0.00 60.65 59.57 2pyj h LYS 209 Cb 0.26 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 2pyj h LYS 209 CO -0.20 0.63 -0.72 0.28 -2.27 0.00 0.00 179.45 177.17 2pyj h VAL 210 N -0.29 1.45 -2.66 2.00 2.07 -0.64 -3.37 116.25 114.80 2pyj h VAL 210 Ca 0.01 -2.51 -0.61 0.00 0.82 0.00 0.00 66.70 64.41 2pyj h VAL 210 Cb 0.61 2.38 -0.41 0.00 -1.52 0.00 0.00 31.29 32.34 2pyj h VAL 210 CO 0.02 0.70 -0.66 0.49 0.02 0.00 0.00 177.57 178.14 2pyj n PHE 211 N -3.59 2.65 -1.85 1.57 3.01 0.25 -0.36 117.46 119.14 2pyj n PHE 211 Ca -0.01 -4.10 -0.33 0.00 1.01 0.00 0.00 57.45 54.03 2pyj n PHE 211 Cb 0.72 -0.48 0.03 0.00 -0.01 0.00 0.00 39.48 39.74 2pyj n PHE 211 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2pyj s PRO 212 N -1.58 3.04 -0.22 -1.08 0.04 -1.24 -4.68 135.00 129.29 2pyj s PRO 212 Ca 0.31 1.24 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 2pyj s PRO 212 Cb 0.04 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 2pyj s PRO 212 CO -0.12 -1.04 1.40 -0.08 0.04 0.00 0.00 177.00 177.19 2pyj s THR 213 N -2.50 4.03 0.49 1.26 -1.32 -1.26 -4.87 115.64 111.46 2pyj s THR 213 Ca 0.64 1.20 -0.19 0.00 -1.21 0.00 0.00 61.69 62.12 2pyj s THR 213 Cb -0.17 -3.94 -0.08 0.00 -1.51 0.00 0.00 72.50 66.80 2pyj s THR 213 CO 0.41 -0.29 1.01 -0.76 -2.21 0.00 0.00 174.62 172.79 2pyj s LEU 214 N 4.26 3.79 0.91 9.08 1.43 -1.26 -5.04 118.68 131.84 2pyj s LEU 214 Ca 0.61 1.81 -0.10 0.00 -1.03 0.00 0.00 54.13 55.41 2pyj s LEU 214 Cb -0.22 -4.54 0.14 0.00 0.03 0.00 0.00 46.19 41.60 2pyj s LEU 214 CO 0.22 -0.71 1.12 -0.94 0.23 0.00 0.00 176.35 176.27 2pyj s SER 215 N -2.29 3.10 0.16 2.29 1.04 -1.26 -4.73 113.70 112.00 2pyj s SER 215 Ca 0.64 2.00 -0.15 0.00 0.48 0.00 0.00 55.95 58.92 2pyj s SER 215 Cb -0.14 -2.51 0.09 0.00 0.10 0.00 0.00 66.02 63.56 2pyj s SER 215 CO 0.22 -2.96 1.74 -0.07 0.98 0.00 0.00 173.24 173.16 2pyj h LEU 216 N -1.77 0.10 -0.58 2.42 3.38 -1.99 -0.29 115.31 116.58 2pyj h LEU 216 Ca -0.45 0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.41 2pyj h LEU 216 Cb 1.27 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 2pyj h LEU 216 CO 0.45 0.09 -0.60 1.23 0.09 0.00 0.00 178.44 179.70 2pyj h GLY 217 N 0.26 0.38 0.81 0.83 0.00 -1.98 -0.96 103.07 102.41 2pyj h GLY 217 Ca 0.18 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 2pyj h GLY 217 CO -0.20 0.42 -0.05 -2.00 0.00 0.00 0.00 176.54 174.71 2pyj h LEU 218 N 0.26 0.40 -0.95 3.11 5.85 -1.88 -1.96 115.31 120.13 2pyj h LEU 218 Ca -0.01 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.30 2pyj h LEU 218 Cb 1.13 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 2pyj h LEU 218 CO 0.10 0.67 0.16 -0.78 -0.34 0.00 0.00 178.44 178.25 2pyj h ASP 219 N 0.12 0.86 -0.88 1.25 1.82 -1.02 -0.59 116.42 117.99 2pyj h ASP 219 Ca 0.05 -0.16 0.03 0.00 -0.39 0.00 0.00 57.03 56.56 2pyj h ASP 219 Cb 0.50 -0.23 -0.05 0.00 0.68 0.00 0.00 39.33 40.23 2pyj h ASP 219 CO 0.02 0.83 0.57 0.50 -1.61 0.00 0.00 179.24 179.55 2pyj h LYS 220 N 0.89 1.10 -0.22 0.28 3.64 -1.14 -0.72 116.57 120.40 2pyj h LYS 220 Ca 0.20 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 2pyj h LYS 220 Cb 0.30 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2pyj h LYS 220 CO -0.00 0.73 0.02 1.49 -2.27 0.00 0.00 179.45 179.41 2pyj h GLU 221 N 1.13 0.37 -0.32 1.90 4.81 -0.75 -2.85 114.58 118.87 2pyj h GLU 221 Ca 0.34 -0.11 0.06 0.00 -0.13 0.00 0.00 59.36 59.52 2pyj h GLU 221 Cb -0.04 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.24 2pyj h GLU 221 CO -0.10 0.54 -0.08 0.28 -0.73 0.00 0.00 179.01 178.92 2pyj h VAL 222 N 0.15 0.68 0.00 0.32 2.07 -0.93 -2.61 116.25 115.94 2pyj h VAL 222 Ca 0.06 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 2pyj h VAL 222 Cb 0.37 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2pyj h VAL 222 CO 0.01 0.00 -0.00 0.03 0.02 0.00 0.00 177.57 177.63 2pyj h ARG 223 N 0.00 0.00 -0.11 1.57 3.08 -1.01 -0.05 114.38 117.86 2pyj h ARG 223 Ca 0.15 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.24 2pyj h ARG 223 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 2pyj h ARG 223 CO -0.33 0.00 0.10 1.88 -1.07 0.00 0.00 179.97 180.55 2pyj h TYR 224 N 0.00 0.00 -0.02 3.04 0.99 -1.23 -2.56 116.97 117.19 2pyj h TYR 224 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2pyj h TYR 224 Cb 0.03 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.76 2pyj h TYR 224 CO 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 178.16 178.05 2pyj n ALA 225 N -2.43 2.71 -2.60 3.88 0.00 -0.04 -4.58 120.51 117.45 2pyj n ALA 225 Ca -0.00 -0.65 -0.43 0.00 0.00 0.00 0.00 53.44 52.36 2pyj n ALA 225 Cb 0.21 -0.71 -0.04 0.00 0.00 0.00 0.00 19.45 18.92 2pyj n ALA 225 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2pyj s TYR 226 N -1.88 3.08 0.28 0.00 5.04 -0.96 -4.70 117.35 118.21 2pyj s TYR 226 Ca 0.22 0.73 0.02 0.00 -2.44 0.00 0.00 57.07 55.61 2pyj s TYR 226 Cb 0.17 -3.61 -0.05 0.00 0.35 0.00 0.00 41.96 38.82 2pyj s TYR 226 CO 0.33 -0.81 0.10 1.03 -1.34 0.00 0.00 175.55 174.85 2pyj s ARG 227 N 3.41 1.51 0.00 4.97 0.52 -1.26 -5.02 118.95 123.08 2pyj s ARG 227 Ca 0.37 -1.83 0.00 0.00 -0.52 0.00 0.00 55.73 53.75 2pyj s ARG 227 Cb -0.12 -0.36 0.00 0.00 0.52 0.00 0.00 34.95 34.99 2pyj s ARG 227 CO 0.18 -0.31 0.00 0.41 0.02 0.00 0.00 175.30 175.60 2pyj n GLY 228 N -0.54 3.04 3.85 -3.53 0.00 -1.26 -4.78 105.19 101.96 2pyj n GLY 228 Ca -0.01 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 2pyj n GLY 228 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pyj s GLY 229 N 0.00 1.93 -0.57 -0.02 0.00 -1.26 -4.90 107.32 102.50 2pyj s GLY 229 Ca 0.00 0.05 -0.26 0.00 0.00 0.00 0.00 44.72 44.51 2pyj s GLY 229 CO 0.00 0.32 1.07 -0.12 0.00 0.00 0.00 173.10 174.36 2pyj s PHE 230 N -2.75 2.70 -0.26 1.90 5.36 -1.26 -4.83 117.98 118.85 2pyj s PHE 230 Ca 0.57 0.20 0.02 0.00 -0.96 0.00 0.00 56.93 56.76 2pyj s PHE 230 Cb -0.10 -4.29 0.05 0.00 -0.34 0.00 0.00 43.02 38.34 2pyj s PHE 230 CO 0.38 -1.47 -0.10 0.99 -1.46 0.00 0.00 175.22 173.55 2pyj s THR 231 N 4.46 2.29 -0.13 0.12 2.01 -1.26 0.01 115.64 123.14 2pyj s THR 231 Ca 0.37 -1.50 -0.07 0.00 0.31 0.00 0.00 61.69 60.80 2pyj s THR 231 Cb -0.10 -2.30 0.05 0.00 0.01 0.00 0.00 72.50 70.16 2pyj s THR 231 CO 0.22 0.04 0.30 0.86 -0.69 0.00 0.00 174.62 175.35 2pyj s TRP 232 N 1.15 -0.41 -0.21 4.92 -0.00 -0.40 -4.98 118.94 119.01 2pyj s TRP 232 Ca -0.07 0.94 -0.07 0.00 -0.00 0.00 0.00 56.10 56.91 2pyj s TRP 232 Cb -0.19 0.12 -0.03 0.00 -0.00 0.00 0.00 33.47 33.37 2pyj s TRP 232 CO -0.05 -0.26 0.04 -1.17 -0.00 0.00 0.00 176.95 175.51 2pyj s LEU 233 N 1.19 3.52 0.12 5.86 2.96 -1.26 -0.92 118.68 130.15 2pyj s LEU 233 Ca -0.08 -0.10 -0.31 0.00 -0.22 0.00 0.00 54.13 53.42 2pyj s LEU 233 Cb -0.09 -1.91 -0.10 0.00 0.50 0.00 0.00 46.19 44.59 2pyj s LEU 233 CO -0.09 0.08 1.84 0.21 -1.32 0.00 0.00 176.35 177.06 2pyj s ASN 234 N 0.94 6.43 0.34 3.68 3.84 0.76 -4.90 114.94 126.02 2pyj s ASN 234 Ca 0.03 2.75 0.03 0.00 0.21 0.00 0.00 52.86 55.89 2pyj s ASN 234 Cb -0.14 -2.56 0.65 0.00 -0.55 0.00 0.00 41.25 38.65 2pyj s ASN 234 CO 0.02 -1.01 1.96 0.44 -2.79 0.00 0.00 177.10 175.72 2pyj h ASP 235 N 8.72 0.76 0.34 -4.21 3.32 -1.96 -1.62 116.42 121.76 2pyj h ASP 235 Ca -0.46 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2pyj h ASP 235 Cb 1.22 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2pyj h ASP 235 CO 0.95 0.50 0.00 -2.11 -1.72 0.00 0.00 179.24 176.86 2pyj n ARG 236 N -4.47 0.01 0.00 3.56 1.85 -1.26 -1.75 116.66 114.60 2pyj n ARG 236 Ca 0.11 0.31 0.06 0.00 -1.00 0.00 0.00 57.85 57.33 2pyj n ARG 236 Cb 0.18 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.06 2pyj n ARG 236 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2pyj n PHE 237 N -1.48 0.00 -1.70 2.89 3.01 -0.62 -4.91 117.46 114.65 2pyj n PHE 237 Ca 0.03 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.07 2pyj n PHE 237 Cb 0.12 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.56 2pyj n PHE 237 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2pyj s LYS 238 N -1.74 4.13 0.00 -1.08 2.20 -0.72 -1.81 119.74 120.72 2pyj s LYS 238 Ca 0.08 2.62 0.00 0.00 -0.36 0.00 0.00 55.97 58.30 2pyj s LYS 238 Cb 0.09 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 2pyj s LYS 238 CO 0.36 -0.85 0.00 0.39 -0.36 0.00 0.00 175.35 174.89 2pyj n GLU 239 N 5.66 -1.22 -3.55 4.03 1.02 0.12 -4.98 120.64 121.73 2pyj n GLU 239 Ca 0.18 0.30 -0.38 0.00 -0.02 0.00 0.00 57.16 57.25 2pyj n GLU 239 Cb 0.38 -4.47 -0.06 0.00 -0.02 0.00 0.00 31.44 27.27 2pyj n GLU 239 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2pyj s LYS 240 N -1.40 3.89 0.03 3.49 1.02 -0.75 -4.93 119.74 121.08 2pyj s LYS 240 Ca 0.00 0.31 -0.30 0.00 0.02 0.00 0.00 55.97 55.99 2pyj s LYS 240 Cb 0.00 -3.24 -0.06 0.00 -0.52 0.00 0.00 37.83 34.01 2pyj s LYS 240 CO 0.00 0.65 1.39 -1.21 -0.92 0.00 0.00 175.35 175.26 2pyj s GLU 241 N -0.88 4.30 0.02 1.68 2.02 -1.26 -4.32 118.70 120.26 2pyj s GLU 241 Ca 0.22 1.98 0.02 0.00 0.02 0.00 0.00 54.97 57.21 2pyj s GLU 241 Cb -0.16 -3.50 -0.04 0.00 0.10 0.00 0.00 34.13 30.53 2pyj s GLU 241 CO 0.11 -0.53 0.02 0.42 0.02 0.00 0.00 175.26 175.30 2pyj s ILE 242 N 2.09 4.26 0.00 -1.63 1.01 0.27 -4.99 121.20 122.22 2pyj s ILE 242 Ca 0.64 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.63 2pyj s ILE 242 Cb -0.32 -2.95 0.00 0.00 0.01 0.00 0.00 42.46 39.20 2pyj s ILE 242 CO 0.27 0.30 0.00 0.61 0.00 0.00 0.00 174.94 176.13 2pyj n GLY 243 N 1.12 0.88 3.77 6.18 0.00 -1.26 -1.75 105.19 114.14 2pyj n GLY 243 Ca -0.13 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 2pyj n GLY 243 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pyj s GLU 244 N 0.94 3.97 0.29 1.61 2.02 -0.99 -3.46 118.70 123.08 2pyj s GLU 244 Ca 0.00 1.84 -0.18 0.00 0.02 0.00 0.00 54.97 56.65 2pyj s GLU 244 Cb 0.00 -2.61 0.07 0.00 0.10 0.00 0.00 34.13 31.69 2pyj s GLU 244 CO 0.00 -0.39 0.91 0.41 0.02 0.00 0.00 175.26 176.21 2pyj n GLY 245 N 0.58 0.79 3.26 -1.39 0.00 -0.49 -0.84 105.19 107.11 2pyj n GLY 245 Ca 0.05 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 2pyj n GLY 245 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2pyj s MET 246 N -2.07 0.92 -0.09 1.61 0.23 0.13 -0.42 119.30 119.62 2pyj s MET 246 Ca 0.19 -0.74 0.02 0.00 -1.03 0.00 0.00 55.69 54.13 2pyj s MET 246 Cb -0.04 0.40 0.01 0.00 -1.53 0.00 0.00 34.83 33.67 2pyj s MET 246 CO 0.09 -0.32 -0.13 0.08 -2.03 0.00 0.00 175.02 172.70 2pyj s VAL 247 N -3.50 1.28 -0.05 5.16 1.01 -0.35 -1.04 120.40 122.92 2pyj s VAL 247 Ca 0.02 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.49 2pyj s VAL 247 Cb 0.02 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 2pyj s VAL 247 CO -0.09 0.39 -0.11 -0.36 0.00 0.00 0.00 175.10 174.93 2pyj s PHE 248 N 0.89 2.80 -0.07 5.22 0.40 -0.54 -0.52 117.98 126.16 2pyj s PHE 248 Ca -0.10 -0.08 -0.03 0.00 -0.60 0.00 0.00 56.93 56.12 2pyj s PHE 248 Cb -0.15 -1.65 0.04 0.00 0.51 0.00 0.00 43.02 41.77 2pyj s PHE 248 CO 0.01 0.26 0.15 0.34 0.70 0.00 0.00 175.22 176.68 2pyj s ASP 249 N -0.83 0.21 0.27 1.36 -1.08 -0.24 -1.05 116.67 115.31 2pyj s ASP 249 Ca 0.12 0.31 -0.30 0.00 -0.52 0.00 0.00 52.55 52.16 2pyj s ASP 249 Cb -0.11 0.22 -0.11 0.00 -1.46 0.00 0.00 42.92 41.46 2pyj s ASP 249 CO 0.01 -0.18 1.55 -0.69 0.52 0.00 0.00 175.17 176.38 2pyj s VAL 250 N 1.60 2.25 -0.56 1.11 1.01 -0.34 -1.08 120.40 124.39 2pyj s VAL 250 Ca -0.05 0.21 -0.27 0.00 0.00 0.00 0.00 61.98 61.88 2pyj s VAL 250 Cb -0.12 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 2pyj s VAL 250 CO -0.06 0.03 1.85 0.20 0.00 0.00 0.00 175.10 177.12 2pyj s ASN 251 N 0.50 5.37 -0.76 3.32 0.01 -0.50 -4.12 114.94 118.75 2pyj s ASN 251 Ca 0.63 0.51 -0.01 0.00 -0.71 0.00 0.00 52.86 53.28 2pyj s ASN 251 Cb -0.46 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.67 2pyj s ASN 251 CO 0.46 -2.26 0.66 -1.20 -1.51 0.00 0.00 177.10 173.24 2pyj n SER 252 N 12.35 -6.71 0.27 -1.22 7.64 -1.26 -1.05 113.62 123.64 2pyj n SER 252 Ca 0.21 -0.38 -0.16 0.00 1.01 0.00 0.00 58.87 59.55 2pyj n SER 252 Cb 0.51 -3.95 -0.08 0.00 -1.01 0.00 0.00 64.21 59.68 2pyj n SER 252 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2pyj h LEU 253 N 0.25 -0.61 -0.28 -3.43 5.85 -1.97 0.45 115.31 115.56 2pyj h LEU 253 Ca -0.24 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 2pyj h LEU 253 Cb 1.15 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 2pyj h LEU 253 CO 0.32 -0.41 0.08 1.88 -0.34 0.00 0.00 178.44 179.96 2pyj h TYR 254 N -0.67 0.47 -0.74 1.25 0.99 -1.92 -2.22 116.97 114.14 2pyj h TYR 254 Ca -0.06 -0.05 0.05 0.00 2.00 0.00 0.00 58.73 60.67 2pyj h TYR 254 Cb 0.53 -0.13 -0.04 0.00 1.00 0.00 0.00 36.73 38.08 2pyj h TYR 254 CO -0.07 0.51 