#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1keg s VAL 2 N 0.00 3.72 -0.15 2.12 1.01 -1.26 -4.95 120.40 120.89 1keg s VAL 2 Ca 0.00 1.13 -0.05 0.00 0.00 0.00 0.00 61.98 63.05 1keg s VAL 2 Cb 0.00 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1keg s VAL 2 CO 0.00 0.01 0.03 -0.76 0.00 0.00 0.00 175.10 174.39 1keg s LEU 3 N 2.18 3.69 -0.31 3.92 1.43 -1.26 -4.91 118.68 123.41 1keg s LEU 3 Ca 0.63 0.08 -0.06 0.00 -1.03 0.00 0.00 54.13 53.75 1keg s LEU 3 Cb -0.31 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.03 1keg s LEU 3 CO 0.27 0.23 0.08 -0.04 0.23 0.00 0.00 176.35 177.12 1keg s MET 4 N 0.01 2.83 -0.22 1.70 -1.94 -1.26 0.11 119.30 120.53 1keg s MET 4 Ca 0.04 -1.03 -0.07 0.00 -1.71 0.00 0.00 55.69 52.92 1keg s MET 4 Cb -0.12 -3.39 -0.03 0.00 2.01 0.00 0.00 34.83 33.29 1keg s MET 4 CO 0.01 -0.55 0.07 0.99 -0.01 0.00 0.00 175.02 175.53 1keg s THR 5 N 1.44 4.55 -0.10 2.05 2.01 0.40 -4.11 115.64 121.88 1keg s THR 5 Ca 0.00 -0.10 -0.00 0.00 0.31 0.00 0.00 61.69 61.90 1keg s THR 5 Cb -0.18 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.21 1keg s THR 5 CO 0.02 0.39 -0.07 -1.10 -0.69 0.00 0.00 174.62 173.16 1keg s GLN 6 N 1.09 3.06 -0.01 4.92 -0.21 -1.26 -0.29 119.66 126.95 1keg s GLN 6 Ca 0.04 -0.57 -0.00 0.00 0.02 0.00 0.00 55.36 54.85 1keg s GLN 6 Cb -0.14 -2.67 0.01 0.00 1.00 0.00 0.00 33.01 31.21 1keg s GLN 6 CO 0.03 0.50 0.02 0.95 -2.12 0.00 0.00 175.29 174.67 1keg s THR 7 N -0.35 -0.02 0.85 -0.19 -4.23 -0.61 -4.45 115.64 106.63 1keg s THR 7 Ca 0.05 0.06 -0.10 0.00 -1.18 0.00 0.00 61.69 60.52 1keg s THR 7 Cb -0.12 -0.05 0.15 0.00 1.34 0.00 0.00 72.50 73.82 1keg s THR 7 CO 0.02 0.03 1.17 -2.16 -0.54 0.00 0.00 174.62 173.14 1keg s PRO 8 N 0.31 1.24 0.06 3.99 0.04 -1.26 -0.66 135.00 138.72 1keg s PRO 8 Ca -0.03 -0.57 -0.07 0.00 0.04 0.00 0.00 61.00 60.38 1keg s PRO 8 Cb -0.04 -2.04 -0.30 0.00 0.04 0.00 0.00 34.50 32.16 1keg s PRO 8 CO -0.01 -1.92 1.07 -0.07 0.04 0.00 0.00 177.00 176.12 1keg h LEU 9 N -1.13 0.52 -8.13 -3.56 4.07 -1.83 -3.39 115.31 101.85 1keg h LEU 9 Ca -0.42 -0.57 -0.45 0.00 0.08 0.00 0.00 57.88 56.51 1keg h LEU 9 Cb 1.26 -0.17 -0.29 0.00 1.08 0.00 0.00 40.66 42.54 1keg h LEU 9 CO 0.43 1.45 -0.80 -0.55 -1.08 0.00 0.00 178.44 177.90 1keg s SER 10 N -7.23 1.43 -0.31 -0.43 0.15 -1.26 -0.75 113.70 105.29 1keg s SER 10 Ca -0.06 -0.22 -0.02 0.00 0.70 0.00 0.00 55.95 56.35 1keg s SER 10 Cb 0.06 -0.18 0.12 0.00 -1.71 0.00 0.00 66.02 64.31 1keg s SER 10 CO 0.90 0.14 0.18 -0.22 1.20 0.00 0.00 173.24 175.44 1keg s LEU 11 N -0.24 0.60 -0.12 3.45 2.96 0.40 -4.88 118.68 120.84 1keg s LEU 11 Ca 0.04 -1.55 -0.25 0.00 -0.22 0.00 0.00 54.13 52.15 1keg s LEU 11 Cb -0.05 -0.27 -0.02 0.00 0.50 0.00 0.00 46.19 46.34 1keg s LEU 11 CO -0.00 -0.39 0.78 -2.16 -1.32 0.00 0.00 176.35 173.26 1keg s PRO 12 N 1.76 4.36 0.04 0.98 0.04 -1.26 -1.68 135.00 139.25 1keg s PRO 12 Ca 0.12 0.96 -0.07 0.00 0.04 0.00 0.00 61.00 62.06 1keg s PRO 12 Cb -0.18 -3.52 -0.01 0.00 0.04 0.00 0.00 34.50 30.83 1keg s PRO 12 CO -0.23 -0.16 0.13 0.14 0.04 0.00 0.00 177.00 176.92 1keg s VAL 13 N 1.56 0.13 0.51 -0.36 -7.23 -0.30 -4.61 120.40 110.10 1keg s VAL 13 Ca 0.38 -1.07 -0.12 0.00 -1.81 0.00 0.00 61.98 59.37 1keg s VAL 13 Cb -0.17 -0.98 -0.06 0.00 0.56 0.00 0.00 36.38 35.73 1keg s VAL 13 CO 0.15 -0.59 0.91 -0.44 -0.31 0.00 0.00 175.10 174.82 1keg s SER 14 N -2.23 6.44 0.11 4.85 0.01 -1.26 -1.60 113.70 120.02 1keg s SER 14 Ca -0.03 1.31 -0.31 0.00 1.31 0.00 0.00 55.95 58.23 1keg s SER 14 Cb -0.00 -2.41 -0.07 0.00 0.21 0.00 0.00 66.02 63.75 1keg s SER 14 CO -0.05 -0.61 1.32 -0.76 0.41 0.00 0.00 173.24 173.55 1keg s LEU 15 N -4.41 4.38 0.00 2.44 1.43 -1.26 -2.47 118.68 118.79 1keg s LEU 15 Ca 0.54 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 55.89 1keg s LEU 15 Cb -0.10 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.53 1keg s LEU 15 CO 0.39 -0.58 0.00 0.61 0.23 0.00 0.00 176.35 177.01 1keg n GLY 16 N 3.23 1.98 3.54 -3.19 0.00 -0.30 -4.95 105.19 105.50 1keg n GLY 16 Ca 0.10 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 1keg n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1keg s ASP 17 N -0.19 1.38 0.29 1.61 1.01 -1.03 -4.16 116.67 115.58 1keg s ASP 17 Ca 0.00 1.35 -0.02 0.00 0.71 0.00 0.00 52.55 54.59 1keg s ASP 17 Cb 0.00 -2.10 -0.04 0.00 1.01 0.00 0.00 42.92 41.79 1keg s ASP 17 CO 0.00 -3.93 0.51 -1.10 0.21 0.00 0.00 175.17 170.87 1keg s GLN 18 N -4.64 3.55 0.01 8.23 -0.21 -1.26 -0.80 119.66 124.55 1keg s GLN 18 Ca 0.68 -0.19 0.01 0.00 0.02 0.00 0.00 55.36 55.87 1keg s GLN 18 Cb -0.23 -2.70 -0.01 0.00 1.00 0.00 0.00 33.01 31.07 1keg s GLN 18 CO 0.62 0.24 -0.04 0.00 -2.12 0.00 0.00 175.29 173.99 1keg s ALA 19 N -2.11 0.27 -0.10 6.09 0.00 0.78 -4.93 121.76 121.76 1keg s ALA 19 Ca 0.41 -0.36 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 1keg s ALA 19 Cb -0.10 0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.08 1keg s ALA 19 CO 0.32 -0.01 0.21 0.45 0.00 0.00 0.00 175.76 176.73 1keg s SER 20 N -0.71 0.40 0.02 0.00 0.15 -1.26 0.79 113.70 113.09 1keg s SER 20 Ca -0.05 0.46 0.07 0.00 0.70 0.00 0.00 55.95 57.12 1keg s SER 20 Cb -0.05 0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 64.69 1keg s SER 20 CO -0.00 -0.23 -0.18 -0.63 1.20 0.00 0.00 173.24 173.40 1keg s ILE 21 N 2.14 2.75 0.09 6.45 1.01 0.30 -4.83 121.20 129.10 1keg s ILE 21 Ca -0.00 -1.10 0.08 0.00 0.00 0.00 0.00 60.65 59.63 1keg s ILE 21 Cb -0.12 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 1keg s ILE 21 CO -0.07 0.41 -0.17 -0.55 0.00 0.00 0.00 174.94 174.55 1keg s SER 22 N -1.23 3.90 -0.02 3.58 0.15 0.16 -1.14 113.70 119.10 1keg s SER 22 Ca 0.14 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1keg s SER 22 Cb -0.10 -0.59 0.03 0.00 -1.71 0.00 0.00 66.02 63.65 1keg s SER 22 CO 0.04 0.20 0.02 0.00 1.20 0.00 0.00 173.24 174.70 1keg s ARG 24 N 1.11 1.71 0.17 0.00 3.52 0.60 0.19 118.95 126.25 1keg s ARG 24 Ca -0.09 -0.36 -0.22 0.00 -0.13 0.00 0.00 55.73 54.94 1keg s ARG 24 Cb -0.13 -1.60 -0.08 0.00 -1.56 0.00 0.00 34.95 31.58 1keg s ARG 24 CO -0.03 -0.15 0.71 -1.54 -0.81 0.00 0.00 175.30 173.48 1keg s SER 25 N 1.29 7.19 0.31 -2.12 1.04 0.48 -0.46 113.70 121.43 1keg s SER 25 Ca -0.02 1.47 0.22 0.00 0.48 0.00 0.00 55.95 58.10 1keg s SER 25 Cb -0.14 -2.44 1.15 0.00 0.10 0.00 0.00 66.02 64.70 1keg s SER 25 CO -0.04 0.15 1.67 -1.54 0.98 0.00 0.00 173.24 174.46 1keg n SER 26 N 1.25 0.58 -3.56 7.02 3.41 0.12 -4.74 113.62 117.69 1keg n SER 26 Ca -0.05 0.75 -0.09 0.00 -0.26 0.00 0.00 58.87 59.22 1keg n SER 26 Cb 0.50 -0.83 -0.02 0.00 -0.26 0.00 0.00 64.21 63.60 1keg n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1keg s GLN 27 N -3.52 1.26 0.06 4.33 -2.07 -1.26 -4.94 119.66 113.51 1keg s GLN 27 Ca -0.02 -0.55 -0.36 0.00 -1.82 0.00 0.00 55.36 52.61 1keg s GLN 27 Cb 0.07 0.52 -0.15 0.00 -1.09 0.00 0.00 33.01 32.36 1keg s GLN 27 CO 0.22 -0.56 1.51 0.45 -1.32 0.00 0.00 175.29 175.59 1keg n SER 27 N -0.37 2.38 -1.40 12.60 2.88 -1.26 -4.74 113.62 123.71 1keg n SER 27 Ca -0.11 1.09 0.03 0.00 -1.33 0.00 0.00 58.87 58.55 1keg n SER 27 Cb 0.63 -1.28 0.29 0.00 -0.75 0.00 0.00 64.21 63.10 1keg n SER 27 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1keg n ILE 27 N 3.27 2.58 -2.27 2.46 -5.35 -1.03 -4.98 119.36 114.04 1keg n ILE 27 Ca 0.19 -1.84 -0.42 0.00 -0.27 0.00 0.00 62.75 60.41 1keg n ILE 27 Cb 0.23 -0.30 -0.03 0.00 -1.74 0.00 0.00 39.64 37.80 1keg n ILE 27 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1keg s VAL 27 N -2.92 3.60 0.67 7.28 1.01 -1.26 -4.50 120.40 124.28 1keg s VAL 27 Ca 0.48 1.15 -0.11 0.00 0.00 0.00 0.00 61.98 63.50 1keg s VAL 27 Cb 0.39 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 1keg s VAL 27 CO 0.10 0.09 1.05 -2.28 0.00 0.00 0.00 175.10 174.06 1keg s HIS 27 N 1.14 3.34 0.37 5.22 2.46 -0.68 -4.94 115.29 122.21 1keg s HIS 27 Ca 0.62 1.32 0.05 0.00 0.47 0.00 0.00 55.06 57.52 1keg s HIS 27 Cb -0.34 -2.84 0.73 0.00 -0.13 0.00 0.00 32.58 30.01 1keg s HIS 27 CO 0.30 -1.02 2.02 0.77 -2.47 0.00 0.00 174.74 174.34 1keg h SER 27 N -0.56 0.63 0.13 9.88 0.02 -1.95 -0.23 113.55 121.47 1keg h SER 27 Ca -0.44 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1keg h SER 27 Cb 1.21 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1keg h SER 27 CO 0.60 0.45 0.00 -0.46 -1.14 0.00 0.00 176.83 176.27 1keg n ASN 28 N -4.46 0.00 0.00 3.07 0.23 -1.26 -4.86 115.26 107.98 1keg n ASN 28 Ca 0.06 -0.37 0.00 0.00 -0.53 0.00 0.00 54.58 53.74 1keg n ASN 28 Cb 0.08 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 1keg n ASN 28 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1keg n GLY 29 N 0.24 0.83 3.85 4.83 0.00 -0.10 -5.07 105.19 109.77 1keg n GLY 29 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1keg n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1keg s ASN 30 N -2.68 6.76 -0.28 1.61 0.01 -1.26 -4.75 114.94 114.36 1keg s ASN 30 Ca 0.00 0.91 -0.10 0.00 -0.71 0.00 0.00 52.86 52.96 1keg s ASN 30 Cb 0.00 -2.23 -0.04 0.00 0.41 0.00 0.00 41.25 39.39 1keg s ASN 30 CO 0.00 0.27 0.17 -0.89 -1.51 0.00 0.00 177.10 175.14 1keg s THR 31 N -1.19 5.11 -1.14 1.60 2.01 -1.26 -1.68 115.64 119.09 1keg s THR 31 Ca 0.27 0.07 -0.06 0.00 0.31 0.00 0.00 61.69 62.28 1keg s THR 31 Cb -0.16 -3.44 0.27 0.00 0.01 0.00 0.00 72.50 69.18 1keg s THR 31 CO 0.15 0.25 1.53 -1.22 -0.69 0.00 0.00 174.62 174.63 1keg n TYR 32 N 5.04 2.90 -4.48 4.92 4.01 -1.26 -4.16 117.16 124.13 1keg n TYR 32 Ca -0.14 -2.82 -0.34 0.00 -0.16 0.00 0.00 57.90 54.44 1keg n TYR 32 Cb 0.52 -1.51 -0.14 0.00 -0.31 0.00 0.00 39.34 37.90 1keg n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1keg s LEU 33 N -1.82 2.83 0.28 7.72 2.96 -1.26 -0.25 118.68 129.14 1keg s LEU 33 Ca 0.33 -0.32 0.08 0.00 -0.22 0.00 0.00 54.13 54.00 1keg s LEU 33 Cb 0.04 -1.67 -0.06 0.00 0.50 0.00 0.00 46.19 45.00 1keg s LEU 33 CO 0.06 0.12 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.50 1keg s GLU 34 N 0.66 1.57 -0.04 1.98 8.01 -0.11 -0.73 118.70 130.03 1keg s GLU 34 Ca -0.05 -1.77 0.04 0.00 0.01 0.00 0.00 54.97 53.20 1keg s GLU 34 Cb -0.15 -1.30 -0.00 0.00 -4.31 0.00 0.00 34.13 28.36 1keg s GLU 34 CO 0.02 0.11 -0.17 -1.58 0.01 0.00 0.00 175.26 173.66 1keg s TRP 35 N -2.89 1.69 0.03 1.61 0.52 -0.55 -0.12 118.94 119.23 1keg s TRP 35 Ca 0.29 -0.48 0.06 0.00 0.02 0.00 0.00 56.10 55.98 1keg s TRP 35 Cb 0.02 -1.14 -0.02 0.00 -1.15 0.00 0.00 33.47 31.18 1keg s TRP 35 CO 0.12 -0.17 -0.17 0.71 0.02 0.00 0.00 176.95 177.46 1keg s TYR 36 N 0.05 1.49 -0.12 -1.98 2.02 0.18 -1.12 117.35 117.88 1keg s TYR 36 Ca -0.04 -0.35 0.02 0.00 -0.37 0.00 0.00 57.07 56.33 1keg s TYR 36 Cb -0.11 -0.90 -0.01 0.00 -0.40 0.00 0.00 41.96 40.54 1keg s TYR 36 CO 0.02 0.05 -0.18 -1.17 -1.57 0.00 0.00 175.55 172.70 1keg s LEU 37 N -1.02 2.41 -0.27 -1.29 2.96 -0.55 -0.96 118.68 119.96 1keg s LEU 37 Ca 0.05 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.53 1keg s LEU 37 Cb -0.08 -1.52 0.07 0.00 0.50 0.00 0.00 46.19 45.16 1keg s LEU 37 CO 0.01 0.15 -0.07 -1.58 -1.32 0.00 0.00 176.35 173.54 1keg s GLN 38 N 0.42 1.95 0.40 1.98 0.74 0.24 -0.63 119.66 124.76 1keg s GLN 38 Ca -0.13 -1.34 -0.23 0.00 0.05 0.00 0.00 55.36 53.71 1keg s GLN 38 Cb -0.17 -2.85 -0.10 0.00 1.10 0.00 0.00 33.01 30.99 1keg s GLN 38 CO 0.06 -0.64 0.97 0.15 -0.55 0.00 0.00 175.29 175.28 1keg s LYS 39 N 1.15 4.27 0.27 1.67 -0.14 -1.26 -1.56 119.74 124.14 1keg s LYS 39 Ca -0.05 1.26 -0.30 0.00 -1.36 0.00 0.00 55.97 55.52 1keg s LYS 39 Cb -0.20 -2.39 -0.13 0.00 -1.68 0.00 0.00 37.83 33.44 1keg s LYS 39 CO -0.06 -0.01 1.42 -0.35 -0.76 0.00 0.00 175.35 175.60 1keg n PRO 40 N -0.28 2.21 -1.03 -1.68 -0.04 -1.26 -1.55 135.00 131.36 1keg n PRO 40 Ca 0.06 0.78 -0.01 0.00 -0.04 0.00 0.00 63.50 64.29 1keg n PRO 40 Cb 0.52 -2.45 -0.00 0.00 -0.04 0.00 0.00 33.50 31.52 1keg n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1keg n GLY 41 N 1.84 0.44 3.41 0.55 0.00 -1.26 -5.00 105.19 105.17 1keg n GLY 41 Ca 0.09 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 1keg n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1keg s GLN 42 N -0.95 1.50 0.45 1.61 -0.21 -0.60 -5.14 119.66 116.31 1keg s GLN 42 Ca 0.00 -1.75 -0.16 0.00 0.02 0.00 0.00 55.36 53.47 1keg s GLN 42 Cb 0.00 -1.07 -0.08 0.00 1.00 0.00 0.00 33.01 32.86 1keg s GLN 42 CO 0.00 0.03 0.90 -1.12 -2.12 0.00 0.00 175.29 172.98 1keg s SER 43 N -3.41 6.70 0.34 5.90 0.01 -1.26 -4.63 113.70 117.34 1keg s SER 43 Ca 0.29 1.46 -0.29 0.00 1.31 0.00 0.00 55.95 58.73 1keg s SER 43 Cb 0.04 -2.46 -0.11 0.00 0.21 0.00 0.00 66.02 63.70 1keg s SER 43 CO 0.11 -0.44 1.37 -2.84 0.41 0.00 0.00 173.24 171.85 1keg s PRO 44 N -3.67 4.27 -0.06 12.44 0.02 -1.26 -4.60 135.00 142.14 1keg s PRO 44 Ca 0.57 2.34 0.05 0.00 0.02 0.00 0.00 61.00 63.98 1keg s PRO 44 Cb -0.10 -3.04 -0.02 0.00 0.02 0.00 0.00 34.50 31.36 1keg s PRO 44 CO 0.25 -0.31 -0.20 -1.59 -0.33 0.00 0.00 177.00 174.82 1keg s LYS 45 N -1.80 2.58 0.19 5.54 -2.85 0.20 -4.91 119.74 118.68 1keg s LYS 45 Ca 0.51 -0.82 -0.31 0.00 -1.00 0.00 0.00 55.97 54.35 1keg s LYS 45 Cb -0.42 -2.27 -0.10 0.00 -2.06 0.00 0.00 37.83 32.98 1keg s LYS 45 CO 0.56 0.46 1.53 -1.17 0.10 0.00 0.00 175.35 176.82 1keg s LEU 46 N -0.33 4.37 -0.00 2.77 2.96 -1.26 -1.49 118.68 125.70 1keg s LEU 46 Ca 0.02 2.63 -0.05 0.00 -0.22 0.00 0.00 54.13 56.51 1keg s LEU 46 Cb -0.12 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.94 1keg s LEU 46 CO 0.02 -0.79 -0.10 0.18 -1.32 0.00 0.00 176.35 174.34 1keg n LEU 47 N 3.45 1.17 -4.19 -0.68 4.32 -0.27 -4.80 117.00 116.00 1keg n LEU 47 Ca 0.12 0.17 -0.24 0.00 -0.02 0.00 0.00 56.01 56.04 1keg n LEU 47 Cb 0.39 -0.43 -0.15 0.00 -1.62 0.00 0.00 43.42 41.61 1keg n LEU 47 CO 0.61 -0.57 -0.50 -0.63 -1.22 0.00 0.00 177.39 175.08 1keg s ILE 48 N -2.10 1.42 0.08 -0.08 1.09 -1.18 -0.97 121.20 119.47 1keg s ILE 48 Ca -0.09 -0.94 0.05 0.00 -1.10 0.00 0.00 60.65 58.58 1keg s ILE 48 Cb 0.01 -1.22 -0.03 0.00 -1.06 0.00 0.00 42.46 40.16 1keg s ILE 48 CO 0.13 0.26 -0.13 -0.72 -0.10 0.00 0.00 174.94 174.38 1keg s TYR 49 N -0.61 1.20 -1.28 3.97 1.13 0.20 -1.48 117.35 120.47 1keg s TYR 49 Ca 0.06 -0.52 -0.02 0.00 -1.41 0.00 0.00 57.07 55.18 1keg s TYR 49 Cb -0.08 -0.66 -0.00 0.00 -1.10 0.00 0.00 41.96 40.12 1keg s TYR 49 CO 0.00 0.06 0.70 1.63 -2.51 0.00 0.00 175.55 175.43 1keg n LYS 50 N 1.01 -4.26 0.00 -3.49 5.02 -0.99 -1.03 118.16 114.42 1keg n LYS 50 Ca -0.19 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1keg n LYS 50 Cb 0.55 -5.06 0.00 0.00 -0.02 0.00 0.00 35.03 30.51 1keg n LYS 50 