#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ggg h LYS 19 N 0.00 -0.08 -0.56 2.12 3.64 -2.05 -2.76 116.57 116.88 3ggg h LYS 19 Ca 0.00 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 3ggg h LYS 19 Cb 0.00 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.77 3ggg h LYS 19 CO 0.00 0.48 -0.33 0.09 -2.27 0.00 0.00 179.45 177.42 3ggg n ASN 20 N -4.77 -0.59 0.23 4.20 3.02 -1.26 -0.58 115.26 115.51 3ggg n ASN 20 Ca -0.07 1.07 -0.14 0.00 -0.03 0.00 0.00 54.58 55.40 3ggg n ASN 20 Cb 0.29 -0.17 -0.08 0.00 -0.61 0.00 0.00 39.78 39.21 3ggg n ASN 20 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3ggg h ILE 21 N 0.00 0.53 -0.96 2.41 5.03 -1.99 0.21 117.51 122.74 3ggg h ILE 21 Ca 0.09 -0.37 0.26 0.00 -0.12 0.00 0.00 64.86 64.71 3ggg h ILE 21 Cb 0.23 0.70 -0.13 0.00 -3.03 0.00 0.00 36.82 34.58 3ggg h ILE 21 CO -0.53 0.06 0.50 0.40 -0.68 0.00 0.00 178.15 177.91 3ggg h ILE 22 N -0.81 0.43 -0.09 -0.67 2.04 -1.19 0.19 117.51 117.40 3ggg h ILE 22 Ca -0.06 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 3ggg h ILE 22 Cb 0.55 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3ggg h ILE 22 CO 0.10 0.08 -0.12 0.11 0.00 0.00 0.00 178.15 178.31 3ggg h LYS 23 N 0.43 0.25 -0.46 2.37 1.57 -0.22 -2.30 116.57 118.21 3ggg h LYS 23 Ca 0.64 -0.14 0.09 0.00 -1.87 0.00 0.00 60.65 59.37 3ggg h LYS 23 Cb 1.29 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.52 3ggg h LYS 23 CO -0.54 0.70 -0.19 0.82 -0.57 0.00 0.00 179.45 179.66 3ggg h ILE 24 N -0.18 0.40 -0.50 1.86 2.04 0.70 -1.18 117.51 120.65 3ggg h ILE 24 Ca 0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 3ggg h ILE 24 Cb 0.66 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3ggg h ILE 24 CO 0.03 0.00 0.30 -0.07 0.00 0.00 0.00 178.15 178.41 3ggg h LEU 25 N -0.10 0.60 -0.05 1.44 -0.00 -0.63 -1.54 115.31 115.04 3ggg h LEU 25 Ca 0.22 -0.06 0.03 0.00 -0.00 0.00 0.00 57.88 58.07 3ggg h LEU 25 Cb 0.43 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 40.91 3ggg h LEU 25 CO -0.52 0.48 -0.12 0.50 -0.00 0.00 0.00 178.44 178.78 3ggg h LYS 26 N 0.67 -0.17 -0.48 1.13 3.64 -1.09 -2.43 116.57 117.85 3ggg h LYS 26 Ca 0.18 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.65 3ggg h LYS 26 Cb -0.01 0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 31.75 3ggg h LYS 26 CO -0.03 -0.12 -0.42 0.77 -2.27 0.00 0.00 179.45 177.38 3ggg h SER 27 N -0.18 -1.42 0.49 4.20 0.02 -0.47 -2.70 113.55 113.48 3ggg h SER 27 Ca 0.06 0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 61.20 3ggg h SER 27 Cb 0.26 0.64 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 3ggg h SER 27 CO -0.16 -0.35 -0.18 -0.07 -1.14 0.00 0.00 176.83 174.94 3ggg h LEU 28 N -0.28 0.00 -1.10 5.07 3.38 -1.16 -1.33 115.31 119.90 3ggg h LEU 28 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3ggg h LEU 28 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3ggg h LEU 28 CO -0.62 0.18 0.00 -0.24 0.09 0.00 0.00 178.44 177.85 3ggg n SER 29 N -3.65 1.70 -3.06 -0.43 2.88 -0.93 -4.13 113.62 106.00 3ggg n SER 29 Ca -0.01 -1.60 -0.16 0.00 -1.33 0.00 0.00 58.87 55.77 3ggg n SER 29 Cb 0.30 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 3ggg n SER 29 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 3ggg n MET 30 N 0.33 0.98 0.05 -1.46 2.81 -0.50 -4.75 117.12 114.58 3ggg n MET 30 Ca 0.18 -2.98 -0.18 0.00 -1.81 0.00 0.00 