0.48 -1.35 -0.00 0.00 0.00 178.16 177.74 2pyj h PRO 255 N 0.29 0.82 -0.79 4.88 0.11 -1.85 -1.82 132.00 133.64 2pyj h PRO 255 Ca 0.09 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.17 2pyj h PRO 255 Cb 0.27 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.15 2pyj h PRO 255 CO -0.00 0.54 0.53 0.00 -0.21 0.00 0.00 178.00 178.86 2pyj h ALA 256 N 1.58 1.48 -0.47 -0.75 0.00 -0.47 0.05 119.26 120.67 2pyj h ALA 256 Ca 0.30 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 2pyj h ALA 256 Cb 0.14 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2pyj h ALA 256 CO -0.09 0.47 -0.05 1.96 0.00 0.00 0.00 179.25 181.53 2pyj h GLN 257 N 1.03 0.86 -0.26 0.00 1.08 -0.85 -2.41 115.11 114.55 2pyj h GLN 257 Ca 0.30 -0.30 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 2pyj h GLN 257 Cb -0.04 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 2pyj h GLN 257 CO -0.08 0.93 -0.01 0.52 -0.95 0.00 0.00 178.83 179.24 2pyj h MET 258 N 0.71 0.39 -0.25 1.46 2.86 -0.91 -1.08 114.93 118.12 2pyj h MET 258 Ca 0.13 -0.07 -0.14 0.00 -2.06 0.00 0.00 59.70 57.55 2pyj h MET 258 Cb 0.57 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 2pyj h MET 258 CO 0.03 0.43 -0.42 -0.92 1.06 0.00 0.00 176.91 177.10 2pyj h TYR 259 N 0.38 0.72 0.00 -0.22 5.03 -0.66 -3.41 116.97 118.82 2pyj h TYR 259 Ca 0.09 -0.22 0.00 0.00 2.58 0.00 0.00 58.73 61.18 2pyj h TYR 259 Cb 0.28 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.40 2pyj h TYR 259 CO 0.01 0.93 -0.83 0.43 -1.32 0.00 0.00 178.16 177.38 2pyj n SER 260 N -4.02 4.13 -4.93 -2.11 7.64 -0.94 -4.51 113.62 108.87 2pyj n SER 260 Ca -0.02 -0.04 -0.26 0.00 1.01 0.00 0.00 58.87 59.56 2pyj n SER 260 Cb 0.53 0.92 -0.03 0.00 -1.01 0.00 0.00 64.21 64.62 2pyj n SER 260 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2pyj s ARG 261 N -1.74 3.51 -0.13 1.43 1.81 -0.42 -4.96 118.95 118.44 2pyj s ARG 261 Ca 0.00 -0.38 -0.29 0.00 -1.72 0.00 0.00 55.73 53.34 2pyj s ARG 261 Cb 0.00 -2.79 -0.03 0.00 -0.45 0.00 0.00 34.95 31.67 2pyj s ARG 261 CO 0.00 0.34 1.49 -1.17 -0.68 0.00 0.00 175.30 175.27 2pyj s LEU 262 N -3.66 4.18 0.06 2.53 2.96 -1.26 -4.46 118.68 119.03 2pyj s LEU 262 Ca 0.38 1.88 0.05 0.00 -0.22 0.00 0.00 54.13 56.23 2pyj s LEU 262 Cb -0.10 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.02 2pyj s LEU 262 CO 0.31 -0.93 -0.13 -0.76 -1.32 0.00 0.00 176.35 173.51 2pyj s LEU 263 N 4.06 2.26 0.53 -0.68 1.43 -0.81 -4.94 118.68 120.52 2pyj s LEU 263 Ca 0.65 -0.59 -0.16 0.00 -1.03 0.00 0.00 54.13 53.01 2pyj s LEU 263 Cb -0.27 -0.48 -0.07 0.00 0.03 0.00 0.00 46.19 45.40 2pyj s LEU 263 CO 0.24 -0.08 0.98 -2.16 0.23 0.00 0.00 176.35 175.56 2pyj s PRO 264 N -1.66 3.89 0.25 1.29 0.04 -1.26 -1.48 135.00 136.08 2pyj s PRO 264 Ca -0.03 0.91 -0.16 0.00 0.04 0.00 0.00 61.00 61.77 2pyj s PRO 264 Cb -0.10 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2pyj s PRO 264 CO 0.02 -0.31 0.55 1.52 0.04 0.00 0.00 177.00 178.82 2pyj s TYR 265 N -2.70 0.17 0.00 0.56 -0.85 -0.59 -4.71 117.35 109.23 2pyj s TYR 265 Ca 0.58 -0.56 0.00 0.00 -0.52 0.00 0.00 57.07 56.57 2pyj s TYR 265 Cb -0.10 0.35 0.00 0.00 0.38 0.00 0.00 41.96 42.59 2pyj s TYR 265 CO 0.35 -1.06 0.00 0.41 -1.52 0.00 0.00 175.55 173.73 2pyj n GLY 266 N -0.40 -1.53 3.72 5.49 0.00 0.51 -3.74 105.19 109.24 2pyj n GLY 266 Ca -0.03 -1.26 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 2pyj n GLY 266 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pyj s GLU 267 N 0.00 4.42 0.66 1.61 2.56 -1.26 -4.72 118.70 121.97 2pyj s GLU 267 Ca 0.00 0.80 -0.12 0.00 0.00 0.00 0.00 54.97 55.65 2pyj s GLU 267 Cb 0.00 -3.44 -0.01 0.00 2.00 0.00 0.00 34.13 32.68 2pyj s GLU 267 CO 0.00 0.09 1.05 -1.25 -0.56 0.00 0.00 175.26 174.59 2pyj s PRO 268 N 0.73 3.13 -0.15 4.30 0.04 -1.26 -4.69 135.00 137.11 2pyj s PRO 268 Ca 0.35 0.96 -0.04 0.00 0.04 0.00 0.00 61.00 62.32 2pyj s PRO 268 Cb -0.17 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 2pyj s PRO 268 CO 0.17 -0.94 -0.03 0.42 0.04 0.00 0.00 177.00 176.66 2pyj s ILE 269 N -2.96 4.01 -0.00 0.56 1.01 0.04 -4.93 121.20 118.92 2pyj s ILE 269 Ca 0.58 -0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.61 2pyj s ILE 269 Cb -0.14 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 2pyj s ILE 269 CO 0.51 0.51 1.17 -0.69 0.00 0.00 0.00 174.94 176.44 2pyj s VAL 270 N 0.19 4.25 0.20 2.92 1.01 -1.26 -0.91 120.40 126.79 2pyj s VAL 270 Ca -0.01 1.59 0.10 0.00 0.00 0.00 0.00 61.98 63.66 2pyj s VAL 270 Cb -0.14 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2pyj s VAL 270 CO 0.03 0.07 -0.20 0.72 0.00 0.00 0.00 175.10 175.71 2pyj s PHE 271 N 1.59 2.05 0.08 5.22 -0.12 -0.60 -4.98 117.98 121.23 2pyj s PHE 271 Ca 0.56 -0.42 0.04 0.00 -0.05 0.00 0.00 56.93 57.07 2pyj s PHE 271 Cb -0.26 -0.99 -0.04 0.00 -0.63 0.00 0.00 43.02 41.10 2pyj s PHE 271 CO 0.26 0.46 0.03 -1.21 -0.05 0.00 0.00 175.22 174.71 2pyj s GLU 272 N -2.98 2.69 3.94 1.99 0.41 -1.26 -1.58 118.70 121.92 2pyj s GLU 272 Ca 0.21 -0.77 0.00 0.00 -0.41 0.00 0.00 54.97 54.00 2pyj s GLU 272 Cb -0.06 -2.62 0.00 0.00 -1.78 0.00 0.00 34.13 29.67 2pyj s GLU 272 CO 0.09 0.55 0.00 0.41 -0.49 0.00 0.00 175.26 175.83 2pyj n GLY 273 N 0.56 0.57 3.75 -1.39 0.00 0.21 -4.78 105.19 104.11 2pyj n GLY 273 Ca -0.10 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 2pyj n GLY 273 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pyj s LYS 274 N 0.00 4.51 0.18 1.61 2.20 -1.26 -3.54 119.74 123.44 2pyj s LYS 274 Ca 0.00 1.08 -0.33 0.00 -0.36 0.00 0.00 55.97 56.36 2pyj s LYS 274 Cb 0.00 -3.34 -0.15 0.00 -1.51 0.00 0.00 37.83 32.83 2pyj s LYS 274 CO 0.00 0.34 1.33 0.98 -0.36 0.00 0.00 175.35 177.65 2pyj n TYR 275 N 2.56 1.77 -4.01 4.03 9.36 -1.26 -5.00 117.16 124.61 2pyj n TYR 275 Ca -0.03 0.53 -0.35 0.00 3.32 0.00 0.00 57.90 61.37 2pyj n TYR 275 Cb 0.50 -2.39 -0.11 0.00 -0.63 0.00 0.00 39.34 36.71 2pyj n TYR 275 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2pyj s VAL 276 N 0.10 4.55 -0.18 2.97 1.01 -1.26 -5.05 120.40 122.54 2pyj s VAL 276 Ca 0.74 -0.11 -0.40 0.00 0.00 0.00 0.00 61.98 62.21 2pyj s VAL 276 Cb -0.77 -3.06 -0.16 0.00 0.00 0.00 0.00 36.38 32.38 2pyj s VAL 276 CO 0.49 0.44 1.60 1.87 0.00 0.00 0.00 175.10 179.49 2pyj n TRP 277 N 3.86 1.83 -3.67 5.22 -0.00 -1.26 -4.95 117.44 118.47 2pyj n TRP 277 Ca -0.17 0.63 -0.28 0.00 -0.00 0.00 0.00 57.50 57.68 2pyj n TRP 277 Cb 0.52 -2.39 -0.16 0.00 -0.00 0.00 0.00 31.31 29.28 2pyj n TRP 277 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 2pyj s ASP 278 N 2.54 3.33 0.58 5.87 -1.08 -1.26 -5.02 116.67 121.63 2pyj s ASP 278 Ca 0.95 -1.15 0.28 0.00 -0.52 0.00 0.00 52.55 52.10 2pyj s ASP 278 Cb -1.08 -0.56 1.65 0.00 -1.46 0.00 0.00 42.92 41.48 2pyj s ASP 278 CO 0.61 -0.38 2.13 1.05 0.52 0.00 0.00 175.17 179.10 2pyj h GLU 279 N 8.27 0.00 0.00 4.34 4.11 -1.96 0.56 114.58 129.90 2pyj h GLU 279 Ca -0.16 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.20 2pyj h GLU 279 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2pyj h GLU 279 CO 0.40 0.00 -0.46 -0.44 0.07 0.00 0.00 179.01 178.58 2pyj h ASP 280 N 0.00 0.00 -2.11 3.06 3.32 -1.95 -3.37 116.42 115.37 2pyj h ASP 280 Ca 0.07 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.55 2pyj h ASP 280 Cb 0.38 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.53 2pyj h ASP 280 CO -0.00 0.28 -0.86 -1.22 -1.72 0.00 0.00 179.24 175.73 2pyj n TYR 281 N -3.10 1.86 0.97 4.55 4.02 0.13 -4.22 117.16 121.38 2pyj n TYR 281 Ca 0.01 -3.88 0.14 0.00 -0.01 0.00 0.00 57.90 54.16 2pyj n TYR 281 Cb 0.66 -0.46 0.57 0.00 -0.02 0.00 0.00 39.34 40.08 2pyj n TYR 281 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2pyj n PRO 282 N 0.83 0.02 -4.11 -0.72 -0.04 -0.85 -4.32 135.00 125.81 2pyj n PRO 282 Ca 0.26 0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.44 2pyj n PRO 282 Cb 0.48 -1.52 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 2pyj n PRO 282 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2pyj s LEU 283 N -3.11 3.56 0.20 1.53 1.43 -1.16 -4.95 118.68 116.18 2pyj s LEU 283 Ca 0.13 -0.16 -0.18 0.00 -1.03 0.00 0.00 54.13 52.89 2pyj s LEU 283 Cb 0.18 -2.26 0.03 0.00 0.03 0.00 0.00 46.19 44.18 2pyj s LEU 283 CO 0.55 0.15 0.55 -1.38 0.23 0.00 0.00 176.35 176.45 2pyj s HIS 284 N -1.43 -0.16 -0.13 0.29 -3.43 -1.26 -0.73 115.29 108.45 2pyj s HIS 284 Ca 0.27 -0.18 0.02 0.00 -0.80 0.00 0.00 55.06 54.37 2pyj s HIS 284 Cb -0.11 0.43 -0.00 0.00 -1.43 0.00 0.00 32.58 31.46 2pyj s HIS 284 CO 0.20 -0.94 -0.18 0.42 -2.00 0.00 0.00 174.74 172.24 2pyj s ILE 285 N -3.87 2.49 -0.09 -5.38 1.01 0.39 -0.26 121.20 115.50 2pyj s ILE 285 Ca 0.09 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.92 2pyj s ILE 285 Cb -0.01 -2.01 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 2pyj s ILE 285 CO -0.03 0.54 -0.21 -1.58 0.00 0.00 0.00 174.94 173.66 2pyj s GLN 286 N 0.52 2.98 -0.30 2.79 2.00 0.98 -1.39 119.66 127.24 2pyj s GLN 286 Ca -0.12 -0.83 -0.21 0.00 -2.00 0.00 0.00 55.36 52.20 2pyj s GLN 286 Cb -0.16 -2.35 -0.01 0.00 0.80 0.00 0.00 33.01 31.29 2pyj s GLN 286 CO 0.05 0.26 0.64 -1.58 -0.50 0.00 0.00 175.29 174.16 2pyj s HIS 287 N 0.17 3.22 0.18 1.67 5.65 0.10 -0.99 115.29 125.29 2pyj s HIS 287 Ca -0.12 0.64 0.08 0.00 0.25 0.00 0.00 55.06 55.91 2pyj s HIS 287 Cb -0.16 -2.98 -0.04 0.00 -1.18 0.00 0.00 32.58 28.21 2pyj s HIS 287 CO 0.07 -0.46 -0.16 0.96 -0.65 0.00 0.00 174.74 174.50 2pyj s ILE 288 N 2.62 1.72 -0.05 0.89 -4.36 0.07 -0.70 121.20 121.39 2pyj s ILE 288 Ca 0.26 -2.05 0.06 0.00 -0.26 0.00 0.00 60.65 58.66 2pyj s ILE 288 Cb -0.15 -1.91 -0.01 0.00 1.25 0.00 0.00 42.46 41.63 2pyj s ILE 288 CO 0.11 -0.48 -0.25 -0.13 0.24 0.00 0.00 174.94 174.44 2pyj s ARG 289 N -3.23 2.43 0.29 0.37 0.52 -0.22 -0.67 118.95 118.44 2pyj s ARG 289 Ca 0.19 -0.89 -0.20 0.00 -0.52 0.00 0.00 55.73 54.30 2pyj s ARG 289 Cb -0.03 -2.10 0.04 0.00 0.52 0.00 0.00 34.95 33.38 2pyj s ARG 289 CO 0.06 0.41 0.80 0.00 0.02 0.00 0.00 175.30 176.59 2pyj s GLU 291 N -3.19 1.90 0.11 0.00 2.02 -0.44 -0.58 118.70 118.51 2pyj s GLU 291 Ca 0.13 -1.31 -0.08 0.00 0.02 0.00 0.00 54.97 53.73 2pyj s GLU 291 Cb -0.05 -2.08 -0.01 0.00 0.10 0.00 0.00 34.13 32.09 2pyj s GLU 291 CO 0.08 0.43 0.21 -0.59 0.02 0.00 0.00 175.26 175.41 2pyj s PHE 292 N -1.62 0.28 -0.12 1.61 -0.12 -1.26 -0.15 117.98 116.60 2pyj s PHE 292 Ca 0.23 -0.69 -0.06 0.00 -0.05 0.00 0.00 56.93 56.37 2pyj s PHE 292 Cb -0.09 -0.09 0.05 0.00 -0.63 0.00 0.00 43.02 42.27 2pyj s PHE 292 CO 0.13 -0.59 0.28 -2.00 -0.05 0.00 0.00 175.22 172.98 2pyj s GLU 293 N -3.91 0.21 0.23 1.99 2.56 0.23 -2.36 118.70 117.66 2pyj s GLU 293 Ca 0.10 0.64 -0.31 0.00 0.00 0.00 0.00 54.97 55.40 2pyj s GLU 293 Cb 0.05 -0.07 -0.11 0.00 2.00 0.00 0.00 34.13 35.99 2pyj s GLU 293 CO -0.07 -0.20 1.65 -1.17 -0.56 0.00 0.00 175.26 174.91 2pyj s LEU 294 N 1.68 4.36 0.52 2.70 2.96 0.12 -0.23 118.68 130.79 2pyj s LEU 294 Ca -0.06 2.85 -0.21 0.00 -0.22 0.00 0.00 54.13 56.49 2pyj s LEU 294 Cb -0.11 -3.61 -0.06 0.00 0.50 0.00 0.00 46.19 42.91 2pyj s LEU 294 CO -0.09 -0.92 1.17 -0.54 -1.32 0.00 0.00 176.35 174.64 2pyj s LYS 295 N 0.60 3.45 0.19 1.98 1.02 0.58 -4.80 119.74 122.76 2pyj s LYS 295 Ca 0.70 1.75 -0.30 0.00 0.02 0.00 0.00 55.97 58.13 2pyj s LYS 295 Cb -0.48 -2.17 -0.09 0.00 -0.52 0.00 0.00 37.83 34.57 2pyj s LYS 295 CO 0.37 -0.80 1.34 -2.00 -0.92 0.00 0.00 175.35 173.34 2pyj s GLU 296 N -3.03 4.36 0.00 1.68 2.12 -1.26 -2.68 118.70 119.89 2pyj s GLU 296 Ca 0.70 2.08 0.00 0.00 0.36 0.00 0.00 54.97 58.10 2pyj s GLU 296 Cb -0.28 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 30.91 2pyj s GLU 296 CO 0.32 -0.30 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 2pyj n GLY 297 N 2.58 0.60 3.37 -1.50 0.00 -1.26 -5.05 105.19 103.93 2pyj n GLY 297 Ca 0.07 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 2pyj n GLY 297 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pyj s TYR 298 N -2.00 2.39 0.18 1.61 1.51 -1.09 -5.02 117.35 114.92 2pyj s TYR 298 Ca 0.00 -0.37 -0.30 0.00 -1.01 0.00 0.00 57.07 55.39 2pyj s TYR 298 Cb 0.00 -1.43 -0.08 0.00 -0.11 0.00 0.00 41.96 40.35 2pyj s TYR 298 CO 0.00 0.14 1.12 0.42 -1.11 0.00 0.00 175.55 176.12 2pyj s ILE 299 N -0.81 3.79 0.39 2.71 1.01 -1.26 -4.83 121.20 122.20 2pyj s ILE 299 Ca 0.12 1.54 -0.26 0.00 0.00 0.00 0.00 60.65 62.05 2pyj s ILE 299 Cb -0.10 -3.98 -0.09 0.00 0.01 0.00 0.00 42.46 38.30 2pyj s ILE 299 CO 0.02 0.26 1.23 -2.16 0.00 0.00 0.00 174.94 174.29 2pyj s PRO 300 N -0.33 4.06 0.00 2.79 0.04 -1.26 -4.93 135.00 135.37 2pyj s PRO 300 Ca 0.50 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.53 2pyj s PRO 300 Cb -0.30 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.48 2pyj