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1keg n VAL 51 N -4.21 0.00 -0.44 -0.18 0.31 0.09 -3.93 118.33 109.96 1keg n VAL 51 Ca -0.27 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1keg n VAL 51 Cb 0.67 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.60 1keg n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1keg n SER 52 N 1.23 0.87 -4.79 4.52 3.41 -1.23 -3.41 113.62 114.22 1keg n SER 52 Ca 0.00 -1.31 -0.38 0.00 -0.26 0.00 0.00 58.87 56.92 1keg n SER 52 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1keg n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1keg s ASN 53 N -0.31 6.69 -0.15 4.04 0.01 -0.20 -4.49 114.94 120.53 1keg s ASN 53 Ca 0.00 0.82 -0.18 0.00 -0.71 0.00 0.00 52.86 52.79 1keg s ASN 53 Cb 0.00 -2.24 -0.04 0.00 0.41 0.00 0.00 41.25 39.38 1keg s ASN 53 CO 0.00 0.21 0.50 -0.60 -1.51 0.00 0.00 177.10 175.70 1keg s ARG 54 N -0.39 4.28 0.69 -0.60 3.52 -1.26 0.58 118.95 125.77 1keg s ARG 54 Ca 0.22 0.45 -0.16 0.00 -0.13 0.00 0.00 55.73 56.11 1keg s ARG 54 Cb -0.15 -3.49 0.02 0.00 -1.56 0.00 0.00 34.95 29.76 1keg s ARG 54 CO 0.10 0.02 1.20 0.12 -0.81 0.00 0.00 175.30 175.94 1keg s PHE 55 N 1.07 2.18 0.23 5.12 5.36 -0.14 -4.91 117.98 126.89 1keg s PHE 55 Ca 0.25 1.57 -0.32 0.00 -0.96 0.00 0.00 56.93 57.48 1keg s PHE 55 Cb -0.15 -3.45 -0.12 0.00 -0.34 0.00 0.00 43.02 38.95 1keg s PHE 55 CO 0.10 -2.45 1.68 -1.13 -1.46 0.00 0.00 175.22 171.96 1keg n SER 56 N -2.43 3.90 0.00 6.13 3.41 -1.26 -2.10 113.62 121.27 1keg n SER 56 Ca 0.13 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.83 1keg n SER 56 Cb 0.50 -1.57 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 1keg n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1keg n GLY 57 N 3.38 0.79 3.73 5.00 0.00 -1.26 -5.05 105.19 111.77 1keg n GLY 57 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1keg n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1keg s VAL 58 N -2.30 4.75 0.52 1.61 1.01 -0.89 -5.02 120.40 120.09 1keg s VAL 58 Ca 0.00 1.82 -0.23 0.00 0.00 0.00 0.00 61.98 63.58 1keg s VAL 58 Cb 0.00 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 32.11 1keg s VAL 58 CO 0.00 0.28 1.38 -2.65 0.00 0.00 0.00 175.10 174.11 1keg n PRO 59 N 3.22 1.83 0.00 2.72 -0.02 -1.26 -4.89 135.00 136.60 1keg n PRO 59 Ca 0.01 0.67 0.05 0.00 -2.02 0.00 0.00 63.50 62.20 1keg n PRO 59 Cb 0.50 -2.59 0.28 0.00 -0.02 0.00 0.00 33.50 31.67 1keg n PRO 59 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1keg n ASP 60 N -0.81 0.00 0.12 2.55 5.75 -1.26 -2.10 116.55 120.81 1keg n ASP 60 Ca 0.09 -0.49 -0.03 0.00 -0.01 0.00 0.00 54.79 54.36 1keg n ASP 60 Cb 0.44 0.00 0.15 0.00 -1.03 0.00 0.00 41.12 40.67 1keg n ASP 60 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1keg h ARG 61 N 0.00 0.06 -6.16 0.11 3.08 -1.94 -3.43 114.38 106.11 1keg h ARG 61 Ca 0.00 -0.05 -0.56 0.00 0.07 0.00 0.00 59.98 59.45 1keg h ARG 61 Cb 0.00 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 1keg h ARG 61 CO 0.00 0.67 0.32 -0.06 -1.07 0.00 0.00 179.97 179.83 1keg s PHE 62 N -3.61 3.55 -0.05 3.04 0.08 -0.89 -1.84 117.98 118.25 1keg s PHE 62 Ca -0.02 1.44 -0.09 0.00 0.12 0.00 0.00 56.93 58.38 1keg s PHE 62 Cb 0.12 -3.01 0.02 0.00 -0.57 0.00 0.00 43.02 39.58 1keg s PHE 62 CO 0.77 -0.07 0.22 -1.54 -0.10 0.00 0.00 175.22 174.50 1keg s SER 63 N 1.00 -0.17 0.19 1.36 1.04 -0.72 -4.96 113.70 111.44 1keg s SER 63 Ca 0.44 0.25 0.07 0.00 0.48 0.00 0.00 55.95 57.19 1keg s SER 63 Cb -0.18 0.39 -0.05 0.00 0.10 0.00 0.00 66.02 66.28 1keg s SER 63 CO 0.20 -0.21 -0.14 -0.83 0.98 0.00 0.00 173.24 173.24 1keg s GLY 64 N -0.46 1.37 0.14 7.32 0.00 -1.26 -0.53 107.32 113.90 1keg s GLY 64 Ca -0.06 -1.62 -0.09 0.00 0.00 0.00 0.00 44.72 42.96 1keg s GLY 64 CO 0.01 -1.72 0.43 -1.14 0.00 0.00 0.00 173.10 170.69 1keg n SER 65 N -0.30 -0.96 0.00 1.64 3.41 -0.03 -4.34 113.62 113.04 1keg n SER 65 Ca -0.09 -1.59 0.00 0.00 -0.26 0.00 0.00 58.87 56.93 1keg n SER 65 Cb 0.60 1.58 0.00 0.00 -0.26 0.00 0.00 64.21 66.13 1keg n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1keg n GLY 66 N -0.30 1.93 3.59 5.00 0.00 -1.26 -0.08 105.19 114.07 1keg n GLY 66 Ca -0.03 -2.12 -0.06 0.00 0.00 0.00 0.00 46.02 43.82 1keg n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1keg s SER 67 N 0.00 -0.92 0.00 1.61 1.04 -0.35 -4.94 113.70 110.13 1keg s SER 67 Ca 0.00 1.45 0.00 0.00 0.48 0.00 0.00 55.95 57.88 1keg s SER 67 Cb 0.00 1.50 0.00 0.00 0.10 0.00 0.00 66.02 67.62 1keg s SER 67 CO 0.00 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1keg n GLY 68 N 4.56 0.54 0.02 7.32 0.00 -1.26 -3.36 105.19 113.01 1keg n GLY 68 Ca -0.18 -0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 1keg n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1keg n THR 69 N 0.00 0.24 -4.11 2.61 -2.24 -1.26 -2.48 114.28 107.05 1keg n THR 69 Ca 0.00 -0.13 -0.35 0.00 -2.27 0.00 0.00 64.05 61.30 1keg n THR 69 Cb 0.00 -0.82 -0.13 0.00 -2.10 0.00 0.00 70.33 67.28 1keg n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1keg s ASP 70 N -3.77 4.77 0.10 3.42 1.11 -1.21 -0.39 116.67 120.69 1keg s ASP 70 Ca -0.03 -0.21 0.07 0.00 0.18 0.00 0.00 52.55 52.56 1keg s ASP 70 Cb 0.01 -1.81 -0.03 0.00 1.07 0.00 0.00 42.92 42.16 1keg s ASP 70 CO 0.13 0.07 -0.18 -0.36 1.18 0.00 0.00 175.17 176.01 1keg s PHE 71 N 0.96 1.59 -0.01 4.23 0.08 0.13 -1.22 117.98 123.75 1keg s PHE 71 Ca 0.01 -0.45 -0.01 0.00 0.12 0.00 0.00 56.93 56.61 1keg s PHE 71 Cb -0.14 -0.86 0.00 0.00 -0.57 0.00 0.00 43.02 41.44 1keg s PHE 71 CO 0.02 0.17 0.02 0.99 -0.10 0.00 0.00 175.22 176.31 1keg s THR 72 N -1.36 0.00 -0.20 0.64 2.01 0.89 -0.54 115.64 117.08 1keg s THR 72 Ca 0.05 -0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.03 1keg s THR 72 Cb -0.09 -0.04 0.00 0.00 0.01 0.00 0.00 72.50 72.38 1keg s THR 72 CO 0.04 -0.00 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.63 1keg s LEU 73 N 0.00 2.56 -0.06 4.42 2.96 -0.29 -0.85 118.68 127.42 1keg s LEU 73 Ca -0.00 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 1keg s LEU 73 Cb -0.00 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 1keg s LEU 73 CO 0.00 -0.00 -0.11 -0.54 -1.32 0.00 0.00 176.35 174.38 1keg s LYS 74 N 1.34 2.67 -0.23 1.98 1.02 0.31 -0.54 119.74 126.30 1keg s LYS 74 Ca 0.05 -0.64 0.02 0.00 0.02 0.00 0.00 55.97 55.42 1keg s LYS 74 Cb -0.14 -2.48 0.05 0.00 -0.52 0.00 0.00 37.83 34.74 1keg s LYS 74 CO -0.07 0.61 -0.12 0.42 -0.92 0.00 0.00 175.35 175.27 1keg s ILE 75 N -0.68 1.95 0.47 2.17 1.01 0.24 -1.76 121.20 124.60 1keg s ILE 75 Ca 0.10 -1.31 0.20 0.00 0.00 0.00 0.00 60.65 59.65 1keg s ILE 75 Cb -0.11 -2.01 0.24 0.00 0.01 0.00 0.00 42.46 40.60 1keg s ILE 75 CO 0.01 0.12 2.07 0.77 0.00 0.00 0.00 174.94 177.91 1keg h SER 76 N 7.87 0.00 -1.09 3.58 4.64 -1.63 0.22 113.55 127.15 1keg h SER 76 Ca -0.26 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.12 1keg h SER 76 Cb 1.08 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.95 1keg h SER 76 CO 0.49 0.12 -0.31 -0.60 -0.87 0.00 0.00 176.83 175.66 1keg s ARG 77 N -4.58 0.55 -0.04 4.77 3.52 -1.25 -4.24 118.95 117.67 1keg s ARG 77 Ca -0.04 0.89 -0.30 0.00 -0.13 0.00 0.00 55.73 56.15 1keg s ARG 77 Cb 0.15 0.41 -0.05 0.00 -1.56 0.00 0.00 34.95 33.91 1keg s ARG 77 CO 0.65 -0.69 1.43 0.08 -0.81 0.00 0.00 175.30 175.95 1keg s VAL 78 N 2.82 3.79 0.32 7.11 1.01 0.02 -4.81 120.40 130.67 1keg s VAL 78 Ca 0.19 1.10 0.07 0.00 0.00 0.00 0.00 61.98 63.33 1keg s VAL 78 Cb -0.14 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1keg s VAL 78 CO -0.21 -0.04 0.42 -1.61 0.00 0.00 0.00 175.10 173.66 1keg s GLU 79 N 2.93 3.09 0.37 2.72 0.41 -1.26 -1.15 118.70 125.81 1keg s GLU 79 Ca 0.64 -1.03 0.06 0.00 -0.41 0.00 0.00 54.97 54.23 1keg s GLU 79 Cb -0.30 -2.76 0.73 0.00 -1.78 0.00 0.00 34.13 30.02 1keg s GLU 79 CO 0.25 0.12 1.95 0.00 -0.49 0.00 0.00 175.26 177.10 1keg h ALA 80 N 1.00 1.52 0.00 5.21 0.00 -2.00 -1.84 119.26 123.16 1keg h ALA 80 Ca -0.46 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1keg h ALA 80 Cb 1.