57.70 52.91 3ggg n MET 30 Cb 0.37 -1.52 -0.08 0.00 -0.71 0.00 0.00 33.22 31.28 3ggg n MET 30 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 3ggg h GLN 31 N 3.00 0.61 -4.03 0.03 4.20 -1.70 -3.42 115.11 113.80 3ggg h GLN 31 Ca 0.05 -0.65 -0.60 0.00 0.06 0.00 0.00 58.65 57.50 3ggg h GLN 31 Cb 1.01 0.18 -0.39 0.00 0.30 0.00 0.00 27.48 28.58 3ggg h GLN 31 CO 0.40 1.25 -0.76 -0.80 -0.67 0.00 0.00 178.83 178.25 3ggg s ASN 32 N -7.22 4.01 -0.07 1.46 0.01 -1.26 -1.03 114.94 110.84 3ggg s ASN 32 Ca -0.08 -1.52 -0.13 0.00 -0.71 0.00 0.00 52.86 50.42 3ggg s ASN 32 Cb 0.08 -1.09 -0.05 0.00 0.41 0.00 0.00 41.25 40.60 3ggg s ASN 32 CO 0.90 -0.34 0.34 -0.69 -1.51 0.00 0.00 177.10 175.80 3ggg s VAL 33 N 1.43 5.20 -0.18 1.60 1.01 -0.14 -0.76 120.40 128.56 3ggg s VAL 33 Ca 0.04 0.66 -0.01 0.00 0.00 0.00 0.00 61.98 62.67 3ggg s VAL 33 Cb -0.18 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 3ggg s VAL 33 CO -0.14 0.52 -0.11 -0.22 0.00 0.00 0.00 175.10 175.15 3ggg s LEU 34 N -0.59 2.64 -0.41 3.92 2.96 0.07 0.40 118.68 127.68 3ggg s LEU 34 Ca 0.21 -0.44 -0.19 0.00 -0.22 0.00 0.00 54.13 53.49 3ggg s LEU 34 Cb -0.15 -1.63 0.02 0.00 0.50 0.00 0.00 46.19 44.93 3ggg s LEU 34 CO 0.09 0.04 0.55 -0.63 -1.32 0.00 0.00 176.35 175.08 3ggg s ILE 35 N 1.08 4.95 -0.40 6.68 1.01 0.20 -0.79 121.20 133.93 3ggg s ILE 35 Ca 0.00 0.01 -0.18 0.00 0.00 0.00 0.00 60.65 60.48 3ggg s ILE 35 Cb -0.15 -4.10 0.01 0.00 0.01 0.00 0.00 42.46 38.24 3ggg s ILE 35 CO -0.03 -0.46 0.50 -0.69 0.00 0.00 0.00 174.94 174.27 3ggg s VAL 36 N 2.50 5.01 0.00 2.92 1.01 -0.98 -0.26 120.40 130.60 3ggg s VAL 36 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.15 3ggg s VAL 36 Cb -0.15 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.18 3ggg s VAL 36 CO 0.16 -0.38 0.00 0.61 0.00 0.00 0.00 175.10 175.49 3ggg n GLY 37 N 4.99 -1.21 3.22 4.51 0.00 0.41 -0.07 105.19 117.04 3ggg n GLY 37 Ca -0.05 -0.52 -0.44 0.00 0.00 0.00 0.00 46.02 45.01 3ggg n GLY 37 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ggg n VAL 38 N -0.02 4.47 -0.70 1.61 0.31 -1.26 -4.04 118.33 118.70 3ggg n VAL 38 Ca 0.00 -4.91 0.00 0.00 -0.01 0.00 0.00 64.34 59.42 3ggg n VAL 38 Cb 0.00 -2.41 0.00 0.00 -0.91 0.00 0.00 33.84 30.52 3ggg n VAL 38 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ggg n GLY 39 N 3.14 5.23 0.06 2.92 0.00 -1.26 -4.10 105.19 111.17 3ggg n GLY 39 Ca 0.34 -1.56 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 3ggg n GLY 39 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3ggg h PHE 40 N 0.00 0.05 -0.12 1.61 3.57 -1.87 0.14 116.94 120.32 3ggg h PHE 40 Ca 0.00 -0.01 -0.22 0.00 3.53 0.00 0.00 57.97 61.27 3ggg h PHE 40 Cb 0.00 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 38.73 3ggg h PHE 40 CO 0.00 0.33 -0.79 0.52 -2.23 0.00 0.00 178.31 176.14 3ggg h MET 41 N -0.25 0.68 -0.31 1.11 2.86 -1.90 -0.89 114.93 116.23 3ggg h MET 41 Ca 0.01 -0.57 -0.07 0.00 -2.06 0.00 0.00 59.70 57.01 3ggg h MET 41 Cb 0.31 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 3ggg h MET 41 CO 0.00 1.18 -0.08 0.78 1.06 0.00 0.00 176.91 179.85 3ggg h GLY 42 N 0.76 0.66 1.03 8.32 0.00 -1.69 0.32 103.07 112.46 3ggg h GLY 42 Ca -0.05 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 3ggg h GLY 42 CO 0.16 0.50 0.32 -1.33 0.00 0.00 0.00 176.54 176.19 3ggg h GLY 43 N 0.38 1.17 0.97 4.60 0.00 -0.77 0.37 103.07 