s PRO 300 CO 0.35 -0.36 0.00 0.25 0.04 0.00 0.00 177.00 177.29 2pyj n THR 301 N 0.20 0.00 -3.77 1.26 -2.24 -1.26 -4.90 114.28 103.56 2pyj n THR 301 Ca 0.03 -0.35 -0.36 0.00 -2.27 0.00 0.00 64.05 61.10 2pyj n THR 301 Cb 0.45 0.94 -0.11 0.00 -2.10 0.00 0.00 70.33 69.51 2pyj n THR 301 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2pyj s ILE 302 N -0.86 4.93 0.01 2.28 -1.09 -1.26 -4.99 121.20 120.22 2pyj s ILE 302 Ca 0.00 0.03 0.05 0.00 -2.23 0.00 0.00 60.65 58.50 2pyj s ILE 302 Cb 0.00 -3.29 -0.02 0.00 -1.58 0.00 0.00 42.46 37.58 2pyj s ILE 302 CO 0.00 0.36 -0.16 0.00 -1.23 0.00 0.00 174.94 173.91 2pyj s GLN 303 N 1.14 1.19 -0.19 2.79 -2.07 -1.26 -0.43 119.66 120.83 2pyj s GLN 303 Ca 0.06 -0.66 0.01 0.00 -1.82 0.00 0.00 55.36 52.95 2pyj s GLN 303 Cb -0.14 -1.18 0.03 0.00 -1.09 0.00 0.00 33.01 30.62 2pyj s GLN 303 CO 0.04 0.31 -0.17 0.42 -1.32 0.00 0.00 175.29 174.57 2pyj s ILE 304 N -0.55 1.97 0.40 3.63 1.01 -1.26 -5.07 121.20 121.33 2pyj s ILE 304 Ca 0.05 -0.98 0.05 0.00 0.00 0.00 0.00 60.65 59.77 2pyj s ILE 304 Cb -0.07 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.56 2pyj s ILE 304 CO 0.00 0.43 0.57 -0.54 0.00 0.00 0.00 174.94 175.40 2pyj s LYS 305 N 1.30 2.97 -1.60 2.79 1.02 -1.26 -4.02 119.74 120.94 2pyj s LYS 305 Ca 0.03 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.08 2pyj s LYS 305 Cb -0.14 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.45 2pyj s LYS 305 CO -0.11 -0.17 0.00 0.54 -0.92 0.00 0.00 175.35 174.69 2pyj n ARG 306 N -1.85 -1.82 -4.96 1.68 3.00 -1.26 -4.99 116.66 106.46 2pyj n ARG 306 Ca 0.03 0.91 -0.31 0.00 -0.01 0.00 0.00 57.85 58.47 2pyj n ARG 306 Cb 0.58 -5.56 -0.14 0.00 0.00 0.00 0.00 32.46 27.34 2pyj n ARG 306 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2pyj s SER 307 N -2.05 3.45 0.26 0.55 0.15 -1.26 -5.01 113.70 109.78 2pyj s SER 307 Ca 0.00 -0.44 0.23 0.00 0.70 0.00 0.00 55.95 56.44 2pyj s SER 307 Cb 0.00 -0.49 0.25 0.00 -1.71 0.00 0.00 66.02 64.08 2pyj s SER 307 CO 0.00 0.29 1.34 -0.09 1.20 0.00 0.00 173.24 175.98 2pyj h ARG 308 N 5.04 0.00 0.13 5.44 2.43 -1.96 -3.33 114.38 122.12 2pyj h ARG 308 Ca -0.46 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.43 2pyj h ARG 308 Cb 1.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2pyj h ARG 308 CO 0.47 0.00 -1.29 0.74 -1.51 0.00 0.00 179.97 178.38 2pyj h PHE 309 N 0.00 0.49 -4.29 2.20 0.05 -1.98 -3.47 116.94 109.94 2pyj h PHE 309 Ca 0.00 -0.36 -0.69 0.00 3.82 0.00 0.00 57.97 60.74 2pyj h PHE 309 Cb 0.92 -0.02 -0.26 0.00 2.00 0.00 0.00 35.95 38.59 2pyj h PHE 309 CO 0.00 1.30 -0.87 0.71 -0.18 0.00 0.00 178.31 179.27 2pyj s TYR 310 N -2.65 2.38 -0.11 -0.55 1.51 -1.25 -5.10 117.35 111.58 2pyj s TYR 310 Ca -0.05 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.34 2pyj s TYR 310 Cb 0.07 -1.43 -0.03 0.00 -0.11 0.00 0.00 41.96 40.46 2pyj s TYR 310 CO 0.88 0.12 1.31 0.15 -1.11 0.00 0.00 175.55 176.90 2pyj s LYS 311 N -1.14 4.26 0.58 -0.62 1.02 -1.26 -4.52 119.74 118.07 2pyj s LYS 311 Ca 0.12 1.76 0.35 0.00 0.02 0.00 0.00 55.97 58.22 2pyj s LYS 311 Cb -0.10 -3.71 1.79 0.00 -0.52 0.00 0.00 37.83 35.29 2pyj s LYS 311 CO 0.02 -0.64 2.17 0.78 -0.92 0.00 0.00 175.35 176.76 2pyj h GLY 312 N 9.24 0.00 -0.17 -3.33 0.00 -1.89 -1.71 103.07 105.22 2pyj h GLY 312 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2pyj h GLY 312 CO 0.94 0.00 -0.38 1.16 0.00 0.00 0.00 176.54 178.25 2pyj n ASN 313 N -3.36 1.35 -4.75 0.19 2.04 -1.26 -4.46 115.26 105.02 2pyj n ASN 313 Ca -0.02 -1.08 -0.39 0.00 -0.44 0.00 0.00 54.58 52.65 2pyj n ASN 313 Cb 0.18 0.30 -0.05 0.00 -2.53 0.00 0.00 39.78 37.68 2pyj n ASN 313 CO 0.00 0.00 0.00 -0.70 -0.44 0.00 0.00 177.26 176.12 2pyj s GLU 314 N -2.55 4.34 -0.10 -3.83 2.12 -0.64 -5.04 118.70 113.00 2pyj s GLU 314 Ca 0.21 0.70 -0.23 0.00 0.36 0.00 0.00 54.97 56.01 2pyj s GLU 314 Cb 0.19 -3.38 -0.03 0.00 0.26 0.00 0.00 34.13 31.16 2pyj s GLU 314 CO 0.57 0.26 0.68 0.71 -0.54 0.00 0.00 175.26 176.94 2pyj s TYR 315 N 0.18 3.53 -0.13 5.30 1.51 -1.26 -4.30 117.35 122.17 2pyj s TYR 315 Ca 0.31 1.17 -0.12 0.00 -1.01 0.00 0.00 57.07 57.42 2pyj s TYR 315 Cb -0.17 -2.79 -0.05 0.00 -0.11 0.00 0.00 41.96 38.84 2pyj s TYR 315 CO 0.16 0.04 0.25 -0.51 -1.11 0.00 0.00 175.55 174.38 2pyj s LEU 316 N 1.03 4.31 0.35 -1.29 1.43 0.43 -4.97 118.68 119.97 2pyj s LEU 316 Ca 0.35 0.54 0.21 0.00 -1.03 0.00 0.00 54.13 54.20 2pyj s LEU 316 Cb -0.17 -2.30 0.21 0.00 0.03 0.00 0.00 46.19 43.96 2pyj s LEU 316 CO 0.16 0.22 1.44 0.11 0.23 0.00 0.00 176.35 178.51 2pyj h LYS 317 N 5.94 0.00 -2.64 1.70 1.57 -1.96 -3.43 116.57 117.76 2pyj h LYS 317 Ca -0.46 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.27 2pyj h LYS 317 Cb 1.19 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.34 2pyj h LYS 317 CO 0.69 0.10 0.15 0.45 -0.57 0.00 0.00 179.45 180.27 2pyj s SER 318 N -6.07 -0.55 0.00 0.86 0.15 -1.26 0.16 113.70 106.98 2pyj s SER 318 Ca 0.05 0.26 0.25 0.00 0.70 0.00 0.00 55.95 57.21 2pyj s SER 318 Cb 0.06 0.55 1.08 0.00 -1.71 0.00 0.00 66.02 66.00 2pyj s SER 318 CO 0.71 -0.79 1.81 -1.54 1.20 0.00 0.00 173.24 174.64 2pyj n SER 319 N 0.24 0.01 -1.87 5.45 3.41 -0.99 -4.95 113.62 114.91 2pyj n SER 319 Ca -0.18 0.50 -0.13 0.00 -0.26 0.00 0.00 58.87 58.80 2pyj n SER 319 Cb 0.61 -0.50 0.02 0.00 -0.26 0.00 0.00 64.21 64.08 2pyj n SER 319 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pyj n GLY 320 N 1.12 0.02 2.23 5.00 0.00 -1.26 -2.70 105.19 109.60 2pyj n GLY 320 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2pyj n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pyj n GLY 321 N -1.21 2.18 3.92 -0.02 0.00 -1.26 -5.03 105.19 103.77 2pyj n GLY 321 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 2pyj n GLY 321 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pyj s GLU 322 N -0.26 3.26 -0.27 1.61 0.41 -1.10 -5.09 118.70 117.26 2pyj s GLU 322 Ca 0.00 -0.85 -0.20 0.00 -0.41 0.00 0.00 54.97 53.51 2pyj s GLU 322 Cb 0.00 -2.78 -0.02 0.00 -1.78 0.00 0.00 34.13 29.55 2pyj s GLU 322 CO 0.00 0.42 0.60 0.42 -0.49 0.00 0.00 175.26 176.22 2pyj s ILE 323 N -2.02 4.99 0.21 -1.63 1.09 -1.26 -4.77 121.20 117.81 2pyj s ILE 323 Ca 0.34 1.00 -0.30 0.00 -1.10 0.00 0.00 60.65 60.58 2pyj s ILE 323 Cb -0.09 -3.93 -0.08 0.00 -1.06 0.00 0.00 42.46 37.30 2pyj s ILE 323 CO 0.28 -0.00 0.94 0.00 -0.10 0.00 0.00 174.94 176.05 2pyj s ALA 324 N 2.49 3.32 -0.31 9.38 0.00 0.25 -4.89 121.76 132.00 2pyj s ALA 324 Ca 0.25 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2pyj s ALA 324 Cb -0.15 -3.22 0.07 0.00 0.00 0.00 0.00 23.12 19.81 2pyj s ALA 324 CO 0.09 0.16 0.01 0.34 0.00 0.00 0.00 175.76 176.36 2pyj s ASP 325 N -0.93 4.80 0.03 0.00 -1.08 -1.26 -1.47 116.67 116.76 2pyj s ASP 325 Ca 0.42 -1.55 0.08 0.00 -0.52 0.00 0.00 52.55 50.99 2pyj s ASP 325 Cb -0.25 -1.67 -0.02 0.00 -1.46 0.00 0.00 42.92 39.51 2pyj s ASP 325 CO 0.31 -0.30 -0.24 -0.76 0.52 0.00 0.00 175.17 174.70 2pyj s LEU 326 N 1.14 2.13 -0.27 -1.34 1.43 0.16 -5.00 118.68 116.94 2pyj s LEU 326 Ca -0.02 -0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 52.53 2pyj s LEU 326 Cb -0.20 -1.20 0.03 0.00 0.03 0.00 0.00 46.19 44.85 2pyj s LEU 326 CO -0.04 0.24 -0.02 0.26 0.23 0.00 0.00 176.35 177.03 2pyj s TRP 327 N -0.74 3.13 -0.02 0.29 0.52 -1.26 -0.75 118.94 120.12 2pyj s TRP 327 Ca 0.10 -1.56 0.03 0.00 0.02 0.00 0.00 56.10 54.70 2pyj s TRP 327 Cb -0.09 -2.10 -0.00 0.00 -1.15 0.00 0.00 33.47 30.12 2pyj s TRP 327 CO 0.01 -0.73 -0.11 -0.51 0.02 0.00 0.00 176.95 175.63 2pyj s LEU 328 N 1.33 1.93 0.85 2.99 1.43 -0.16 -4.24 118.68 122.80 2pyj s LEU 328 Ca -0.01 -0.22 -0.10 0.00 -1.03 0.00 0.00 54.13 52.77 2pyj s LEU 328 Cb -0.18 -0.62 0.11 0.00 0.03 0.00 0.00 46.19 45.53 2pyj s LEU 328 CO -0.02 0.12 1.12 -0.94 0.23 0.00 0.00 176.35 176.85 2pyj s SER 329 N -0.07 3.65 0.47 2.29 1.04 -1.26 -0.02 113.70 119.80 2pyj s SER 329 Ca 0.01 1.99 0.14 0.00 0.48 0.00 0.00 55.95 58.57 2pyj s SER 329 Cb -0.07 -2.53 1.09 0.00 0.10 0.00 0.00 66.02 64.61 2pyj s SER 329 CO 0.00 -2.61 2.07 -0.55 0.98 0.00 0.00 173.24 173.13 2pyj h ASN 330 N -1.52 0.07 -0.34 7.02 -1.07 -1.02 -1.29 115.58 117.42 2pyj h ASN 330 Ca -0.44 -0.01 -0.02 0.00 0.07 0.00 0.00 56.30 55.90 2pyj h ASN 330 Cb 1.25 -0.02 -0.01 0.00 -2.07 0.00 0.00 38.32 37.47 2pyj h ASN 330 CO 0.47 0.13 0.12 0.58 0.07 0.00 0.00 177.43 178.80 2pyj h VAL 331 N 0.08 1.20 -0.44 6.14 2.07 -1.92 -1.93 116.25 121.44 2pyj h VAL 331 Ca 0.02 -0.62 -0.08 0.00 0.82 0.00 0.00 66.70 66.84 2pyj h VAL 331 Cb 0.14 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2pyj h VAL 331 CO 0.01 0.22 -0.03 0.44 0.02 0.00 0.00 177.57 178.22 2pyj h ASP 332 N 0.40 0.79 -0.80 0.57 3.32 -1.77 -2.38 116.42 116.55 2pyj h ASP 332 Ca 0.11 -0.32 0.01 0.00 0.02 0.00 0.00 57.03 56.85 2pyj h ASP 332 Cb 0.22 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 2pyj h ASP 332 CO -0.01 0.92 0.53 0.25 -1.72 0.00 0.00 179.24 179.22 2pyj h LEU 333 N 0.64 0.91 -0.73 1.55 5.85 -1.19 -0.51 115.31 121.83 2pyj h LEU 333 Ca 0.12 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 2pyj h LEU 333 Cb 0.54 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2pyj h LEU 333 CO 0.03 0.65 -0.28 -0.08 -0.34 0.00 0.00 178.44 178.42 2pyj h GLU 334 N 1.08 0.66 -0.33 1.25 4.57 -1.29 -1.84 114.58 118.67 2pyj h GLU 334 Ca 0.30 -0.28 -0.07 0.00 -1.18 0.00 0.00 59.36 58.12 2pyj h GLU 334 Cb -0.10 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 2pyj h GLU 334 CO -0.07 0.87 -0.08 1.25 -1.18 0.00 0.00 179.01 179.80 2pyj h LEU 335 N 0.57 0.64 -0.82 1.64 5.85 -1.18 -2.23 115.31 119.79 2pyj h LEU 335 Ca 0.07 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.46 2pyj h LEU 335 Cb 0.77 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 2pyj h LEU 335 CO 0.06 0.86 0.53 -0.03 -0.34 0.00 0.00 178.44 179.52 2pyj h MET 336 N 0.42 1.01 -0.44 1.25 4.05 -0.96 -1.61 114.93 118.66 2pyj h MET 336 Ca 0.09 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.38 2pyj h MET 336 Cb 0.57 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 2pyj h MET 336 CO 0.03 0.67 0.00 0.87 0.23 0.00 0.00 176.91 178.72 2pyj h LYS 337 N 1.04 0.70 -0.61 0.39 1.57 -1.26 0.20 116.57 118.60 2pyj h LYS 337 Ca 0.32 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 2pyj h LYS 337 Cb -0.02 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2pyj h LYS 337 CO -0.10 0.72 0.27 0.93 -0.57 0.00 0.00 179.45 180.69 2pyj h GLU 338 N 0.66 0.89 0.00 3.15 5.08 -0.80 -3.33 114.58 120.24 2pyj h GLU 338 Ca 0.13 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2pyj h GLU 338 Cb 0.41 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2pyj h GLU 338 CO 0.02 0.74 -1.60 0.72 -1.00 0.00 0.00 179.01 177.89 2pyj n HIS 339 N -4.48 0.49 -4.34 4.33 8.25 -0.66 -4.95 115.22 113.85 2pyj n HIS 339 Ca 0.04 0.15 -0.24 0.00 -0.26 0.00 0.00 57.72 57.40 2pyj n HIS 339 Cb 0.15 -0.79 -0.13 0.00 1.12 0.00 0.00 29.99 30.33 2pyj n HIS 339 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2pyj s TYR 340 N -3.29 1.81 -0.11 4.41 1.51 0.66 -0.31 117.35 122.03 2pyj s TYR 340 Ca -0.05 -0.41 -0.27 0.00 -1.01 0.00 0.00 57.07 55.33 2pyj s TYR 340 Cb 0.11 -1.00 -0.02 0.00 -0.11 0.00 0.00 41.96 40.94 2pyj s TYR 340 CO 0.85 0.19 0.91 -0.51 -1.11 0.00 0.00 175.55 175.88 2pyj s ASP 341 N -1.80 7.13 -0.12 2.29 1.01 0.68 -4.53 116.67 121.33 2pyj s ASP 341 Ca 0.07 1.38 -0.04 0.00 0.71 0.00 0.00 52.55 54.67 2pyj s ASP 341 Cb -0.10 -2.51 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 2pyj s ASP 341 CO 0.04 -0.37 0.02 -0.76 0.21 0.00 0.00 175.17 174.30 2pyj s LEU 342 N 1.82 3.62 0.03 1.23 1.43 -1.26 -0.60 118.68 124.94 2pyj s LEU 342 Ca 0.44 0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.70 2pyj s LEU 342 Cb -0.18 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 2pyj s LEU 342 CO 0.17 0.30 -0.18 -0.31 0.23 0.00 0.00 176.35 176.56 2pyj s TYR 343 N -0.41 1.59 -1.40 0.29 1.51 0.79 -4.84 117.35 114.88 2pyj s TYR 343 Ca 0.08 -0.35 -0.05 0.00 -1.01 0.00 0.00 57.07 55.75 2pyj s TYR 343 Cb -0.12 -0.97 0.03 0.00 -0.11 0.00 0.00 41.96 40.79 2pyj s TYR 343 CO 0.02 0.05 0.76 0.09 -1.11 0.00 0.00 175.55 175.36 2pyj n ASN 344 N 2.08 -2.27 -4.64 2.29 3.02 -1.26 -1.33 115.26 113.14 2pyj n ASN 344 Ca -0.17 -0.83 -0.43 0.00 -0.03 0.00 0.00 54.58 53.12 2pyj n ASN 344 Cb 0.54 -3.86 -0.02 0.00 -0.61 0.00 0.00 39.78 35.82 2pyj n ASN 344 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2pyj s VAL 345 N -3.58 3.87 -0.32 2.41 1.01 -1.26 -4.45 120.40 118.07 2pyj s VAL 345 Ca 0.23 1.02 -0.10 0.00 0.00 0.00 0.00 61.98 63.13 2pyj s VAL 345 Cb -0.12 -3.78 -0.00 0.00 0.00 0.00 0.00 36.38 32.49 2pyj s VAL 345 CO 0.83 -0.22 0.17 -0.70 0.00 0.00 