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1keg h ALA 80 CO 0.55 0.36 0.00 -0.85 0.00 0.00 0.00 179.25 179.31 1keg n GLU 81 N -4.36 0.55 0.00 0.00 0.28 -1.26 -2.80 120.64 113.05 1keg n GLU 81 Ca 0.02 0.01 0.11 0.00 -0.16 0.00 0.00 57.16 57.14 1keg n GLU 81 Cb 0.17 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.58 1keg n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1keg n ASP 82 N -1.02 1.96 -4.72 -1.84 8.00 -0.69 -4.96 116.55 113.28 1keg n ASP 82 Ca 0.13 -1.47 -0.42 0.00 0.71 0.00 0.00 54.79 53.75 1keg n ASP 82 Cb 0.07 0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 41.58 1keg n ASP 82 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1keg s LEU 83 N -2.47 4.41 0.00 0.64 1.43 -1.12 -4.90 118.68 116.66 1keg s LEU 83 Ca 0.19 1.92 0.00 0.00 -1.03 0.00 0.00 54.13 55.21 1keg s LEU 83 Cb 0.18 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.82 1keg s LEU 83 CO 0.56 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.43 1keg n GLY 84 N 2.80 -0.64 3.67 -3.19 0.00 -1.22 -4.68 105.19 101.93 1keg n GLY 84 Ca 0.06 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 1keg n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1keg s VAL 85 N -3.00 4.68 -0.19 1.61 1.01 -0.60 -1.30 120.40 122.61 1keg s VAL 85 Ca 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 1keg s VAL 85 Cb 0.00 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1keg s VAL 85 CO 0.00 0.53 0.03 -0.31 0.00 0.00 0.00 175.10 175.34 1keg s TYR 86 N -0.17 3.14 -0.06 5.22 1.51 -0.12 -0.59 117.35 126.28 1keg s TYR 86 Ca 0.07 -0.16 0.06 0.00 -1.01 0.00 0.00 57.07 56.03 1keg s TYR 86 Cb -0.12 -2.07 -0.01 0.00 -0.11 0.00 0.00 41.96 39.65 1keg s TYR 86 CO 0.01 -0.01 -0.24 0.71 -1.11 0.00 0.00 175.55 174.91 1keg s TYR 87 N 0.60 2.34 0.01 2.71 1.51 -0.14 -1.05 117.35 123.33 1keg s TYR 87 Ca 0.01 -0.71 -0.05 0.00 -1.01 0.00 0.00 57.07 55.31 1keg s TYR 87 Cb -0.14 -1.54 -0.05 0.00 -0.11 0.00 0.00 41.96 40.13 1keg s TYR 87 CO 0.02 -0.22 0.25 0.00 -1.11 0.00 0.00 175.55 174.48 1keg s PHE 89 N -1.33 1.04 -0.37 0.00 5.36 0.83 0.02 117.98 123.53 1keg s PHE 89 Ca 0.28 -0.20 -0.11 0.00 -0.96 0.00 0.00 56.93 55.94 1keg s PHE 89 Cb -0.13 -0.67 0.02 0.00 -0.34 0.00 0.00 43.02 41.90 1keg s PHE 89 CO 0.17 -0.02 0.21 -1.14 -1.46 0.00 0.00 175.22 172.99 1keg s GLN 90 N -0.30 2.93 0.00 10.12 -0.44 0.22 -0.93 119.66 131.25 1keg s GLN 90 Ca 0.04 -1.01 0.12 0.00 -2.50 0.00 0.00 55.36 52.01 1keg s GLN 90 Cb -0.05 -3.74 0.35 0.00 -1.64 0.00 0.00 33.01 27.94 1keg s GLN 90 CO -0.00 -0.66 1.29 0.41 0.50 0.00 0.00 175.29 176.83 1keg n GLY 91 N 5.02 0.70 3.34 2.59 0.00 0.65 -1.63 105.19 115.87 1keg n GLY 91 Ca -0.12 -0.40 -0.18 0.00 0.00 0.00 0.00 46.02 45.32 1keg n GLY 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1keg s SER 92 N -1.04 2.07 0.23 1.61 1.04 -1.26 -4.76 113.70 111.59 1keg s SER 92 Ca 0.25 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1keg s SER 92 Cb 0.13 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1keg s SER 92 CO 0.17 -0.44 0.00 -0.11 0.98 0.00 0.00 173.24 173.85 1keg n LEU 93 N -0.42 0.00 -3.92 2.42 7.94 -1.26 -3.83 117.00 117.92 1keg n LEU 93 Ca -0.06 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.53 1keg n LEU 93 Cb 0.63 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.43 1keg n LEU 93 CO 0.37 0.00 -0.34 -0.69 -1.11 0.00 0.00 177.39 175.62 1keg s VAL 94 N 0.00 1.77 0.05 1.96 1.01 -1.26 -5.09 120.40 118.84 1keg s VAL 94 Ca 0.00 -1.98 -0.37 0.00 0.00 0.00 0.00 61.98 59.64 1keg s VAL 94 Cb 0.00 -2.30 -0.16 0.00 0.00 0.00 0.00 36.38 33.91 1keg s VAL 94 CO 0.00 -0.60 1.43 -2.65 0.00 0.00 0.00 175.10 173.28 1keg n PRO 95 N 4.47 1.30 -3.75 2.72 -0.02 -1.25 -4.91 135.00 133.57 1keg n PRO 95 Ca 0.01 0.47 -0.15 0.00 -2.02 0.00 0.00 63.50 61.82 1keg n PRO 95 Cb 0.42 -2.14 -0.15 0.00 -0.02 0.00 0.00 33.50 31.61 1keg n PRO 95 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1keg s THR 97 N 0.97 -0.07 0.42 3.45 2.01 -0.64 -4.96 115.64 116.82 1keg s THR 97 Ca 0.85 0.22 -0.03 0.00 0.31 0.00 0.00 61.69 63.04 1keg s THR 97 Cb -0.93 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 1keg s THR 97 CO 0.48 0.09 0.68 -0.36 -0.69 0.00 0.00 174.62 174.82 1keg s PHE 98 N 1.28 3.53 0.49 4.92 0.08 -1.26 -0.61 117.98 126.40 1keg s PHE 98 Ca -0.08 0.63 -0.01 0.00 0.12 0.00 0.00 56.93 57.59 1keg s PHE 98 Cb -0.12 -2.13 0.00 0.00 -0.57 0.00 0.00 43.02 40.20 1keg s PHE 98 CO -0.05 -0.10 0.72 0.20 -0.10 0.00 0.00 175.22 175.89 1keg s GLY 99 N -4.03 1.61 0.29 4.36 0.00 0.10 -4.66 107.32 104.99 1keg s GLY 99 Ca 0.44 -1.03 0.21 0.00 0.00 0.00 0.00 44.72 44.34 1keg s GLY 99 CO 0.41 -0.83 1.65 0.61 0.00 0.00 0.00 173.10 174.94 1keg n GLY 100 N -2.20 -0.97 0.00 0.20 0.00 -1.26 -4.65 105.19 96.31 1keg n GLY 100 Ca 0.03 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1keg n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1keg n GLY 101 N -0.92 -0.36 3.06 -0.02 0.00 -1.26 -5.02 105.19 100.67 1keg n GLY 101 Ca -0.00 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 1keg n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1keg s THR 102 N -2.45 1.59 -0.35 2.61 2.01 -0.22 -4.67 115.64 114.17 1keg s THR 102 Ca 0.00 -0.68 -0.19 0.00 0.31 0.00 0.00 61.69 61.13 1keg s THR 102 Cb 0.00 -1.46 -0.00 0.00 0.01 0.00 0.00 72.50 71.05 1keg s THR 102 CO 0.00 0.46 0.58 -0.75 -0.69 0.00 0.00 174.62 174.22 1keg s LYS 103 N 1.15 3.68 -0.25 4.92 2.20 0.07 -0.94 119.74 130.57 1keg s LYS 103 Ca -0.02 -0.01 -0.22 0.00 -0.36 0.00 0.00 55.97 55.35 1keg s LYS 103 Cb -0.14 -3.80 -0.01 0.00 -1.51 0.00 0.00 37.83 32.37 1keg s LYS 103 CO -0.05 -0.68 0.73 -1.17 -0.36 0.00 0.00 175.35 173.82 1keg s LEU 104 N 2.57 4.07 0.36 5.43 2.96 -0.42 -0.45 118.68 133.20 1keg s LEU 104 Ca 0.22 0.87 0.04 0.00 -0.22 0.00 0.00 54.13 55.03 1keg s LEU 104 Cb -0.15 -3.02 -0.03 0.00 0.50 0.00 0.00 46.19 43.49 1keg s LEU 104 CO 0.14 -0.45 0.13 -1.83 -1.32 0.00 0.00 176.35 173.02 1keg s GLU 105 N 2.68 1.79 0.07 1.98 -1.05 -0.68 -3.37 118.70 120.12 1keg s GLU 105 Ca 0.30 -2.06 -0.21 0.00 -0.15 0.00 0.00 54.97 52.86 1keg s GLU 105 Cb -0.15 -0.48 -0.06 0.00 -0.44 0.00 0.00 34.13 32.99 1keg s GLU 105 CO 0.08 -0.43 0.61 0.42 0.95 0.00 0.00 175.26 176.89 1keg s ILE 106 N -3.34 4.72 -0.05 1.83 1.01 -1.26 -1.15 121.20 122.96 1keg s ILE 106 Ca 0.29 1.32 -0.15 0.00 0.00 0.00 0.00 60.65 62.11 1keg s ILE 106 Cb 0.04 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 1keg s ILE 106 CO 0.16 0.51 0.41 -0.75 0.00 0.00 0.00 174.94 175.27 1keg s LYS 107 N -0.85 4.06 0.26 2.79 