#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gpk h GLU 5 N 0.00 0.00 -0.51 -1.46 4.81 -2.03 -1.76 114.58 113.63 1gpk h GLU 5 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1gpk h GLU 5 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1gpk h GLU 5 CO 0.00 0.07 0.00 1.28 -0.73 0.00 0.00 179.01 179.63 1gpk n LEU 6 N -3.60 2.76 -4.13 1.64 4.77 -1.26 -4.81 117.00 112.36 1gpk n LEU 6 Ca -0.02 -1.37 -0.33 0.00 -0.03 0.00 0.00 56.01 54.26 1gpk n LEU 6 Cb 0.18 -0.34 -0.16 0.00 -2.33 0.00 0.00 43.42 40.77 1gpk n LEU 6 CO 0.28 0.69 -0.53 -0.22 -1.33 0.00 0.00 177.39 176.27 1gpk s LEU 7 N -1.03 2.10 -0.06 2.23 2.96 -0.66 0.17 118.68 124.39 1gpk s LEU 7 Ca 0.35 -0.63 0.02 0.00 -0.22 0.00 0.00 54.13 53.65 1gpk s LEU 7 Cb 0.18 -1.45 0.01 0.00 0.50 0.00 0.00 46.19 45.43 1gpk s LEU 7 CO 0.24 0.02 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.50 1gpk s VAL 8 N 1.14 0.96 -0.35 1.68 1.01 -0.75 -4.72 120.40 119.38 1gpk s VAL 8 Ca 0.01 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 1gpk s VAL 8 Cb -0.14 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 1gpk s VAL 8 CO -0.09 0.31 0.31 0.21 0.00 0.00 0.00 175.10 175.84 1gpk s ASN 9 N 0.68 6.12 0.51 3.32 2.47 -1.26 -0.97 114.94 125.80 1gpk s ASN 9 Ca -0.13 -0.41 0.08 0.00 0.42 0.00 0.00 52.86 52.82 1gpk s ASN 9 Cb -0.15 -2.17 0.04 0.00 -1.45 0.00 0.00 41.25 37.52 1gpk s ASN 9 CO 0.03 -0.32 0.57 0.42 -3.72 0.00 0.00 177.10 174.08 1gpk s THR 10 N 1.86 2.27 -0.60 -5.21 -4.23 -0.15 -4.93 115.64 104.66 1gpk s THR 10 Ca 0.09 -1.19 0.20 0.00 -1.18 0.00 0.00 61.69 59.60 1gpk s THR 10 Cb -0.17 -2.46 0.20 0.00 1.34 0.00 0.00 72.50 71.41 1gpk s THR 10 CO 0.11 0.00 1.61 0.29 -0.54 0.00 0.00 174.62 176.09 1gpk n LYS 11 N -1.92 0.13 0.00 3.99 5.02 -1.26 -2.05 118.16 122.07 1gpk n LYS 11 Ca 0.08 0.41 0.09 0.00 -2.02 0.00 0.00 58.31 56.87 1gpk n LYS 11 Cb 0.62 -1.77 -0.07 0.00 -0.02 0.00 0.00 35.03 33.78 1gpk n LYS 11 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1gpk n SER 12 N -2.02 1.20 0.00 4.39 7.64 -1.26 -4.93 113.62 118.63 1gpk n SER 12 Ca 0.02 -1.10 0.00 0.00 1.01 0.00 0.00 58.87 58.80 1gpk n SER 12 Cb 0.18 0.83 0.00 0.00 -1.01 0.00 0.00 64.21 64.21 1gpk n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gpk n GLY 13 N 1.40 1.72 3.82 0.23 0.00 -0.87 -1.27 105.19 110.22 1gpk n GLY 13 Ca 0.05 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 1gpk n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gpk s LYS 14 N -1.31 4.20 -0.00 1.61 1.02 -1.25 -0.97 119.74 123.03 1gpk s LYS 14 Ca 0.00 0.87 0.03 0.00 0.02 0.00 0.00 55.97 56.89 1gpk s LYS 14 Cb 0.00 -2.66 -0.01 0.00 -0.52 0.00 0.00 37.83 34.64 1gpk s LYS 14 CO 0.00 0.27 -0.10 0.14 -0.92 0.00 0.00 175.35 174.73 1gpk s VAL 15 N -1.74 0.81 -0.21 3.17 -7.23 -0.14 -0.58 120.40 114.48 1gpk s VAL 15 Ca 0.49 -0.48 -0.03 0.00 -1.81 0.00 0.00 61.98 60.15 1gpk s VAL 15 Cb -0.14 -0.69 0.00 0.00 0.56 0.00 0.00 36.38 36.11 1gpk s VAL 15 CO 0.19 0.20 -0.08 -0.32 -0.31 0.00 0.00 175.10 174.78 1gpk s MET 16 N -0.33 3.24 0.00 4.82 1.75 0.89 -1.80 119.30 127.87 1gpk s MET 16 Ca 0.03 -0.70 0.00 0.00 -1.25 0.00 0.00 55.69 53.77 1gpk s MET 16 Cb -0.04 -2.90 0.00 0.00 2.84 0.00 0.00 34.83 34.72 1gpk s MET 16 CO -0.00 -0.22 0.00 0.41 -0.65 0.00 0.00 175.02 174.56 1gpk n GLY 17 N 4.75 0.59 3.11 2.11 0.00 0.13 -0.28 105.19 115.59 1gpk n GLY 17 Ca -0.19 -1.86 -0.11 0.00 0.00 0.00 0.00 46.02 43.86 1gpk n GLY 17 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1gpk s THR 18 N 0.82 0.07 -0.08 2.61 -1.32 -0.01 -4.69 115.64 113.04 1gpk s THR 18 Ca 0.00 -0.60 -0.23 0.00 -1.21 0.00 0.00 61.69 59.65 1gpk s THR 18 Cb 0.00 -0.43 -0.03 0.00 -1.51 0.00 0.00 72.50 70.53 1gpk s THR 18 CO 0.00 -0.33 0.69 -0.60 -2.21 0.00 0.00 174.62 172.17 1gpk s ARG 19 N -1.21 4.41 -0.02 7.08 3.52 -1.26 -0.97 118.95 130.49 1gpk s ARG 19 Ca -0.13 0.85 0.07 0.00 -0.13 0.00 0.00 55.73 56.39 1gpk s ARG 19 Cb -0.07 -3.46 -0.02 0.00 -1.56 0.00 0.00 34.95 29.84 1gpk s ARG 19 CO 0.02 0.02 -0.23 0.14 -0.81 0.00 0.00 175.30 174.44 1gpk s VAL 20 N 0.95 1.85 0.53 7.11 -7.23 -0.06 -4.96 120.40 118.58 1gpk s VAL 20 Ca 0.36 -1.00 -0.18 0.00 -1.81 0.00 0.00 61.98 59.35 1gpk s VAL 20 Cb -0.17 -1.53 -0.07 0.00 0.56 0.00 0.00 36.38 35.17 1gpk s VAL 20 CO 0.17 0.52 1.03 -2.16 -0.31 0.00 0.00 175.10 174.35 1gpk s PRO 21 N -0.56 3.66 -0.30 4.82 0.04 -1.26 -1.66 135.00 139.75 1gpk s PRO 21 Ca 0.09 1.22 -0.12 0.00 0.04 0.00 0.00 61.00 62.23 1gpk s PRO 21 Cb -0.09 -2.08 0.16 0.00 0.04 0.00 0.00 34.50 32.52 1gpk s PRO 21 CO -0.01 -0.53 0.85 0.54 0.04 0.00 0.00 177.00 177.89 1gpk s VAL 22 N -2.28 -0.69 -1.37 -0.36 0.11 0.00 -4.90 120.40 110.91 1gpk s VAL 22 Ca 0.64 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.65 1gpk s VAL 22 Cb -0.15 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.70 1gpk s VAL 22 CO 0.28 0.00 0.45 0.18 -3.33 0.00 0.00 175.10 172.68 1gpk n LEU 23 N 5.20 -2.17 -0.17 2.54 4.77 -1.26 -0.88 117.00 125.03 1gpk n LEU 23 Ca -0.09 -1.03 -0.02 0.00 -0.03 0.00 0.00 56.01 54.83 1gpk n LEU 23 Cb 0.51 -2.19 -0.01 0.00 -2.33 0.00 0.00 43.42 39.40 1gpk n LEU 23 CO -0.04 0.45 -0.02 -1.54 -1.33 0.00 0.00 177.39 174.91 1gpk n SER 24 N -2.91 -4.27 0.00 -1.43 3.41 -1.26 -4.96 113.62 102.20 1gpk n SER 24 Ca -0.28 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 1gpk n SER 24 Cb 0.67 -1.97 0.00 0.00 -0.26 0.00 0.00 64.21 62.66 1gpk n SER 24 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1gpk n SER 25 N -0.21 0.42 -3.75 4.04 2.88 -0.06 -5.18 113.62 111.76 1gpk n SER 25 Ca -0.02 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.41 1gpk n SER 25 Cb 0.24 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.63 1gpk n SER 25 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1gpk s HIS 26 N -0.48 -0.06 0.29 0.66 3.76 -1.26 -0.82 115.29 117.39 1gpk s HIS 26 Ca 0.00 -0.21 -0.09 0.00 -0.15 0.00 0.00 55.06 54.60 1gpk s HIS 26 Cb 0.00 0.09 0.00 0.00 1.11 0.00 0.00 32.58 33.79 1gpk s HIS 26 CO 0.00 -0.57 0.50 0.96 -0.85 0.00 0.00 174.74 174.78 1gpk s ILE 27 N -3.26 0.00 0.02 0.60 -4.36 -0.66 -4.43 121.20 109.11 1gpk s ILE 27 Ca -0.00 -1.45 -0.07 0.00 -0.26 0.00 0.00 60.65 58.87 1gpk s ILE 27 Cb 0.02 -2.43 -0.05 0.00 1.25 0.00 0.00 42.46 41.24 1gpk s ILE 27 CO -0.08 0.00 0.30 -0.44 0.24 0.00 0.00 174.94 174.96 1gpk s SER 28 N -3.10 6.53 -0.05 4.36 0.01 -0.26 -0.88 113.70 120.31 1gpk s SER 28 Ca 0.25 0.61 0.00 0.00 1.31 0.00 0.00 55.95 58.12 1gpk s SER 28 Cb -0.01 -2.11 0.02 0.00 0.21 0.00 0.00 66.02 64.14 1gpk s SER 28 CO 0.13 0.24 -0.02 0.00 0.41 0.00 0.00 173.24 174.00 1gpk s ALA 29 N -1.32 0.58 -0.50 1.44 0.00 -0.14 -0.36 121.76 121.45 1gpk s ALA 29 Ca 0.29 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.25 1gpk s ALA 29 Cb -0.13 -0.46 0.13 0.00 0.00 0.00 0.00 23.12 22.66 1gpk s ALA 29 CO 0.16 -0.12 0.26 -0.06 0.00 0.00 0.00 175.76 176.00 1gpk s PHE 30 N 1.16 3.40 0.06 0.00 0.40 0.37 -0.83 117.98 122.53 1gpk s PHE 30 Ca -0.07 -2.95 -0.06 0.00 -0.60 0.00 0.00 56.93 53.24 1gpk s PHE 30 Cb -0.14 -2.98 -0.05 0.00 0.51 0.00 0.00 43.02 40.36 1gpk s PHE 30 CO -0.01 -0.83 0.32 -0.51 0.70 0.00 0.00 175.22 174.88 1gpk s LEU 31 N 0.14 4.34 -0.85 -0.37 1.43 -0.29 -1.25 118.68 121.83 1gpk s LEU 31 Ca 0.15 0.60 -0.03 0.00 -1.03 0.00 0.00 54.13 53.81 1gpk s LEU 31 Cb -0.23 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.08 1gpk s LEU 31 CO -0.03 0.18 0.40 0.61 0.23 0.00 0.00 176.35 177.74 1gpk n GLY 32 N 0.76 0.03 3.66 -3.19 0.00 -1.12 -4.02 105.19 101.30 1gpk n GLY 32 Ca -0.08 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1gpk n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gpk s ILE 33 N -2.94 4.78 0.23 -0.61 1.01 -0.02 -4.78 121.20 118.86 1gpk s ILE 33 Ca 0.20 1.83 -0.30 0.00 0.00 0.00 0.00 60.65 62.39 1gpk s ILE 33 Cb -0.09 -4.23 -0.09 0.00 0.01 0.00 0.00 42.46 38.07 1gpk s ILE 33 CO 0.25 -0.08 1.16 -2.16 0.00 0.00 0.00 174.94 174.10 1gpk s PRO 34 N 2.68 4.55 0.00 2.79 0.04 -1.26 0.05 135.00 143.84 1gpk s PRO 34 Ca 0.41 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1gpk s PRO 34 Cb -0.16 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1gpk s PRO 34 CO 0.10 0.04 0.53 1.97 0.04 0.00 0.00 177.00 179.68 1gpk n PHE 35 N 1.88 0.00 -3.60 0.56 1.16 -1.14 -4.89 117.46 111.43 1gpk n PHE 35 Ca 0.02 -0.09 -0.11 0.00 -1.87 0.00 0.00 57.45 55.40 1gpk n PHE 35 Cb 0.45 -0.01 -0.04 0.00 -1.61 0.00 0.00 39.48 38.26 1gpk n PHE 35 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1gpk s ALA 36 N -0.18 -1.07 0.33 1.98 0.00 -1.26 -3.48 121.76 118.09 1gpk s ALA 36 Ca 0.00 0.11 -0.28 0.00 0.00 0.00 0.00 51.96 51.80 1gpk s ALA 36 Cb 0.00 0.67 -0.09 0.00 0.00 0.00 0.00 23.12 23.70 1gpk s ALA 36 CO 0.00 -0.64 1.16 -1.21 0.00 0.00 0.00 175.76 175.08 1gpk s GLU 37 N -3.58 4.37 -0.11 0.00 0.41 0.89 -4.46 118.70 116.22 1gpk s GLU 37 Ca 0.01 1.89 -0.36 0.00 -0.41 0.00 0.00 54.97 56.10 1gpk s GLU 37 Cb 0.01 -2.97 -0.14 0.00 -1.78 0.00 0.00 34.13 29.25 1gpk s GLU 37 CO -0.11 -0.06 1.76 -2.30 -0.49 0.00 0.00 175.26 174.07 1gpk n PRO 38 N 0.69 1.75 -0.98 0.39 -0.02 -1.26 -4.61 135.00 130.96 1gpk n PRO 38 Ca 0.01 0.64 -0.16 0.00 -2.02 0.00 0.00 63.50 61.97 1gpk n PRO 38 Cb 0.45 -2.41 -0.13 0.00 -0.02 0.00 0.00 33.50 31.39 1gpk n PRO 38 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1gpk n PRO 39 N 5.56 2.16 -3.78 0.52 -0.04 -1.26 -4.89 135.00 133.26 1gpk n PRO 39 Ca 0.23 -1.15 -0.20 0.00 -0.04 0.00 0.00 63.50 62.33 1gpk n PRO 39 Cb 0.23 -2.12 -0.02 0.00 -0.04 0.00 0.00 33.50 31.55 1gpk n PRO 39 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1gpk s VAL 40 N 1.41 4.51 0.00 0.52 -7.23 -1.26 -3.42 120.40 114.94 1gpk s VAL 40 Ca 0.62 -1.09 0.00 0.00 -1.81 0.00 0.00 61.98 59.70 1gpk s VAL 40 Cb 0.27 -3.56 0.00 0.00 0.56 0.00 0.00 36.38 33.65 1gpk s VAL 40 CO -0.01 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.14 1gpk n GLY 41 N -1.46 3.22 0.00 2.32 0.00 -1.26 -2.04 105.19 105.97 1gpk n GLY 41 Ca -0.05 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 45.89 1gpk n GLY 41 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1gpk n ASN 42 N 6.83 0.00 0.02 1.61 0.23 -1.26 -1.86 115.26 120.83 1gpk n ASN 42 Ca 0.00 0.06 0.12 0.00 -0.53 0.00 0.00 54.58 54.23 1gpk n ASN 42 Cb 0.00 -0.26 0.12 0.00 -2.08 0.00 0.00 39.78 37.56 1gpk n ASN 42 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1gpk n MET 43 N -1.26 0.14 -1.69 -3.83 0.00 -0.86 -4.82 117.12 104.79 1gpk n MET 43 Ca 0.06 0.01 -0.44 0.00 0.00 0.00 0.00 57.70 57.33 1gpk n MET 43 Cb 0.10 -1.56 -0.03 0.00 0.00 0.00 0.00 33.22 31.73 1gpk n MET 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1gpk n ARG 44 N -1.74 2.33 0.00 0.03 0.63 -0.78 -0.74 116.66 116.38 1gpk n ARG 44 Ca 0.04 0.83 0.00 0.00 -0.92 0.00 0.00 57.85 57.80 1gpk n ARG 44 Cb 0.38 -2.59 0.00 0.00 0.45 0.00 0.00 32.46 30.71 1gpk n ARG 44 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1gpk n PHE 45 N 2.83 0.00 -1.85 -0.14 3.72 -1.26 -4.91 117.46 115.86 1gpk n PHE 45 Ca 0.14 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.23 1gpk n PHE 45 Cb 0.32 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.88 1gpk n PHE 45 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1gpk s ARG 46 N -0.09 3.37 0.58 -1.08 0.52 0.08 -4.21 118.95 118.11 1gpk s ARG 46 Ca 0.00 0.69 -0.20 0.00 -0.52 0.00 0.00 55.73 55.70 1gpk s ARG 46 Cb 0.00 -2.06 -0.04 0.00 0.52 0.00 0.00 34.95 33.37 1gpk s ARG 46 CO 0.00 -0.72 1.29 1.03 0.02 0.00 0.00 175.30 176.92 1gpk s ARG 47 N -5.21 3.00 0.66 3.54 0.52 -1.26 -4.90 118.95 115.30 1gpk s ARG 47 Ca 0.56 2.06 -0.14 0.00 -0.52 0.00 0.00 55.73 57.69 1gpk s ARG 47 Cb -0.11 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.27 1gpk s ARG 47 CO 0.54 -1.25 1.09 -1.25 0.02 0.00 0.00 175.30 174.45 1gpk s PRO 48 N -3.11 2.85 0.01 3.54 0.04 -1.26 -5.06 135.00 132.01 1gpk s PRO 48 Ca 0.75 1.27 0.06 0.00 0.04 0.00 0.00 61.00 63.13 1gpk s PRO 48 Cb -0.36 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 1gpk s PRO 48 CO 0.41 -1.20 -0.17 -1.21 0.04 0.00 0.00 177.00 174.87 1gpk s GLU 49 N -4.30 2.22 0.51 4.56 0.41 -1.26 -5.02 118.70 115.81 1gpk s GLU 49 Ca 0.64 -0.88 -0.23 0.00 -0.41 0.00 0.00 54.97 54.09 1gpk s GLU 49 Cb -0.18 -2.24 -0.06 0.00 -1.78 0.00 0.00 34.13 29.87 1gpk s GLU 49 CO 0.44 0.57 1.36 -1.25 -0.49 0.00 0.00 175.26 175.89 1gpk s PRO 50 N -1.15 3.35 0.20 0.39 0.04 -1.26 -0.08 135.00 136.50 1gpk s PRO 50 Ca 0.13 2.25 -0.30 0.00 0.04 0.00 0.00 61.00 63.12 1gpk s PRO 50 Cb -0.10 -2.39 -0.09 0.00 0.04 0.00 0.00 34.50 31.95 1gpk s PRO 50 CO 0.03 -1.03 1.43 0.21 0.04 0.00 0.00 177.00 177.69 1gpk s LYS 51 N -2.75 4.29 0.12 4.56 2.47 -1.23 -3.99 119.74 123.22 1gpk s LYS 51 Ca 0.68 2.23 -0.30 0.00 -1.56 0.00 0.00 55.97 57.01 1gpk s LYS 51 Cb -0.40 -3.16 -0.07 0.00 -1.46 0.00 0.00 37.83 32.74 1gpk s LYS 51 CO 0.49 -0.42 1.23 0.15 0.16 0.00 0.00 175.35 176.96 1gpk s LYS 52 N 0.17 4.44 0.58 4.03 1.02 -1.26 -4.92 119.74 123.80 1gpk s LYS 52 Ca 0.61 1.86 -0.18 0.00 0.02 0.00 0.00 55.97 58.29 1gpk s LYS 52 Cb -0.40 -3.28 -0.07 0.00 -0.52 0.00 0.00 37.83 33.56 1gpk s LYS 52 CO 0.38 -0.21 0.74 -2.30 -0.92 0.00 0.00 175.35 173.04 1gpk n PRO 53 N 3.30 0.69 -4.36 -1.68 -0.02 -1.26 -5.01 135.00 126.66 1gpk n PRO 53 Ca 0.07 0.27 -0.24 0.00 -2.02 0.00 0.00 63.50 61.58 1gpk n PRO 53 Cb 0.45 -1.92 -0.12 0.00 -0.02 0.00 0.00 33.50 31.89 1gpk n PRO 53 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1gpk s TRP 54 N -1.62 2.01 0.40 6.00 -2.14 -0.40 -5.02 118.94 118.17 1gpk s TRP 54 Ca 0.72 -0.42 0.01 0.00 2.66 0.00 0.00 56.10 59.08 1gpk s TRP 54 Cb -0.43 -1.01 -0.01 0.00 -3.10 0.00 0.00 33.47 28.91 1gpk s TRP 54 CO 0.51 0.38 0.60 -1.12 -2.66 0.00 0.00 176.95 174.65 1gpk s SER 55 N -2.57 6.01 0.00 -2.66 0.01 -1.26 -4.48 113.70 108.74 1gpk s SER 55 Ca 0.17 0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.69 1gpk s SER 55 Cb -0.07 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 64.51 1gpk s SER 55 CO 0.08 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 173.81 1gpk n GLY 56 N -1.91 -1.85 3.39 3.44 0.00 -1.26 -4.84 105.19 102.16 1gpk n GLY 56 Ca -0.01 -1.39 -0.34 0.00 0.00 0.00 0.00 46.02 44.28 1gpk n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gpk s VAL 57 N 0.00 3.39 -0.09 1.61 1.01 -1.26 -3.89 120.40 121.17 1gpk s VAL 57 Ca 0.00 -0.52 -0.27 0.00 0.00 0.00 0.00 61.98 61.19 1gpk s VAL 57 Cb 0.00 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 1gpk s VAL 57 CO 0.00 0.49 0.86 0.86 0.00 0.00 0.00 175.10 177.31 1gpk s TRP 58 N 0.66 3.54 -0.53 5.22 -0.11 0.26 -4.88 118.94 123.09 1gpk s TRP 58 Ca -0.04 1.42 -0.28 0.00 1.22 0.00 0.00 56.10 58.41 1gpk s TRP 58 Cb -0.15 -3.01 0.02 0.00 -1.50 0.00 0.00 33.47 28.82 1gpk s TRP 58 CO 0.02 -0.09 1.36 1.21 -4.62 0.00 0.00 176.95 174.83 1gpk s ASN 59 N 1.01 6.25 -0.56 5.86 2.47 -1.26 -0.08 114.94 128.64 1gpk s ASN 59 Ca 0.43 0.39 0.03 0.00 0.42 0.00 0.00 52.86 54.13 1gpk s ASN 59 Cb -0.18 -2.55 0.40 0.00 -1.45 0.00 0.00 41.25 37.47 1gpk s ASN 59 CO 0.19 -1.59 1.41 0.00 -3.72 0.00 0.00 177.10 173.39 1gpk n ALA 60 N 9.13 5.54 0.63 1.71 0.00 0.61 -4.67 120.51 133.45 1gpk n ALA 60 Ca 0.13 -4.23 0.09 0.00 0.00 0.00 0.00 53.44 49.44 1gpk n ALA 60 Cb 0.49 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.82 1gpk n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1gpk n SER 61 N -0.52 0.76 -4.16 0.00 3.41 -1.24 -1.14 113.62 110.73 1gpk n SER 61 Ca 0.44 -0.66 -0.15 0.00 -0.26 0.00 0.00 58.87 58.24 1gpk n SER 61 Cb 0.54 1.29 -0.11 0.00 -0.26 0.00 0.00 64.21 65.67 1gpk n SER 61 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1gpk s THR 62 N -3.02 0.92 0.66 6.66 -4.23 -1.26 -4.84 115.64 110.53 1gpk s THR 62 Ca 0.03 -1.48 -0.18 0.00 -1.18 0.00 0.00 61.69 58.88 1gpk s THR 62 Cb 0.14 -1.18 -0.01 0.00 1.34 0.00 0.00 72.50 72.79 1gpk s THR 62 CO 0.81 -0.45 1.19 -1.22 -0.54 0.00 0.00 174.62 174.41 1gpk n TYR 63 N 0.86 1.55 -2.35 3.99 4.01 -1.26 -3.71 117.16 120.26 1gpk n TYR 63 Ca -0.18 0.42 -0.26 0.00 -0.16 0.00 0.00 57.90 57.71 1gpk n TYR 63 Cb 0.56 -2.21 0.15 0.00 -0.31 0.00 0.00 39.34 37.53 1gpk n TYR 63 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1gpk s PRO 64 N -3.30 1.08 0.86 -0.72 0.04 -1.26 -4.86 135.00 126.84 1gpk s PRO 64 Ca 0.80 -0.95 -0.11 0.00 0.04 0.00 0.00 61.00 60.78 1gpk s PRO 64 Cb -0.38 -2.13 0.11 0.00 0.04 0.00 0.00 34.50 32.15 1gpk s PRO 64 CO 0.43 -1.96 1.09 -0.80 0.04 0.00 0.00 177.00 175.80 1gpk s ASN 65 N -4.86 3.77 0.15 6.66 0.01 -1.26 -4.84 114.94 114.57 1gpk s ASN 65 Ca 0.71 1.48 0.04 0.00 -0.71 0.00 0.00 52.86 54.38 1gpk s ASN 65 Cb -0.03 -2.18 -0.04 0.00 0.41 0.00 0.00 41.25 39.41 1gpk s ASN 65 CO 0.49 -2.45 0.19 0.20 -1.51 0.00 0.00 177.10 174.02 1gpk s ASN 66 N -3.51 5.88 0.71 -1.22 0.02 -0.46 -4.79 114.94 111.56 1gpk s ASN 66 Ca 0.63 0.02 -0.13 0.00 -1.02 0.00 0.00 52.86 52.35 1gpk s ASN 66 Cb -0.17 -1.65 0.03 0.00 0.02 0.00 0.00 41.25 39.47 1gpk s ASN 66 CO 0.56 0.08 1.12 0.00 0.02 0.00 0.00 177.10 178.88 1gpk s GLN 68 N -4.33 4.18 0.20 0.00 -1.52 -1.24 -4.56 119.66 112.41 1gpk s GLN 68 Ca 0.66 2.45 -0.22 0.00 -1.95 0.00 0.00 55.36 56.30 1gpk s GLN 68 Cb -0.21 -3.24 0.05 0.00 -0.22 0.00 0.00 33.01 29.39 1gpk s GLN 68 CO 0.47 -0.69 0.63 1.14 -0.25 0.00 0.00 175.29 176.59 1gpk s GLN 69 N 1.54 1.47 0.32 2.91 -2.07 -1.26 -4.65 119.66 117.91 1gpk s GLN 69 Ca 0.73 -0.69 -0.29 0.00 -1.82 0.00 0.00 55.36 53.29 1gpk s GLN 69 Cb -0.45 0.59 -0.11 0.00 -1.09 0.00 0.00 33.01 31.95 1gpk s GLN 69 CO 0.32 -0.65 1.45 -0.47 -1.32 0.00 0.00 175.29 174.62 1gpk s TYR 70 N -3.82 2.83 -0.18 9.60 5.04 -1.26 -4.99 117.35 124.57 1gpk s TYR 70 Ca 0.05 1.13 -0.03 0.00 -2.44 0.00 0.00 57.07 55.78 1gpk s TYR 70 Cb -0.03 -3.90 -0.02 0.00 0.35 0.00 0.00 41.96 38.36 1gpk s TYR 70 CO -0.05 -2.75 -0.05 0.08 -1.34 0.00 0.00 175.55 171.44 1gpk s VAL 71 N -0.68 3.55 -0.32 3.14 1.01 -1.26 -4.92 120.40 120.92 1gpk s VAL 71 Ca 0.55 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 1gpk s VAL 71 Cb -0.44 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 1gpk s VAL 71 CO 0.54 0.47 1.57 -0.62 0.00 0.00 0.00 175.10 177.05 1gpk s ASP 72 N 0.83 6.26 -0.15 3.32 2.15 -1.26 -4.86 116.67 122.96 1gpk s ASP 72 Ca -0.02 1.25 0.17 0.00 0.43 0.00 0.00 52.55 54.39 1gpk s ASP 72 Cb -0.15 -2.53 0.33 0.00 -0.30 0.00 0.00 42.92 40.27 1gpk s ASP 72 CO 0.01 -1.42 1.18 -0.62 -0.17 0.00 0.00 175.17 174.15 1gpk n GLU 73 N 7.97 1.43 0.24 4.34 1.02 -1.26 -4.73 120.64 129.64 1gpk n GLU 73 Ca 0.19 -2.72 0.08 0.00 -0.02 0.00 0.00 57.16 54.68 1gpk n GLU 73 Cb 0.47 -1.54 0.58 0.00 -0.02 0.00 0.00 31.44 30.92 1gpk n GLU 73 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1gpk h GLN 74 N 0.27 0.00 -2.10 3.49 5.75 -2.00 -3.32 115.11 117.20 1gpk h GLN 74 Ca 0.00 0.00 -0.57 0.00 -0.15 0.00 0.00 58.65 57.93 1gpk h GLN 74 Cb 1.03 0.00 -0.39 0.00 1.07 0.00 0.00 27.48 29.19 1gpk h GLN 74 CO 0.02 0.17 -1.05 1.19 -2.65 0.00 0.00 178.83 176.51 1gpk n PHE 75 N -4.07 -0.27 -1.62 3.99 3.72 -1.26 -5.11 117.46 112.84 1gpk n PHE 75 Ca -0.02 -3.54 -0.50 0.00 -0.05 0.00 0.00 57.45 53.34 1gpk n PHE 75 Cb 0.25 -0.23 -0.05 0.00 -0.94 0.00 0.00 39.48 38.50 1gpk n PHE 75 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1gpk n PRO 76 N 1.69 1.51 0.00 -1.08 -0.02 -1.25 -0.90 135.00 134.95 1gpk n PRO 76 Ca 0.23 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1gpk n PRO 76 Cb 0.51 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1gpk n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gpk n GLY 77 N 2.82 2.50 3.64 -1.23 0.00 -1.26 -5.01 105.19 106.65 1gpk n GLY 77 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1gpk n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1gpk s PHE 78 N -2.37 3.30 0.34 1.61 5.36 -0.08 -4.95 117.98 121.20 1gpk s PHE 78 Ca 0.00 1.20 0.06 0.00 -0.96 0.00 0.00 56.93 57.23 1gpk s PHE 78 Cb 0.00 -3.14 0.62 0.00 -0.34 0.00 0.00 43.02 40.16 1gpk s PHE 78 CO 0.00 -0.45 1.85 0.66 -1.46 0.00 0.00 175.22 175.82 1gpk h SER 79 N 7.67 0.37 -0.93 6.13 4.64 -1.95 -2.00 113.55 127.49 1gpk h SER 79 Ca -0.22 -0.09 0.18 0.00 -0.47 0.00 0.00 61.79 61.20 1gpk h SER 79 Cb 1.08 -0.10 -0.08 0.00 -0.31 0.00 0.00 62.40 63.00 1gpk h SER 79 CO 0.91 0.53 0.60 1.23 -0.87 0.00 0.00 176.83 179.23 1gpk h GLY 80 N 0.87 1.19 0.00 -0.77 0.00 -1.94 -1.22 103.07 101.20 1gpk h GLY 80 Ca 0.07 -0.26 -0.38 0.00 0.00 0.00 0.00 47.33 46.76 1gpk h GLY 80 CO 0.03 0.01 -2.43 -1.14 0.00 0.00 0.00 176.54 173.01 1gpk n SER 81 N -4.59 1.29 0.27 0.19 3.41 -1.17 -4.48 113.62 108.53 1gpk n SER 81 Ca 0.20 -0.09 0.16 0.00 -0.26 0.00 0.00 58.87 58.88 1gpk n SER 81 Cb 0.61 0.12 0.63 0.00 -0.26 0.00 0.00 64.21 65.30 1gpk n SER 81 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1gpk h GLU 82 N 0.00 0.00 0.00 4.33 5.08 -1.19 -2.65 114.58 120.15 1gpk h GLU 82 Ca -0.56 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1gpk h GLU 82 Cb 2.