0.00 175.10 175.17 2pyj s GLU 346 N 4.17 3.26 -0.40 2.72 2.12 0.12 -4.98 118.70 125.70 2pyj s GLU 346 Ca 0.66 -0.78 -0.23 0.00 0.36 0.00 0.00 54.97 54.98 2pyj s GLU 346 Cb -0.25 -3.61 0.02 0.00 0.26 0.00 0.00 34.13 30.55 2pyj s GLU 346 CO 0.25 -0.47 0.79 0.71 -0.54 0.00 0.00 175.26 176.00 2pyj s TYR 347 N 1.61 3.06 -0.13 5.30 1.51 -1.26 -1.06 117.35 126.38 2pyj s TYR 347 Ca 0.04 0.41 -0.08 0.00 -1.01 0.00 0.00 57.07 56.43 2pyj s TYR 347 Cb -0.17 -3.52 -0.03 0.00 -0.11 0.00 0.00 41.96 38.13 2pyj s TYR 347 CO 0.07 -0.84 -0.16 -0.89 -1.11 0.00 0.00 175.55 172.62 2pyj n ILE 348 N 5.94 1.30 -3.86 2.71 5.41 0.12 -4.18 119.36 126.80 2pyj n ILE 348 Ca 0.03 0.24 -0.01 0.00 1.00 0.00 0.00 62.75 64.01 2pyj n ILE 348 Cb 0.48 -2.32 0.01 0.00 -0.71 0.00 0.00 39.64 37.10 2pyj n ILE 348 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2pyj s SER 349 N -5.55 -0.03 0.00 4.38 1.04 -1.21 -0.62 113.70 111.71 2pyj s SER 349 Ca -0.13 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 55.85 2pyj s SER 349 Cb 0.02 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2pyj s SER 349 CO 0.20 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.33 2pyj n GLY 350 N -0.69 1.04 3.06 7.32 0.00 -0.61 0.01 105.19 115.31 2pyj n GLY 350 Ca -0.02 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 2pyj n GLY 350 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pyj s LEU 351 N 0.00 1.75 0.09 0.99 1.43 -0.49 -1.55 118.68 120.91 2pyj s LEU 351 Ca 0.00 -0.30 0.07 0.00 -1.03 0.00 0.00 54.13 52.86 2pyj s LEU 351 Cb 0.00 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 2pyj s LEU 351 CO 0.00 0.08 -0.10 -1.59 0.23 0.00 0.00 176.35 174.96 2pyj s LYS 352 N 0.41 2.15 -0.00 1.70 -2.85 -0.09 -0.46 119.74 120.59 2pyj s LYS 352 Ca -0.10 -1.01 0.03 0.00 -1.00 0.00 0.00 55.97 53.89 2pyj s LYS 352 Cb -0.14 -2.31 -0.01 0.00 -2.06 0.00 0.00 37.83 33.32 2pyj s LYS 352 CO 0.03 0.51 -0.09 -0.06 0.10 0.00 0.00 175.35 175.84 2pyj s PHE 353 N -1.19 0.81 0.83 1.78 0.40 0.09 -0.78 117.98 119.92 2pyj s PHE 353 Ca 0.21 -0.17 -0.12 0.00 -0.60 0.00 0.00 56.93 56.25 2pyj s PHE 353 Cb -0.11 -0.52 0.09 0.00 0.51 0.00 0.00 43.02 43.00 2pyj s PHE 353 CO 0.13 -0.01 1.16 0.15 0.70 0.00 0.00 175.22 177.34 2pyj s LYS 354 N -0.30 1.62 -0.07 0.44 1.02 -1.25 -2.64 119.74 118.56 2pyj s LYS 354 Ca 0.03 1.56 -0.27 0.00 0.02 0.00 0.00 55.97 57.31 2pyj s LYS 354 Cb -0.04 -1.79 0.06 0.00 -0.52 0.00 0.00 37.83 35.54 2pyj s LYS 354 CO -0.00 -2.19 0.60 0.00 -0.92 0.00 0.00 175.35 172.84 2pyj s ALA 355 N -2.46 -1.55 0.27 5.17 0.00 -1.26 -1.54 121.76 120.38 2pyj s ALA 355 Ca 0.68 1.18 -0.11 0.00 0.00 0.00 0.00 51.96 53.71 2pyj s ALA 355 Cb -0.24 -0.11 -0.00 0.00 0.00 0.00 0.00 23.12 22.77 2pyj s ALA 355 CO 0.53 -0.34 0.48 0.95 0.00 0.00 0.00 175.76 177.38 2pyj s THR 356 N -1.03 0.00 0.08 0.00 -4.23 -0.55 -4.91 115.64 104.99 2pyj s THR 356 Ca -0.10 -1.44 0.09 0.00 -1.18 0.00 0.00 61.69 59.06 2pyj s THR 356 Cb -0.02 -2.31 -0.03 0.00 1.34 0.00 0.00 72.50 71.48 2pyj s THR 356 CO 0.08 0.00 -0.24 -0.89 -0.54 0.00 0.00 174.62 173.02 2pyj s THR 357 N -3.80 2.36 0.00 3.99 2.01 -1.26 -1.93 115.64 117.00 2pyj s THR 357 Ca 0.24 -1.49 0.00 0.00 0.31 0.00 0.00 61.69 60.75 2pyj s THR 357 Cb -0.01 -1.99 0.00 0.00 0.01 0.00 0.00 72.50 70.51 2pyj s THR 357 CO 0.11 0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.89 2pyj n GLY 358 N 1.35 0.66 0.23 4.40 0.00 -1.26 -5.00 105.19 105.57 2pyj n GLY 358 Ca -0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.92 2pyj n GLY 358 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2pyj h LEU 359 N 0.00 0.00 -2.30 0.99 5.85 -1.88 -2.78 115.31 115.19 2pyj h LEU 359 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2pyj h LEU 359 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2pyj h LEU 359 CO 0.00 0.20 0.00 0.49 -0.34 0.00 0.00 178.44 178.79 2pyj n PHE 360 N -4.12 0.58 0.02 1.25 3.01 -1.26 -4.77 117.46 112.18 2pyj n PHE 360 Ca -0.02 -0.29 -0.14 0.00 1.01 0.00 0.00 57.45 58.00 2pyj n PHE 360 Cb 0.27 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.66 2pyj n PHE 360 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 2pyj h LYS 361 N 4.25 -0.56 -0.52 -1.08 3.64 -1.82 -1.31 116.57 119.16 2pyj h LYS 361 Ca 0.00 0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.31 2pyj h LYS 361 Cb 0.94 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 2pyj h LYS 361 CO 0.00 -0.37 -0.10 -0.44 -2.27 0.00 0.00 179.45 176.27 2pyj h ASP 362 N -0.58 0.97 -0.31 4.20 5.19 -1.86 -0.34 116.42 123.69 2pyj h ASP 362 Ca 0.04 -0.31 -0.01 0.00 -0.62 0.00 0.00 57.03 56.13 2pyj h ASP 362 Cb 0.68 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 2pyj h ASP 362 CO -0.39 1.08 0.15 0.15 -3.12 0.00 0.00 179.24 177.10 2pyj h PHE 363 N 0.87 0.45 -0.40 4.55 3.57 -1.85 -0.83 116.94 123.29 2pyj h PHE 363 Ca 0.14 -0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.47 2pyj h PHE 363 Cb 0.65 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 2pyj h PHE 363 CO 0.04 0.40 -0.34 0.82 -2.23 0.00 0.00 178.31 177.00 2pyj h ILE 364 N 0.36 1.27 -0.66 1.41 2.04 -1.08 -2.74 117.51 118.12 2pyj h ILE 364 Ca 0.11 -1.51 0.05 0.00 1.00 0.00 0.00 64.86 64.51 2pyj h ILE 364 Cb 0.12 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 2pyj h ILE 364 CO -0.01 0.51 0.38 0.44 0.00 0.00 0.00 178.15 179.46 2pyj h ASP 365 N 0.76 0.58 0.40 1.72 3.32 -0.96 -0.10 116.42 122.15 2pyj h ASP 365 Ca 0.07 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2pyj h ASP 365 Cb 0.92 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 2pyj h ASP 365 CO 0.09 0.38 -0.39 0.50 -1.72 0.00 0.00 179.24 178.10 2pyj h LYS 366 N 0.71 -0.78 0.00 3.56 3.64 -0.94 -2.09 116.57 120.67 2pyj h LYS 366 Ca 0.29 0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.55 2pyj h LYS 366 Cb 0.14 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 2pyj h LYS 366 CO -0.16 -0.52 -0.80 -1.49 -2.27 0.00 0.00 179.45 174.21 2pyj h TRP 367 N -0.81 0.00 -0.66 1.91 4.06 -1.40 -2.86 115.95 116.18 2pyj h TRP 367 Ca -0.03 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.88 2pyj h TRP 367 Cb 0.72 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.85 2pyj h TRP 367 CO -0.21 0.80 0.26 1.15 -3.56 0.00 0.00 178.44 176.88 2pyj h THR 368 N 0.00 1.24 -0.34 1.49 2.02 -1.05 0.11 112.91 116.38 2pyj h THR 368 Ca -0.01 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 2pyj h THR 368 Cb 1.59 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 2pyj h THR 368 CO 0.10 0.30 0.15 0.22 0.37 0.00 0.00 175.52 176.66 2pyj h TYR 369 N 0.94 0.51 -0.19 3.16 3.20 -1.24 0.86 116.97 124.20 2pyj h TYR 369 Ca 0.22 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 2pyj h TYR 369 Cb 0.21 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 2pyj h TYR 369 CO 0.01 0.46 0.09 0.82 -1.64 0.00 0.00 178.16 177.90 2pyj h ILE 370 N 0.41 1.15 -0.97 1.81 2.04 -1.42 -1.56 117.51 118.97 2pyj h ILE 370 Ca 0.12 -0.43 0.08 0.00 1.00 0.00 0.00 64.86 65.63 2pyj h ILE 370 Cb 0.15 1.07 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 2pyj h ILE 370 CO -0.01 0.14 0.62 0.50 0.00 0.00 0.00 178.15 179.40 2pyj h LYS 371 N 0.17 1.04 0.00 2.37 3.64 -0.63 -1.26 116.57 121.92 2pyj h LYS 371 Ca 0.07 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 2pyj h LYS 371 Cb 0.14 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 2pyj h LYS 371 CO -0.01 0.69 -0.61 1.15 -2.27 0.00 0.00 179.45 178.40 2pyj h THR 372 N 1.08 1.34 -0.07 1.00 2.02 -0.56 -3.32 112.91 114.39 2pyj h THR 372 Ca 0.44 -2.18 0.00 0.00 0.77 0.00 0.00 66.41 65.44 2pyj h THR 372 Cb 0.27 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 2pyj h THR 372 CO -0.20 0.60 0.00 0.35 0.37 0.00 0.00 175.52 176.64 2pyj n THR 373 N -3.65 1.81 -4.46 3.16 -2.24 -0.61 -5.01 114.28 103.28 2pyj n THR 373 Ca -0.01 -1.95 -0.22 0.00 -2.27 0.00 0.00 64.05 59.60 2pyj n THR 373 Cb 0.64 -0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.66 2pyj n THR 373 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2pyj s SER 374 N -2.33 2.41 0.26 3.42 0.01 -0.51 -5.01 113.70 111.95 2pyj s SER 374 Ca 0.29 -1.42 0.01 0.00 1.31 0.00 0.00 55.95 56.15 2pyj s SER 374 Cb 0.25 -0.00 -0.05 0.00 0.21 0.00 0.00 66.02 66.43 2pyj s SER 374 CO 0.04 -0.65 0.09 -1.83 0.41 0.00 0.00 173.24 171.31 2pyj s GLU 375 N -3.88 1.41 5.22 12.44 -1.05 -1.26 -4.63 118.70 126.94 2pyj s GLU 375 Ca 0.35 -1.76 0.00 0.00 -0.15 0.00 0.00 54.97 53.41 2pyj s GLU 375 Cb 0.08 -0.26 0.00 0.00 -0.44 0.00 0.00 34.13 33.51 2pyj s GLU 375 CO 0.15 -0.29 0.00 0.41 0.95 0.00 0.00 175.26 176.48 2pyj n GLY 376 N -0.46 3.02 0.33 -3.83 0.00 -1.26 -2.59 105.19 100.40 2pyj n GLY 376 Ca -0.00 -0.17 0.04 0.00 0.00 0.00 0.00 46.02 45.90 2pyj n GLY 376 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pyj h ALA 377 N -0.72 1.68 -0.26 4.61 0.00 -1.92 -0.86 119.26 121.79 2pyj h ALA 377 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2pyj h ALA 377 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2pyj h ALA 377 CO 0.00 0.26 -0.01 0.82 0.00 0.00 0.00 179.25 180.33 2pyj h ILE 378 N 0.70 1.26 -0.47 0.00 1.08 -1.82 0.23 117.51 118.48 2pyj h ILE 378 Ca 0.23 -0.93 -0.03 0.00 -0.39 0.00 0.00 64.86 63.74 2pyj h ILE 378 Cb 0.05 1.35 -0.02 0.00 -3.07 0.00 0.00 36.82 35.14 2pyj h ILE 378 CO -0.06 0.29 0.16 0.50 -0.69 0.00 0.00 178.15 178.35 2pyj h LYS 379 N 0.24 0.73 -0.64 2.37 3.64 -1.34 -2.26 116.57 119.30 2pyj h LYS 379 Ca 0.07 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 2pyj h LYS 379 Cb 0.43 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 2pyj h LYS 379 CO 0.01 0.68 0.17 1.96 -2.27 0.00 0.00 179.45 180.01 2pyj h GLN 380 N 0.63 1.00 -0.65 1.90 4.20 -0.96 -0.78 115.11 120.44 2pyj h GLN 380 Ca 0.15 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 2pyj h GLN 380 Cb 0.25 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 2pyj h GLN 380 CO -0.01 0.87 0.28 -0.07 -0.67 0.00 0.00 178.83 179.23 2pyj h LEU 381 N 0.96 0.88 -0.54 1.46 3.38 -0.42 -0.98 115.31 120.04 2pyj h LEU 381 Ca 0.21 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 2pyj h LEU 381 Cb 0.31 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2pyj h LEU 381 CO -0.00 0.80 0.06 0.00 0.09 0.00 0.00 178.44 179.38 2pyj h ALA 382 N 1.12 0.72 -0.54 1.53 0.00 -1.04 -0.51 119.26 120.54 2pyj h ALA 382 Ca 0.22 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2pyj h ALA 382 Cb 0.18 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 2pyj h ALA 382 CO -0.02 0.49 0.24 -0.22 0.00 0.00 0.00 179.25 179.74 2pyj h LYS 383 N 0.80 0.44 -0.33 0.00 3.64 -0.94 -2.44 116.57 117.75 2pyj h LYS 383 Ca 0.16 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 2pyj h LYS 383 Cb 0.45 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2pyj h LYS 383 CO 0.02 0.29 -0.23 1.25 -2.27 0.00 0.00 179.45 178.51 2pyj h LEU 384 N 0.46 0.64 0.03 5.20 5.85 -0.80 -1.65 115.31 125.05 2pyj h LEU 384 Ca 0.26 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.77 2pyj h LEU 384 Cb 0.23 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2pyj h LEU 384 CO -0.22 0.86 -0.12 0.24 -0.34 0.00 0.00 178.44 178.87 2pyj h MET 385 N 0.56 -0.21 -0.05 1.25 2.86 -0.91 0.15 114.93 118.58 2pyj h MET 385 Ca 0.08 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.75 2pyj h MET 385 Cb 0.69 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 2pyj h MET 385 CO 0.05 -0.14 -0.06 -0.07 1.06 0.00 0.00 176.91 177.76 2pyj h LEU 386 N -0.21 -0.18 -0.20 1.22 3.38 -1.28 -2.78 115.31 115.25 2pyj h LEU 386 Ca 0.03 0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.82 2pyj h LEU 386 Cb 0.25 0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.10 2pyj h LEU 386 CO -0.09 -0.08 -0.77 0.78 0.09 0.00 0.00 178.44 178.36 2pyj h ASN 387 N -0.08 0.87 0.97 -0.43 2.35 -1.26 -3.18 115.58 114.81 2pyj h ASN 387 Ca 0.04 -0.57 0.00 0.00 -0.55 0.00 0.00 56.30 55.22 2pyj h ASN 387 Cb 0.14 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.25 2pyj h ASN 387 CO -0.10 1.36 0.00 0.77 -1.65 0.00 0.00 177.43 177.81 2pyj h SER 388 N 0.50 0.00 -0.24 5.81 4.64 -0.73 -2.63 113.55 120.89 2pyj h SER 388 Ca -0.05 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 2pyj h SER 388 Cb 1.