2.20 -0.63 -4.61 119.74 122.96 1keg s LYS 107 Ca 0.31 0.38 -0.00 0.00 -0.36 0.00 0.00 55.97 56.29 1keg s LYS 107 Cb -0.20 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.79 1keg s LYS 107 CO 0.20 0.50 0.25 -0.98 -0.36 0.00 0.00 175.35 174.96 1keg s ARG 108 N -0.47 1.47 0.69 4.03 1.70 -1.26 -4.62 118.95 120.49 1keg s ARG 108 Ca 0.23 -1.71 -0.14 0.00 -0.47 0.00 0.00 55.73 53.65 1keg s ARG 108 Cb -0.16 0.33 0.02 0.00 -0.57 0.00 0.00 34.95 34.57 1keg s ARG 108 CO 0.11 -0.53 1.11 0.00 -1.08 0.00 0.00 175.30 174.91 1keg s ALA 109 N -3.83 2.40 0.57 7.88 0.00 -1.26 -4.97 121.76 122.56 1keg s ALA 109 Ca 0.37 0.48 -0.20 0.00 0.00 0.00 0.00 51.96 52.61 1keg s ALA 109 Cb 0.04 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 1keg s ALA 109 CO 0.17 -1.42 1.26 -0.51 0.00 0.00 0.00 175.76 175.26 1keg s ASP 110 N -2.78 5.24 -0.11 0.00 1.11 -1.26 -4.80 116.67 114.07 1keg s ASP 110 Ca 0.66 2.52 -0.04 0.00 0.18 0.00 0.00 52.55 55.87 1keg s ASP 110 Cb -0.20 -2.61 0.05 0.00 1.07 0.00 0.00 42.92 41.23 1keg s ASP 110 CO 0.45 -1.57 0.22 0.00 1.18 0.00 0.00 175.17 175.45 1keg s ALA 111 N -1.47 -0.40 0.31 5.23 0.00 0.06 -4.90 121.76 120.58 1keg s ALA 111 Ca 0.75 0.80 -0.28 0.00 0.00 0.00 0.00 51.96 53.24 1keg s ALA 111 Cb -0.34 -0.84 -0.09 0.00 0.00 0.00 0.00 23.12 21.85 1keg s ALA 111 CO 0.38 -0.50 1.03 0.00 0.00 0.00 0.00 175.76 176.68 1keg s ALA 112 N 2.07 3.28 0.54 0.00 0.00 -1.26 -0.26 121.76 126.13 1keg s ALA 112 Ca -0.01 0.74 -0.19 0.00 0.00 0.00 0.00 51.96 52.49 1keg s ALA 112 Cb -0.12 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 1keg s ALA 112 CO -0.07 -0.05 1.12 -1.25 0.00 0.00 0.00 175.76 175.51 1keg s PRO 113 N -1.74 3.39 -0.40 0.00 0.04 -1.26 -4.53 135.00 130.51 1keg s PRO 113 Ca 0.48 1.57 -0.11 0.00 0.04 0.00 0.00 61.00 62.98 1keg s PRO 113 Cb -0.26 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.31 1keg s PRO 113 CO 0.33 -0.81 0.25 0.99 0.04 0.00 0.00 177.00 177.81 1keg s THR 114 N -1.82 4.59 0.01 1.26 2.01 -0.41 -4.90 115.64 116.38 1keg s THR 114 Ca 0.72 -1.03 -0.16 0.00 0.31 0.00 0.00 61.69 61.53 1keg s THR 114 Cb -0.23 -3.66 -0.06 0.00 0.01 0.00 0.00 72.50 68.57 1keg s THR 114 CO 0.27 -0.36 0.45 -0.69 -0.69 0.00 0.00 174.62 173.60 1keg s VAL 115 N 1.54 4.97 -0.03 3.82 1.01 -1.26 -2.01 120.40 128.44 1keg s VAL 115 Ca 0.03 0.94 0.00 0.00 0.00 0.00 0.00 61.98 62.95 1keg s VAL 115 Cb -0.21 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.43 1keg s VAL 115 CO 0.06 0.55 0.01 -0.44 0.00 0.00 0.00 175.10 175.28 1keg s SER 116 N -0.93 0.42 -0.05 3.32 0.01 -0.54 -5.00 113.70 110.92 1keg s SER 116 Ca 0.25 -0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.52 1keg s SER 116 Cb -0.17 -0.19 -0.03 0.00 0.21 0.00 0.00 66.02 65.84 1keg s SER 116 CO 0.14 -0.12 -0.08 -0.51 0.41 0.00 0.00 173.24 173.09 1keg s ILE 117 N 1.12 3.61 -0.09 1.44 2.07 -1.26 -1.02 121.20 127.07 1keg s ILE 117 Ca -0.08 -0.56 0.00 0.00 -1.41 0.00 0.00 60.65 58.59 1keg s ILE 117 Cb -0.13 -2.48 0.02 0.00 0.13 0.00 0.00 42.46 40.00 1keg s ILE 117 CO -0.02 0.56 -0.07 -0.36 -1.91 0.00 0.00 174.94 173.14 1keg s PHE 118 N -0.83 1.28 0.85 3.50 0.40 0.89 -5.00 117.98 119.07 1keg s PHE 118 Ca 0.13 -0.55 -0.11 0.00 -0.60 0.00 0.00 56.93 55.80 1keg s PHE 118 Cb -0.11 -1.06 0.10 0.00 0.51 0.00 0.00 43.02 42.46 1keg s PHE 118 CO 0.02 -0.39 1.09 -2.14 0.70 0.00 0.00 175.22 174.51 1keg s PRO 119 N 1.37 1.63 0.64 0.24 0.02 -1.26 -1.97 135.00 135.67 1keg s PRO 119 Ca -0.02 0.98 -0.18 0.00 0.02 0.00 0.00 61.00 61.80 1keg s PRO 119 Cb -0.14 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.53 1keg s PRO 119 CO -0.04 -2.02 1.31 -2.14 -0.33 0.00 0.00 177.00 173.77 1keg s PRO 120 N -4.91 2.59 0.51 5.54 0.02 -1.23 -4.81 135.00 132.71 1keg s PRO 120 Ca 0.63 2.09 -0.17 0.00 0.02 0.00 0.00 61.00 63.57 1keg s PRO 120 Cb -0.18 -1.88 -0.08 0.00 0.02 0.00 0.00 34.50 32.38 1keg s PRO 120 CO 0.57 -1.58 0.99 -1.54 -0.33 0.00 0.00 177.00 175.11 1keg s SER 121 N -1.34 6.59 0.26 2.53 1.04 -1.26 -4.92 113.70 116.60 1keg s SER 121 Ca 0.82 1.61 -0.05 0.00 0.48 0.00 0.00 55.95 58.81 1keg s SER 121 Cb -0.38 -2.52 0.31 0.00 0.10 0.00 0.00 66.02 63.54 1keg s SER 121 CO 0.41 -0.61 1.94 0.77 0.98 0.00 0.00 173.24 176.72 1keg h SER 122 N 1.01 1.10 -0.58 7.02 4.64 -1.99 -1.02 113.55 123.74 1keg h SER 122 Ca -0.47 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 60.79 1keg h SER 122 Cb 1.19 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.98 1keg h SER 122 CO 0.61 0.79 0.27 -0.33 -0.87 0.00 0.00 176.83 177.30 1keg h GLU 123 N 1.30 0.88 0.04 4.77 5.08 -1.99 -1.25 114.58 123.41 1keg h GLU 123 Ca 0.36 -0.13 -0.25 0.00 -1.00 0.00 0.00 59.36 58.34 1keg h GLU 123 Cb -0.13 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 28.97 1keg h GLU 123 CO -0.08 0.71 -1.05 0.37 -1.00 0.00 0.00 179.01 177.95 1keg h GLN 124 N 0.87 0.44 -0.38 2.33 4.15 -1.75 -3.26 115.11 117.53 1keg h GLN 124 Ca 0.21 -0.53 -0.10 0.00 0.77 0.00 0.00 58.65 59.00 1keg h GLN 124 Cb 0.14 0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 1keg h GLN 124 CO -0.02 1.19 -0.18 -0.07 -1.93 0.00 0.00 178.83 177.82 1keg h LEU 125 N 0.22 0.70 -2.59 -2.39 3.38 -0.98 -1.80 115.31 111.85 1keg h LEU 125 Ca -0.11 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.64 1keg h LEU 125 Cb 1.71 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.27 1keg h LEU 125 CO 0.19 0.88 0.03 0.74 0.09 0.00 0.00 178.44 180.37 1keg h THR 126 N 0.63 0.35 -0.62 0.22 2.02 -1.27 -1.09 112.91 113.14 1keg h THR 126 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1keg h THR 126 Cb 0.65 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1keg h THR 126 CO 0.05 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.40 1keg n SER 127 N -3.58 3.81 0.00 4.18 3.41 -0.98 -4.95 113.62 115.51 1keg n SER 127 Ca -0.02 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 1keg n SER 127 Cb 0.11 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1keg n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1keg n GLY 128 N 1.63 0.61 3.69 5.00 0.00 -0.41 -5.04 105.19 110.66 1keg n GLY 128 Ca 0.23 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1keg n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1keg s GLY 129 N -2.07 1.63 -0.40 -0.02 0.00 -0.71 -2.05 107.32 103.70 1keg s GLY 129 Ca 0.00 -1.62 0.05 0.00 0.00 0.00 0.00 44.72 43.14 1keg s GLY 129 CO 0.00 -1.67 0.48 0.00 0.00 0.00 0.00 173.10 171.91 1keg s ALA 130 N -2.30 -0.95 -0.28 3.20 0.00 -0.87 -3.25 121.76 117.30 1keg s ALA 130 Ca 0.32 -0.75 -0.13 0.00 0.00 0.00 0.00 51.96 51.40 1keg s ALA 130 Cb -0.06 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 1keg s ALA 130 CO 0.21 -2.17 0.28 -1.12 0.00 0.00 0.00 175.76 172.97 1keg s SER 131 N 1.34 6.13 -0.26 0.00 0.01 -1.26 -0.97 113.70 118.68 1keg s SER 131 Ca 0.20 0.07 -0.10 0.00 1.31 0.00 0.00 55.95 57.42 1keg s SER 131 Cb -0.09 -2.16 -0.05 0.00 0.21 0.00 0.00 66.02 63.93 1keg s SER 131 CO -0.05 -0.14 0.16 -0.69 0.41 0.00 0.00 173.24 172.93 1keg s VAL 132 N 1.90 5.19 0.00 3.43 1.01 -0.08 -3.58 120.40 128.28 1keg s VAL 132 Ca 0.11 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.23 1keg s VAL 132 Cb -0.16 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1keg s VAL 132 CO 0.11 0.30 -0.01 -0.69 0.00 