#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cek h GLU 5 N 0.00 0.00 -0.08 -1.46 4.81 -2.03 -1.71 114.58 114.11 2cek h GLU 5 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2cek h GLU 5 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2cek h GLU 5 CO 0.00 0.11 0.00 1.28 -0.73 0.00 0.00 179.01 179.67 2cek n LEU 6 N -3.81 1.50 -4.37 1.64 7.99 -1.26 -4.80 117.00 113.89 2cek n LEU 6 Ca -0.02 -0.56 -0.35 0.00 -0.01 0.00 0.00 56.01 55.08 2cek n LEU 6 Cb 0.21 -0.04 -0.14 0.00 -0.11 0.00 0.00 43.42 43.34 2cek n LEU 6 CO 0.31 0.28 -0.38 -0.22 -1.51 0.00 0.00 177.39 175.87 2cek s LEU 7 N -1.82 2.99 -0.04 2.23 1.98 -0.65 0.13 118.68 123.50 2cek s LEU 7 Ca 0.36 -0.31 0.02 0.00 -2.89 0.00 0.00 54.13 51.31 2cek s LEU 7 Cb 0.19 -1.75 0.01 0.00 0.66 0.00 0.00 46.19 45.31 2cek s LEU 7 CO 0.31 0.05 -0.09 -0.69 -1.89 0.00 0.00 176.35 174.03 2cek s VAL 8 N 1.09 0.85 -0.43 1.68 1.01 -0.48 -4.73 120.40 119.39 2cek s VAL 8 Ca 0.01 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 2cek s VAL 8 Cb -0.15 -0.79 0.04 0.00 0.00 0.00 0.00 36.38 35.48 2cek s VAL 8 CO -0.00 0.28 0.36 0.20 0.00 0.00 0.00 175.10 175.94 2cek s ASN 9 N 0.52 6.14 0.46 3.32 0.02 -1.26 -0.62 114.94 123.52 2cek s ASN 9 Ca -0.09 -0.98 0.08 0.00 -1.02 0.00 0.00 52.86 50.85 2cek s ASN 9 Cb -0.13 -2.18 0.02 0.00 0.02 0.00 0.00 41.25 38.98 2cek s ASN 9 CO 0.02 -0.54 0.57 0.42 0.02 0.00 0.00 177.10 177.58 2cek s THR 10 N 1.78 2.64 -0.22 1.60 -4.23 -0.24 -4.92 115.64 112.05 2cek s THR 10 Ca 0.06 -1.11 0.27 0.00 -1.18 0.00 0.00 61.69 59.73 2cek s THR 10 Cb -0.20 -2.75 0.29 0.00 1.34 0.00 0.00 72.50 71.18 2cek s THR 10 CO 0.10 0.00 1.81 0.11 -0.54 0.00 0.00 174.62 176.09 2cek h LYS 11 N 0.63 0.00 0.00 3.99 1.57 -1.93 -2.19 116.57 118.63 2cek h LYS 11 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2cek h LYS 11 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2cek h LYS 11 CO 0.48 0.00 -1.07 0.43 -0.57 0.00 0.00 179.45 178.72 2cek n SER 12 N -2.48 0.69 0.00 0.86 7.64 -1.26 -4.93 113.62 114.15 2cek n SER 12 Ca 0.01 -0.54 0.00 0.00 1.01 0.00 0.00 58.87 59.34 2cek n SER 12 Cb 0.19 0.97 0.00 0.00 -1.01 0.00 0.00 64.21 64.36 2cek n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cek n GLY 13 N 1.43 0.96 3.82 0.23 0.00 -0.82 -0.78 105.19 110.03 2cek n GLY 13 Ca 0.03 -1.85 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 2cek n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cek s LYS 14 N -1.21 4.18 0.02 1.61 1.02 -1.25 -1.08 119.74 123.04 2cek s LYS 14 Ca 0.00 0.82 0.03 0.00 0.02 0.00 0.00 55.97 56.85 2cek s LYS 14 Cb 0.00 -2.73 -0.02 0.00 -0.52 0.00 0.00 37.83 34.57 2cek s LYS 14 CO 0.00 0.31 -0.10 0.08 -0.92 0.00 0.00 175.35 174.72 2cek s VAL 15 N -1.68 0.81 -0.21 3.17 1.01 0.21 -0.49 120.40 123.21 2cek s VAL 15 Ca 0.47 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.72 2cek s VAL 15 Cb -0.15 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.53 2cek s VAL 15 CO 0.20 0.01 -0.15 -0.32 0.00 0.00 0.00 175.10 174.84 2cek s MET 16 N -0.82 2.78 0.00 2.72 1.75 0.16 -1.39 119.30 124.50 2cek s MET 16 Ca 0.00 -0.98 0.00 0.00 -1.25 0.00 0.00 55.69 53.46 2cek s MET 16 Cb -0.06 -2.74 0.00 0.00 2.84 0.00 0.00 34.83 34.87 2cek s MET 16 CO 0.00 -0.34 0.00 0.41 -0.65 0.00 0.00 175.02 174.45 2cek n GLY 17 N 4.58 0.51 3.00 2.11 0.00 0.12 -0.82 105.19 114.69 2cek n GLY 17 Ca -0.18 -1.85 -0.11 0.00 0.00 0.00 0.00 46.02 43.88 2cek n GLY 17 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2cek s THR 18 N 0.66 0.06 -0.17 2.61 -1.32 -0.15 -4.72 115.64 112.62 2cek s THR 18 Ca 0.00 -0.53 -0.25 0.00 -1.21 0.00 0.00 61.69 59.70 2cek s THR 18 Cb 0.00 -0.25 -0.02 0.00 -1.51 0.00 0.00 72.50 70.72 2cek s THR 18 CO 0.00 -0.29 0.83 -0.60 -2.21 0.00 0.00 174.62 172.35 2cek s ARG 19 N -0.91 4.30 -0.00 7.08 3.52 -1.26 -1.18 118.95 130.49 2cek s ARG 19 Ca -0.10 1.01 0.06 0.00 -0.13 0.00 0.00 55.73 56.57 2cek s ARG 19 Cb -0.06 -3.57 -0.03 0.00 -1.56 0.00 0.00 34.95 29.73 2cek s ARG 19 CO 0.00 -0.32 -0.19 0.14 -0.81 0.00 0.00 175.30 174.12 2cek s VAL 20 N 2.12 2.65 0.36 7.11 -7.23 0.02 -4.94 120.40 120.48 2cek s VAL 20 Ca 0.38 -1.03 -0.25 0.00 -1.81 0.00 0.00 61.98 59.28 2cek s VAL 20 Cb -0.17 -2.04 -0.10 0.00 0.56 0.00 0.00 36.38 34.64 2cek s VAL 20 CO 0.12 0.49 1.00 -2.16 -0.31 0.00 0.00 175.10 174.24 2cek s PRO 21 N -0.98 4.38 -0.29 4.82 0.04 -1.26 -1.53 135.00 140.17 2cek s PRO 21 Ca 0.12 1.41 -0.08 0.00 0.04 0.00 0.00 61.00 62.50 2cek s PRO 21 Cb -0.10 -2.66 0.14 0.00 0.04 0.00 0.00 34.50 31.92 2cek s PRO 21 CO 0.02 0.07 0.62 0.54 0.04 0.00 0.00 177.00 178.29 2cek s VAL 22 N -1.66 -0.97 -1.29 -0.36 0.11 -0.28 -4.92 120.40 111.02 2cek s VAL 22 Ca 0.54 0.01 -0.18 0.00 -2.93 0.00 0.00 61.98 59.42 2cek s VAL 22 Cb -0.20 -0.98 0.01 0.00 -1.53 0.00 0.00 36.38 33.69 2cek s VAL 22 CO 0.25 0.00 0.54 0.18 -3.33 0.00 0.00 175.10 172.74 2cek n LEU 23 N 5.44 -1.44 -0.37 2.54 4.77 -1.26 -0.69 117.00 126.00 2cek n LEU 23 Ca -0.10 -1.17 -0.05 0.00 -0.03 0.00 0.00 56.01 54.67 2cek n LEU 23 Cb 0.49 -1.94 -0.02 0.00 -2.33 0.00 0.00 43.42 39.63 2cek n LEU 23 CO -0.02 0.59 -0.05 -1.20 -1.33 0.00 0.00 177.39 175.38 2cek n SER 24 N -2.59 -4.62 0.00 -1.43 7.64 -1.26 -4.95 113.62 106.41 2cek n SER 24 Ca -0.19 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2cek n SER 24 Cb 0.62 -2.54 0.00 0.00 -1.01 0.00 0.00 64.21 61.28 2cek n SER 24 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2cek n SER 25 N -0.33 0.28 -3.69 6.43 2.88 0.13 -5.18 113.62 114.14 2cek n SER 25 Ca -0.05 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.39 2cek n SER 25 Cb 0.33 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.74 2cek n SER 25 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2cek s HIS 26 N -0.22 -0.13 0.29 0.66 3.76 -1.26 -1.13 115.29 117.26 2cek s HIS 26 Ca 0.00 -0.20 -0.11 0.00 -0.15 0.00 0.00 55.06 54.60 2cek s HIS 26 Cb 0.00 0.18 0.01 0.00 1.11 0.00 0.00 32.58 33.88 2cek s HIS 26 CO 0.00 -0.66 0.53 0.96 -0.85 0.00 0.00 174.74 174.73 2cek s ILE 27 N -3.72 0.00 0.02 0.60 -4.36 -0.58 -4.44 121.20 108.71 2cek s ILE 27 Ca 0.03 -1.38 -0.10 0.00 -0.26 0.00 0.00 60.65 58.94 2cek s ILE 27 Cb 0.02 -2.39 -0.05 0.00 1.25 0.00 0.00 42.46 41.29 2cek s ILE 27 CO -0.11 0.00 0.33 -0.44 0.24 0.00 0.00 174.94 174.96 2cek s SER 28 N -3.07 6.61 -0.06 4.36 0.01 -0.29 -0.80 113.70 120.45 2cek s SER 28 Ca 0.23 0.73 0.00 0.00 1.31 0.00 0.00 55.95 58.22 2cek s SER 28 Cb -0.01 -2.16 0.02 0.00 0.21 0.00 0.00 66.02 64.08 2cek s SER 28 CO 0.12 0.26 -0.04 0.00 0.41 0.00 0.00 173.24 173.99 2cek s ALA 29 N -1.26 0.76 -0.45 1.44 0.00 -0.33 -0.09 121.76 121.84 2cek s ALA 29 Ca 0.27 -0.13 -0.00 0.00 0.00 0.00 0.00 51.96 52.10 2cek s ALA 29 Cb -0.14 -0.55 0.12 0.00 0.00 0.00 0.00 23.12 22.55 2cek s ALA 29 CO 0.15 -0.15 0.22 -0.06 0.00 0.00 0.00 175.76 175.92 2cek s PHE 30 N 1.21 3.55 -0.01 0.00 0.40 0.82 -0.98 117.98 122.97 2cek s PHE 30 Ca -0.06 -2.72 -0.04 0.00 -0.60 0.00 0.00 56.93 53.52 2cek s PHE 30 Cb -0.14 -3.10 -0.04 0.00 0.51 0.00 0.00 43.02 40.25 2cek s PHE 30 CO -0.02 -0.91 0.19 -0.51 0.70 0.00 0.00 175.22 174.67 2cek s LEU 31 N 0.66 4.37 -0.79 -0.37 1.43 -0.02 -0.71 118.68 123.25 2cek s LEU 31 Ca 0.12 0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 53.58 2cek s LEU 31 Cb -0.22 -2.59 0.00 0.00 0.03 0.00 0.00 46.19 43.42 2cek s LEU 31 CO -0.04 0.27 0.31 0.61 0.23 0.00 0.00 176.35 177.73 2cek n GLY 32 N 1.03 0.07 3.68 -3.19 0.00 -1.18 -3.97 105.19 101.64 2cek n GLY 32 Ca -0.11 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 2cek n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cek s ILE 33 N -2.86 4.71 0.16 -0.61 1.01 -0.28 -4.80 121.20 118.52 2cek s ILE 33 Ca 0.16 1.99 -0.30 0.00 0.00 0.00 0.00 60.65 62.49 2cek s ILE 33 Cb -0.07 -4.28 -0.07 0.00 0.01 0.00 0.00 42.46 38.05 2cek s ILE 33 CO 0.19 -0.02 1.12 -2.16 0.00 0.00 0.00 174.94 174.07 2cek s PRO 34 N 2.18 4.57 0.00 2.79 0.04 -1.26 -0.76 135.00 142.56 2cek s PRO 34 Ca 0.49 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.26 2cek s PRO 34 Cb -0.19 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.07 2cek s PRO 34 CO 0.17 0.02 0.39 1.97 0.04 0.00 0.00 177.00 179.60 2cek n PHE 35 N 2.58 0.00 -3.67 0.56 1.16 -1.17 -4.89 117.46 112.03 2cek n PHE 35 Ca 0.04 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.51 2cek n PHE 35 Cb 0.46 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.28 2cek n PHE 35 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2cek s ALA 36 N -0.10 -0.83 0.35 1.98 0.00 -1.26 -3.31 121.76 118.60 2cek s ALA 36 Ca 0.00 -0.15 -0.27 0.00 0.00 0.00 0.00 51.96 51.55 2cek s ALA 36 Cb 0.00 0.69 -0.09 0.00 0.00 0.00 0.00 23.12 23.72 2cek s ALA 36 CO 0.00 -0.64 1.12 -1.21 0.00 0.00 0.00 175.76 175.03 2cek s GLU 37 N -3.82 4.33 -0.11 0.00 0.41 0.40 -4.45 118.70 115.46 2cek s GLU 37 Ca 0.04 1.76 -0.36 0.00 -0.41 0.00 0.00 54.97 55.99 2cek s GLU 37 Cb 0.02 -2.86 -0.14 0.00 -1.78 0.00 0.00 34.13 29.37 2cek s GLU 37 CO -0.11 -0.06 1.75 -2.30 -0.49 0.00 0.00 175.26 174.06 2cek n PRO 38 N 0.50 1.75 -1.22 0.39 -0.02 -1.26 -4.65 135.00 130.49 2cek n PRO 38 Ca 0.02 0.64 -0.35 0.00 -2.02 0.00 0.00 63.50 61.79 2cek n PRO 38 Cb 0.46 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.50 2cek n PRO 38 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2cek n PRO 39 N 5.50 3.38 -4.08 0.52 -0.04 -1.26 -4.89 135.00 134.13 2cek n PRO 39 Ca 0.23 -2.01 -0.23 0.00 -0.04 0.00 0.00 63.50 61.45 2cek n PRO 39 Cb 0.23 -2.69 -0.06 0.00 -0.04 0.00 0.00 33.50 30.95 2cek n PRO 39 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2cek s VAL 40 N 2.18 3.25 0.00 0.52 -7.23 -1.26 -3.69 120.40 114.16 2cek s VAL 40 Ca 0.67 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 2cek s VAL 40 Cb 0.19 -3.02 0.00 0.00 0.56 0.00 0.00 36.38 34.10 2cek s VAL 40 CO -0.05 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.13 2cek n GLY 41 N -1.16 3.04 0.00 2.32 0.00 -1.26 -1.71 105.19 106.42 2cek n GLY 41 Ca -0.04 -0.19 0.09 0.00 0.00 0.00 0.00 46.02 45.89 2cek n GLY 41 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2cek n ASN 42 N 6.70 0.00 -0.06 1.61 2.04 -1.26 -2.19 115.26 122.10 2cek n ASN 42 Ca 0.00 0.35 0.13 0.00 -0.44 0.00 0.00 54.58 54.62 2cek n ASN 42 Cb 0.00 -0.43 0.48 0.00 -2.53 0.00 0.00 39.78 37.30 2cek n ASN 42 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 2cek n MET 43 N -1.43 0.29 -1.76 -3.83 2.81 -0.70 -4.78 117.12 107.72 2cek n MET 43 Ca 0.06 -0.11 -0.42 0.00 -1.81 0.00 0.00 57.70 55.42 2cek n MET 43 Cb 0.19 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.18 2cek n MET 43 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 2cek s ARG 44 N -2.79 4.13 0.00 0.03 3.52 -0.93 -1.29 118.95 121.62 2cek s ARG 44 Ca 0.19 2.58 0.00 0.00 -0.13 0.00 0.00 55.73 58.37 2cek s ARG 44 Cb 0.19 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.52 2cek s ARG 44 CO 0.56 -0.70 0.00 1.19 -0.81 0.00 0.00 175.30 175.55 2cek n PHE 45 N 3.27 0.00 -2.28 5.12 3.72 -1.26 -4.90 117.46 121.13 2cek n PHE 45 Ca 0.13 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.25 2cek n PHE 45 Cb 0.36 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.93 2cek n PHE 45 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2cek s ARG 46 N -0.06 3.05 0.58 -1.08 0.52 -0.41 -4.20 118.95 117.34 2cek s ARG 46 Ca 0.00 0.18 -0.20 0.00 -0.52 0.00 0.00 55.73 55.19 2cek s ARG 46 Cb 0.00 -2.22 -0.04 0.00 0.52 0.00 0.00 34.95 33.21 2cek s ARG 46 CO 0.00 -0.69 1.26 1.03 0.02 0.00 0.00 175.30 176.92 2cek s ARG 47 N -5.05 3.01 0.58 3.54 0.52 -1.26 -4.90 118.95 115.39 2cek s ARG 47 Ca 0.54 1.97 -0.17 0.00 -0.52 0.00 0.00 55.73 57.54 2cek s ARG 47 Cb -0.11 -2.04 -0.04 0.00 0.52 0.00 0.00 34.95 33.28 2cek s ARG 47 CO 0.47 -1.21 1.08 -1.25 0.02 0.00 0.00 175.30 174.41 2cek s PRO 48 N -3.17 3.30 -0.05 3.54 0.04 -1.26 -5.05 135.00 132.35 2cek s PRO 48 Ca 0.76 1.36 0.03 0.00 0.04 0.00 0.00 61.00 63.20 2cek s PRO 48 Cb -0.34 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 2cek s PRO 48 CO 0.38 -0.84 -0.14 -1.21 0.04 0.00 0.00 177.00 175.23 2cek s GLU 49 N -3.75 2.52 0.52 4.56 0.41 -1.26 -5.02 118.70 116.68 2cek s GLU 49 Ca 0.67 -0.68 -0.22 0.00 -0.41 0.00 0.00 54.97 54.32 2cek s GLU 49 Cb -0.19 -2.39 -0.06 0.00 -1.78 0.00 0.00 34.13 29.71 2cek s GLU 49 CO 0.32 0.63 1.34 -0.35 -0.49 0.00 0.00 175.26 176.71 2cek n PRO 50 N 2.30 1.76 -2.06 0.39 -0.04 -1.26 -0.46 135.00 135.63 2cek n PRO 50 Ca -0.17 0.64 -0.42 0.00 -0.04 0.00 0.00 63.50 63.51 2cek n PRO 50 Cb 0.52 -2.54 -0.03 0.00 -0.04 0.00 0.00 33.50 31.41 2cek n PRO 50 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2cek s LYS 51 N -2.75 4.25 0.21 0.54 2.36 -1.21 -4.14 119.74 119.01 2cek s LYS 51 Ca 0.69 2.19 -0.31 0.00 -2.55 0.00 0.00 55.97 55.99 2cek s LYS 51 Cb -0.43 -3.43 -0.11 0.00 -1.05 0.00 0.00 37.83 32.81 2cek s LYS 51 CO 0.51 -0.60 1.56 0.15 1.55 0.00 0.00 175.35 178.52 2cek s LYS 52 N 1.96 4.20 0.56 4.03 1.02 -1.26 -4.92 119.74 125.32 2cek s LYS 52 Ca 0.69 2.42 -0.19 0.00 0.02 0.00 0.00 55.97 58.90 2cek s LYS 52 Cb -0.38 -3.11 -0.07 0.00 -0.52 0.00 0.00 37.83 33.75 2cek s LYS 52 CO 0.30 -0.58 0.78 -2.30 -0.92 0.00 0.00 175.35 172.62 2cek n PRO 53 N 3.25 0.79 -4.37 -1.68 -0.02 -1.26 -4.99 135.00 126.70 2cek n PRO 53 Ca 0.11 0.30 -0.27 0.00 -2.02 0.00 0.00 63.50 61.62 2cek n PRO 53 Cb 0.38 -1.93 -0.11 0.00 -0.02 0.00 0.00 33.50 31.82 2cek n PRO 53 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2cek s TRP 54 N -1.56 2.42 0.25 6.00 -2.14 0.04 -5.02 118.94 118.93 2cek s TRP 54 Ca 0.71 -0.31 -0.02 0.00 2.66 0.00 0.00 56.10 59.14 2cek s TRP 54 Cb -0.46 -1.20 -0.04 0.00 -3.10 0.00 0.00 33.47 28.67 2cek s TRP 54 CO 0.52 0.49 0.47 0.45 -2.66 0.00 0.00 176.95 176.22 2cek s SER 55 N -2.68 6.40 0.00 -2.66 0.15 -1.26 -4.48 113.70 109.17 2cek s SER 55 Ca 0.22 0.52 0.00 0.00 0.70 0.00 0.00 55.95 57.39 2cek s SER 55 Cb -0.08 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 2cek s SER 55 CO 0.11 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.03 2cek n GLY 56 N -0.90 -1.80 3.40 9.45 0.00 -1.26 -4.86 105.19 109.23 2cek n GLY 56 Ca -0.04 -1.49 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 2cek n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cek s VAL 57 N 0.00 3.61 -0.09 1.61 1.01 -1.26 -3.77 120.40 121.50 2cek s VAL 57 Ca 0.00 -0.44 -0.28 0.00 0.00 0.00 0.00 61.98 61.27 2cek s VAL 57 Cb 0.00 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 2cek s VAL 57 CO 0.00 0.46 0.91 0.86 0.00 0.00 0.00 175.10 177.32 2cek s TRP 58 N 0.91 3.53 -0.61 5.22 -0.11 0.35 -4.89 118.94 123.34 2cek s TRP 58 Ca -0.00 1.47 -0.28 0.00 1.22 0.00 0.00 56.10 58.51 2cek s TRP 58 Cb -0.15 -3.07 0.02 0.00 -1.50 0.00 0.00 33.47 28.78 2cek s TRP 58 CO 0.01 -0.13 1.34 1.21 -4.62 0.00 0.00 176.95 174.76 2cek s ASN 59 N 1.05 6.18 -0.66 5.86 2.47 -1.26 -0.67 114.94 127.91 2cek s ASN 59 Ca 0.45 0.07 0.01 0.00 0.42 0.00 0.00 52.86 53.81 2cek s ASN 59 Cb -0.18 -2.55 0.38 0.00 -1.45 0.00 0.00 41.25 37.45 2cek s ASN 59 CO 0.19 -1.71 1.60 0.00 -3.72 0.00 0.00 177.10 173.46 2cek n ALA 60 N 9.37 5.85 0.55 1.71 0.00 0.00 -4.65 120.51 133.34 2cek n ALA 60 Ca 0.10 -4.22 0.10 0.00 0.00 0.00 0.00 53.44 49.42 2cek n ALA 60 Cb 0.49 -1.33 -0.14 0.00 0.00 0.00 0.00 19.45 18.48 2cek n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2cek n SER 61 N -0.51 0.62 -4.15 0.00 3.41 -1.25 -0.85 113.62 110.90 2cek n SER 61 Ca 0.47 -0.56 -0.14 0.00 -0.26 0.00 0.00 58.87 58.38 2cek n SER 61 Cb 0.43 1.41 -0.11 0.00 -0.26 0.00 0.00 64.21 65.68 2cek n SER 61 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2cek s THR 62 N -3.16 0.86 0.70 6.66 -4.23 -1.26 -4.84 115.64 110.37 2cek s THR 62 Ca 0.01 -1.51 -0.16 0.00 -1.18 0.00 0.00 61.69 58.85 2cek s THR 62 Cb 0.15 -1.20 0.01 0.00 1.34 0.00 0.00 72.50 72.79 2cek s THR 62 CO 0.86 -0.51 1.10 -1.22 -0.54 0.00 0.00 174.62 174.31 2cek n TYR 63 N 0.78 1.15 -2.33 3.99 4.01 -1.26 -3.75 117.16 119.75 2cek n TYR 63 Ca -0.18 0.41 -0.26 0.00 -0.16 0.00 0.00 57.90 57.71 2cek n TYR 63 Cb 0.57 -2.15 0.16 0.00 -0.31 0.00 0.00 39.34 37.61 2cek n TYR 63 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2cek n PRO 64 N -1.97 -0.62 -1.57 -0.72 -0.04 -1.26 -4.84 135.00 123.98 2cek n PRO 64 Ca 0.14 -2.48 -0.31 0.00 -0.04 0.00 0.00 63.50 60.81 2cek n PRO 64 Cb 0.49 -0.97 0.05 0.00 -0.04 0.00 0.00 33.50 33.03 2cek n PRO 64 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2cek s ASN 65 N -5.46 5.26 0.13 3.54 0.01 -1.26 -4.81 114.94 112.35 2cek s ASN 65 Ca 0.71 1.68 -0.03 0.00 -0.71 0.00 0.00 52.86 54.52 2cek s ASN 65 Cb -0.03 -2.50 -0.05 0.00 0.41 0.00 0.00 41.25 39.08 2cek s ASN 65 CO 0.48 -1.52 0.33 0.20 -1.51 0.00 0.00 177.10 175.08 2cek s ASN 66 N -3.60 6.43 0.77 -1.22 0.02 -0.60 -4.74 114.94 112.00 2cek s ASN 66 Ca 0.59 0.46 -0.13 0.00 -1.02 0.00 0.00 52.86 52.76 2cek s ASN 66 Cb -0.15 -2.04 0.06 0.00 0.02 0.00 0.00 41.25 39.14 2cek s ASN 66 CO 0.53 0.07 1.15 0.00 0.02 0.00 0.00 177.10 178.87 2cek s GLN 68 N -4.32 4.16 0.18 0.00 -1.52 -1.23 -4.58 119.66 112.35 2cek s GLN 68 Ca 0.68 2.50 -0.23 0.00 -1.95 0.00 0.00 55.36 56.36 2cek s GLN 68 Cb -0.23 -3.08 0.06 0.00 -0.22 0.00 0.00 33.01 29.53 2cek s GLN 68 CO 0.50 -0.63 0.69 1.14 -0.25 0.00 0.00 175.29 176.74 2cek s GLN 69 N 0.39 1.38 0.42 2.91 -2.07 -1.26 -4.67 119.66 116.74 2cek s GLN 69 Ca 0.68 -0.62 -0.25 0.00 -1.82 0.00 0.00 55.36 53.34 2cek s GLN 69 Cb -0.47 0.56 -0.08 0.00 -1.09 0.00 0.00 33.01 31.93 2cek s GLN 69 CO 0.39 -0.62 1.27 -0.47 -1.32 0.00 0.00 175.29 174.55 2cek s TYR 70 N -3.70 2.83 -0.17 9.60 5.04 -1.26 -5.01 117.35 124.69 2cek s TYR 70 Ca 0.05 1.44 -0.00 0.00 -2.44 0.00 0.00 57.07 56.12 2cek s TYR 70 Cb -0.03 -3.61 -0.00 0.00 0.35 0.00 0.00 41.96 38.67 2cek s TYR 70 CO -0.05 -1.97 -0.14 0.08 -1.34 0.00 0.00 175.55 172.13 2cek s VAL 71 N -1.31 2.73 -0.12 3.14 1.01 -1.26 -4.92 120.40 119.67 2cek s VAL 71 Ca 0.58 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 2cek s VAL 71 Cb -0.36 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 2cek s VAL 71 CO 0.46 0.50 1.55 -0.62 0.00 0.00 0.00 175.10 176.99 2cek s ASP 72 N 0.97 6.66 -0.07 3.32 2.15 -1.26 -4.87 116.67 123.58 2cek s ASP 72 Ca -0.02 1.95 0.10 0.00 0.43 0.00 0.00 52.55 55.01 2cek s ASP 72 Cb -0.15 -2.53 0.15 0.00 -0.30 0.00 0.00 