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 2pyj h SER 388 CO 0.16 0.00 -0.02 0.25 -0.87 0.00 0.00 176.83 176.35 2pyj h LEU 389 N 0.00 0.44 -0.14 5.97 5.85 -1.47 -1.08 115.31 124.88 2pyj h LEU 389 Ca 0.00 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.44 2pyj h LEU 389 Cb 0.48 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 2pyj h LEU 389 CO 0.00 0.66 -0.24 0.22 -0.34 0.00 0.00 178.44 178.74 2pyj h TYR 390 N 0.21 -0.65 -0.94 1.25 3.20 -1.57 -2.90 116.97 115.56 2pyj h TYR 390 Ca 0.07 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.05 2pyj h TYR 390 Cb 0.44 0.31 -0.07 0.00 1.54 0.00 0.00 36.73 38.95 2pyj h TYR 390 CO 0.04 -0.32 0.59 0.78 -1.64 0.00 0.00 178.16 177.61 2pyj h GLY 391 N -0.30 1.45 0.94 1.82 0.00 -1.41 -2.16 103.07 103.40 2pyj h GLY 391 Ca 0.10 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 47.04 2pyj h GLY 391 CO -0.31 0.26 0.66 0.50 0.00 0.00 0.00 176.54 177.65 2pyj h LYS 392 N 1.04 1.28 -0.94 4.80 1.79 -1.06 -1.85 116.57 121.63 2pyj h LYS 392 Ca 0.42 -0.08 0.08 0.00 -2.18 0.00 0.00 60.65 58.90 2pyj h LYS 392 Cb 0.25 -0.29 -0.07 0.00 -1.58 0.00 0.00 32.23 30.54 2pyj h LYS 392 CO -0.20 0.85 0.61 0.74 -1.08 0.00 0.00 179.45 180.37 2pyj h PHE 393 N 1.32 1.08 -0.49 -1.35 -1.00 -1.19 -2.25 116.94 113.05 2pyj h PHE 393 Ca 0.39 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.20 2pyj h PHE 393 Cb -0.07 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 39.14 2pyj h PHE 393 CO -0.00 0.52 0.00 0.00 -1.61 0.00 0.00 178.31 177.22 2pyj n ALA 394 N -2.38 3.62 -1.64 2.45 0.00 -0.75 -1.33 120.51 120.47 2pyj n ALA 394 Ca 0.15 -1.58 -0.56 0.00 0.00 0.00 0.00 53.44 51.45 2pyj n ALA 394 Cb 0.25 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.53 2pyj n ALA 394 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2pyj n SER 395 N 0.56 1.81 -4.69 0.00 7.64 -0.85 -4.85 113.62 113.24 2pyj n SER 395 Ca 0.23 1.11 -0.42 0.00 1.01 0.00 0.00 58.87 60.80 2pyj n SER 395 Cb 1.03 -1.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 2pyj n SER 395 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2pyj s ASN 396 N 1.84 6.43 0.49 6.43 3.84 -1.26 -4.55 114.94 128.16 2pyj s ASN 396 Ca 0.92 2.74 0.24 0.00 0.21 0.00 0.00 52.86 56.96 2pyj s ASN 396 Cb -1.05 -2.56 1.26 0.00 -0.55 0.00 0.00 41.25 38.34 2pyj s ASN 396 CO 0.57 -1.00 2.01 1.55 -2.79 0.00 0.00 177.10 177.44 2pyj h PRO 397 N 8.67 0.00 -6.46 0.43 0.13 -1.86 -3.40 132.00 129.50 2pyj h PRO 397 Ca -0.46 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.12 2pyj h PRO 397 Cb 1.22 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 2pyj h PRO 397 CO 0.95 0.17 1.07 0.34 -0.23 0.00 0.00 178.00 180.29 2pyj s ASP 398 N -6.36 6.23 -0.28 1.44 2.15 -1.26 0.46 116.67 119.04 2pyj s ASP 398 Ca -0.03 0.31 0.09 0.00 0.43 0.00 0.00 52.55 53.35 2pyj s ASP 398 Cb 0.13 -2.55 0.50 0.00 -0.30 0.00 0.00 42.92 40.71 2pyj s ASP 398 CO 0.62 -1.63 1.45 1.33 -0.17 0.00 0.00 175.17 176.77 2pyj n VAL 399 N 6.84 2.52 -1.74 1.11 0.24 0.49 -4.98 118.33 122.81 2pyj n VAL 399 Ca 0.12 -2.75 -0.42 0.00 -2.04 0.00 0.00 64.34 59.25 2pyj n VAL 399 Cb 0.49 -0.31 -0.01 0.00 -1.47 0.00 0.00 33.84 32.54 2pyj n VAL 399 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2pyj n THR 400 N -1.11 1.49 -4.24 3.34 -1.04 -0.84 -4.73 114.28 107.15 2pyj n THR 400 Ca 0.32 -0.37 -0.12 0.00 -2.04 0.00 0.00 64.05 61.84 2pyj n THR 400 Cb 1.01 -1.88 -0.03 0.00 -1.82 0.00 0.00 70.33 67.61 2pyj n THR 400 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2pyj n GLY 401 N 1.37 3.76 3.75 3.41 0.00 -1.26 -3.96 105.19 112.27 2pyj n GLY 401 Ca 0.06 -2.06 -0.37 0.00 0.00 0.00 0.00 46.02 43.64 2pyj n GLY 401 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pyj s LYS 402 N -2.71 4.20 -0.20 1.61 1.02 -0.31 -0.24 119.74 123.11 2pyj s LYS 402 Ca 0.07 0.30 -0.06 0.00 0.02 0.00 0.00 55.97 56.30 2pyj s LYS 402 Cb 0.00 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 2pyj s LYS 402 CO 0.05 0.31 0.02 0.54 -0.92 0.00 0.00 175.35 175.36 2pyj s VAL 403 N 0.18 4.23 0.40 3.17 0.11 0.68 -4.49 120.40 124.68 2pyj s VAL 403 Ca 0.22 -0.22 -0.23 0.00 -2.93 0.00 0.00 61.98 58.82 2pyj s VAL 403 Cb -0.15 -2.91 -0.10 0.00 -1.53 0.00 0.00 36.38 31.69 2pyj s VAL 403 CO 0.08 0.43 0.97 -2.16 -3.33 0.00 0.00 175.10 171.09 2pyj s PRO 404 N 0.82 4.29 -0.00 1.54 0.04 -1.26 -2.50 135.00 137.94 2pyj s PRO 404 Ca 0.02 1.26 -0.08 0.00 0.04 0.00 0.00 61.00 62.24 2pyj s PRO 404 Cb -0.14 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 31.99 2pyj s PRO 404 CO 0.02 0.02 0.15 1.52 0.04 0.00 0.00 177.00 178.75 2pyj s TYR 405 N -1.92 0.02 -0.31 0.56 -0.85 -0.62 -4.86 117.35 109.36 2pyj s TYR 405 Ca 0.58 -0.08 -0.28 0.00 -0.52 0.00 0.00 57.07 56.77 2pyj s TYR 405 Cb -0.14 -0.03 0.01 0.00 0.38 0.00 0.00 41.96 42.18 2pyj s TYR 405 CO 0.19 -0.28 1.00 -1.17 -1.52 0.00 0.00 175.55 173.77 2pyj s LEU 406 N -1.30 3.98 0.97 -3.49 2.96 -1.26 -1.31 118.68 119.24 2pyj s LEU 406 Ca -0.14 0.97 -0.13 0.00 -0.22 0.00 0.00 54.13 54.61 2pyj s LEU 406 Cb -0.07 -3.43 0.17 0.00 0.50 0.00 0.00 46.19 43.36 2pyj s LEU 406 CO 0.02 -0.81 1.12 -0.54 -1.32 0.00 0.00 176.35 174.82 2pyj s LYS 407 N 3.46 0.63 0.18 1.98 1.02 0.38 -4.96 119.74 122.43 2pyj s LYS 407 Ca 0.42 0.33 -0.10 0.00 0.02 0.00 0.00 55.97 56.64 2pyj s LYS 407 Cb -0.13 -1.78 0.08 0.00 -0.52 0.00 0.00 37.83 35.49 2pyj s LYS 407 CO 0.14 -2.55 1.68 0.93 -0.92 0.00 0.00 175.35 174.63 2pyj h GLU 408 N -1.76 1.05 0.00 1.68 5.08 -1.97 -2.79 114.58 115.87 2pyj h GLU 408 Ca -0.52 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 57.56 2pyj h GLU 408 Cb 1.33 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2pyj h GLU 408 CO 0.58 0.97 0.00 0.27 -1.00 0.00 0.00 179.01 179.83 2pyj n ASN 409 N -4.27 0.00 0.00 1.42 0.23 -1.26 -4.83 115.26 106.55 2pyj n ASN 409 Ca 0.04 0.09 0.00 0.00 -0.53 0.00 0.00 54.58 54.17 2pyj n ASN 409 Cb 0.28 -0.23 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 2pyj n ASN 409 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2pyj n GLY 410 N -0.57 0.63 3.96 4.83 0.00 -1.05 -4.74 105.19 108.24 2pyj n GLY 410 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 2pyj n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pyj s ALA 411 N -2.28 3.90 0.17 4.61 0.00 -1.26 -4.64 121.76 122.26 2pyj s ALA 411 Ca 0.00 -1.16 -0.28 0.00 0.00 0.00 0.00 51.96 50.52 2pyj s ALA 411 Cb 0.00 -1.93 -0.08 0.00 0.00 0.00 0.00 23.12 21.12 2pyj s ALA 411 CO 0.00 -0.06 0.87 -0.51 0.00 0.00 0.00 175.76 176.06 2pyj s LEU 412 N -4.27 4.58 0.30 0.00 2.01 -1.26 -0.47 118.68 119.57 2pyj s LEU 412 Ca 0.42 1.77 0.10 0.00 0.01 0.00 0.00 54.13 56.43 2pyj s LEU 412 Cb -0.10 -3.47 -0.05 0.00 0.01 0.00 0.00 46.19 42.59 2pyj s LEU 412 CO 0.34 0.11 -0.04 -0.83 1.01 0.00 0.00 176.35 176.94 2pyj s GLY 413 N -0.78 1.90 -0.44 -3.19 0.00 -0.42 -4.77 107.32 99.61 2pyj s GLY 413 Ca 0.40 -1.85 0.03 0.00 0.00 0.00 0.00 44.72 43.31 2pyj s GLY 413 CO 0.29 -1.86 0.32 -1.36 0.00 0.00 0.00 173.10 170.49 2pyj s PHE 414 N -2.46 1.45 0.75 1.90 0.40 -1.26 -1.60 117.98 117.16 2pyj s PHE 414 Ca 0.33 -2.34 -0.11 0.00 -0.60 0.00 0.00 56.93 54.21 2pyj s PHE 414 Cb -0.03 -1.26 0.05 0.00 0.51 0.00 0.00 43.02 42.28 2pyj s PHE 414 CO 0.19 -0.79 1.09 1.03 0.70 0.00 0.00 175.22 177.44 2pyj s ARG 415 N 0.09 2.36 0.09 0.44 0.52 -1.04 -4.73 118.95 116.67 2pyj s ARG 415 Ca 0.27 1.21 -0.30 0.00 -0.52 0.00 0.00 55.73 56.39 2pyj s ARG 415 Cb -0.06 -1.91 -0.05 0.00 0.52 0.00 0.00 34.95 33.45 2pyj s ARG 415 CO -0.13 -1.57 1.01 -1.17 0.02 0.00 0.00 175.30 173.46 2pyj s LEU 416 N -5.73 4.45 0.00 2.53 2.96 -1.26 -0.23 118.68 121.40 2pyj s LEU 416 Ca 0.62 1.82 -0.15 0.00 -0.22 0.00 0.00 54.13 56.20 2pyj s LEU 416 Cb -0.18 -3.58 0.22 0.00 0.50 0.00 0.00 46.19 43.15 2pyj s LEU 416 CO 0.53 -0.18 1.06 0.61 -1.32 0.00 0.00 176.35 177.05 2pyj n GLY 417 N 2.49 -1.92 3.75 7.98 0.00 0.67 -4.80 105.19 113.35 2pyj n GLY 417 Ca 0.04 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 2pyj n GLY 417 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pyj n GLU 418 N -3.75 1.73 -1.68 1.61 -0.58 -1.26 -4.79 120.64 111.92 2pyj n GLU 418 Ca 0.14 0.64 -0.46 0.00 -0.42 0.00 0.00 57.16 57.05 2pyj n GLU 418 Cb 0.49 -2.59 -0.04 0.00 -0.57 0.00 0.00 31.44 28.74 2pyj n GLU 418 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2pyj n GLU 419 N -0.97 2.33 -4.00 3.49 2.13 -1.26 -4.63 120.64 117.73 2pyj n GLU 419 Ca 0.10 0.85 -0.30 0.00 0.66 0.00 0.00 57.16 58.47 2pyj n GLU 419 Cb 0.44 -2.68 -0.16 0.00 0.27 0.00 0.00 31.44 29.31 2pyj n GLU 419 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2pyj s GLU 420 N 2.57 2.13 -0.01 5.31 2.12 -1.26 -4.97 118.70 124.60 2pyj s GLU 420 Ca 0.85 -0.70 0.05 0.00 0.36 0.00 0.00 54.97 55.53 2pyj s GLU 420 Cb -0.63 -2.26 -0.03 0.00 0.26 0.00 0.00 34.13 31.47 2pyj s GLU 420 CO 0.43 -0.34 -0.14 -0.08 -0.54 0.00 0.00 175.26 174.58 2pyj s THR 421 N 1.45 3.06 0.31 -1.70 -1.32 -1.26 -0.38 115.64 115.80 2pyj s THR 421 Ca 0.02 -0.91 0.08 0.00 -1.21 0.00 0.00 61.69 59.67 2pyj s THR 421 Cb -0.15 -2.26 -0.06 0.00 -1.51 0.00 0.00 72.50 68.53 2pyj s THR 421 CO -0.09 0.46 -0.09 -1.59 -2.21 0.00 0.00 174.62 171.10 2pyj s LYS 422 N -1.13 1.68 0.58 7.08 -2.85 0.17 -4.91 119.74 120.38 2pyj s LYS 422 Ca 0.14 -1.85 -0.20 0.00 -1.00 0.00 0.00 55.97 53.05 2pyj s LYS 422 Cb -0.11 -1.46 -0.03 0.00 -2.06 0.00 0.00 37.83 34.17 2pyj s LYS 422 CO 0.04 0.11 1.28 -0.51 0.10 0.00 0.00 175.35 176.37 2pyj s ASP 423 N -3.52 5.10 0.78 0.03 1.01 -1.26 -4.53 116.67 114.27 2pyj s ASP 423 Ca 0.31 2.59 -0.11 0.00 0.71 0.00 0.00 52.55 56.05 2pyj s ASP 423 Cb 0.02 -2.62 0.06 0.00 1.01 0.00 0.00 42.92 41.40 2pyj s ASP 423 CO 0.14 -1.67 1.09 -2.16 0.21 0.00 0.00 175.17 172.78 2pyj s PRO 424 N -3.15 2.20 0.00 8.23 0.04 -1.26 -4.77 135.00 136.29 2pyj s PRO 424 Ca 0.76 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2pyj s PRO 424 Cb -0.36 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2pyj s PRO 424 CO 0.40 -1.68 0.00 0.28 0.04 0.00 0.00 177.00 176.04 2pyj n VAL 425 N -3.55 0.00 -3.12 -0.36 0.31 -1.26 -4.78 118.33 105.57 2pyj n VAL 425 Ca 0.09 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.37 2pyj n VAL 425 Cb 0.53 -0.20 -0.02 0.00 -0.91 0.00 0.00 33.84 33.24 2pyj n VAL 425 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2pyj s TYR 426 N 0.00 -1.33 0.35 3.52 5.04 -0.44 -4.65 117.35 119.84 2pyj s TYR 426 Ca 0.00 -0.28 0.06 0.00 -2.44 0.00 0.00 57.07 54.40 2pyj s TYR 426 Cb 0.00 0.14 0.64 0.00 0.35 0.00 0.00 41.96 43.09 2pyj s TYR 426 CO 0.00 -1.16 1.88 1.15 -1.34 0.00 0.00 175.55 176.08 2pyj h THR 427 N 4.98 1.19 -0.55 4.34 2.02 -1.91 -2.76 112.91 120.22 2pyj h THR 427 Ca 0.06 -0.80 0.12 0.00 0.77 0.00 0.00 66.41 66.56 2pyj h THR 427 Cb 1.13 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 2pyj h THR 427 CO 0.10 0.27 0.38 -0.65 0.37 0.00 0.00 175.52 175.99 2pyj h PRO 428 N 0.42 0.20 -0.54 6.66 0.11 -1.94 -0.03 132.00 136.88 2pyj h PRO 428 Ca 0.09 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.19 2pyj h PRO 428 Cb 0.36 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 2pyj h PRO 428 CO 0.02 0.13 0.35 0.52 -0.21 0.00 0.00 178.00 178.81 2pyj h MET 429 N 0.20 0.70 -0.63 1.05 2.86 -1.77 -2.28 114.93 115.06 2pyj h MET 429 Ca 0.26 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.82 2pyj h MET 429 Cb 0.76 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 2pyj h MET 429 CO -0.05 0.46 0.24 0.78 1.06 0.00 0.00 176.91 179.41 2pyj h GLY 430 N 0.72 1.01 0.54 8.32 0.00 -1.17 -1.51 103.07 110.99 2pyj h GLY 430 Ca 0.20 -0.56 0.06 0.00 0.00 0.00 0.00 47.33 47.03 2pyj h GLY 430 CO -0.05 0.53 0.07 -2.08 0.00 0.00 0.00 176.54 175.01 2pyj h VAL 431 N 0.88 0.81 0.00 4.60 2.07 -0.97 -2.60 116.25 121.03 2pyj h VAL 431 Ca 0.21 -0.07 -0.20 0.00 0.82 0.00 0.00 66.70 67.46 2pyj h VAL 431 Cb 0.22 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2pyj h VAL 431 CO -0.02 0.04 -1.07 -0.26 0.02 0.00 0.00 177.57 176.28 2pyj h PHE 432 N 0.19 0.00 -0.36 1.57 -1.00 -1.39 -2.46 116.94 113.50 2pyj h PHE 432 Ca 0.18 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.95 2pyj h PHE 432 Cb 0.21 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 2pyj h PHE 432 CO -0.20 0.86 0.19 0.82 -1.61 0.00 0.00 178.31 178.37 2pyj h ILE 433 N 0.00 1.15 -0.10 -0.55 2.04 -1.23 -1.24 117.51 117.57 2pyj h ILE 433 Ca -0.08 -0.39 -0.17 0.00 1.00 0.00 0.00 64.86 65.23 2pyj h ILE 433 Cb 1.72 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 2pyj h ILE 433 CO 0.10 0.15 -0.64 0.71 0.00 0.00 0.00 178.15 178.47 2pyj h THR 434 N 0.45 1.37 0.02 -0.27 1.35 -1.53 -2.06 112.91 112.24 2pyj h THR 434 Ca 0.13 -2.01 -0.00 0.00 -0.55 0.00 0.00 66.41 63.98 2pyj h THR 434 Cb 0.07 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 2pyj h THR 434 CO -0.02 0.60 -0.01 0.00 -0.25 0.00 0.00 175.52 175.85 2pyj h ALA 435 N 1.03 -0.03 -0.67 6.62 0.00 -1.32 -0.51 119.26 124.38 2pyj h ALA 435 Ca -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2pyj h ALA 435 Cb 1.19 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2pyj h ALA 435 CO 0.11 -0.48 0.33 -1.49 0.00 0.00 0.00 