0.00 0.00 175.10 174.80 1keg s VAL 133 N 1.49 4.09 -0.09 2.92 1.01 -0.83 -0.39 120.40 128.59 1keg s VAL 133 Ca 0.07 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 1keg s VAL 133 Cb -0.15 -2.82 0.03 0.00 0.00 0.00 0.00 36.38 33.44 1keg s VAL 133 CO 0.08 0.37 0.02 0.00 0.00 0.00 0.00 175.10 175.57 1keg s PHE 135 N 1.99 3.45 -0.40 0.00 0.08 -0.19 -1.12 117.98 121.79 1keg s PHE 135 Ca 0.04 0.42 0.03 0.00 0.12 0.00 0.00 56.93 57.54 1keg s PHE 135 Cb -0.13 -2.16 0.11 0.00 -0.57 0.00 0.00 43.02 40.27 1keg s PHE 135 CO -0.06 0.35 0.14 -0.51 -0.10 0.00 0.00 175.22 175.05 1keg s LEU 136 N 0.15 4.02 0.28 -0.37 1.02 -0.31 -1.47 118.68 122.00 1keg s LEU 136 Ca 0.11 -2.39 0.03 0.00 0.02 0.00 0.00 54.13 51.89 1keg s LEU 136 Cb -0.12 -1.45 -0.03 0.00 0.02 0.00 0.00 46.19 44.61 1keg s LEU 136 CO 0.00 -0.33 0.43 0.20 0.02 0.00 0.00 176.35 176.67 1keg s ASN 137 N 0.59 6.32 -1.15 2.29 0.01 -0.85 -1.06 114.94 121.08 1keg s ASN 137 Ca 0.13 0.24 -0.31 0.00 -0.71 0.00 0.00 52.86 52.21 1keg s ASN 137 Cb -0.21 -1.94 0.04 0.00 0.41 0.00 0.00 41.25 39.55 1keg s ASN 137 CO -0.07 -0.15 0.65 0.59 -1.51 0.00 0.00 177.10 176.61 1keg n ASN 138 N -1.48 -4.06 -4.60 -1.22 3.02 -1.16 -1.29 115.26 104.47 1keg n ASN 138 Ca -0.07 -1.25 -0.27 0.00 -0.03 0.00 0.00 54.58 52.96 1keg n ASN 138 Cb 0.56 -1.54 -0.10 0.00 -0.61 0.00 0.00 39.78 38.09 1keg n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1keg s PHE 139 N -3.50 2.49 -0.28 3.10 -0.71 -0.56 -4.46 117.98 114.06 1keg s PHE 139 Ca 0.43 -0.58 -0.21 0.00 -1.04 0.00 0.00 56.93 55.54 1keg s PHE 139 Cb -0.24 -1.62 0.11 0.00 -1.21 0.00 0.00 43.02 40.06 1keg s PHE 139 CO 0.95 0.48 0.91 -0.47 -1.34 0.00 0.00 175.22 175.75 1keg s TYR 140 N -2.65 -0.66 1.08 3.49 6.14 0.64 -0.76 117.35 124.62 1keg s TYR 140 Ca 0.34 1.45 -0.16 0.00 0.64 0.00 0.00 57.07 59.34 1keg s TYR 140 Cb 0.06 0.40 0.23 0.00 0.42 0.00 0.00 41.96 43.07 1keg s TYR 140 CO 0.18 -0.32 1.16 -1.25 0.64 0.00 0.00 175.55 175.96 1keg s PRO 141 N 0.86 -0.22 0.47 4.97 0.04 -1.26 -0.76 135.00 139.10 1keg s PRO 141 Ca -0.04 -0.02 0.32 0.00 0.04 0.00 0.00 61.00 61.31 1keg s PRO 141 Cb -0.05 -1.71 1.61 0.00 0.04 0.00 0.00 34.50 34.40 1keg s PRO 141 CO -0.10 -3.05 1.97 1.57 0.04 0.00 0.00 177.00 177.42 1keg h LYS 142 N -2.11 0.00 -6.19 4.56 2.10 -1.97 -3.43 116.57 109.53 1keg h LYS 142 Ca -0.47 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 57.62 1keg h LYS 142 Cb 1.29 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.59 1keg h LYS 142 CO 0.43 0.00 0.94 -0.51 -2.00 0.00 0.00 179.45 178.30 1keg s ASP 143 N -4.74 6.88 0.02 7.07 1.01 -1.26 -4.98 116.67 120.68 1keg s ASP 143 Ca -0.02 1.83 -0.26 0.00 0.71 0.00 0.00 52.55 54.81 1keg s ASP 143 Cb 0.09 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.55 1keg s ASP 143 CO 0.36 -0.79 0.60 -0.51 0.21 0.00 0.00 175.17 175.04 1keg s ILE 144 N 3.54 0.01 -0.01 0.77 2.07 -1.26 -4.70 121.20 121.62 1keg s ILE 144 Ca 0.59 -0.10 0.04 0.00 -1.41 0.00 0.00 60.65 59.77 1keg s ILE 144 Cb -0.25 -0.97 -0.01 0.00 0.13 0.00 0.00 42.46 41.36 1keg s ILE 144 CO 0.19 -0.06 -0.13 0.20 -1.91 0.00 0.00 174.94 173.23 1keg s ASN 145 N -1.70 1.59 -0.09 4.50 0.01 -1.10 -5.01 114.94 113.15 1keg s ASN 145 Ca -0.07 -0.25 0.03 0.00 -0.71 0.00 0.00 52.86 51.86 1keg s ASN 145 Cb -0.01 -0.21 0.01 0.00 0.41 0.00 0.00 41.25 41.45 1keg s ASN 145 CO 0.02 0.16 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.91 1keg s VAL 146 N -0.26 1.58 -0.09 1.60 1.01 -1.26 -1.09 120.40 121.88 1keg s VAL 146 Ca 0.04 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1keg s VAL 146 Cb -0.06 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1keg s VAL 146 CO -0.00 0.45 -0.19 -0.54 0.00 0.00 0.00 175.10 174.82 1keg s LYS 147 N 0.62 2.99 -0.07 2.72 1.02 0.00 -4.97 119.74 122.05 1keg s LYS 147 Ca -0.14 -0.79 -0.07 0.00 0.02 0.00 0.00 55.97 54.99 1keg s LYS 147 Cb -0.16 -2.40 -0.04 0.00 -0.52 0.00 0.00 37.83 34.71 1keg s LYS 147 CO 0.04 0.29 0.19 -1.58 -0.92 0.00 0.00 175.35 173.37 1keg s TRP 148 N 0.10 3.60 -0.02 3.18 0.52 -1.26 -1.52 118.94 123.53 1keg s TRP 148 Ca -0.09 0.55 0.02 0.00 0.02 0.00 0.00 56.10 56.60 1keg s TRP 148 Cb -0.15 -1.96 0.01 0.00 -1.15 0.00 0.00 33.47 30.22 1keg s TRP 148 CO 0.06 0.70 -0.06 0.15 0.02 0.00 0.00 176.95 177.82 1keg s LYS 149 N -1.28 0.67 -0.22 4.98 1.02 0.12 -1.42 119.74 123.62 1keg s LYS 149 Ca 0.19 -0.17 0.01 0.00 0.02 0.00 0.00 55.97 56.02 1keg s LYS 149 Cb -0.13 -0.67 0.03 0.00 -0.52 0.00 0.00 37.83 36.55 1keg s LYS 149 CO 0.09 0.04 -0.14 0.42 -0.92 0.00 0.00 175.35 174.84 1keg s ILE 150 N 0.34 2.31 -2.02 2.17 1.01 0.26 -0.77 121.20 124.50 1keg s ILE 150 Ca -0.04 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.44 1keg s ILE 150 Cb -0.08 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.24 1keg s ILE 150 CO -0.00 0.28 0.00 0.47 0.00 0.00 0.00 174.94 175.69 1keg n ASP 151 N 4.58 -5.03 0.00 3.58 8.00 -0.10 -1.00 116.55 126.57 1keg n ASP 151 Ca -0.18 0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.79 1keg n ASP 151 Cb 0.47 -4.48 0.00 0.00 -0.02 0.00 0.00 41.12 37.09 1keg n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1keg n GLY 152 N -0.36 2.11 3.74 0.44 0.00 -1.26 -5.00 105.19 104.85 1keg n GLY 152 Ca -0.19 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 1keg n GLY 152 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1keg s SER 153 N 0.22 7.29 0.50 1.61 0.15 -0.17 -4.94 113.70 118.37 1keg s SER 153 Ca 0.00 2.06 -0.20 0.00 0.70 0.00 0.00 55.95 58.50 1keg s SER 153 Cb 0.00 -2.60 -0.07 0.00 -1.71 0.00 0.00 66.02 61.64 1keg s SER 153 CO 0.00 -0.21 1.09 -0.70 1.20 0.00 0.00 173.24 174.63 1keg s GLU 154 N -0.32 3.62 -0.07 5.44 2.12 -1.26 0.89 118.70 129.13 1keg s GLU 154 Ca 0.49 1.53 -0.00 0.00 0.36 0.00 0.00 54.97 57.34 1keg s GLU 154 Cb -0.29 -2.12 0.02 0.00 0.26 0.00 0.00 34.13 32.01 1keg s GLU 154 CO 0.34 -0.61 -0.03 0.50 -0.54 0.00 0.00 175.26 174.93 1keg s ARG 155 N -3.15 0.84 -0.09 4.30 6.06 -0.50 -4.81 118.95 121.59 1keg s ARG 155 Ca 0.69 -0.03 0.10 0.00 -2.50 0.00 0.00 55.73 53.99 1keg s ARG 155 Cb -0.21 -1.02 -0.14 0.00 0.06 0.00 0.00 34.95 33.64 1keg s ARG 155 CO 0.25 -0.21 0.08 1.04 -2.50 0.00 0.00 175.30 173.95 1keg n GLN 156 N 4.71 1.90 -2.76 5.12 6.02 -1.26 -4.27 117.38 126.84 1keg n GLN 156 Ca -0.14 -0.02 -0.41 0.00 -0.01 0.00 0.00 57.00 56.42 1keg n GLN 156 Cb 0.50 -1.28 -0.05 0.00 1.02 0.00 0.00 30.24 30.44 1keg n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1keg s ASN 157 N -4.16 7.51 0.00 1.08 0.01 -1.26 -3.78 114.94 114.34 1keg s ASN 157 Ca -0.05 1.80 0.00 0.00 -0.71 0.00 0.00 52.86 53.89 1keg s ASN 157 Cb 0.04 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.12 1keg s ASN 157 CO 0.45 0.00 0.00 0.61 -1.51 0.00 0.00 177.10 176.65 1keg n GLY 158 N 2.06 0.57 3.75 0.66 0.00 -1.26 -4.86 105.19 106.11 1keg n GLY 158 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1keg n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1keg s VAL 159 N -2.26 4.51 -0.11 1.61 1.01 -1.25 -1.88 120.40 122.05 1keg s VAL 159 Ca 0.00 1.75 -0.01 0.00 0.00 0.00 0.00 61.98 63.72 1keg s VAL 159 Cb 0.00 -4.17 0.03 0.00 0.00 0.00 0.00 36.38 32.24 1keg s VAL 159 CO 0.00 0.43 -0.01 -0.22 0.00 0.00 0.00 175.10 175.29 1keg s LEU 160 N -0.54 0.88 0.14 3.92 2.96 0.41 -4.96 118.68 121.48 1keg s LEU 160 Ca 0.39 -0.28 0.07 0.00 -0.22 0.00 0.00 54.13 54.08 1keg s LEU 160 Cb -0.22 -0.