109.79 3ggg h GLY 43 Ca 0.08 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.76 3ggg h GLY 43 CO 0.03 0.58 0.17 1.76 0.00 0.00 0.00 176.54 179.09 3ggg h SER 44 N 1.06 0.69 -0.12 0.19 0.02 -0.98 0.77 113.55 115.18 3ggg h SER 44 Ca 0.25 -0.19 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3ggg h SER 44 Cb 0.17 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 3ggg h SER 44 CO -0.03 0.69 -0.02 0.15 -1.14 0.00 0.00 176.83 176.48 3ggg h PHE 45 N 0.65 -0.05 -0.38 3.45 3.57 -0.79 0.21 116.94 123.60 3ggg h PHE 45 Ca 0.16 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.71 3ggg h PHE 45 Cb 0.23 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 3ggg h PHE 45 CO 0.01 -0.04 0.14 0.00 -2.23 0.00 0.00 178.31 176.19 3ggg h ALA 46 N 1.11 0.45 -0.50 2.41 0.00 -0.43 -1.02 119.26 121.29 3ggg h ALA 46 Ca 0.06 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3ggg h ALA 46 Cb 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3ggg h ALA 46 CO -0.11 -0.25 0.16 0.87 0.00 0.00 0.00 179.25 179.92 3ggg h LYS 47 N 0.30 0.76 -0.93 0.00 1.57 -0.77 -2.18 116.57 115.33 3ggg h LYS 47 Ca 0.17 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3ggg h LYS 47 Cb 0.14 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 3ggg h LYS 47 CO -0.17 0.71 0.56 0.77 -0.57 0.00 0.00 179.45 180.75 3ggg h SER 48 N 0.67 1.11 -0.25 0.86 0.02 -0.33 0.10 113.55 115.73 3ggg h SER 48 Ca 0.16 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3ggg h SER 48 Cb 0.26 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3ggg h SER 48 CO -0.01 0.85 0.03 0.25 -1.14 0.00 0.00 176.83 176.81 3ggg h LEU 49 N 1.28 0.42 -0.51 5.07 5.85 -1.00 -0.88 115.31 125.53 3ggg h LEU 49 Ca 0.33 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3ggg h LEU 49 Cb -0.06 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 3ggg h LEU 49 CO -0.06 0.59 0.21 -0.09 -0.34 0.00 0.00 178.44 178.75 3ggg h ARG 50 N 0.23 0.76 -0.84 1.25 9.65 -1.18 -2.21 114.38 122.04 3ggg h ARG 50 Ca 0.07 -0.13 0.07 0.00 -1.10 0.00 0.00 59.98 58.89 3ggg h ARG 50 Cb 0.36 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 28.76 3ggg h ARG 50 CO 0.01 0.67 0.55 -0.09 2.80 0.00 0.00 179.97 183.90 3ggg h ARG 51 N 0.69 0.89 0.00 0.20 2.43 -0.66 -2.21 114.38 115.72 3ggg h ARG 51 Ca 0.17 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3ggg h ARG 51 Cb 0.18 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3ggg h ARG 51 CO -0.02 0.59 0.00 -1.13 -1.51 0.00 0.00 179.97 177.90 3ggg n SER 52 N -4.49 0.00 0.00 -3.80 3.41 -0.35 -4.83 113.62 103.56 3ggg n SER 52 Ca 0.13 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 3ggg n SER 52 Cb 0.21 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 3ggg n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ggg n GLY 53 N 0.34 1.12 3.71 5.00 0.00 -0.83 -5.05 105.19 109.48 3ggg n GLY 53 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 3ggg n GLY 53 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3ggg n PHE 54 N -1.53 2.49 0.44 1.61 7.35 -1.09 -4.95 117.46 121.78 3ggg n PHE 54 Ca 0.00 0.44 0.05 0.00 -0.76 0.00 0.00 57.45 57.18 3ggg n PHE 54 Cb 0.00 -2.49 -0.00 0.00 0.35 0.00 0.00 39.48 37.34 3ggg n PHE 54 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 3ggg n LYS 55 N 1.27 2.09 -0.13 -4.13 5.02 -1.26 -4.76 118.16 116.27 3ggg n LYS 55 Ca 0.07 -0.60 0.00 0.00 -2.02 0.00 0.00 58.31 55.76 3ggg n LYS 55 Cb 0.35 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 3ggg n LYS 55 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ggg n GLY 56 N 0.89 -0.40 3.85 0.72 0.00 -1.26 -5.06 105.19 103.94 3ggg n GLY 56 Ca 0.04 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 3ggg n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ggg s LYS 57 N -1.50 3.96 -0.15 1.61 1.02 -0.20 -4.98 119.74 119.49 3ggg s LYS 57 Ca 0.00 0.50 0.00 0.00 0.02 0.00 0.00 55.97 56.50 3ggg s LYS 57 Cb 0.00 -2.70 0.03 0.00 -0.52 0.00 0.00 37.83 34.63 3ggg s LYS 57 CO 0.00 0.33 -0.13 0.42 -0.92 0.00 0.00 175.35 175.05 3ggg s ILE 58 N -1.72 1.54 0.19 2.17 1.01 -1.26 -0.97 121.20 122.15 3ggg s ILE 58 Ca 0.46 -0.66 0.07 0.00 0.00 0.00 0.00 60.65 60.51 3ggg s ILE 58 Cb -0.13 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 3ggg s ILE 58 CO 0.20 0.40 0.03 -0.31 0.00 0.00 0.00 174.94 175.26 3ggg s TYR 59 N 1.49 2.89 0.01 3.97 2.02 0.16 -0.01 117.35 127.88 3ggg s TYR 59 Ca 0.04 -0.12 0.08 0.00 -0.37 0.00 0.00 57.07 56.69 3ggg s TYR 59 Cb -0.13 -1.38 -0.02 0.00 -0.40 0.00 0.00 41.96 40.02 3ggg s TYR 59 CO -0.10 0.53 -0.23 0.20 -1.57 0.00 0.00 175.55 174.37 3ggg s GLY 60 N -3.09 1.18 -0.05 0.71 0.00 -0.68 0.61 107.32 106.00 3ggg s GLY 60 Ca 0.29 -1.06 0.02 0.00 0.00 0.00 0.00 44.72 43.97 3ggg s GLY 60 CO 0.20 -0.93 -0.11 -0.47 0.00 0.00 0.00 173.10 171.79 3ggg s TYR 61 N -0.65 1.29 0.01 1.90 5.04 0.63 -2.38 117.35 123.19 3ggg s TYR 61 Ca 0.09 -0.42 -0.19 0.00 -2.44 0.00 0.00 57.07 54.12 3ggg s TYR 61 Cb -0.09 -0.94 0.04 0.00 0.35 0.00 0.00 41.96 41.32 3ggg s TYR 61 CO 0.00 -0.21 0.42 0.34 -1.34 0.00 0.00 175.55 174.76 3ggg s ASP 62 N 0.49 -0.31 0.34 4.32 2.15 -1.02 -0.45 116.67 122.20 3ggg s ASP 62 Ca -0.10 0.13 0.24 0.00 0.43 0.00 0.00 52.55 53.24 3ggg s ASP 62 Cb -0.13 0.40 0.37 0.00 -0.30 0.00 0.00 42.92 43.26 3ggg s ASP 62 CO 0.02 -0.59 1.53 -0.29 -0.17 0.00 0.00 175.17 175.67 3ggg h ILE 63 N 3.28 0.00 -3.72 4.11 2.10 -1.88 -3.36 117.51 118.05 3ggg h ILE 63 Ca -0.30 -0.87 -0.65 0.00 1.08 0.00 0.00 64.86 64.12 3ggg h ILE 63 Cb 1.19 1.76 -0.21 0.00 -1.09 0.00 0.00 36.82 38.47 3ggg h ILE 63 CO 0.42 0.00 -0.59 0.21 -1.08 0.00 0.00 178.15 177.10 3ggg s ASN 64 N -5.63 5.40 0.37 2.19 3.84 -1.26 -4.97 114.94 114.88 3ggg s ASN 64 Ca 0.06 -0.15 0.17 0.00 0.21 0.00 0.00 52.86 53.15 3ggg s ASN 64 Cb 0.08 -1.98 0.72 0.00 -0.55 0.00 0.00 41.25 39.51 3ggg s ASN 64 CO 0.68 -0.04 1.77 1.55 -2.79 0.00 0.00 177.10 178.27 3ggg h PRO 65 N 8.28 0.00 -0.82 0.43 0.13 -1.97 -2.48 132.00 135.56 3ggg h PRO 65 Ca -0.37 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.74 3ggg h PRO 65 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 3ggg h PRO 65 CO 0.57 0.39 0.45 1.49 -0.23 0.00 0.00 178.00 180.67 3ggg h GLU 66 N 0.00 1.14 -0.67 0.86 4.57 -1.98 -1.05 114.58 117.45 3ggg h GLU 66 Ca -0.00 -0.13 0.04 0.00 -1.18 0.00 0.00 59.36 58.09 3ggg h GLU 66 Cb 0.82 -0.23 -0.05 0.00 -0.16 0.00 0.00 28.75 29.14 3ggg h GLU 66 CO 0.05 0.83 0.40 0.77 -1.18 0.00 0.00 179.01 179.88 3ggg h SER 67 N 1.15 0.63 0.38 1.04 0.02 -1.77 -1.03 113.55 113.97 3ggg h SER 67 Ca 0.29 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.24 3ggg h SER 67 Cb 0.02 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.45 3ggg h SER 67 CO -0.05 0.42 -0.18 0.40 -1.14 0.00 0.00 176.83 176.28 