179.25 177.71 2pyj h TRP 436 N -0.09 0.94 -0.50 0.00 -0.00 -1.23 -0.79 115.95 114.27 2pyj h TRP 436 Ca -0.00 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 58.82 2pyj h TRP 436 Cb 0.08 -0.30 -0.02 0.00 -0.00 0.00 0.00 29.16 28.92 2pyj h TRP 436 CO -0.06 0.68 0.17 0.00 -0.00 0.00 0.00 178.44 179.24 2pyj h ALA 437 N 1.42 0.66 -0.36 1.49 0.00 -1.17 -0.74 119.26 120.56 2pyj h ALA 437 Ca 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2pyj h ALA 437 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2pyj h ALA 437 CO -0.03 0.30 0.20 0.00 0.00 0.00 0.00 179.25 179.71 2pyj h ARG 438 N 0.68 0.51 -0.45 0.00 3.08 -0.78 -1.45 114.38 115.97 2pyj h ARG 438 Ca 0.16 -0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.22 2pyj h ARG 438 Cb 0.25 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.14 2pyj h ARG 438 CO -0.01 0.42 0.12 -0.92 -1.07 0.00 0.00 179.97 178.52 2pyj h TYR 439 N 0.46 0.21 0.16 3.04 3.20 -1.01 0.27 116.97 123.29 2pyj h TYR 439 Ca 0.13 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 2pyj h TYR 439 Cb 0.07 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.31 2pyj h TYR 439 CO -0.03 0.05 -0.08 1.15 -1.64 0.00 0.00 178.16 177.62 2pyj h THR 440 N 0.27 0.85 -0.16 1.81 2.02 -0.88 -1.43 112.91 115.39 2pyj h THR 440 Ca 0.22 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 67.32 2pyj h THR 440 Cb 0.25 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2pyj h THR 440 CO -0.25 0.01 -0.08 0.74 0.37 0.00 0.00 175.52 176.30 2pyj h THR 441 N -0.22 1.32 -0.87 3.16 2.02 -1.11 -2.93 112.91 114.27 2pyj h THR 441 Ca -0.02 -1.14 -0.03 0.00 0.77 0.00 0.00 66.41 65.99 2pyj h THR 441 Cb 0.17 1.73 -0.04 0.00 -1.74 0.00 0.00 68.15 68.27 2pyj h THR 441 CO 0.04 0.34 0.43 0.40 0.37 0.00 0.00 175.52 177.09 2pyj h ILE 442 N 0.01 1.26 -0.69 3.11 2.04 -0.97 -1.20 117.51 121.07 2pyj h ILE 442 Ca 0.03 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 2pyj h ILE 442 Cb 0.56 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 2pyj h ILE 442 CO 0.02 0.31 0.30 0.74 0.00 0.00 0.00 178.15 179.53 2pyj h THR 443 N 1.23 1.24 -0.32 -0.27 2.02 -1.25 -0.18 112.91 115.39 2pyj h THR 443 Ca 0.30 -0.71 -0.17 0.00 0.77 0.00 0.00 66.41 66.61 2pyj h THR 443 Cb 0.09 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 2pyj h THR 443 CO -0.04 0.29 -0.45 0.00 0.37 0.00 0.00 175.52 175.69 2pyj h ALA 444 N 1.14 0.48 -0.56 6.16 0.00 -1.32 -0.82 119.26 124.34 2pyj h ALA 444 Ca 0.23 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2pyj h ALA 444 Cb 0.17 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2pyj h ALA 444 CO -0.02 0.63 0.34 0.00 0.00 0.00 0.00 179.25 180.19 2pyj h ALA 445 N 0.71 0.71 -0.66 0.00 0.00 -1.06 -2.32 119.26 116.64 2pyj h ALA 445 Ca 0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2pyj h ALA 445 Cb 1.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2pyj h ALA 445 CO 0.10 0.19 0.22 0.37 0.00 0.00 0.00 179.25 180.14 2pyj h GLN 446 N 0.75 0.99 0.00 0.00 5.75 -0.93 -1.27 115.11 120.41 2pyj h GLN 446 Ca 0.20 -0.19 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2pyj h GLN 446 Cb -0.02 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.37 2pyj h GLN 446 CO -0.04 0.84 -0.01 0.00 -2.65 0.00 0.00 178.83 176.97 2pyj h ALA 447 N 1.28 1.75 -0.62 3.38 0.00 -0.71 -2.63 119.26 121.71 2pyj h ALA 447 Ca 0.22 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.81 2pyj h ALA 447 Cb 0.25 -0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.85 2pyj h ALA 447 CO -0.01 0.01 0.23 0.00 0.00 0.00 0.00 179.25 179.48 2pyj h TYR 449 N 1.10 0.69 0.00 0.00 3.20 -1.08 -1.03 116.97 119.84 2pyj h TYR 449 Ca 0.38 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.29 2pyj h TYR 449 Cb 2.17 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 40.27 2pyj h TYR 449 CO 1.26 0.05 0.00 0.38 -1.64 0.00 0.00 178.16 178.21 2pyj h ASP 450 N 0.49 0.00 -0.00 -2.11 2.03 -1.88 -3.21 116.42 111.73 2pyj h ASP 450 Ca 0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.81 2pyj h ASP 450 Cb 0.87 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.37 2pyj h ASP 450 CO -0.46 0.00 -0.12 0.54 -1.03 0.00 0.00 179.24 178.17 2pyj n ARG 451 N -3.02 3.47 -2.32 4.15 1.74 -0.47 -5.00 116.66 115.21 2pyj n ARG 451 Ca -0.00 -0.28 -0.42 0.00 -0.77 0.00 0.00 57.85 56.38 2pyj n ARG 451 Cb 0.24 -0.83 -0.03 0.00 -1.02 0.00 0.00 32.46 30.82 2pyj n ARG 451 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2pyj s ILE 452 N -1.02 3.84 -0.22 0.55 1.10 -0.72 -1.51 121.20 123.22 2pyj s ILE 452 Ca 0.03 1.27 -0.08 0.00 -0.51 0.00 0.00 60.65 61.36 2pyj s ILE 452 Cb 0.03 -3.81 -0.11 0.00 0.15 0.00 0.00 42.46 38.72 2pyj s ILE 452 CO 0.13 0.05 -0.27 -0.38 -2.11 0.00 0.00 174.94 172.36 2pyj n ILE 453 N 4.30 1.24 -3.59 2.00 5.41 0.61 -4.79 119.36 124.54 2pyj n ILE 453 Ca 0.11 -0.36 -0.16 0.00 1.00 0.00 0.00 62.75 63.35 2pyj n ILE 453 Cb 0.45 -1.66 -0.07 0.00 -0.71 0.00 0.00 39.64 37.65 2pyj n ILE 453 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 2pyj s TYR 454 N -2.42 -0.71 0.00 1.39 5.04 -1.18 -0.17 117.35 119.30 2pyj s TYR 454 Ca -0.31 1.55 0.05 0.00 -2.44 0.00 0.00 57.07 55.91 2pyj s TYR 454 Cb 0.11 0.32 -0.01 0.00 0.35 0.00 0.00 41.96 42.72 2pyj s TYR 454 CO 0.42 -0.46 -0.14 0.00 -1.34 0.00 0.00 175.55 174.03 2pyj s ASP 456 N -0.56 3.68 0.00 0.00 -1.08 -1.22 -1.27 116.67 116.21 2pyj s ASP 456 Ca 0.05 -2.13 0.00 0.00 -0.52 0.00 0.00 52.55 49.95 2pyj s ASP 456 Cb -0.06 -0.84 0.00 0.00 -1.46 0.00 0.00 42.92 40.56 2pyj s ASP 456 CO -0.00 -0.34 0.00 0.41 0.52 0.00 0.00 175.17 175.76 2pyj n THR 457 N 4.18 0.00 -2.16 1.71 -1.04 0.10 -3.33 114.28 113.75 2pyj n THR 457 Ca 0.05 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.07 2pyj n THR 457 Cb 0.38 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 2pyj n THR 457 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2pyj n ASP 458 N 3.74 0.28 -4.20 8.00 5.75 -1.26 -4.54 116.55 124.32 2pyj n ASP 458 Ca 0.00 -1.93 -0.22 0.00 -0.01 0.00 0.00 54.79 52.62 2pyj n ASP 458 Cb 0.00 -0.20 -0.13 0.00 -1.03 0.00 0.00 41.12 39.76 2pyj n ASP 458 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2pyj s SER 459 N -1.25 2.03 -0.11 -1.12 1.04 -1.21 -1.20 113.70 111.87 2pyj s SER 459 Ca 0.11 -0.52 0.02 0.00 0.48 0.00 0.00 55.95 56.04 2pyj s SER 459 Cb 0.12 -0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.12 2pyj s SER 459 CO -0.05 0.07 -0.17 0.27 0.98 0.00 0.00 173.24 174.33 2pyj s ILE 460 N -0.91 1.63 -0.22 -1.02 -4.36 -0.21 -3.45 121.20 112.65 2pyj s ILE 460 Ca 0.04 -0.72 -0.07 0.00 -0.26 0.00 0.00 60.65 59.63 2pyj s ILE 460 Cb -0.09 -1.47 -0.03 0.00 1.25 0.00 0.00 42.46 42.12 2pyj s ILE 460 CO 0.02 0.47 0.06 -1.00 0.24 0.00 0.00 174.94 174.72 2pyj s HIS 461 N 0.92 3.12 0.09 1.37 3.76 -0.05 -1.47 115.29 123.03 2pyj s HIS 461 Ca -0.07 -0.26 0.08 0.00 -0.15 0.00 0.00 55.06 54.66 2pyj s HIS 461 Cb -0.15 -2.17 -0.03 0.00 1.11 0.00 0.00 32.58 31.34 2pyj s HIS 461 CO -0.01 -0.19 -0.22 -0.51 -0.85 0.00 0.00 174.74 172.96 2pyj s LEU 462 N 1.16 2.26 0.68 0.89 1.43 -0.20 -0.28 118.68 124.62 2pyj s LEU 462 Ca 0.04 -0.65 -0.13 0.00 -1.03 0.00 0.00 54.13 52.36 2pyj s LEU 462 Cb -0.14 -0.98 0.01 0.00 0.03 0.00 0.00 46.19 45.10 2pyj s LEU 462 CO 0.03 0.11 1.09 0.42 0.23 0.00 0.00 176.35 178.23 2pyj s THR 463 N -1.03 3.50 0.00 5.49 -4.23 -0.57 -0.69 115.64 118.11 2pyj s THR 463 Ca 0.08 0.60 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 2pyj s THR 463 Cb -0.10 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.60 2pyj s THR 463 CO 0.04 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.21 2pyj n GLY 464 N -1.03 -1.71 0.00 3.99 0.00 -0.02 -4.72 105.19 101.70 2pyj n GLY 464 Ca 0.09 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.57 2pyj n GLY 464 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pyj n THR 465 N -1.86 0.06 -3.55 2.61 -2.24 -1.26 -3.15 114.28 104.89 2pyj n THR 465 Ca 0.00 -0.49 -0.37 0.00 -2.27 0.00 0.00 64.05 60.92 2pyj n THR 465 Cb 0.00 1.04 -0.06 0.00 -2.10 0.00 0.00 70.33 69.21 2pyj n THR 465 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2pyj s GLU 466 N -0.06 4.00 0.10 -0.78 2.02 -1.26 -5.01 118.70 117.70 2pyj s GLU 466 Ca 0.00 0.23 -0.31 0.00 0.02 0.00 0.00 54.97 54.91 2pyj s GLU 466 Cb 0.00 -3.30 -0.09 0.00 0.10 0.00 0.00 34.13 30.83 2pyj s GLU 466 CO 0.00 0.50 1.68 0.42 0.02 0.00 0.00 175.26 177.88 2pyj s ILE 467 N -0.39 2.82 0.34 -1.63 1.01 -1.26 -4.93 121.20 117.15 2pyj s ILE 467 Ca 0.20 0.37 -0.28 0.00 0.00 0.00 0.00 60.65 60.93 2pyj s ILE 467 Cb -0.15 -3.24 -0.12 0.00 0.01 0.00 0.00 42.46 38.97 2pyj s ILE 467 CO 0.09 0.01 1.37 -2.65 0.00 0.00 0.00 174.94 173.75 2pyj n PRO 468 N 5.27 2.30 -0.28 2.79 -0.02 -1.26 -4.88 135.00 138.91 2pyj n PRO 468 Ca 0.16 0.81 0.05 0.00 -2.02 0.00 0.00 63.50 62.50 2pyj n PRO 468 Cb 0.39 -2.45 0.27 0.00 -0.02 0.00 0.00 33.50 31.69 2pyj n PRO 468 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2pyj h ASP 469 N 2.94 0.85 0.14 2.55 3.58 -2.00 -2.30 116.42 122.18 2pyj h ASP 469 Ca -0.47 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 56.95 2pyj h ASP 469 Cb 1.27 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.14 2pyj h ASP 469 CO 0.65 0.53 -0.16 1.62 -2.88 0.00 0.00 179.24 179.00 2pyj h VAL 470 N 0.95 1.13 -0.14 2.25 3.04 -1.94 -3.01 116.25 118.54 2pyj h VAL 470 Ca 0.39 -0.60 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 2pyj h VAL 470 Cb 0.27 1.29 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 2pyj h VAL 470 CO -0.15 0.17 0.00 2.30 -1.01 0.00 0.00 177.57 178.88 2pyj n ILE 471 N -4.33 0.23 -0.28 3.17 -5.35 -0.99 -4.71 119.36 107.10 2pyj n ILE 471 Ca -0.02 -0.62 0.05 0.00 -0.27 0.00 0.00 62.75 61.89 2pyj n ILE 471 Cb 0.24 1.15 0.19 0.00 -1.74 0.00 0.00 39.64 39.48 2pyj n ILE 471 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2pyj h LYS 472 N 3.22 0.60 0.00 6.28 3.64 -1.28 -1.15 116.57 127.87 2pyj h LYS 472 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2pyj h LYS 472 Cb 0.73 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2pyj h LYS 472 CO 0.00 0.39 0.00 -0.25 -2.27 0.00 0.00 179.45 177.32 2pyj n ASP 473 N -4.87 0.14 -0.71 4.20 10.43 -1.26 -3.23 116.55 121.25 2pyj n ASP 473 Ca 0.15 0.52 0.06 0.00 2.57 0.00 0.00 54.79 58.09 2pyj n ASP 473 Cb 0.38 -0.55 0.18 0.00 1.84 0.00 0.00 41.12 42.96 2pyj n ASP 473 CO 0.00 0.00 0.00 2.30 -1.07 0.00 0.00 177.20 178.43 2pyj n ILE 474 N -1.63 1.20 -3.41 0.53 -5.35 -0.46 -4.95 119.36 105.29 2pyj n ILE 474 Ca 0.06 -1.13 -0.37 0.00 -0.27 0.00 0.00 62.75 61.04 2pyj n ILE 474 Cb 0.31 0.39 -0.07 0.00 -1.74 0.00 0.00 39.64 38.53 2pyj n ILE 474 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2pyj s VAL 475 N -1.27 5.23 -0.25 7.28 1.01 -1.06 -0.05 120.40 131.29 2pyj s VAL 475 Ca 0.27 0.75 -0.26 0.00 0.00 0.00 0.00 61.98 62.74 2pyj s VAL 475 Cb 0.16 -3.73 0.07 0.00 0.00 0.00 0.00 36.38 32.88 2pyj s VAL 475 CO 0.15 0.32 0.73 -0.62 0.00 0.00 0.00 175.10 175.68 2pyj s ASP 476 N 0.72 -0.72 0.48 3.32 -1.08 -0.51 -4.87 116.67 114.01 2pyj s ASP 476 Ca 0.21 1.34 0.26 0.00 -0.52 0.00 0.00 52.55 53.83 2pyj s ASP 476 Cb -0.14 1.33 1.16 0.00 -1.46 0.00 0.00 42.92 43.81 2pyj s ASP 476 CO 0.07 -0.28 1.93 1.55 0.52 0.00 0.00 175.17 178.96 2pyj h PRO 477 N 4.73 0.00 0.00 4.34 0.13 -1.95 -3.11 132.00 136.14 2pyj h PRO 477 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2pyj h PRO 477 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2pyj h PRO 477 CO 0.09 0.18 -0.67 1.63 -0.23 0.00 0.00 178.00 179.00 2pyj n LYS 478 N -3.48 2.62 -1.75 0.86 4.76 -1.26 -4.85 118.16 115.07 2pyj n LYS 478 Ca -0.01 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.01 2pyj n LYS 478 Cb 0.35 -0.84 -0.03 0.00 -1.84 0.00 0.00 35.03 32.67 2pyj n LYS 478 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2pyj s LYS 479 N -1.64 4.14 0.05 1.97 1.02 -1.26 -4.89 119.74 119.13 2pyj s LYS 479 Ca 0.00 2.57 -0.35 0.00 0.02 0.00 0.00 55.97 58.21 2pyj s LYS 479 Cb 0.00 -3.35 -0.14 0.00 -0.52 0.00 0.00 37.83 33.82 2pyj s LYS 479 CO 0.00 -0.78 1.59 -0.11 -0.92 0.00 0.00 175.35 175.13 2pyj n LEU 480 N 4.85 2.71 0.00 3.17 7.94 -1.26 -1.14 117.00 133.27 2pyj n LEU 480 Ca 0.17 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 56.14 2pyj n LEU 480 Cb 0.37 -1.32 0.00 0.00 0.53 0.00 0.00 43.42 43.00 2pyj n LEU 480 CO 0.64 -0.46 0.00 0.61 -1.11 0.00 0.00 177.39 177.08 2pyj n GLY 481 N 3.45 2.60 3.88 -3.96 0.00 -0.21 -5.00 105.19 105.96 2pyj n GLY 481 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 2pyj n GLY 481 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pyj s TYR 482 N -2.43 3.48 -0.42 1.61 2.02 -0.29 -4.75 117.35 116.57 2pyj s