42.92 40.09 2cek s ASP 72 CO -0.02 -0.97 1.06 -0.62 -0.17 0.00 0.00 175.17 174.45 2cek n GLU 73 N 7.14 1.81 -0.32 4.34 1.02 -1.26 -4.79 120.64 128.58 2cek n GLU 73 Ca 0.17 -1.98 0.02 0.00 -0.02 0.00 0.00 57.16 55.35 2cek n GLU 73 Cb 0.44 -1.21 0.21 0.00 -0.02 0.00 0.00 31.44 30.86 2cek n GLU 73 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2cek h GLN 74 N 0.00 1.08 -2.27 3.49 5.75 -2.01 -3.30 115.11 117.85 2cek h GLN 74 Ca 0.00 -0.06 -0.58 0.00 -0.15 0.00 0.00 58.65 57.85 2cek h GLN 74 Cb 0.83 -0.24 -0.40 0.00 1.07 0.00 0.00 27.48 28.74 2cek h GLN 74 CO 0.00 0.71 -0.87 1.19 -2.65 0.00 0.00 178.83 177.21 2cek n PHE 75 N -4.46 1.07 -1.69 3.99 3.72 -1.26 -5.10 117.46 113.72 2cek n PHE 75 Ca 0.13 -3.77 -0.58 0.00 -0.05 0.00 0.00 57.45 53.19 2cek n PHE 75 Cb 0.14 -0.32 -0.07 0.00 -0.94 0.00 0.00 39.48 38.30 2cek n PHE 75 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2cek n PRO 76 N 1.63 1.01 0.00 -1.08 -0.02 -1.25 -0.73 135.00 134.56 2cek n PRO 76 Ca 0.25 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2cek n PRO 76 Cb 0.46 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 2cek n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2cek n GLY 77 N 3.81 2.73 3.67 -1.23 0.00 -1.26 -5.00 105.19 107.92 2cek n GLY 77 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2cek n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2cek s PHE 78 N -2.04 2.60 0.36 1.61 5.36 0.09 -4.89 117.98 121.07 2cek s PHE 78 Ca 0.00 0.69 0.05 0.00 -0.96 0.00 0.00 56.93 56.71 2cek s PHE 78 Cb 0.00 -3.70 0.70 0.00 -0.34 0.00 0.00 43.02 39.68 2cek s PHE 78 CO 0.00 -2.66 1.96 0.66 -1.46 0.00 0.00 175.22 173.72 2cek h SER 79 N 8.41 0.52 -1.00 6.13 4.64 -1.94 -1.18 113.55 129.12 2cek h SER 79 Ca -0.35 -0.06 0.20 0.00 -0.47 0.00 0.00 61.79 61.11 2cek h SER 79 Cb 1.16 -0.13 -0.11 0.00 -0.31 0.00 0.00 62.40 63.01 2cek h SER 79 CO 0.93 0.48 0.61 1.23 -0.87 0.00 0.00 176.83 179.22 2cek h GLY 80 N 0.74 1.77 0.07 -0.77 0.00 -1.95 -1.75 103.07 101.18 2cek h GLY 80 Ca 0.14 -0.35 -0.38 0.00 0.00 0.00 0.00 47.33 46.74 2cek h GLY 80 CO -0.01 -0.08 -2.39 -1.14 0.00 0.00 0.00 176.54 172.93 2cek n SER 81 N -4.76 0.99 0.18 0.19 3.41 -1.10 -4.43 113.62 108.10 2cek n SER 81 Ca 0.24 -0.04 0.06 0.00 -0.26 0.00 0.00 58.87 58.87 2cek n SER 81 Cb 0.59 0.26 0.53 0.00 -0.26 0.00 0.00 64.21 65.33 2cek n SER 81 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2cek h GLU 82 N 0.00 0.15 0.00 4.33 4.39 -1.05 -2.39 114.58 120.01 2cek h GLU 82 Ca -0.55 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.14 2cek h GLU 82 Cb 2.08 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.70 2cek h GLU 82 CO -0.02 0.17 0.00 0.00 -1.16 0.00 0.00 179.01 178.00 2cek n MET 83 N -4.44 0.10 -0.00 2.33 0.00 -0.67 -1.61 117.12 112.82 2cek n MET 83 Ca -0.01 0.55 0.09 0.00 0.00 0.00 0.00 57.70 58.32 2cek n MET 83 Cb 0.14 -1.79 -0.12 0.00 0.00 0.00 0.00 33.22 31.45 2cek n MET 83 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 2cek n TRP 84 N -2.00 0.00 -1.85 3.17 7.02 -0.90 -4.73 117.44 118.14 2cek n TRP 84 Ca -0.00 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.16 2cek n TRP 84 Cb 0.06 -0.20 0.02 0.00 -2.42 0.00 0.00 31.31 28.78 2cek n TRP 84 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2cek s ASN 85 N -3.36 5.80 0.23 -0.99 0.01 -0.64 -4.73 114.94 111.26 2cek s ASN 85 Ca 0.01 1.62 -0.32 0.00 -0.71 0.00 0.00 52.86 53.46 2cek s ASN 85 Cb 0.13 -2.50 -0.13 0.00 0.41 0.00 0.00 41.25 39.16 2cek s ASN 85 CO 0.76 -1.16 1.55 -2.65 -1.51 0.00 0.00 177.10 174.09 2cek n PRO 86 N -2.59 2.37 -0.22 -0.60 -0.02 -1.26 -4.87 135.00 127.80 2cek n PRO 86 Ca 0.07 0.85 0.06 0.00 -2.02 0.00 0.00 63.50 62.46 2cek n PRO 86 Cb 0.53 -2.60 0.17 0.00 -0.02 0.00 0.00 33.50 31.59 2cek n PRO 86 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2cek n ASN 87 N 2.74 3.10 -4.30 2.55 2.04 -1.26 -4.96 115.26 115.17 2cek n ASN 87 Ca 0.13 -2.15 -0.19 0.00 -0.44 0.00 0.00 54.58 51.93 2cek n ASN 87 Cb 0.33 -0.28 -0.10 0.00 -2.53 0.00 0.00 39.78 37.19 2cek n ASN 87 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 2cek s ARG 88 N -1.27 1.55 0.39 -3.83 1.81 -1.26 -5.11 118.95 111.24 2cek s ARG 88 Ca 0.27 -1.86 -0.26 0.00 -1.72 0.00 0.00 55.73 52.15 2cek s ARG 88 Cb 0.16 -0.45 -0.09 0.00 -0.45 0.00 0.00 34.95 34.12 2cek s ARG 88 CO 0.15 -0.30 1.22 -2.00 -0.68 0.00 0.00 175.30 173.69 2cek s GLU 89 N -3.94 4.06 0.28 3.54 2.12 -1.26 -4.60 118.70 118.89 2cek s GLU 89 Ca 0.36 1.97 -0.14 0.00 0.36 0.00 0.00 54.97 57.52 2cek s GLU 89 Cb 0.07 -2.74 -0.08 0.00 0.26 0.00 0.00 34.13 31.63 2cek s GLU 89 CO 0.15 -0.36 0.68 -1.64 -0.54 0.00 0.00 175.26 173.55 2cek s MET 90 N -2.22 3.98 -0.18 4.30 -1.94 -1.26 -1.56 119.30 120.43 2cek s MET 90 Ca 0.56 0.59 -0.29 0.00 -1.71 0.00 0.00 55.69 54.84 2cek s MET 90 Cb -0.34 -2.57 0.13 0.00 2.01 0.00 0.00 34.83 34.06 2cek s MET 90 CO 0.43 0.25 1.01 0.45 -0.01 0.00 0.00 175.02 177.15 2cek s SER 91 N -2.18 -0.37 0.54 3.03 0.15 -0.37 -4.89 113.70 109.61 2cek s SER 91 Ca 0.50 0.45 0.33 0.00 0.70 0.00 0.00 55.95 57.94 2cek s SER 91 Cb -0.12 0.37 1.37 0.00 -1.71 0.00 0.00 66.02 65.93 2cek s SER 91 CO 0.19 -0.31 1.98 -0.33 1.20 0.00 0.00 173.24 175.96 2cek h GLU 92 N 2.75 0.00 -5.26 5.44 5.08 -1.94 -3.26 114.58 117.39 2cek h GLU 92 Ca -0.19 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.47 2cek h GLU 92 Cb 1.16 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.27 2cek h GLU 92 CO 0.28 0.00 1.50 0.34 -1.00 0.00 0.00 179.01 180.13 2cek s ASP 93 N -5.60 6.86 0.00 1.42 3.68 -1.26 -4.28 116.67 117.49 2cek s ASP 93 Ca 0.01 -2.48 0.00 0.00 2.13 0.00 0.00 52.55 52.21 2cek s ASP 93 Cb 0.09 -2.47 0.00 0.00 -1.45 0.00 0.00 42.92 39.09 2cek s ASP 93 CO 0.53 -1.01 0.47 0.00 0.13 0.00 0.00 175.17 175.29 2cek s LEU 95 N -0.14 3.98 0.15 0.00 1.43 -1.26 -4.71 118.68 118.11 2cek s LEU 95 Ca 0.00 -1.86 0.00 0.00 -1.03 0.00 0.00 54.13 51.24 2cek s LEU 95 Cb 0.00 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 2cek s LEU 95 CO 0.00 -1.31 0.03 -0.31 0.23 0.00 0.00 176.35 175.00 2cek s TYR 96 N 4.15 0.99 0.09 0.29 1.51 -1.26 -3.02 117.35 120.10 2cek s TYR 96 Ca 0.45 -1.14 0.02 0.00 -1.01 0.00 0.00 57.07 55.39 2cek s TYR 96 Cb -0.00 -0.57 -0.04 0.00 -0.11 0.00 0.00 41.96 41.24 2cek s TYR 96 CO -0.06 -0.39 -0.07 -0.48 -1.11 0.00 0.00 175.55 173.44 2cek s LEU 97 N -3.10 2.45 0.06 -1.29 0.05 0.06 -2.97 118.68 113.95 2cek s LEU 97 Ca 0.23 -0.89 0.09 0.00 0.05 0.00 0.00 54.13 53.61 2cek s LEU 97 Cb 0.07 -0.13 -0.03 0.00 -2.05 0.00 0.00 46.19 44.05 2cek s LEU 97 CO 0.02 -0.38 -0.24 0.20 -0.55 0.00 0.00 176.35 175.40 2cek s ASN 98 N -2.69 2.91 -0.06 1.48 -0.87 -0.36 -1.13 114.94 114.23 2cek s ASN 98 Ca 0.07 -0.60 0.00 0.00 -1.57 0.00 0.00 52.86 50.76 2cek s ASN 98 Cb 0.01 -0.24 0.02 0.00 -0.02 0.00 0.00 41.25 41.03 2cek s ASN 98 CO -0.03 0.20 -0.03 -0.63 -2.57 0.00 0.00 177.10 174.04 2cek s ILE 99 N -0.88 0.49 -0.22 0.60 1.01 0.12 -1.69 121.20 120.63 2cek s ILE 99 Ca 0.10 -0.03 -0.07 0.00 0.00 0.00 0.00 60.65 60.65 2cek s ILE 99 Cb -0.10 -0.57 -0.03 0.00 0.01 0.00 0.00 42.46 41.78 2cek s ILE 99 CO 0.03 0.24 0.05 0.26 0.00 0.00 0.00 174.94 175.52 2cek s TRP 100 N 1.35 3.12 -0.10 3.97 0.51 -0.27 -0.12 118.94 127.39 2cek s TRP 100 Ca -0.04 -0.26 0.03 0.00 -2.12 0.00 0.00 56.10 53.71 2cek s TRP 100 Cb -0.13 -2.15 0.00 0.00 -0.81 0.00 0.00 33.47 30.38 2cek s TRP 100 CO -0.02 -0.17 -0.22 0.08 -0.51 0.00 0.00 176.95 176.11 2cek s VAL 101 N 1.08 1.90 0.80 4.03 1.01 0.87 -2.07 120.40 128.01 2cek s VAL 101 Ca 0.04 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 2cek s VAL 101 Cb -0.14 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.61 2cek s VAL 101 CO 0.03 0.52 0.82 -2.65 0.00 0.00 0.00 175.10 173.82 2cek n PRO 102 N 3.67 0.17 -4.28 2.72 -0.02 -1.26 -1.14 135.00 134.85 2cek n PRO 102 Ca -0.20 0.12 -0.26 0.00 -2.02 0.00 0.00 63.50 61.14 2cek n PRO 102 Cb 0.53 -2.12 -0.17 0.00 -0.02 0.00 0.00 33.50 31.72 2cek n PRO 102 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2cek s SER 103 N -1.85 2.03 0.62 2.55 0.15 -1.26 -2.90 113.70 113.05 2cek s SER 103 Ca 0.68 -0.32 -0.18 0.00 0.70 0.00 0.00 55.95 56.83 2cek s SER 103 Cb -0.30 -0.87 -0.02 0.00 -1.71 0.00 0.00 66.02 63.11 2cek s SER 103 CO 0.56 -0.03 1.22 -2.16 1.20 0.00 0.00 173.24 174.03 2cek s PRO 104 N 1.14 2.80 0.09 5.44 0.04 -1.26 -4.97 135.00 138.28 2cek s PRO 104 Ca -0.05 1.86 -0.36 0.00 0.04 0.00 0.00 61.00 62.49 2cek s PRO 104 Cb -0.14 -1.90 -0.15 0.00 0.04 0.00 0.00 34.50 32.34 2cek s PRO 104 CO -0.02 -1.35 1.47 -2.13 0.04 0.00 0.00 177.00 175.01 2cek n ARG 105 N -1.78 1.57 -1.08 4.56 0.63 -1.14 -4.95 116.66 114.47 2cek n ARG 105 Ca 0.14 0.57 -0.29 0.00 -0.92 0.00 0.00 57.85 57.35 2cek n ARG 105 Cb 0.49 -2.27 0.18 0.00 0.45 0.00 0.00 32.46 31.31 2cek n ARG 105 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 2cek s PRO 106 N 0.91 0.44 -0.24 -0.14 0.02 -1.26 -4.99 135.00 129.74 2cek s PRO 106 Ca 0.83 0.65 -0.09 0.00 0.02 0.00 0.00 61.00 62.42 2cek s PRO 106 Cb -0.84 -1.73 -0.17 0.00 0.02 0.00 0.00 34.50 31.78 2cek s PRO 106 CO 0.44 -2.76 -0.13 1.63 -0.33 0.00 0.00 177.00 175.85 2cek n LYS 107 N -4.21 0.63 -2.75 5.54 4.76 -1.26 -3.96 118.16 116.91 2cek n LYS 107 Ca 0.05 0.27 -0.05 0.00 -2.87 0.00 0.00 58.31 55.71 2cek n LYS 107 Cb 0.56 -1.57 0.02 0.00 -1.84 0.00 0.00 35.03 32.21 2cek n LYS 107 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2cek n SER 108 N -3.83 -3.25 -4.82 4.39 2.88 -1.06 -4.45 113.62 103.48 2cek n SER 108 Ca -0.46 -2.95 -0.22 0.00 -1.33 0.00 0.00 58.87 53.92 2cek n SER 108 Cb 0.92 1.74 -0.05 0.00 -0.75 0.00 0.00 64.21 66.07 2cek n SER 108 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2cek s THR 109 N 0.82 3.05 0.28 2.46 -1.32 0.29 -4.57 115.64 116.66 2cek s THR 109 Ca 0.30 -1.48 -0.29 0.00 -1.21 0.00 0.00 61.69 59.01 2cek s THR 109 Cb 0.06 -3.06 -0.13 0.00 -1.51 0.00 0.00 72.50 67.86 2cek s THR 109 CO -0.10 -0.11 1.24 0.41 -2.21 0.00 0.00 174.62 173.84 2cek n THR 110 N -1.35 1.60 -5.17 5.08 -1.04 -1.26 -0.51 114.28 111.63 2cek n THR 110 Ca -0.01 -0.40 -0.32 0.00 -2.04 0.00 0.00 64.05 61.28 2cek n THR 110 Cb 0.61 -1.33 -0.16 0.00 -1.82 0.00 0.00 70.33 67.63 2cek n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2cek s VAL 111 N -0.71 2.29 -0.12 12.58 1.01 -0.83 -1.41 120.40 133.21 2cek s VAL 111 Ca 0.61 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2cek s VAL 111 Cb -0.65 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 33.89 2cek s VAL 111 CO 0.57 0.57 -0.15 -0.04 0.00 0.00 0.00 175.10 176.05 2cek s MET 112 N -0.21 2.29 -0.25 2.72 -1.94 -0.61 -0.30 119.30 121.00 2cek s MET 112 Ca -0.02 -0.58 -0.04 0.00 -1.71 0.00 0.00 55.69 53.34 2cek s MET 112 Cb -0.13 -1.97 0.01 0.00 2.01 0.00 0.00 34.83 34.75 2cek s MET 112 CO 0.03 -0.09 -0.01 0.08 -0.01 0.00 0.00 175.02 175.02 2cek s VAL 113 N 1.08 3.42 -0.06 -6.03 1.01 0.30 0.24 120.40 120.35 2cek s VAL 113 Ca -0.04 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.03 2cek s VAL 113 Cb -0.15 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 2cek s VAL 113 CO -0.03 0.25 0.58 0.86 0.00 0.00 0.00 175.10 176.76 2cek s TRP 114 N 1.44 3.59 -0.27 5.22 -0.11 0.24 -0.58 118.94 128.49 2cek s TRP 114 Ca 0.03 1.10 0.01 0.00 1.22 0.00 0.00 56.10 58.46 2cek s TRP 114 Cb -0.16 -2.64 0.05 0.00 -1.50 0.00 0.00 33.47 29.22 2cek s TRP 114 CO -0.02 0.22 -0.07 0.42 -4.62 0.00 0.00 176.95 172.87 2cek s ILE 115 N 0.37 2.50 0.65 5.86 1.01 0.36 -2.17 121.20 129.78 2cek s ILE 115 Ca 0.31 -1.45 -0.16 0.00 0.00 0.00 0.00 60.65 59.35 2cek s ILE 115 Cb -0.17 -2.42 -0.00 0.00 0.01 0.00 0.00 42.46 39.88 2cek s ILE 115 CO 0.15 0.00 1.14 -0.72 0.00 0.00 0.00 174.94 175.51 2cek s TYR 116 N 1.19 2.51 0.00 3.97 -0.85 -1.26 -3.50 117.35 119.40 2cek s TYR 116 Ca -0.06 1.56 0.00 0.00 -0.52 0.00 0.00 57.07 58.05 2cek s TYR 116 Cb -0.19 -3.26 0.00 0.00 0.38 0.00 0.00 41.96 38.89 2cek s TYR 116 CO -0.04 -1.87 0.00 0.41 -1.52 0.00 0.00 175.55 172.53 2cek n GLY 117 N -0.18 1.43 0.00 5.49 0.00 -1.18 -3.62 105.19 107.13 2cek n GLY 117 Ca 0.11 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.14 2cek n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cek n GLY 118 N 5.00 0.88 2.18 -0.02 0.00 -1.26 -4.12 105.19 107.85 2cek n GLY 118 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2cek n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cek n GLY 119 N 0.00 1.22 3.08 -0.02 0.00 -1.26 -1.28 105.19 106.93 2cek n GLY 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2cek n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2cek n PHE 120 N -2.17 0.00 0.16 1.61 3.72 -1.26 -4.75 117.46 114.77 2cek n PHE 120 Ca -0.15 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.26 2cek n PHE 120 Cb 0.51 -1.08 -0.01 0.00 -0.94 0.00 0.00 39.48 37.96 2cek n PHE 120 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2cek n TYR 121 N -2.21 0.00 -3.81 1.38 0.18 -0.62 -0.77 117.16 111.31 2cek n TYR 121 Ca 0.00 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.68 2cek n TYR 121 Cb 0.16 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.13 2cek n TYR 121 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 2cek n SER 122 N -0.86 -1.63 0.00 9.48 3.41 -0.40 -4.08 113.62 119.54 2cek n SER 122 Ca 0.01 -2.47 0.00 0.00 -0.26 0.00 0.00 58.87 56.14 2cek n SER 122 Cb 0.06 2.81 0.00 0.00 -0.26 0.00 0.00 64.21 66.82 2cek n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cek n GLY 123 N -0.47 3.87 3.25 5.00 0.00 -1.26 -4.10 105.19 111.48 2cek n GLY 123 Ca -0.04 -1.59 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 2cek n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cek s SER 124 N 0.00 -0.26 0.00 1.61 0.01 -1.26 -4.65 113.70 109.14 2cek s SER 124 Ca 0.00 0.31 0.27 0.00 1.31 0.00 0.00 55.95 57.84 2cek s SER 124 Cb 0.00 0.45 0.88 0.00 0.21 0.00 0.00 66.02 67.57 2cek s SER 124 CO 0.00 -0.35 1.64 -1.54 0.41 0.00 0.00 173.24 173.41 2cek n SER 125 N 1.79 1.08 -1.01 2.44 3.41 -1.26 -4.09 113.62 115.98 2cek n SER 125 Ca -0.19 -1.01 0.11 0.00 -0.26 0.00 0.00 58.87 57.52 2cek n SER 125 Cb 0.56 0.08 0.16 0.00 -0.26 0.00 0.00 64.21 64.76 2cek n SER 125 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2cek n THR 126 N -0.48 0.34 -1.69 6.66 -2.24 -1.26 -4.85 114.28 110.75 2cek n THR 126 Ca 0.14 -0.67 -0.39 0.00 -2.27 0.00 0.00 64.05 60.86 2cek n THR 126 Cb 0.34 1.13 0.04 0.00 -2.10 0.00 0.00 70.33 69.74 2cek n THR 126 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2cek n LEU 127 N 1.33 4.64 0.08 3.22 4.77 -1.26 -4.87 117.00 124.91 2cek n LEU 127 Ca 0.16 0.95 0.06 0.00 -0.03 0.00 0.00 56.01 57.16 2cek n LEU 127 Cb 0.57 -1.50 0.51 0.00 -2.33 0.00 0.00 43.42 40.66 2cek n LEU 127 CO 0.14 -1.00 1.13 0.44 -1.33 0.00 0.00 177.39 176.78 2cek h ASP 128 N 1.27 0.30 0.65 -1.43 3.32 -1.95 -0.01 116.42 118.56 2cek h ASP 128 Ca -0.49 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2cek h ASP 128 Cb 1.32 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2cek h ASP 128 CO 0.56 0.21 0.00 0.55 -1.72 0.00 0.00 179.24 178.84 2cek n VAL 129 N -4.49 0.77 -0.23 -1.35 3.14 -1.26 -2.39 118.33 112.51 2cek n VAL 129 Ca 0.02 0.18 0.07 0.00 -2.96 0.00 0.00 64.34 61.65 2cek n VAL 129 Cb 0.10 -0.90 0.20 0.00 -1.06 0.00 0.00 33.84 32.18 2cek n VAL 129 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 2cek n TYR 130 N -1.59 0.61 -1.58 1.45 4.01 -0.03 -4.65 117.16 115.38 2cek n TYR 130 Ca 0.04 -0.50 -0.45 0.00 -0.16 0.00 0.00 57.90 56.83 2cek n TYR 130 Cb 0.22 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.19 2cek n TYR 130 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2cek n ASN 131 N 0.82 3.14 -0.00 7.72 2.85 -1.01 -4.85 115.26 123.94 2cek n ASN 131 Ca 0.15 0.35 0.16 0.00 -0.11 0.00 0.00 54.58 55.14 2cek n ASN 131 Cb 0.48 -1.49 0.95 0.00 1.24 0.00 0.00 39.78 40.96 2cek n ASN 131 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2cek n GLY 132 N 5.72 -1.00 0.29 8.20 0.00 -1.26 -4.15 105.19 112.99 2cek n GLY 132 Ca 0.31 -0.20 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 2cek n GLY 132 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2cek h LYS 133 N 0.00 0.81 -0.26 1.61 2.10 -1.92 -0.86 116.57 118.06 2cek h LYS 133 Ca 0.00 -0.19 -0.03 0.00 -2.00 0.00 0.00 60.65 58.43 2cek h LYS 133 Cb 0.00 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.21 2cek h LYS 133 CO 0.00 0.78 0.05 1.88 -2.00 0.00 0.00 179.45 180.16 2cek h TYR 134 N 0.77 0.45 -0.22 0.07 0.05 -1.80 -0.03 116.97 116.27 2cek h TYR 134 Ca 0.16 -0.06 -0.07 0.00 0.05 0.00 0.00 58.73 58.81 2cek h TYR 134 Cb 0.38 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 37.99 2cek h TYR 134 CO 0.02 0.53 -0.14 1.25 -1.05 0.00 0.00 178.16 178.77 2cek h LEU 135 N 0.25 0.50 -0.43 3.88 5.85 -1.70 0.62 115.31 124.27 2cek h LEU 135 Ca 0.08 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2cek h LEU 135 Cb 0.31 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2cek h LEU 135 CO 0.00 0.83 0.28 0.00 -0.34 0.00 0.00 178.44 179.21 2cek h ALA 136 N 0.69 0.54 0.38 1.25 0.00 -1.14 -1.34 119.26 119.64 2cek h ALA 136 Ca 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2cek h ALA 136 Cb 0.66 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2cek h ALA 136 CO 0.04 0.00 -0.18 -0.92 0.00 0.00 0.00 179.25 178.19 2cek h TYR 137 N 0.58 -0.47 -0.77 0.00 3.20 -0.96 -0.29 116.97 118.26 2cek h TYR 137 Ca 0.16 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 2cek h TYR 137 Cb -0.05 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 2cek h TYR 137 CO -0.04 -0.14 0.41 1.15 -1.64 0.00 0.00 178.16 177.89 2cek h THR 138 N -0.84 1.24 -0.03 1.81 2.02 -0.87 -3.17 112.91 113.08 2cek h THR 138 Ca -0.05 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.51 2cek h THR 138 Cb 0.54 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 2cek h THR 138 CO 0.09 0.27 -0.03 -0.62 0.37 0.00 0.00 175.52 175.60 2cek n GLU 139 N -4.41 1.87 -3.45 6.66 -0.58 -0.51 -5.00 120.64 115.21 2cek n GLU 139 Ca 0.07 -1.70 -0.20 0.00 -0.42 0.00 0.00 57.16 54.92 2cek n GLU 139 Cb 0.11 -1.40 0.06 0.00 -0.57 0.00 0.00 31.44 29.64 2cek n GLU 139 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2cek n GLU 140 N 1.10 -3.52 -4.32 3.49 1.02 -0.15 -5.03 120.64 113.22 2cek n GLU 140 Ca 0.12 0.74 -0.19 0.00 -0.02 0.00 0.00 57.16 57.81 2cek n GLU 140 Cb 0.52 -5.42 -0.11 0.00 -0.02 0.00 0.00 31.44 26.41 2cek n GLU 140 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2cek s VAL 141 N -3.45 1.70 -0.42 2.62 -7.23 -0.98 -4.65 120.40 107.98 2cek s VAL 141 Ca 0.27 -2.03 -0.22 0.00 -1.81 0.00 0.00 61.98 58.19 2cek s VAL 141 Cb -0.05 -1.89 0.02 0.00 0.56 0.00 0.00 36.38 35.01 2cek s VAL 141 CO 0.77 -0.47 0.74 -0.69 -0.31 0.00 0.00 175.10 175.14 2cek s VAL 142 N -2.52 4.73 -0.24 1.32 1.01 -0.50 -4.46 120.40 119.74 2cek s VAL 142 Ca 0.18 0.46 -0.13 0.00 0.00 0.00 0.00 61.98 62.49 2cek s VAL 142 Cb -0.03 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 2cek s VAL 142 CO 0.06 -0.60 0.26 -0.22 0.00 0.00 0.00 175.10 174.60 2cek s LEU 143 N 3.09 4.09 -0.02 3.92 1.98 -0.88 -1.57 118.68 129.30 2cek s LEU 143 Ca 0.28 0.22 0.06 0.00 -2.89 0.00 0.00 54.13 51.79 2cek s LEU 143 Cb -0.13 -2.26 -0.03 0.00 0.66 0.00 0.00 46.19 44.43 2cek s LEU 143 CO 0.20 -0.04 -0.19 -0.69 -1.89 0.00 0.00 176.35 173.75 2cek s VAL 144 N 1.44 2.68 -0.11 1.68 1.01 0.14 -1.11 120.40 126.12 2cek s VAL 144 Ca 0.11 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2cek s VAL 144 Cb -0.15 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.21 2cek s VAL 144 CO 0.07 0.52 -0.09 -0.94 0.00 0.00 0.00 175.10 174.66 2cek s SER 145 N -0.89 2.18 0.45 3.32 1.04 -0.68 0.82 113.70 119.93 2cek s SER 145 Ca 0.12 -0.33 0.05 0.00 0.48 0.00 0.00 55.95 56.27 2cek s SER 145 Cb -0.10 -0.89 0.07 0.00 0.10 0.00 0.00 66.02 65.20 2cek s SER 145 CO 0.01 -0.08 0.58 0.00 0.98 0.00 0.00 173.24 174.73 2cek n LEU 146 N 4.71 0.00 -4.05 2.42 -0.00 -0.92 -1.22 117.00 117.93 2cek n LEU 146 Ca -0.15 -1.62 -0.09 0.00 -0.00 0.00 0.00 56.01 54.15 2cek n LEU 146 Cb 0.50 -0.33 -0.09 0.00 -0.00 0.00 0.00 43.42 43.51 2cek n LEU 146 CO 0.19 -0.69 -0.24 -0.94 -0.00 0.00 0.00 177.39 175.71 2cek s SER 147 N -3.51 0.29 0.00 1.45 1.04 -1.16 -4.55 113.70 107.27 2cek s SER 147 Ca 0.42 -0.99 -0.29 0.00 0.48 0.00 0.00 55.95 55.58 2cek s SER 147 Cb -0.03 0.29 0.08 0.00 0.10 0.00 0.00 66.02 66.46 2cek s SER 147 CO 0.27 -0.71 0.69 -0.72 0.98 0.00 0.00 173.24 173.75 2cek s TYR 148 N -3.96 -0.60 0.35 5.02 1.13 -1.26 -4.47 117.35 113.56 2cek s TYR 148 Ca 0.14 0.84 -0.28 0.00 -1.41 0.00 0.00 57.07 56.36 2cek s TYR 148 Cb 0.07 0.46 -0.10 0.00 -1.10 0.00 0.00 41.96 41.28 2cek s TYR 148 CO -0.05 -0.66 1.34 1.03 -2.51 0.00 0.00 175.55 174.71 2cek s ARG 149 N -1.96 4.25 0.42 -3.49 0.52 -1.26 -4.89 118.95 112.54 2cek s ARG 149 Ca -0.06 2.28 0.04 0.00 -0.52 0.00 0.00 55.73 57.46 2cek s ARG 149 Cb -0.00 -3.00 -0.04 0.00 0.52 0.00 0.00 34.95 32.42 2cek s ARG 149 CO 0.02 -0.30 0.05 0.14 0.02 0.00 0.00 175.30 175.24 2cek s VAL 150 N -1.15 1.15 0.00 3.52 -7.23 -1.26 -4.17 120.40 111.26 2cek s VAL 150 Ca 0.51 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 2cek s VAL 150 Cb -0.41 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.02 2cek s VAL 150 CO 0.54 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.94 2cek n GLY 151 N -0.98 0.20 0.35 2.32 0.00 0.05 -2.50 105.19 104.63 2cek n GLY 151 Ca -0.09 -0.95 0.04 0.00 0.00 0.00 0.00 46.02 45.02 2cek n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cek h ALA 152 N -0.66 1.61 -0.85 4.61 0.00 -1.90 -0.29 119.26 121.77 2cek h ALA 152 Ca 0.00 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.04 2cek h ALA 152 Cb 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.49 2cek h ALA 152 CO 0.00 0.31 0.56 0.74 0.00 0.00 0.00 179.25 180.86 2cek h PHE 153 N 0.85 0.63 0.00 0.00 0.04 -1.93 -0.11 116.94 116.42 2cek h PHE 153 Ca 0.29 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.08 2cek h PHE 153 Cb 0.10 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.06 2cek h PHE 153 CO -0.00 0.21 -1.46 0.41 -0.60 0.00 0.00 178.31 176.87 2cek n GLY 154 N -1.49 -0.63 0.10 -1.45 0.00 -0.75 -4.15 105.19 96.82 2cek n GLY 154 Ca 0.17 -0.38 0.01 0.00 0.00 0.00 0.00 46.02 45.82 2cek n GLY 154 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2cek n PHE 155 N -1.87 0.00 -1.71 1.61 3.72 -0.19 -0.83 117.46 118.19 2cek n PHE 155 Ca -0.01 -0.16 -0.42 0.00 -0.05 0.00 0.00 57.45 56.81 2cek n PHE 155 Cb 0.36 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.84 2cek n PHE 155 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2cek s LEU 156 N -0.37 4.40 -0.17 4.37 2.96 -0.08 -4.45 118.68 125.33 2cek s LEU 156 Ca 0.02 2.78 0.01 0.00 -0.22 0.00 0.00 54.13 56.71 2cek s LEU 156 Cb 0.02 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.17 2cek s LEU 156 CO 0.00 -1.01 -0.13 0.00 -1.32 0.00 0.00 176.35 173.89 2cek s ALA 157 N 2.60 1.97 -0.60 5.97 0.00 -1.26 -3.33 121.76 127.11 2cek s ALA 157 Ca 0.81 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.75 2cek s ALA 157 Cb -0.47 -1.16 0.17 0.00 0.00 0.00 0.00 23.12 21.66 2cek s ALA 157 CO 0.36 -0.55 0.43 -0.51 0.00 0.00 0.00 175.76 175.49 2cek s LEU 158 N 1.43 3.68 0.14 0.00 1.43 0.07 -2.80 118.68 122.62 2cek s LEU 158 Ca 0.02 -3.53 -0.35 0.00 -1.03 0.00 0.00 54.13 49.25 2cek s LEU 158 Cb -0.14 -1.25 -0.15 0.00 0.03 0.00 0.00 46.19 44.68 2cek s LEU 158 CO -0.10 -0.12 1.43 1.57 0.23 0.00 0.00 176.35 179.36 2cek n HIS 159 N 2.35 1.89 0.00 0.29 -0.00 -1.26 -2.22 115.22 116.26 2cek n HIS 159 Ca 0.22 0.46 0.00 0.00 -0.00 0.00 0.00 57.72 58.40 2cek n HIS 159 Cb 0.39 -2.43 0.00 0.00 -0.00 0.00 0.00 29.99 27.95 2cek n HIS 159 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2cek n GLY 160 N 2.80 2.20 3.87 1.57 0.00 -1.26 -5.07 105.19 109.30 2cek n GLY 160 Ca 0.17 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 2cek n GLY 160 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cek s SER 161 N -0.16 6.65 0.00 1.61 1.04 -0.94 -4.98 113.70 116.91 2cek s SER 161 Ca 0.00 0.93 0.24 0.00 0.48 0.00 0.00 55.95 57.60 2cek s SER 161 Cb 0.00 -2.23 0.33 0.00 0.10 0.00 0.00 66.02 64.22 2cek s SER 161 CO 0.00 -0.04 1.32 0.00 0.98 0.00 0.00 173.24 175.50 2cek n GLN 162 N 0.03 1.69 0.02 4.02 1.13 -1.26 -3.37 117.38 119.63 2cek n GLN 162 Ca -0.01 -1.31 -0.06 0.00 -1.94 0.00 0.00 57.00 53.69 2cek n GLN 162 Cb 0.52 -1.47 -0.11 0.00 0.11 0.00 0.00 30.24 29.29 2cek n GLN 162 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2cek h GLU 163 N 3.19 0.00 -1.21 -1.09 4.39 -1.93 -3.41 114.58 114.52 2cek h GLU 163 Ca 0.00 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 59.29 2cek h GLU 163 Cb 0.78 0.00 -0.29 0.00 -0.10 0.00 0.00 28.75 29.14 2cek h GLU 163 CO 0.00 0.60 -0.88 0.00 -1.16 0.00 0.00 179.01 177.57 2cek n ALA 164 N -2.45 0.90 0.24 3.43 0.00 -1.26 -3.26 120.51 118.11 2cek n ALA 164 Ca -0.10 -2.62 0.11 0.00 0.00 0.00 0.00 53.44 50.83 2cek n ALA 164 Cb 0.97 -1.02 0.56 0.00 0.00 0.00 0.00 19.45 19.96 2cek n ALA 164 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2cek h PRO 165 N 3.70 0.00 0.00 0.00 0.13 -1.74 0.22 132.00 134.31 2cek h PRO 165 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2cek h PRO 165 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2cek h PRO 165 CO 0.39 0.20 0.00 0.41 -0.23 0.00 0.00 178.00 178.77 2cek n GLY 166 N -0.22 0.92 3.13 1.56 0.00 -1.21 -4.36 105.19 105.01 2cek n GLY 166 Ca -0.01 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.09 2cek n GLY 166 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2cek n ASN 167 N -0.34 -3.91 0.30 1.61 3.02 -1.26 -4.82 115.26 109.87 2cek n ASN 167 Ca 0.00 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.72 2cek n ASN 167 Cb 0.00 -2.92 0.96 0.00 -0.61 0.00 0.00 39.78 37.21 2cek n ASN 167 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2cek h VAL 168 N 0.00 0.34 -0.16 2.41 -1.51 -1.86 0.47 116.25 115.93 2cek h VAL 168 Ca 0.00 -0.15 -0.10 0.00 -1.23 0.00 0.00 66.70 65.22 2cek h VAL 168 Cb 0.65 1.10 -0.01 0.00 -2.13 0.00 0.00 31.29 30.90 2cek h VAL 168 CO 0.00 0.03 -0.35 1.23 -1.23 0.00 0.00 177.57 177.24 2cek h GLY 169 N 0.30 0.37 1.76 5.19 0.00 -1.21 0.80 103.07 110.29 2cek h GLY 169 Ca -0.00 -0.33 -0.16 0.00 0.00 0.00 0.00 47.33 46.83 2cek h GLY 169 CO 0.00 0.30 -0.70 1.41 0.00 0.00 0.00 176.54 177.55 2cek h LEU 170 N 0.29 0.28 -0.87 3.11 3.38 -1.19 -2.68 115.31 117.63 2cek h LEU 170 Ca 0.03 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 2cek h LEU 170 Cb 0.76 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2cek h LEU 170 CO 0.06 0.89 -0.56 -0.07 0.09 0.00 0.00 178.44 178.85 2cek h LEU 171 N 0.16 0.02 -0.36 1.67 3.38 -0.73 -1.45 115.31 118.00 2cek h LEU 171 Ca -0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2cek h LEU 171 Cb 1.25 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 2cek h LEU 171 CO 0.11 0.58 0.16 0.44 0.09 0.00 0.00 178.44 179.81 2cek h ASP 172 N 0.01 0.48 -0.35 -0.43 3.45 -0.59 -0.24 116.42 118.76 2cek h ASP 172 Ca -0.01 -0.15 0.01 0.00 0.43 0.00 0.00 57.03 57.32 2cek h ASP 172 Cb 0.99 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.62 2cek h ASP 172 CO 0.07 0.50 0.21 1.56 -1.57 0.00 0.00 179.24 180.01 2cek h GLN 173 N 0.44 0.41 -0.79 3.56 4.20 -1.16 -1.81 115.11 119.95 2cek h GLN 173 Ca 0.12 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2cek h GLN 173 Cb 0.16 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 2cek h GLN 173 CO -0.01 0.27 0.51 -0.09 -0.67 0.00 0.00 178.83 178.84 2cek h ARG 174 N 0.42 1.06 -0.73 1.46 2.43 -0.96 -0.90 114.38 117.16 2cek h ARG 174 Ca 0.14 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2cek h ARG 174 Cb -0.00 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.28 2cek h ARG 174 CO -0.06 0.72 0.30 1.98 -1.51 0.00 0.00 179.97 181.40 2cek h MET 175 N 1.08 1.08 -0.74 0.20 4.05 -0.65 0.18 114.93 120.13 2cek h MET 175 Ca 0.29 -0.18 -0.06 0.00 -0.28 0.00 0.00 59.70 59.46 2cek h MET 175 Cb -0.09 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 30.50 2cek h MET 175 CO -0.06 0.87 0.21 0.00 0.23 0.00 0.00 176.91 178.16 2cek h ALA 176 N 1.27 0.97 -0.12 0.39 0.00 -0.73 0.35 119.26 121.39 2cek h ALA 176 Ca 0.25 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2cek h ALA 176 Cb 0.19 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2cek h ALA 176 CO -0.02 0.67 -0.29 -0.07 0.00 0.00 0.00 179.25 179.54 2cek h LEU 177 N 1.11 0.21 -0.39 0.00 3.38 -0.26 -0.77 115.31 118.59 2cek h LEU 177 Ca 0.24 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 2cek h LEU 177 Cb 0.34 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2cek h LEU 177 CO -0.00 0.50 -0.22 -0.61 0.09 0.00 0.00 178.44 178.20 2cek h GLN 178 N 0.19 0.84 -0.40 1.13 5.75 0.08 -0.91 115.11 121.80 2cek h GLN 178 Ca 0.03 -0.38 -0.01 0.00 -0.15 0.00 0.00 58.65 58.14 2cek h GLN 178 Cb 0.61 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.13 2cek h GLN 178 CO 0.04 1.02 0.22 2.35 -2.65 0.00 0.00 178.83 179.81 2cek h TRP 179 N 0.65 0.55 -0.51 3.99 7.01 -0.45 -0.20 115.95 127.00 2cek h TRP 179 Ca 0.08 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.07 2cek h TRP 179 Cb 0.78 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.64 2cek h TRP 179 CO 0.06 0.42 0.31 0.28 -2.79 0.00 0.00 178.44 176.72 2cek h VAL 180 N 0.51 1.15 -0.93 2.65 2.07 -1.03 0.43 116.25 121.11 2cek h VAL 180 Ca 0.14 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2cek h VAL 180 Cb 0.05 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 2cek h VAL 180 CO -0.02 0.15 0.58 -0.74 0.02 0.00 0.00 177.57 177.56 2cek h HIS 181 N 0.68 1.20 0.09 1.57 -0.00 -0.85 -0.18 115.15 117.65 2cek h HIS 181 Ca 0.18 0.01 -0.25 0.00 -0.00 0.00 0.00 60.37 60.31 2cek h HIS 181 Cb -0.02 -0.40 -0.01 0.00 -0.00 0.00 0.00 27.41 26.99 2cek h HIS 181 CO -0.03 0.78 -1.17 -0.44 -0.00 0.00 0.00 177.93 177.07 2cek h ASP 182 N 1.27 0.29 0.00 3.26 3.32 -0.47 -3.42 116.42 120.66 2cek h ASP 182 Ca 0.34 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2cek h ASP 182 Cb -0.09 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.37 2cek h ASP 182 CO -0.07 1.24 -0.34 0.59 -1.72 0.00 0.00 179.24 178.94 2cek n ASN 183 N -3.47 1.71 0.23 6.45 4.13 0.15 -4.75 115.26 119.71 2cek n ASN 183 Ca -0.06 -0.32 0.18 0.00 1.68 0.00 0.00 54.58 56.06 2cek n ASN 183 Cb 1.00 0.98 0.86 0.00 -1.54 0.00 0.00 39.78 41.08 2cek n ASN 183 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 2cek h ILE 184 N 0.00 0.32 -0.51 2.41 6.09 -1.17 -1.38 117.51 123.28 2cek h ILE 184 Ca 0.00 0.00 0.04 0.00 -1.37 0.00 0.00 64.86 63.53 2cek h ILE 184 Cb 0.00 0.80 -0.03 0.00 0.47 0.00 0.00 36.82 38.06 2cek h ILE 184 CO 0.00 0.00 0.34 0.06 -3.07 0.00 0.00 178.15 175.48 2cek h GLN 185 N 0.00 0.52 0.00 2.19 3.07 -1.79 -0.58 115.11 118.51 2cek h GLN 185 Ca 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.78 2cek h GLN 185 Cb 0.54 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 27.99 2cek h GLN 185 CO -0.00 0.34 0.00 1.19 0.09 0.00 0.00 178.83 180.45 2cek n PHE 186 N -4.47 0.75 0.05 0.06 3.72 -0.52 -1.89 117.46 115.16 2cek n PHE 186 Ca 0.06 0.29 0.10 0.00 -0.05 0.00 0.00 57.45 57.85 2cek n PHE 186 Cb 0.17 -0.96 0.23 0.00 -0.94 0.00 0.00 39.48 37.97 2cek n PHE 186 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2cek n PHE 187 N -2.18 0.60 -0.43 1.38 3.01 -0.36 -4.86 117.46 114.61 2cek n PHE 187 Ca 0.03 -0.34 0.00 0.00 1.01 0.00 0.00 57.45 58.14 2cek n PHE 187 Cb 0.24 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.71 2cek n PHE 187 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2cek n GLY 188 N 1.34 0.77 3.88 1.37 0.00 -0.79 -4.50 105.19 107.27 2cek n GLY 188 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 2cek n GLY 188 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2cek s GLY 189 N -1.91 2.10 -0.47 -0.02 0.00 -0.40 -0.55 107.32 106.07 2cek s GLY 189 Ca 0.00 -0.32 -0.15 0.00 0.00 0.00 0.00 44.72 44.25 2cek s GLY 189 CO 0.00 -0.17 0.40 -0.35 0.00 0.00 0.00 173.10 172.97 2cek s ASP 190 N -2.72 6.15 0.40 1.64 2.15 0.33 -3.48 116.67 121.13 2cek s ASP 190 Ca 0.48 -1.35 0.27 0.00 0.43 0.00 0.00 52.55 52.38 2cek s ASP 190 Cb -0.11 -2.18 1.46 0.00 -0.30 0.00 0.00 42.92 41.79 2cek s ASP 190 CO 0.25 -0.65 1.82 1.55 -0.17 0.00 0.00 175.17 177.97 2cek h PRO 191 N 8.76 0.00 -0.02 4.34 0.13 -1.88 -0.48 132.00 142.85 2cek h PRO 191 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2cek h PRO 191 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2cek h PRO 191 CO 0.88 0.00 -0.00 0.36 -0.23 0.00 0.00 178.00 179.01 2cek n LYS 192 N -2.44 1.78 -2.88 0.86 2.85 -1.26 -4.21 118.16 112.86 2cek n LYS 192 Ca -0.02 -1.14 -0.20 0.00 -1.05 0.00 0.00 58.31 55.90 2cek n LYS 192 Cb 0.05 -1.48 -0.01 0.00 -0.65 0.00 0.00 35.03 32.93 2cek n LYS 192 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2cek n THR 193 N 0.38 1.42 -3.76 0.58 -1.04 -0.19 -4.70 114.28 106.97 2cek n THR 193 Ca 0.18 -4.57 -0.36 0.00 -2.04 0.00 0.00 64.05 57.26 2cek n THR 193 Cb 0.40 -0.54 -0.09 0.00 -1.82 0.00 0.00 70.33 68.28 2cek n THR 193 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2cek s VAL 194 N -3.69 5.19 -0.21 12.58 1.01 -1.25 -1.97 120.40 132.07 2cek s VAL 194 Ca 0.41 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.46 2cek s VAL 194 Cb 0.37 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 2cek s VAL 194 CO -0.09 0.40 -0.03 -0.89 0.00 0.00 0.00 175.10 174.49 2cek s THR 195 N 0.74 3.65 -0.05 3.92 2.01 0.59 -0.31 115.64 126.19 2cek s THR 195 Ca 0.07 -0.41 -0.15 0.00 0.31 0.00 0.00 61.69 61.50 2cek s THR 195 Cb -0.13 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.68 2cek s THR 195 CO 0.02 0.43 0.40 0.27 -0.69 0.00 0.00 174.62 175.05 2cek s ILE 196 N 1.18 5.10 -0.01 1.82 -4.36 -0.80 -0.54 121.20 123.59 2cek s ILE 196 Ca 0.03 0.82 -0.06 0.00 -0.26 0.00 0.00 60.65 61.18 2cek s ILE 196 Cb -0.14 -3.72 0.00 0.00 1.25 0.00 0.00 42.46 39.85 2cek s ILE 196 CO 0.00 0.51 0.12 0.72 0.24 0.00 0.00 174.94 176.52 2cek s PHE 197 N -0.54 0.02 0.20 1.37 -0.71 0.26 -1.42 117.98 117.15 2cek s PHE 197 Ca 0.23 -0.05 -0.23 0.00 -1.04 0.00 0.00 56.93 55.84 2cek s PHE 197 Cb -0.16 -0.04 0.05 0.00 -1.21 0.00 0.00 43.02 41.66 2cek s PHE 197 CO 0.11 -0.22 0.79 0.20 -1.34 0.00 0.00 175.22 174.77 2cek s GLY 198 N -1.00 -0.25 0.04 1.99 0.00 -1.15 -0.49 107.32 106.47 2cek s GLY 198 Ca -0.11 0.06 0.08 0.00 0.00 0.00 0.00 44.72 44.75 2cek s GLY 198 CO 0.01 0.01 -0.23 1.85 0.00 0.00 0.00 173.10 174.75 2cek s GLU 199 N -3.63 1.56 7.71 2.90 -6.30 -1.23 -1.28 118.70 118.43 2cek s GLU 199 Ca 0.09 -0.97 0.00 0.00 -2.50 0.00 0.00 54.97 51.59 2cek s GLU 199 Cb -0.03 -1.67 0.00 0.00 0.00 0.00 0.00 34.13 32.43 2cek s GLU 199 CO 0.01 0.43 0.00 0.45 0.02 0.00 0.00 175.26 176.17 2cek n SER 200 N 1.90 0.00 0.17 -1.70 2.88 0.13 -1.02 113.62 115.98 2cek n SER 200 Ca -0.17 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.56 2cek n SER 200 Cb 0.53 0.00 0.80 0.00 -0.75 0.00 0.00 64.21 64.79 2cek n SER 200 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cek h ALA 201 N -0.96 1.88 0.00 -1.46 0.00 -1.87 0.74 119.26 117.58 2cek h ALA 201 Ca 0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 2cek h ALA 201 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2cek h ALA 201 CO 0.00 -0.45 -0.85 0.78 0.00 0.00 0.00 179.25 178.73 2cek h GLY 202 N 0.00 0.02 1.29 0.00 0.00 -1.14 -0.42 103.07 102.83 2cek h GLY 202 Ca 0.12 -0.05 -0.22 0.00 0.00 0.00 0.00 47.33 47.18 2cek h GLY 202 CO -0.00 0.04 -0.81 -1.33 0.00 0.00 0.00 176.54 174.44 2cek h GLY 203 N 2.46 0.75 0.99 4.60 0.00 0.36 -1.84 103.07 110.41 2cek h GLY 203 Ca -0.01 -1.11 -0.03 0.00 0.00 0.00 0.00 47.33 46.18 2cek h GLY 203 CO 0.11 0.99 0.27 0.00 0.00 0.00 0.00 176.54 177.91 2cek h ALA 204 N 0.63 0.78 -0.34 3.60 0.00 -0.71 -2.16 119.26 121.05 2cek h ALA 204 Ca -0.06 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.73 2cek h ALA 204 Cb 1.43 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2cek h ALA 204 CO 0.16 0.36 0.15 0.77 0.00 0.00 0.00 179.25 180.69 2cek h SER 205 N 0.83 0.21 -0.36 0.00 0.02 -0.95 0.24 113.55 113.53 2cek h SER 205 Ca 0.20 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.24 2cek h SER 205 Cb 0.15 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.63 2cek h SER 205 CO -0.02 0.16 0.04 0.58 -1.14 0.00 0.00 176.83 176.45 2cek h VAL 206 N 0.32 0.78 -0.57 2.27 2.07 -1.07 -0.13 116.25 119.92 2cek h VAL 206 Ca 0.15 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.63 2cek h VAL 206 Cb 0.08 