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.27 1gpk h GLU 82 CO -0.04 0.05 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1gpk n MET 83 N -3.17 0.13 -0.01 2.33 0.00 -0.47 -1.93 117.12 114.01 1gpk n MET 83 Ca 0.00 0.20 0.09 0.00 0.00 0.00 0.00 57.70 57.99 1gpk n MET 83 Cb 0.33 -1.50 -0.13 0.00 0.00 0.00 0.00 33.22 31.93 1gpk n MET 83 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 1gpk n TRP 84 N -1.35 0.00 -1.45 3.17 7.02 -1.00 -4.67 117.44 119.16 1gpk n TRP 84 Ca 0.05 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.23 1gpk n TRP 84 Cb 0.12 -0.26 0.08 0.00 -2.42 0.00 0.00 31.31 28.83 1gpk n TRP 84 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1gpk s ASN 85 N -3.56 4.84 0.28 -0.99 0.01 -0.81 -4.76 114.94 109.95 1gpk s ASN 85 Ca -0.02 1.61 -0.30 0.00 -0.71 0.00 0.00 52.86 53.44 1gpk s ASN 85 Cb 0.12 -2.40 -0.12 0.00 0.41 0.00 0.00 41.25 39.26 1gpk s ASN 85 CO 0.74 -1.79 1.51 -2.65 -1.51 0.00 0.00 177.10 173.41 1gpk n PRO 86 N -3.35 2.45 -0.23 -0.60 -0.02 -1.26 -4.89 135.00 127.10 1gpk n PRO 86 Ca 0.08 0.87 0.06 0.00 -2.02 0.00 0.00 63.50 62.49 1gpk n PRO 86 Cb 0.54 -2.60 0.16 0.00 -0.02 0.00 0.00 33.50 31.59 1gpk n PRO 86 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1gpk n ASN 87 N 2.01 3.05 -4.15 2.55 6.94 -1.26 -4.97 115.26 119.43 1gpk n ASN 87 Ca 0.09 -2.46 -0.10 0.00 -0.02 0.00 0.00 54.58 52.09 1gpk n ASN 87 Cb 0.35 -0.32 -0.10 0.00 -2.36 0.00 0.00 39.78 37.35 1gpk n ASN 87 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1gpk s ARG 88 N -1.82 0.78 0.43 -3.83 1.81 -1.26 -5.10 118.95 109.96 1gpk s ARG 88 Ca 0.27 -1.29 -0.25 0.00 -1.72 0.00 0.00 55.73 52.74 1gpk s ARG 88 Cb 0.19 -0.13 -0.10 0.00 -0.45 0.00 0.00 34.95 34.47 1gpk s ARG 88 CO 0.10 -0.03 1.20 -0.85 -0.68 0.00 0.00 175.30 175.04 1gpk n GLU 89 N 0.04 1.74 -3.31 3.54 0.28 -1.26 -4.41 120.64 117.27 1gpk n GLU 89 Ca -0.13 0.62 -0.32 0.00 -0.16 0.00 0.00 57.16 57.18 1gpk n GLU 89 Cb 0.61 -2.30 -0.05 0.00 1.43 0.00 0.00 31.44 31.12 1gpk n GLU 89 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 1gpk s MET 90 N -2.20 3.84 -0.20 3.44 -1.94 -1.26 -1.35 119.30 119.63 1gpk s MET 90 Ca 0.62 0.37 -0.29 0.00 -1.71 0.00 0.00 55.69 54.68 1gpk s MET 90 Cb -0.51 -2.58 0.14 0.00 2.01 0.00 0.00 34.83 33.88 1gpk s MET 90 CO 0.57 0.25 1.06 0.45 -0.01 0.00 0.00 175.02 177.34 1gpk s SER 91 N -2.43 -0.34 0.32 3.03 0.15 -0.06 -4.88 113.70 109.50 1gpk s SER 91 Ca 0.49 0.43 0.26 0.00 0.70 0.00 0.00 55.95 57.83 1gpk s SER 91 Cb -0.11 0.36 1.07 0.00 -1.71 0.00 0.00 66.02 65.63 1gpk s SER 91 CO 0.21 -0.27 1.77 -0.33 1.20 0.00 0.00 173.24 175.82 1gpk h GLU 92 N 2.79 0.00 -4.77 5.44 5.08 -1.94 -3.28 114.58 117.90 1gpk h GLU 92 Ca -0.19 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.44 1gpk h GLU 92 Cb 1.17 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.24 1gpk h GLU 92 CO 0.26 0.00 1.21 0.34 -1.00 0.00 0.00 179.01 179.82 1gpk s ASP 93 N -4.52 6.99 -0.00 1.42 2.15 -1.26 -4.17 116.67 117.27 1gpk s ASP 93 Ca 0.03 -2.81 0.00 0.00 0.43 0.00 0.00 52.55 50.20 1gpk s ASP 93 Cb 0.09 -2.39 0.00 0.00 -0.30 0.00 0.00 42.92 40.32 1gpk s ASP 93 CO 0.42 -0.80 0.62 0.00 -0.17 0.00 0.00 175.17 175.24 1gpk s LEU 95 N -0.24 4.39 0.14 0.00 1.43 -1.26 -4.73 118.68 118.41 1gpk s LEU 95 Ca 0.00 -2.32 0.02 0.00 -1.03 0.00 0.00 54.13 50.80 1gpk s LEU 95 Cb 0.00 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 1gpk s LEU 95 CO 0.00 -1.09 -0.03 -0.31 0.23 0.00 0.00 176.35 175.15 1gpk s TYR 96 N 3.26 1.04 0.16 0.29 1.51 -1.26 -2.87 117.35 119.48 1gpk s TYR 96 Ca 0.44 -0.98 0.05 0.00 -1.01 0.00 0.00 57.07 55.57 1gpk s TYR 96 Cb -0.01 -0.60 -0.04 0.00 -0.11 0.00 0.00 41.96 41.20 1gpk s TYR 96 CO -0.02 -0.20 -0.10 -0.48 -1.11 0.00 0.00 175.55 173.64 1gpk s LEU 97 N -3.11 2.52 0.01 -1.29 0.05 0.11 -3.33 118.68 113.64 1gpk s LEU 97 Ca 0.18 -1.02 0.07 0.00 0.05 0.00 0.00 54.13 53.41 1gpk s LEU 97 Cb 0.06 -0.39 -0.02 0.00 -2.05 0.00 0.00 46.19 43.79 1gpk s LEU 97 CO -0.00 -0.32 -0.21 0.20 -0.55 0.00 0.00 176.35 175.47 1gpk s ASN 98 N -3.20 2.52 -0.05 1.48 0.01 -0.15 -0.85 114.94 114.71 1gpk s ASN 98 Ca 0.18 -0.44 0.01 0.00 -0.71 0.00 0.00 52.86 51.90 1gpk s ASN 98 Cb 0.02 -0.25 0.02 0.00 0.41 0.00 0.00 41.25 41.45 1gpk s ASN 98 CO 0.02 0.22 -0.05 -0.63 -1.51 0.00 0.00 177.10 175.15 1gpk s ILE 99 N -0.62 0.58 -0.21 0.60 1.01 -0.38 -1.29 121.20 120.89 1gpk s ILE 99 Ca 0.08 -0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.54 1gpk s ILE 99 Cb -0.08 -0.60 -0.02 0.00 0.01 0.00 0.00 42.46 41.76 1gpk s ILE 99 CO 0.00 0.24 0.00 0.26 0.00 0.00 0.00 174.94 175.44 1gpk s TRP 100 N 0.96 3.04 -0.10 3.97 0.51 0.08 -0.48 118.94 126.92 1gpk s TRP 100 Ca -0.10 -0.48 0.04 0.00 -2.12 0.00 0.00 56.10 53.43 1gpk s TRP 100 Cb -0.14 -2.10 0.00 0.00 -0.81 0.00 0.00 33.47 30.42 1gpk s TRP 100 CO 0.00 -0.26 -0.22 0.08 -0.51 0.00 0.00 176.95 176.03 1gpk s VAL 101 N 1.07 1.96 0.81 4.03 1.01 0.51 -1.74 120.40 128.04 1gpk s VAL 101 Ca 0.02 -0.95 -0.14 0.00 0.00 0.00 0.00 61.98 60.91 1gpk s VAL 101 Cb -0.14 -1.70 0.06 0.00 0.00 0.00 0.00 36.38 34.60 1gpk s VAL 101 CO 0.02 0.54 1.03 -2.65 0.00 0.00 0.00 175.10 174.03 1gpk n PRO 102 N 3.61 0.16 -4.56 2.72 -0.02 -1.26 -1.10 135.00 134.55 1gpk n PRO 102 Ca -0.19 0.12 -0.29 0.00 -2.02 0.00 0.00 63.50 61.12 1gpk n PRO 102 Cb 0.53 -2.29 -0.17 0.00 -0.02 0.00 0.00 33.50 31.55 1gpk n PRO 102 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1gpk s SER 103 N -2.01 2.52 0.66 2.55 0.15 -1.26 -2.86 113.70 113.46 1gpk s SER 103 Ca 0.71 -0.45 -0.16 0.00 0.70 0.00 0.00 55.95 56.75 1gpk s SER 103 Cb -0.29 -1.14 0.00 0.00 -1.71 0.00 0.00 66.02 62.88 1gpk s SER 103 CO 0.53 0.04 1.15 -2.16 1.20 0.00 0.00 173.24 174.00 1gpk s PRO 104 N 0.88 2.68 0.09 5.44 0.04 -1.26 -4.97 135.00 137.90 1gpk s PRO 104 Ca -0.08 1.58 -0.34 0.00 0.04 0.00 0.00 61.00 62.20 1gpk s PRO 104 Cb -0.15 -1.92 -0.13 0.00 0.04 0.00 0.00 34.50 32.33 1gpk s PRO 104 CO -0.00 -1.38 1.65 -2.13 0.04 0.00 0.00 177.00 175.18 1gpk n ARG 105 N -2.27 2.10 -0.97 4.56 0.63 -1.13 -4.97 116.66 114.61 1gpk n ARG 105 Ca 0.12 0.76 -0.28 0.00 -0.92 0.00 0.00 57.85 57.52 1gpk n ARG 105 Cb 0.51 -2.54 0.21 0.00 0.45 0.00 0.00 32.46 31.09 1gpk n ARG 105 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1gpk s PRO 106 N 1.76 -0.21 -0.25 -0.14 0.02 -1.26 -5.00 135.00 129.91 1gpk s PRO 106 Ca 0.83 0.54 -0.07 0.00 0.02 0.00 0.00 61.00 62.32 1gpk s PRO 106 Cb -0.70 -1.66 -0.16 0.00 0.02 0.00 0.00 34.50 32.00 1gpk s PRO 106 CO 0.42 -3.17 -0.20 1.63 -0.33 0.00 0.00 177.00 175.35 1gpk n LYS 107 N -4.49 0.63 -2.79 5.54 4.76 -1.26 -4.13 118.16 116.42 1gpk n LYS 107 Ca 0.05 0.24 -0.07 0.00 -2.87 0.00 0.00 58.31 55.66 1gpk n LYS 107 Cb 0.57 -1.54 0.01 0.00 -1.84 0.00 0.00 35.03 32.23 1gpk n LYS 107 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1gpk n SER 108 N -3.79 -3.11 -4.88 4.39 2.88 -1.10 -4.44 113.62 103.57 1gpk n SER 108 Ca -0.48 -3.00 -0.21 0.00 -1.33 0.00 0.00 58.87 53.86 1gpk n SER 108 Cb 0.93 1.63 -0.03 0.00 -0.75 0.00 0.00 64.21 65.99 1gpk n SER 108 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1gpk s THR 109 N 0.75 2.68 0.29 2.46 -1.32 0.47 -4.51 115.64 116.46 1gpk s THR 109 Ca 0.31 -1.34 -0.30 0.00 -1.21 0.00 0.00 61.69 59.15 1gpk s THR 109 Cb 0.07 -3.00 -0.13 0.00 -1.51 0.00 0.00 72.50 67.93 1gpk s THR 109 CO -0.11 -0.00 1.37 0.41 -2.21 0.00 0.00 174.62 174.08 1gpk n THR 110 N -1.55 1.38 -5.03 5.08 -1.04 -1.26 -0.37 114.28 111.49 1gpk n THR 110 Ca 0.04 -0.35 -0.32 0.00 -2.04 0.00 0.00 64.05 61.38 1gpk n THR 110 Cb 0.62 -1.55 -0.14 0.00 -1.82 0.00 0.00 70.33 67.43 1gpk n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1gpk s VAL 111 N -0.48 2.67 -0.08 12.58 1.01 -0.70 -1.48 120.40 133.92 1gpk s VAL 111 Ca 0.63 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1gpk s VAL 111 Cb -0.60 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 33.77 1gpk s VAL 111 CO 0.55 0.58 -0.12 -0.04 0.00 0.00 0.00 175.10 176.06 1gpk s MET 112 N -0.50 1.79 -0.24 2.72 -1.94 -0.68 -0.45 119.30 120.01 1gpk s MET 112 Ca 0.06 -0.42 -0.02 0.00 -1.71 0.00 0.00 55.69 53.60 1gpk s MET 112 Cb -0.12 -1.55 0.02 0.00 2.01 0.00 0.00 34.83 35.19 1gpk s MET 112 CO 0.01 -0.04 -0.07 0.08 -0.01 0.00 0.00 175.02 174.99 1gpk s VAL 113 N 0.92 2.94 0.02 -6.03 1.01 0.54 -0.06 120.40 119.73 1gpk s VAL 113 Ca -0.09 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 60.80 1gpk s VAL 113 Cb -0.15 -2.43 -0.06 0.00 0.00 0.00 0.00 36.38 33.74 1gpk s VAL 113 CO 0.01 0.29 0.63 0.86 0.00 0.00 0.00 175.10 176.88 1gpk s TRP 114 N 1.36 3.72 -0.25 5.22 -0.11 0.22 -0.96 118.94 128.14 1gpk s TRP 114 Ca 0.02 1.28 0.02 0.00 1.22 0.00 0.00 56.10 58.64 1gpk s TRP 114 Cb -0.16 -2.64 0.06 0.00 -1.50 0.00 0.00 33.47 29.23 1gpk s TRP 114 CO -0.05 0.37 -0.08 0.42 -4.62 0.00 0.00 176.95 172.99 1gpk s ILE 115 N -0.31 1.90 0.85 5.86 1.01 -0.01 -2.47 121.20 128.04 1gpk s ILE 115 Ca 0.32 -1.50 -0.11 0.00 0.00 0.00 0.00 60.65 59.36 1gpk s ILE 115 Cb -0.19 -2.10 0.10 0.00 0.01 0.00 0.00 42.46 40.29 1gpk s ILE 115 CO 0.19 -0.09 1.09 -0.72 0.00 0.00 0.00 174.94 175.41 1gpk s TYR 116 N 1.22 2.33 -0.45 3.97 -0.85 -1.26 -3.53 117.35 118.77 1gpk s TYR 116 Ca -0.07 1.44 0.03 0.00 -0.52 0.00 0.00 57.07 57.95 1gpk s TYR 116 Cb -0.19 -3.13 0.19 0.00 0.38 0.00 0.00 41.96 39.21 1gpk s TYR 116 CO -0.06 -2.22 0.82 0.20 -1.52 0.00 0.00 175.55 172.77 1gpk s GLY 117 N -3.30 -1.43 -1.12 5.49 0.00 -1.24 -3.69 107.32 102.03 1gpk s GLY 117 Ca 0.63 0.04 -0.12 0.00 0.00 0.00 0.00 44.72 45.27 1gpk s GLY 117 CO 0.57 3.85 1.21 -0.32 0.00 0.00 0.00 173.10 178.41 1gpk s GLY 118 N 1.15 2.80 -1.03 0.20 0.00 -0.38 -1.27 107.32 108.78 1gpk s GLY 118 Ca 0.25 -3.56 0.00 0.00 0.00 0.00 0.00 44.72 41.41 1gpk s GLY 118 CO -0.07 1.64 0.00 0.61 0.00 0.00 0.00 173.10 175.28 1gpk n GLY 119 N 3.50 0.30 3.06 0.20 0.00 -1.26 -1.03 105.19 109.95 1gpk n GLY 119 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1gpk n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gpk n PHE 120 N -2.45 0.00 0.20 1.61 3.72 -1.26 -4.75 117.46 114.53 1gpk n PHE 120 Ca -0.12 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.30 1gpk n PHE 120 Cb 0.47 -1.21 -0.02 0.00 -0.94 0.00 0.00 39.48 37.78 1gpk n PHE 120 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 1gpk n TYR 121 N -2.20 0.00 -3.92 1.38 0.18 -0.33 -0.22 117.16 112.05 1gpk n TYR 121 Ca 0.00 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.69 1gpk n TYR 121 Cb 0.20 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.11 1gpk n TYR 121 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1gpk s SER 122 N -1.28 -0.10 0.00 9.48 1.04 -0.20 -4.05 113.70 118.59 1gpk s SER 122 Ca 0.02 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1gpk s SER 122 Cb 0.03 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1gpk s SER 122 CO 0.16 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.94 1gpk n GLY 123 N -0.33 4.81 3.10 7.32 0.00 -1.26 -1.25 105.19 117.58 1gpk n GLY 123 Ca -0.05 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 1gpk n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gpk s SER 124 N 0.00 -0.22 0.00 1.61 0.01 -1.26 -4.67 113.70 109.17 1gpk s SER 124 Ca 0.00 0.42 0.29 0.00 1.31 0.00 0.00 55.95 57.97 1gpk s SER 124 Cb 0.00 0.44 1.26 0.00 0.21 0.00 0.00 66.02 67.93 1gpk s SER 124 CO 0.00 -0.08 1.89 -1.54 0.41 0.00 0.00 173.24 173.91 1gpk n SER 125 N 2.92 0.36 -1.14 2.44 3.41 -1.26 -3.87 113.62 116.47 1gpk n SER 125 Ca -0.13 -0.44 0.12 0.00 -0.26 0.00 0.00 58.87 58.16 1gpk n SER 125 Cb 0.58 -0.12 0.22 0.00 -0.26 0.00 0.00 64.21 64.63 1gpk n SER 125 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1gpk n THR 126 N -1.06 0.55 -1.72 6.66 -2.24 -1.26 -4.85 114.28 110.37 1gpk n THR 126 Ca 0.14 -0.77 -0.38 0.00 -2.27 0.00 0.00 64.05 60.77 1gpk n THR 126 Cb 0.27 0.94 0.06 0.00 -2.10 0.00 0.00 70.33 69.50 1gpk n THR 126 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1gpk n LEU 127 N 1.47 5.52 -0.17 3.22 4.77 -1.25 -4.88 117.00 125.68 1gpk n LEU 127 Ca 0.19 0.87 0.08 0.00 -0.03 0.00 0.00 56.01 57.13 1gpk n LEU 127 Cb 0.60 -1.54 0.39 0.00 -2.33 0.00 0.00 43.42 40.54 1gpk n LEU 127 CO 0.15 -1.00 1.21 0.44 -1.33 0.00 0.00 177.39 176.86 1gpk h ASP 128 N 0.80 0.59 0.53 -1.43 3.32 -1.95 0.13 116.42 118.43 1gpk h ASP 128 Ca -0.50 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1gpk h ASP 128 Cb 1.33 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1gpk h ASP 128 CO 0.54 0.37 0.00 1.33 -1.72 0.00 0.00 179.24 179.76 1gpk n VAL 129 N -4.49 0.67 -0.23 -1.35 0.24 -1.26 -2.46 118.33 109.46 1gpk n VAL 129 Ca 0.11 0.17 0.10 0.00 -2.04 0.00 0.00 64.34 62.68 1gpk n VAL 129 Cb 0.29 -0.86 0.26 0.00 -1.47 0.00 0.00 33.84 32.06 1gpk n VAL 129 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1gpk n TYR 130 N -1.43 0.77 -1.66 6.34 4.01 0.03 -4.69 117.16 120.53 1gpk n TYR 130 Ca 0.06 -0.46 -0.42 0.00 -0.16 0.00 0.00 57.90 56.92 1gpk n TYR 130 Cb 0.19 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.18 1gpk n TYR 130 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1gpk s ASN 131 N -1.05 5.33 0.00 7.72 3.84 -1.03 -4.84 114.94 124.92 1gpk s ASN 131 Ca 0.40 1.64 0.28 0.00 0.21 0.00 0.00 52.86 55.39 1gpk s ASN 131 Cb 0.21 -2.51 1.55 0.00 -0.55 0.00 0.00 41.25 39.95 1gpk s ASN 131 CO 0.28 -2.09 2.00 0.61 -2.79 0.00 0.00 177.10 175.11 1gpk n GLY 132 N 5.76 -1.07 0.34 1.21 0.00 -1.26 -4.02 105.19 106.15 1gpk n GLY 132 Ca 0.30 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.19 1gpk n GLY 132 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1gpk h LYS 133 N 0.00 0.82 -0.21 1.61 2.10 -1.92 -0.95 116.57 118.02 1gpk h LYS 133 Ca 0.00 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 58.57 1gpk h LYS 133 Cb 0.14 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 31.28 1gpk h LYS 133 CO 0.00 0.55 0.01 1.88 -2.00 0.00 0.00 179.45 179.89 1gpk h TYR 134 N 0.85 0.38 -0.16 0.07 0.05 -1.80 -0.62 116.97 115.74 1gpk h TYR 134 Ca 0.24 -0.06 -0.06 0.00 0.05 0.00 0.00 58.73 58.90 1gpk h TYR 134 Cb -0.07 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 37.57 1gpk h TYR 134 CO -0.00 0.53 -0.15 1.25 -1.05 0.00 0.00 178.16 178.74 1gpk h LEU 135 N 0.13 0.40 -0.25 3.88 5.85 -1.67 0.54 115.31 124.19 1gpk h LEU 135 Ca 0.06 -0.47 0.02 0.00 0.84 0.00 0.00 57.88 58.33 1gpk h LEU 135 Cb 0.36 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1gpk h LEU 135 CO 0.01 0.79 0.11 0.00 -0.34 0.00 0.00 178.44 179.00 1gpk h ALA 136 N 0.62 0.29 0.06 1.25 0.00 -1.20 -0.34 119.26 119.95 1gpk h ALA 136 Ca 0.03 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1gpk h ALA 136 Cb 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1gpk h ALA 136 CO 0.04 -0.30 -0.03 -0.92 0.00 0.00 0.00 179.25 178.04 1gpk h TYR 137 N 0.24 -0.08 -0.59 0.00 3.20 -1.11 0.51 116.97 119.14 1gpk h TYR 137 Ca 0.11 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 1gpk h TYR 137 Cb 0.05 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 1gpk h TYR 137 CO -0.11 0.23 0.04 1.15 -1.64 0.00 0.00 178.16 177.83 1gpk h THR 138 N -0.39 1.26 -0.05 1.81 2.02 -0.81 -3.25 112.91 113.50 1gpk h THR 138 Ca -0.01 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.09 1gpk h THR 138 Cb 0.34 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1gpk h THR 138 CO 0.01 0.39 0.00 -0.62 0.37 0.00 0.00 175.52 175.68 1gpk n GLU 139 N -4.25 2.05 -3.50 6.66 -0.58 -0.15 -4.99 120.64 115.88 1gpk n GLU 139 Ca 0.03 -1.82 -0.20 0.00 -0.42 0.00 0.00 57.16 54.74 1gpk n GLU 139 Cb 0.32 -1.42 0.08 0.00 -0.57 0.00 0.00 31.44 29.85 1gpk n GLU 139 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1gpk n GLU 140 N 1.23 -7.06 -4.44 3.49 0.28 0.14 -5.02 120.64 109.27 1gpk n GLU 140 Ca 0.13 0.83 -0.26 0.00 -0.16 0.00 0.00 57.16 57.70 1gpk n GLU 140 Cb 0.55 -5.85 -0.11 0.00 1.43 0.00 0.00 31.44 27.45 1gpk n GLU 140 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1gpk s VAL 141 N -3.35 2.39 -0.32 3.84 -7.23 -0.99 -4.65 120.40 110.08 1gpk s VAL 141 Ca 0.22 -2.15 -0.22 0.00 -1.81 0.00 0.00 61.98 58.02 1gpk s VAL 141 Cb -0.10 -2.18 -0.00 0.00 0.56 0.00 0.00 36.38 34.67 1gpk s VAL 141 CO 0.73 -0.21 0.72 -0.69 -0.31 0.00 0.00 175.10 175.35 1gpk s VAL 142 N -1.93 4.84 -0.24 1.32 1.01 -0.55 -4.39 120.40 120.45 1gpk s VAL 142 Ca 0.24 0.96 -0.09 0.00 0.00 0.00 0.00 61.98 63.09 1gpk s VAL 142 Cb -0.07 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1gpk s VAL 142 CO 0.11 -0.26 0.12 -0.22 0.00 0.00 0.00 175.10 174.86 1gpk s LEU 143 N 2.85 3.83 -0.03 3.92 1.98 -0.71 -1.69 118.68 128.83 1gpk s LEU 143 Ca 0.29 -0.02 0.06 0.00 -2.89 0.00 0.00 54.13 51.57 1gpk s LEU 143 Cb -0.14 -2.03 -0.02 0.00 0.66 0.00 0.00 46.19 44.66 1gpk s LEU 143 CO 0.13 0.03 -0.21 -0.69 -1.89 0.00 0.00 176.35 173.72 1gpk s VAL 144 N 1.27 2.45 -0.11 1.68 1.01 0.91 -0.74 120.40 126.87 1gpk s VAL 144 Ca 0.06 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1gpk s VAL 144 Cb -0.14 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.35 1gpk s VAL 144 CO 0.05 0.57 -0.12 -0.94 0.00 0.00 0.00 175.10 174.66 1gpk s SER 145 N -0.72 2.31 0.25 3.32 1.04 -0.41 0.72 113.70 120.20 1gpk s SER 145 Ca 0.11 -0.38 0.03 0.00 0.48 0.00 0.00 55.95 56.19 1gpk s SER 145 Cb -0.10 -0.98 0.04 0.00 0.10 0.00 0.00 66.02 65.07 1gpk s SER 145 CO -0.00 -0.05 0.29 0.00 0.98 0.00 0.00 173.24 174.46 1gpk n LEU 146 N 4.53 0.00 -4.04 2.42 -0.00 -1.03 -0.98 117.00 117.90 1gpk n LEU 146 Ca -0.17 -0.84 -0.10 0.00 -0.00 0.00 0.00 56.01 54.91 1gpk n LEU 146 Cb 0.51 -0.16 -0.08 0.00 -0.00 0.00 0.00 43.42 43.69 1gpk n LEU 146 CO 0.21 -0.59 -0.10 -0.94 -0.00 0.00 0.00 177.39 175.97 1gpk s SER 147 N -2.26 0.11 -0.09 1.45 1.04 -1.21 -4.61 113.70 108.13 1gpk s SER 147 Ca 0.21 -1.03 -0.30 0.00 0.48 0.00 0.00 55.95 55.31 1gpk s SER 147 Cb -0.02 0.41 0.10 0.00 0.10 0.00 0.00 66.02 66.61 1gpk s SER 147 CO 0.14 -0.87 0.85 -0.72 0.98 0.00 0.00 173.24 173.62 1gpk s TYR 148 N -4.02 -0.48 0.29 5.02 1.13 -1.26 -4.44 117.35 113.60 1gpk s TYR 148 Ca 0.22 0.76 -0.29 0.00 -1.41 0.00 0.00 57.07 56.35 1gpk s TYR 148 Cb 0.04 0.45 -0.10 0.00 -1.10 0.00 0.00 41.96 41.25 1gpk s TYR 148 CO 0.03 -0.48 1.43 1.03 -2.51 0.00 0.00 175.55 175.05 1gpk s ARG 149 N -1.45 4.25 0.53 -3.49 0.52 -1.26 -4.91 118.95 113.14 1gpk s ARG 149 Ca -0.04 2.35 0.02 0.00 -0.52 0.00 0.00 55.73 57.54 1gpk s ARG 149 Cb -0.00 -3.07 0.01 0.00 0.52 0.00 0.00 34.95 32.41 1gpk s ARG 149 CO 0.03 -0.40 0.11 0.14 0.02 0.00 0.00 175.30 175.20 1gpk s VAL 150 N -0.47 1.21 0.00 3.52 -7.23 -1.26 -4.07 120.40 112.10 1gpk s VAL 150 Ca 0.56 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 1gpk s VAL 150 Cb -0.43 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.44 1gpk s VAL 150 CO 0.49 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.89 1gpk n GLY 151 N -1.42 0.94 0.37 2.32 0.00 0.69 -2.41 105.19 105.68 1gpk n GLY 151 Ca -0.16 -0.80 0.09 0.00 0.00 0.00 0.00 46.02 45.16 1gpk n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gpk h ALA 152 N -0.95 1.75 -0.78 4.61 0.00 -1.89 -0.92 119.26 121.07 1gpk h ALA 152 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1gpk h ALA 152 Cb 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1gpk h ALA 152 CO 0.00 0.06 0.51 0.74 0.00 0.00 0.00 179.25 180.57 1gpk h PHE 153 N 0.76 0.61 0.00 0.00 0.04 -1.90 -0.86 116.94 115.59 1gpk h PHE 153 Ca 0.40 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.19 1gpk h PHE 153 Cb 0.52 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1gpk h PHE 153 CO -0.00 0.24 -0.63 0.41 -0.60 0.00 0.00 178.31 177.73 1gpk n GLY 154 N -1.49 -0.18 0.00 -1.45 0.00 -0.63 -4.06 105.19 97.38 1gpk n GLY 154 Ca 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1gpk n GLY 154 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gpk n PHE 155 N -1.32 0.00 -1.71 1.61 3.72 -0.45 -0.48 117.46 118.83 1gpk n PHE 155 Ca 0.02 -0.05 -0.43 0.00 -0.05 0.00 0.00 57.45 56.94 1gpk n PHE 155 Cb 0.20 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.70 1gpk n PHE 155 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1gpk n LEU 156 N -0.05 3.76 -3.87 4.37 7.94 -0.35 -4.44 117.00 124.36 1gpk n LEU 156 Ca 0.00 1.07 -0.28 0.00 -1.11 0.00 0.00 56.01 55.69 1gpk n LEU 156 Cb 0.44 -1.53 -0.16 0.00 0.53 0.00 0.00 43.42 42.69 1gpk n LEU 156 CO 0.00 0.05 -0.42 0.00 -1.11 0.00 0.00 177.39 175.92 1gpk s ALA 157 N 1.08 1.41 -0.66 1.96 0.00 -1.26 -3.22 121.76 121.07 1gpk s ALA 157 Ca 0.76 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.98 1gpk s ALA 157 Cb -0.55 -1.12 0.22 0.00 0.00 0.00 0.00 23.12 21.67 1gpk s ALA 157 CO 0.34 -0.82 0.64 1.28 0.00 0.00 0.00 175.76 177.21 1gpk n LEU 158 N 4.90 3.34 -4.56 0.00 4.77 0.20 -2.74 117.00 122.91 1gpk n LEU 158 Ca -0.11 -5.33 -0.52 0.00 -0.03 0.00 0.00 56.01 50.02 1gpk n LEU 158 Cb 0.48 -0.65 -0.06 0.00 -2.33 0.00 0.00 43.42 40.86 1gpk n LEU 158 CO 0.16 1.95 0.77 1.57 -1.33 0.00 0.00 177.39 180.50 1gpk n HIS 159 N 1.29 1.23 0.00 -1.77 -0.00 -1.26 -1.27 115.22 113.44 1gpk n HIS 159 Ca 0.26 0.74 0.00 0.00 -0.00 0.00 0.00 57.72 58.72 1gpk n HIS 159 Cb 0.39 -2.26 0.00 0.00 -0.00 0.00 0.00 29.99 28.12 1gpk n HIS 159 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1gpk n GLY 160 N 2.19 2.60 3.88 1.57 0.00 -1.26 -5.06 105.19 109.11 1gpk n GLY 160 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1gpk n GLY 160 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gpk s SER 161 N -0.91 6.57 0.00 1.61 0.15 -0.40 -4.99 113.70 115.73 1gpk s SER 161 Ca 0.00 0.68 0.22 0.00 0.70 0.00 0.00 55.95 57.55 1gpk s SER 161 Cb 0.00 -2.13 -0.11 0.00 -1.71 0.00 0.00 66.02 62.07 1gpk s SER 161 CO 0.00 0.15 1.00 0.00 1.20 0.00 0.00 173.24 175.60 1gpk n GLN 162 N 0.70 0.66 0.02 5.44 1.13 -1.26 -3.45 117.38 120.63 1gpk n GLN 162 Ca -0.07 -0.55 -0.07 0.00 -1.94 0.00 0.00 57.00 54.37 1gpk n GLN 162 Cb 0.52 -1.49 -0.13 0.00 0.11 0.00 0.00 30.24 29.26 1gpk n GLN 162 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1gpk h GLU 163 N 1.33 0.00 -1.36 -1.09 4.39 -1.93 -3.41 114.58 112.51 1gpk h GLU 163 Ca 0.00 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 59.26 1gpk h GLU 163 Cb 0.64 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 28.99 1gpk h GLU 163 CO 0.00 0.76 -0.88 0.00 -1.16 0.00 0.00 179.01 177.72 1gpk n ALA 164 N -2.44 1.10 0.38 3.43 0.00 -1.26 -3.00 120.51 118.72 1gpk n ALA 164 Ca -0.08 -2.67 0.14 0.00 0.00 0.00 0.00 53.44 50.83 1gpk n ALA 164 Cb 0.99 -1.00 0.45 0.00 0.00 0.00 0.00 19.45 19.89 1gpk n ALA 164 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1gpk h PRO 165 N 4.15 0.00 0.00 0.00 0.13 -1.73 0.59 132.00 135.13 1gpk h PRO 165 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1gpk h PRO 165 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1gpk h PRO 165 CO 0.40 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.58 1gpk n GLY 166 N 0.58 0.45 3.21 1.56 0.00 -1.20 -4.46 105.19 105.34 1gpk n GLY 166 Ca 0.03 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1gpk n GLY 166 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gpk n ASN 167 N -0.72 -4.63 0.27 1.61 3.02 -1.26 -4.83 115.26 108.73 1gpk n ASN 167 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.66 1gpk n ASN 167 Cb 0.00 -3.24 0.74 0.00 -0.61 0.00 0.00 39.78 36.67 1gpk n ASN 167 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1gpk h VAL 168 N 0.00 0.83 -0.23 2.41 -1.51 -1.84 0.39 116.25 116.30 1gpk h VAL 168 Ca 0.00 -0.03 -0.08 0.00 -1.23 0.00 0.00 66.70 65.36 1gpk h VAL 168 Cb 0.77 1.01 -0.01 0.00 -2.13 0.00 0.00 31.29 30.93 1gpk h VAL 168 CO 0.00 0.01 -0.20 1.23 -1.23 0.00 0.00 177.57 177.37 1gpk h GLY 169 N 0.03 0.45 1.27 5.19 0.00 -1.00 0.43 103.07 109.43 1gpk h GLY 169 Ca -0.00 -0.33 -0.16 0.00 0.00 0.00 0.00 47.33 46.84 1gpk h GLY 169 CO 0.00 0.31 -0.45 1.41 0.00 0.00 0.00 176.54 177.81 1gpk h LEU 170 N 0.38 0.85 -1.34 3.11 3.38 -1.20 -2.58 115.31 117.90 1gpk h LEU 170 Ca 0.06 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 1gpk h LEU 170 Cb 0.57 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1gpk h LEU 170 CO 0.04 1.17 -0.19 -0.07 0.09 0.00 0.00 178.44 179.48 1gpk h LEU 171 N 0.63 0.19 -0.41 1.67 3.38 -0.63 -0.34 115.31 119.81 1gpk h LEU 171 Ca 0.04 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1gpk h LEU 171 Cb 1.02 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1gpk h LEU 171 CO 0.10 0.40 0.18 0.44 0.09 0.00 0.00 178.44 179.65 1gpk h ASP 172 N 0.19 0.54 -0.29 -0.43 3.32 -0.64 0.52 116.42 119.63 1gpk h ASP 172 Ca 0.04 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 56.96 1gpk h ASP 172 Cb 0.45 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1gpk h ASP 172 CO 0.03 0.54 0.15 1.56 -1.72 0.00 0.00 179.24 179.79 1gpk h GLN 173 N 0.52 0.30 -1.00 3.56 4.20 -0.98 -1.71 115.11 120.00 1gpk h GLN 173 Ca 0.14 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.87 1gpk h GLN 173 Cb 0.15 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.80 1gpk h GLN 173 CO -0.02 0.20 0.66 -0.09 -0.67 0.00 0.00 178.83 178.91 1gpk h ARG 174 N 0.31 1.23 -0.74 1.46 2.43 -0.62 -0.76 114.38 117.69 1gpk h ARG 174 Ca 0.12 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1gpk h ARG 174 Cb 0.03 -0.28 -0.03 0.00 -0.42 0.00 0.00 29.97 29.27 1gpk h ARG 174 CO -0.08 0.81 0.34 1.98 -1.51 0.00 0.00 179.97 181.51 1gpk h MET 175 N 1.26 1.07 -0.51 0.20 4.05 -0.36 0.60 114.93 121.24 1gpk h MET 175 Ca 0.40 -0.17 -0.06 0.00 -0.28 0.00 0.00 59.70 59.59 1gpk h MET 175 Cb 0.01 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.60 1gpk h MET 175 CO -0.13 0.85 0.07 0.00 0.23 0.00 0.00 176.91 177.93 1gpk h ALA 176 N 1.17 0.68 -0.34 0.39 0.00 -0.56 -0.26 119.26 120.33 1gpk h ALA 176 Ca 0.25 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1gpk h ALA 176 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1gpk h ALA 176 CO -0.03 0.43 -0.06 -0.07 0.00 0.00 0.00 179.25 179.52 1gpk h LEU 177 N 0.73 0.54 -0.38 0.00 3.38 -0.72 -0.51 115.31 118.35 1gpk h LEU 177 Ca 0.15 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1gpk h LEU 177 Cb 0.42 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1gpk h LEU 177 CO 0.01 0.65 0.04 -0.61 0.09 0.00 0.00 178.44 178.62 1gpk h GLN 178 N 0.53 0.64 -0.49 1.13 5.75 -0.39 0.16 115.11 122.43 1gpk h GLN 178 Ca 0.10 -0.18 -0.00 0.00 -0.15 0.00 0.00 58.65 58.42 1gpk h GLN 178 Cb 0.44 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 1gpk h GLN 178 CO 0.02 0.71 0.30 2.35 -2.65 0.00 0.00 178.83 179.56 1gpk h TRP 179 N 0.47 0.64 -0.05 3.99 7.01 -0.64 0.39 115.95 127.76 1gpk h TRP 179 Ca 0.11 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.11 1gpk h TRP 179 Cb 0.40 -0.21 -0.00 0.00 -2.10 0.00 0.00 29.16 27.24 1gpk h TRP 179 CO 0.03 0.44 0.03 0.28 -2.79 0.00 0.00 178.44 176.44 1gpk h VAL 180 N 0.66 1.01 -0.84 2.65 2.07 -0.90 0.26 116.25 121.16 1gpk h VAL 180 Ca 0.18 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.76 1gpk h VAL 180 Cb -0.02 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 1gpk h VAL 180 CO -0.03 0.01 0.50 -0.74 0.02 0.00 0.00 177.57 177.33 1gpk h HIS 181 N 0.07 0.91 0.04 1.57 -0.00 -0.57 0.24 115.15 117.41 1gpk h HIS 181 Ca 0.02 0.03 -0.23 0.00 -0.00 0.00 0.00 60.37 60.19 1gpk h HIS 181 Cb -0.01 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.11 1gpk h HIS 181 CO -0.08 0.41 -1.02 -0.44 -0.00 0.00 0.00 177.93 176.80 1gpk h ASP 182 N 0.86 0.30 0.00 3.26 3.32 -0.49 -3.41 116.42 120.25 1gpk h ASP 182 Ca 0.39 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1gpk h ASP 182 Cb 0.30 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1gpk h ASP 182 CO -0.22 1.14 -0.26 0.59 -1.72 0.00 0.00 179.24 178.77 1gpk n ASN 183 N -3.58 0.86 0.30 6.45 3.02 0.88 -4.73 115.26 118.45 1gpk n ASN 183 Ca -0.05 -0.45 0.19 0.00 -0.03 0.00 0.00 54.58 54.24 1gpk n ASN 183 Cb 0.90 1.01 1.00 0.00 -0.61 0.00 0.00 39.78 42.09 1gpk n ASN 183 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1gpk h ILE 184 N 0.00 0.24 -0.04 2.41 6.09 -0.68 -1.29 117.51 124.24 1gpk h ILE 184 Ca 0.00 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.47 1gpk h ILE 184 Cb 0.05 0.92 -0.00 0.00 0.47 0.00 0.00 36.82 38.25 1gpk h ILE 184 CO 0.00 0.00 -0.06 0.06 -3.07 0.00 0.00 178.15 175.08 1gpk h GLN 185 N 0.00 0.05 0.00 2.19 3.07 -1.78 -0.31 115.11 118.33 1gpk h GLN 185 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.76 1gpk h GLN 185 Cb 0.21 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.76 1gpk h GLN 185 CO -0.00 0.12 0.00 1.19 0.09 0.00 0.00 178.83 180.23 1gpk n PHE 186 N -4.44 0.82 0.58 0.06 3.72 -0.49 -2.18 117.46 115.53 1gpk n PHE 186 Ca -0.02 0.28 0.11 0.00 -0.05 0.00 0.00 57.45 57.77 1gpk n PHE 186 Cb 0.16 -0.95 0.15 0.00 -0.94 0.00 0.00 39.48 37.90 1gpk n PHE 186 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1gpk n PHE 187 N -2.21 0.26 -0.19 1.38 3.01 -0.51 -4.87 117.46 114.33 1gpk n PHE 187 Ca 0.04 -0.14 0.00 0.00 1.01 0.00 0.00 57.45 58.36 1gpk n PHE 187 Cb 0.32 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.79 1gpk n PHE 187 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gpk n GLY 188 N 1.34 0.82 3.89 1.37 0.00 -0.93 -4.59 105.19 107.10 1gpk n GLY 188 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1gpk n GLY 188 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gpk s GLY 189 N -1.78 2.25 -0.48 -0.02 0.00 -0.24 -0.40 107.32 106.64 1gpk s GLY 189 Ca 0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 44.72 44.01 1gpk s GLY 189 CO 0.00 -0.41 0.63 -0.35 0.00 0.00 0.00 173.10 172.97 1gpk s ASP 190 N -2.36 6.25 0.00 1.64 2.15 0.50 -3.08 116.67 121.77 1gpk s ASP 190 Ca 0.41 -0.72 0.03 0.00 0.43 0.00 0.00 52.55 52.70 1gpk s ASP 190 Cb -0.12 -2.30 0.14 0.00 -0.30 0.00 0.00 42.92 40.34 1gpk s ASP 190 CO 0.24 -0.85 1.05 -0.81 -0.17 0.00 0.00 175.17 174.62 1gpk n PRO 191 N 6.21 0.01 -0.05 4.34 -0.04 -1.26 -1.19 135.00 143.02 1gpk n PRO 191 Ca -0.05 0.39 0.12 0.00 -0.04 0.00 0.00 63.50 63.92 1gpk n PRO 191 Cb 0.46 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.63 1gpk n PRO 191 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1gpk n LYS 192 N -1.43 2.25 -2.95 0.54 4.01 -1.26 -4.35 118.16 114.97 1gpk n LYS 192 Ca 0.01 -1.85 -0.18 0.00 -0.51 0.00 0.00 58.31 55.78 1gpk n LYS 192 Cb 0.03 -1.47 -0.02 0.00 -0.51 0.00 0.00 35.03 33.07 1gpk n LYS 192 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1gpk n THR 193 N 1.17 0.95 -3.77 -0.18 -1.04 -0.33 -4.74 114.28 106.33 1gpk n THR 193 Ca 0.16 -4.45 -0.36 0.00 -2.04 0.00 0.00 64.05 57.36 1gpk n THR 193 Cb 0.55 -0.35 -0.10 0.00 -1.82 0.00 0.00 70.33 68.61 1gpk n THR 193 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1gpk s VAL 194 N -3.26 4.98 -0.20 12.58 1.01 -1.26 -1.72 120.40 132.53 1gpk s VAL 194 Ca 0.39 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.38 1gpk s VAL 194 Cb 0.37 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1gpk s VAL 194 CO -0.07 0.37 -0.02 -0.89 0.00 0.00 0.00 175.10 174.48 1gpk s THR 195 N 1.04 3.71 -0.04 3.92 2.01 0.40 -0.06 115.64 126.62 1gpk s THR 195 Ca 0.06 -0.39 -0.15 0.00 0.31 0.00 0.00 61.69 61.52 1gpk s THR 195 Cb -0.14 -2.68 -0.05 0.00 0.01 0.00 0.00 72.50 69.64 1gpk s THR 195 CO 0.04 0.43 0.39 0.27 -0.69 0.00 0.00 174.62 175.05 1gpk s ILE 196 N 1.14 5.12 -0.04 1.82 -4.36 -0.60 -0.34 121.20 123.94 1gpk s ILE 196 Ca 0.02 0.78 -0.07 0.00 -0.26 0.00 0.00 60.65 61.12 1gpk s ILE 196 Cb -0.14 -3.70 0.01 0.00 1.25 0.00 0.00 42.46 39.88 1gpk s ILE 196 CO 0.01 0.52 0.16 0.72 0.24 0.00 0.00 174.94 176.59 1gpk s PHE 197 N -0.65 -0.09 0.22 1.37 -0.71 -0.13 -0.96 117.98 117.04 1gpk s PHE 197 Ca 0.23 0.20 -0.22 0.00 -1.04 0.00 0.00 56.93 56.10 1gpk s PHE 197 Cb -0.16 0.02 0.04 0.00 -1.21 0.00 0.00 43.02 41.71 1gpk s PHE 197 CO 0.11 -0.18 0.66 0.20 -1.34 0.00 0.00 175.22 174.68 1gpk s GLY 198 N -0.55 -0.33 0.10 1.99 0.00 -1.08 -0.83 107.32 106.62 1gpk s GLY 198 Ca -0.06 0.05 0.10 0.00 0.00 0.00 0.00 44.72 44.81 1gpk s GLY 198 CO 0.01 0.02 -0.27 1.85 0.00 0.00 0.00 173.10 174.71 1gpk s GLU 199 N -3.84 1.54 7.32 2.90 -6.30 -1.23 -1.00 118.70 118.08 1gpk s GLU 199 Ca 0.06 -1.25 0.00 0.00 -2.50 0.00 0.00 54.97 51.28 1gpk s GLU 199 Cb -0.04 -1.91 0.00 0.00 0.00 0.00 0.00 34.13 32.18 1gpk s GLU 199 CO -0.02 0.47 0.00 0.45 0.02 0.00 0.00 175.26 176.18 1gpk n SER 200 N 1.24 0.00 0.30 -1.70 2.88 0.87 -0.27 113.62 116.93 1gpk n SER 200 Ca -0.18 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.52 1gpk n SER 200 Cb 0.53 0.00 0.93 0.00 -0.75 0.00 0.00 64.21 64.91 1gpk n SER 200 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gpk h ALA 201 N -0.91 1.38 -0.10 -1.46 0.00 -1.48 0.37 119.26 117.06 1gpk h ALA 201 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1gpk h ALA 201 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1gpk h ALA 201 CO 0.00 0.03 -0.53 0.78 0.00 0.00 0.00 179.25 179.53 1gpk h GLY 202 N 0.20 0.32 1.17 0.00 0.00 -0.71 0.14 103.07 104.20 1gpk h GLY 202 Ca -0.00 -0.36 -0.18 0.00 0.00 0.00 0.00 47.33 46.78 1gpk h GLY 202 CO 0.00 0.33 -0.54 -1.33 0.00 0.00 0.00 176.54 175.00 1gpk h GLY 203 N 1.33 0.95 1.08 4.60 0.00 -0.22 -1.58 103.07 109.23 1gpk h GLY 203 Ca 0.01 -1.10 -0.09 0.00 0.00 0.00 0.00 47.33 46.14 1gpk h GLY 203 CO 0.09 0.99 0.05 0.00 0.00 0.00 0.00 176.54 177.67 1gpk h ALA 204 N 0.71 0.87 -0.19 3.60 0.00 -0.91 -2.57 119.26 120.76 1gpk h ALA 204 Ca 0.02 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1gpk h ALA 204 Cb 1.15 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1gpk h ALA 204 CO 0.12 0.68 0.03 0.77 0.00 0.00 0.00 179.25 180.84 1gpk h SER 205 N 1.02 -0.01 -0.35 0.00 0.02 -0.56 0.15 113.55 113.83 1gpk h SER 205 Ca 0.19 0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.24 1gpk h SER 205 Cb 0.51 0.05 -0.07 0.00 0.14 0.00 0.00 62.40 63.03 1gpk h SER 205 CO 0.02 0.02 -0.11 0.58 -1.14 0.00 0.00 176.83 176.20 1gpk h VAL 206 N 0.10 0.59 -0.12 2.27 2.07 -1.11 0.37 116.25 120.42 1gpk h VAL 206 Ca 0.09 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 1gpk h VAL 206 Cb 0.09 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1gpk h VAL 206 CO -0.12 0.00 -0.01 1.23 0.02 0.00 0.00 177.57 178.69 1gpk h GLY 207 N -0.04 0.18 2.00 2.17 0.00 -1.03 -1.67 103.07 104.67 1gpk h GLY 207 Ca 0.17 -0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.30 1gpk h GLY 207 CO -0.38 0.08 -0.56 -0.33 0.00 0.00 0.00 176.54 175.35 1gpk h MET 208 N 0.17 0.00 0.00 4.80 2.86 0.10 -1.64 114.93 121.22 1gpk h MET 208 Ca 0.04 -0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.57 1gpk h MET 208 Cb 0.14 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 1gpk h MET 208 CO 0.00 0.56 -0.52 0.45 1.06 0.00 0.00 176.91 178.47 1gpk h HIS 209 N 0.00 0.00 -0.24 -0.22 3.86 -0.25 0.75 115.15 119.05 1gpk h HIS 209 Ca -0.01 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.04 1gpk h HIS 209 Cb 0.99 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.46 1gpk h HIS 209 CO 0.00 0.52 -0.50 0.82 0.86 0.00 0.00 177.93 179.63 1gpk h ILE 210 N 0.00 1.30 0.01 2.45 2.04 -0.92 -3.20 117.51 119.19 1gpk h ILE 210 Ca -0.01 -1.71 -0.00 0.00 1.00 0.00 0.00 64.86 64.15 1gpk h ILE 210 Cb 1.21 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 1gpk h ILE 210 CO 0.07 0.54 -0.00 -0.07 0.00 0.00 0.00 178.15 178.68 1gpk h LEU 211 N 0.53 -0.01 -9.25 1.44 3.38 -1.11 0.11 115.31 110.40 1gpk h LEU 211 Ca 0.02 -0.82 -0.55 0.00 0.09 0.00 0.00 57.88 56.63 1gpk h LEU 211 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1gpk h LEU 211 CO 0.10 0.85 1.20 -0.55 0.09 0.00 0.00 178.44 180.13 1gpk s SER 212 N -6.05 6.42 0.30 -0.43 0.15 0.24 -4.66 113.70 109.67 1gpk s SER 212 Ca -0.17 2.31 0.07 0.00 0.70 0.00 0.00 55.95 58.85 1gpk s SER 212 Cb -0.02 -2.53 0.78 0.00 -1.71 0.00 0.00 66.02 62.54 1gpk s SER 212 CO 0.63 -1.13 1.75 -0.65 1.20 0.00 0.00 173.24 175.04 1gpk h PRO 213 N 10.69 0.64 0.00 5.44 0.11 -1.87 -1.24 132.00 145.77 1gpk h PRO 213 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1gpk h PRO 213 Cb 1.