3ggg h ILE 68 N 0.76 0.56 -0.59 3.27 1.08 -1.38 -1.95 117.51 119.26 3ggg h ILE 68 Ca 0.28 -0.52 -0.01 0.00 -0.39 0.00 0.00 64.86 64.22 3ggg h ILE 68 Cb 0.10 0.80 -0.03 0.00 -3.07 0.00 0.00 36.82 34.61 3ggg h ILE 68 CO -0.14 0.09 0.32 0.77 -0.69 0.00 0.00 178.15 178.50 3ggg h SER 69 N -0.83 0.74 -0.44 1.72 4.64 -1.19 -0.31 113.55 117.89 3ggg h SER 69 Ca -0.05 -0.10 0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3ggg h SER 69 Cb 0.54 -0.19 -0.06 0.00 -0.31 0.00 0.00 62.40 62.37 3ggg h SER 69 CO 0.09 0.63 0.06 0.11 -0.87 0.00 0.00 176.83 176.85 3ggg h LYS 70 N 0.81 0.18 -0.61 4.77 1.57 -1.26 0.11 116.57 122.13 3ggg h LYS 70 Ca 0.21 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.91 3ggg h LYS 70 Cb 0.05 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3ggg h LYS 70 CO -0.03 0.12 0.10 0.00 -0.57 0.00 0.00 179.45 179.07 3ggg h ALA 71 N 1.35 0.81 -0.04 3.86 0.00 -0.61 -1.09 119.26 123.54 3ggg h ALA 71 Ca 0.22 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3ggg h ALA 71 Cb 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3ggg h ALA 71 CO -0.30 0.56 -0.03 0.28 0.00 0.00 0.00 179.25 179.76 3ggg h VAL 72 N 0.92 0.91 -0.31 0.00 2.07 -0.90 -0.02 116.25 118.92 3ggg h VAL 72 Ca 0.19 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.76 3ggg h VAL 72 Cb 0.42 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3ggg h VAL 72 CO 0.01 0.00 0.21 0.44 0.02 0.00 0.00 177.57 178.26 3ggg h ASP 73 N -0.03 0.14 -0.04 0.57 3.32 -0.44 -0.15 116.42 119.80 3ggg h ASP 73 Ca 0.03 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3ggg h ASP 73 Cb 0.07 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3ggg h ASP 73 CO -0.06 0.10 0.00 0.18 -1.72 0.00 0.00 179.24 177.73 3ggg n LEU 74 N -4.48 1.65 -2.17 1.55 4.77 -0.44 -4.96 117.00 112.92 3ggg n LEU 74 Ca 0.04 -0.57 -0.17 0.00 -0.03 0.00 0.00 56.01 55.27 3ggg n LEU 74 Cb 0.27 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.35 3ggg n LEU 74 CO 0.35 0.28 -0.12 0.61 -1.33 0.00 0.00 177.39 177.18 3ggg n GLY 75 N 1.19 -0.31 0.14 -0.72 0.00 -0.07 -4.90 105.19 100.52 3ggg n GLY 75 Ca 0.18 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 3ggg n GLY 75 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3ggg n ILE 76 N -4.13 1.77 -4.38 -0.61 5.41 -0.08 -4.90 119.36 112.44 3ggg n ILE 76 Ca -0.15 -0.62 -0.28 0.00 1.00 0.00 0.00 62.75 62.70 3ggg n ILE 76 Cb 0.63 -1.75 -0.13 0.00 -0.71 0.00 0.00 39.64 37.68 3ggg n ILE 76 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 3ggg s ILE 77 N -2.55 2.20 0.33 1.39 -4.36 -1.21 -4.69 121.20 112.30 3ggg s ILE 77 Ca -0.23 -1.80 0.08 0.00 -0.26 0.00 0.00 60.65 58.44 3ggg s ILE 77 Cb 0.07 -1.97 0.08 0.00 1.25 0.00 0.00 42.46 41.89 3ggg s ILE 77 CO 0.76 0.01 1.78 0.44 0.24 0.00 0.00 174.94 178.17 3ggg h ASP 78 N 3.73 0.24 -3.41 4.36 3.32 -0.78 -3.39 116.42 120.48 3ggg h ASP 78 Ca -0.49 -0.08 0.26 0.00 0.02 0.00 0.00 57.03 56.74 3ggg h ASP 78 Cb 1.18 -0.06 -0.25 0.00 0.22 0.00 0.00 39.33 40.41 3ggg h ASP 78 CO 0.42 0.54 0.95 -0.70 -1.72 0.00 0.00 179.24 178.72 3ggg s GLU 79 N -4.36 0.07 0.19 3.56 2.12 -1.25 -5.01 118.70 114.01 3ggg s GLU 79 Ca -0.05 0.00 -0.06 0.00 0.36 0.00 0.00 54.97 55.23 3ggg s GLU 79 Cb 0.14 0.03 0.02 0.00 0.26 0.00 0.00 34.13 34.59 3ggg s GLU 79 CO 0.76 -0.03 0.35 0.41 -0.54 0.00 0.00 175.26 176.21 3ggg n GLY 80 N 0.36 1.80 3.45 -1.50 0.00 -1.26 -1.69 105.19 106.35 3ggg n GLY 80 Ca 0.01 -1.23 -0.11 0.00 0.00 0.00 0.00 46.02 44.70 3ggg n GLY 80 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ggg s THR 81 N -2.58 0.00 -2.26 2.61 -1.32 -1.00 -4.94 115.64 106.15 3ggg s THR 81 Ca 0.09 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 60.77 3ggg s THR 81 Cb -0.02 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.09 3ggg s THR 81 CO 0.07 0.00 1.08 0.35 -2.21 0.00 0.00 174.62 173.91 3ggg n THR 82 N -0.28 0.00 -3.86 5.08 -2.24 -1.26 -2.43 114.28 109.30 3ggg n THR 82 Ca -0.14 -0.45 -0.36 0.00 -2.27 0.00 0.00 64.05 60.83 3ggg n THR 82 Cb 0.64 1.36 -0.11 0.00 -2.10 0.00 0.00 70.33 70.11 3ggg n THR 82 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ggg s SER 83 N -1.75 5.43 0.35 3.42 0.15 -1.26 -4.78 113.70 115.26 3ggg s SER 83 Ca 0.21 -0.07 0.09 0.00 0.70 0.00 0.00 55.95 56.88 3ggg s SER 83 Cb 0.16 -1.96 0.65 0.00 -1.71 0.00 0.00 66.02 63.16 3ggg s SER 83 CO 0.30 0.05 1.82 -0.29 1.20 0.00 0.00 173.24 176.32 3ggg h ILE 84 N 5.25 1.24 -0.58 6.45 6.09 -1.96 -2.50 117.51 131.50 3ggg h ILE 84 Ca -0.37 -1.15 -0.06 0.00 -1.37 0.00 0.00 64.86 61.91 3ggg h ILE 84 Cb 1.18 1.48 -0.03 0.00 0.47 0.00 0.00 36.82 39.92 3ggg h ILE 84 CO 0.62 0.35 0.13 0.00 -3.07 0.00 0.00 178.15 176.18 3ggg h ALA 85 N 1.54 1.15 0.00 0.18 0.00 -1.99 -1.39 119.26 118.75 3ggg h ALA 85 Ca 0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3ggg h ALA 85 Cb 0.59 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3ggg h ALA 85 CO 0.04 0.57 -0.01 -0.22 0.00 0.00 0.00 179.25 179.63 3ggg h LYS 86 N 0.86 0.00 -0.91 0.00 3.64 -1.88 -2.26 116.57 116.02 3ggg h LYS 86 Ca 0.19 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.73 3ggg h LYS 86 Cb 0.32 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.06 3ggg h LYS 86 CO -0.00 0.01 0.58 0.28 -2.27 0.00 0.00 179.45 178.06 3ggg h VAL 87 N 0.00 0.79 -0.98 2.00 2.07 -1.27 -1.29 116.25 117.57 3ggg h VAL 87 Ca -0.00 -0.22 0.22 0.00 0.82 0.00 0.00 66.70 67.52 3ggg h VAL 87 Cb 0.27 0.09 -0.09 0.00 -1.52 0.00 0.00 31.29 30.04 3ggg h VAL 87 CO 0.00 0.12 0.63 -0.08 0.02 0.00 0.00 177.57 178.25 3ggg h GLU 88 N 0.64 0.49 0.00 1.57 4.81 -1.58 0.30 114.58 120.82 3ggg h GLU 88 Ca 0.47 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.63 3ggg h GLU 88 Cb 0.84 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 3ggg h GLU 88 CO -0.22 0.33 -0.16 -0.44 -0.73 0.00 0.00 179.01 177.78 3ggg h ASP 89 N 0.51 0.00 1.15 1.04 3.32 -1.44 -1.69 116.42 119.30 3ggg h ASP 89 Ca 0.54 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.59 3ggg h ASP 89 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3ggg h ASP 89 CO -0.27 0.16 0.00 -0.26 -1.72 0.00 0.00 179.24 177.15 3ggg h PHE 90 N 0.00 0.00 -7.00 4.55 0.04 -0.47 -3.48 116.94 110.58 3ggg h PHE 90 Ca -0.00 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.20 3ggg h PHE 90 Cb 0.45 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.56 3ggg h PHE 90 CO 0.00 0.00 -0.95 0.43 -0.60 0.00 0.00 178.31 177.19 3ggg n SER 91 N -2.84 -3.34 -4.77 2.17 7.64 -0.64 -4.85 113.62 107.00 3ggg n SER 91 Ca 0.02 -1.23 -0.39 0.00 1.01 0.00 0.00 58.87 58.27 3ggg n SER 91 Cb 0.33 -1.48 -0.01 0.00 -1.01 0.00 0.00 64.21 62.05 3ggg n SER 91 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3ggg s PRO 92 N -7.34 3.99 0.00 1.43 0.05 -1.26 -4.71 