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 2cek h VAL 206 CO -0.12 0.03 0.37 1.23 0.02 0.00 0.00 177.57 179.10 2cek h GLY 207 N 0.16 0.79 1.76 2.17 0.00 -0.73 -1.63 103.07 105.58 2cek h GLY 207 Ca 0.18 -0.29 -0.10 0.00 0.00 0.00 0.00 47.33 47.11 2cek h GLY 207 CO -0.26 0.28 -0.37 -0.33 0.00 0.00 0.00 176.54 175.86 2cek h MET 208 N 0.74 0.27 0.00 4.80 2.86 0.66 -1.99 114.93 122.27 2cek h MET 208 Ca 0.21 -0.12 -0.08 0.00 -2.06 0.00 0.00 59.70 57.65 2cek h MET 208 Cb -0.05 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 2cek h MET 208 CO -0.05 0.61 -0.40 0.45 1.06 0.00 0.00 176.91 178.58 2cek h HIS 209 N 0.23 0.00 -0.22 -0.22 3.86 -0.21 0.32 115.15 118.92 2cek h HIS 209 Ca 0.03 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.08 2cek h HIS 209 Cb 0.77 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.23 2cek h HIS 209 CO 0.01 0.40 -0.50 0.82 0.86 0.00 0.00 177.93 179.52 2cek h ILE 210 N 0.00 1.31 0.03 2.45 2.04 -0.85 -3.20 117.51 119.29 2cek h ILE 210 Ca -0.00 -1.72 -0.05 0.00 1.00 0.00 0.00 64.86 64.09 2cek h ILE 210 Cb 1.06 1.68 0.01 0.00 -0.74 0.00 0.00 36.82 38.83 2cek h ILE 210 CO 0.05 0.54 -0.22 -0.07 0.00 0.00 0.00 178.15 178.45 2cek h LEU 211 N 0.47 0.15 -9.23 1.44 3.38 -1.12 0.26 115.31 110.65 2cek h LEU 211 Ca 0.02 -0.91 -0.55 0.00 0.09 0.00 0.00 57.88 56.54 2cek h LEU 211 Cb 1.04 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2cek h LEU 211 CO 0.10 1.04 1.19 -0.55 0.09 0.00 0.00 178.44 180.31 2cek s SER 212 N -6.36 6.41 0.37 -0.43 0.15 0.08 -4.64 113.70 109.29 2cek s SER 212 Ca -0.17 2.27 0.12 0.00 0.70 0.00 0.00 55.95 58.87 2cek s SER 212 Cb -0.01 -2.53 0.91 0.00 -1.71 0.00 0.00 66.02 62.68 2cek s SER 212 CO 0.73 -1.14 1.86 -0.65 1.20 0.00 0.00 173.24 175.24 2cek h PRO 213 N 10.72 0.57 0.00 5.44 0.11 -1.87 -0.95 132.00 146.02 2cek h PRO 213 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2cek h PRO 213 Cb 1.20 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2cek h PRO 213 CO 0.96 0.38 0.00 0.41 -0.21 0.00 0.00 178.00 179.53 2cek n GLY 214 N -1.45 -0.96 0.01 -0.55 0.00 -1.26 -3.56 105.19 97.43 2cek n GLY 214 Ca 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 2cek n GLY 214 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cek n SER 215 N -1.33 3.89 -0.32 1.61 7.64 -0.40 -4.80 113.62 119.91 2cek n SER 215 Ca 0.08 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.14 2cek n SER 215 Cb 0.16 0.83 0.37 0.00 -1.01 0.00 0.00 64.21 64.57 2cek n SER 215 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2cek h ARG 216 N 0.00 0.15 0.00 1.43 3.08 -1.45 -1.16 114.38 116.42 2cek h ARG 216 Ca -0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2cek h ARG 216 Cb 0.89 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.91 2cek h ARG 216 CO 0.00 0.10 0.00 -0.25 -1.07 0.00 0.00 179.97 178.75 2cek n ASP 217 N -5.26 0.00 -0.58 7.04 10.43 -1.26 -3.71 116.55 123.21 2cek n ASP 217 Ca 0.26 0.15 0.09 0.00 2.57 0.00 0.00 54.79 57.86 2cek n ASP 217 Cb 0.85 -0.37 0.31 0.00 1.84 0.00 0.00 41.12 43.75 2cek n ASP 217 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 2cek n LEU 218 N -1.37 1.72 -3.59 0.64 4.77 -0.44 -4.92 117.00 113.81 2cek n LEU 218 Ca 0.10 -0.77 -0.11 0.00 -0.03 0.00 0.00 56.01 55.20 2cek n LEU 218 Cb 0.23 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2cek n LEU 218 CO 0.20 0.38 0.28 0.72 -1.33 0.00 0.00 177.39 177.65 2cek s PHE 219 N -1.71 -0.30 -0.16 -1.77 -0.71 -1.24 -4.80 117.98 107.28 2cek s PHE 219 Ca 0.30 0.01 -0.12 0.00 -1.04 0.00 0.00 56.93 56.08 2cek s PHE 219 Cb 0.16 0.41 -0.07 0.00 -1.21 0.00 0.00 43.02 42.31 2cek s PHE 219 CO 0.23 -0.82 -0.10 -2.13 -1.34 0.00 0.00 175.22 171.06 2cek n ARG 220 N -0.31 0.48 -4.33 1.99 3.00 0.57 -4.95 116.66 113.11 2cek n ARG 220 Ca -0.15 0.52 -0.19 0.00 -0.00 0.00 0.00 57.85 58.03 2cek n ARG 220 Cb 0.64 -1.69 -0.09 0.00 0.00 0.00 0.00 32.46 31.32 2cek n ARG 220 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 2cek s ARG 221 N -2.31 1.67 0.02 -0.14 1.70 -1.10 -4.69 118.95 114.11 2cek s ARG 221 Ca -0.19 -1.96 -0.05 0.00 -0.47 0.00 0.00 55.73 53.06 2cek s ARG 221 Cb 0.03 0.04 -0.01 0.00 -0.57 0.00 0.00 34.95 34.44 2cek s ARG 221 CO 0.32 -0.53 0.08 0.00 -1.08 0.00 0.00 175.30 174.09 2cek s ALA 222 N -3.54 -0.08 -0.09 7.88 0.00 -1.16 -1.90 121.76 122.88 2cek s ALA 222 Ca 0.36 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.86 2cek s ALA 222 Cb 0.04 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.37 2cek s ALA 222 CO 0.21 -0.26 -0.10 0.42 0.00 0.00 0.00 175.76 176.03 2cek s ILE 223 N -2.09 1.08 -0.18 0.00 1.01 -0.51 -1.59 121.20 118.92 2cek s ILE 223 Ca -0.09 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.16 2cek s ILE 223 Cb -0.04 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.40 2cek s ILE 223 CO -0.02 0.36 -0.17 -0.76 0.00 0.00 0.00 174.94 174.34 2cek s LEU 224 N 1.11 2.28 -0.24 2.97 1.02 -0.21 -2.93 118.68 122.68 2cek s LEU 224 Ca -0.06 -0.59 -0.04 0.00 0.02 0.00 0.00 54.13 53.46 2cek s LEU 224 Cb -0.14 -1.52 0.00 0.00 0.02 0.00 0.00 46.19 44.54 2cek s LEU 224 CO -0.02 0.02 -0.03 -1.10 0.02 0.00 0.00 176.35 175.24 2cek s GLN 225 N 1.21 3.23 -1.53 1.70 -0.21 -0.40 -2.19 119.66 121.46 2cek s GLN 225 Ca 0.02 -0.73 -0.11 0.00 0.02 0.00 0.00 55.36 54.56 2cek s GLN 225 Cb -0.14 -3.05 0.08 0.00 1.00 0.00 0.00 33.01 30.90 2cek s GLN 225 CO -0.09 -0.27 0.82 0.43 -2.12 0.00 0.00 175.29 174.06 2cek n SER 226 N 4.78 -3.33 -3.63 5.90 7.64 -0.08 0.22 113.62 125.12 2cek n SER 226 Ca -0.17 -0.88 -0.04 0.00 1.01 0.00 0.00 58.87 58.79 2cek n SER 226 Cb 0.50 -3.49 -0.04 0.00 -1.01 0.00 0.00 64.21 60.16 2cek n SER 226 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cek s GLY 227 N -3.59 0.01 0.04 0.23 0.00 -1.26 -3.28 107.32 99.47 2cek s GLY 227 Ca 0.51 2.66 -0.12 0.00 0.00 0.00 0.00 44.72 47.78 2cek s GLY 227 CO 0.86 1.13 0.25 -1.35 0.00 0.00 0.00 173.10 173.99 2cek s SER 228 N -0.99 -0.05 0.46 1.64 1.04 -1.26 -4.15 113.70 110.40 2cek s SER 228 Ca 0.06 -0.26 0.18 0.00 0.48 0.00 0.00 55.95 56.41 2cek s SER 228 Cb -0.01 0.32 1.16 0.00 0.10 0.00 0.00 66.02 67.59 2cek s SER 228 CO -0.06 -0.57 1.97 1.55 0.98 0.00 0.00 173.24 177.11 2cek h PRO 229 N 3.40 0.26 -0.09 4.02 0.13 -1.81 -2.24 132.00 135.67 2cek h PRO 229 Ca -0.32 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2cek h PRO 229 Cb 1.19 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2cek h PRO 229 CO 0.47 0.17 0.00 0.27 -0.23 0.00 0.00 178.00 178.68 2cek n ASN 230 N -4.44 0.67 -4.71 1.44 2.04 -1.26 -4.75 115.26 104.24 2cek n ASN 230 Ca 0.11 -1.68 -0.42 0.00 -0.44 0.00 0.00 54.58 52.15 2cek n ASN 230 Cb 0.49 -0.06 0.00 0.00 -2.53 0.00 0.00 39.78 37.69 2cek n ASN 230 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2cek h PRO 232 N 2.44 0.00 0.00 0.00 0.13 -1.84 -1.84 132.00 130.88 2cek h PRO 232 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2cek h PRO 232 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2cek h PRO 232 CO 0.62 0.00 -1.16 -2.67 -0.23 0.00 0.00 178.00 174.56 2cek n TRP 233 N -3.30 0.04 0.67 1.56 4.27 -1.26 -4.52 117.44 114.90 2cek n TRP 233 Ca -0.02 0.01 0.12 0.00 -3.89 0.00 0.00 57.50 53.72 2cek n TRP 233 Cb 0.17 -0.18 0.47 0.00 -1.36 0.00 0.00 31.31 30.41 2cek n TRP 233 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2cek n ALA 234 N -1.69 2.06 -3.46 -1.67 0.00 -0.69 -4.58 120.51 110.47 2cek n ALA 234 Ca 0.02 -0.03 -0.11 0.00 0.00 0.00 0.00 53.44 53.32 2cek n ALA 234 Cb 0.39 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 2cek n ALA 234 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2cek s SER 235 N -3.74 -0.52 0.18 0.00 1.04 -1.26 -3.58 113.70 105.81 2cek s SER 235 Ca 0.10 -0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.49 2cek s SER 235 Cb 0.13 0.58 -0.05 0.00 0.10 0.00 0.00 66.02 66.79 2cek s SER 235 CO 0.48 -0.95 0.04 0.68 0.98 0.00 0.00 173.24 174.46 2cek s VAL 236 N -3.68 0.50 0.74 5.02 -7.23 -0.59 -4.99 120.40 110.18 2cek s VAL 236 Ca 0.02 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.11 2cek s VAL 236 Cb -0.01 -2.21 0.04 0.00 0.56 0.00 0.00 36.38 34.76 2cek s VAL 236 CO -0.11 -0.37 1.09 -0.94 -0.31 0.00 0.00 175.10 174.46 2cek s SER 237 N -3.17 5.06 0.40 4.85 1.04 -1.26 -1.91 113.70 118.70 2cek s SER 237 Ca 0.27 1.23 0.08 0.00 0.48 0.00 0.00 55.95 58.01 2cek s SER 237 Cb 0.07 -2.01 0.82 0.00 0.10 0.00 0.00 66.02 64.99 2cek s SER 237 CO 0.05 -1.60 1.99 -0.37 0.98 0.00 0.00 173.24 174.29 2cek h VAL 238 N -0.83 1.13 -0.21 5.02 -1.51 -1.94 -0.37 116.25 117.54 2cek h VAL 238 Ca -0.46 -0.46 -0.03 0.00 -1.23 0.00 0.00 66.70 64.52 2cek h VAL 238 Cb 1.26 0.84 -0.01 0.00 -2.13 0.00 0.00 31.29 31.25 2cek h VAL 238 CO 0.62 0.17 0.00 0.00 -1.23 0.00 0.00 177.57 177.12 2cek h ALA 239 N 1.69 0.28 -0.44 5.19 0.00 -1.94 -1.05 119.26 122.98 2cek h ALA 239 Ca 0.10 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2cek h ALA 239 Cb 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2cek h ALA 239 CO -0.01 -0.00 -0.14 1.49 0.00 0.00 0.00 179.25 180.60 2cek h GLU 240 N 0.13 0.82 -0.35 0.00 4.57 -1.83 -1.72 114.58 116.21 2cek h GLU 240 Ca 0.06 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 2cek h GLU 240 Cb 0.39 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 2cek h GLU 240 CO 0.01 0.91 0.22 0.78 -1.18 0.00 0.00 179.01 179.76 2cek h GLY 241 N 0.97 0.51 0.98 1.92 0.00 -0.95 -1.66 103.07 104.84 2cek h GLY 241 Ca 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 2cek h GLY 241 CO 0.04 0.20 0.26 -0.09 0.00 0.00 0.00 176.54 176.95 2cek h ARG 242 N 0.47 0.66 -0.54 4.80 2.43 -1.01 -1.68 114.38 119.51 2cek h ARG 242 Ca 0.13 -0.08 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 2cek h ARG 242 Cb -0.02 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.35 2cek h ARG 242 CO -0.03 0.52 0.28 -0.09 -1.51 0.00 0.00 179.97 179.14 2cek h ARG 243 N 0.62 0.51 -0.13 0.20 2.43 -0.99 -0.62 114.38 116.40 2cek h ARG 243 Ca 0.17 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.21 2cek h ARG 243 Cb 0.05 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2cek h ARG 243 CO -0.03 0.34 -0.36 0.00 -1.51 0.00 0.00 179.97 178.42 2cek h ARG 244 N 0.53 0.26 -0.22 0.20 3.08 -1.10 0.11 114.38 117.24 2cek h ARG 244 Ca 0.24 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 2cek h ARG 244 Cb 0.15 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2cek h ARG 244 CO -0.17 0.59 -0.01 0.00 -1.07 0.00 0.00 179.97 179.32 2cek h ALA 245 N 1.40 0.30 -0.54 0.04 0.00 -0.57 0.33 119.26 120.23 2cek h ALA 245 Ca 0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2cek h ALA 245 Cb 0.74 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2cek h ALA 245 CO 0.06 0.03 0.23 0.28 0.00 0.00 0.00 179.25 179.85 2cek h VAL 246 N 0.16 1.21 -0.18 0.00 2.07 -0.95 -1.39 116.25 117.16 2cek h VAL 246 Ca 0.06 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 2cek h VAL 246 Cb 0.41 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2cek h VAL 246 CO 0.01 0.25 -0.12 -0.08 0.02 0.00 0.00 177.57 177.65 2cek h GLU 247 N 0.72 0.29 -0.38 1.57 4.57 -0.84 0.94 114.58 121.45 2cek h GLU 247 Ca 0.18 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.23 2cek h GLU 247 Cb 0.17 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 2cek h GLU 247 CO -0.02 0.42 0.00 1.25 -1.18 0.00 0.00 179.01 179.48 2cek h LEU 248 N 0.27 0.65 -0.94 1.64 5.85 -0.36 -1.54 115.31 120.89 2cek h LEU 248 Ca 0.06 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 2cek h LEU 248 Cb 0.39 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2cek h LEU 248 CO 0.02 0.80 0.29 1.23 -0.34 0.00 0.00 178.44 180.44 2cek h GLY 249 N 0.49 1.14 1.96 3.75 0.00 -0.49 -1.95 103.07 107.98 2cek h GLY 249 Ca 0.11 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 2cek h GLY 249 CO 0.02 0.57 -0.15 -0.09 0.00 0.00 0.00 176.54 176.88 2cek h ARG 250 N 1.04 0.04 0.00 4.80 2.43 -0.48 0.38 114.38 122.60 2cek h ARG 250 Ca 0.24 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 2cek h ARG 250 Cb 0.20 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2cek h ARG 250 CO -0.02 0.20 -0.06 -0.91 -1.51 0.00 0.00 179.97 177.67 2cek h ASN 251 N 0.04 0.00 -0.28 -3.80 2.35 -0.50 -3.03 115.58 110.36 2cek h ASN 251 Ca 0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2cek h ASN 251 Cb 0.30 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 2cek h ASN 251 CO 0.02 0.06 0.00 0.18 -1.65 0.00 0.00 177.43 176.04 2cek n LEU 252 N -3.14 4.02 -3.77 1.61 4.77 -0.66 -4.97 117.00 114.87 2cek n LEU 252 Ca 0.02 -3.04 -0.26 0.00 -0.03 0.00 0.00 56.01 52.70 2cek n LEU 252 Cb 0.43 -0.56 0.02 0.00 -2.33 0.00 0.00 43.42 40.98 2cek n LEU 252 CO 0.31 0.68 -0.13 0.59 -1.33 0.00 0.00 177.39 177.52 2cek n ASN 253 N -0.46 -2.46 -4.91 -1.43 4.13 -0.89 -4.97 115.26 104.27 2cek n ASN 253 Ca 0.22 -0.95 -0.29 0.00 1.68 0.00 0.00 54.58 55.24 2cek n ASN 253 Cb 0.92 -3.49 -0.03 0.00 -1.54 0.00 0.00 39.78 35.64 2cek n ASN 253 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2cek s ASN 255 N -3.04 6.97 -0.19 0.00 3.84 -1.26 -4.74 114.94 116.51 2cek s ASN 255 Ca 0.42 2.06 0.16 0.00 0.21 0.00 0.00 52.86 55.71 2cek s ASN 255 Cb -0.11 -2.57 0.52 0.00 -0.55 0.00 0.00 41.25 38.53 2cek s ASN 255 CO 0.29 -0.59 1.42 0.18 -2.79 0.00 0.00 177.10 175.60 2cek n LEU 256 N 4.56 3.86 0.27 3.21 4.77 -1.26 -3.33 117.00 129.07 2cek n LEU 256 Ca 0.11 -3.13 0.16 0.00 -0.03 0.00 0.00 56.01 53.12 2cek n LEU 256 Cb 0.45 -0.55 0.64 0.00 -2.33 0.00 0.00 43.42 41.62 2cek n LEU 256 CO 0.57 0.75 0.96 0.78 -1.33 0.00 0.00 177.39 179.12 2cek h ASN 257 N 1.58 0.00 -5.00 -1.43 2.35 -1.96 -3.46 115.58 107.66 2cek h ASN 257 Ca 0.03 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 2cek h ASN 257 Cb 1.46 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.71 2cek h ASN 257 CO 0.24 0.04 0.19 -0.94 -1.65 0.00 0.00 177.43 175.32 2cek s SER 258 N -5.80 -0.54 0.14 5.81 1.04 -1.26 -5.01 113.70 108.08 2cek s SER 258 Ca 0.01 -0.03 -0.17 0.00 0.48 0.00 0.00 55.95 56.24 2cek s SER 258 Cb 0.09 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.81 2cek s SER 258 CO 0.56 -0.97 1.78 0.44 0.98 0.00 0.00 173.24 176.03 2cek h ASP 259 N 2.02 0.25 -1.00 7.02 3.45 -1.95 0.19 116.42 126.40 2cek h ASP 259 Ca -0.34 0.01 0.12 0.00 0.43 0.00 0.00 57.03 57.26 2cek h ASP 259 Cb 1.31 -0.04 -0.08 0.00 -0.56 0.00 0.00 39.33 39.95 2cek h ASP 259 CO 0.38 0.18 0.63 -0.08 -1.57 0.00 0.00 179.24 178.79 2cek h GLU 260 N 0.34 0.96 0.11 3.56 4.81 -1.98 0.70 114.58 123.07 2cek h GLU 260 Ca 0.13 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2cek h GLU 260 Cb 0.03 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.20 2cek h GLU 260 CO -0.08 0.63 -0.05 1.49 -0.73 0.00 0.00 179.01 180.27 2cek h GLU 261 N 0.99 -0.14 0.32 1.92 4.57 -1.59 -1.48 114.58 119.16 2cek h GLU 261 Ca 0.50 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.67 2cek h GLU 261 Cb 0.50 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 2cek h GLU 261 CO -0.26 0.19 -0.15 1.25 -1.18 0.00 0.00 179.01 178.86 2cek h LEU 262 N -0.49 -0.36 -0.16 1.64 5.85 0.26 -2.22 115.31 119.83 2cek h LEU 262 Ca -0.01 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.76 2cek h LEU 262 Cb 0.40 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 2cek h LEU 262 CO 0.02 -0.25 -0.19 0.40 -0.34 0.00 0.00 178.44 178.09 2cek h ILE 263 N -0.44 0.51 -0.56 4.05 1.08 0.32 -0.45 117.51 122.01 2cek h ILE 263 Ca -0.04 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.54 2cek h ILE 263 Cb 0.34 0.51 -0.09 0.00 -3.07 0.00 0.00 36.82 34.51 2cek h ILE 263 CO 0.07 0.00 0.02 -0.74 -0.69 0.00 0.00 178.15 176.81 2cek h HIS 264 N -0.22 0.00 0.06 1.37 2.76 -1.18 0.35 115.15 118.29 2cek h HIS 264 Ca 0.11 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 2cek h HIS 264 Cb 0.38 0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.43 2cek h HIS 264 CO -0.31 -0.12 -0.03 0.00 -1.30 0.00 0.00 177.93 176.17 2cek h LEU 266 N -0.12 0.11 -0.87 0.00 3.38 -0.32 -1.36 115.31 116.13 2cek h LEU 266 Ca -0.01 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2cek h LEU 266 Cb 0.10 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2cek h LEU 266 CO 0.01 0.07 -0.02 0.03 0.09 0.00 0.00 178.44 178.63 2cek h ARG 267 N 0.12 0.00 0.00 1.13 3.08 -0.56 -3.02 114.38 115.13 2cek h ARG 267 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2cek h ARG 267 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2cek h ARG 267 CO -0.01 0.02 -0.48 0.93 -1.07 0.00 0.00 179.97 179.35 2cek h GLU 268 N 0.00 0.00 -6.98 0.04 4.39 -0.99 -3.47 114.58 107.57 2cek h GLU 268 Ca -0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 2cek h GLU 268 Cb 0.72 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.38 2cek h GLU 268 CO 0.00 0.00 0.40 0.15 -1.16 0.00 0.00 179.01 178.40 2cek s LYS 269 N -3.17 4.15 0.61 2.33 -0.14 -1.14 -5.03 119.74 117.35 2cek s LYS 269 Ca 0.07 1.46 -0.15 0.00 -1.36 0.00 0.00 55.97 55.98 2cek s LYS 269 Cb 0.12 -2.48 -0.03 0.00 -1.68 0.00 0.00 37.83 33.77 2cek s LYS 269 CO 0.70 -0.14 1.07 0.15 -0.76 0.00 0.00 175.35 176.36 2cek s LYS 270 N -2.60 3.18 0.19 1.68 1.02 -1.26 -4.94 119.74 117.01 2cek s LYS 270 Ca 0.59 1.25 -0.17 0.00 0.02 0.00 0.00 55.97 57.66 2cek s LYS 270 Cb -0.20 -2.01 0.17 0.00 -0.52 0.00 0.00 37.83 35.27 2cek s LYS 270 CO 0.25 -0.93 1.62 -1.35 -0.92 0.00 0.00 175.35 174.02 2cek h PRO 271 N 0.32 -0.08 0.00 -1.68 0.11 -1.96 -1.11 132.00 127.60 2cek h PRO 271 Ca -0.47 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 2cek h PRO 271 Cb 1.23 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2cek h PRO 271 CO 0.57 -0.05 -0.02 0.37 -0.21 0.00 0.00 178.00 178.65 2cek h GLN 272 N -0.08 0.00 -0.25 1.05 5.75 -1.99 -2.11 115.11 117.48 2cek h GLN 272 Ca 0.26 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.61 2cek h GLN 272 Cb 0.48 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 2cek h GLN 272 CO -0.61 0.02 -0.44 0.93 -2.65 0.00 0.00 178.83 176.08 2cek h GLU 273 N 0.00 0.62 -0.12 1.69 5.08 -1.56 -0.50 114.58 119.79 2cek h GLU 273 Ca -0.00 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 57.95 2cek h GLU 273 Cb 0.12 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2cek h GLU 273 CO 0.00 0.94 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.66 2cek h