TYR 482 Ca 0.00 1.11 -0.19 0.00 -0.37 0.00 0.00 57.07 57.62 2pyj s TYR 482 Cb 0.00 -2.83 0.02 0.00 -0.40 0.00 0.00 41.96 38.75 2pyj s TYR 482 CO 0.00 -0.86 0.56 -1.58 -1.57 0.00 0.00 175.55 172.10 2pyj s TRP 483 N -3.20 3.12 0.22 2.71 0.52 0.93 -1.41 118.94 121.83 2pyj s TRP 483 Ca 0.56 -0.10 -0.30 0.00 0.02 0.00 0.00 56.10 56.28 2pyj s TRP 483 Cb -0.11 -3.14 -0.09 0.00 -1.15 0.00 0.00 33.47 28.98 2pyj s TRP 483 CO 0.52 -0.76 1.29 0.00 0.02 0.00 0.00 176.95 178.02 2pyj s ALA 484 N 2.55 3.51 -0.79 0.98 0.00 -0.24 -1.42 121.76 126.35 2pyj s ALA 484 Ca 0.19 1.10 -0.26 0.00 0.00 0.00 0.00 51.96 52.99 2pyj s ALA 484 Cb -0.15 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.53 2pyj s ALA 484 CO 0.16 -0.52 1.34 -1.58 0.00 0.00 0.00 175.76 175.17 2pyj s HIS 485 N -0.11 2.30 -0.01 0.00 2.46 -1.26 -1.08 115.29 117.58 2pyj s HIS 485 Ca 0.55 -0.16 -0.14 0.00 0.47 0.00 0.00 55.06 55.78 2pyj s HIS 485 Cb -0.36 -4.61 -0.34 0.00 -0.13 0.00 0.00 32.58 27.14 2pyj s HIS 485 CO 0.40 -2.06 0.85 1.49 -2.47 0.00 0.00 174.74 172.95 2pyj h GLU 486 N 10.21 0.48 -3.17 2.88 4.81 -1.16 -3.49 114.58 125.14 2pyj h GLU 486 Ca -0.18 -0.82 0.01 0.00 -0.13 0.00 0.00 59.36 58.23 2pyj h GLU 486 Cb 1.05 0.30 -0.09 0.00 0.63 0.00 0.00 28.75 30.64 2pyj h GLU 486 CO 1.30 1.39 0.12 -1.54 -0.73 0.00 0.00 179.01 179.55 2pyj s SER 487 N -7.46 -0.31 -0.04 1.04 1.04 -1.14 -4.91 113.70 101.92 2pyj s SER 487 Ca -0.12 -0.45 0.04 0.00 0.48 0.00 0.00 55.95 55.89 2pyj s SER 487 Cb 0.05 0.63 -0.00 0.00 0.10 0.00 0.00 66.02 66.80 2pyj s SER 487 CO 0.91 -1.13 -0.14 -0.89 0.98 0.00 0.00 173.24 172.96 2pyj s THR 488 N -3.87 1.19 0.10 2.02 2.01 -1.26 -1.21 115.64 114.61 2pyj s THR 488 Ca 0.09 -0.58 0.09 0.00 0.31 0.00 0.00 61.69 61.60 2pyj s THR 488 Cb -0.03 -1.03 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 2pyj s THR 488 CO -0.01 0.35 -0.22 0.72 -0.69 0.00 0.00 174.62 174.77 2pyj s PHE 489 N 0.11 2.44 0.08 4.92 -0.71 0.44 -1.40 117.98 123.87 2pyj s PHE 489 Ca -0.04 -0.32 -0.13 0.00 -1.04 0.00 0.00 56.93 55.41 2pyj s PHE 489 Cb -0.11 -1.35 -0.21 0.00 -1.21 0.00 0.00 43.02 40.15 2pyj s PHE 489 CO 0.02 0.31 1.22 -0.22 -1.34 0.00 0.00 175.22 175.20 2pyj h LYS 490 N 4.08 0.70 -3.23 1.99 3.64 -0.53 -1.30 116.57 121.92 2pyj h LYS 490 Ca -0.49 -0.72 -0.03 0.00 -1.27 0.00 0.00 60.65 58.14 2pyj h LYS 490 Cb 1.16 0.20 -0.12 0.00 -0.41 0.00 0.00 32.23 33.06 2pyj h LYS 490 CO 0.44 1.30 0.05 -0.98 -2.27 0.00 0.00 179.45 177.99 2pyj s ARG 491 N -3.38 1.23 0.23 1.90 1.70 -1.22 -2.35 118.95 117.05 2pyj s ARG 491 Ca -0.10 -0.68 -0.20 0.00 -0.47 0.00 0.00 55.73 54.29 2pyj s ARG 491 Cb 0.07 0.53 0.03 0.00 -0.57 0.00 0.00 34.95 35.01 2pyj s ARG 491 CO 0.92 -0.52 0.62 0.00 -1.08 0.00 0.00 175.30 175.23 2pyj s ALA 492 N -3.81 -1.12 -0.22 7.88 0.00 -0.72 -1.00 121.76 122.78 2pyj s ALA 492 Ca 0.04 -0.18 -0.08 0.00 0.00 0.00 0.00 51.96 51.74 2pyj s ALA 492 Cb 0.00 0.88 0.10 0.00 0.00 0.00 0.00 23.12 24.09 2pyj s ALA 492 CO -0.10 -0.90 0.49 0.21 0.00 0.00 0.00 175.76 175.46 2pyj s LYS 493 N -3.88 0.41 -0.25 0.00 2.20 -0.68 -0.56 119.74 116.98 2pyj s LYS 493 Ca 0.10 1.12 -0.05 0.00 -0.36 0.00 0.00 55.97 56.78 2pyj s LYS 493 Cb -0.03 0.41 -0.00 0.00 -1.51 0.00 0.00 37.83 36.70 2pyj s LYS 493 CO 0.00 -0.22 -0.00 0.71 -0.36 0.00 0.00 175.35 175.48 2pyj s TYR 494 N 2.49 3.04 -0.07 4.03 1.51 -1.26 -1.18 117.35 125.91 2pyj s TYR 494 Ca -0.04 -1.00 -0.14 0.00 -1.01 0.00 0.00 57.07 54.88 2pyj s TYR 494 Cb -0.11 -2.15 -0.29 0.00 -0.11 0.00 0.00 41.96 39.29 2pyj s TYR 494 CO -0.15 -0.57 0.64 -0.07 -1.11 0.00 0.00 175.55 174.30 2pyj h LEU 495 N 8.14 0.51 0.00 -1.29 3.38 -1.65 0.34 115.31 124.73 2pyj h LEU 495 Ca -0.37 -0.90 0.15 0.00 0.09 0.00 0.00 57.88 56.85 2pyj h LEU 495 Cb 1.14 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 2pyj h LEU 495 CO 0.60 1.68 0.42 -2.11 0.09 0.00 0.00 178.44 179.11 2pyj n ARG 496 N -3.79 0.18 -1.70 1.13 1.85 -1.18 -4.38 116.66 108.76 2pyj n ARG 496 Ca -0.24 -0.53 -0.44 0.00 -1.00 0.00 0.00 57.85 55.65 2pyj n ARG 496 Cb 0.98 0.80 -0.03 0.00 -1.05 0.00 0.00 32.46 33.16 2pyj n ARG 496 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2pyj n GLN 497 N -0.45 2.38 -1.92 2.89 6.02 -1.26 -2.48 117.38 122.57 2pyj n GLN 497 Ca 0.01 0.85 -0.17 0.00 -0.01 0.00 0.00 57.00 57.68 2pyj n GLN 497 Cb 0.30 -2.60 -0.04 0.00 1.02 0.00 0.00 30.24 28.92 2pyj n GLN 497 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2pyj n LYS 498 N 2.55 -1.62 -3.48 -1.09 5.02 -1.26 -4.87 118.16 113.40 2pyj n LYS 498 Ca 0.12 0.94 -0.29 0.00 -2.02 0.00 0.00 58.31 57.06 2pyj n LYS 498 Cb 0.33 -5.41 -0.13 0.00 -0.02 0.00 0.00 35.03 29.81 2pyj n LYS 498 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2pyj s THR 499 N -2.65 0.09 0.27 -0.18 2.01 -1.03 -1.31 115.64 112.84 2pyj s THR 499 Ca 0.00 -1.51 -0.16 0.00 0.31 0.00 0.00 61.69 60.33 2pyj s THR 499 Cb 0.00 -1.09 0.01 0.00 0.01 0.00 0.00 72.50 71.43 2pyj s THR 499 CO 0.00 -0.94 0.60 -0.72 -0.69 0.00 0.00 174.62 172.88 2pyj s TYR 500 N 1.29 0.13 0.05 4.92 -0.85 0.75 -1.63 117.35 122.00 2pyj s TYR 500 Ca 0.16 -0.55 0.02 0.00 -0.52 0.00 0.00 57.07 56.18 2pyj s TYR 500 Cb -0.22 0.45 -0.03 0.00 0.38 0.00 0.00 41.96 42.54 2pyj s TYR 500 CO -0.07 -1.14 -0.07 0.96 -1.52 0.00 0.00 175.55 173.71 2pyj s ILE 501 N -3.85 0.52 -0.06 -3.49 -4.36 -0.33 -0.76 121.20 108.87 2pyj s ILE 501 Ca 0.17 -1.19 -0.06 0.00 -0.26 0.00 0.00 60.65 59.32 2pyj s ILE 501 Cb -0.03 -0.73 0.02 0.00 1.25 0.00 0.00 42.46 42.96 2pyj s ILE 501 CO 0.09 -0.46 0.16 -1.10 0.24 0.00 0.00 174.94 173.86 2pyj s GLN 502 N -1.89 0.19 -0.44 0.37 -0.21 -0.34 -1.68 119.66 115.65 2pyj s GLN 502 Ca -0.07 0.23 -0.12 0.00 0.02 0.00 0.00 55.36 55.41 2pyj s GLN 502 Cb -0.08 0.08 0.07 0.00 1.00 0.00 0.00 33.01 34.09 2pyj s GLN 502 CO -0.01 -0.03 0.32 -0.51 -2.12 0.00 0.00 175.29 172.95 2pyj s ASP 503 N 0.13 5.90 -0.20 5.90 1.01 -0.17 -0.27 116.67 128.97 2pyj s ASP 503 Ca -0.00 -1.38 -0.10 0.00 0.71 0.00 0.00 52.55 51.77 2pyj s ASP 503 Cb -0.02 -2.09 -0.05 0.00 1.01 0.00 0.00 42.92 41.78 2pyj s ASP 503 CO -0.00 -0.58 0.15 -0.63 0.21 0.00 0.00 175.17 174.31 2pyj s ILE 504 N 1.54 5.40 0.08 0.77 1.01 0.46 0.19 121.20 130.65 2pyj s ILE 504 Ca 0.03 0.21 -0.31 0.00 0.00 0.00 0.00 60.65 60.59 2pyj s ILE 504 Cb -0.23 -3.49 -0.09 0.00 0.01 0.00 0.00 42.46 38.66 2pyj s ILE 504 CO 0.05 0.42 1.83 -0.31 0.00 0.00 0.00 174.94 176.93 2pyj s TYR 505 N 0.46 1.95 0.05 3.97 1.51 -0.49 -0.29 117.35 124.51 2pyj s TYR 505 Ca 0.08 -0.08 0.05 0.00 -1.01 0.00 0.00 57.07 56.12 2pyj s TYR 505 Cb -0.11 -4.15 -0.02 0.00 -0.11 0.00 0.00 41.96 37.56 2pyj s TYR 505 CO -0.01 -4.86 -0.15 -1.64 -1.11 0.00 0.00 175.55 167.78 2pyj s MET 506 N 3.25 0.97 -0.08 -0.62 -1.94 0.13 -0.75 119.30 120.26 2pyj s MET 506 Ca 0.81 -0.86 0.04 0.00 -1.71 0.00 0.00 55.69 53.98 2pyj s MET 506 Cb -0.44 -1.01 -0.01 0.00 2.01 0.00 0.00 34.83 35.38 2pyj s MET 506 CO 0.37 0.24 -0.21 0.21 -0.01 0.00 0.00 175.02 175.62 2pyj s LYS 507 N -1.35 2.86 -0.23 2.03 2.20 0.42 -0.39 119.74 125.27 2pyj s LYS 507 Ca 0.02 -0.83 -0.28 0.00 -0.36 0.00 0.00 55.97 54.52 2pyj s LYS 507 Cb -0.09 -2.32 0.01 0.00 -1.51 0.00 0.00 37.83 33.92 2pyj s LYS 507 CO 0.02 0.31 0.98 -2.00 -0.36 0.00 0.00 175.35 174.30 2pyj s GLU 508 N 0.03 4.24 -0.41 4.03 -6.30 -1.26 -1.51 118.70 117.53 2pyj s GLU 508 Ca -0.08 1.24 0.09 0.00 -2.50 0.00 0.00 54.97 53.72 2pyj s GLU 508 Cb -0.15 -3.64 0.33 0.00 0.00 0.00 0.00 34.13 30.67 2pyj s GLU 508 CO 0.05 -0.59 0.87 0.28 0.02 0.00 0.00 175.26 175.90 2pyj n VAL 509 N 5.29 -0.12 0.00 3.70 0.31 -1.26 -4.90 118.33 121.34 2pyj n VAL 509 Ca 0.10 -3.32 0.00 0.00 -0.01 0.00 0.00 64.34 61.11 2pyj n VAL 509 Cb 0.46 0.39 0.00 0.00 -0.91 0.00 0.00 33.84 33.78 2pyj n VAL 509 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pyj n GLY 511 N 0.38 0.53 3.01 2.92 0.00 -1.26 -4.62 105.19 106.15 2pyj n GLY 511 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 2pyj n GLY 511 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pyj s LYS 512 N 1.99 0.59 -0.33 1.61 1.02 -1.26 -5.12 119.74 118.24 2pyj s LYS 512 Ca 0.00 -0.35 -0.22 0.00 0.02 0.00 0.00 55.97 55.42 2pyj s LYS 512 Cb 0.00 -0.55 0.00 0.00 -0.52 0.00 0.00 37.83 36.76 2pyj s LYS 512 CO 0.00 0.15 0.74 -1.17 -0.92 0.00 0.00 175.35 174.15 2pyj s LEU 513 N -0.40 4.13 0.34 3.17 2.96 -1.26 -4.43 118.68 123.18 2pyj s LEU 513 Ca 0.01 0.48 0.09 0.00 -0.22 0.00 0.00 54.13 54.49 2pyj s LEU 513 Cb -0.04 -2.98 -0.07 0.00 0.50 0.00 0.00 46.19 43.60 2pyj s LEU 513 CO -0.00 -0.62 -0.08 0.68 -1.32 0.00 0.00 176.35 175.01 2pyj s VAL 514 N 2.91 2.13 0.30 1.68 -7.23 -0.57 -4.95 120.40 114.67 2pyj s VAL 514 Ca 0.30 -2.18 -0.30 0.00 -1.81 0.00 0.00 61.98 58.00 2pyj s VAL 514 Cb -0.14 -2.66 -0.11 0.00 0.56 0.00 0.00 36.38 34.03 2pyj s VAL 514 CO 0.14 -0.19 1.60 -1.61 -0.31 0.00 0.00 175.10 174.72 2pyj s GLU 515 N -3.64 4.12 0.00 4.82 8.01 -1.26 -0.44 118.70 130.31 2pyj s GLU 515 Ca 0.32 2.59 0.00 0.00 0.01 0.00 0.00 54.97 57.89 2pyj s GLU 515 Cb 0.03 -3.02 0.00 0.00 -4.31 0.00 0.00 34.13 26.83 2pyj s GLU 515 CO 0.16 -0.64 0.00 0.41 0.01 0.00 0.00 175.26 175.20 2pyj n GLY 516 N 2.12 4.80 3.37 -1.39 0.00 0.08 -4.49 105.19 109.67 2pyj n GLY 516 Ca 0.08 -2.07 -0.20 0.00 0.00 0.00 0.00 46.02 43.83 2pyj n GLY 516 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pyj s SER 517 N -0.61 2.78 0.40 1.61 0.01 -0.25 -4.38 113.70 113.25 2pyj s SER 517 Ca 0.00 -1.02 0.14 0.00 1.31 0.00 0.00 55.95 56.38 2pyj s SER 517 Cb 0.00 -0.17 0.98 0.00 0.21 0.00 0.00 66.02 67.04 2pyj s SER 517 CO 0.00 -0.13 1.88 -0.65 0.41 0.00 0.00 173.24 174.76 2pyj h PRO 518 N 2.52 0.50 -0.00 12.44 0.11 -1.95 -1.48 132.00 144.14 2pyj h PRO 518 Ca -0.39 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2pyj h PRO 518 Cb 1.23 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2pyj h PRO 518 CO 0.61 0.33 -0.33 -0.25 -0.21 0.00 0.00 178.00 178.15 2pyj n ASP 519 N -4.52 0.49 -3.23 -2.05 9.92 -1.26 -4.68 116.55 111.22 2pyj n ASP 519 Ca 0.17 -0.25 -0.08 0.00 -0.53 0.00 0.00 54.79 54.09 2pyj n ASP 519 Cb 0.55 0.06 -0.04 0.00 -0.64 0.00 0.00 41.12 41.06 2pyj n ASP 519 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2pyj s ASP 520 N -2.87 -0.28 0.17 -2.24 2.15 -0.57 -5.14 116.67 107.89 2pyj s ASP 520 Ca 0.16 -1.35 -0.22 0.00 0.43 0.00 0.00 52.55 51.56 2pyj s ASP 520 Cb 0.18 1.26 0.06 0.00 -0.30 0.00 0.00 42.92 44.13 2pyj s ASP 520 CO 0.62 -0.19 0.60 -0.72 -0.17 0.00 0.00 175.17 175.31 2pyj s TYR 521 N 1.46 -0.49 0.00 -5.34 -0.85 -1.17 -1.09 117.35 109.86 2pyj s TYR 521 Ca 0.19 0.25 0.00 0.00 -0.52 0.00 0.00 57.07 56.99 2pyj s TYR 521 Cb -0.08 0.56 0.00 0.00 0.38 0.00 0.00 41.96 42.82 2pyj s TYR 521 CO -0.05 -0.87 0.00 0.25 -1.52 0.00 0.00 175.55 173.35 2pyj n THR 522 N -0.38 0.00 -4.57 -3.49 -2.24 0.47 -4.94 114.28 99.13 2pyj n THR 522 Ca -0.16 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.40 2pyj n THR 522 Cb 0.64 -0.55 -0.14 0.00 -2.10 0.00 0.00 70.33 68.18 2pyj n THR 522 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2pyj s ASP 523 N -2.41 1.77 -0.38 3.42 1.11 -0.22 -5.02 116.67 114.94 2pyj s ASP 523 Ca 0.00 -0.35 -0.12 0.00 0.18 0.00 0.00 52.55 52.26 2pyj s ASP 523 Cb 0.00 -0.16 0.02 0.00 1.07 0.00 0.00 42.92 43.84 2pyj s ASP 523 CO 0.00 0.13 0.23 -0.63 1.18 0.00 0.00 175.17 176.09 2pyj s ILE 524 N -0.55 4.86 -0.24 0.77 -1.09 -1.26 0.17 121.20 123.86 2pyj s ILE 524 Ca 0.04 -0.70 -0.11 0.00 -2.23 0.00 0.00 60.65 57.66 2pyj s ILE 524 Cb -0.07 -3.67 -0.05 0.00 -1.58 0.00 0.00 42.46 37.09 2pyj s ILE 524 CO 0.00 -0.21 0.17 -0.75 -1.23 0.00 0.00 174.94 172.92 2pyj s LYS 525 N 1.61 4.08 0.04 2.79 2.20 0.60 -4.81 119.74 126.25 2pyj s LYS 525 Ca 0.04 -0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 55.09 2pyj s LYS 525 Cb -0.19 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 2pyj s LYS 525 CO 0.08 0.06 1.01 0.12 -0.36 0.00 0.00 175.35 176.27 2pyj s PHE 526 N 1.05 3.66 -0.08 4.03 5.36 -1.26 -0.40 117.98 130.33 2pyj s PHE 526 Ca 0.08 1.66 0.01 0.00 -0.96 0.00 0.00 56.93 57.72 2pyj s PHE 526 Cb -0.13 -3.16 0.02 0.00 -0.34 0.00 0.00 43.02 39.41 2pyj s PHE 526 CO 0.04 -0.17 -0.10 0.45 -1.46 0.00 0.00 175.22 173.98 2pyj s SER 527 N 0.74 1.86 -0.23 6.13 0.15 0.63 -4.98 113.70 118.01 2pyj s SER 527 Ca 0.52 -0.29 -0.03 0.00 0.70 0.00 0.00 55.95 56.84 2pyj s SER 527 Cb -0.23 -0.81 0.00 0.00 -1.71 0.00 0.00 66.02 63.27 2pyj s SER 527 CO 0.29 -0.02 -0.05 -0.69 1.20 0.00 0.00 173.24 173.96 2pyj s VAL 528 N 1.01 3.19 -0.29 4.45 1.01 -1.26 -1.20 120.40 127.31 2pyj s VAL 528 Ca -0.08 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 2pyj s VAL 528 Cb -0.15 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.76 