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1gpk h PRO 213 CO 0.95 0.42 0.00 0.41 -0.21 0.00 0.00 178.00 179.58 1gpk n GLY 214 N -1.32 -0.86 0.02 -0.55 0.00 -1.26 -3.41 105.19 97.81 1gpk n GLY 214 Ca 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 1gpk n GLY 214 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gpk n SER 215 N -1.28 3.17 -0.30 1.61 7.64 -0.49 -4.79 113.62 119.19 1gpk n SER 215 Ca 0.08 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.10 1gpk n SER 215 Cb 0.14 0.93 0.31 0.00 -1.01 0.00 0.00 64.21 64.57 1gpk n SER 215 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1gpk h ARG 216 N 0.00 0.20 0.00 1.43 3.08 -1.49 -1.05 114.38 116.55 1gpk h ARG 216 Ca -0.13 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1gpk h ARG 216 Cb 1.06 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1gpk h ARG 216 CO 0.01 0.13 0.00 -0.25 -1.07 0.00 0.00 179.97 178.79 1gpk n ASP 217 N -5.22 0.00 -0.23 7.04 8.00 -1.26 -3.67 116.55 121.21 1gpk n ASP 217 Ca 0.22 -0.44 0.13 0.00 0.71 0.00 0.00 54.79 55.41 1gpk n ASP 217 Cb 0.71 -0.15 0.42 0.00 -0.02 0.00 0.00 41.12 42.09 1gpk n ASP 217 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1gpk n LEU 218 N -1.15 0.94 -3.93 0.64 4.77 -0.40 -4.95 117.00 112.93 1gpk n LEU 218 Ca 0.16 -0.22 -0.09 0.00 -0.03 0.00 0.00 56.01 55.82 1gpk n LEU 218 Cb 0.15 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 1gpk n LEU 218 CO 0.17 0.18 0.11 0.72 -1.33 0.00 0.00 177.39 177.24 1gpk s PHE 219 N -2.48 0.29 -0.27 -1.77 -0.71 -1.24 -4.75 117.98 107.04 1gpk s PHE 219 Ca 0.25 -0.64 -0.12 0.00 -1.04 0.00 0.00 56.93 55.38 1gpk s PHE 219 Cb 0.19 0.12 -0.12 0.00 -1.21 0.00 0.00 43.02 42.01 1gpk s PHE 219 CO 0.51 -0.87 -0.34 -2.13 -1.34 0.00 0.00 175.22 171.05 1gpk n ARG 220 N -0.31 0.58 -4.32 1.99 3.00 0.91 -4.95 116.66 113.57 1gpk n ARG 220 Ca -0.05 0.25 -0.16 0.00 -0.00 0.00 0.00 57.85 57.88 1gpk n ARG 220 Cb 0.63 -1.47 -0.10 0.00 0.00 0.00 0.00 32.46 31.51 1gpk n ARG 220 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1gpk s ARG 221 N -2.50 1.39 -0.00 -0.14 0.52 -1.01 -4.64 118.95 112.57 1gpk s ARG 221 Ca -0.38 -1.75 -0.03 0.00 -0.52 0.00 0.00 55.73 53.05 1gpk s ARG 221 Cb 0.14 -0.32 -0.00 0.00 0.52 0.00 0.00 34.95 35.29 1gpk s ARG 221 CO 0.49 -0.26 0.07 0.00 0.02 0.00 0.00 175.30 175.61 1gpk s ALA 222 N -3.70 -0.15 -0.08 2.13 0.00 -1.17 -1.56 121.76 117.23 1gpk s ALA 222 Ca 0.36 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.20 1gpk s ALA 222 Cb 0.08 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.24 1gpk s ALA 222 CO 0.13 -0.13 -0.11 0.42 0.00 0.00 0.00 175.76 176.07 1gpk s ILE 223 N -0.88 1.11 -0.18 0.00 1.01 -0.13 -1.58 121.20 120.54 1gpk s ILE 223 Ca -0.10 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.14 1gpk s ILE 223 Cb -0.06 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.38 1gpk s ILE 223 CO 0.00 0.36 -0.20 -0.76 0.00 0.00 0.00 174.94 174.35 1gpk s LEU 224 N 1.02 2.15 -0.26 2.97 1.02 -0.33 -2.62 118.68 122.63 1gpk s LEU 224 Ca -0.08 -0.64 -0.04 0.00 0.02 0.00 0.00 54.13 53.39 1gpk s LEU 224 Cb -0.15 -1.49 0.01 0.00 0.02 0.00 0.00 46.19 44.59 1gpk s LEU 224 CO -0.01 -0.00 -0.01 -1.10 0.02 0.00 0.00 176.35 175.25 1gpk s GLN 225 N 1.29 3.01 -1.51 1.70 -0.21 -0.17 -2.06 119.66 121.71 1gpk s GLN 225 Ca 0.05 -0.88 -0.11 0.00 0.02 0.00 0.00 55.36 54.44 1gpk s GLN 225 Cb -0.13 -3.12 0.07 0.00 1.00 0.00 0.00 33.01 30.83 1gpk s GLN 225 CO -0.13 -0.38 0.84 0.43 -2.12 0.00 0.00 175.29 173.93 1gpk n SER 226 N 4.76 -3.38 -3.63 5.90 7.64 -0.14 -0.09 113.62 124.68 1gpk n SER 226 Ca -0.16 -0.85 -0.07 0.00 1.01 0.00 0.00 58.87 58.79 1gpk n SER 226 Cb 0.48 -3.62 -0.06 0.00 -1.01 0.00 0.00 64.21 59.99 1gpk n SER 226 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1gpk s GLY 227 N -3.62 -0.02 0.00 0.23 0.00 -1.26 -3.21 107.32 99.45 1gpk s GLY 227 Ca 0.48 2.80 -0.08 0.00 0.00 0.00 0.00 44.72 47.92 1gpk s GLY 227 CO 0.85 1.66 0.16 -1.35 0.00 0.00 0.00 173.10 174.43 1gpk s SER 228 N -0.16 0.00 0.53 1.64 1.04 -1.26 -4.04 113.70 111.45 1gpk s SER 228 Ca 0.04 -0.18 0.25 0.00 0.48 0.00 0.00 55.95 56.53 1gpk s SER 228 Cb -0.04 0.22 1.39 0.00 0.10 0.00 0.00 66.02 67.69 1gpk s SER 228 CO -0.07 -0.39 2.01 1.55 0.98 0.00 0.00 173.24 177.31 1gpk h PRO 229 N 4.16 0.00 -0.30 4.02 0.13 -1.80 -2.46 132.00 135.75 1gpk h PRO 229 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1gpk h PRO 229 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1gpk h PRO 229 CO 0.41 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.45 1gpk n ASN 230 N -4.39 1.68 -4.76 1.44 6.94 -1.26 -4.74 115.26 110.17 1gpk n ASN 230 Ca 0.09 -1.97 -0.40 0.00 -0.02 0.00 0.00 54.58 52.27 1gpk n ASN 230 Cb 0.57 -0.20 0.01 0.00 -2.36 0.00 0.00 39.78 37.80 1gpk n ASN 230 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1gpk h PRO 232 N 2.36 0.00 -0.00 0.00 0.13 -1.83 -1.28 132.00 131.37 1gpk h PRO 232 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1gpk h PRO 232 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1gpk h PRO 232 CO 0.61 0.00 -0.86 -2.67 -0.23 0.00 0.00 178.00 174.85 1gpk n TRP 233 N -3.23 0.00 0.62 1.56 4.27 -1.26 -4.57 117.44 114.83 1gpk n TRP 233 Ca -0.01 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.73 1gpk n TRP 233 Cb 0.30 0.00 0.43 0.00 -1.36 0.00 0.00 31.31 30.69 1gpk n TRP 233 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1gpk n ALA 234 N -1.25 2.19 -3.50 -1.67 0.00 -0.48 -4.65 120.51 111.15 1gpk n ALA 234 Ca 0.05 -0.01 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 1gpk n ALA 234 Cb 0.33 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 1gpk n ALA 234 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1gpk s SER 235 N -4.36 -0.44 0.16 0.00 1.04 -1.26 -3.63 113.70 105.21 1gpk s SER 235 Ca 0.10 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1gpk s SER 235 Cb 0.12 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.83 1gpk s SER 235 CO 0.56 -1.07 0.05 0.68 0.98 0.00 0.00 173.24 174.44 1gpk s VAL 236 N -3.81 0.30 0.76 5.02 -7.23 -0.57 -4.98 120.40 109.90 1gpk s VAL 236 Ca 0.05 -1.95 -0.11 0.00 -1.81 0.00 0.00 61.98 58.15 1gpk s VAL 236 Cb -0.02 -2.18 0.05 0.00 0.56 0.00 0.00 36.38 34.79 1gpk s VAL 236 CO -0.07 -0.37 1.09 -0.94 -0.31 0.00 0.00 175.10 174.51 1gpk s SER 237 N -3.13 4.83 0.37 4.85 1.04 -1.26 -2.10 113.70 118.32 1gpk s SER 237 Ca 0.27 1.32 0.04 0.00 0.48 0.00 0.00 55.95 58.07 1gpk s SER 237 Cb 0.07 -2.10 0.73 0.00 0.10 0.00 0.00 66.02 64.82 1gpk s SER 237 CO 0.05 -1.75 2.03 0.58 0.98 0.00 0.00 173.24 175.12 1gpk h VAL 238 N -0.94 1.14 -0.26 5.02 2.07 -1.94 -0.81 116.25 120.53 1gpk h VAL 238 Ca -0.46 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 1gpk h VAL 238 Cb 1.26 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1gpk h VAL 238 CO 0.60 0.14 -0.08 0.00 0.02 0.00 0.00 177.57 178.25 1gpk h ALA 239 N 1.66 0.36 -0.36 1.67 0.00 -1.95 -1.74 119.26 118.89 1gpk h ALA 239 Ca 0.20 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1gpk h ALA 239 Cb -0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1gpk h ALA 239 CO -0.04 0.18 -0.25 1.49 0.00 0.00 0.00 179.25 180.63 1gpk h GLU 240 N 0.25 0.73 -0.51 0.00 4.57 -1.85 -0.58 114.58 117.19 1gpk h GLU 240 Ca 0.06 -0.30 -0.01 0.00 -1.18 0.00 0.00 59.36 57.93 1gpk h GLU 240 Cb 0.56 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 1gpk h GLU 240 CO 0.03 0.91 0.29 0.78 -1.18 0.00 0.00 179.01 179.84 1gpk h GLY 241 N 0.97 0.75 0.94 1.92 0.00 -1.10 -0.42 103.07 106.13 1gpk h GLY 241 Ca 0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1gpk h GLY 241 CO 0.06 0.32 0.16 -0.09 0.00 0.00 0.00 176.54 176.99 1gpk h ARG 242 N 0.68 0.58 -0.53 4.80 2.43 -1.08 -1.31 114.38 119.95 1gpk h ARG 242 Ca 0.18 -0.10 0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1gpk h ARG 242 Cb 0.03 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 1gpk h ARG 242 CO -0.03 0.55 0.29 -0.09 -1.51 0.00 0.00 179.97 179.17 1gpk h ARG 243 N 0.49 0.55 -0.18 0.20 2.43 -0.68 -0.76 114.38 116.43 1gpk h ARG 243 Ca 0.13 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 1gpk h ARG 243 Cb 0.18 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1gpk h ARG 243 CO -0.01 0.36 -0.28 0.00 -1.51 0.00 0.00 179.97 178.53 1gpk h ARG 244 N 0.56 0.34 -0.29 0.20 3.08 -0.90 -0.63 114.38 116.74 1gpk h ARG 244 Ca 0.23 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 1gpk h ARG 244 Cb 0.10 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1gpk h ARG 244 CO -0.14 0.60 -0.02 0.00 -1.07 0.00 0.00 179.97 179.34 1gpk h ALA 245 N 1.41 0.39 -0.62 0.04 0.00 -0.55 -0.72 119.26 119.21 1gpk h ALA 245 Ca 0.04 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1gpk h ALA 245 Cb 0.66 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1gpk h ALA 245 CO 0.05 0.16 0.15 0.28 0.00 0.00 0.00 179.25 179.89 1gpk h VAL 246 N 0.30 1.25 -0.32 0.00 2.07 -0.97 -2.07 116.25 116.51 1gpk h VAL 246 Ca 0.08 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 1gpk h VAL 246 Cb 0.47 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1gpk h VAL 246 CO 0.02 0.34 -0.02 -0.08 0.02 0.00 0.00 177.57 177.85 1gpk h GLU 247 N 0.91 0.50 -0.53 1.57 4.57 -0.98 0.19 114.58 120.81 1gpk h GLU 247 Ca 0.20 -0.11 -0.06 0.00 -1.18 0.00 0.00 59.36 58.21 1gpk h GLU 247 Cb 0.35 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 1gpk h GLU 247 CO 0.00 0.54 0.09 1.25 -1.18 0.00 0.00 179.01 179.71 1gpk h LEU 248 N 0.48 0.83 -0.94 1.64 5.85 -0.71 -1.72 115.31 120.75 1gpk h LEU 248 Ca 0.10 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 1gpk h LEU 248 Cb 0.34 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1gpk h LEU 248 CO 0.01 0.88 0.19 1.23 -0.34 0.00 0.00 178.44 180.42 1gpk h GLY 249 N 0.75 1.04 1.41 3.75 0.00 -0.67 -2.17 103.07 107.19 1gpk h GLY 249 Ca 0.16 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 1gpk h GLY 249 CO 0.01 0.56 0.28 -0.09 0.00 0.00 0.00 176.54 177.29 1gpk h ARG 250 N 0.94 0.77 0.00 4.80 2.43 -0.52 0.65 114.38 123.45 1gpk h ARG 250 Ca 0.21 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1gpk h ARG 250 Cb 0.27 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1gpk h ARG 250 CO -0.01 0.59 -0.22 -0.91 -1.51 0.00 0.00 179.97 177.91 1gpk h ASN 251 N 0.78 0.00 -0.37 -3.80 2.35 -0.69 -2.93 115.58 110.92 1gpk h ASN 251 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1gpk h ASN 251 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1gpk h ASN 251 CO -0.03 0.22 0.00 0.18 -1.65 0.00 0.00 177.43 176.15 1gpk n LEU 252 N -3.50 4.29 -3.69 1.61 4.77 -0.74 -4.97 117.00 114.76 1gpk n LEU 252 Ca -0.01 -2.87 -0.22 0.00 -0.03 0.00 0.00 56.01 52.89 1gpk n LEU 252 Cb 0.38 -0.55 0.04 0.00 -2.33 0.00 0.00 43.42 40.96 1gpk n LEU 252 CO 0.33 0.68 -0.02 0.59 -1.33 0.00 0.00 177.39 177.64 1gpk n ASN 253 N -0.05 -1.77 -4.90 -1.43 5.03 -0.87 -4.98 115.26 106.30 1gpk n ASN 253 Ca 0.22 -0.79 -0.29 0.00 0.87 0.00 0.00 54.58 54.60 1gpk n ASN 253 Cb 0.92 -4.18 -0.03 0.00 -1.02 0.00 0.00 39.78 35.47 1gpk n ASN 253 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1gpk s ASN 255 N -3.10 7.00 -0.18 0.00 3.84 -1.26 -4.74 114.94 116.50 1gpk s ASN 255 Ca 0.45 1.95 0.16 0.00 0.21 0.00 0.00 52.86 55.63 1gpk s ASN 255 Cb -0.11 -2.56 0.59 0.00 -0.55 0.00 0.00 41.25 38.62 1gpk s ASN 255 CO 0.29 -0.59 1.50 0.18 -2.79 0.00 0.00 177.10 175.69 1gpk n LEU 256 N 4.91 4.31 0.15 3.21 4.77 -1.26 -3.07 117.00 130.02 1gpk n LEU 256 Ca 0.11 -2.90 0.03 0.00 -0.03 0.00 0.00 56.01 53.22 1gpk n LEU 256 Cb 0.45 -0.56 0.39 0.00 -2.33 0.00 0.00 43.42 41.38 1gpk n LEU 256 CO 0.56 0.68 0.84 0.78 -1.33 0.00 0.00 177.39 178.92 1gpk h ASN 257 N 2.46 0.14 -5.07 -1.43 4.21 -1.96 -3.46 115.58 110.46 1gpk h ASN 257 Ca 0.00 -0.03 -0.04 0.00 1.21 0.00 0.00 56.30 57.44 1gpk h ASN 257 Cb 1.52 -0.04 -0.12 0.00 -1.12 0.00 0.00 38.32 38.57 1gpk h ASN 257 CO 0.27 0.36 -0.01 -0.94 -1.29 0.00 0.00 177.43 175.82 1gpk s SER 258 N -6.92 -0.29 0.25 5.81 1.04 -1.26 -5.01 113.70 107.33 1gpk s SER 258 Ca -0.05 -0.31 -0.03 0.00 0.48 0.00 0.00 55.95 56.04 1gpk s SER 258 Cb 0.15 0.51 0.40 0.00 0.10 0.00 0.00 66.02 67.19 1gpk s SER 258 CO 0.73 -0.91 1.84 0.44 0.98 0.00 0.00 173.24 176.32 1gpk h ASP 259 N 2.28 0.84 -0.87 7.02 5.19 -1.95 0.10 116.42 129.04 1gpk h ASP 259 Ca -0.33 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.09 1gpk h ASP 259 Cb 1.27 -0.14 -0.04 0.00 0.18 0.00 0.00 39.33 40.59 1gpk h ASP 259 CO 0.44 0.51 0.48 -0.33 -3.12 0.00 0.00 179.24 177.21 1gpk h GLU 260 N 0.96 1.21 -0.10 3.56 3.07 -1.97 0.25 114.58 121.56 1gpk h GLU 260 Ca 0.41 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.36 59.11 1gpk h GLU 260 Cb 0.28 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1gpk h GLU 260 CO -0.21 0.88 -0.01 0.93 -1.40 0.00 0.00 179.01 179.20 1gpk h GLU 261 N 1.21 0.19 0.23 2.33 4.39 -1.50 -2.03 114.58 119.39 1gpk h GLU 261 Ca 0.31 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 1gpk h GLU 261 Cb 0.03 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1gpk h GLU 261 CO -0.05 0.48 -0.13 1.25 -1.16 0.00 0.00 179.01 179.40 1gpk h LEU 262 N -0.12 -0.30 -0.58 1.33 5.85 -0.80 -1.98 115.31 118.71 1gpk h LEU 262 Ca 0.03 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1gpk h LEU 262 Cb 0.40 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1gpk h LEU 262 CO 0.01 -0.21 0.37 0.40 -0.34 0.00 0.00 178.44 178.67 1gpk h ILE 263 N -0.33 1.11 -0.44 4.05 2.04 -1.01 -0.33 117.51 122.59 1gpk h ILE 263 Ca -0.03 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 65.62 1gpk h ILE 263 Cb 0.27 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 1gpk h ILE 263 CO 0.04 0.14 0.21 -0.74 0.00 0.00 0.00 178.15 177.79 1gpk h HIS 264 N 0.74 0.38 -0.02 1.37 2.76 -1.25 -0.41 115.15 118.72 1gpk h HIS 264 Ca 0.22 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.41 1gpk h HIS 264 Cb -0.04 -0.11 -0.00 0.00 1.55 0.00 0.00 27.41 28.82 1gpk h HIS 264 CO -0.05 0.19 0.01 0.00 -1.30 0.00 0.00 177.93 176.78 1gpk h LEU 266 N -0.03 0.00 -0.10 0.00 3.38 -0.70 -1.31 115.31 116.55 1gpk h LEU 266 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1gpk h LEU 266 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1gpk h LEU 266 CO -0.00 0.02 0.00 0.03 0.09 0.00 0.00 178.44 178.58 1gpk h ARG 267 N 0.00 0.00 0.00 1.13 3.08 -0.69 -3.11 114.38 114.79 1gpk h ARG 267 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1gpk h ARG 267 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1gpk h ARG 267 CO 0.00 0.00 -0.58 0.39 -1.07 0.00 0.00 179.97 178.71 1gpk n GLU 268 N -2.77 0.26 -2.66 0.04 4.71 -0.51 -4.89 120.64 114.83 1gpk n GLU 268 Ca 0.04 0.08 -0.36 0.00 -0.01 0.00 0.00 57.16 56.92 1gpk n GLU 268 Cb 0.47 -1.67 -0.05 0.00 -1.01 0.00 0.00 31.44 29.18 1gpk n GLU 268 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1gpk s LYS 269 N -3.15 4.29 0.64 3.49 -0.14 -1.14 -5.03 119.74 118.71 1gpk s LYS 269 Ca 0.07 1.39 -0.15 0.00 -1.36 0.00 0.00 55.97 55.92 1gpk s LYS 269 Cb 0.14 -2.55 -0.01 0.00 -1.68 0.00 0.00 37.83 33.73 1gpk s LYS 269 CO 0.71 -0.00 1.09 0.15 -0.76 0.00 0.00 175.35 176.54 1gpk s LYS 270 N -2.50 2.96 0.20 1.68 1.02 -1.26 -4.94 119.74 116.90 1gpk s LYS 270 Ca 0.56 1.30 -0.12 0.00 0.02 0.00 0.00 55.97 57.74 1gpk s LYS 270 Cb -0.19 -1.98 0.25 0.00 -0.52 0.00 0.00 37.83 35.39 1gpk s LYS 270 CO 0.24 -1.11 1.69 -1.35 -0.92 0.00 0.00 175.35 173.89 1gpk h PRO 271 N 0.08 0.17 0.00 -1.68 0.11 -1.96 -1.77 132.00 126.95 1gpk h PRO 271 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1gpk h PRO 271 Cb 1.24 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1gpk h PRO 271 CO 0.55 0.11 -0.06 0.37 -0.21 0.00 0.00 178.00 178.77 1gpk h GLN 272 N 0.18 0.00 -0.24 1.05 5.75 -1.99 -2.26 115.11 117.60 1gpk h GLN 272 Ca 0.29 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.67 1gpk h GLN 272 Cb 0.44 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 1gpk h GLN 272 CO -0.42 0.06 -0.35 0.93 -2.65 0.00 0.00 178.83 176.40 1gpk h