LEU 274 N 0.50 0.40 -1.32 1.33 4.07 -1.38 -3.20 115.31 115.71 2cek h LEU 274 Ca 0.04 -0.54 -0.02 0.00 0.08 0.00 0.00 57.88 57.44 2cek h LEU 274 Cb 0.96 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.56 2cek h LEU 274 CO 0.09 0.87 0.23 0.40 -1.08 0.00 0.00 178.44 178.94 2cek h ILE 275 N -0.05 1.17 0.00 1.22 2.04 -1.41 -1.03 117.51 119.45 2cek h ILE 275 Ca 0.01 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 2cek h ILE 275 Cb 0.79 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2cek h ILE 275 CO 0.05 0.20 -0.03 0.44 0.00 0.00 0.00 178.15 178.80 2cek h ASP 276 N 0.69 0.00 -0.00 1.72 3.32 -1.08 -3.06 116.42 118.01 2cek h ASP 276 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2cek h ASP 276 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2cek h ASP 276 CO -0.02 0.03 -0.01 1.33 -1.72 0.00 0.00 179.24 178.85 2cek n VAL 277 N -4.06 0.00 -0.33 -1.35 0.24 -1.01 -4.79 118.33 107.03 2cek n VAL 277 Ca -0.03 -0.49 0.22 0.00 -2.04 0.00 0.00 64.34 62.00 2cek n VAL 277 Cb 0.12 1.05 0.44 0.00 -1.47 0.00 0.00 33.84 33.98 2cek n VAL 277 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2cek h GLU 278 N 0.52 0.28 -0.00 7.34 4.81 -1.08 0.58 114.58 127.03 2cek h GLU 278 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2cek h GLU 278 Cb 0.12 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2cek h GLU 278 CO 0.00 0.19 -0.02 0.91 -0.73 0.00 0.00 179.01 179.36 2cek n TRP 279 N -5.10 0.00 1.57 0.92 5.03 -1.26 -3.67 117.44 114.94 2cek n TRP 279 Ca 0.30 0.00 0.15 0.00 3.03 0.00 0.00 57.50 60.98 2cek n TRP 279 Cb 0.93 -0.23 0.80 0.00 -1.03 0.00 0.00 31.31 31.78 2cek n TRP 279 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 2cek n ASN 280 N -1.19 0.03 -0.35 -0.99 3.02 0.20 -3.65 115.26 112.32 2cek n ASN 280 Ca 0.16 -0.39 0.12 0.00 -0.03 0.00 0.00 54.58 54.43 2cek n ASN 280 Cb 0.23 -0.20 0.16 0.00 -0.61 0.00 0.00 39.78 39.36 2cek n ASN 280 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2cek n VAL 281 N -1.19 0.00 -1.76 2.41 0.24 -1.24 -4.94 118.33 111.85 2cek n VAL 281 Ca 0.17 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.34 61.87 2cek n VAL 281 Cb 0.21 0.86 -0.02 0.00 -1.47 0.00 0.00 33.84 33.42 2cek n VAL 281 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2cek s LEU 282 N -2.53 4.34 0.26 1.34 1.43 -1.24 -4.81 118.68 117.47 2cek s LEU 282 Ca 0.20 2.96 0.02 0.00 -1.03 0.00 0.00 54.13 56.28 2cek s LEU 282 Cb 0.18 -3.63 0.34 0.00 0.03 0.00 0.00 46.19 43.11 2cek s LEU 282 CO 0.57 -0.93 1.66 1.55 0.23 0.00 0.00 176.35 179.43 2cek h PRO 283 N 4.97 0.45 -5.77 1.29 0.13 -1.95 -3.46 132.00 127.66 2cek h PRO 283 Ca -0.47 -0.21 -0.60 0.00 -0.87 0.00 0.00 66.00 63.86 2cek h PRO 283 Cb 1.22 -0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 2cek h PRO 283 CO 0.81 0.75 -0.65 -0.06 -0.23 0.00 0.00 178.00 178.61 2cek s PHE 284 N -4.29 2.36 -0.53 1.56 0.08 -1.26 -5.07 117.98 110.83 2cek s PHE 284 Ca -0.06 -0.59 -0.27 0.00 0.12 0.00 0.00 56.93 56.13 2cek s PHE 284 Cb 0.13 -1.46 0.03 0.00 -0.57 0.00 0.00 43.02 41.15 2cek s PHE 284 CO 0.80 0.48 1.06 0.34 -0.10 0.00 0.00 175.22 177.80 2cek s ASP 285 N -3.61 6.46 0.31 1.36 2.15 -1.26 -4.94 116.67 117.13 2cek s ASP 285 Ca 0.33 0.05 -0.03 0.00 0.43 0.00 0.00 52.55 53.33 2cek s ASP 285 Cb 0.05 -2.50 0.01 0.00 -0.30 0.00 0.00 42.92 40.18 2cek s ASP 285 CO 0.16 -1.28 0.45 -1.54 -0.17 0.00 0.00 175.17 172.79 2cek n SER 286 N 7.81 -1.25 -4.11 -0.34 3.41 -1.26 -4.56 113.62 113.32 2cek n SER 286 Ca 0.07 -2.62 -0.12 0.00 -0.26 0.00 0.00 58.87 55.93 2cek n SER 286 Cb 0.48 2.30 -0.11 0.00 -0.26 0.00 0.00 64.21 66.63 2cek n SER 286 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2cek s ILE 287 N -2.72 0.63 -1.25 -1.33 -4.36 -1.02 -4.84 121.20 106.31 2cek s ILE 287 Ca 0.24 -1.48 -0.07 0.00 -0.26 0.00 0.00 60.65 59.09 2cek s ILE 287 Cb -0.01 -1.11 0.01 0.00 1.25 0.00 0.00 42.46 42.59 2cek s ILE 287 CO 0.17 -0.60 0.92 0.33 0.24 0.00 0.00 174.94 176.00 2cek n PHE 288 N 0.77 -2.35 -3.93 1.37 -0.00 -1.26 -4.79 117.46 107.27 2cek n PHE 288 Ca -0.18 0.79 -0.15 0.00 -0.00 0.00 0.00 57.45 57.91 2cek n PHE 288 Cb 0.57 -4.46 -0.15 0.00 -0.00 0.00 0.00 39.48 35.44 2cek n PHE 288 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2cek s ARG 289 N -6.01 0.18 0.10 -4.13 1.81 -1.26 -4.62 118.95 105.02 2cek s ARG 289 Ca 0.46 0.02 0.10 0.00 -1.72 0.00 0.00 55.73 54.59 2cek s ARG 289 Cb -0.20 -0.28 -0.04 0.00 -0.45 0.00 0.00 34.95 33.98 2cek s ARG 289 CO 0.56 -0.05 -0.26 -0.06 -0.68 0.00 0.00 175.30 174.81 2cek s PHE 290 N 0.49 2.26 0.04 -0.53 0.08 -1.26 -5.07 117.98 113.99 2cek s PHE 290 Ca -0.04 -0.39 -0.33 0.00 0.12 0.00 0.00 56.93 56.28 2cek s PHE 290 Cb -0.07 -1.27 -0.18 0.00 -0.57 0.00 0.00 43.02 40.92 2cek s PHE 290 CO -0.01 0.25 1.39 0.77 -0.10 0.00 0.00 175.22 177.52 2cek h SER 291 N 4.22 -1.00 -3.54 1.36 0.02 -1.90 -3.42 113.55 109.29 2cek h SER 291 Ca -0.49 0.03 -0.70 0.00 -0.84 0.00 0.00 61.79 59.79 2cek h SER 291 Cb 1.16 0.26 -0.30 0.00 0.14 0.00 0.00 62.40 63.66 2cek h SER 291 CO 0.41 -0.66 -0.54 -0.36 -1.14 0.00 0.00 176.83 174.54 2cek s PHE 292 N -5.48 3.38 0.33 3.45 0.08 -1.26 -5.01 117.98 113.46 2cek s PHE 292 Ca -0.18 -1.78 0.03 0.00 0.12 0.00 0.00 56.93 55.13 2cek s PHE 292 Cb 0.02 -2.81 -0.05 0.00 -0.57 0.00 0.00 43.02 39.62 2cek s PHE 292 CO 0.53 -0.86 0.11 0.14 -0.10 0.00 0.00 175.22 175.04 2cek s VAL 293 N 1.33 0.71 0.69 -0.44 -7.23 -1.26 -4.51 120.40 109.69 2cek s VAL 293 Ca 0.02 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.03 2cek s VAL 293 Cb -0.22 -2.59 -0.05 0.00 0.56 0.00 0.00 36.38 34.09 2cek s VAL 293 CO 0.00 0.00 0.53 -2.65 -0.31 0.00 0.00 175.10 172.67 2cek n PRO 294 N -0.67 0.35 -4.87 4.82 -0.02 -1.23 -4.69 135.00 128.69 2cek n PRO 294 Ca -0.02 0.16 -0.26 0.00 -2.02 0.00 0.00 63.50 61.36 2cek n PRO 294 Cb 0.66 -1.80 -0.16 0.00 -0.02 0.00 0.00 33.50 32.18 2cek n PRO 294 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2cek s VAL 295 N -1.87 1.45 -0.98 -1.45 0.11 -1.26 -1.54 120.40 114.86 2cek s VAL 295 Ca 0.66 -0.76 -0.23 0.00 -2.93 0.00 0.00 61.98 58.72 2cek s VAL 295 Cb -0.37 -1.22 0.02 0.00 -1.53 0.00 0.00 36.38 33.28 2cek s VAL 295 CO 0.57 0.41 1.60 -0.63 -3.33 0.00 0.00 175.10 173.73 2cek s ILE 296 N -0.24 3.78 -0.78 7.04 1.09 -0.80 -4.74 121.20 126.54 2cek s ILE 296 Ca 0.02 -0.64 0.24 0.00 -1.10 0.00 0.00 60.65 59.17 2cek s ILE 296 Cb -0.09 -4.74 -0.05 0.00 -1.06 0.00 0.00 42.46 36.53 2cek s ILE 296 CO 0.01 -1.63 1.21 -0.90 -0.10 0.00 0.00 174.94 173.52 2cek n ASP 297 N 10.45 0.62 0.00 3.58 3.85 -1.26 -4.14 116.55 129.65 2cek n ASP 297 Ca 0.35 -0.21 0.00 0.00 -0.71 0.00 0.00 54.79 54.22 2cek n ASP 297 Cb 0.50 0.48 0.00 0.00 -1.35 0.00 0.00 41.12 40.75 2cek n ASP 297 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2cek n GLY 298 N 1.42 0.77 1.03 6.12 0.00 -0.28 -4.87 105.19 109.36 2cek n GLY 298 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2cek n GLY 298 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cek n GLU 299 N -2.23 0.00 -0.24 1.61 1.02 -1.26 -4.36 120.64 115.17 2cek n GLU 299 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 2cek n GLU 299 Cb 0.00 -0.08 0.05 0.00 -0.02 0.00 0.00 31.44 31.38 2cek n GLU 299 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2cek h PHE 300 N 0.00 0.95 -3.74 -0.32 3.04 -1.91 -3.35 116.94 111.61 2cek h PHE 300 Ca 0.00 -0.03 -0.68 0.00 3.98 0.00 0.00 57.97 61.24 2cek h PHE 300 Cb 0.00 -0.30 -0.34 0.00 2.56 0.00 0.00 35.95 37.87 2cek h PHE 300 CO 0.00 0.69 -0.74 -0.06 -2.02 0.00 0.00 178.31 176.18 2cek s PHE 301 N -5.80 3.22 0.21 0.41 0.08 -1.26 -4.31 117.98 110.53 2cek s PHE 301 Ca -0.13 -1.95 -0.10 0.00 0.12 0.00 0.00 56.93 54.87 2cek s PHE 301 Cb 0.14 -2.04 0.20 0.00 -0.57 0.00 0.00 43.02 40.75 2cek s PHE 301 CO 0.79 -0.81 1.84 -1.00 -0.10 0.00 0.00 175.22 175.93 2cek h PRO 302 N 7.93 0.78 0.00 0.24 0.13 -1.76 -0.74 132.00 138.58 2cek h PRO 302 Ca -0.23 -0.05 -0.23 0.00 -0.87 0.00 0.00 66.00 64.63 2cek h PRO 302 Cb 1.06 -0.18 -0.06 0.00 0.13 0.00 0.00 31.00 31.96 2cek h PRO 302 CO 0.52 0.52 -0.21 0.25 -0.23 0.00 0.00 178.00 178.85 2cek n THR 303 N -4.70 0.00 -1.61 1.56 -2.24 -1.26 -4.43 114.28 101.60 2cek n THR 303 Ca 0.08 -1.08 -0.37 0.00 -2.27 0.00 0.00 64.05 60.41 2cek n THR 303 Cb 0.11 0.47 0.06 0.00 -2.10 0.00 0.00 70.33 68.88 2cek n THR 303 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2cek n SER 304 N -2.16 1.02 -0.29 3.42 3.41 -1.26 -4.81 113.62 112.95 2cek n SER 304 Ca 0.01 0.78 -0.04 0.00 -0.26 0.00 0.00 58.87 59.36 2cek n SER 304 Cb 0.27 -1.43 0.07 0.00 -0.26 0.00 0.00 64.21 62.86 2cek n SER 304 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2cek h LEU 305 N 0.34 0.92 -0.61 1.04 3.38 -1.99 -1.92 115.31 116.48 2cek h LEU 305 Ca -0.49 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.41 2cek h LEU 305 Cb 1.36 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 2cek h LEU 305 CO 0.50 0.69 0.29 -0.08 0.09 0.00 0.00 178.44 179.93 2cek h GLU 306 N 1.07 0.88 -0.15 1.13 4.57 -1.99 0.02 114.58 120.11 2cek h GLU 306 Ca 0.29 -0.13 -0.09 0.00 -1.18 0.00 0.00 59.36 58.24 2cek h GLU 306 Cb -0.08 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.34 2cek h GLU 306 CO -0.06 0.71 -0.32 0.66 -1.18 0.00 0.00 179.01 178.82 2cek h SER 307 N 0.83 0.30 -0.34 1.04 4.64 -1.86 0.28 113.55 118.45 2cek h SER 307 Ca 0.21 -0.11 -0.05 0.00 -0.47 0.00 0.00 61.79 61.37 2cek h SER 307 Cb 0.13 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 2cek h SER 307 CO -0.03 0.62 0.02 0.24 -0.87 0.00 0.00 176.83 176.81 2cek h MET 308 N 0.26 0.59 -0.59 4.77 2.86 -0.84 -1.28 114.93 120.71 2cek h MET 308 Ca 0.03 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 57.43 2cek h MET 308 Cb 0.70 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 2cek h MET 308 CO 0.05 0.70 0.10 -0.07 1.06 0.00 0.00 176.91 178.75 2cek h LEU 309 N 0.40 0.89 -0.51 1.22 3.38 -0.66 0.26 115.31 120.29 2cek h LEU 309 Ca 0.10 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 2cek h LEU 309 Cb 0.42 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2cek h LEU 309 CO 0.01 0.89 -0.39 0.78 0.09 0.00 0.00 178.44 179.83 2cek h ASN 310 N 0.89 0.84 -0.06 -0.43 2.35 -0.78 -3.15 115.58 115.24 2cek h ASN 310 Ca 0.18 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 2cek h ASN 310 Cb 0.38 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2cek h ASN 310 CO 0.01 1.13 0.00 -1.54 -1.65 0.00 0.00 177.43 175.38 2cek n SER 311 N -4.05 1.45 -0.63 5.81 3.41 -0.50 -4.91 113.62 114.20 2cek n SER 311 Ca -0.02 -1.53 -0.08 0.00 -0.26 0.00 0.00 58.87 56.98 2cek n SER 311 Cb 0.53 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 2cek n SER 311 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cek n GLY 312 N 1.15 0.93 3.37 5.00 0.00 -0.82 -4.92 105.19 109.91 2cek n GLY 312 Ca 0.18 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 2cek n GLY 312 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2cek n ASN 313 N 0.70 4.63 -3.62 1.61 5.15 0.02 -4.83 115.26 118.92 2cek n ASN 313 Ca -0.08 -2.90 -0.05 0.00 -0.60 0.00 0.00 54.58 50.96 2cek n ASN 313 Cb 0.28 -1.72 -0.02 0.00 -0.53 0.00 0.00 39.78 37.79 2cek n ASN 313 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 2cek s PHE 314 N 4.09 -0.20 0.21 1.20 -0.12 -1.26 -4.70 117.98 117.20 2cek s PHE 314 Ca 0.53 0.03 -0.31 0.00 -0.05 0.00 0.00 56.93 57.12 2cek s PHE 314 Cb 0.06 0.57 -0.11 0.00 -0.63 0.00 0.00 43.02 42.92 2cek s PHE 314 CO 0.04 -0.55 1.57 0.21 -0.05 0.00 0.00 175.22 176.44 2cek s LYS 315 N -2.97 4.20 -0.35 1.99 2.20 0.08 -4.97 119.74 119.92 2cek s LYS 315 Ca 0.09 2.42 -0.09 0.00 -0.36 0.00 0.00 55.97 58.03 2cek s LYS 315 Cb -0.00 -3.11 0.02 0.00 -1.51 0.00 0.00 37.83 33.23 2cek s LYS 315 CO -0.04 -0.59 0.16 0.15 -0.36 0.00 0.00 175.35 174.67 2cek s LYS 316 N 0.59 2.90 0.00 4.03 1.02 -1.26 -4.95 119.74 122.06 2cek s LYS 316 Ca 0.67 -1.02 0.00 0.00 0.02 0.00 0.00 55.97 55.65 2cek s LYS 316 Cb -0.45 -3.61 0.00 0.00 -0.52 0.00 0.00 37.83 33.26 2cek s LYS 316 CO 0.36 -0.62 0.00 -2.37 -0.92 0.00 0.00 175.35 171.81 2cek n THR 317 N 4.94 0.00 -3.86 2.17 5.66 -1.26 -4.78 114.28 117.15 2cek n THR 317 Ca -0.13 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.56 2cek n THR 317 Cb 0.46 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.20 2cek n THR 317 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2cek s GLN 318 N 0.92 3.48 0.03 1.09 1.11 -1.26 -1.15 119.66 123.88 2cek s GLN 318 Ca 0.00 -0.33 0.01 0.00 0.01 0.00 0.00 55.36 55.05 2cek s GLN 318 Cb 0.00 -3.02 -0.02 0.00 -1.01 0.00 0.00 33.01 28.96 2cek s GLN 318 CO 0.00 0.60 -0.04 0.96 0.01 0.00 0.00 175.29 176.81 2cek s ILE 319 N -1.49 0.24 -0.08 1.08 -4.36 0.33 -3.01 121.20 113.91 2cek s ILE 319 Ca 0.34 -0.92 0.01 0.00 -0.26 0.00 0.00 60.65 59.82 2cek s ILE 319 Cb -0.13 -0.36 0.02 0.00 1.25 0.00 0.00 42.46 43.24 2cek s ILE 319 CO 0.25 -0.44 -0.08 -0.22 0.24 0.00 0.00 174.94 174.69 2cek s LEU 320 N -1.43 1.34 0.21 0.37 0.20 -0.62 -1.37 118.68 117.37 2cek s LEU 320 Ca -0.13 -0.24 -0.15 0.00 0.69 0.00 0.00 54.13 54.29 2cek s LEU 320 Cb -0.10 -0.72 0.01 0.00 -0.43 0.00 0.00 46.19 44.96 2cek s LEU 320 CO -0.01 -0.05 0.48 -1.48 -0.29 0.00 0.00 176.35 175.00 2cek s LEU 321 N 1.17 0.29 -0.04 -0.68 2.34 -0.40 -1.04 118.68 120.32 2cek s LEU 321 Ca -0.06 -0.68 -0.29 0.00 0.06 0.00 0.00 54.13 53.16 2cek s LEU 321 Cb -0.14 1.90 0.10 0.00 -0.56 0.00 0.00 46.19 47.49 2cek s LEU 321 CO -0.02 -1.06 1.32 -0.83 -1.06 0.00 0.00 176.35 174.70 2cek s GLY 322 N -2.93 -0.19 0.25 -3.48 0.00 -0.93 -1.26 107.32 98.78 2cek s GLY 322 Ca 0.14 0.16 0.02 0.00 0.00 0.00 0.00 44.72 45.03 2cek s GLY 322 CO 0.01 5.39 0.08 -1.34 0.00 0.00 0.00 173.10 177.24 2cek s VAL 323 N -2.04 0.66 0.20 1.40 -7.23 -1.02 -0.91 120.40 111.46 2cek s VAL 323 Ca 0.29 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.50 2cek s VAL 323 Cb 0.00 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 2cek s VAL 323 CO -0.02 -0.07 0.26 0.20 -0.31 0.00 0.00 175.10 175.17 2cek s ASN 324 N -3.32 5.99 0.23 4.85 0.02 -1.26 -0.71 114.94 120.75 2cek s ASN 324 Ca 0.36 -0.01 -0.08 0.00 -1.02 0.00 0.00 52.86 52.11 2cek s ASN 324 Cb 0.08 -1.69 0.22 0.00 0.02 0.00 0.00 41.25 39.88 2cek s ASN 324 CO 0.13 -0.00 1.90 0.50 0.02 0.00 0.00 177.10 179.65 2cek h LYS 325 N 1.73 1.16 -2.23 -0.60 3.64 -1.38 -3.31 116.57 115.58 2cek h LYS 325 Ca -0.49 -0.07 -0.58 0.00 -1.27 0.00 0.00 60.65 58.23 2cek h LYS 325 Cb 1.22 -0.26 -0.42 0.00 -0.41 0.00 0.00 32.23 32.36 2cek h LYS 325 CO 0.63 0.77 -0.70 -0.25 -2.27 0.00 0.00 179.45 177.63 2cek n ASP 326 N -4.47 3.81 0.00 4.20 8.00 -0.49 -4.90 116.55 122.70 2cek n ASP 326 Ca 0.10 -3.53 0.10 0.00 0.71 0.00 0.00 54.79 52.18 2cek n ASP 326 Cb 0.02 -0.60 0.53 0.00 -0.02 0.00 0.00 41.12 41.05 2cek n ASP 326 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2cek h GLU 327 N 3.34 0.32 0.00 -1.24 4.39 -1.72 -3.15 114.58 116.52 2cek h GLU 327 Ca 0.14 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2cek h GLU 327 Cb 0.60 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2cek h GLU 327 CO 0.78 0.21 -0.44 0.41 -1.16 0.00 0.00 179.01 178.82 2cek n GLY 328 N -1.53 -1.35 0.32 -3.84 0.00 -1.26 -4.36 105.19 93.18 2cek n GLY 328 Ca 0.06 -0.27 0.04 0.00 0.00 0.00 0.00 46.02 45.85 2cek n GLY 328 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2cek h SER 329 N 0.00 0.74 1.19 1.61 4.64 -1.78 -2.52 113.55 117.43 2cek h SER 329 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2cek h SER 329 Cb 0.57 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2cek h SER 329 CO 0.00 0.42 0.00 2.22 -0.87 0.00 0.00 176.83 178.60 2cek n PHE 330 N -4.71 0.90 0.14 4.77 -1.74 -1.26 -1.77 117.46 113.79 2cek n PHE 330 Ca 0.15 0.30 0.03 0.00 -0.56 0.00 0.00 57.45 57.37 2cek n PHE 330 Cb 0.29 -0.98 0.03 0.00 1.52 0.00 0.00 39.48 40.34 2cek n PHE 330 CO 0.00 0.00 0.00 0.74 -0.56 0.00 0.00 176.76 176.94 2cek h PHE 331 N 0.00 0.00 0.17 2.97 -1.00 -1.75 -2.79 116.94 114.54 2cek h PHE 331 Ca 0.00 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.55 2cek h PHE 331 Cb 0.59 0.00 0.03 0.00 3.61 0.00 0.00 35.95 40.18 2cek h PHE 331 CO 0.00 0.45 -0.99 -0.07 -1.61 0.00 0.00 178.31 176.09 2cek h LEU 332 N 0.00 0.58 -0.39 1.54 3.38 -1.39 -2.22 115.31 116.81 2cek h LEU 332 Ca -0.02 -0.94 0.07 0.00 0.09 0.00 0.00 57.88 57.08 2cek h LEU 332 Cb 1.36 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.86 2cek h LEU 332 CO 0.06 1.48 0.02 0.25 0.09 0.00 0.00 178.44 180.33 2cek h LEU 333 N -0.22 -0.12 -0.33 1.67 5.85 -1.37 0.59 115.31 121.39 2cek h LEU 333 Ca -0.17 0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.49 2cek h LEU 333 Cb 1.78 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.93 2cek h LEU 333 CO 0.19 -0.02 -0.68 1.88 -0.34 0.00 0.00 178.44 179.47 2cek h TYR 334 N 0.13 0.00 0.00 1.25 0.05 -1.58 -3.41 116.97 113.41 2cek h TYR 334 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.97 2cek h TYR 334 Cb 0.26 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.00 2cek h TYR 334 CO -0.25 0.68 -0.06 0.41 -1.05 0.00 0.00 178.16 177.89 2cek n GLY 335 N 0.89 -0.94 3.29 3.88 0.00 -0.83 -5.07 105.19 106.41 2cek n GLY 335 Ca 0.00 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 2cek n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cek s ALA 336 N -0.34 2.30 0.36 4.61 0.00 0.18 -4.93 121.76 123.94 2cek s ALA 336 Ca 0.01 -0.99 -0.29 0.00 0.00 0.00 0.00 51.96 50.70 2cek s ALA 336 Cb 0.01 -0.84 -0.11 0.00 0.00 0.00 0.00 23.12 22.18 2cek s ALA 336 CO 0.00 0.36 1.53 -1.25 0.00 0.00 0.00 175.76 176.40 2cek s PRO 337 N 0.02 4.10 0.00 0.00 0.04 -1.26 -2.91 135.00 134.98 2cek s PRO 337 Ca -0.08 2.60 0.00 0.00 0.04 0.00 0.00 61.00 63.56 2cek s PRO 337 Cb -0.15 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.41 2cek s PRO 337 CO 0.05 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.92 2cek n GLY 338 N 0.88 1.17 3.78 0.56 0.00 -1.26 -4.90 105.19 105.42 2cek n GLY 338 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2cek n GLY 338 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cek s PHE 339 N -2.31 3.48 0.02 1.61 0.40 -1.15 -4.65 117.98 115.39 2cek s PHE 339 Ca 0.00 0.42 -0.01 0.00 -0.60 0.00 0.00 56.93 56.74 2cek s PHE 339 Cb 0.00 -2.10 -0.02 0.00 0.51 0.00 0.00 43.02 41.41 2cek s PHE 