135.00 127.16 3ggg s PRO 92 Ca 0.42 2.09 0.05 0.00 0.05 0.00 0.00 61.00 63.61 3ggg s PRO 92 Cb -0.23 -2.75 0.00 0.00 0.05 0.00 0.00 34.50 31.57 3ggg s PRO 92 CO 0.92 -0.45 0.46 -0.40 0.05 0.00 0.00 177.00 177.58 3ggg n ASP 93 N 0.13 0.91 -3.44 6.66 5.68 0.06 -4.69 116.55 121.86 3ggg n ASP 93 Ca 0.04 -0.95 -0.08 0.00 -0.50 0.00 0.00 54.79 53.29 3ggg n ASP 93 Cb 0.44 0.42 -0.08 0.00 -1.14 0.00 0.00 41.12 40.76 3ggg n ASP 93 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 3ggg s PHE 94 N -0.83 -0.87 -0.08 2.11 5.36 -1.11 -1.50 117.98 121.06 3ggg s PHE 94 Ca 0.04 1.12 0.04 0.00 -0.96 0.00 0.00 56.93 57.17 3ggg s PHE 94 Cb 0.04 0.15 -0.01 0.00 -0.34 0.00 0.00 43.02 42.86 3ggg s PHE 94 CO 0.11 -0.65 -0.21 0.08 -1.46 0.00 0.00 175.22 173.09 3ggg s VAL 95 N 2.59 2.42 -0.29 3.12 1.01 0.02 -0.75 120.40 128.52 3ggg s VAL 95 Ca 0.09 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.16 3ggg s VAL 95 Cb -0.14 -1.93 0.06 0.00 0.00 0.00 0.00 36.38 34.36 3ggg s VAL 95 CO -0.15 0.56 -0.04 -0.32 0.00 0.00 0.00 175.10 175.15 3ggg s MET 96 N 0.02 2.27 -0.10 2.72 1.75 0.03 -0.40 119.30 125.59 3ggg s MET 96 Ca -0.08 -1.36 -0.30 0.00 -1.25 0.00 0.00 55.69 52.71 3ggg s MET 96 Cb -0.15 -3.06 -0.02 0.00 2.84 0.00 0.00 34.83 34.44 3ggg s MET 96 CO 0.05 -0.63 1.12 -0.51 -0.65 0.00 0.00 175.02 174.39 3ggg s LEU 97 N 1.16 4.24 0.00 4.11 1.43 0.78 -2.31 118.68 128.08 3ggg s LEU 97 Ca -0.05 1.65 0.13 0.00 -1.03 0.00 0.00 54.13 54.83 3ggg s LEU 97 Cb -0.20 -3.55 0.22 0.00 0.03 0.00 0.00 46.19 42.68 3ggg s LEU 97 CO -0.03 -0.55 1.04 -1.20 0.23 0.00 0.00 176.35 175.83 3ggg n SER 98 N 5.36 0.29 -3.88 2.29 7.64 0.90 -1.03 113.62 125.18 3ggg n SER 98 Ca 0.10 -1.92 -0.12 0.00 1.01 0.00 0.00 58.87 57.95 3ggg n SER 98 Cb 0.47 -0.13 0.04 0.00 -1.01 0.00 0.00 64.21 63.59 3ggg n SER 98 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3ggg n SER 99 N 0.25 1.34 -4.75 6.43 3.41 -1.09 -4.56 113.62 114.65 3ggg n SER 99 Ca -0.03 -1.98 -0.38 0.00 -0.26 0.00 0.00 58.87 56.22 3ggg n SER 99 Cb 0.91 -0.27 0.04 0.00 -0.26 0.00 0.00 64.21 64.63 3ggg n SER 99 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 3ggg s PRO 100 N -3.68 3.07 0.36 4.33 0.02 -1.26 -4.88 135.00 132.96 3ggg s PRO 100 Ca 0.39 2.10 0.05 0.00 0.02 0.00 0.00 61.00 63.56 3ggg s PRO 100 Cb -0.03 -2.15 0.69 0.00 0.02 0.00 0.00 34.50 33.04 3ggg s PRO 100 CO 0.25 -1.20 1.94 -0.24 -0.33 0.00 0.00 177.00 177.41 3ggg h VAL 101 N 1.24 1.17 0.00 3.83 3.04 -1.91 -1.07 116.25 122.55 3ggg h VAL 101 Ca -0.51 -0.60 0.00 0.00 -1.01 0.00 0.00 66.70 64.59 3ggg h VAL 101 Cb 1.30 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 3ggg h VAL 101 CO 0.56 0.21 0.00 0.54 -1.01 0.00 0.00 177.57 177.88 3ggg n ARG 102 N -4.34 0.43 0.04 4.17 1.74 -1.26 -2.44 116.66 115.00 3ggg n ARG 102 Ca 0.02 0.06 0.12 0.00 -0.77 0.00 0.00 57.85 57.28 3ggg n ARG 102 Cb 0.19 -1.50 0.28 0.00 -1.02 0.00 0.00 32.46 30.40 3ggg n ARG 102 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3ggg n THR 103 N -1.17 0.26 -0.06 0.55 -2.24 -0.40 -4.50 114.28 106.71 3ggg n THR 103 Ca 0.12 -0.17 -0.11 0.00 -2.27 0.00 0.00 64.05 61.62 3ggg n THR 103 Cb 0.12 -0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.17 3ggg n THR 103 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3ggg h PHE 104 N 0.00 0.33 -0.09 4.78 -1.00 -1.61 -2.61 116.94 116.73 3ggg h PHE 104 