GLU 273 N 0.00 0.53 -0.10 1.69 5.08 -1.68 0.17 114.58 120.27 1gpk h GLU 273 Ca -0.00 -0.24 -0.16 0.00 -1.00 0.00 0.00 59.36 57.95 1gpk h GLU 273 Cb 0.18 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.43 1gpk h GLU 273 CO 0.01 0.81 -0.57 -0.07 -1.00 0.00 0.00 179.01 178.18 1gpk h LEU 274 N 0.45 0.68 -1.08 1.33 4.07 -1.43 -3.23 115.31 116.09 1gpk h LEU 274 Ca 0.05 -0.65 -0.04 0.00 0.08 0.00 0.00 57.88 57.33 1gpk h LEU 274 Cb 0.82 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.33 1gpk h LEU 274 CO 0.07 1.22 0.23 0.40 -1.08 0.00 0.00 178.44 179.28 1gpk h ILE 275 N 0.19 1.22 0.00 1.22 2.04 -1.32 -1.39 117.51 119.47 1gpk h ILE 275 Ca -0.04 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 1gpk h ILE 275 Cb 1.21 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1gpk h ILE 275 CO 0.12 0.27 -0.01 0.44 0.00 0.00 0.00 178.15 178.98 1gpk h ASP 276 N 0.87 0.00 -0.04 1.72 3.32 -0.98 -2.94 116.42 118.36 1gpk h ASP 276 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1gpk h ASP 276 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1gpk h ASP 276 CO -0.02 0.01 0.00 1.33 -1.72 0.00 0.00 179.24 178.84 1gpk n VAL 277 N -4.49 0.14 -0.27 -1.35 0.24 -1.08 -4.76 118.33 106.76 1gpk n VAL 277 Ca -0.03 -0.57 0.04 0.00 -2.04 0.00 0.00 64.34 61.74 1gpk n VAL 277 Cb 0.09 1.07 0.14 0.00 -1.47 0.00 0.00 33.84 33.67 1gpk n VAL 277 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1gpk h GLU 278 N 1.49 0.05 0.00 7.34 4.81 -1.07 -0.57 114.58 126.63 1gpk h GLU 278 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1gpk h GLU 278 Cb 0.37 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1gpk h GLU 278 CO 0.00 0.03 0.00 0.91 -0.73 0.00 0.00 179.01 179.22 1gpk n TRP 279 N -5.43 0.05 1.09 0.92 7.02 -1.26 -3.32 117.44 116.52 1gpk n TRP 279 Ca 0.13 0.02 0.13 0.00 -1.02 0.00 0.00 57.50 56.75 1gpk n TRP 279 Cb 0.46 -0.53 0.61 0.00 -2.42 0.00 0.00 31.31 29.43 1gpk n TRP 279 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1gpk n ASN 280 N -1.55 0.00 -0.26 -0.99 3.02 -0.22 -3.64 115.26 111.62 1gpk n ASN 280 Ca 0.05 0.14 0.12 0.00 -0.03 0.00 0.00 54.58 54.86 1gpk n ASN 280 Cb 0.23 -0.37 0.26 0.00 -0.61 0.00 0.00 39.78 39.29 1gpk n ASN 280 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1gpk n VAL 281 N -1.37 0.00 -1.77 2.41 0.24 -1.21 -4.94 118.33 111.69 1gpk n VAL 281 Ca 0.10 -0.13 -0.41 0.00 -2.04 0.00 0.00 64.34 61.86 1gpk n VAL 281 Cb 0.24 0.59 0.01 0.00 -1.47 0.00 0.00 33.84 33.21 1gpk n VAL 281 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1gpk n LEU 282 N -0.66 4.98 0.11 1.34 4.77 -1.24 -4.79 117.00 121.51 1gpk n LEU 282 Ca 0.10 1.19 -0.04 0.00 -0.03 0.00 0.00 56.01 57.23 1gpk n LEU 282 Cb 0.37 -1.62 0.09 0.00 -2.33 0.00 0.00 43.42 39.93 1gpk n LEU 282 CO 0.28 0.07 0.40 1.55 -1.33 0.00 0.00 177.39 178.36 1gpk h PRO 283 N 2.72 0.06 -5.61 3.23 0.13 -1.95 -3.46 132.00 127.12 1gpk h PRO 283 Ca -0.51 -0.06 -0.46 0.00 -0.87 0.00 0.00 66.00 64.11 1gpk h PRO 283 Cb 1.25 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.24 1gpk h PRO 283 CO 0.63 0.75 -0.74 -0.06 -0.23 0.00 0.00 178.00 178.35 1gpk s PHE 284 N -3.42 1.69 -0.18 1.56 0.08 -1.26 -5.08 117.98 111.37 1gpk s PHE 284 Ca -0.02 -0.56 -0.29 0.00 0.12 0.00 0.00 56.93 56.19 1gpk s PHE 284 Cb 0.12 -0.80 -0.02 0.00 -0.57 0.00 0.00 43.02 41.74 1gpk s PHE 284 CO 0.79 0.32 1.36 0.34 -0.10 0.00 0.00 175.22 177.93 1gpk s ASP 285 N -3.10 6.81 0.25 1.36 2.15 -1.26 -4.93 116.67 117.95 1gpk s ASP 285 Ca 0.20 1.68 -0.22 0.00 0.43 0.00 0.00 52.55 54.64 1gpk s ASP 285 Cb -0.02 -2.54 0.04 0.00 -0.30 0.00 0.00 42.92 40.10 1gpk s ASP 285 CO 0.06 -0.88 0.82 -0.94 -0.17 0.00 0.00 175.17 174.06 1gpk s SER 286 N 2.51 -0.19 0.16 -0.34 1.04 -1.26 -4.62 113.70 111.00 1gpk s SER 286 Ca 0.59 -0.62 0.08 0.00 0.48 0.00 0.00 55.95 56.48 1gpk s SER 286 Cb -0.23 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.51 1gpk s SER 286 CO 0.19 -1.24 -0.18 0.27 0.98 0.00 0.00 173.24 173.27 1gpk s ILE 287 N -3.43 1.78 -1.32 -1.02 -4.36 -0.90 -4.74 121.20 107.20 1gpk s ILE 287 Ca 0.13 -1.90 -0.08 0.00 -0.26 0.00 0.00 60.65 58.53 1gpk s ILE 287 Cb -0.04 -1.82 0.01 0.00 1.25 0.00 0.00 42.46 41.86 1gpk s ILE 287 CO 0.06 -0.33 1.15 0.33 0.24 0.00 0.00 174.94 176.40 1gpk n PHE 288 N 0.31 -2.78 -4.02 1.37 -0.00 -1.26 -4.78 117.46 106.30 1gpk n PHE 288 Ca -0.13 1.00 -0.15 0.00 -0.00 0.00 0.00 57.45 58.16 1gpk n PHE 288 Cb 0.57 -4.99 -0.15 0.00 -0.00 0.00 0.00 39.48 34.91 1gpk n PHE 288 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1gpk s ARG 289 N -6.19 0.30 0.09 -4.13 1.81 -1.26 -4.66 118.95 104.91 1gpk s ARG 289 Ca 0.52 -0.06 0.08 0.00 -1.72 0.00 0.00 55.73 54.55 1gpk s ARG 289 Cb -0.23 -0.35 -0.03 0.00 -0.45 0.00 0.00 34.95 33.89 1gpk s ARG 289 CO 0.72 0.00 -0.21 -0.06 -0.68 0.00 0.00 175.30 175.07 1gpk s PHE 290 N 0.30 1.85 0.02 -0.53 0.08 -1.26 -5.07 117.98 113.36 1gpk s PHE 290 Ca -0.03 -0.41 -0.23 0.00 0.12 0.00 0.00 56.93 56.38 1gpk s PHE 290 Cb -0.06 -1.03 -0.13 0.00 -0.57 0.00 0.00 43.02 41.24 1gpk s PHE 290 CO -0.01 0.20 1.15 0.77 -0.10 0.00 0.00 175.22 177.23 1gpk h SER 291 N 4.21 -0.72 -3.54 1.36 0.02 -1.89 -3.42 113.55 109.57 1gpk h SER 291 Ca -0.46 0.02 -0.71 0.00 -0.84 0.00 0.00 61.79 59.81 1gpk h SER 291 Cb 1.18 0.19 -0.27 0.00 0.14 0.00 0.00 62.40 63.63 1gpk h SER 291 CO 0.40 -0.44 -0.51 -0.36 -1.14 0.00 0.00 176.83 174.79 1gpk s PHE 292 N -4.53 3.29 0.29 3.45 0.08 -1.26 -5.00 117.98 114.30 1gpk s PHE 292 Ca -0.12 -1.33 0.02 0.00 0.12 0.00 0.00 56.93 55.62 1gpk s PHE 292 Cb 0.01 -2.66 -0.05 0.00 -0.57 0.00 0.00 43.02 39.75 1gpk s PHE 292 CO 0.37 -0.76 0.09 0.14 -0.10 0.00 0.00 175.22 174.96 1gpk s VAL 293 N 1.46 0.75 0.59 -0.44 -7.23 -1.26 -4.50 120.40 109.77 1gpk s VAL 293 Ca 0.02 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.01 1gpk s VAL 293 Cb -0.21 -2.66 -0.07 0.00 0.56 0.00 0.00 36.38 34.00 1gpk s VAL 293 CO 0.04 0.00 0.67 -2.65 -0.31 0.00 0.00 175.10 172.84 1gpk n PRO 294 N -0.57 0.61 -5.25 4.82 -0.02 -1.24 -4.68 135.00 128.67 1gpk n PRO 294 Ca -0.01 0.24 -0.30 0.00 -2.02 0.00 0.00 63.50 61.41 1gpk n PRO 294 Cb 0.66 -1.86 -0.16 0.00 -0.02 0.00 0.00 33.50 32.12 1gpk n PRO 294 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1gpk s VAL 295 N -1.67 1.98 -1.01 -1.45 0.11 -1.26 -1.51 120.40 115.59 1gpk s VAL 295 Ca 0.71 -1.06 -0.23 0.00 -2.93 0.00 0.00 61.98 58.47 1gpk s VAL 295 Cb -0.43 -1.65 0.02 0.00 -1.53 0.00 0.00 36.38 32.80 1gpk s VAL 295 CO 0.52 0.56 1.60 -0.63 -3.33 0.00 0.00 175.10 173.81 1gpk s ILE 296 N -0.46 3.80 -1.14 7.04 -1.09 -0.89 -4.78 121.20 123.69 1gpk s ILE 296 Ca 0.06 -0.72 0.24 0.00 -2.23 0.00 0.00 60.65 57.99 1gpk s ILE 296 Cb -0.11 -4.79 -0.05 0.00 -1.58 0.00 0.00 42.46 35.93 1gpk s ILE 296 CO 0.00 -1.68 1.24 -0.90 -1.23 0.00 0.00 174.94 172.38 1gpk n ASP 297 N 10.25 0.81 0.00 3.58 5.75 -1.26 -4.24 116.55 131.44 1gpk n ASP 297 Ca 0.36 -0.64 0.00 0.00 -0.01 0.00 0.00 54.79 54.50 1gpk n ASP 297 Cb 0.50 0.50 0.00 0.00 -1.03 0.00 0.00 41.12 41.09 1gpk n ASP 297 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1gpk n GLY 298 N 1.48 1.26 0.24 6.12 0.00 0.08 -4.85 105.19 109.52 1gpk n GLY 298 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1gpk n GLY 298 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gpk n GLU 299 N -2.00 0.00 -0.31 1.61 4.71 -1.26 -4.37 120.64 119.02 1gpk n GLU 299 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.16 1gpk n GLU 299 Cb 0.00 -0.05 0.19 0.00 -1.01 0.00 0.00 31.44 30.57 1gpk n GLU 299 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1gpk h PHE 300 N 0.00 1.11 -3.74 -0.32 3.04 -1.92 -3.32 116.94 111.80 1gpk h PHE 300 Ca 0.00 0.03 -0.68 0.00 3.98 0.00 0.00 57.97 61.30 1gpk h PHE 300 Cb 0.00 -0.37 -0.35 0.00 2.56 0.00 0.00 35.95 37.78 1gpk h PHE 300 CO 0.00 0.66 -0.71 -0.06 -2.02 0.00 0.00 178.31 176.18 1gpk s PHE 301 N -5.98 3.41 0.19 0.41 0.08 -1.26 -4.34 117.98 110.48 1gpk s PHE 301 Ca -0.12 -2.29 -0.13 0.00 0.12 0.00 0.00 56.93 54.52 1gpk s PHE 301 Cb 0.19 -2.38 0.21 0.00 -0.57 0.00 0.00 43.02 40.47 1gpk s PHE 301 CO 0.80 -0.88 1.69 -1.35 -0.10 0.00 0.00 175.22 175.39 1gpk h PRO 302 N 7.87 0.15 0.00 0.24 0.11 -1.76 0.27 132.00 138.87 1gpk h PRO 302 Ca -0.16 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.82 1gpk h PRO 302 Cb 1.05 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 1gpk h PRO 302 CO 0.54 0.10 -0.12 0.25 -0.21 0.00 0.00 178.00 178.55 1gpk n THR 303 N -5.21 0.00 -1.59 -1.15 -2.24 -1.26 -4.34 114.28 98.49 1gpk n THR 303 Ca 0.06 -0.62 -0.37 0.00 -2.27 0.00 0.00 64.05 60.86 1gpk n THR 303 Cb 0.28 0.30 0.07 0.00 -2.10 0.00 0.00 70.33 68.88 1gpk n THR 303 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1gpk n SER 304 N -2.62 1.12 -0.31 3.42 3.41 -1.26 -4.82 113.62 112.55 1gpk n SER 304 Ca 0.02 0.77 -0.04 0.00 -0.26 0.00 0.00 58.87 59.36 1gpk n SER 304 Cb 0.15 -1.45 0.08 0.00 -0.26 0.00 0.00 64.21 62.73 1gpk n SER 304 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1gpk h LEU 305 N 0.29 1.02 -0.67 1.04 3.38 -1.98 -2.25 115.31 116.13 1gpk h LEU 305 Ca -0.49 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.38 1gpk h LEU 305 Cb 1.35 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 1gpk h LEU 305 CO 0.50 0.80 0.33 -0.08 0.09 0.00 0.00 178.44 180.09 1gpk h GLU 306 N 1.15 0.96 -0.05 1.13 4.57 -1.99 0.12 114.58 120.46 1gpk h GLU 306 Ca 0.30 -0.13 -0.11 0.00 -1.18 0.00 0.00 59.36 58.23 1gpk h GLU 306 Cb -0.01 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.39 1gpk h GLU 306 CO -0.05 0.75 -0.47 0.66 -1.18 0.00 0.00 179.01 178.72 1gpk h SER 307 N 0.92 0.14 -0.24 1.04 4.64 -1.88 0.12 113.55 118.28 1gpk h SER 307 Ca 0.23 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.43 1gpk h SER 307 Cb 0.10 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1gpk h SER 307 CO -0.03 0.59 -0.09 0.24 -0.87 0.00 0.00 176.83 176.67 1gpk h MET 308 N 0.10 0.49 -0.73 4.77 2.86 -0.82 -0.70 114.93 120.91 1gpk h MET 308 Ca 0.00 -0.20 -0.04 0.00 -2.06 0.00 0.00 59.70 57.40 1gpk h MET 308 Cb 0.87 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.48 1gpk h MET 308 CO 0.07 0.74 0.29 -0.07 1.06 0.00 0.00 176.91 179.00 1gpk h LEU 309 N 0.21 1.00 -0.66 1.22 3.38 -0.57 -0.15 115.31 119.74 1gpk h LEU 309 Ca 0.06 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1gpk h LEU 309 Cb 0.58 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1gpk h LEU 309 CO 0.03 0.90 -0.35 0.78 0.09 0.00 0.00 178.44 179.89 1gpk h ASN 310 N 1.04 0.69 0.24 -0.43 2.35 -0.87 -3.05 115.58 115.55 1gpk h ASN 310 Ca 0.24 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1gpk h ASN 310 Cb 0.21 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1gpk h ASN 310 CO -0.02 0.98 -0.11 -1.54 -1.65 0.00 0.00 177.43 175.09 1gpk n SER 311 N -4.06 0.70 -0.46 5.81 3.41 -0.28 -4.90 113.62 113.84 1gpk n SER 311 Ca -0.01 -0.82 -0.05 0.00 -0.26 0.00 0.00 58.87 57.72 1gpk n SER 311 Cb 0.49 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 1gpk n SER 311 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gpk n GLY 312 N 1.25 0.62 3.34 5.00 0.00 -0.86 -4.93 105.19 109.61 1gpk n GLY 312 Ca 0.16 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 1gpk n GLY 312 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gpk n ASN 313 N 1.10 4.78 -3.64 1.61 5.15 -0.12 -4.86 115.26 119.28 1gpk n ASN 313 Ca -0.06 -2.93 -0.04 0.00 -0.60 0.00 0.00 54.58 50.95 1gpk n ASN 313 Cb 0.27 -1.68 -0.01 0.00 -0.53 0.00 0.00 39.78 37.83 1gpk n ASN 313 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1gpk s PHE 314 N 3.28 -0.18 0.15 1.20 -0.12 -1.26 -4.72 117.98 116.32 1gpk s PHE 314 Ca 0.50 -0.02 -0.31 0.00 -0.05 0.00 0.00 56.93 57.05 1gpk s PHE 314 Cb 0.05 0.58 -0.10 0.00 -0.63 0.00 0.00 43.02 42.92 1gpk s PHE 314 CO 0.03 -0.60 1.69 0.21 -0.05 0.00 0.00 175.22 176.49 1gpk s LYS 315 N -3.02 4.17 -0.36 1.99 2.20 0.39 -4.97 119.74 120.14 1gpk s LYS 315 Ca 0.10 2.47 -0.12 0.00 -0.36 0.00 0.00 55.97 58.07 1gpk s LYS 315 Cb -0.00 -3.32 0.01 0.00 -1.51 0.00 0.00 37.83 33.00 1gpk s LYS 315 CO -0.03 -0.72 0.22 0.15 -0.36 0.00 0.00 175.35 174.61 1gpk s LYS 316 N 1.80 3.17 0.00 4.03 1.02 -1.26 -4.97 119.74 123.53 1gpk s LYS 316 Ca 0.75 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.88 1gpk s LYS 316 Cb -0.45 -3.76 0.00 0.00 -0.52 0.00 0.00 37.83 33.10 1gpk s LYS 316 CO 0.33 -0.57 0.00 -2.37 -0.92 0.00 0.00 175.35 171.82 1gpk n THR 317 N 5.05 0.00 -3.92 2.17 5.66 -1.26 -4.78 114.28 117.20 1gpk n THR 317 Ca -0.12 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.56 1gpk n THR 317 Cb 0.48 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.22 1gpk n THR 317 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1gpk s GLN 318 N 1.27 3.41 0.05 1.09 1.11 -1.26 -1.02 119.66 124.31 1gpk s GLN 318 Ca 0.00 -0.41 0.02 0.00 0.01 0.00 0.00 55.36 54.98 1gpk s GLN 318 Cb 0.00 -3.04 -0.03 0.00 -1.01 0.00 0.00 33.01 28.93 1gpk s GLN 318 CO 0.00 0.63 -0.06 0.96 0.01 0.00 0.00 175.29 176.83 1gpk s ILE 319 N -1.43 0.46 -0.06 1.08 -4.36 -0.04 -3.06 121.20 113.80 1gpk s ILE 319 Ca 0.32 -1.24 -0.00 0.00 -0.26 0.00 0.00 60.65 59.47 1gpk s ILE 319 Cb -0.13 -0.78 0.02 0.00 1.25 0.00 0.00 42.46 42.83 1gpk s ILE 319 CO 0.24 -0.53 -0.02 -0.22 0.24 0.00 0.00 174.94 174.65 1gpk s LEU 320 N -1.89 1.01 0.22 0.37 0.20 -0.62 -1.60 118.68 116.38 1gpk s LEU 320 Ca -0.06 -0.11 -0.16 0.00 0.69 0.00 0.00 54.13 54.48 1gpk s LEU 320 Cb -0.06 -0.45 0.01 0.00 -0.43 0.00 0.00 46.19 45.26 1gpk s LEU 320 CO -0.01 -0.12 0.52 -1.48 -0.29 0.00 0.00 176.35 174.97 1gpk s LEU 321 N 1.39 0.16 0.00 -0.68 2.34 -0.44 -1.18 118.68 120.27 1gpk s LEU 321 Ca -0.04 -0.67 -0.15 0.00 0.06 0.00 0.00 54.13 53.33 1gpk s LEU 321 Cb -0.13 2.05 0.05 0.00 -0.56 0.00 0.00 46.19 47.60 1gpk s LEU 321 CO -0.03 -1.12 0.68 0.61 -1.06 0.00 0.00 176.35 175.43 1gpk n GLY 322 N -0.36 0.30 3.23 -3.48 0.00 -0.87 -1.59 105.19 102.41 1gpk n GLY 322 Ca -0.06 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 1gpk n GLY 322 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1gpk s VAL 323 N -2.03 0.15 0.21 1.61 -7.23 -1.05 -0.96 120.40 111.09 1gpk s VAL 323 Ca 0.16 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.38 1gpk s VAL 323 Cb -0.00 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.38 1gpk s VAL 323 CO -0.01 -0.01 0.24 0.20 -0.31 0.00 0.00 175.10 175.21 1gpk s ASN 324 N -3.20 5.90 0.20 4.85 0.01 -1.26 -0.28 114.94 121.16 1gpk s ASN 324 Ca 0.38 -0.05 -0.11 0.00 -0.71 0.00 0.00 52.86 52.38 1gpk s ASN 324 Cb 0.07 -1.64 0.17 0.00 0.41 0.00 0.00 41.25 40.26 1gpk s ASN 324 CO 0.12 -0.00 1.84 0.50 -1.51 0.00 0.00 177.10 178.05 1gpk h LYS 325 N 1.77 0.79 -2.25 -0.60 3.64 -1.39 -3.32 116.57 115.22 1gpk h LYS 325 Ca -0.49 -0.05 -0.59 0.00 -1.27 0.00 0.00 60.65 58.25 1gpk h LYS 325 Cb 1.22 -0.18 -0.42 0.00 -0.41 0.00 0.00 32.23 32.44 1gpk h LYS 325 CO 0.63 0.52 -0.66 -0.25 -2.27 0.00 0.00 179.45 177.43 1gpk n ASP 326 N -4.69 4.13 -0.16 4.20 8.00 -0.26 -4.89 116.55 122.89 1gpk n ASP 326 Ca 0.07 -3.60 0.09 0.00 0.71 0.00 0.00 54.79 52.06 1gpk n ASP 326 Cb 0.08 -0.59 0.40 0.00 -0.02 0.00 0.00 41.12 40.99 1gpk n ASP 326 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1gpk h GLU 327 N 3.26 0.62 0.00 -1.24 4.39 -1.71 -3.15 114.58 116.75 1gpk h GLU 327 Ca 0.14 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.71 1gpk h GLU 327 Cb 0.56 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1gpk h GLU 327 CO 0.81 0.41 -0.45 0.78 -1.16 0.00 0.00 179.01 179.40 1gpk h GLY 328 N 0.63 0.00 -0.14 -3.84 0.00 -1.84 -3.39 103.07 94.49 1gpk h GLY 328 Ca 0.32 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.79 1gpk h GLY 328 CO -0.11 0.00 0.02 1.48 0.00 0.00 0.00 176.54 177.93 1gpk h SER 329 N 0.00 -0.27 -0.78 0.19 4.64 -1.78 -2.36 113.55 113.19 1gpk h SER 329 Ca -0.00 0.16 0.10 0.00 -0.47 0.00 0.00 61.79 61.58 1gpk h SER 329 Cb 1.28 0.28 -0.08 0.00 -0.31 0.00 0.00 62.40 63.58 1gpk h SER 329 CO 0.06 -0.12 0.41 0.15 -0.87 0.00 0.00 176.83 176.45 1gpk h PHE 330 N 0.13 0.73 0.00 4.77 3.04 -1.81 -1.90 116.94 121.90 1gpk h PHE 330 Ca 0.35 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 62.27 1gpk h PHE 330 Cb 0.59 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.88 1gpk h PHE 330 CO -0.37 0.26 -0.28 0.74 -2.02 0.00 0.00 178.31 176.63 1gpk h PHE 331 N 0.67 0.00 0.01 0.41 -1.00 -1.70 -2.66 116.94 112.67 1gpk h PHE 331 Ca 0.39 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.90 1gpk h PHE 331 Cb 0.43 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.01 1gpk h PHE 331 CO -0.09 0.28 -1.06 -0.07 -1.61 0.00 0.00 178.31 175.77 1gpk h LEU 332 N 0.00 0.92 -0.31 1.54 3.38 -1.17 -2.88 115.31 116.78 1gpk h LEU 332 Ca -0.00 -0.74 0.01 0.00 0.09 0.00 0.00 57.88 57.23 1gpk h LEU 332 Cb 0.96 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1gpk h LEU 332 CO 0.04 1.54 0.19 0.25 0.09 0.00 0.00 178.44 180.55 1gpk h LEU 333 N 0.39 0.33 -0.70 1.67 5.85 -1.29 0.42 115.31 121.98 1gpk h LEU 333 Ca -0.13 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1gpk h LEU 333 Cb 1.71 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.67 1gpk h LEU 333 CO 0.21 0.24 0.00 1.88 -0.34 0.00 0.00 178.44 180.42 1gpk h TYR 334 N 0.40 0.00 0.00 1.25 -1.99 -1.53 -3.40 116.97 111.69 1gpk h TYR 334 Ca 0.12 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.85 1gpk h TYR 334 Cb -0.03 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.70 1gpk h TYR 334 CO -0.07 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.50 1gpk n GLY 335 N 0.46 1.00 3.75 3.88 0.00 -1.09 -5.11 105.19 108.09 1gpk n GLY 335 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1gpk n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gpk s ALA 336 N 0.00 3.66 0.28 4.61 0.00 0.15 -5.02 121.76 125.43 1gpk s ALA 336 Ca 0.00 -0.69 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 1gpk s ALA 336 Cb 0.00 -2.01 -0.12 0.00 0.00 0.00 0.00 23.12 20.99 1gpk s ALA 336 CO 0.00 0.33 1.46 -0.35 0.00 0.00 0.00 175.76 177.20 1gpk n PRO 337 N 2.97 2.32 0.00 0.00 -0.04 -1.26 -2.48 135.00 136.50 1gpk n PRO 337 Ca -0.17 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 1gpk n PRO 337 Cb 0.53 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 