339 CO 0.00 0.44 -0.01 -1.12 0.70 0.00 0.00 175.22 175.23 2cek s SER 340 N -0.11 0.24 0.24 1.36 0.01 -1.26 -4.84 113.70 109.33 2cek s SER 340 Ca 0.11 -0.52 -0.02 0.00 1.31 0.00 0.00 55.95 56.84 2cek s SER 340 Cb -0.12 0.13 0.26 0.00 0.21 0.00 0.00 66.02 66.51 2cek s SER 340 CO 0.01 -0.35 1.65 0.50 0.41 0.00 0.00 173.24 175.46 2cek h LYS 341 N 4.42 0.63 -0.63 12.44 3.64 -1.98 -3.28 116.57 131.81 2cek h LYS 341 Ca -0.32 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 2cek h LYS 341 Cb 1.20 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2cek h LYS 341 CO 0.44 0.84 0.00 -0.25 -2.27 0.00 0.00 179.45 178.21 2cek n ASP 342 N -4.10 5.12 -4.33 4.20 10.43 -1.26 -4.42 116.55 122.20 2cek n ASP 342 Ca -0.00 -2.68 -0.17 0.00 2.57 0.00 0.00 54.79 54.51 2cek n ASP 342 Cb 0.44 -0.63 -0.10 0.00 1.84 0.00 0.00 41.12 42.67 2cek n ASP 342 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 2cek s SER 343 N -0.80 1.26 0.08 -2.24 1.04 -1.24 -5.02 113.70 106.79 2cek s SER 343 Ca 0.51 -1.38 0.21 0.00 0.48 0.00 0.00 55.95 55.77 2cek s SER 343 Cb 0.36 0.15 0.86 0.00 0.10 0.00 0.00 66.02 67.49 2cek s SER 343 CO 0.19 -0.72 1.66 -0.62 0.98 0.00 0.00 173.24 174.73 2cek n GLU 344 N -0.48 0.07 -3.58 4.02 1.02 -1.26 -4.76 120.64 115.67 2cek n GLU 344 Ca -0.00 0.23 -0.20 0.00 -0.02 0.00 0.00 57.16 57.17 2cek n GLU 344 Cb 0.66 -1.62 0.06 0.00 -0.02 0.00 0.00 31.44 30.53 2cek n GLU 344 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2cek n SER 345 N -1.76 -2.27 -4.69 1.62 7.64 -1.26 -4.84 113.62 108.08 2cek n SER 345 Ca 0.04 -0.70 -0.42 0.00 1.01 0.00 0.00 58.87 58.80 2cek n SER 345 Cb 0.25 -4.63 -0.03 0.00 -1.01 0.00 0.00 64.21 58.80 2cek n SER 345 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2cek s LYS 346 N -5.77 4.30 -0.13 1.43 1.02 -1.26 -4.71 119.74 114.63 2cek s LYS 346 Ca 0.10 1.85 -0.13 0.00 0.02 0.00 0.00 55.97 57.81 2cek s LYS 346 Cb -0.05 -3.58 -0.05 0.00 -0.52 0.00 0.00 37.83 33.64 2cek s LYS 346 CO 0.77 -0.54 0.28 0.42 -0.92 0.00 0.00 175.35 175.36 2cek s ILE 347 N 2.41 5.30 0.92 2.17 -1.09 -0.79 -4.95 121.20 125.15 2cek s ILE 347 Ca 0.61 0.53 -0.12 0.00 -2.23 0.00 0.00 60.65 59.43 2cek s ILE 347 Cb -0.29 -3.60 0.14 0.00 -1.58 0.00 0.00 42.46 37.13 2cek s ILE 347 CO 0.24 0.45 1.12 -0.94 -1.23 0.00 0.00 174.94 174.58 2cek s SER 348 N 0.02 3.43 0.31 3.58 1.04 -1.26 -4.21 113.70 116.60 2cek s SER 348 Ca 0.17 1.10 0.04 0.00 0.48 0.00 0.00 55.95 57.73 2cek s SER 348 Cb -0.13 -1.72 0.50 0.00 0.10 0.00 0.00 66.02 64.76 2cek s SER 348 CO 0.05 -2.62 1.78 -0.09 0.98 0.00 0.00 173.24 173.34 2cek h ARG 349 N -1.54 0.46 -0.16 4.02 9.65 -1.92 -1.31 114.38 123.59 2cek h ARG 349 Ca -0.51 -0.15 -0.02 0.00 -1.10 0.00 0.00 59.98 58.20 2cek h ARG 349 Cb 1.32 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.85 2cek h ARG 349 CO 0.60 0.63 0.01 1.49 2.80 0.00 0.00 179.97 185.50 2cek h GLU 350 N 0.42 0.27 0.00 0.20 4.57 -1.98 -2.26 114.58 115.80 2cek h GLU 350 Ca 0.07 -0.08 -0.06 0.00 -1.18 0.00 0.00 59.36 58.11 2cek h GLU 350 Cb 0.55 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 2cek h GLU 350 CO 0.04 0.47 -0.30 -0.44 -1.18 0.00 0.00 179.01 177.60 2cek h ASP 351 N 0.03 0.00 -0.19 1.04 3.45 -1.87 -1.30 116.42 117.58 2cek h ASP 351 Ca 0.05 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.48 2cek h ASP 351 Cb 0.35 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.11 2cek h ASP 351 CO 0.01 0.30 0.03 0.15 -1.57 0.00 0.00 179.24 178.16 2cek h PHE 352 N 0.00 0.34 -0.62 4.55 3.57 -1.03 0.10 116.94 123.85 2cek h PHE 352 Ca -0.00 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.40 2cek h PHE 352 Cb 0.62 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 2cek h PHE 352 CO 0.00 0.47 0.20 0.52 -2.23 0.00 0.00 178.31 177.28 2cek h MET 353 N 0.11 0.93 -0.57 1.11 2.86 -1.01 -0.20 114.93 118.16 2cek h MET 353 Ca 0.06 -0.17 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 2cek h MET 353 Cb 0.32 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 2cek h MET 353 CO 0.00 0.79 0.08 0.77 1.06 0.00 0.00 176.91 179.61 2cek h SER 354 N 0.90 0.91 -0.64 1.22 0.02 -1.00 -2.44 113.55 112.52 2cek h SER 354 Ca 0.20 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 2cek h SER 354 Cb 0.24 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2cek h SER 354 CO -0.01 0.95 0.31 1.23 -1.14 0.00 0.00 176.83 178.17 2cek h GLY 355 N 0.84 0.98 1.00 -3.77 0.00 -0.06 -2.31 103.07 99.76 2cek h GLY 355 Ca 0.17 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2cek h GLY 355 CO 0.01 0.46 0.43 -2.08 0.00 0.00 0.00 176.54 175.36 2cek h VAL 356 N 0.88 1.19 -0.87 4.60 2.07 -0.87 -0.92 116.25 122.33 2cek h VAL 356 Ca 0.22 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2cek h VAL 356 Cb 0.11 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 2cek h VAL 356 CO -0.03 0.19 0.56 0.50 0.02 0.00 0.00 177.57 178.81 2cek h LYS 357 N 0.93 1.16 -0.13 1.57 1.63 -1.16 -2.15 116.57 118.43 2cek h LYS 357 Ca 0.25 -0.08 -0.13 0.00 -0.85 0.00 0.00 60.65 59.84 2cek h LYS 357 Cb -0.06 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.30 2cek h LYS 357 CO -0.05 0.78 -0.47 -0.07 -3.45 0.00 0.00 179.45 176.19 2cek h LEU 358 N 1.18 0.34 -0.54 5.20 3.38 -0.93 -3.18 115.31 120.77 2cek h LEU 358 Ca 0.32 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.97 2cek h LEU 358 Cb -0.11 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2cek h LEU 358 CO -0.07 0.76 -0.72 0.28 0.09 0.00 0.00 178.44 178.79 2cek h SER 359 N 0.26 0.12 -2.15 -0.43 0.02 -0.73 -2.71 113.55 107.93 2cek h SER 359 Ca 0.02 -0.08 -0.57 0.00 -0.84 0.00 0.00 61.79 60.31 2cek h SER 359 Cb 0.93 -0.04 -0.41 0.00 0.14 0.00 0.00 62.40 63.02 2cek h SER 359 CO 0.08 0.80 -0.80 0.52 -1.14 0.00 0.00 176.83 176.28 2cek n VAL 360 N -3.73 1.54 -0.11 2.27 0.31 -0.85 -4.92 118.33 112.83 2cek n VAL 360 Ca -0.02 -4.97 0.21 0.00 -0.01 0.00 0.00 64.34 59.55 2cek n VAL 360 Cb 0.70 -1.64 0.63 0.00 -0.91 0.00 0.00 33.84 32.61 2cek n VAL 360 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2cek h PRO 361 N 3.68 0.15 -0.85 5.55 0.13 -1.67 -2.15 132.00 136.82 2cek h PRO 361 Ca 0.14 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2cek h PRO 361 Cb 0.71 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 2cek h PRO 361 CO 0.71 0.10 0.00 -2.39 -0.23 0.00 0.00 178.00 176.19 2cek n HIS 362 N -4.40 0.77 -4.41 1.56 1.44 -1.26 -4.92 115.22 104.00 2cek n HIS 362 Ca 0.14 -0.28 -0.31 0.00 -2.01 0.00 0.00 57.72 55.26 2cek n HIS 362 Cb 0.67 -0.26 -0.11 0.00 0.12 0.00 0.00 29.99 30.42 2cek n HIS 362 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2cek s ALA 363 N -1.63 2.86 0.83 1.59 0.00 -0.81 -5.10 121.76 119.49 2cek s ALA 363 Ca 0.20 -1.17 -0.09 0.00 0.00 0.00 0.00 51.96 50.90 2cek s ALA 363 Cb 0.15 -0.91 0.15 0.00 0.00 0.00 0.00 23.12 22.51 2cek s ALA 363 CO 0.06 0.61 1.15 0.54 0.00 0.00 0.00 175.76 178.12 2cek s ASN 364 N -1.77 3.89 0.25 0.00 2.20 -1.26 -4.77 114.94 113.48 2cek s ASN 364 Ca 0.18 0.09 -0.03 0.00 -0.94 0.00 0.00 52.86 52.17 2cek s ASN 364 Cb -0.11 -0.38 0.44 0.00 -2.00 0.00 0.00 41.25 39.21 2cek s ASN 364 CO 0.09 -2.20 1.81 0.44 -2.94 0.00 0.00 177.10 174.31 2cek h ASP 365 N -1.05 0.72 -0.72 3.54 3.45 -2.00 0.22 116.42 120.58 2cek h ASP 365 Ca -0.42 0.05 -0.04 0.00 0.43 0.00 0.00 57.03 57.06 2cek h ASP 365 Cb 1.26 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 39.91 2cek h ASP 365 CO 0.44 0.40 0.31 0.25 -1.57 0.00 0.00 179.24 179.07 2cek h LEU 366 N 0.83 0.98 -0.23 1.55 5.85 -1.99 0.13 115.31 122.43 2cek h LEU 366 Ca 0.42 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 2cek h LEU 366 Cb 0.41 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2cek h LEU 366 CO -0.26 0.86 0.13 1.23 -0.34 0.00 0.00 178.44 180.06 2cek h GLY 367 N 1.03 0.34 1.11 3.75 0.00 -1.56 -0.03 103.07 107.71 2cek h GLY 367 Ca 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2cek h GLY 367 CO -0.02 0.15 0.58 1.41 0.00 0.00 0.00 176.54 178.65 2cek h LEU 368 N 0.26 1.05 -0.73 3.11 3.38 -0.67 -1.64 115.31 120.07 2cek h LEU 368 Ca 0.08 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2cek h LEU 368 Cb 0.06 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2cek h LEU 368 CO -0.01 0.77 0.16 0.44 0.09 0.00 0.00 178.44 179.89 2cek h ASP 369 N 1.22 1.07 -0.32 -0.43 3.32 -0.50 -0.82 116.42 119.95 2cek h ASP 369 Ca 0.33 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2cek h ASP 369 Cb -0.11 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.14 2cek h ASP 369 CO -0.07 1.03 0.17 0.00 -1.72 0.00 0.00 179.24 178.65 2cek h ALA 370 N 1.10 0.42 0.11 3.45 0.00 -0.22 0.18 119.26 124.31 2cek h ALA 370 Ca 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2cek h ALA 370 Cb 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2cek h ALA 370 CO 0.00 -0.05 -0.05 0.28 0.00 0.00 0.00 179.25 179.43 2cek h VAL 371 N 0.40 0.96 -0.49 0.00 2.07 -1.16 -1.61 116.25 116.42 2cek h VAL 371 Ca 0.11 -0.26 0.09 0.00 0.82 0.00 0.00 66.70 67.46 2cek h VAL 371 Cb 0.08 1.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 2cek h VAL 371 CO -0.02 0.06 0.05 0.74 0.02 0.00 0.00 177.57 178.43 2cek h THR 372 N -0.27 0.67 -0.77 2.57 2.02 -1.01 -1.40 112.91 114.72 2cek h THR 372 Ca -0.02 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 2cek h THR 372 Cb 0.22 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 2cek h THR 372 CO 0.03 0.03 0.40 0.25 0.37 0.00 0.00 175.52 176.59 2cek h LEU 373 N 0.17 0.99 -1.32 2.58 5.85 -0.84 -2.36 115.31 120.38 2cek h LEU 373 Ca 0.25 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 2cek h LEU 373 Cb 0.35 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2cek h LEU 373 CO -0.36 0.82 0.08 -0.61 -0.34 0.00 0.00 178.44 178.04 2cek h GLN 374 N 1.08 0.54 -0.29 1.25 5.75 -0.30 -3.14 115.11 120.01 2cek h GLN 374 Ca 0.27 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 2cek h GLN 374 Cb 0.08 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.54 2cek h GLN 374 CO -0.04 0.51 0.00 0.66 -2.65 0.00 0.00 178.83 177.31 2cek n TYR 375 N -4.33 1.03 -4.92 3.99 4.02 -0.63 -4.98 117.16 111.35 2cek n TYR 375 Ca 0.02 -0.86 -0.33 0.00 -0.01 0.00 0.00 57.90 56.72 2cek n TYR 375 Cb 0.19 -0.33 -0.15 0.00 -0.02 0.00 0.00 39.34 39.03 2cek n TYR 375 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2cek s THR 376 N -2.80 2.74 -0.59 -0.72 2.01 -0.91 -4.82 115.64 110.55 2cek s THR 376 Ca 0.43 -0.78 -0.22 0.00 0.31 0.00 0.00 61.69 61.43 2cek s THR 376 Cb 0.35 -2.12 0.06 0.00 0.01 0.00 0.00 72.50 70.80 2cek s THR 376 CO 0.10 0.54 0.86 -0.62 -0.69 0.00 0.00 174.62 174.81 2cek s ASP 377 N 0.29 6.23 0.00 3.53 3.68 -1.26 -4.90 116.67 124.24 2cek s ASP 377 Ca -0.12 -0.84 0.14 0.00 2.13 0.00 0.00 52.55 53.86 2cek s ASP 377 Cb -0.16 -2.39 0.64 0.00 -1.45 0.00 0.00 42.92 39.57 2cek s ASP 377 CO 0.06 -1.24 1.43 0.79 0.13 0.00 0.00 175.17 176.35 2cek n TRP 378 N 7.19 0.00 0.71 -5.34 7.02 -1.26 -1.30 117.44 124.46 2cek n TRP 378 Ca -0.03 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.57 2cek n TRP 378 Cb 0.46 -0.43 0.28 0.00 -2.42 0.00 0.00 31.31 29.20 2cek n TRP 378 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 2cek n MET 379 N -1.43 0.20 -2.72 -0.99 2.81 -1.26 -4.33 117.12 109.40 2cek n MET 379 Ca 0.05 0.08 -0.08 0.00 -1.81 0.00 0.00 57.70 55.94 2cek n MET 379 Cb 0.15 -1.65 0.08 0.00 -0.71 0.00 0.00 33.22 31.09 2cek n MET 379 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2cek n ASP 380 N -1.95 -0.94 0.15 7.83 2.03 -0.63 -5.00 116.55 118.03 2cek n ASP 380 Ca 0.05 -2.72 0.11 0.00 0.52 0.00 0.00 54.79 52.75 2cek n ASP 380 Cb 0.41 0.64 0.54 0.00 -0.72 0.00 0.00 41.12 41.99 2cek n ASP 380 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2cek n ASP 381 N -0.29 0.58 -1.38 1.67 5.75 -0.42 -2.61 116.55 119.85 2cek n ASP 381 Ca 0.03 0.72 0.08 0.00 -0.01 0.00 0.00 54.79 55.61 2cek n ASP 381 Cb 0.81 -0.82 0.33 0.00 -1.03 0.00 0.00 41.12 40.41 2cek n ASP 381 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2cek n ASN 382 N -2.23 4.77 -4.62 -1.12 4.13 -1.26 -4.76 115.26 110.16 2cek n ASN 382 Ca -0.00 -2.93 -0.43 0.00 1.68 0.00 0.00 54.58 52.90 2cek n ASN 382 Cb 0.10 -0.61 -0.02 0.00 -1.54 0.00 0.00 39.78 37.71 2cek n ASN 382 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2cek s ASN 383 N -1.34 6.77 0.31 6.41 3.04 -1.07 -4.92 114.94 124.14 2cek s ASN 383 Ca 0.48 0.91 -0.01 0.00 0.04 0.00 0.00 52.86 54.29 2cek s ASN 383 Cb 0.37 -2.54 0.50 0.00 -1.54 0.00 0.00 41.25 38.04 2cek s ASN 383 CO 0.13 -1.05 1.97 1.23 -3.04 0.00 0.00 177.10 176.34 2cek h GLY 384 N 10.66 1.14 0.73 1.21 0.00 -1.92 -0.96 103.07 113.93 2cek h GLY 384 Ca -0.23 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 2cek h GLY 384 CO 1.06 0.38 -0.01 -2.22 0.00 0.00 0.00 176.54 175.76 2cek h ILE 385 N 1.05 1.27 -0.68 2.60 1.08 -1.91 -1.11 117.51 119.82 2cek h ILE 385 Ca 0.31 -0.86 -0.02 0.00 -0.39 0.00 0.00 64.86 63.89 2cek h ILE 385 Cb -0.06 1.67 -0.03 0.00 -3.07 0.00 0.00 36.82 35.33 2cek h ILE 385 CO -0.08 0.24 0.33 0.11 -0.69 0.00 0.00 178.15 178.06 2cek h LYS 386 N -0.14 0.96 -0.38 2.37 1.57 -1.89 0.95 116.57 120.01 2cek h LYS 386 Ca 0.02 -0.13 -0.11 0.00 -1.87 0.00 0.00 60.65 58.57 2cek h LYS 386 Cb 0.38 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2cek h LYS 386 CO 0.01 0.74 -0.17 -0.91 -0.57 0.00 0.00 179.45 178.54 2cek h ASN 387 N 0.96 0.81 0.66 0.86 -0.26 -1.13 0.13 115.58 117.62 2cek h ASN 387 Ca 0.24 -0.40 -0.03 0.00 -0.56 0.00 0.00 56.30 55.54 2cek h ASN 387 Cb 0.10 -0.22 0.01 0.00 -1.06 0.00 0.00 38.32 37.14 2cek h ASN 387 CO -0.03 1.03 -0.32 -0.09 -1.06 0.00 0.00 177.43 176.96 2cek h ARG 388 N 0.58 -0.86 -0.10 0.81 2.43 -0.73 -1.85 114.38 114.67 2cek h ARG 388 Ca 0.09 0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 2cek h ARG 388 Cb 0.72 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 2cek h ARG 388 CO 0.05 -0.55 -0.01 -0.44 -1.51 0.00 0.00 179.97 177.51 2cek h ASP 389 N -0.96 0.12 -0.30 -3.80 3.45 -0.85 -1.71 116.42 112.38 2cek h ASP 389 Ca -0.09 -0.01 -0.04 0.00 0.43 0.00 0.00 57.03 57.31 2cek h ASP 389 Cb 0.70 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.43 2cek h ASP 389 CO 0.15 0.16 0.01 1.23 -1.57 0.00 0.00 179.24 179.22 2cek h GLY 390 N 0.33 0.56 1.06 2.75 0.00 -0.51 -1.77 103.07 105.48 2cek h GLY 390 Ca 0.03 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 2cek h GLY 390 CO 0.00 0.37 0.21 1.41 0.00 0.00 0.00 176.54 178.53 2cek h LEU 391 N 0.31 1.09 -0.64 3.11 3.38 -0.86 -0.89 115.31 120.82 2cek h LEU 391 Ca 0.08 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.88 2cek h LEU 391 Cb 0.42 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 2cek h LEU 391 CO 0.01 1.02 0.38 -0.78 0.09 0.00 0.00 178.44 179.16 2cek h ASP 392 N 1.10 0.59 -0.42 -0.43 -0.00 -1.16 -0.89 116.42 115.21 2cek h ASP 392 Ca 0.23 0.01 -0.14 0.00 -0.00 0.00 0.00 57.03 57.14 2cek h ASP 392 Cb 0.34 -0.11 -0.01 0.00 -0.00 0.00 0.00 39.33 39.55 2cek h ASP 392 CO -0.00 0.40 -0.27 0.44 -0.00 0.00 0.00 179.24 179.81 2cek h ASP 393 N 0.72 0.96 -0.15 2.28 3.45 -0.98 -1.74 116.42 120.95 2cek h ASP 393 Ca 0.27 -0.43 0.04 0.00 0.43 0.00 0.00 57.03 57.34 2cek h ASP 393 Cb 0.10 -0.27 -0.04 0.00 -0.56 0.00 0.00 39.33 38.56 2cek h ASP 393 CO -0.14 1.18 -0.09 0.40 -1.57 0.00 0.00 179.24 179.01 2cek h ILE 394 N 0.74 0.72 -0.22 0.35 2.04 -0.62 0.41 117.51 120.93 2cek h ILE 394 Ca 0.08 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 2cek h ILE 394 Cb 0.85 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2cek h ILE 394 CO 0.07 0.00 0.10 0.58 0.00 0.00 0.00 178.15 178.91 2cek h VAL 395 N -0.09 1.14 -0.45 1.67 2.07 -1.10 -0.82 116.25 118.67 2cek h VAL 395 Ca 0.09 -0.42 -0.12 0.00 0.82 0.00 0.00 66.70 67.07 2cek h VAL 395 Cb 0.22 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2cek h VAL 395 CO -0.21 0.14 -0.17 1.23 0.02 0.00 0.00 177.57 178.59 2cek h GLY 396 N 0.22 0.99 0.77 2.17 0.00 -1.10 -1.64 103.07 104.47 2cek h GLY 396 Ca 0.07 -0.86 -0.00 0.00 0.00 0.00 0.00 47.33 46.55 2cek h GLY 396 CO -0.01 0.78 -0.01 -0.55 0.00 0.00 0.00 176.54 176.75 2cek h ASP 397 N 0.75 -0.03 -0.22 0.19 3.45 -0.13 -0.09 116.42 120.33 2cek h ASP 397 Ca 0.11 -0.23 -0.05 0.00 0.43 0.00 0.00 57.03 57.29 2cek h ASP 397 Cb 0.73 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.50 2cek h ASP 397 CO 0.06 0.21 -0.04 -0.74 -1.57 0.00 0.00 179.24 177.16 2cek h HIS 398 N -0.27 0.47 0.00 4.55 2.76 -1.19 -0.02 115.15 121.45 2cek h HIS 398 Ca -0.00 -0.10 -0.12 0.00 -2.20 0.00 0.00 60.37 57.95 2cek h HIS 398 Cb 0.25 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 2cek h HIS 398 CO 0.00 0.64 -1.00 -0.91 -1.30 0.00 0.00 177.93 175.37 2cek h ASN 399 N 0.16 0.00 0.00 3.26 2.35 -1.38 -3.41 115.58 116.56 2cek h ASN 399 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2cek h ASN 399 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2cek h ASN 399 CO 0.02 0.46 0.00 0.52 -1.65 0.00 0.00 177.43 176.78 2cek n VAL 400 N -2.99 0.12 0.27 2.81 0.31 -0.36 -4.64 118.33 113.86 2cek n VAL 400 Ca -0.04 0.04 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 2cek n VAL 400 Cb 0.76 -0.72 -0.09 0.00 -0.91 0.00 0.00 33.84 32.88 2cek n VAL 400 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2cek h ILE 401 N 0.00 0.16 -0.51 2.52 2.04 -1.18 -1.86 117.51 118.68 2cek h ILE 401 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2cek h ILE 401 Cb 0.00 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 2cek h ILE 401 CO 0.00 0.00 0.17 0.00 0.00 0.00 0.00 178.15 178.32 2cek h PRO 403 N 0.73 1.12 -0.44 0.00 0.11 -1.70 -1.04 132.00 130.78 2cek h PRO 403 Ca 0.17 -0.25 -0.11 0.00 0.11 0.00 0.00 66.00 65.92 2cek h PRO 403 Cb 0.20 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 2cek h PRO 403 CO -0.01 0.96 -0.18 1.25 -0.21 0.00 0.00 178.00 179.81 2cek h LEU 404 N 1.07 0.86 -1.04 2.35 6.46 -0.67 -1.32 115.31 123.00 2cek h LEU 404 Ca 0.23 -0.30 -0.08 0.00 -0.12 0.00 0.00 57.88 57.61 2cek h LEU 404 Cb 0.33 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 2cek h LEU 404 CO -0.00 1.02 -0.16 0.24 -0.62 0.00 0.00 178.44 178.92 2cek h MET 405 N 0.75 0.50 -0.41 1.25 2.86 -0.54 0.17 114.93 119.50 2cek h MET 405 Ca 0.11 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.50 2cek h MET 405 Cb 0.71 