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.84 1keg s LEU 160 CO 0.26 -0.19 -0.04 0.20 -1.32 0.00 0.00 176.35 175.26 1keg s ASN 161 N 1.88 4.67 -0.12 3.68 0.02 -1.26 -0.41 114.94 123.40 1keg s ASN 161 Ca 0.04 -0.36 -0.08 0.00 -1.02 0.00 0.00 52.86 51.44 1keg s ASN 161 Cb -0.13 -0.98 0.04 0.00 0.02 0.00 0.00 41.25 40.20 1keg s ASN 161 CO -0.06 0.13 0.30 -0.55 0.02 0.00 0.00 177.10 176.94 1keg s SER 162 N -2.58 -0.33 -0.00 -1.22 0.15 0.44 -4.96 113.70 105.20 1keg s SER 162 Ca 0.25 0.62 0.05 0.00 0.70 0.00 0.00 55.95 57.57 1keg s SER 162 Cb -0.10 0.56 -0.03 0.00 -1.71 0.00 0.00 66.02 64.74 1keg s SER 162 CO 0.17 -0.14 -0.14 0.26 1.20 0.00 0.00 173.24 174.59 1keg s TRP 163 N 0.79 2.70 0.57 3.44 0.51 -1.26 0.09 118.94 125.77 1keg s TRP 163 Ca -0.05 -0.16 -0.05 0.00 -2.12 0.00 0.00 56.10 53.72 1keg s TRP 163 Cb -0.06 -1.56 0.01 0.00 -0.81 0.00 0.00 33.47 31.04 1keg s TRP 163 CO -0.05 0.26 0.86 0.95 -0.51 0.00 0.00 176.95 178.45 1keg s THR 164 N -0.87 3.68 0.88 2.01 -4.23 -0.43 -5.00 115.64 111.68 1keg s THR 164 Ca 0.14 -0.10 -0.13 0.00 -1.18 0.00 0.00 61.69 60.43 1keg s THR 164 Cb -0.11 -3.45 0.12 0.00 1.34 0.00 0.00 72.50 70.41 1keg s THR 164 CO 0.04 -0.43 1.18 -1.81 -0.54 0.00 0.00 174.62 173.06 1keg s ASP 165 N -4.29 3.84 0.09 3.99 1.01 -1.26 -4.61 116.67 115.44 1keg s ASP 165 Ca 0.53 0.79 -0.34 0.00 0.71 0.00 0.00 52.55 54.23 1keg s ASP 165 Cb -0.10 -1.25 -0.14 0.00 1.01 0.00 0.00 42.92 42.44 1keg s ASP 165 CO 0.44 -2.32 1.62 1.67 0.21 0.00 0.00 175.17 176.78 1keg n GLN 166 N -3.59 2.02 -1.66 8.23 7.27 -1.26 -4.74 117.38 123.65 1keg n GLN 166 Ca 0.08 0.73 -0.49 0.00 0.07 0.00 0.00 57.00 57.40 1keg n GLN 166 Cb 0.60 -2.50 -0.05 0.00 2.41 0.00 0.00 30.24 30.70 1keg n GLN 166 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1keg n ASP 167 N 4.06 2.78 0.08 1.69 -0.08 0.16 -4.85 116.55 120.38 1keg n ASP 167 Ca 0.19 1.07 0.09 0.00 -1.51 0.00 0.00 54.79 54.62 1keg n ASP 167 Cb 0.27 -1.34 0.38 0.00 2.34 0.00 0.00 41.12 42.78 1keg n ASP 167 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1keg n SER 168 N 3.98 0.35 -0.05 1.67 3.41 -1.26 -1.22 113.62 120.50 1keg n SER 168 Ca 0.19 0.61 -0.08 0.00 -0.26 0.00 0.00 58.87 59.33 1keg n SER 168 Cb 0.25 -0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 63.50 1keg n SER 168 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1keg n LYS 169 N -1.92 0.34 -0.10 4.33 3.00 -1.26 -4.80 118.16 117.75 1keg n LYS 169 Ca 0.02 0.14 0.12 0.00 -0.00 0.00 0.00 58.31 58.58 1keg n LYS 169 Cb 0.14 -1.08 0.16 0.00 0.00 0.00 0.00 35.03 34.24 1keg n LYS 169 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1keg n ASP 170 N -4.03 3.21 -1.42 3.14 5.68 -1.25 -4.98 116.55 116.89 1keg n ASP 170 Ca -0.14 -1.98 -0.19 0.00 -0.50 0.00 0.00 54.79 51.98 1keg n ASP 170 Cb 0.41 -0.13 -0.08 0.00 -1.14 0.00 0.00 41.12 40.19 1keg n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1keg n SER 171 N 1.40 -5.28 -4.84 -1.12 7.64 -0.36 -4.97 113.62 106.10 1keg n SER 171 Ca 0.16 0.46 -0.22 0.00 1.01 0.00 0.00 58.87 60.28 1keg n SER 171 Cb 0.59 -4.41 0.07 0.00 -1.01 0.00 0.00 64.21 59.45 1keg n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1keg s THR 172 N -2.68 2.37 0.15 0.44 -4.23 -1.26 -4.58 115.64 105.85 1keg s THR 172 Ca 0.00 -0.67 0.08 0.00 -1.18 0.00 0.00 61.69 59.92 1keg s THR 172 Cb 0.00 -2.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 1keg s THR 172 CO 0.00 0.00 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.59 1keg s TYR 173 N -2.93 1.79 0.08 3.99 1.51 0.06 0.38 117.35 122.23 1keg s TYR 173 Ca 0.62 -0.47 0.01 0.00 -1.01 0.00 0.00 57.07 56.23 1keg s TYR 173 Cb -0.07 -0.91 -0.04 0.00 -0.11 0.00 0.00 41.96 40.83 1keg s TYR 173 CO 0.41 0.30 -0.06 -1.12 -1.11 0.00 0.00 175.55 173.97 1keg s SER 174 N -2.56 0.97 0.09 2.29 0.01 -1.26 -1.49 113.70 111.75 1keg s SER 174 Ca 0.14 -0.89 -0.10 0.00 1.31 0.00 0.00 55.95 56.42 1keg s SER 174 Cb -0.06 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.27 1keg s SER 174 CO 0.06 -0.42 0.22 0.00 0.41 0.00 0.00 173.24 173.51 1keg s MET 175 N -3.28 0.87 -0.04 12.44 0.23 -0.22 -1.32 119.30 127.98 1keg s MET 175 Ca 0.06 -0.92 0.04 0.00 -1.03 0.00 0.00 55.69 53.83 1keg s MET 175 Cb 0.02 0.36 -0.00 0.00 -1.53 0.00 0.00 34.83 33.68 1keg s MET 175 CO -0.04 -0.29 -0.16 0.45 -2.03 0.00 0.00 175.02 172.95 1keg s SER 176 N -2.85 2.01 -0.13 -1.18 0.15 0.11 -1.16 113.70 110.66 1keg s SER 176 Ca 0.05 -0.33 -0.00 0.00 0.70 0.00 0.00 55.95 56.37 1keg s SER 176 Cb 0.04 -0.60 0.02 0.00 -1.71 0.00 0.00 66.02 63.78 1keg s SER 176 CO -0.11 0.13 -0.10 -0.55 1.20 0.00 0.00 173.24 173.81 1keg s SER 177 N 0.12 2.42 -0.07 5.45 0.15 -0.27 -0.42 113.70 121.08 1keg s SER 177 Ca -0.05 -0.40 0.03 0.00 0.70 0.00 0.00 55.95 56.24 1keg s SER 177 Cb -0.12 -0.98 -0.02 0.00 -1.71 0.00 0.00 66.02 63.20 1keg s SER 177 CO 0.02 -0.10 -0.17 -0.89 1.20 0.00 0.00 173.24 173.31 1keg s THR 178 N 1.62 2.81 -0.28 6.45 2.01 0.45 -0.90 115.64 127.80 1keg s THR 178 Ca 0.05 -0.80 -0.01 0.00 0.31 0.00 0.00 61.69 61.24 1keg s THR 178 Cb -0.13 -2.10 0.05 0.00 0.01 0.00 0.00 72.50 70.33 1keg s THR 178 CO -0.09 0.57 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.16 1keg s LEU 179 N -0.34 3.71 -0.22 4.42 2.96 0.48 -0.44 118.68 129.24 1keg s LEU 179 Ca 0.03 -1.24 -0.11 0.00 -0.22 0.00 0.00 54.13 52.59 1keg s LEU 179 Cb -0.13 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 1keg s LEU 179 CO 0.02 -0.23 0.16 -0.89 -1.32 0.00 0.00 176.35 174.09 1keg s THR 180 N 1.23 5.38 0.21 3.68 2.01 -0.79 -0.90 115.64 126.46 1keg s THR 180 Ca -0.05 0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.17 1keg s THR 180 Cb -0.19 -3.50 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 1keg s THR 180 CO -0.02 0.39 0.07 0.18 -0.69 0.00 0.00 174.62 174.54 1keg n LEU 181 N 3.94 0.00 -4.95 4.42 4.77 -0.15 -4.70 117.00 120.33 1keg n LEU 181 Ca -0.15 -1.56 -0.24 0.00 -0.03 0.00 0.00 56.01 54.03 1keg n LEU 181 Cb 0.52 0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 42.07 1keg n LEU 181 CO 0.36 -0.24 -0.07 0.42 -1.33 0.00 0.00 177.39 176.53 1keg s THR 182 N -2.27 5.28 0.28 -5.08 -4.23 -1.26 -2.05 115.64 106.30 1keg s THR 182 Ca 0.09 -0.84 -0.01 0.00 -1.18 0.00 0.00 61.69 59.76 1keg s THR 182 Cb 0.00 -3.79 0.28 0.00 1.34 0.00 0.00 72.50 70.33 1keg s THR 182 CO 0.07 -0.21 1.88 0.50 -0.54 0.00 0.00 174.62 176.32 1keg h LYS 183 N 1.68 1.06 0.59 3.99 3.64 -1.59 0.76 116.57 126.71 1keg h LYS 183 Ca -0.50 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 58.79 1keg h LYS 183 Cb 1.21 -0.24 0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1keg h LYS 183 CO 0.65 0.70 -0.28 -0.44 -2.27 0.00 0.00 179.45 177.81 1keg h ASP 184 N 1.10 -0.67 -0.95 4.20 3.32 -1.94 0.02 116.42 121.49 1keg h ASP 184 Ca 0.44 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.52 1keg h ASP 184 Cb 0.26 0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.94 1keg h ASP 184 CO -0.19 -0.45 0.63 -0.08 -1.72 0.00 0.00 179.24 177.43 1keg h GLU 185 N -0.82 1.22 -0.62 3.56 4.81 -1.88 -1.15 114.58 119.69 1keg h GLU 185 Ca -0.08 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.02 