1gpk n PRO 337 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gpk n GLY 338 N 1.89 3.36 3.83 0.55 0.00 -1.26 -4.84 105.19 108.72 1gpk n GLY 338 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1gpk n GLY 338 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gpk s PHE 339 N -2.90 3.72 -0.01 1.61 0.40 -1.04 -4.61 117.98 115.16 1gpk s PHE 339 Ca 0.00 0.98 -0.08 0.00 -0.60 0.00 0.00 56.93 57.23 1gpk s PHE 339 Cb 0.00 -2.29 0.00 0.00 0.51 0.00 0.00 43.02 41.24 1gpk s PHE 339 CO 0.00 0.63 0.16 -1.12 0.70 0.00 0.00 175.22 175.59 1gpk s SER 340 N -1.02 -0.01 0.28 1.36 0.01 -1.26 -4.91 113.70 108.15 1gpk s SER 340 Ca 0.24 -0.13 0.05 0.00 1.31 0.00 0.00 55.95 57.42 1gpk s SER 340 Cb -0.17 0.23 0.41 0.00 0.21 0.00 0.00 66.02 66.71 1gpk s SER 340 CO 0.13 -0.35 1.69 0.50 0.41 0.00 0.00 173.24 175.62 1gpk h LYS 341 N 4.39 0.33 -0.68 12.44 3.64 -1.98 -3.24 116.57 131.47 1gpk h LYS 341 Ca -0.30 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1gpk h LYS 341 Cb 1.19 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1gpk h LYS 341 CO 0.40 0.67 0.00 -0.25 -2.27 0.00 0.00 179.45 178.00 1gpk n ASP 342 N -4.04 4.01 -4.48 4.20 8.00 -1.26 -4.42 116.55 118.56 1gpk n ASP 342 Ca -0.01 -2.16 -0.27 0.00 0.71 0.00 0.00 54.79 53.06 1gpk n ASP 342 Cb 0.47 -0.50 -0.09 0.00 -0.02 0.00 0.00 41.12 40.98 1gpk n ASP 342 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1gpk s SER 343 N -0.95 3.21 0.00 -2.24 1.04 -1.22 -5.01 113.70 108.52 1gpk s SER 343 Ca 0.47 -1.51 0.25 0.00 0.48 0.00 0.00 55.95 55.64 1gpk s SER 343 Cb 0.27 0.13 1.13 0.00 0.10 0.00 0.00 66.02 67.65 1gpk s SER 343 CO 0.28 -0.71 1.81 -0.62 0.98 0.00 0.00 173.24 174.99 1gpk n GLU 344 N -0.94 0.13 -3.75 4.02 4.71 -1.26 -4.79 120.64 118.77 1gpk n GLU 344 Ca -0.08 0.07 -0.24 0.00 -0.01 0.00 0.00 57.16 56.90 1gpk n GLU 344 Cb 0.66 -1.50 0.04 0.00 -1.01 0.00 0.00 31.44 29.63 1gpk n GLU 344 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1gpk n SER 345 N -1.42 -2.44 -4.72 1.62 7.64 -1.26 -4.88 113.62 108.15 1gpk n SER 345 Ca 0.08 -0.79 -0.42 0.00 1.01 0.00 0.00 58.87 58.76 1gpk n SER 345 Cb 0.26 -4.10 -0.03 0.00 -1.01 0.00 0.00 64.21 59.33 1gpk n SER 345 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1gpk s LYS 346 N -6.15 4.40 -0.15 1.43 1.02 -1.26 -4.70 119.74 114.32 1gpk s LYS 346 Ca 0.21 1.95 -0.06 0.00 0.02 0.00 0.00 55.97 58.09 1gpk s LYS 346 Cb -0.10 -3.26 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 1gpk s LYS 346 CO 0.81 -0.29 0.07 0.42 -0.92 0.00 0.00 175.35 175.45 1gpk s ILE 347 N 0.67 4.91 0.85 2.17 -1.09 -0.63 -4.95 121.20 123.13 1gpk s ILE 347 Ca 0.59 -0.00 -0.12 0.00 -2.23 0.00 0.00 60.65 58.89 1gpk s ILE 347 Cb -0.34 -3.17 0.10 0.00 -1.58 0.00 0.00 42.46 37.48 1gpk s ILE 347 CO 0.33 0.53 1.11 -0.94 -1.23 0.00 0.00 174.94 174.74 1gpk s SER 348 N -0.23 4.00 0.39 3.58 1.04 -1.26 -4.21 113.70 117.02 1gpk s SER 348 Ca 0.08 1.17 0.08 0.00 0.48 0.00 0.00 55.95 57.77 1gpk s SER 348 Cb -0.12 -1.84 0.80 0.00 0.10 0.00 0.00 66.02 64.96 1gpk s SER 348 CO 0.01 -2.26 1.96 -0.09 0.98 0.00 0.00 173.24 173.84 1gpk h ARG 349 N -1.29 0.35 -0.09 4.02 9.65 -1.92 -1.84 114.38 123.25 1gpk h ARG 349 Ca -0.49 -0.06 -0.18 0.00 -1.10 0.00 0.00 59.98 58.16 1gpk h ARG 349 Cb 1.30 -0.06 0.01 0.00 -1.39 0.00 0.00 29.97 29.83 1gpk h ARG 349 CO 0.60 0.38 -0.63 1.49 2.80 0.00 0.00 179.97 184.61 1gpk h GLU 350 N 0.34 0.59 0.00 0.20 4.81 -1.97 -2.79 114.58 115.76 1gpk h GLU 350 Ca 0.08 -0.51 -0.07 0.00 -0.13 0.00 0.00 59.36 58.73 1gpk h GLU 350 Cb 0.23 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1gpk h GLU 350 CO 0.01 1.13 -0.33 -0.44 -0.73 0.00 0.00 179.01 178.65 1gpk h ASP 351 N 0.21 0.00 -0.17 1.04 3.32 -1.85 -1.72 116.42 117.26 1gpk h ASP 351 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1gpk h ASP 351 Cb 1.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1gpk h ASP 351 CO 0.13 0.33 0.11 0.15 -1.72 0.00 0.00 179.24 178.23 1gpk h PHE 352 N 0.00 0.21 -0.72 4.55 3.57 -1.26 0.25 116.94 123.54 1gpk h PHE 352 Ca -0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1gpk h PHE 352 Cb 0.59 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 1gpk h PHE 352 CO 0.00 0.16 0.31 0.52 -2.23 0.00 0.00 178.31 177.07 1gpk h MET 353 N 0.21 1.04 -0.62 1.11 2.86 -1.16 -0.33 114.93 118.04 1gpk h MET 353 Ca 0.06 -0.16 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 1gpk h MET 353 Cb 0.00 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.45 1gpk h MET 353 CO -0.01 0.83 0.10 0.77 1.06 0.00 0.00 176.91 179.66 1gpk h SER 354 N 1.03 0.97 -0.44 1.22 0.02 -0.83 -2.33 113.55 113.18 1gpk h SER 354 Ca 0.24 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1gpk h SER 354 Cb 0.16 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1gpk h SER 354 CO -0.03 0.97 0.22 1.23 -1.14 0.00 0.00 176.83 178.09 1gpk h GLY 355 N 1.03 0.68 0.80 -3.77 0.00 0.49 -1.69 103.07 100.61 1gpk h GLY 355 Ca 0.19 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.24 1gpk h GLY 355 CO 0.01 0.31 0.42 -2.08 0.00 0.00 0.00 176.54 175.21 1gpk h VAL 356 N 0.58 1.05 -0.24 4.60 2.07 -0.87 0.98 116.25 124.41 1gpk h VAL 356 Ca 0.15 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1gpk h VAL 356 Cb 0.10 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1gpk h VAL 356 CO -0.02 0.15 0.15 0.50 0.02 0.00 0.00 177.57 178.37 1gpk h LYS 357 N 0.81 0.32 -0.01 1.57 1.63 -1.10 -1.46 116.57 118.34 1gpk h LYS 357 Ca 0.29 -0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.99 1gpk h LYS 357 Cb 0.08 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 1gpk h LYS 357 CO -0.13 0.23 -0.36 -0.07 -3.45 0.00 0.00 179.45 175.67 1gpk h LEU 358 N 0.32 0.01 -0.27 5.20 3.38 -0.74 -3.04 115.31 120.16 1gpk h LEU 358 Ca 0.09 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.87 1gpk h LEU 358 Cb -0.02 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1gpk h LEU 358 CO -0.02 0.37 -0.88 0.28 0.09 0.00 0.00 178.44 178.28 1gpk h SER 359 N 0.01 0.09 -2.13 -0.43 0.02 -0.36 -2.40 113.55 108.36 1gpk h SER 359 Ca -0.00 -0.08 -0.57 0.00 -0.84 0.00 0.00 61.79 60.30 1gpk h SER 359 Cb 0.64 -0.03 -0.41 0.00 0.14 0.00 0.00 62.40 62.74 1gpk h SER 359 CO 0.05 0.92 -0.84 0.52 -1.14 0.00 0.00 176.83 176.34 1gpk n VAL 360 N -3.57 1.30 -0.21 2.27 0.31 -0.59 -4.91 118.33 112.93 1gpk n VAL 360 Ca -0.02 -4.88 0.16 0.00 -0.01 0.00 0.00 64.34 59.60 1gpk n VAL 360 Cb 0.82 -1.62 0.48 0.00 -0.91 0.00 0.00 33.84 32.61 1gpk n VAL 360 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1gpk h PRO 361 N 3.69 0.45 -0.03 5.55 0.13 -1.69 -2.02 132.00 138.07 1gpk h PRO 361 Ca 0.13 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1gpk h PRO 361 Cb 0.73 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1gpk h PRO 361 CO 0.68 0.30 0.00 -2.39 -0.23 0.00 0.00 178.00 176.36 1gpk n HIS 362 N -4.50 0.04 -3.77 1.56 1.44 -1.26 -4.89 115.22 103.84 1gpk n HIS 362 Ca 0.17 -0.02 -0.34 0.00 -2.01 0.00 0.00 57.72 55.51 1gpk n HIS 362 Cb 0.58 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.64 1gpk n HIS 362 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1gpk s ALA 363 N -1.96 3.86 0.79 1.59 0.00 -0.76 -5.10 121.76 120.18 1gpk s ALA 363 Ca 0.20 -0.60 -0.08 0.00 0.00 0.00 0.00 51.96 51.48 1gpk s ALA 363 Cb 0.09 -2.05 0.12 0.00 0.00 0.00 0.00 23.12 21.29 1gpk s ALA 363 CO 0.15 0.67 1.11 0.54 0.00 0.00 0.00 175.76 178.23 1gpk s ASN 364 N -1.83 4.15 0.31 0.00 2.20 -1.26 -4.77 114.94 113.73 1gpk s ASN 364 Ca 0.29 0.19 0.06 0.00 -0.94 0.00 0.00 52.86 52.46 1gpk s ASN 364 Cb -0.13 -0.58 0.73 0.00 -2.00 0.00 0.00 41.25 39.27 1gpk s ASN 364 CO 0.18 -2.03 1.80 0.44 -2.94 0.00 0.00 177.10 174.55 1gpk h ASP 365 N -0.92 0.79 -0.70 3.54 5.19 -1.99 0.27 116.42 122.61 1gpk h ASP 365 Ca -0.42 0.08 -0.07 0.00 -0.62 0.00 0.00 57.03 55.99 1gpk h ASP 365 Cb 1.28 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.69 1gpk h ASP 365 CO 0.48 0.32 0.15 0.25 -3.12 0.00 0.00 179.24 177.32 1gpk h LEU 366 N 0.79 1.08 -0.54 1.55 5.85 -1.99 -0.79 115.31 121.26 1gpk h LEU 366 Ca 0.55 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 1gpk h LEU 366 Cb 0.81 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1gpk h LEU 366 CO -0.33 1.05 0.18 1.23 -0.34 0.00 0.00 178.44 180.24 1gpk h GLY 367 N 1.07 0.90 1.05 3.75 0.00 -1.36 -1.01 103.07 107.47 1gpk h GLY 367 Ca 0.22 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1gpk h GLY 367 CO 0.01 0.49 0.37 1.41 0.00 0.00 0.00 176.54 178.81 1gpk h LEU 368 N 0.75 1.11 -0.64 3.11 3.38 -0.84 -1.84 115.31 120.34 1gpk h LEU 368 Ca 0.18 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1gpk h LEU 368 Cb 0.26 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1gpk h LEU 368 CO -0.01 0.95 0.19 0.44 0.09 0.00 0.00 178.44 180.11 1gpk h ASP 369 N 1.19 0.94 -0.45 -0.43 3.32 -0.81 -0.95 116.42 119.23 1gpk h ASP 369 Ca 0.28 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 57.13 1gpk h ASP 369 Cb 0.16 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 1gpk h ASP 369 CO -0.03 0.90 0.28 0.00 -1.72 0.00 0.00 179.24 178.68 1gpk h ALA 370 N 1.07 0.58 0.14 3.45 0.00 -0.74 0.58 119.26 124.34 1gpk h ALA 370 Ca 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1gpk h ALA 370 Cb 0.30 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1gpk h ALA 370 CO -0.01 -0.01 -0.07 0.28 0.00 0.00 0.00 179.25 179.44 1gpk h VAL 371 N 0.57 0.92 -0.68 0.00 2.07 -1.11 -1.23 116.25 116.80 1gpk h VAL 371 Ca 0.18 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.51 1gpk h VAL 371 Cb -0.02 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 1gpk h VAL 371 CO -0.06 0.07 0.33 0.74 0.02 0.00 0.00 177.57 178.66 1gpk h THR 372 N -0.32 0.85 -0.41 2.57 2.02 -0.95 -1.25 112.91 115.40 1gpk h THR 372 Ca -0.02 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1gpk h THR 372 Cb 0.26 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1gpk h THR 372 CO 0.03 0.10 0.17 0.25 0.37 0.00 0.00 175.52 176.44 1gpk h LEU 373 N 0.56 0.57 -1.59 2.58 5.85 -0.77 -1.97 115.31 120.55 1gpk h LEU 373 Ca 0.33 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1gpk h LEU 373 Cb 0.35 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1gpk h LEU 373 CO -0.26 0.58 0.00 -0.61 -0.34 0.00 0.00 178.44 177.81 1gpk h GLN 374 N 0.53 0.26 -0.38 1.25 5.75 -0.26 -3.09 115.11 119.17 1gpk h GLN 374 Ca 0.14 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 1gpk h GLN 374 Cb 0.18 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.69 1gpk h GLN 374 CO -0.01 0.28 0.00 0.66 -2.65 0.00 0.00 178.83 177.11 1gpk n TYR 375 N -4.39 0.60 -4.27 3.99 4.02 -0.57 -4.98 117.16 111.57 1gpk n TYR 375 Ca -0.00 -0.55 -0.35 0.00 -0.01 0.00 0.00 57.90 56.99 1gpk n TYR 375 Cb 0.17 -0.07 -0.10 0.00 -0.02 0.00 0.00 39.34 39.32 1gpk n TYR 375 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1gpk s THR 376 N -1.28 4.40 -0.59 -0.72 2.01 -0.75 -4.79 115.64 113.92 1gpk s THR 376 Ca 0.29 -0.20 -0.19 0.00 0.31 0.00 0.00 61.69 61.90 1gpk s THR 376 Cb 0.17 -2.90 0.10 0.00 0.01 0.00 0.00 72.50 69.87 1gpk s THR 376 CO 0.16 0.55 0.73 -0.62 -0.69 0.00 0.00 174.62 174.76 1gpk s ASP 377 N -0.32 6.18 0.00 3.53 -1.08 -1.26 -4.91 116.67 118.81 1gpk s ASP 377 Ca 0.07 -1.33 0.16 0.00 -0.52 0.00 0.00 52.55 50.92 1gpk s ASP 377 Cb -0.12 -2.32 0.87 0.00 -1.46 0.00 0.00 42.92 39.90 1gpk s ASP 377 CO 0.02 -1.14 1.39 0.79 0.52 0.00 0.00 175.17 176.75 1gpk n TRP 378 N 6.50 0.00 1.26 -5.34 7.02 -1.26 -1.49 117.44 124.13 1gpk n TRP 378 Ca -0.09 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.52 1gpk n TRP 378 Cb 0.43 -0.12 0.32 0.00 -2.42 0.00 0.00 31.31 29.52 1gpk n TRP 378 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 1gpk n MET 379 N -1.12 1.86 -2.68 -0.99 2.81 -1.26 -4.42 117.12 111.30 1gpk n MET 379 Ca 0.10 -1.32 -0.06 0.00 -1.81 0.00 0.00 57.70 54.61 1gpk n MET 379 Cb 0.08 -1.47 0.07 0.00 -0.71 0.00 0.00 33.22 31.19 1gpk n MET 379 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1gpk n ASP 380 N 0.58 -1.63 0.03 7.83 2.03 -0.61 -5.02 116.55 119.78 1gpk n ASP 380 Ca 0.16 -2.18 0.05 0.00 0.52 0.00 0.00 54.79 53.34 1gpk n ASP 380 Cb 0.46 1.04 0.23 0.00 -0.72 0.00 0.00 41.12 42.12 1gpk n ASP 380 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1gpk n ASP 381 N -0.53 0.14 -1.09 1.67 5.75 -0.56 -2.29 116.55 119.64 1gpk n ASP 381 Ca -0.12 0.55 0.07 0.00 -0.01 0.00 0.00 54.79 55.28 1gpk n ASP 381 Cb 0.77 -0.57 0.28 0.00 -1.03 0.00 0.00 41.12 40.56 1gpk n ASP 381 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1gpk n ASN 382 N -1.67 4.09 -4.61 -1.12 3.02 -1.26 -4.69 115.26 109.01 1gpk n ASN 382 Ca 0.01 -3.07 -0.43 0.00 -0.03 0.00 0.00 54.58 51.06 1gpk n ASN 382 Cb 0.08 -0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 38.65 1gpk n ASN 382 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1gpk s ASN 383 N -1.79 6.72 0.31 6.41 3.84 -0.97 -4.92 114.94 124.54 1gpk s ASN 383 Ca 0.45 0.63 0.03 0.00 0.21 0.00 0.00 52.86 54.18 1gpk s ASN 383 Cb 0.36 -2.52 0.62 0.00 -0.55 0.00 0.00 41.25 39.16 1gpk s ASN 383 CO 0.09 -1.03 1.86 1.23 -2.79 0.00 0.00 177.10 176.46 1gpk h GLY 384 N 10.56 1.46 1.23 1.21 0.00 -1.92 -1.17 103.07 114.44 1gpk h GLY 384 Ca -0.22 -0.39 -0.20 0.00 0.00 0.00 0.00 47.33 46.51 1gpk h GLY 384 CO 1.06 0.17 -0.67 -2.22 0.00 0.00 0.00 176.54 174.88 1gpk h ILE 385 N 0.93 1.29 -0.16 2.60 2.04 -1.91 -1.50 117.51 120.79 1gpk h ILE 385 Ca 0.46 -1.88 -0.10 0.00 1.00 0.00 0.00 64.86 64.34 1gpk h ILE 385 Cb 0.49 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 1gpk h ILE 385 CO -0.22 0.60 -0.35 0.11 0.00 0.00 0.00 178.15 178.28 1gpk h LYS 386 N 0.57 0.34 -0.23 2.37 1.57 -1.83 0.17 116.57 119.53 1gpk h LYS 386 Ca -0.02 -0.15 -0.12 0.00 -1.87 0.00 0.00 60.65 58.49 1gpk h LYS 386 Cb 1.28 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 1gpk h LYS 386 CO 0.14 0.66 -0.33 -0.91 -0.57 0.00 0.00 179.45 178.44 1gpk h ASN 387 N 0.30 0.69 0.23 0.86 2.35 -1.21 0.39 115.58 119.19 1gpk h ASN 387 Ca 0.03 -0.51 -0.01 0.00 -0.55 0.00 0.00 56.30 55.26 1gpk h ASN 387 Cb 0.77 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1gpk h ASN 387 CO 0.06 1.07 -0.11 -0.09 -1.65 0.00 0.00 177.43 176.71 1gpk h ARG 388 N 0.34 -0.30 -0.03 0.81 1.12 -1.21 -1.57 114.38 113.53 1gpk h ARG 388 Ca 0.02 0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 58.87 1gpk h ARG 388 Cb 0.92 0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.94 1gpk h ARG 388 CO 0.08 -0.12 -0.17 -0.44 -3.11 0.00 0.00 179.97 176.20 1gpk h ASP 389 N -0.41 0.05 -0.38 -3.80 3.32 -0.99 -1.31 116.42 112.90 1gpk h ASP 389 Ca -0.03 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 1gpk h ASP 389 Cb 0.31 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1gpk h ASP 389 CO 0.05 0.23 0.00 1.23 -1.72 0.00 0.00 179.24 179.03 1gpk h GLY 390 N 0.60 0.72 1.07 2.75 0.00 -0.61 -1.50 103.07 106.09 1gpk h GLY 390 Ca 0.01 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 46.71 1gpk h GLY 390 CO 0.02 0.49 -0.02 1.41 0.00 0.00 0.00 176.54 178.43 1gpk h LEU 391 N 0.49 1.00 -0.27 3.11 3.38 -0.88 -0.62 115.31 121.52 1gpk h LEU 391 Ca 0.11 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.81 1gpk h LEU 391 Cb 0.46 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1gpk h LEU 391 CO 0.02 1.08 -0.05 -0.78 0.09 0.00 0.00 178.44 178.79 1gpk h ASP 392 N 0.90 -0.22 -0.73 -0.43 3.58 -1.09 -0.86 116.42 117.56 1gpk h ASP 392 Ca 0.16 0.08 -0.06 0.00 0.42 0.00 0.00 57.03 57.62 1gpk h ASP 392 Cb 0.58 0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.75 1gpk h ASP 392 CO 0.03 -0.08 0.23 0.44 -2.88 0.00 0.00 179.24 176.98 1gpk h ASP 393 N 0.01 1.08 -0.11 2.28 3.32 -1.00 -1.61 116.42 120.39 1gpk h ASP 393 Ca 0.13 -0.21 0.02 0.00 0.02 0.00 0.00 57.03 56.99 1gpk h ASP 393 Cb 0.19 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1gpk h ASP 393 CO -0.26 1.00 -0.02 0.40 -1.72 0.00 0.00 179.24 178.64 1gpk h ILE 394 N 1.10 0.91 -0.52 0.35 2.04 -0.33 0.24 117.51 121.30 1gpk h ILE 394 Ca 0.24 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 66.04 1gpk h ILE 394 Cb 0.31 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1gpk h ILE 394 CO -0.01 0.00 0.11 0.58 0.00 0.00 0.00 178.15 178.84 1gpk h VAL 395 N 0.01 1.25 -0.28 1.67 2.07 -1.07 -1.35 116.25 118.56 1gpk h VAL 395 Ca 0.05 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.61 1gpk h VAL 395 Cb 0.07 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1gpk h VAL 395 CO -0.10 0.32 -0.11 1.23 0.02 0.00 0.00 177.57 178.94 1gpk h GLY 396 N 0.73 0.61 0.79 2.17 0.00 -1.07 -1.99 103.07 104.30 1gpk h GLY 396 Ca 0.16 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1gpk h GLY 396 CO 0.00 0.48 0.01 -0.55 0.00 0.00 0.00 176.54 176.49 1gpk h ASP 397 N 0.30 0.08 -0.32 0.19 3.32 -0.49 -0.55 116.42 118.95 1gpk h ASP 397 Ca 0.07 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 1gpk h ASP 397 Cb 0.60 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1gpk h ASP 397 CO 0.03 0.30 0.06 -0.74 -1.72 0.00 0.00 179.24 177.17 1gpk h HIS 398 N -0.14 0.56 0.00 4.55 2.76 -1.30 -0.19 115.15 121.39 1gpk h HIS 398 Ca 0.02 -0.07 -0.10 0.00 -2.20 0.00 0.00 60.37 58.01 1gpk h HIS 398 Cb 0.25 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.04 1gpk h HIS 398 CO 0.01 0.59 -1.14 -0.91 -1.30 0.00 0.00 177.93 175.18 1gpk h ASN 399 N 0.36 0.00 0.00 3.26 2.35 -1.43 -3.41 115.58 116.71 1gpk h ASN 399 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1gpk h ASN 399 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1gpk h ASN 399 CO 0.00 0.36 0.00 0.52 -1.65 0.00 0.00 177.43 176.66 1gpk n VAL 400 N -2.86 0.32 0.26 2.81 0.31 -0.40 -4.65 118.33 114.12 1gpk n VAL 400 Ca -0.05 0.11 -0.16 0.00 -0.01 0.00 0.00 64.34 64.23 1gpk n VAL 400 Cb 0.72 -0.83 -0.08 0.00 -0.91 0.00 0.00 33.84 32.74 1gpk n VAL 400 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1gpk h ILE 401 N 0.00 0.32 -0.31 2.52 2.04 -1.25 -1.49 117.51 119.34 1gpk h ILE 401 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 1gpk h ILE 401 Cb 0.00 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1gpk h ILE 401 CO 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 178.15 177.93 1gpk h PRO 403 N 0.53 0.93 -0.67 