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 2cek h MET 405 CO 0.05 0.64 -0.12 1.25 1.06 0.00 0.00 176.91 179.80 2cek h HIS 406 N 0.46 0.91 -0.06 -0.22 -0.00 -0.87 -2.07 115.15 113.30 2cek h HIS 406 Ca 0.08 -0.20 -0.00 0.00 -0.00 0.00 0.00 60.37 60.24 2cek h HIS 406 Cb 0.54 -0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 27.73 2cek h HIS 406 CO 0.02 0.94 0.02 0.35 -0.00 0.00 0.00 177.93 179.26 2cek h PHE 407 N 0.62 0.10 -0.82 5.26 3.57 -0.76 -1.91 116.94 123.00 2cek h PHE 407 Ca 0.10 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.60 2cek h PHE 407 Cb 0.65 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 2cek h PHE 407 CO 0.05 0.25 0.54 -0.24 -2.23 0.00 0.00 178.31 176.68 2cek h VAL 408 N -0.07 1.21 -0.52 1.41 3.04 -0.65 0.15 116.25 120.82 2cek h VAL 408 Ca 0.02 -0.39 -0.10 0.00 -1.01 0.00 0.00 66.70 65.22 2cek h VAL 408 Cb 0.19 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 29.45 2cek h VAL 408 CO -0.00 0.21 -0.07 0.78 -1.01 0.00 0.00 177.57 177.47 2cek h ASN 409 N 1.12 0.94 -0.33 3.17 2.35 -1.31 -0.39 115.58 121.13 2cek h ASN 409 Ca 0.30 -0.29 -0.12 0.00 -0.55 0.00 0.00 56.30 55.64 2cek h ASN 409 Cb -0.13 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 37.98 2cek h ASN 409 CO -0.06 1.04 -0.27 0.11 -1.65 0.00 0.00 177.43 176.60 2cek h LYS 410 N 0.86 0.76 -0.08 0.81 1.79 -0.92 -3.29 116.57 116.51 2cek h LYS 410 Ca 0.14 -0.38 -0.01 0.00 -2.18 0.00 0.00 60.65 58.22 2cek h LYS 410 Cb 0.61 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.26 2cek h LYS 410 CO 0.04 1.01 0.01 -0.92 -1.08 0.00 0.00 179.45 178.51 2cek h TYR 411 N 0.54 0.15 -0.55 -1.35 3.20 -0.56 -3.13 116.97 115.26 2cek h TYR 411 Ca 0.06 -0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.07 2cek h TYR 411 Cb 0.84 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 2cek h TYR 411 CO 0.07 0.36 0.52 1.15 -1.64 0.00 0.00 178.16 178.61 2cek h THR 412 N -0.10 0.42 -0.03 1.81 2.02 -1.14 0.34 112.91 116.24 2cek h THR 412 Ca 0.03 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.15 2cek h THR 412 Cb 0.29 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2cek h THR 412 CO 0.00 0.00 -0.23 0.11 0.37 0.00 0.00 175.52 175.77 2cek h LYS 413 N 0.00 0.05 0.00 6.66 1.57 -1.61 -3.27 116.57 119.97 2cek h LYS 413 Ca 0.26 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 2cek h LYS 413 Cb 1.29 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 2cek h LYS 413 CO -0.00 0.28 -1.31 1.19 -0.57 0.00 0.00 179.45 179.04 2cek n PHE 414 N -4.25 0.00 -0.48 -1.35 3.72 -0.13 -5.07 117.46 109.90 2cek n PHE 414 Ca -0.02 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.09 2cek n PHE 414 Cb 0.30 -0.18 0.27 0.00 -0.94 0.00 0.00 39.48 38.94 2cek n PHE 414 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2cek s GLY 415 N -2.95 1.47 -0.17 1.37 0.00 0.10 -4.85 107.32 102.29 2cek s GLY 415 Ca -0.02 -0.57 0.17 0.00 0.00 0.00 0.00 44.72 44.30 2cek s GLY 415 CO 0.26 0.33 1.36 -2.01 0.00 0.00 0.00 173.10 173.04 2cek n ASN 416 N -5.32 3.55 0.00 1.64 4.05 -0.30 -4.91 115.26 113.97 2cek n ASN 416 Ca 0.09 -3.04 0.00 0.00 0.45 0.00 0.00 54.58 52.07 2cek n ASN 416 Cb 0.58 -0.52 0.00 0.00 1.23 0.00 0.00 39.78 41.07 2cek n ASN 416 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2cek n GLY 417 N -0.72 3.40 3.15 8.20 0.00 -1.25 -4.64 105.19 113.33 2cek n GLY 417 Ca 0.20 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 2cek n GLY 417 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cek s THR 418 N 0.00 1.47 -0.15 2.61 2.01 -1.26 -0.52 115.64 119.81 2cek s THR 418 Ca 0.00 -0.75 -0.00 0.00 0.31 0.00 0.00 61.69 61.24 2cek s THR 418 Cb 0.00 -1.25 0.03 0.00 0.01 0.00 0.00 72.50 71.29 2cek s THR 418 CO 0.00 0.42 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.97 2cek s TYR 419 N -0.09 1.67 -0.06 4.92 2.02 -0.47 0.28 117.35 125.62 2cek s TYR 419 Ca -0.01 -0.99 0.01 0.00 -0.37 0.00 0.00 57.07 55.72 2cek s TYR 419 Cb -0.11 -1.31 -0.03 0.00 -0.40 0.00 0.00 41.96 40.12 2cek s TYR 419 CO 0.02 -0.59 -0.07 -1.17 -1.57 0.00 0.00 175.55 172.16 2cek s LEU 420 N 1.65 3.13 0.13 -1.29 2.96 -1.26 -1.27 118.68 122.73 2cek s LEU 420 Ca 0.02 -0.05 0.04 0.00 -0.22 0.00 0.00 54.13 53.92 2cek s LEU 420 Cb -0.14 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 2cek s LEU 420 CO -0.08 0.35 -0.10 -0.72 -1.32 0.00 0.00 176.35 174.48 2cek s TYR 421 N -0.83 1.21 -0.27 5.38 -0.85 -0.39 -2.39 117.35 119.21 2cek s TYR 421 Ca 0.13 -0.74 -0.01 0.00 -0.52 0.00 0.00 57.07 55.93 2cek s TYR 421 Cb -0.11 -0.63 0.09 0.00 0.38 0.00 0.00 41.96 41.69 2cek s TYR 421 CO 0.02 0.06 0.07 0.12 -1.52 0.00 0.00 175.55 174.29 2cek s PHE 422 N -3.10 1.62 -0.41 -3.49 5.36 0.14 -2.43 117.98 115.66 2cek s PHE 422 Ca 0.14 -1.52 -0.26 0.00 -0.96 0.00 0.00 56.93 54.32 2cek s PHE 422 Cb 0.01 -1.53 0.02 0.00 -0.34 0.00 0.00 43.02 41.18 2cek s PHE 422 CO 0.00 -0.80 0.96 0.12 -1.46 0.00 0.00 175.22 174.04 2cek s PHE 423 N 1.65 3.00 -0.17 10.12 5.36 0.11 -0.83 117.98 137.22 2cek s PHE 423 Ca 0.05 0.66 0.17 0.00 -0.96 0.00 0.00 56.93 56.85 2cek s PHE 423 Cb -0.17 -3.84 0.45 0.00 -0.34 0.00 0.00 43.02 39.11 2cek s PHE 423 CO -0.19 -0.96 1.18 0.27 -1.46 0.00 0.00 175.22 174.06 2cek n ASN 424 N 7.03 2.07 -4.61 6.13 6.94 -1.15 -1.43 115.26 130.23 2cek n ASN 424 Ca 0.08 -2.93 -0.37 0.00 -0.02 0.00 0.00 54.58 51.33 2cek n ASN 424 Cb 0.48 -0.41 -0.10 0.00 -2.36 0.00 0.00 39.78 37.39 2cek n ASN 424 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 2cek s HIS 425 N -2.41 3.26 -0.36 -2.53 2.46 -1.25 -4.96 115.29 109.49 2cek s HIS 425 Ca 0.37 0.12 -0.21 0.00 0.47 0.00 0.00 55.06 55.80 2cek s HIS 425 Cb 0.37 -2.29 0.01 0.00 -0.13 0.00 0.00 32.58 30.55 2cek s HIS 425 CO -0.07 -0.04 0.69 0.50 -2.47 0.00 0.00 174.74 173.34 2cek s ARG 426 N 1.27 3.68 0.32 2.88 6.06 -1.26 -4.88 118.95 127.02 2cek s ARG 426 Ca 0.07 0.12 -0.29 0.00 -2.50 0.00 0.00 55.73 53.12 2cek s ARG 426 Cb -0.14 -3.82 -0.12 0.00 0.06 0.00 0.00 34.95 30.93 2cek s ARG 426 CO 0.06 -0.79 1.46 0.00 -2.50 0.00 0.00 175.30 173.53 2cek n ALA 427 N 6.19 1.93 0.24 6.12 0.00 -1.26 -4.91 120.51 128.82 2cek n ALA 427 Ca 0.00 0.37 0.09 0.00 0.00 0.00 0.00 53.44 53.90 2cek n ALA 427 Cb 0.48 -2.37 0.61 0.00 0.00 0.00 0.00 19.45 18.18 2cek n ALA 427 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2cek h SER 428 N 3.64 0.00 -0.62 0.00 4.64 -1.95 -2.69 113.55 116.57 2cek h SER 428 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2cek h SER 428 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2cek h SER 428 CO 0.70 0.17 0.00 -0.46 -0.87 0.00 0.00 176.83 176.38 2cek n ASN 429 N -3.89 4.92 -4.71 4.97 0.23 -1.26 -4.99 115.26 110.52 2cek n ASN 429 Ca -0.02 -2.56 -0.42 0.00 -0.53 0.00 0.00 54.58 51.05 2cek n ASN 429 Cb 0.27 -0.60 -0.03 0.00 -2.08 0.00 0.00 39.78 37.34 2cek n ASN 429 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 2cek n LEU 430 N 0.96 3.92 0.08 -4.53 -0.00 -1.02 -4.91 117.00 111.51 2cek n LEU 430 Ca 0.26 1.06 0.12 0.00 -0.00 0.00 0.00 56.01 57.45 2cek n LEU 430 Cb 0.95 -1.56 0.05 0.00 -0.00 0.00 0.00 43.42 42.86 2cek n LEU 430 CO 0.25 0.14 0.12 -0.37 -0.00 0.00 0.00 177.39 177.53 2cek h VAL 431 N 3.77 0.00 -4.22 1.96 -1.51 -1.94 -3.47 116.25 110.84 2cek h VAL 431 Ca -0.43 -0.79 -0.49 0.00 -1.23 0.00 0.00 66.70 63.75 2cek h VAL 431 Cb 1.21 1.30 0.06 0.00 -2.13 0.00 0.00 31.29 31.72 2cek h VAL 431 CO 0.95 0.00 0.38 0.26 -1.23 0.00 0.00 177.57 177.93 2cek s TRP 432 N -3.29 3.11 0.83 5.19 0.52 -1.26 -5.00 118.94 119.04 2cek s TRP 432 Ca 0.02 1.48 -0.13 0.00 0.02 0.00 0.00 56.10 57.49 2cek s TRP 432 Cb 0.11 -2.94 0.07 0.00 -1.15 0.00 0.00 33.47 29.56 2cek s TRP 432 CO 0.77 -0.98 1.03 -0.35 0.02 0.00 0.00 176.95 177.43 2cek n PRO 433 N -2.14 0.06 -0.31 4.98 -0.04 -1.26 -4.92 135.00 131.37 2cek n PRO 433 Ca 0.08 0.09 -0.01 0.00 -0.04 0.00 0.00 63.50 63.62 2cek n PRO 433 Cb 0.53 -2.29 0.16 0.00 -0.04 0.00 0.00 33.50 31.86 2cek n PRO 433 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2cek h GLU 434 N -1.04 1.18 -0.05 0.54 4.57 -1.94 -2.70 114.58 115.15 2cek h GLU 434 Ca -0.45 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 57.66 2cek h GLU 434 Cb 1.30 -0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 29.63 2cek h GLU 434 CO 0.44 0.80 0.08 0.11 -1.18 0.00 0.00 179.01 179.25 2cek h TRP 435 N 1.21 0.00 0.00 0.92 5.08 -1.91 -1.05 115.95 120.20 2cek h TRP 435 Ca 0.32 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.29 2cek h TRP 435 Cb -0.11 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.05 2cek h TRP 435 CO 0.00 0.00 0.00 0.52 -1.28 0.00 0.00 178.44 177.68 2cek h MET 436 N 0.00 0.00 0.00 0.12 2.86 -1.84 -3.49 114.93 112.58 2cek h MET 436 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2cek h MET 436 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2cek h MET 436 CO -0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 2cek n GLY 437 N 0.59 3.28 3.42 8.32 0.00 -0.40 -4.11 105.19 116.28 2cek n GLY 437 Ca 0.04 -0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 2cek n GLY 437 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cek s VAL 438 N 0.00 4.75 0.49 1.61 1.01 -1.26 -4.90 120.40 122.10 2cek s VAL 438 Ca 0.00 -1.22 -0.21 0.00 0.00 0.00 0.00 61.98 60.55 2cek s VAL 438 Cb 0.00 -4.65 -0.07 0.00 0.00 0.00 0.00 36.38 31.66 2cek s VAL 438 CO 0.00 -1.34 1.13 -0.63 0.00 0.00 0.00 175.10 174.26 2cek s ILE 439 N 2.76 3.23 -0.07 2.22 1.01 -1.26 -1.39 121.20 127.70 2cek s ILE 439 Ca 0.23 0.84 -0.34 0.00 0.00 0.00 0.00 60.65 61.38 2cek s ILE 439 Cb -0.14 -3.38 -0.11 0.00 0.01 0.00 0.00 42.46 38.84 2cek s ILE 439 CO -0.00 -0.09 1.89 1.57 0.00 0.00 0.00 174.94 178.30 2cek n HIS 440 N -0.86 2.35 -0.01 3.97 -0.00 -1.25 -0.89 115.22 118.53 2cek n HIS 440 Ca 0.09 -0.04 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 2cek n HIS 440 Cb 0.50 -2.68 0.00 0.00 -0.00 0.00 0.00 29.99 27.81 2cek n HIS 440 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2cek n GLY 441 N 4.41 0.90 0.86 1.57 0.00 -1.26 -4.95 105.19 106.72 2cek n GLY 441 Ca 0.22 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.27 2cek n GLY 441 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2cek n TYR 442 N -2.00 0.64 0.03 1.61 4.02 -0.07 -2.65 117.16 118.74 2cek n TYR 442 Ca 0.00 -0.24 0.11 0.00 -0.01 0.00 0.00 57.90 57.76 2cek n TYR 442 Cb 0.00 -0.18 -0.17 0.00 -0.02 0.00 0.00 39.34 38.98 2cek n TYR 442 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2cek n GLU 443 N 0.24 0.63 -0.06 -0.72 0.00 -1.26 -4.45 120.64 115.02 2cek n GLU 443 Ca 0.10 -0.19 -0.07 0.00 0.00 0.00 0.00 57.16 56.99 2cek n GLU 443 Cb 0.49 -1.52 -0.01 0.00 0.00 0.00 0.00 31.44 30.39 2cek n GLU 443 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2cek h ILE 444 N 0.00 0.70 -0.34 3.84 2.04 -1.90 -1.39 117.51 120.45 2cek h ILE 444 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 2cek h ILE 444 Cb 0.98 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 2cek h ILE 444 CO 0.00 0.00 0.30 1.05 0.00 0.00 0.00 178.15 179.50 2cek h GLU 445 N -0.03 0.00 0.10 2.37 4.11 -1.78 0.68 114.58 120.03 2cek h GLU 445 Ca 0.13 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.28 2cek h GLU 445 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2cek h GLU 445 CO -0.28 0.00 -1.32 0.74 0.07 0.00 0.00 179.01 178.21 2cek h PHE 446 N 0.00 0.40 -0.24 2.06 -1.00 -1.55 -0.75 116.94 115.85 2cek h PHE 446 Ca 0.16 -0.29 -0.10 0.00 2.81 0.00 0.00 57.97 60.55 2cek h PHE 446 Cb 0.77 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.30 2cek h PHE 446 CO 0.00 1.27 -0.28 0.28 -1.61 0.00 0.00 178.31 177.96 2cek h VAL 447 N 0.06 1.27 -0.26 -0.55 2.07 -0.11 -2.68 116.25 116.05 2cek h VAL 447 Ca -0.16 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.03 2cek h VAL 447 Cb 1.96 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 2cek h VAL 447 CO 0.18 0.42 0.00 0.49 0.02 0.00 0.00 177.57 178.67 2cek n PHE 448 N -4.10 0.34 -2.08 1.57 3.01 -0.11 -4.66 117.46 111.43 2cek n PHE 448 Ca -0.01 -0.17 -0.13 0.00 1.01 0.00 0.00 57.45 58.16 2cek n PHE 448 Cb 0.43 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.88 2cek n PHE 448 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2cek n GLY 449 N 1.18 0.13 0.27 1.37 0.00 -1.01 -4.18 105.19 102.96 2cek n GLY 449 Ca 0.16 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.83 2cek n GLY 449 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2cek h LEU 450 N 0.00 0.37 -2.31 0.99 -0.00 -1.42 -2.49 115.31 110.45 2cek h LEU 450 Ca -0.29 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 2cek h LEU 450 Cb 1.15 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.71 2cek h LEU 450 CO 0.36 0.40 0.07 -0.65 -0.00 0.00 0.00 178.44 178.62 2cek h PRO 451 N 0.40 0.00 0.00 1.13 0.11 -1.90 -0.36 132.00 131.39 2cek h PRO 451 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2cek h PRO 451 Cb 0.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.30 2cek h PRO 451 CO -0.00 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.07 2cek n LEU 452 N -2.78 0.46 -4.45 2.35 4.32 -0.94 -4.55 117.00 111.41 2cek n LEU 452 Ca -0.02 0.59 -0.44 0.00 -0.02 0.00 0.00 56.01 56.12 2cek n LEU 452 Cb 0.13 -0.50 -0.06 0.00 -1.62 0.00 0.00 43.42 41.37 2cek n LEU 452 CO 0.15 -0.34 0.42 -0.69 -1.22 0.00 0.00 177.39 175.71 2cek s VAL 453 N -3.16 4.78 0.28 4.08 1.01 -0.15 -4.95 120.40 122.29 2cek s VAL 453 Ca 0.07 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.66 2cek s VAL 453 Cb 0.11 -4.36 0.31 0.00 0.00 0.00 0.00 36.38 32.44 2cek s VAL 453 CO 0.42 -0.90 1.64 0.11 0.00 0.00 0.00 175.10 176.37 2cek h LYS 454 N 9.07 0.17 -0.52 2.72 1.79 -1.86 -0.39 116.57 127.55 2cek h LYS 454 Ca -0.27 -0.01 0.15 0.00 -2.18 0.00 0.00 60.65 58.34 2cek h LYS 454 Cb 1.09 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.68 2cek h LYS 454 CO 1.00 0.11 0.38 0.93 -1.08 0.00 0.00 179.45 180.79 2cek h GLU 455 N 0.17 0.00 0.00 3.15 3.07 -1.95 0.41 114.58 119.43 2cek h GLU 455 Ca 0.53 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 2cek h GLU 455 Cb 1.06 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 2cek h GLU 455 CO -0.68 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.21 2cek n LEU 456 N -4.38 0.00 -3.15 1.33 7.99 -0.16 -4.96 117.00 113.68 2cek n LEU 456 Ca 0.10 0.05 -0.28 0.00 -0.01 0.00 0.00 56.01 55.86 2cek n LEU 456 Cb 0.60 -0.05 0.02 0.00 -0.11 0.00 0.00 43.42 43.88 2cek n LEU 456 CO 0.37 -0.00 -0.22 -0.46 -1.51 0.00 0.00 177.39 175.57 2cek n ASN 457 N -1.05 -4.17 -4.95 -1.43 0.23 0.14 -4.97 115.26 99.06 2cek n ASN 457 Ca 0.20 -0.32 -0.23 0.00 -0.53 0.00 0.00 54.58 53.70 2cek n ASN 457 Cb 0.12 -1.26 0.02 0.00 -2.08 0.00 0.00 39.78 36.58 2cek n ASN 457 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 2cek s TYR 458 N -1.60 1.61 0.56 -2.53 2.02 -1.26 -4.67 117.35 111.47 2cek s TYR 458 Ca 0.22 -0.78 -0.01 0.00 -0.37 0.00 0.00 57.07 56.13 2cek s TYR 458 Cb -0.02 -2.04 0.02 0.00 -0.40 0.00 0.00 41.96 39.52 2cek s TYR 458 CO 0.70 -0.71 0.81 0.95 -1.57 0.00 0.00 175.55 175.72 2cek s THR 459 N -2.71 3.10 0.31 -0.71 -4.23 -1.26 -4.94 115.64 105.19 2cek s THR 459 Ca 0.45 -0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 2cek s THR 459 Cb -0.04 -3.19 0.20 0.00 1.34 0.00 0.00 72.50 70.81 2cek s THR 459 CO 0.28 -0.16 1.90 0.00 -0.54 0.00 0.00 174.62 176.10 2cek h ALA 460 N 0.01 1.34 -0.84 3.99 0.00 -1.99 -1.20 119.26 120.57 2cek h ALA 460 Ca -0.44 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 2cek h ALA 460 Cb 1.28 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2cek h ALA 460 CO 0.56 0.50 0.41 0.93 0.00 0.00 0.00 179.25 181.65 2cek h GLU 461 N 0.83 1.20 -0.09 0.00 3.07 -1.98 -1.01 114.58 116.61 2cek h GLU 461 Ca 0.20 -0.17 -0.12 0.00 -0.50 0.00 0.00 59.36 58.77 2cek h GLU 461 Cb 0.14 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 2cek h GLU 461 CO -0.02 0.92 -0.50 0.93 -1.40 0.00 0.00 179.01 178.93 2cek h GLU 462 N 1.19 0.23 -0.47 2.33 5.08 -1.72 -0.45 114.58 120.78 2cek h GLU 462 Ca 0.29 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.41 2cek h GLU 462 Cb 0.10 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2cek h GLU 462 CO -0.04 0.68 -0.14 1.49 -1.00 0.00 0.00 179.01 180.01 2cek h GLU 463 N 0.19 0.92 -0.72 2.33 4.81 -0.69 -0.98 114.58 120.43 2cek h GLU 463 Ca 0.01 -0.37 -0.05 0.00 -0.13 0.00 0.00 59.36 58.83 2cek h GLU 463 Cb 0.95 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.25 2cek h GLU 463 CO 0.08 1.02 0.27 0.00 -0.73 0.00 0.00 179.01 179.65 2cek h ALA 464 N 0.87 0.94 -0.28 2.92 0.00 -0.89 -1.46 119.26 121.37 2cek h ALA 464 Ca 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2cek h ALA 464 Cb 0.70 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2cek h ALA 464 CO 0.05 0.58 0.14 1.25 0.00 0.00 0.00 179.25 181.27 2cek h LEU 465 N 1.04 0.36 -0.34 0.00 5.85 -0.82 -1.32 115.31 120.08 2cek h LEU 465 Ca 0.24 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.87 2cek h LEU 465 Cb 0.24 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 2cek h LEU 465 CO -0.02 0.37 0.17 -1.28 -0.34 0.00 0.00 178.44 177.35 2cek h SER 466 N 0.32 0.26 -0.85 1.25 0.87 -0.93 0.14 113.55 114.61 2cek h SER 466 Ca 0.10 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2cek h SER 466 Cb 0.11 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 61.99 2cek h SER 466 CO -0.01 0.19 0.56 0.03 -0.53 0.00 0.00 176.83 177.06 2cek h ARG 467 N 0.36 1.12 -0.53 2.24 3.08 -1.10 0.30 114.38 119.85 2cek h ARG 467 Ca 0.14 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 2cek h ARG 467 Cb 0.05 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 2cek h ARG 467 CO -0.10 0.75 0.04 -0.09 -1.07 0.00 0.00 179.97 179.50 2cek h ARG 468 N 1.15 0.90 -0.33 0.04 2.43 -0.65 -0.25 114.38 117.67 2cek h ARG 468 Ca 0.31 -0.27 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 2cek h ARG 468 Cb -0.12 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 2cek h ARG 468 CO -0.07 0.91 -0.09 0.82 -1.51 0.00 0.00 179.97 180.03 2cek h ILE 469 N 0.78 1.28 -0.78 1.20 2.04 -0.22 -1.07 117.51 120.74 2cek h ILE 469 Ca 0.15 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.83 2cek h ILE 469 Cb 0.47 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 2cek h ILE 469 CO 0.02 0.38 0.39 0.24 0.00 0.00 0.00 178.15 179.17 