2pyj s VAL 528 CO -0.00 0.37 0.04 -0.54 0.00 0.00 0.00 175.10 174.96 2pyj s LYS 529 N 1.43 2.96 -0.29 2.72 -0.14 0.06 -5.03 119.74 121.46 2pyj s LYS 529 Ca 0.04 -0.93 0.02 0.00 -1.36 0.00 0.00 55.97 53.75 2pyj s LYS 529 Cb -0.15 -3.26 0.16 0.00 -1.68 0.00 0.00 37.83 32.90 2pyj s LYS 529 CO -0.04 -0.45 0.42 0.00 -0.76 0.00 0.00 175.35 174.52 2pyj n ALA 531 N 5.35 -0.26 0.00 0.00 0.00 -0.42 -1.07 120.51 124.11 2pyj n ALA 531 Ca 0.01 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2pyj n ALA 531 Cb 0.50 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.74 2pyj n ALA 531 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pyj n GLY 532 N 3.45 2.82 3.62 0.00 0.00 -1.26 -5.02 105.19 108.80 2pyj n GLY 532 Ca 0.22 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2pyj n GLY 532 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2pyj s MET 533 N 0.00 3.89 0.92 1.61 0.00 -0.23 -5.02 119.30 120.47 2pyj s MET 533 Ca 0.00 0.92 -0.13 0.00 0.00 0.00 0.00 55.69 56.48 2pyj s MET 533 Cb 0.00 -3.84 0.15 0.00 0.00 0.00 0.00 34.83 31.14 2pyj s MET 533 CO 0.00 -1.15 1.17 0.95 0.00 0.00 0.00 175.02 175.99 2pyj s THR 534 N 4.17 1.97 0.13 10.11 -4.23 -1.26 -4.82 115.64 121.70 2pyj s THR 534 Ca 0.49 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.82 2pyj s THR 534 Cb -0.11 -2.81 -0.03 0.00 1.34 0.00 0.00 72.50 70.89 2pyj s THR 534 CO 0.23 0.00 1.73 0.44 -0.54 0.00 0.00 174.62 176.48 2pyj h ASP 535 N -1.52 0.38 -0.30 3.99 3.45 -1.99 -2.80 116.42 117.62 2pyj h ASP 535 Ca -0.48 -0.09 -0.00 0.00 0.43 0.00 0.00 57.03 56.89 2pyj h ASP 535 Cb 1.32 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.97 2pyj h ASP 535 CO 0.58 0.36 0.18 0.11 -1.57 0.00 0.00 179.24 178.90 2pyj h LYS 536 N 0.38 0.43 0.00 3.56 1.57 -1.94 -1.65 116.57 118.92 2pyj h LYS 536 Ca 0.11 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.73 2pyj h LYS 536 Cb 0.06 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2pyj h LYS 536 CO -0.02 0.31 -0.59 0.82 -0.57 0.00 0.00 179.45 179.41 2pyj h ILE 537 N 0.44 1.20 0.00 1.86 2.04 -1.84 -3.06 117.51 118.15 2pyj h ILE 537 Ca 0.12 -2.18 -0.05 0.00 1.00 0.00 0.00 64.86 63.75 2pyj h ILE 537 Cb -0.00 2.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 2pyj h ILE 537 CO -0.02 0.57 -0.22 0.11 0.00 0.00 0.00 178.15 178.59 2pyj h LYS 538 N 0.00 0.00 0.00 2.37 1.57 -1.05 -2.70 116.57 116.76 2pyj h LYS 538 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2pyj h LYS 538 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 2pyj h LYS 538 CO 0.08 0.22 -0.03 0.87 -0.57 0.00 0.00 179.45 180.01 2pyj h LYS 539 N 0.00 0.00 -0.00 3.15 6.56 -1.42 -2.65 116.57 122.21 2pyj h LYS 539 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2pyj h LYS 539 Cb 0.47 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.13 2pyj h LYS 539 CO 0.03 0.03 -0.27 0.39 -2.06 0.00 0.00 179.45 177.57 2pyj n GLU 540 N -3.22 0.13 -2.85 3.15 -0.58 -1.02 -4.88 120.64 111.38 2pyj n GLU 540 Ca -0.01 -0.06 -0.40 0.00 -0.42 0.00 0.00 57.16 56.27 2pyj n GLU 540 Cb 0.21 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.53 2pyj n GLU 540 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2pyj s VAL 541 N -2.90 4.34 0.26 2.62 1.01 -1.00 -5.05 120.40 119.67 2pyj s VAL 541 Ca 0.15 1.91 0.04 0.00 0.00 0.00 0.00 61.98 64.08 2pyj s VAL 541 Cb 0.18 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 2pyj s VAL 541 CO 0.60 0.45 0.01 0.42 0.00 0.00 0.00 175.10 176.59 2pyj s THR 542 N -0.78 1.09 0.25 3.92 -4.23 -1.26 -5.06 115.64 109.56 2pyj s THR 542 Ca 0.40 -2.03 -0.06 0.00 -1.18 0.00 0.00 61.69 58.82 2pyj s THR 542 Cb -0.24 -2.49 0.25 0.00 1.34 0.00 0.00 72.50 71.36 2pyj s THR 542 CO 0.29 -0.22 1.92 -0.26 -0.54 0.00 0.00 174.62 175.81 2pyj h PHE 543 N 2.36 1.25 0.00 3.99 0.04 -1.97 -2.66 116.94 119.95 2pyj h PHE 543 Ca -0.39 0.02 -0.15 0.00 2.80 0.00 0.00 57.97 60.25 2pyj h PHE 543 Cb 1.23 -0.42 -0.02 0.00 2.20 0.00 0.00 35.95 38.94 2pyj h PHE 543 CO 0.58 0.80 -0.72 0.93 -0.60 0.00 0.00 178.31 179.30 2pyj h GLU 544 N 1.34 0.00 -0.02 1.51 3.07 -2.02 -3.26 114.58 115.21 2pyj h GLU 544 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 2pyj h GLU 544 Cb -0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.78 2pyj h GLU 544 CO -0.07 0.72 -0.28 0.27 -1.40 0.00 0.00 179.01 178.24 2pyj n ASN 545 N -3.57 1.84 -4.56 1.42 0.23 -1.18 -4.85 115.26 104.59 2pyj n ASN 545 Ca -0.00 -1.42 -0.38 0.00 -0.53 0.00 0.00 54.58 52.25 2pyj n ASN 545 Cb 0.73 0.25 -0.03 0.00 -2.08 0.00 0.00 39.78 38.64 2pyj n ASN 545 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 2pyj s PHE 546 N -2.35 2.33 0.15 -2.53 5.36 -1.01 -4.64 117.98 115.30 2pyj s PHE 546 Ca 0.24 -0.42 -0.09 0.00 -0.96 0.00 0.00 56.93 55.70 2pyj s PHE 546 Cb 0.19 -4.54 -0.01 0.00 -0.34 0.00 0.00 43.02 38.33 2pyj s PHE 546 CO 0.49 -1.92 0.27 0.15 -1.46 0.00 0.00 175.22 172.75 2pyj s LYS 547 N 5.53 1.12 0.02 10.12 1.02 -1.26 -5.01 119.74 131.28 2pyj s LYS 547 Ca 0.51 -1.14 -0.30 0.00 0.02 0.00 0.00 55.97 55.05 2pyj s LYS 547 Cb -0.02 0.37 -0.08 0.00 -0.52 0.00 0.00 37.83 37.58 2pyj s LYS 547 CO -0.05 -0.40 1.73 0.08 -0.92 0.00 0.00 175.35 175.79 2pyj s VAL 548 N -3.95 3.21 0.00 3.17 1.01 -1.26 -1.44 120.40 121.13 2pyj s VAL 548 Ca 0.16 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.58 2pyj s VAL 548 Cb 0.03 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.13 2pyj s VAL 548 CO -0.01 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.67 2pyj n GLY 549 N 4.18 0.60 3.75 4.51 0.00 -1.01 -5.07 105.19 112.14 2pyj n GLY 549 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2pyj n GLY 549 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2pyj s PHE 550 N -2.00 2.74 -0.30 1.61 5.36 -0.52 -4.94 117.98 119.93 2pyj s PHE 550 Ca 0.00 0.85 -0.12 0.00 -0.96 0.00 0.00 56.93 56.70 2pyj s PHE 550 Cb 0.00 -4.05 0.12 0.00 -0.34 0.00 0.00 43.02 38.75 2pyj s PHE 550 CO 0.00 -3.47 0.68 0.45 -1.46 0.00 0.00 175.22 171.42 2pyj s SER 551 N 0.40 -1.07 0.00 6.13 0.15 -1.26 -1.87 113.70 116.18 2pyj s SER 551 Ca 0.62 1.51 0.00 0.00 0.70 0.00 0.00 55.95 58.78 2pyj s SER 551 Cb -0.47 2.08 0.00 0.00 -1.71 0.00 0.00 66.02 65.91 2pyj s SER 551 CO 0.50 -0.22 0.00 0.54 1.20 0.00 0.00 173.24 175.26 2pyj n ARG 552 N 5.18 0.00 0.00 5.44 5.12 -1.10 -5.05 116.66 126.24 2pyj n ARG 552 Ca -0.14 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 2pyj n ARG 552 Cb 0.51 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.81 2pyj n ARG 552 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2pyj n LYS 553 N 0.00 0.00 -3.35 5.56 5.02 -1.26 -3.79 118.16 120.33 2pyj n LYS 553 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 2pyj n LYS 553 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 2pyj n LYS 553 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pyj s MET 554 N 2.86 4.18 -0.00 1.97 0.23 -1.23 -2.73 119.30 124.58 2pyj s MET 554 Ca 0.00 0.25 -0.18 0.00 -1.03 0.00 0.00 55.69 54.74 2pyj s MET 554 Cb 0.00 -3.54 0.03 0.00 -1.53 0.00 0.00 34.83 29.79 2pyj s MET 554 CO 0.00 -0.06 0.39 0.21 -2.03 0.00 0.00 175.02 173.53 2pyj s LYS 555 N 1.37 0.80 0.98 3.16 2.20 -1.26 -4.84 119.74 122.15 2pyj s LYS 555 Ca 0.20 -0.20 -0.16 0.00 -0.36 0.00 0.00 55.97 55.46 2pyj s LYS 555 Cb -0.15 0.36 0.19 0.00 -1.51 0.00 0.00 37.83 36.72 2pyj s LYS 555 CO 0.08 -0.24 1.24 -1.25 -0.36 0.00 0.00 175.35 174.82 2pyj s PRO 556 N -1.69 0.55 -0.29 4.03 0.04 -1.26 -2.06 135.00 134.32 2pyj s PRO 556 Ca -0.10 -0.18 -0.13 0.00 0.04 0.00 0.00 61.00 60.63 2pyj s PRO 556 Cb -0.03 -1.81 0.12 0.00 0.04 0.00 0.00 34.50 32.81 2pyj s PRO 556 CO 0.03 -2.51 0.70 0.21 0.04 0.00 0.00 177.00 175.47 2pyj s LYS 557 N -5.68 0.60 0.39 4.56 2.20 0.94 -4.69 119.74 118.06 2pyj s LYS 557 Ca 0.70 1.29 -0.26 0.00 -0.36 0.00 0.00 55.97 57.35 2pyj s LYS 557 Cb -0.07 0.56 -0.09 0.00 -1.51 0.00 0.00 37.83 36.72 2pyj s LYS 557 CO 0.53 -0.17 1.25 -1.25 -0.36 0.00 0.00 175.35 175.35 2pyj s PRO 558 N 2.36 4.06 0.08 4.03 0.04 -1.26 -3.12 135.00 141.19 2pyj s PRO 558 Ca -0.07 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.04 2pyj s PRO 558 Cb -0.09 -2.78 -0.03 0.00 0.04 0.00 0.00 34.50 31.64 2pyj s PRO 558 CO -0.19 -0.37 -0.09 0.14 0.04 0.00 0.00 177.00 176.52 2pyj s VAL 559 N -1.29 0.82 -0.31 -0.36 -7.23 -0.63 -4.97 120.40 106.43 2pyj s VAL 559 Ca 0.56 -1.51 -0.14 0.00 -1.81 0.00 0.00 61.98 59.07 2pyj s VAL 559 Cb -0.36 -1.19 -0.03 0.00 0.56 0.00 0.00 36.38 35.37 2pyj s VAL 559 CO 0.46 -0.53 0.32 -1.10 -0.31 0.00 0.00 175.10 173.94 2pyj s GLN 560 N -2.54 3.74 0.42 4.82 -1.52 -1.26 -1.93 119.66 121.39 2pyj s GLN 560 Ca 0.02 -0.30 0.04 0.00 -1.95 0.00 0.00 55.36 53.16 2pyj s GLN 560 Cb -0.04 -3.74 -0.02 0.00 -0.22 0.00 0.00 33.01 28.98 2pyj s GLN 560 CO -0.00 -0.39 0.11 0.14 -0.25 0.00 0.00 175.29 174.90 2pyj s VAL 561 N 1.96 0.68 -0.40 1.09 -7.23 -1.22 -4.85 120.40 110.42 2pyj s VAL 561 Ca 0.11 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.08 2pyj s VAL 561 Cb -0.16 -2.34 0.01 0.00 0.56 0.00 0.00 36.38 34.45 2pyj s VAL 561 CO 0.11 0.00 0.63 -2.16 -0.31 0.00 0.00 175.10 173.37 2pyj s PRO 562 N -3.73 3.43 -0.30 4.82 0.04 -1.26 -4.00 135.00 134.00 2pyj s PRO 562 Ca 0.22 -0.23 -0.07 0.00 0.04 0.00 0.00 61.00 60.97 2pyj s PRO 562 Cb 0.03 -3.89 0.17 0.00 0.04 0.00 0.00 34.50 30.84 2pyj s PRO 562 CO 0.13 -0.89 0.74 0.20 0.04 0.00 0.00 177.00 177.22 2pyj s GLY 563 N 1.92 -0.73 0.00 0.56 0.00 -1.18 -4.29 107.32 103.59 2pyj s GLY 563 Ca 0.23 2.26 0.00 0.00 0.00 0.00 0.00 44.72 47.21 2pyj s GLY 563 CO 0.17 3.39 0.00 0.61 0.00 0.00 0.00 173.10 177.27 2pyj n GLY 564 N 5.39 1.24 3.48 0.20 0.00 -1.26 -4.67 105.19 109.57 2pyj n GLY 564 Ca -0.05 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 2pyj n GLY 564 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2pyj n VAL 565 N 0.00 1.86 -3.69 1.61 0.24 -1.26 -3.43 118.33 113.66 2pyj n VAL 565 Ca 0.00 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.34 61.68 2pyj n VAL 565 Cb 0.00 -0.58 -0.07 0.00 -1.47 0.00 0.00 33.84 31.73 2pyj n VAL 565 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2pyj s VAL 566 N -1.29 0.06 -0.23 3.34 0.11 -0.81 -4.91 120.40 116.66 2pyj s VAL 566 Ca 0.62 -0.51 -0.13 0.00 -2.93 0.00 0.00 61.98 59.03 2pyj s VAL 566 Cb -0.68 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.19 2pyj s VAL 566 CO 0.58 -0.28 0.27 -0.76 -3.33 0.00 0.00 175.10 171.59 2pyj s LEU 567 N -2.00 4.12 0.34 2.54 1.43 -1.26 -1.60 118.68 122.25 2pyj s LEU 567 Ca -0.05 0.28 0.06 0.00 -1.03 0.00 0.00 54.13 53.38 2pyj s LEU 567 Cb -0.01 -2.30 -0.07 0.00 0.03 0.00 0.00 46.19 43.85 2pyj s LEU 567 CO -0.02 -0.02 0.01 0.68 0.23 0.00 0.00 176.35 177.23 2pyj s VAL 568 N 1.28 1.59 0.09 -1.59 -7.23 -1.18 -4.99 120.40 108.37 2pyj s VAL 568 Ca 0.13 -2.04 0.06 0.00 -1.81 0.00 0.00 61.98 58.31 2pyj s VAL 568 Cb -0.14 -2.77 -0.04 0.00 0.56 0.00 0.00 36.38 33.99 2pyj s VAL 568 CO 0.07 -0.08 -0.05 -1.81 -0.31 0.00 0.00 175.10 172.92 2pyj s ASP 569 N -3.55 4.73 0.00 4.85 1.01 -1.26 -0.04 116.67 122.41 2pyj s ASP 569 Ca 0.34 -0.26 0.00 0.00 0.71 0.00 0.00 52.55 53.34 2pyj s ASP 569 Cb 0.08 -1.04 0.00 0.00 1.01 0.00 0.00 42.92 42.97 2pyj s ASP 569 CO 0.16 0.18 0.00 -0.67 0.21 0.00 0.00 175.17 175.05 2pyj n ASP 570 N 0.68 0.00 -3.54 0.27 2.03 -0.87 -4.85 116.55 110.27 2pyj n ASP 570 Ca -0.12 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.03 2pyj n ASP 570 Cb 0.52 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.87 2pyj n ASP 570 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2pyj s THR 571 N 4.03 0.01 -0.02 5.18 2.01 -1.22 -3.49 115.64 122.13 2pyj s THR 571 Ca 0.00 -0.09 0.01 0.00 0.31 0.00 0.00 61.69 61.91 2pyj s THR 571 Cb 0.00 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.56 2pyj s THR 571 CO 0.00 -0.05 -0.02 0.12 -0.69 0.00 0.00 174.62 173.98 2pyj s PHE 572 N -1.82 0.33 -0.02 4.92 5.36 -1.11 -4.97 117.98 120.69 2pyj s PHE 572 Ca -0.08 -0.04 0.01 0.00 -0.96 0.00 0.00 56.93 55.86 2pyj s PHE 572 Cb -0.01 -0.34 0.01 0.00 -0.34 0.00 0.00 43.02 42.35 2pyj s PHE 572 CO 0.04 -0.08 -0.03 0.99 -1.46 0.00 0.00 175.22 174.68 2pyj s THR 573 N 0.56 0.29 -0.81 0.12 2.01 -1.26 -2.73 115.64 113.82 2pyj s THR 573 Ca -0.06 -0.07 -0.25 0.00 0.31 0.00 0.00 61.69 61.62 2pyj s THR 573 Cb -0.09 -0.31 0.04 0.00 0.01 0.00 0.00 72.50 72.16 2pyj s THR 573 CO -0.01 0.13 1.29 -0.63 -0.69 0.00 0.00 174.62 174.71 2pyj s ILE 574 N 0.43 3.85 -2.00 1.82 1.01 -0.78 -5.04 121.20 120.50 2pyj s ILE 574 Ca -0.04 -0.02 0.27 0.00 0.00 0.00 0.00 60.65 60.86 2pyj s ILE 574 Cb -0.08 -4.93 0.77 0.00 0.01 0.00 0.00 42.46 38.23 2pyj s ILE 574 CO -0.01 -1.84 1.97 0.29 0.00 0.00 0.00 174.94 175.35