0.00 0.11 -1.69 -1.42 132.00 129.79 1gpk h PRO 403 Ca 0.08 -0.29 -0.08 0.00 0.11 0.00 0.00 66.00 65.82 1gpk h PRO 403 Cb 0.67 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.67 1gpk h PRO 403 CO 0.05 0.94 0.10 1.25 -0.21 0.00 0.00 178.00 180.14 1gpk h LEU 404 N 0.85 1.07 -1.15 2.35 6.46 -0.89 -1.57 115.31 122.43 1gpk h LEU 404 Ca 0.15 -0.26 -0.07 0.00 -0.12 0.00 0.00 57.88 57.58 1gpk h LEU 404 Cb 0.55 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 1gpk h LEU 404 CO 0.03 1.06 -0.15 0.24 -0.62 0.00 0.00 178.44 179.00 1gpk h MET 405 N 1.03 0.41 -0.34 1.25 2.86 -0.73 0.75 114.93 120.16 1gpk h MET 405 Ca 0.20 -0.12 -0.06 0.00 -2.06 0.00 0.00 59.70 57.67 1gpk h MET 405 Cb 0.45 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1gpk h MET 405 CO 0.01 0.56 -0.02 1.25 1.06 0.00 0.00 176.91 179.78 1gpk h HIS 406 N 0.38 0.67 -0.47 -0.22 -0.00 -0.91 -1.87 115.15 112.73 1gpk h HIS 406 Ca 0.07 -0.12 -0.01 0.00 -0.00 0.00 0.00 60.37 60.30 1gpk h HIS 406 Cb 0.49 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.71 1gpk h HIS 406 CO 0.01 0.73 0.24 0.35 -0.00 0.00 0.00 177.93 179.27 1gpk h PHE 407 N 0.41 0.66 -0.43 5.26 3.57 -0.67 -1.42 116.94 124.32 1gpk h PHE 407 Ca 0.09 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 1gpk h PHE 407 Cb 0.48 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1gpk h PHE 407 CO 0.04 0.52 -0.07 -0.24 -2.23 0.00 0.00 178.31 176.33 1gpk h VAL 408 N 0.61 1.25 -0.16 1.41 3.04 -0.79 0.17 116.25 121.78 1gpk h VAL 408 Ca 0.16 -1.07 -0.19 0.00 -1.01 0.00 0.00 66.70 64.59 1gpk h VAL 408 Cb 0.09 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 30.36 1gpk h VAL 408 CO -0.02 0.37 -0.68 0.78 -1.01 0.00 0.00 177.57 177.01 1gpk h ASN 409 N 0.68 0.73 -0.29 3.17 2.35 -1.16 -0.62 115.58 120.45 1gpk h ASN 409 Ca 0.12 -0.45 -0.16 0.00 -0.55 0.00 0.00 56.30 55.27 1gpk h ASN 409 Cb 0.51 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 1gpk h ASN 409 CO 0.03 1.21 -0.43 0.11 -1.65 0.00 0.00 177.43 176.70 1gpk h LYS 410 N 0.45 0.81 -0.12 0.81 1.79 -1.02 -3.25 116.57 116.04 1gpk h LYS 410 Ca -0.02 -0.48 -0.03 0.00 -2.18 0.00 0.00 60.65 57.94 1gpk h LYS 410 Cb 1.27 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.96 1gpk h LYS 410 CO 0.13 1.11 -0.04 -0.92 -1.08 0.00 0.00 179.45 178.65 1gpk h TYR 411 N 0.57 0.28 -0.19 -1.35 3.20 -0.65 -3.13 116.97 115.71 1gpk h TYR 411 Ca 0.03 -0.07 0.05 0.00 3.14 0.00 0.00 58.73 61.89 1gpk h TYR 411 Cb 1.03 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 1gpk h TYR 411 CO 0.07 0.57 0.30 1.15 -1.64 0.00 0.00 178.16 178.61 1gpk h THR 412 N -0.08 0.26 -0.02 1.81 2.02 -1.18 0.25 112.91 115.97 1gpk h THR 412 Ca 0.03 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.13 1gpk h THR 412 Cb 0.48 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1gpk h THR 412 CO 0.01 0.00 -0.35 0.50 0.37 0.00 0.00 175.52 176.05 1gpk h LYS 413 N 0.00 0.05 0.00 6.66 3.11 -1.57 -3.30 116.57 121.51 1gpk h LYS 413 Ca 0.09 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.91 1gpk h LYS 413 Cb 0.70 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.92 1gpk h LYS 413 CO -0.00 0.40 -1.17 1.19 -2.81 0.00 0.00 179.45 177.05 1gpk n PHE 414 N -4.11 0.00 -0.69 1.91 3.72 -0.07 -5.07 117.46 113.15 1gpk n PHE 414 Ca -0.02 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.08 1gpk n PHE 414 Cb 0.40 -0.12 0.26 0.00 -0.94 0.00 0.00 39.48 39.08 1gpk n PHE 414 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1gpk s GLY 415 N -2.57 1.50 0.00 1.37 0.00 0.69 -4.86 107.32 103.44 1gpk s GLY 415 Ca -0.02 -0.70 0.14 0.00 0.00 0.00 0.00 44.72 44.13 1gpk s GLY 415 CO 0.25 0.19 1.28 -2.01 0.00 0.00 0.00 173.10 172.81 1gpk n ASN 416 N -5.13 3.07 0.00 1.64 4.05 -0.19 -4.90 115.26 113.80 1gpk n ASN 416 Ca 0.10 -1.96 0.00 0.00 0.45 0.00 0.00 54.58 53.18 1gpk n ASN 416 Cb 0.59 -0.26 0.00 0.00 1.23 0.00 0.00 39.78 41.33 1gpk n ASN 416 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1gpk n GLY 417 N 0.79 3.38 3.12 8.20 0.00 -1.24 -4.74 105.19 114.70 1gpk n GLY 417 Ca 0.14 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 1gpk n GLY 417 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gpk s THR 418 N 0.00 1.33 -0.13 2.61 2.01 -1.26 -0.86 115.64 119.35 1gpk s THR 418 Ca 0.00 -0.67 -0.00 0.00 0.31 0.00 0.00 61.69 61.33 1gpk s THR 418 Cb 0.00 -1.15 0.03 0.00 0.01 0.00 0.00 72.50 71.39 1gpk s THR 418 CO 0.00 0.39 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.91 1gpk s TYR 419 N 0.04 1.69 -0.08 4.92 2.02 -0.63 0.37 117.35 125.68 1gpk s TYR 419 Ca -0.03 -0.89 0.01 0.00 -0.37 0.00 0.00 57.07 55.78 1gpk s TYR 419 Cb -0.11 -1.34 -0.03 0.00 -0.40 0.00 0.00 41.96 40.09 1gpk s TYR 419 CO 0.02 -0.56 -0.09 -1.17 -1.57 0.00 0.00 175.55 172.17 1gpk s LEU 420 N 1.64 3.00 0.18 -1.29 2.96 -1.26 -1.32 118.68 122.59 1gpk s LEU 420 Ca 0.05 -0.12 0.05 0.00 -0.22 0.00 0.00 54.13 53.89 1gpk s LEU 420 Cb -0.13 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 1gpk s LEU 420 CO -0.09 0.31 -0.10 -0.72 -1.32 0.00 0.00 176.35 174.43 1gpk s TYR 421 N -0.50 1.46 -0.25 5.38 -0.85 -0.62 -2.13 117.35 119.84 1gpk s TYR 421 Ca 0.07 -0.72 -0.02 0.00 -0.52 0.00 0.00 57.07 55.89 1gpk s TYR 421 Cb -0.12 -0.73 0.08 0.00 0.38 0.00 0.00 41.96 41.56 1gpk s TYR 421 CO 0.02 0.16 0.06 0.12 -1.52 0.00 0.00 175.55 174.39 1gpk s PHE 422 N -3.21 1.35 -0.39 -3.49 5.36 -0.09 -2.52 117.98 114.99 1gpk s PHE 422 Ca 0.20 -1.26 -0.24 0.00 -0.96 0.00 0.00 56.93 54.67 1gpk s PHE 422 Cb 0.02 -1.32 0.02 0.00 -0.34 0.00 0.00 43.02 41.40 1gpk s PHE 422 CO 0.04 -0.73 0.86 0.12 -1.46 0.00 0.00 175.22 174.04 1gpk s PHE 423 N 1.74 3.05 -0.30 10.12 5.36 0.61 -0.96 117.98 137.61 1gpk s PHE 423 Ca 0.03 0.55 0.15 0.00 -0.96 0.00 0.00 56.93 56.70 1gpk s PHE 423 Cb -0.17 -3.62 0.48 0.00 -0.34 0.00 0.00 43.02 39.37 1gpk s PHE 423 CO -0.16 -0.86 1.11 0.27 -1.46 0.00 0.00 175.22 174.13 1gpk n ASN 424 N 6.71 2.99 -4.36 6.13 6.94 -1.05 -1.44 115.26 131.18 1gpk n ASN 424 Ca 0.05 -2.87 -0.34 0.00 -0.02 0.00 0.00 54.58 51.40 1gpk n ASN 424 Cb 0.48 -0.44 -0.14 0.00 -2.36 0.00 0.00 39.78 37.33 1gpk n ASN 424 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1gpk s HIS 425 N -3.62 2.94 -0.24 -2.53 2.46 -1.25 -4.92 115.29 108.13 1gpk s HIS 425 Ca 0.37 -0.74 -0.19 0.00 0.47 0.00 0.00 55.06 54.97 1gpk s HIS 425 Cb 0.38 -2.02 -0.03 0.00 -0.13 0.00 0.00 32.58 30.78 1gpk s HIS 425 CO -0.02 -0.37 0.54 0.50 -2.47 0.00 0.00 174.74 172.92 1gpk s ARG 426 N 1.01 4.11 0.43 2.88 3.52 -1.26 -4.85 118.95 124.78 1gpk s ARG 426 Ca 0.00 0.39 -0.25 0.00 -0.13 0.00 0.00 55.73 55.75 1gpk s ARG 426 Cb -0.15 -3.63 -0.10 0.00 -1.56 0.00 0.00 34.95 29.52 1gpk s ARG 426 CO 0.00 -0.32 1.20 0.00 -0.81 0.00 0.00 175.30 175.37 1gpk n ALA 427 N 5.40 0.97 0.31 6.12 0.00 -1.26 -4.89 120.51 127.16 1gpk n ALA 427 Ca -0.03 0.25 0.15 0.00 0.00 0.00 0.00 53.44 53.80 1gpk n ALA 427 Cb 0.50 -2.22 0.56 0.00 0.00 0.00 0.00 19.45 18.29 1gpk n ALA 427 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1gpk h SER 428 N 1.88 0.00 -0.33 0.00 4.64 -1.95 -3.20 113.55 114.58 1gpk h SER 428 Ca -0.47 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1gpk h SER 428 Cb 1.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1gpk h SER 428 CO 0.59 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.09 1gpk n ASN 429 N -2.89 4.29 -4.77 4.97 0.23 -1.26 -5.02 115.26 110.81 1gpk n ASN 429 Ca 0.02 -3.01 -0.39 0.00 -0.53 0.00 0.00 54.58 50.67 1gpk n ASN 429 Cb 0.33 -0.58 -0.01 0.00 -2.08 0.00 0.00 39.78 37.44 1gpk n ASN 429 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1gpk s LEU 430 N -2.83 4.18 0.00 -4.53 1.43 -1.21 -4.93 118.68 110.79 1gpk s LEU 430 Ca 0.45 2.46 0.21 0.00 -1.03 0.00 0.00 54.13 56.22 1gpk s LEU 430 Cb 0.36 -4.00 -0.11 0.00 0.03 0.00 0.00 46.19 42.47 1gpk s LEU 430 CO 0.10 -0.78 0.95 1.33 0.23 0.00 0.00 176.35 178.18 1gpk n VAL 431 N 0.03 0.00 -2.44 -1.59 0.24 -1.26 -4.94 118.33 108.37 1gpk n VAL 431 Ca 0.04 -0.15 -0.33 0.00 -2.04 0.00 0.00 64.34 61.86 1gpk n VAL 431 Cb 0.45 1.13 -0.03 0.00 -1.47 0.00 0.00 33.84 33.92 1gpk n VAL 431 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1gpk s TRP 432 N -2.62 3.24 0.86 6.34 0.52 -1.26 -4.99 118.94 121.03 1gpk s TRP 432 Ca 0.13 1.53 -0.12 0.00 0.02 0.00 0.00 56.10 57.65 1gpk s TRP 432 Cb 0.16 -2.90 0.10 0.00 -1.15 0.00 0.00 33.47 29.68 1gpk s TRP 432 CO 0.68 -0.55 1.08 -0.35 0.02 0.00 0.00 176.95 177.83 1gpk n PRO 433 N -1.37 -0.10 0.06 4.98 -0.04 -1.26 -4.92 135.00 132.35 1gpk n PRO 433 Ca 0.08 0.04 0.01 0.00 -0.04 0.00 0.00 63.50 63.59 1gpk n PRO 433 Cb 0.53 -2.34 0.33 0.00 -0.04 0.00 0.00 33.50 31.99 1gpk n PRO 433 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1gpk h GLU 434 N -1.32 0.38 0.00 0.54 4.39 -1.94 -2.91 114.58 113.72 1gpk h GLU 434 Ca -0.45 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.16 1gpk h GLU 434 Cb 1.29 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1gpk h GLU 434 CO 0.43 0.48 -0.00 0.11 -1.16 0.00 0.00 179.01 178.86 1gpk h TRP 435 N 0.36 0.00 0.00 4.33 5.08 -1.91 -1.18 115.95 122.64 1gpk h TRP 435 Ca 0.07 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.04 1gpk h TRP 435 Cb 0.38 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.54 1gpk h TRP 435 CO 0.01 0.00 0.00 0.52 -1.28 0.00 0.00 178.44 177.69 1gpk h MET 436 N 0.00 0.00 0.00 0.12 2.86 -1.88 -3.49 114.93 112.55 1gpk h MET 436 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1gpk h MET 436 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1gpk h MET 436 CO 0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 1gpk n GLY 437 N 0.62 3.18 3.44 8.32 0.00 -0.45 -4.10 105.19 116.20 1gpk n GLY 437 Ca 0.03 -0.26 -0.44 0.00 0.00 0.00 0.00 46.02 45.35 1gpk n GLY 437 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gpk s VAL 438 N 0.00 4.66 0.58 1.61 1.01 -1.26 -4.87 120.40 122.13 1gpk s VAL 438 Ca 0.00 -1.27 -0.18 0.00 0.00 0.00 0.00 61.98 60.53 1gpk s VAL 438 Cb 0.00 -4.73 -0.04 0.00 0.00 0.00 0.00 36.38 31.61 1gpk s VAL 438 CO 0.00 -1.46 1.14 -0.63 0.00 0.00 0.00 175.10 174.16 1gpk s ILE 439 N 2.95 3.06 0.09 2.22 1.01 -1.26 -1.10 121.20 128.17 1gpk s ILE 439 Ca 0.28 0.62 -0.34 0.00 0.00 0.00 0.00 60.65 61.21 1gpk s ILE 439 Cb -0.09 -3.21 -0.14 0.00 0.01 0.00 0.00 42.46 39.03 1gpk s ILE 439 CO -0.04 -0.18 1.63 1.57 0.00 0.00 0.00 174.94 177.92 1gpk n HIS 440 N -1.62 2.24 -0.22 3.97 -0.00 -1.25 -1.25 115.22 117.07 1gpk n HIS 440 Ca 0.12 0.23 0.00 0.00 -0.00 0.00 0.00 57.72 58.07 1gpk n HIS 440 Cb 0.51 -2.56 0.00 0.00 -0.00 0.00 0.00 29.99 27.94 1gpk n HIS 440 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1gpk n GLY 441 N 3.59 1.52 0.72 1.57 0.00 -1.26 -4.93 105.19 106.41 1gpk n GLY 441 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.25 1gpk n GLY 441 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gpk n TYR 442 N -2.00 0.55 0.38 1.61 4.02 -0.38 -2.96 117.16 118.37 1gpk n TYR 442 Ca 0.00 -0.23 0.11 0.00 -0.01 0.00 0.00 57.90 57.76 1gpk n TYR 442 Cb 0.00 -0.08 -0.08 0.00 -0.02 0.00 0.00 39.34 39.15 1gpk n TYR 442 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 1gpk n GLU 443 N 0.36 0.41 -0.11 -0.72 0.00 -1.26 -4.38 120.64 114.94 1gpk n GLU 443 Ca 0.11 -0.07 -0.06 0.00 0.00 0.00 0.00 57.16 57.14 1gpk n GLU 443 Cb 0.38 -1.57 0.02 0.00 0.00 0.00 0.00 31.44 30.27 1gpk n GLU 443 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1gpk h ILE 444 N 0.00 0.87 -0.11 3.84 2.04 -1.94 -1.71 117.51 120.50 1gpk h ILE 444 Ca 0.00 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.81 1gpk h ILE 444 Cb 0.82 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1gpk h ILE 444 CO 0.00 0.04 0.11 1.05 0.00 0.00 0.00 178.15 179.36 1gpk h GLU 445 N 0.24 0.00 0.13 2.37 4.11 -1.79 0.39 114.58 120.04 1gpk h GLU 445 Ca 0.17 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.30 1gpk h GLU 445 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1gpk h GLU 445 CO -0.19 0.00 -1.40 0.74 0.07 0.00 0.00 179.01 178.23 1gpk h PHE 446 N 0.00 0.51 -0.43 2.06 -1.00 -1.60 -0.89 116.94 115.59 1gpk h PHE 446 Ca 0.05 -0.37 -0.10 0.00 2.81 0.00 0.00 57.97 60.36 1gpk h PHE 446 Cb 0.28 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 1gpk h PHE 446 CO 0.00 1.35 -0.12 0.28 -1.61 0.00 0.00 178.31 178.21 1gpk h VAL 447 N 0.08 1.26 -0.15 -0.55 2.07 -0.47 -2.72 116.25 115.76 1gpk h VAL 447 Ca -0.20 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1gpk h VAL 447 Cb 2.01 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1gpk h VAL 447 CO 0.19 0.40 0.00 0.49 0.02 0.00 0.00 177.57 178.67 1gpk n PHE 448 N -4.16 0.19 -1.50 1.57 3.01 -0.00 -4.63 117.46 111.94 1gpk n PHE 448 Ca 0.01 -0.09 -0.09 0.00 1.01 0.00 0.00 57.45 58.29 1gpk n PHE 448 Cb 0.37 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.81 1gpk n PHE 448 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gpk n GLY 449 N 1.12 0.78 0.34 1.37 0.00 -1.03 -4.11 105.19 103.66 1gpk n GLY 449 Ca 0.16 -0.60 0.10 0.00 0.00 0.00 0.00 46.02 45.68 1gpk n GLY 449 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1gpk h LEU 450 N 0.00 0.37 -2.47 0.99 -0.00 -1.45 -2.06 115.31 110.70 1gpk h LEU 450 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.69 1gpk h LEU 450 Cb 0.73 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.32 1gpk h LEU 450 CO 0.26 0.24 0.06 -0.65 -0.00 0.00 0.00 178.44 178.35 1gpk h PRO 451 N 0.42 0.00 0.00 1.13 0.11 -1.90 -0.30 132.00 131.46 1gpk h PRO 451 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1gpk h PRO 451 Cb 0.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.46 1gpk h PRO 451 CO -0.06 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.01 1gpk n LEU 452 N -2.85 0.46 -4.48 2.35 4.32 -0.77 -4.55 117.00 111.47 1gpk n LEU 452 Ca -0.02 0.57 -0.43 0.00 -0.02 0.00 0.00 56.01 56.11 1gpk n LEU 452 Cb 0.12 -0.47 -0.05 0.00 -1.62 0.00 0.00 43.42 41.40 1gpk n LEU 452 CO 0.16 -0.27 0.56 -0.69 -1.22 0.00 0.00 177.39 175.93 1gpk s VAL 453 N -3.13 4.60 0.21 4.08 1.01 -0.13 -4.95 120.40 122.10 1gpk s VAL 453 Ca 0.09 -0.18 -0.16 0.00 0.00 0.00 0.00 61.98 61.73 1gpk s VAL 453 Cb 0.12 -4.46 0.22 0.00 0.00 0.00 0.00 36.38 32.26 1gpk s VAL 453 CO 0.46 -1.03 1.59 0.50 0.00 0.00 0.00 175.10 176.62 1gpk h LYS 454 N 9.21 -0.07 0.00 2.72 1.63 -1.86 -0.19 116.57 128.00 1gpk h LYS 454 Ca -0.27 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.53 1gpk h LYS 454 Cb 1.08 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 1gpk h LYS 454 CO 1.05 -0.05 0.07 0.39 -3.45 0.00 0.00 179.45 177.46 1gpk n GLU 455 N -5.46 0.00 0.00 1.90 4.71 -1.26 -1.09 120.64 119.44 1gpk n GLU 455 Ca 0.07 0.32 0.14 0.00 -0.01 0.00 0.00 57.16 57.68 1gpk n GLU 455 Cb 0.37 -1.57 0.53 0.00 -1.01 0.00 0.00 31.44 29.76 1gpk n GLU 455 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1gpk n LEU 456 N -1.29 1.24 -3.33 -4.62 4.77 -0.08 -4.95 117.00 108.74 1gpk n LEU 456 Ca 0.00 -0.39 -0.22 0.00 -0.03 0.00 0.00 56.01 55.37 1gpk n LEU 456 Cb 0.07 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 1gpk n LEU 456 CO 0.00 0.21 0.19 0.59 -1.33 0.00 0.00 177.39 177.05 1gpk n ASN 457 N -0.14 -6.13 -4.93 -1.43 3.02 -0.25 -4.97 115.26 100.43 1gpk n ASN 457 Ca 0.18 -0.47 -0.25 0.00 -0.03 0.00 0.00 54.58 54.01 1gpk n ASN 457 Cb 0.33 -4.79 0.01 0.00 -0.61 0.00 0.00 39.78 34.72 1gpk n ASN 457 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1gpk s TYR 458 N -3.27 3.35 0.63 3.10 2.02 -1.26 -4.67 117.35 117.24 1gpk s TYR 458 Ca 0.51 0.45 -0.07 0.00 -0.37 0.00 0.00 57.07 57.59 1gpk s TYR 458 Cb -0.22 -2.31 0.01 0.00 -0.40 0.00 0.00 41.96 39.04 1gpk s TYR 458 CO 0.63 -0.34 0.96 0.95 -1.57 0.00 0.00 175.55 176.18 1gpk s THR 459 N -2.63 3.49 0.30 -0.71 -4.23 -1.26 -4.92 115.64 105.68 1gpk s THR 459 Ca 0.48 0.09 -0.01 0.00 -1.18 0.00 0.00 61.69 61.07 1gpk s THR 459 Cb -0.10 -3.42 0.22 0.00 1.34 0.00 0.00 72.50 70.54 1gpk s THR 459 CO 0.40 -0.46 1.92 0.00 -0.54 0.00 0.00 174.62 175.95 1gpk h ALA 460 N -0.33 1.36 -0.35 3.99 0.00 -1.98 -1.32 119.26 120.64 1gpk h ALA 460 Ca -0.45 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 1gpk h ALA 460 Cb 1.26 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1gpk h ALA 460 CO 0.61 0.51 -0.06 0.93 0.00 0.00 0.00 179.25 181.25 1gpk h GLU 461 N 0.92 0.57 -0.04 0.00 3.07 -1.98 -1.29 114.58 115.84 1gpk h GLU 461 Ca 0.23 -0.15 -0.15 0.00 -0.50 0.00 0.00 59.36 58.79 1gpk h GLU 461 Cb 0.05 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1gpk h GLU 461 CO -0.04 0.64 -0.65 0.93 -1.40 0.00 0.00 179.01 178.49 1gpk h GLU 462 N 0.54 0.16 -0.42 2.33 5.08 -1.69 -1.19 114.58 119.39 1gpk h GLU 462 Ca 0.11 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1gpk h GLU 462 Cb 0.43 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1gpk h GLU 462 CO 0.02 0.75 -0.05 1.49 -1.00 0.00 0.00 179.01 180.23 1gpk h GLU 463 N 0.11 0.77 -0.90 2.33 4.81 -0.76 -0.97 114.58 119.98 1gpk h GLU 463 Ca -0.01 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 1gpk h GLU 463 Cb 1.17 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 1gpk h GLU 463 CO 0.10 0.88 0.49 0.00 -0.73 0.00 0.00 179.01 179.74 1gpk h ALA 464 N 0.87 1.17 -0.38 2.92 0.00 -1.05 -1.32 119.26 121.47 1gpk h ALA 464 Ca 0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1gpk h ALA 464 Cb 0.56 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1gpk h ALA 464 CO 0.03 0.66 0.08 1.25 0.00 0.00 0.00 179.25 181.28 1gpk h LEU 465 N 1.26 0.58 0.14 0.00 5.85 -0.93 -1.61 115.31 120.60 1gpk h LEU 465 Ca 0.31 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1gpk h LEU 465 Cb 0.03 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1gpk h LEU 465 CO -0.05 0.68 -0.14 -1.28 -0.34 0.00 0.00 178.44 177.31 1gpk h SER 466 N 0.47 -0.37 -0.82 1.25 0.87 -0.81 0.30 113.55 114.43 1gpk h SER 466 Ca 0.12 0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.80 1gpk h SER 466 Cb 0.33 0.13 -0.07 0.00 -0.44 0.00 0.00 62.40 62.35 1gpk h SER 466 CO 0.00 -0.21 0.47 0.03 -0.53 0.00 0.00 176.83 176.59 1gpk h ARG 467 N -0.31 0.78 -0.42 2.24 3.08 -1.18 0.31 114.38 118.89 1gpk h ARG 467 Ca 0.00 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1gpk h ARG 467 Cb 0.30 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1gpk h ARG 467 CO -0.04 0.52 0.18 -0.09 -1.07 0.00 0.00 179.97 179.47 1gpk h ARG 468 N 0.80 0.61 -0.22 0.04 2.43 -0.83 -0.55 114.38 116.67 1gpk h ARG 468 Ca 0.39 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.41 1gpk h ARG 468 Cb 0.34 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1gpk h ARG 468 CO -0.24 0.55 -0.05 0.82 -1.51 0.00 0.00 179.97 179.54 1gpk h ILE 469 N 0.53 1.28 -0.90 1.20 2.04 0.03 -1.53 117.51 120.17 1gpk h ILE 469 Ca 0.14 -1.04 0.04 0.00 1.00 0.00 0.00 64.86 65.00 1gpk h ILE 469 Cb 0.16 1.