2cek h MET 470 N 0.43 1.10 -0.09 2.37 2.86 -0.29 -0.60 114.93 120.71 2cek h MET 470 Ca 0.08 -0.15 -0.15 0.00 -2.06 0.00 0.00 59.70 57.43 2cek h MET 470 Cb 0.60 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 2cek h MET 470 CO 0.04 0.83 -0.59 1.25 1.06 0.00 0.00 176.91 179.50 2cek h HIS 471 N 1.10 0.38 0.05 -0.22 -0.00 -0.91 -1.34 115.15 114.21 2cek h HIS 471 Ca 0.27 -0.14 -0.00 0.00 -0.00 0.00 0.00 60.37 60.50 2cek h HIS 471 Cb 0.09 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.43 2cek h HIS 471 CO 0.01 0.81 -0.03 1.88 -0.00 0.00 0.00 177.93 180.61 2cek h TYR 472 N 0.22 -0.06 -0.27 5.26 0.05 -0.59 -0.05 116.97 121.53 2cek h TYR 472 Ca -0.00 -0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.79 2cek h TYR 472 Cb 1.09 0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.83 2cek h TYR 472 CO 0.03 0.17 0.14 -1.49 -1.05 0.00 0.00 178.16 175.95 2cek h TRP 473 N -0.29 0.26 -0.25 4.88 -0.00 -1.08 -0.27 115.95 119.19 2cek h TRP 473 Ca -0.01 0.01 -0.15 0.00 -0.00 0.00 0.00 58.89 58.74 2cek h TRP 473 Cb 0.26 -0.08 -0.01 0.00 -0.00 0.00 0.00 29.16 29.34 2cek h TRP 473 CO 0.00 0.15 -0.46 0.00 -0.00 0.00 0.00 178.44 178.12 2cek h ALA 474 N 1.14 0.72 -0.41 1.49 0.00 -1.24 -0.58 119.26 120.38 2cek h ALA 474 Ca 0.11 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 2cek h ALA 474 Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2cek h ALA 474 CO -0.07 0.67 -0.25 1.15 0.00 0.00 0.00 179.25 180.74 2cek h THR 475 N 0.52 1.27 -0.37 0.00 2.02 -0.88 -0.44 112.91 115.04 2cek h THR 475 Ca 0.03 -1.40 -0.05 0.00 0.77 0.00 0.00 66.41 65.77 2cek h THR 475 Cb 1.00 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 2cek h THR 475 CO 0.09 0.47 0.05 0.15 0.37 0.00 0.00 175.52 176.65 2cek h PHE 476 N 0.73 0.67 -0.78 3.16 3.57 -0.90 0.54 116.94 123.92 2cek h PHE 476 Ca 0.09 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2cek h PHE 476 Cb 0.79 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 2cek h PHE 476 CO 0.04 0.68 0.52 0.00 -2.23 0.00 0.00 178.31 177.32 2cek h ALA 477 N 0.90 1.45 0.07 2.41 0.00 -0.84 0.98 119.26 124.23 2cek h ALA 477 Ca 0.11 -0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.69 2cek h ALA 477 Cb 0.38 -0.31 0.02 0.00 0.00 0.00 0.00 17.79 17.88 2cek h ALA 477 CO 0.01 0.51 -1.15 -0.22 0.00 0.00 0.00 179.25 178.40 2cek h LYS 478 N 1.06 0.60 0.00 0.00 3.64 -0.81 -3.42 116.57 117.64 2cek h LYS 478 Ca 0.29 -0.74 -0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2cek h LYS 478 Cb -0.11 0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2cek h LYS 478 CO -0.06 1.32 -1.03 0.25 -2.27 0.00 0.00 179.45 177.66 2cek n THR 479 N -3.79 0.01 -0.23 1.00 -2.24 0.16 -5.01 114.28 104.19 2cek n THR 479 Ca -0.12 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2cek n THR 479 Cb 0.94 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 2cek n THR 479 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cek n GLY 480 N 2.57 0.88 3.05 3.38 0.00 0.34 -5.03 105.19 110.37 2cek n GLY 480 Ca -0.00 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 2cek n GLY 480 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2cek s ASN 481 N -2.07 0.24 0.42 1.61 3.04 -1.25 -4.92 114.94 112.02 2cek s ASN 481 Ca 0.00 0.65 0.29 0.00 0.04 0.00 0.00 52.86 53.85 2cek s ASN 481 Cb 0.00 0.79 1.28 0.00 -1.54 0.00 0.00 41.25 41.77 2cek s ASN 481 CO 0.00 -0.24 1.88 1.55 -3.04 0.00 0.00 177.10 177.25 2cek h PRO 482 N 8.23 0.00 -6.56 0.43 0.13 -1.81 -3.12 132.00 129.29 2cek h PRO 482 Ca -0.15 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.46 2cek h PRO 482 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 2cek h PRO 482 CO 0.14 0.00 0.32 -0.80 -0.23 0.00 0.00 178.00 177.43 2cek s ASN 483 N -4.92 7.48 -0.12 1.44 0.01 -1.26 -4.48 114.94 113.09 2cek s ASN 483 Ca 0.02 1.77 -0.29 0.00 -0.71 0.00 0.00 52.86 53.64 2cek s ASN 483 Cb 0.09 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 39.16 2cek s ASN 483 CO 0.45 0.00 1.27 -0.70 -1.51 0.00 0.00 177.10 176.60 2cek s GLU 484 N -0.29 4.27 0.25 -0.60 2.56 -1.26 -4.96 118.70 118.66 2cek s GLU 484 Ca 0.44 1.70 -0.31 0.00 0.00 0.00 0.00 54.97 56.80 2cek s GLU 484 Cb -0.23 -3.71 -0.13 0.00 2.00 0.00 0.00 34.13 32.06 2cek s GLU 484 CO 0.29 -0.63 1.47 -2.30 -0.56 0.00 0.00 175.26 173.53 2cek n PRO 485 N 6.17 2.23 -2.87 4.30 -0.02 -1.26 -1.96 135.00 141.59 2cek n PRO 485 Ca 0.13 0.79 -0.22 0.00 -2.02 0.00 0.00 63.50 62.18 2cek n PRO 485 Cb 0.45 -2.49 0.03 0.00 -0.02 0.00 0.00 33.50 31.47 2cek n PRO 485 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2cek n HIS 486 N 2.03 -1.74 -2.43 6.00 8.25 -1.26 -4.98 115.22 121.08 2cek n HIS 486 Ca 0.11 0.40 -0.27 0.00 -0.26 0.00 0.00 57.72 57.70 2cek n HIS 486 Cb 0.33 -4.40 0.02 0.00 1.12 0.00 0.00 29.99 27.06 2cek n HIS 486 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2cek s SER 487 N -2.55 5.89 0.00 0.41 0.15 -0.83 -4.98 113.70 111.79 2cek s SER 487 Ca 0.23 0.86 0.23 0.00 0.70 0.00 0.00 55.95 57.97 2cek s SER 487 Cb -0.10 -1.98 0.07 0.00 -1.71 0.00 0.00 66.02 62.30 2cek s SER 487 CO 0.29 -0.87 1.15 0.00 1.20 0.00 0.00 173.24 175.00 2cek n GLN 488 N -2.48 1.67 -1.89 5.44 1.13 -1.26 -4.97 117.38 115.01 2cek n GLN 488 Ca 0.03 -1.37 -0.31 0.00 -1.94 0.00 0.00 57.00 53.42 2cek n GLN 488 Cb 0.56 -1.46 0.02 0.00 0.11 0.00 0.00 30.24 29.48 2cek n GLN 488 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2cek s GLU 489 N -2.25 3.32 0.36 -1.09 0.41 -1.26 -5.01 118.70 113.18 2cek s GLU 489 Ca 0.22 0.63 -0.28 0.00 -0.41 0.00 0.00 54.97 55.12 2cek s GLU 489 Cb 0.19 -2.07 -0.11 0.00 -1.78 0.00 0.00 34.13 30.36 2cek s GLU 489 CO 0.45 -0.74 1.45 -1.12 -0.49 0.00 0.00 175.26 174.82 2cek s SER 490 N -4.25 6.45 -0.17 -0.19 0.01 -1.26 -4.96 113.70 109.33 2cek s SER 490 Ca 0.56 2.96 -0.18 0.00 1.31 0.00 0.00 55.95 60.60 2cek s SER 490 Cb -0.11 -2.66 -0.04 0.00 0.21 0.00 0.00 66.02 63.42 2cek s SER 490 CO 0.53 -0.80 0.49 -0.54 0.41 0.00 0.00 173.24 173.33 2cek s LYS 491 N -1.87 4.25 -0.41 12.44 -0.14 -1.26 -5.02 119.74 127.73 2cek s LYS 491 Ca 0.53 0.41 -0.29 0.00 -1.36 0.00 0.00 55.97 55.26 2cek s LYS 491 Cb -0.45 -3.51 0.01 0.00 -1.68 0.00 0.00 37.83 32.20 2cek s LYS 491 CO 0.59 -0.02 1.43 -0.46 -0.76 0.00 0.00 175.35 176.14 2cek s TRP 492 N 1.20 2.37 0.44 3.18 -0.11 -1.26 -4.98 118.94 119.78 2cek s TRP 492 Ca 0.24 0.67 -0.23 0.00 1.22 0.00 0.00 56.10 58.00 2cek s TRP 492 Cb -0.15 -4.31 -0.08 0.00 -1.50 0.00 0.00 33.47 27.43 2cek s TRP 492 CO 0.10 -2.03 1.09 -1.25 -4.62 0.00 0.00 176.95 170.24 2cek s PRO 493 N 4.99 3.93 0.67 5.86 0.04 -1.26 -4.84 135.00 144.39 2cek s PRO 493 Ca 0.62 1.59 -0.17 0.00 0.04 0.00 0.00 61.00 63.08 2cek s PRO 493 Cb -0.14 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.00 2cek s PRO 493 CO 0.33 -0.36 1.24 -0.51 0.04 0.00 0.00 177.00 177.74 2cek s LEU 494 N -2.95 3.49 -0.18 -3.56 1.43 -1.26 -4.69 118.68 110.95 2cek s LEU 494 Ca 0.62 2.48 -0.13 0.00 -1.03 0.00 0.00 54.13 56.07 2cek s LEU 494 Cb -0.24 -4.60 -0.05 0.00 0.03 0.00 0.00 46.19 41.33 2cek s LEU 494 CO 0.29 -2.03 0.27 0.12 0.23 0.00 0.00 176.35 175.22 2cek s PHE 495 N -1.66 3.42 0.16 0.29 2.19 0.14 -4.47 117.98 118.05 2cek s PHE 495 Ca 0.79 0.51 0.10 0.00 0.33 0.00 0.00 56.93 58.65 2cek s PHE 495 Cb -0.33 -2.33 -0.04 0.00 -1.31 0.00 0.00 43.02 39.01 2cek s PHE 495 CO 0.41 0.19 -0.21 0.95 1.83 0.00 0.00 175.22 178.38 2cek s THR 496 N 0.66 2.00 0.53 0.12 -4.23 -1.26 -4.30 115.64 109.16 2cek s THR 496 Ca 0.14 -1.86 0.20 0.00 -1.18 0.00 0.00 61.69 58.99 2cek s THR 496 Cb -0.13 -1.89 0.32 0.00 1.34 0.00 0.00 72.50 72.14 2cek s THR 496 CO 0.04 -0.17 2.10 0.71 -0.54 0.00 0.00 174.62 176.76 2cek h THR 497 N 3.46 0.86 0.10 3.99 1.35 -1.94 0.37 112.91 121.09 2cek h THR 497 Ca -0.45 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2cek h THR 497 Cb 1.20 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2cek h THR 497 CO 0.47 0.00 -0.05 0.50 -0.25 0.00 0.00 175.52 176.19 2cek h LYS 498 N 0.00 -0.13 0.08 4.72 3.11 -2.01 -3.40 116.57 118.95 2cek h LYS 498 Ca 0.09 0.01 -0.27 0.00 -2.81 0.00 0.00 60.65 57.66 2cek h LYS 498 Cb 0.36 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.60 2cek h LYS 498 CO -0.00 -0.05 -1.34 0.93 -2.81 0.00 0.00 179.45 176.18 2cek h GLU 499 N -1.03 0.17 -6.20 1.90 4.39 -1.95 -3.48 114.58 108.37 2cek h GLU 499 Ca -0.01 -0.29 -0.45 0.00 0.34 0.00 0.00 59.36 58.95 2cek h GLU 499 Cb 0.14 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2cek h GLU 499 CO 0.02 1.05 -0.77 1.04 -1.16 0.00 0.00 179.01 179.19 2cek n GLN 500 N -3.41 -5.60 -2.55 2.33 6.02 0.13 -4.41 117.38 109.89 2cek n GLN 500 Ca -0.10 0.63 -0.33 0.00 -0.01 0.00 0.00 57.00 57.18 2cek n GLN 500 Cb 1.01 -5.45 -0.04 0.00 1.02 0.00 0.00 30.24 26.78 2cek n GLN 500 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2cek s LYS 501 N -6.42 3.95 0.25 -1.09 1.02 -1.26 -1.78 119.74 114.41 2cek s LYS 501 Ca 0.48 1.14 -0.14 0.00 0.02 0.00 0.00 55.97 57.47 2cek s LYS 501 Cb -0.24 -2.13 -0.00 0.00 -0.52 0.00 0.00 37.83 34.94 2cek s LYS 501 CO 0.82 -0.28 0.51 -0.59 -0.92 0.00 0.00 175.35 174.89 2cek s PHE 502 N -2.29 0.27 0.23 3.18 -0.71 -0.57 -4.31 117.98 113.78 2cek s PHE 502 Ca 0.63 -0.65 0.09 0.00 -1.04 0.00 0.00 56.93 55.96 2cek s PHE 502 Cb -0.12 0.27 -0.05 0.00 -1.21 0.00 0.00 43.02 41.91 2cek s PHE 502 CO 0.22 -1.02 -0.15 0.96 -1.34 0.00 0.00 175.22 173.89 2cek s ILE 503 N -4.00 1.91 0.23 -4.49 -4.36 -1.01 -0.88 121.20 108.59 2cek s ILE 503 Ca 0.20 -2.25 -0.08 0.00 -0.26 0.00 0.00 60.65 58.26 2cek s ILE 503 Cb -0.01 -2.15 -0.07 0.00 1.25 0.00 0.00 42.46 41.48 2cek s ILE 503 CO 0.08 -0.52 0.53 -1.81 0.24 0.00 0.00 174.94 173.46 2cek s ASP 504 N -3.38 6.58 -0.31 4.36 1.01 -1.12 -0.69 116.67 123.14 2cek s ASP 504 Ca 0.25 0.85 0.03 0.00 0.71 0.00 0.00 52.55 54.39 2cek s ASP 504 Cb -0.01 -2.20 0.09 0.00 1.01 0.00 0.00 42.92 41.81 2cek s ASP 504 CO 0.09 -0.07 0.02 -0.76 0.21 0.00 0.00 175.17 174.66 2cek s LEU 505 N -2.90 3.87 0.00 1.23 1.43 -0.01 -4.63 118.68 117.68 2cek s LEU 505 Ca 0.46 -1.82 -0.09 0.00 -1.03 0.00 0.00 54.13 51.65 2cek s LEU 505 Cb -0.11 -1.44 0.04 0.00 0.03 0.00 0.00 46.19 44.70 2cek s LEU 505 CO 0.23 -0.33 0.55 -0.46 0.23 0.00 0.00 176.35 176.56 2cek n ASN 506 N 4.43 -1.59 0.00 2.29 0.23 -1.26 -2.92 115.26 116.44 2cek n ASN 506 Ca -0.02 -2.25 0.11 0.00 -0.53 0.00 0.00 54.58 51.89 2cek n ASN 506 Cb 0.42 2.69 0.66 0.00 -2.08 0.00 0.00 39.78 41.47 2cek n ASN 506 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2cek n THR 507 N -0.41 0.06 -3.04 5.53 -2.24 -1.26 -4.81 114.28 108.11 2cek n THR 507 Ca -0.05 0.02 -0.21 0.00 -2.27 0.00 0.00 64.05 61.53 2cek n THR 507 Cb 0.45 -0.65 0.01 0.00 -2.10 0.00 0.00 70.33 68.04 2cek n THR 507 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2cek s GLU 508 N -2.11 2.96 0.19 -0.78 8.01 -1.26 -5.03 118.70 120.68 2cek s GLU 508 Ca 0.32 -0.72 -0.33 0.00 0.01 0.00 0.00 54.97 54.25 2cek s GLU 508 Cb 0.16 -2.62 -0.13 0.00 -4.31 0.00 0.00 34.13 27.23 2cek s GLU 508 CO 0.28 -0.28 1.61 -2.30 0.01 0.00 0.00 175.26 174.58 2cek n PRO 509 N -2.01 2.37 -1.53 0.39 -0.02 -1.26 -4.85 135.00 128.09 2cek n PRO 509 Ca 0.03 0.85 -0.49 0.00 -2.02 0.00 0.00 63.50 61.87 2cek n PRO 509 Cb 0.58 -2.64 -0.04 0.00 -0.02 0.00 0.00 33.50 31.38 2cek n PRO 509 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2cek n MET 510 N 3.38 0.79 -4.45 -0.52 1.56 -1.26 -4.99 117.12 111.64 2cek n MET 510 Ca 0.16 0.28 -0.21 0.00 -0.27 0.00 0.00 57.70 57.66 2cek n MET 510 Cb 0.31 -1.66 -0.15 0.00 2.15 0.00 0.00 33.22 33.87 2cek n MET 510 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 2cek s LYS 511 N -0.62 1.01 -0.17 2.12 1.02 -1.26 -5.04 119.74 116.79 2cek s LYS 511 Ca 0.72 -0.35 -0.10 0.00 0.02 0.00 0.00 55.97 56.25 2cek s LYS 511 Cb -0.90 -0.94 -0.05 0.00 -0.52 0.00 0.00 37.83 35.42 2cek s LYS 511 CO 0.55 0.16 0.16 0.08 -0.92 0.00 0.00 175.35 175.38 2cek s VAL 512 N 0.05 5.41 0.45 3.17 1.01 -1.26 -2.78 120.40 126.45 2cek s VAL 512 Ca -0.01 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.26 2cek s VAL 512 Cb -0.08 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 2cek s VAL 512 CO 0.00 0.49 0.10 1.41 0.00 0.00 0.00 175.10 177.10 2cek n HIS 513 N 3.07 0.49 -3.93 5.22 8.25 -0.06 -4.97 115.22 123.28 2cek n HIS 513 Ca -0.16 -2.64 -0.10 0.00 -0.26 0.00 0.00 57.72 54.56 2cek n HIS 513 Cb 0.53 -0.12 -0.10 0.00 1.12 0.00 0.00 29.99 31.42 2cek n HIS 513 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2cek s GLN 514 N -3.68 0.53 -0.98 -0.41 -0.21 -1.26 -1.51 119.66 112.13 2cek s GLN 514 Ca 0.14 -0.67 -0.12 0.00 0.02 0.00 0.00 55.36 54.74 2cek s GLN 514 Cb 0.01 0.21 -0.01 0.00 1.00 0.00 0.00 33.01 34.22 2cek s GLN 514 CO 0.10 -0.13 0.74 0.54 -2.12 0.00 0.00 175.29 174.42 2cek n ARG 515 N 1.01 -1.32 -1.67 2.91 1.74 -0.73 -4.84 116.66 113.75 2cek n ARG 515 Ca -0.20 0.75 -0.53 0.00 -0.77 0.00 0.00 57.85 57.11 2cek n ARG 515 Cb 0.57 -4.12 -0.06 0.00 -1.02 0.00 0.00 32.46 27.83 2cek n ARG 515 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2cek n LEU 516 N -3.31 2.58 -3.30 0.55 0.00 -1.26 -2.01 117.00 110.25 2cek n LEU 516 Ca -0.12 1.06 -0.20 0.00 0.00 0.00 0.00 56.01 56.75 2cek n LEU 516 Cb 0.59 -1.24 -0.02 0.00 0.00 0.00 0.00 43.42 42.75 2cek n LEU 516 CO 0.63 -0.45 -0.06 -1.14 0.00 0.00 0.00 177.39 176.37 2cek n ARG 517 N 4.83 -2.66 -0.37 1.96 3.00 -1.26 -4.84 116.66 117.32 2cek n ARG 517 Ca 0.23 0.30 -0.01 0.00 -0.00 0.00 0.00 57.85 58.36 2cek n ARG 517 Cb 0.20 -4.92 0.12 0.00 0.00 0.00 0.00 32.46 27.87 2cek n ARG 517 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.63 177.39 2cek h VAL 518 N -0.62 1.22 0.03 5.15 3.04 -1.76 -1.38 116.25 121.93 2cek h VAL 518 Ca -0.34 -0.45 -0.00 0.00 -1.01 0.00 0.00 66.70 64.90 2cek h VAL 518 Cb 1.23 -0.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.31 2cek h VAL 518 CO 0.45 0.24 -0.02 -0.61 -1.01 0.00 0.00 177.57 176.63 2cek h GLN 519 N 1.31 -0.04 -0.24 4.17 5.75 -1.88 -1.85 115.11 122.33 2cek h GLN 519 Ca 0.38 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.74 2cek h GLN 519 Cb -0.09 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 2cek h GLN 519 CO -0.10 -0.03 -0.42 0.52 -2.65 0.00 0.00 178.83 176.15 2cek h MET 520 N -0.05 0.58 0.00 1.69 2.86 -1.93 -3.16 114.93 114.93 2cek h MET 520 Ca -0.00 -0.31 -0.05 0.00 -2.06 0.00 0.00 59.70 57.28 2cek h MET 520 Cb 0.04 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2cek h MET 520 CO 0.01 0.90 -0.26 0.00 1.06 0.00 0.00 176.91 178.62 2cek h VAL 522 N 0.00 1.32 0.12 0.00 2.07 -1.30 0.41 116.25 118.86 2cek h VAL 522 Ca -0.00 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 65.96 2cek h VAL 522 Cb 0.77 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2cek h VAL 522 CO 0.03 0.46 -0.06 0.15 0.02 0.00 0.00 177.57 178.18 2cek h PHE 523 N 0.19 -0.15 -0.16 1.57 3.57 -1.38 -0.76 116.94 119.82 2cek h PHE 523 Ca 0.02 -0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.35 2cek h PHE 523 Cb 0.83 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 2cek h PHE 523 CO 0.01 0.22 -0.58 -1.49 -2.23 0.00 0.00 178.31 174.24 2cek h TRP 524 N -0.55 0.65 0.00 0.41 4.06 -1.20 0.13 115.95 119.45 2cek h TRP 524 Ca -0.02 -0.24 -0.17 0.00 2.06 0.00 0.00 58.89 60.52 2cek h TRP 524 Cb 0.44 -0.12 -0.03 0.00 -1.00 0.00 0.00 29.16 28.45 2cek h TRP 524 CO 0.05 0.97 -1.36 -0.91 -3.56 0.00 0.00 178.44 173.63 2cek h ASN 525 N 0.39 0.00 0.00 -3.49 -0.26 -0.27 -3.40 115.58 108.55 2cek h ASN 525 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2cek h ASN 525 Cb 1.13 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.39 2cek h ASN 525 CO 0.11 0.59 -0.19 0.00 -1.06 0.00 0.00 177.43 176.87 2cek n GLN 526 N -2.92 0.10 0.38 0.81 3.00 -0.36 -4.82 117.38 113.57 2cek n GLN 526 Ca -0.09 0.04 -0.15 0.00 -0.01 0.00 0.00 57.00 56.79 2cek n GLN 526 Cb 0.84 -0.68 -0.07 0.00 0.00 0.00 0.00 30.24 30.33 2cek n GLN 526 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 2cek h PHE 527 N -0.19 -0.91 -0.52 1.08 3.57 -1.26 -3.07 116.94 115.63 2cek h PHE 527 Ca 0.00 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.58 2cek h PHE 527 Cb 0.19 0.30 -0.09 0.00 2.79 0.00 0.00 35.95 39.14 2cek h PHE 527 CO -0.08 -0.57 -0.06 1.25 -2.23 0.00 0.00 178.31 176.62 2cek h LEU 528 N -1.26 -0.35 -0.65 0.59 5.85 -0.99 0.41 115.31 118.92 2cek h LEU 528 Ca -0.10 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.79 2cek h LEU 528 Cb 0.76 0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 2cek h LEU 528 CO 0.17 -0.13 0.40 -0.65 -0.34 0.00 0.00 178.44 177.89 2cek h PRO 529 N 0.06 0.76 -0.70 5.25 0.11 -1.77 0.65 132.00 136.36 2cek h PRO 529 Ca 0.26 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2cek h PRO 529 Cb 0.40 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 2cek h PRO 529 CO -0.49 0.50 0.45 -0.22 -0.21 0.00 0.00 178.00 178.03 2cek h LYS 530 N 0.78 0.93 0.03 1.05 3.64 -1.22 0.11 116.57 121.89 2cek h LYS 530 Ca 0.26 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2cek h LYS 530 Cb 0.03 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 2cek h LYS 530 CO -0.11 0.63 -0.01 1.25 -2.27 0.00 0.00 179.45 178.94 2cek h LEU 531 N 0.95 -0.03 -1.41 5.20 6.46 -0.01 -0.78 115.31 125.69 2cek h LEU 531 Ca 0.25 -0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.93 2cek h LEU 531 Cb -0.08 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 2cek h LEU 531 CO -0.05 0.00 -0.22 -0.07 -0.62 0.00 0.00 178.44 177.48 2cek h LEU 532 N -0.07 0.11 -0.16 2.25 3.38 -0.63 -0.73 115.31 119.45 2cek h LEU 532 Ca -0.00 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2cek h LEU 532 Cb 0.06 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2cek h LEU 532 CO 0.01 0.34 -0.12 -1.13 0.09 0.00 0.00 178.44 177.62 2cek h ASN 533 N 0.10 0.38 -0.03 -0.43 -0.00 -0.40 -3.32 115.58 111.89 2cek h ASN 533 Ca 0.02 -0.45 -0.02 0.00 -0.00 0.00 0.00 56.30 55.85 2cek h ASN 533 Cb 0.45 -0.11 -0.00 0.00 -0.00 0.00 0.00 38.32 38.67 2cek h ASN 533 CO 0.03 0.75 -0.04 0.00 -0.00 0.00 0.00 177.43 178.17 2cek h ALA 534 N 0.64 0.04 -0.01 1.57 0.00 -0.95 -3.51 119.26 117.05 2cek h ALA 534 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2cek h ALA 534 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2cek h ALA 534 CO 0.03 -0.16 0.00 0.25 0.00 0.00 0.00 179.25 179.38