1keg h GLU 185 Cb 0.62 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 1keg h GLU 185 CO 0.13 0.80 0.16 -0.92 -0.73 0.00 0.00 179.01 178.46 1keg h TYR 186 N 1.25 1.04 0.00 0.92 3.20 -0.68 -2.89 116.97 119.80 1keg h TYR 186 Ca 0.36 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1keg h TYR 186 Cb -0.08 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 37.90 1keg h TYR 186 CO -0.00 0.86 0.00 0.93 -1.64 0.00 0.00 178.16 178.31 1keg h GLU 187 N 0.91 0.00 0.00 1.82 5.08 -0.29 -3.02 114.58 119.08 1keg h GLU 187 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1keg h GLU 187 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1keg h GLU 187 CO -0.00 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.55 1keg n ARG 188 N -2.82 0.38 -4.21 2.33 1.74 -0.50 -4.81 116.66 108.76 1keg n ARG 188 Ca 0.03 0.04 -0.16 0.00 -0.77 0.00 0.00 57.85 56.98 1keg n ARG 188 Cb 0.40 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.23 1keg n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1keg s HIS 189 N -2.56 1.25 -0.18 -1.55 3.76 -1.14 -5.10 115.29 109.77 1keg s HIS 189 Ca 0.25 -0.60 -0.01 0.00 -0.15 0.00 0.00 55.06 54.55 1keg s HIS 189 Cb 0.18 -0.66 -0.11 0.00 1.11 0.00 0.00 32.58 33.09 1keg s HIS 189 CO 0.40 0.08 -0.18 -1.71 -0.85 0.00 0.00 174.74 172.48 1keg n ASN 190 N 0.52 2.35 -4.70 1.40 5.15 -1.26 -4.83 115.26 113.89 1keg n ASN 190 Ca -0.16 -0.03 -0.35 0.00 -0.60 0.00 0.00 54.58 53.44 1keg n ASN 190 Cb 0.57 -0.34 -0.09 0.00 -0.53 0.00 0.00 39.78 39.40 1keg n ASN 190 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1keg s SER 191 N -5.95 5.68 -0.09 1.20 0.15 -1.26 -0.40 113.70 113.04 1keg s SER 191 Ca -0.25 0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.61 1keg s SER 191 Cb 0.07 -1.84 0.01 0.00 -1.71 0.00 0.00 66.02 62.55 1keg s SER 191 CO 0.40 0.29 -0.16 -0.31 1.20 0.00 0.00 173.24 174.66 1keg s TYR 192 N -0.32 1.86 -0.04 3.44 1.51 0.11 -0.92 117.35 122.98 1keg s TYR 192 Ca 0.09 -0.77 0.02 0.00 -1.01 0.00 0.00 57.07 55.41 1keg s TYR 192 Cb -0.12 -1.32 0.01 0.00 -0.11 0.00 0.00 41.96 40.42 1keg s TYR 192 CO 0.02 -0.37 -0.10 0.99 -1.11 0.00 0.00 175.55 174.97 1keg s THR 193 N 0.69 0.94 -0.25 -0.71 2.01 0.05 -1.24 115.64 117.13 1keg s THR 193 Ca -0.13 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.48 1keg s THR 193 Cb -0.16 -0.85 0.05 0.00 0.01 0.00 0.00 72.50 71.55 1keg s THR 193 CO 0.03 0.30 -0.12 0.00 -0.69 0.00 0.00 174.62 174.14 1keg s GLU 195 N 1.13 1.85 -0.00 0.00 -1.05 -0.58 -1.27 118.70 118.77 1keg s GLU 195 Ca -0.07 -0.80 0.05 0.00 -0.15 0.00 0.00 54.97 54.00 1keg s GLU 195 Cb -0.19 -1.77 -0.03 0.00 -0.44 0.00 0.00 34.13 31.70 1keg s GLU 195 CO -0.06 0.48 -0.16 0.00 0.95 0.00 0.00 175.26 176.47 1keg s ALA 196 N -0.51 2.64 -0.26 -0.84 0.00 0.20 -0.82 121.76 122.17 1keg s ALA 196 Ca 0.08 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.97 1keg s ALA 196 Cb -0.09 -0.86 0.05 0.00 0.00 0.00 0.00 23.12 22.21 1keg s ALA 196 CO -0.01 0.57 -0.08 0.95 0.00 0.00 0.00 175.76 177.19 1keg s THR 197 N -0.83 2.52 0.11 0.00 -4.23 -0.25 -0.16 115.64 112.79 1keg s THR 197 Ca 0.13 -1.41 0.05 0.00 -1.18 0.00 0.00 61.69 59.29 1keg s THR 197 Cb -0.11 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 1keg s THR 197 CO 0.03 0.03 -0.14 -2.28 -0.54 0.00 0.00 174.62 171.72 1keg s HIS 198 N 1.20 1.33 0.51 3.99 2.46 -1.26 -2.70 115.29 120.81 1keg s HIS 198 Ca -0.05 -0.54 0.42 0.00 0.47 0.00 0.00 55.06 55.35 1keg s HIS 198 Cb -0.19 -0.71 2.14 0.00 -0.13 0.00 0.00 32.58 33.70 1keg s HIS 198 CO -0.04 0.11 2.27 1.57 -2.47 0.00 0.00 174.74 176.17 1keg h LYS 199 N 3.70 0.00 0.00 2.88 2.10 -1.95 -2.46 116.57 120.84 1keg h LYS 199 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1keg h LYS 199 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1keg h LYS 199 CO 0.48 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.18 1keg n THR 200 N -3.08 0.00 -3.71 0.07 -2.24 -1.26 -4.72 114.28 99.33 1keg n THR 200 Ca -0.02 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.65 1keg n THR 200 Cb 0.14 -0.18 -0.11 0.00 -2.10 0.00 0.00 70.33 68.07 1keg n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1keg s SER 201 N -1.35 -0.45 0.13 3.42 0.15 -0.93 -4.92 113.70 109.75 1keg s SER 201 Ca 0.13 0.80 -0.09 0.00 0.70 0.00 0.00 55.95 57.49 1keg s SER 201 Cb 0.06 0.72 -0.08 0.00 -1.71 0.00 0.00 66.02 65.00 1keg s SER 201 CO 0.10 -0.17 1.36 0.71 1.20 0.00 0.00 173.24 176.44 1keg h THR 202 N 5.35 1.30 -2.45 6.45 1.35 -1.84 -3.42 112.91 119.64 1keg h THR 202 Ca -0.35 -1.97 -0.52 0.00 -0.55 0.00 0.00 66.41 63.02 1keg h THR 202 Cb 1.18 1.95 -0.03 0.00 -1.73 0.00 0.00 68.15 69.52 1keg h THR 202 CO 0.30 0.62 -0.47 -0.44 -0.25 0.00 0.00 175.52 175.28 1keg s SER 203 N -7.05 6.24 0.48 5.36 0.01 -1.26 -5.08 113.70 112.39 1keg s SER 203 Ca -0.09 0.10 -0.22 0.00 1.31 0.00 0.00 55.95 57.05 1keg s SER 203 Cb 0.09 -1.84 -0.07 0.00 0.21 0.00 0.00 66.02 64.41 1keg s SER 203 CO 0.89 0.02 1.16 -2.16 0.41 0.00 0.00 173.24 173.55 1keg s PRO 204 N -3.45 3.67 -0.35 12.44 0.04 -1.26 -4.86 135.00 141.23 1keg s PRO 204 Ca 0.34 1.74 -0.20 0.00 0.04 0.00 0.00 61.00 62.92 1keg s PRO 204 Cb -0.10 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1keg s PRO 204 CO 0.28 -0.62 0.63 0.42 0.04 0.00 0.00 177.00 177.75 1keg s ILE 205 N -1.59 4.90 0.04 0.56 1.01 0.77 -4.89 121.20 122.00 1keg s ILE 205 Ca 0.66 0.60 0.05 0.00 0.00 0.00 0.00 60.65 61.96 1keg s ILE 205 Cb -0.28 -4.06 -0.03 0.00 0.01 0.00 0.00 42.46 38.09 1keg s ILE 205 CO 0.33 -0.29 -0.11 -0.69 0.00 0.00 0.00 174.94 174.18 1keg s VAL 206 N 2.69 3.34 -0.14 2.92 1.01 -1.26 0.58 120.40 129.55 1keg s VAL 206 Ca 0.24 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1keg s VAL 206 Cb -0.15 -2.47 0.07 0.00 0.00 0.00 0.00 36.38 33.83 1keg s VAL 206 CO 0.14 0.30 0.19 -0.54 0.00 0.00 0.00 175.10 175.20 1keg s LYS 207 N -1.64 0.10 0.22 2.72 -0.14 -0.40 -5.01 119.74 115.59 1keg s LYS 207 Ca 0.18 0.43 0.03 0.00 -1.36 0.00 0.00 55.97 55.24 1keg s LYS 207 Cb -0.11 -0.66 -0.05 0.00 -1.68 0.00 0.00 37.83 35.33 1keg s LYS 207 CO 0.09 -0.45 -0.00 -1.54 -0.76 0.00 0.00 175.35 172.69 1keg s SER 208 N 2.31 1.66 -0.06 2.83 1.04 -1.26 -0.73 113.70 119.49 1keg s SER 208 Ca 0.04 -1.21 -0.25 0.00 0.48 0.00 0.00 55.95 55.02 1keg s SER 208 Cb -0.14 0.04 0.05 0.00 0.10 0.00 0.00 66.02 66.08 1keg s SER 208 CO -0.08 -0.53 0.55 0.72 0.98 0.00 0.00 173.24 174.88 1keg s PHE 209 N -3.48 -0.50 -0.23 5.02 -0.12 -0.37 -4.99 117.98 113.30 1keg s PHE 209 Ca 0.27 0.90 -0.06 0.00 -0.05 0.00 0.00 56.93 57.99 1keg s PHE 209 Cb 0.06 0.29 -0.02 0.00 -0.63 0.00 0.00 43.02 42.71 1keg s PHE 209 CO 0.07 -0.51 0.03 -0.80 -0.05 0.00 0.00 175.22 173.97 1keg s ASN 210 N -1.08 4.88 0.00 1.98 0.02 -1.26 -0.71 114.94 118.78 1keg s ASN 210 Ca -0.11 -0.24 0.09 0.00 -1.02 0.00 0.00 52.86 51.58 1keg s ASN 210 Cb -0.02 -1.86 0.50 0.00 0.02 0.00 0.00 41.25 39.89 1keg s ASN 210 CO 0.07 -0.01 1.05 -2.11 0.02 0.00 0.00 177.10 176.12 1keg n ARG 211 N 4.72 0.22 0.00 -0.60 1.85 0.47 -5.00 116.66 118.32 1keg n ARG 211 Ca -0.17 0.08 0.05 0.00 -1.00 0.00 0.00 57.85 56.81 1keg n ARG 211 Cb 0.51 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 30.47 1keg n ARG 211 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91