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.70 1gpk h ILE 469 CO -0.01 0.32 0.58 0.24 0.00 0.00 0.00 178.15 179.27 1gpk h MET 470 N 0.15 1.07 -0.03 2.37 2.86 -0.32 0.83 114.93 121.86 1gpk h MET 470 Ca 0.06 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 1gpk h MET 470 Cb 0.51 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1gpk h MET 470 CO 0.02 0.71 -0.52 1.25 1.06 0.00 0.00 176.91 179.43 1gpk h HIS 471 N 1.10 0.09 0.14 -0.22 -0.00 -1.03 -0.17 115.15 115.06 1gpk h HIS 471 Ca 0.37 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.70 1gpk h HIS 471 Cb 0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.45 1gpk h HIS 471 CO -0.02 0.58 -0.07 1.88 -0.00 0.00 0.00 177.93 180.31 1gpk h TYR 472 N 0.06 -0.17 -0.29 5.26 0.05 -0.18 -0.80 116.97 120.90 1gpk h TYR 472 Ca -0.00 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.80 1gpk h TYR 472 Cb 0.95 0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.72 1gpk h TYR 472 CO 0.01 0.19 0.12 -1.49 -1.05 0.00 0.00 178.16 175.93 1gpk h TRP 473 N -0.56 0.21 -0.33 4.88 -0.00 -0.76 -0.50 115.95 118.89 1gpk h TRP 473 Ca -0.02 0.01 -0.13 0.00 -0.00 0.00 0.00 58.89 58.75 1gpk h TRP 473 Cb 0.44 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.16 29.53 1gpk h TRP 473 CO 0.04 0.11 -0.34 0.00 -0.00 0.00 0.00 178.44 178.25 1gpk h ALA 474 N 1.17 0.78 -0.30 1.49 0.00 -1.07 -0.80 119.26 120.53 1gpk h ALA 474 Ca 0.12 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 1gpk h ALA 474 Cb 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1gpk h ALA 474 CO -0.11 0.65 -0.39 1.15 0.00 0.00 0.00 179.25 180.55 1gpk h THR 475 N 0.62 1.29 -0.26 0.00 2.02 -1.01 -1.46 112.91 114.11 1gpk h THR 475 Ca 0.06 -1.56 -0.04 0.00 0.77 0.00 0.00 66.41 65.65 1gpk h THR 475 Cb 0.87 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 1gpk h THR 475 CO 0.08 0.50 0.02 0.15 0.37 0.00 0.00 175.52 176.65 1gpk h PHE 476 N 0.58 0.49 -0.77 3.16 3.57 -0.94 0.53 116.94 123.56 1gpk h PHE 476 Ca 0.05 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.52 1gpk h PHE 476 Cb 0.93 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.49 1gpk h PHE 476 CO 0.05 0.58 0.51 0.00 -2.23 0.00 0.00 178.31 177.21 1gpk h ALA 477 N 0.84 1.56 0.06 2.41 0.00 -0.99 0.88 119.26 124.02 1gpk h ALA 477 Ca 0.08 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 1gpk h ALA 477 Cb 0.37 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 17.93 1gpk h ALA 477 CO 0.01 0.35 -0.95 -0.22 0.00 0.00 0.00 179.25 178.44 1gpk h LYS 478 N 0.92 0.55 0.00 0.00 3.64 -1.01 -3.41 116.57 117.26 1gpk h LYS 478 Ca 0.31 -0.67 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1gpk h LYS 478 Cb 0.09 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1gpk h LYS 478 CO -0.09 1.27 -0.53 0.25 -2.27 0.00 0.00 179.45 178.07 1gpk n THR 479 N -3.97 0.00 -0.55 1.00 -2.24 0.16 -5.00 114.28 103.67 1gpk n THR 479 Ca -0.12 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1gpk n THR 479 Cb 0.85 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 1gpk n THR 479 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gpk n GLY 480 N 1.56 0.73 2.93 3.38 0.00 0.30 -5.02 105.19 109.07 1gpk n GLY 480 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1gpk n GLY 480 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1gpk s ASN 481 N -2.11 0.37 0.53 1.61 3.84 -1.25 -4.92 114.94 113.01 1gpk s ASN 481 Ca 0.00 0.44 0.34 0.00 0.21 0.00 0.00 52.86 53.86 1gpk s ASN 481 Cb 0.00 0.43 1.51 0.00 -0.55 0.00 0.00 41.25 42.64 1gpk s ASN 481 CO 0.00 -0.22 2.01 1.55 -2.79 0.00 0.00 177.10 177.65 1gpk h PRO 482 N 8.04 0.00 -6.60 0.43 0.13 -1.82 -3.17 132.00 129.02 1gpk h PRO 482 Ca -0.21 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.41 1gpk h PRO 482 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1gpk h PRO 482 CO 0.21 0.00 0.32 -0.80 -0.23 0.00 0.00 178.00 177.50 1gpk s ASN 483 N -5.35 7.51 0.07 1.44 0.01 -1.26 -4.52 114.94 112.84 1gpk s ASN 483 Ca 0.00 1.80 -0.31 0.00 -0.71 0.00 0.00 52.86 53.65 1gpk s ASN 483 Cb 0.10 -2.58 -0.08 0.00 0.41 0.00 0.00 41.25 39.10 1gpk s ASN 483 CO 0.49 0.04 1.50 -1.61 -1.51 0.00 0.00 177.10 176.00 1gpk s GLU 484 N -0.48 4.26 0.00 -0.60 0.41 -1.26 -5.00 118.70 116.02 1gpk s GLU 484 Ca 0.43 2.16 0.00 0.00 -0.41 0.00 0.00 54.97 57.15 1gpk s GLU 484 Cb -0.24 -3.45 0.00 0.00 -1.78 0.00 0.00 34.13 28.66 1gpk s GLU 484 CO 0.30 -0.60 0.18 -2.30 -0.49 0.00 0.00 175.26 172.35 1gpk n PRO 485 N 4.92 0.00 -0.50 0.39 -0.02 -1.26 -5.16 135.00 133.37 1gpk n PRO 485 Ca 0.14 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.68 1gpk n PRO 485 Cb 0.42 -1.33 -0.03 0.00 -0.02 0.00 0.00 33.50 32.53 1gpk n PRO 485 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1gpk n GLU 489 N 2.22 -1.16 -1.95 -0.52 4.71 -1.26 -5.31 120.64 117.38 1gpk n GLU 489 Ca 0.00 0.94 -0.41 0.00 -0.01 0.00 0.00 57.16 57.68 1gpk n GLU 489 Cb 0.00 -1.35 -0.02 0.00 -1.01 0.00 0.00 31.44 29.06 1gpk n GLU 489 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1gpk s SER 490 N -5.20 6.58 0.03 1.62 0.15 -1.26 -4.97 113.70 110.66 1gpk s SER 490 Ca 0.00 2.74 -0.21 0.00 0.70 0.00 0.00 55.95 59.17 1gpk s SER 490 Cb 0.00 -2.62 -0.06 0.00 -1.71 0.00 0.00 66.02 61.63 1gpk s SER 490 CO 0.00 -0.76 0.63 -0.54 1.20 0.00 0.00 173.24 173.77 1gpk s LYS 491 N -0.33 4.34 -0.58 5.44 -0.14 -1.26 -5.02 119.74 122.20 1gpk s LYS 491 Ca 0.61 0.82 -0.28 0.00 -1.36 0.00 0.00 55.97 55.76 1gpk s LYS 491 Cb -0.43 -3.32 0.03 0.00 -1.68 0.00 0.00 37.83 32.43 1gpk s LYS 491 CO 0.44 0.42 1.16 -0.46 -0.76 0.00 0.00 175.35 176.15 1gpk s TRP 492 N -0.40 2.63 0.68 3.18 -0.11 -1.26 -4.99 118.94 118.66 1gpk s TRP 492 Ca 0.32 0.37 -0.16 0.00 1.22 0.00 0.00 56.10 57.85 1gpk s TRP 492 Cb -0.19 -4.46 0.01 0.00 -1.50 0.00 0.00 33.47 27.32 1gpk s TRP 492 CO 0.19 -1.56 1.16 -1.25 -4.62 0.00 0.00 176.95 170.87 1gpk s PRO 493 N 4.84 2.58 0.30 5.86 0.04 -1.26 -4.88 135.00 142.47 1gpk s PRO 493 Ca 0.42 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.75 1gpk s PRO 493 Cb -0.08 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 1gpk s PRO 493 CO 0.25 -1.46 1.10 -1.17 0.04 0.00 0.00 177.00 175.76 1gpk s LEU 494 N -4.86 4.49 -0.16 -3.56 2.96 -1.26 -4.69 118.68 111.61 1gpk s LEU 494 Ca 0.71 2.26 -0.25 0.00 -0.22 0.00 0.00 54.13 56.62 1gpk s LEU 494 Cb -0.25 -3.70 -0.02 0.00 0.50 0.00 0.00 46.19 42.72 1gpk s LEU 494 CO 0.41 -0.21 0.84 0.12 -1.32 0.00 0.00 176.35 176.20 1gpk s PHE 495 N -1.23 3.44 0.17 5.38 2.19 0.16 -4.49 117.98 123.60 1gpk s PHE 495 Ca 0.46 1.28 0.11 0.00 0.33 0.00 0.00 56.93 59.11 1gpk s PHE 495 Cb -0.31 -3.02 -0.04 0.00 -1.31 0.00 0.00 43.02 38.34 1gpk s PHE 495 CO 0.40 -0.22 -0.24 0.95 1.83 0.00 0.00 175.22 177.94 1gpk s THR 496 N 2.06 2.25 0.34 0.12 -4.23 -1.26 -4.35 115.64 110.58 1gpk s THR 496 Ca 0.39 -1.93 0.07 0.00 -1.18 0.00 0.00 61.69 59.04 1gpk s THR 496 Cb -0.17 -2.04 0.31 0.00 1.34 0.00 0.00 72.50 71.95 1gpk s THR 496 CO 0.13 -0.08 1.87 0.74 -0.54 0.00 0.00 174.62 176.74 1gpk h THR 497 N 3.42 0.86 0.15 3.99 2.02 -1.95 0.42 112.91 121.82 1gpk h THR 497 Ca -0.47 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 1gpk h THR 497 Cb 1.20 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1gpk h THR 497 CO 0.46 0.14 -0.07 0.50 0.37 0.00 0.00 175.52 176.91 1gpk h LYS 498 N 0.75 -0.20 0.00 6.66 3.64 -2.01 -3.39 116.57 122.02 1gpk h LYS 498 Ca 0.45 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.69 1gpk h LYS 498 Cb 0.65 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1gpk h LYS 498 CO -0.21 0.03 -1.08 0.93 -2.27 0.00 0.00 179.45 176.86 1gpk h GLU 499 N -1.02 0.00 -6.65 1.90 5.08 -1.96 -3.49 114.58 108.44 1gpk h GLU 499 Ca -0.02 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.81 1gpk h GLU 499 Cb 0.32 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.44 1gpk h GLU 499 CO 0.03 0.41 -0.87 1.04 -1.00 0.00 0.00 179.01 178.63 1gpk n GLN 500 N -3.04 -3.09 -2.34 2.33 6.02 0.15 -4.48 117.38 112.93 1gpk n GLN 500 Ca -0.05 0.37 -0.32 0.00 -0.01 0.00 0.00 57.00 56.98 1gpk n GLN 500 Cb 0.81 -4.73 -0.02 0.00 1.02 0.00 0.00 30.24 27.32 1gpk n GLN 500 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1gpk s LYS 501 N -6.79 3.79 0.24 -1.09 1.02 -1.26 -2.23 119.74 113.42 1gpk s LYS 501 Ca 0.35 1.06 -0.16 0.00 0.02 0.00 0.00 55.97 57.23 1gpk s LYS 501 Cb -0.19 -2.11 0.01 0.00 -0.52 0.00 0.00 37.83 35.02 1gpk s LYS 501 CO 0.91 -0.41 0.54 -0.59 -0.92 0.00 0.00 175.35 174.89 1gpk s PHE 502 N -2.51 0.13 0.21 3.18 -0.71 -0.64 -4.22 117.98 113.41 1gpk s PHE 502 Ca 0.61 -0.51 0.08 0.00 -1.04 0.00 0.00 56.93 56.07 1gpk s PHE 502 Cb -0.12 0.35 -0.05 0.00 -1.21 0.00 0.00 43.02 42.00 1gpk s PHE 502 CO 0.31 -1.03 -0.14 0.96 -1.34 0.00 0.00 175.22 173.98 1gpk s ILE 503 N -3.96 1.77 0.29 -4.49 -4.36 -0.91 -0.36 121.20 109.18 1gpk s ILE 503 Ca 0.17 -2.22 -0.01 0.00 -0.26 0.00 0.00 60.65 58.33 1gpk s ILE 503 Cb -0.02 -2.09 -0.04 0.00 1.25 0.00 0.00 42.46 41.56 1gpk s ILE 503 CO 0.06 -0.56 0.50 1.51 0.24 0.00 0.00 174.94 176.69 1gpk s ASP 504 N -3.34 6.36 -0.29 4.36 -4.77 -1.04 -0.92 116.67 117.03 1gpk s ASP 504 Ca 0.23 0.49 0.01 0.00 -3.30 0.00 0.00 52.55 49.99 1gpk s ASP 504 Cb -0.01 -2.05 0.08 0.00 -1.09 0.00 0.00 42.92 39.86 1gpk s ASP 504 CO 0.08 -0.19 0.03 -0.76 0.70 0.00 0.00 175.17 175.02 1gpk s LEU 505 N -3.84 3.07 0.00 2.11 1.43 -0.14 -4.57 118.68 116.75 1gpk s LEU 505 Ca 0.40 -1.60 -0.12 0.00 -1.03 0.00 0.00 54.13 51.79 1gpk s LEU 505 Cb -0.10 -1.20 0.05 0.00 0.03 0.00 0.00 46.19 44.97 1gpk s LEU 505 CO 0.32 -0.34 0.68 -0.46 0.23 0.00 0.00 176.35 176.79 1gpk n ASN 506 N 4.61 -1.97 0.00 2.29 0.23 -1.26 -2.53 115.26 116.63 1gpk n ASN 506 Ca -0.04 -2.50 0.13 0.00 -0.53 0.00 0.00 54.58 51.63 1gpk n ASN 506 Cb 0.43 3.32 0.70 0.00 -2.08 0.00 0.00 39.78 42.15 1gpk n ASN 506 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1gpk n THR 507 N -0.50 0.11 -2.78 5.53 -2.24 -1.26 -4.81 114.28 108.33 1gpk n THR 507 Ca -0.07 0.03 -0.24 0.00 -2.27 0.00 0.00 64.05 61.50 1gpk n THR 507 Cb 0.54 -0.61 0.02 0.00 -2.10 0.00 0.00 70.33 68.18 1gpk n THR 507 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1gpk s GLU 508 N -2.32 2.95 0.04 -0.78 2.02 -1.26 -5.00 118.70 114.35 1gpk s GLU 508 Ca 0.31 -0.40 -0.33 0.00 0.02 0.00 0.00 54.97 54.57 1gpk s GLU 508 Cb 0.18 -2.47 -0.12 0.00 0.10 0.00 0.00 34.13 31.82 1gpk s GLU 508 CO 0.35 -0.45 1.82 -2.30 0.02 0.00 0.00 175.26 174.70 1gpk n PRO 509 N -2.25 2.44 -1.45 0.39 -0.02 -1.26 -4.85 135.00 127.99 1gpk n PRO 509 Ca 0.03 0.89 -0.47 0.00 -2.02 0.00 0.00 63.50 61.93 1gpk n PRO 509 Cb 0.58 -2.75 -0.03 0.00 -0.02 0.00 0.00 33.50 31.28 1gpk n PRO 509 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1gpk n MET 510 N 5.82 0.37 -4.29 -0.52 1.56 -1.26 -4.98 117.12 113.82 1gpk n MET 510 Ca 0.20 0.13 -0.18 0.00 -0.27 0.00 0.00 57.70 57.58 1gpk n MET 510 Cb 0.33 -1.25 -0.15 0.00 2.15 0.00 0.00 33.22 34.31 1gpk n MET 510 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 1gpk s LYS 511 N -1.11 0.63 -0.07 2.12 3.01 -1.26 -5.04 119.74 118.01 1gpk s LYS 511 Ca 0.63 -0.27 -0.10 0.00 -1.01 0.00 0.00 55.97 55.22 1gpk s LYS 511 Cb -0.88 -0.61 -0.05 0.00 -1.01 0.00 0.00 37.83 35.29 1gpk s LYS 511 CO 0.57 0.16 0.25 0.08 0.51 0.00 0.00 175.35 176.92 1gpk s VAL 512 N -0.15 5.31 0.38 3.17 1.01 -1.26 -2.51 120.40 126.35 1gpk s VAL 512 Ca 0.03 0.48 0.04 0.00 0.00 0.00 0.00 61.98 62.53 1gpk s VAL 512 Cb -0.03 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 1gpk s VAL 512 CO -0.00 0.59 0.16 1.41 0.00 0.00 0.00 175.10 177.26 1gpk n HIS 513 N 1.99 0.03 -3.92 5.22 8.25 0.52 -4.97 115.22 122.34 1gpk n HIS 513 Ca -0.17 -2.54 -0.10 0.00 -0.26 0.00 0.00 57.72 54.65 1gpk n HIS 513 Cb 0.54 0.03 -0.10 0.00 1.12 0.00 0.00 29.99 31.57 1gpk n HIS 513 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1gpk s GLN 514 N -3.47 0.40 -0.92 -0.41 -0.21 -1.26 -1.62 119.66 112.16 1gpk s GLN 514 Ca 0.22 -0.47 -0.07 0.00 0.02 0.00 0.00 55.36 55.05 1gpk s GLN 514 Cb 0.01 0.16 -0.01 0.00 1.00 0.00 0.00 33.01 34.17 1gpk s GLN 514 CO 0.16 -0.08 0.74 0.54 -2.12 0.00 0.00 175.29 174.52 1gpk n ARG 515 N 1.56 -1.44 -1.59 2.91 1.74 -0.95 -4.81 116.66 114.09 1gpk n ARG 515 Ca -0.23 0.93 -0.53 0.00 -0.77 0.00 0.00 57.85 57.26 1gpk n ARG 515 Cb 0.55 -4.49 -0.07 0.00 -1.02 0.00 0.00 32.46 27.44 1gpk n ARG 515 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1gpk n LEU 516 N -2.90 2.50 -4.41 0.55 0.00 -1.26 -2.07 117.00 109.42 1gpk n LEU 516 Ca -0.11 0.76 -0.38 0.00 0.00 0.00 0.00 56.01 56.28 1gpk n LEU 516 Cb 0.58 -1.24 -0.08 0.00 0.00 0.00 0.00 43.42 42.68 1gpk n LEU 516 CO 0.61 -0.48 -0.26 0.54 0.00 0.00 0.00 177.39 177.80 1gpk n ARG 517 N 6.93 -0.79 -0.37 1.96 1.74 -1.26 -4.83 116.66 120.04 1gpk n ARG 517 Ca 0.32 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1gpk n ARG 517 Cb 0.21 -4.23 0.15 0.00 -1.02 0.00 0.00 32.46 27.56 1gpk n ARG 517 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1gpk h VAL 518 N -1.14 1.19 -0.16 1.55 3.04 -1.78 -1.47 116.25 117.48 1gpk h VAL 518 Ca -0.60 -0.44 0.03 0.00 -1.01 0.00 0.00 66.70 64.68 1gpk h VAL 518 Cb 1.36 -0.20 -0.03 0.00 -2.01 0.00 0.00 31.29 30.41 1gpk h VAL 518 CO 0.82 0.23 -0.02 -0.61 -1.01 0.00 0.00 177.57 176.98 1gpk h GLN 519 N 1.27 0.03 0.00 4.17 5.75 -1.88 -0.93 115.11 123.53 1gpk h GLN 519 Ca 0.39 -0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.75 1gpk h GLN 519 Cb -0.02 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 1gpk h GLN 519 CO -0.12 0.02 -0.67 0.52 -2.65 0.00 0.00 178.83 175.93 1gpk h MET 520 N 0.03 0.00 0.00 1.69 0.00 -1.90 -3.17 114.93 111.58 1gpk h MET 520 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 59.70 59.66 1gpk h MET 520 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 31.60 31.69 1gpk h MET 520 CO -0.15 0.67 -0.57 0.00 0.00 0.00 0.00 176.91 176.87 1gpk h VAL 522 N 0.00 1.25 0.22 0.00 2.07 -1.17 0.44 116.25 119.07 1gpk h VAL 522 Ca -0.01 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 1gpk h VAL 522 Cb 1.07 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1gpk h VAL 522 CO 0.07 0.38 -0.11 0.15 0.02 0.00 0.00 177.57 178.09 1gpk h PHE 523 N 0.78 -0.27 -0.14 1.57 3.57 -1.41 0.55 116.94 121.59 1gpk h PHE 523 Ca 0.14 -0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.48 1gpk h PHE 523 Cb 0.52 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1gpk h PHE 523 CO 0.03 -0.07 -0.59 -1.49 -2.23 0.00 0.00 178.31 173.96 1gpk h TRP 524 N -0.43 0.58 0.00 0.41 4.06 -1.12 0.24 115.95 119.70 1gpk h TRP 524 Ca -0.03 -0.22 -0.18 0.00 2.06 0.00 0.00 58.89 60.53 1gpk h TRP 524 Cb 0.33 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 28.35 1gpk h TRP 524 CO -0.02 0.93 -1.59 0.09 -3.56 0.00 0.00 178.44 174.28 1gpk n ASN 525 N -3.92 0.67 0.00 -3.49 3.02 0.15 -4.37 115.26 107.32 1gpk n ASN 525 Ca -0.03 0.29 -0.03 0.00 -0.03 0.00 0.00 54.58 54.78 1gpk n ASN 525 Cb 0.62 0.44 -0.01 0.00 -0.61 0.00 0.00 39.78 40.22 1gpk n ASN 525 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gpk n GLN 526 N -2.81 0.14 0.24 3.52 3.00 0.10 -4.77 117.38 116.80 1gpk n GLN 526 Ca -0.12 0.06 -0.13 0.00 -0.01 0.00 0.00 57.00 56.79 1gpk n GLN 526 Cb 0.85 -0.74 -0.07 0.00 0.00 0.00 0.00 30.24 30.28 1gpk n GLN 526 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 1gpk h PHE 527 N -0.25 -0.59 -0.73 1.08 3.57 -1.18 -3.09 116.94 115.74 1gpk h PHE 527 Ca -0.04 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.51 1gpk h PHE 527 Cb 0.44 0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.32 1gpk h PHE 527 CO -0.09 -0.27 0.43 1.25 -2.23 0.00 0.00 178.31 177.40 1gpk h LEU 528 N -0.99 0.66 -0.84 0.59 5.85 -0.76 -0.25 115.31 119.56 1gpk h LEU 528 Ca -0.07 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1gpk h LEU 528 Cb 0.59 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1gpk h LEU 528 CO 0.11 0.42 0.49 -0.65 -0.34 0.00 0.00 178.44 178.47 1gpk h PRO 529 N 0.79 1.16 -0.70 5.25 0.11 -1.76 -0.16 132.00 136.69 1gpk h PRO 529 Ca 0.32 -0.12 -0.07 0.00 0.11 0.00 0.00 66.00 66.24 1gpk h PRO 529 Cb 0.17 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 31.02 1gpk h PRO 529 CO -0.17 0.83 0.14 -0.22 -0.21 0.00 0.00 178.00 178.37 1gpk h LYS 530 N 1.17 1.13 -0.17 1.05 3.64 -1.29 -1.78 116.57 120.32 1gpk h LYS 530 Ca 0.30 -0.29 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1gpk h LYS 530 Cb -0.01 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1gpk h LYS 530 CO -0.05 1.01 0.01 1.25 -2.27 0.00 0.00 179.45 179.40 1gpk h LEU 531 N 1.07 0.29 -1.53 5.20 6.46 -0.53 -1.12 115.31 125.14 1gpk h LEU 531 Ca 0.22 -0.30 -0.05 0.00 -0.12 0.00 0.00 57.88 57.63 1gpk h LEU 531 Cb 0.41 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 1gpk h LEU 531 CO 0.01 0.52 -0.24 -0.07 -0.62 0.00 0.00 178.44 178.03 1gpk h LEU 532 N 0.05 0.00 -0.03 2.25 3.38 -0.98 -1.12 115.31 118.86 1gpk h LEU 532 Ca 0.05 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.77 1gpk h LEU 532 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1gpk h LEU 532 CO 0.01 0.24 -1.09 -1.13 0.09 0.00 0.00 178.44 176.56 1gpk h ASN 533 N 0.00 0.41 0.65 -0.43 -0.73 -1.17 -3.27 115.58 111.05 1gpk h ASN 533 Ca -0.00 -0.39 -0.19 0.00 1.87 0.00 0.00 56.30 57.59 1gpk h ASN 533 Cb 0.44 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 38.89 1gpk h ASN 533 CO 0.03 1.25 -0.85 0.00 -0.37 0.00 0.00 177.43 177.49 1gpk h ALA 534 N 0.70 0.57 -0.03 1.57 0.00 -0.90 -3.51 119.26 117.66 1gpk h ALA 534 Ca -0.10 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1gpk h ALA 534 Cb 1.78 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1gpk h ALA 534 CO 0.18 0.94 0.00 0.25 0.00 0.00 0.00 179.25 180.62