Ca 0.00 -0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.79 3ggg h PHE 104 Cb 0.65 -0.10 -0.05 0.00 3.61 0.00 0.00 35.95 40.06 3ggg h PHE 104 CO 0.00 0.38 -0.25 0.00 -1.61 0.00 0.00 178.31 176.83 3ggg h ARG 105 N 0.18 -0.33 -0.12 1.51 3.08 -1.81 0.25 114.38 117.14 3ggg h ARG 105 Ca 0.07 0.02 -0.22 0.00 0.07 0.00 0.00 59.98 59.92 3ggg h ARG 105 Cb 0.20 0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.33 3ggg h ARG 105 CO -0.00 -0.22 -0.80 1.49 -1.07 0.00 0.00 179.97 179.36 3ggg h GLU 106 N -0.34 0.70 -0.32 0.04 4.57 -1.85 -0.48 114.58 116.89 3ggg h GLU 106 Ca 0.09 -0.59 0.05 0.00 -1.18 0.00 0.00 59.36 57.73 3ggg h GLU 106 Cb 0.47 0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 29.14 3ggg h GLU 106 CO -0.28 1.20 0.01 0.82 -1.18 0.00 0.00 179.01 179.58 3ggg h ILE 107 N 0.47 0.78 -0.24 2.32 2.04 -1.42 -2.53 117.51 118.93 3ggg h ILE 107 Ca -0.06 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 65.80 3ggg h ILE 107 Cb 1.42 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 3ggg h ILE 107 CO 0.16 0.02 0.01 0.00 0.00 0.00 0.00 178.15 178.34 3ggg h ALA 108 N 1.27 0.22 -0.96 1.87 0.00 -0.23 -0.64 119.26 120.79 3ggg h ALA 108 Ca 0.15 0.06 0.21 0.00 0.00 0.00 0.00 54.91 55.34 3ggg h ALA 108 Cb 0.20 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 17.97 3ggg h ALA 108 CO -0.25 -0.41 0.53 0.87 0.00 0.00 0.00 179.25 179.99 3ggg h LYS 109 N 0.09 0.58 -0.11 0.00 1.57 -0.89 0.43 116.57 118.24 3ggg h LYS 109 Ca 0.11 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 3ggg h LYS 109 Cb 0.13 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3ggg h LYS 109 CO -0.18 0.38 -0.44 0.87 -0.57 0.00 0.00 179.45 179.52 3ggg h LYS 110 N 0.60 0.50 -0.60 3.15 1.79 -0.81 -3.12 116.57 118.08 3ggg h LYS 110 Ca 0.58 -0.38 -0.01 0.00 -2.18 0.00 0.00 60.65 58.66 3ggg h LYS 110 Cb 1.02 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.71 3ggg h LYS 110 CO -0.45 1.01 0.35 -0.07 -1.08 0.00 0.00 179.45 179.21 3ggg h LEU 111 N 0.09 0.73 -2.23 2.94 3.38 0.10 -2.55 115.31 117.78 3ggg h LEU 111 Ca -0.02 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.93 3ggg h LEU 111 Cb 1.07 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 3ggg h LEU 111 CO 0.09 0.58 0.10 0.77 0.09 0.00 0.00 178.44 180.07 3ggg h SER 112 N 0.83 0.00 0.78 -0.43 4.64 -0.90 0.49 113.55 118.96 3ggg h SER 112 Ca 0.22 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.29 3ggg h SER 112 Cb -0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 3ggg h SER 112 CO -0.04 0.00 -1.30 1.88 -0.87 0.00 0.00 176.83 176.50 3ggg h TYR 113 N 0.00 0.01 0.00 4.77 0.99 -1.58 -3.38 116.97 117.78 3ggg h TYR 113 Ca 0.05 -0.01 -0.35 0.00 2.00 0.00 0.00 58.73 60.42 3ggg h TYR 113 Cb 0.25 -0.00 -0.07 0.00 1.00 0.00 0.00 36.73 37.92 3ggg h TYR 113 CO 0.00 1.01 -2.24 -0.89 -0.00 0.00 0.00 178.16 176.04 3ggg n ILE 114 N -3.23 1.43 -3.25 -2.88 2.08 -0.30 -4.94 119.36 108.27 3ggg n ILE 114 Ca -0.07 -0.85 -0.33 0.00 0.56 0.00 0.00 62.75 62.06 3ggg n ILE 114 Cb 0.99 -0.58 -0.06 0.00 -0.75 0.00 0.00 39.64 39.24 3ggg n ILE 114 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3ggg s LEU 115 N -5.61 4.18 0.66 1.39 1.43 0.16 -4.82 118.68 116.07 3ggg s LEU 115 Ca -0.09 1.16 -0.12 0.00 -1.03 0.00 0.00 54.13 54.06 3ggg s LEU 115 Cb 0.06 -3.75 -0.01 0.00 0.03 0.00 0.00 46.19 42.52 3ggg s LEU 115 CO 0.83 -0.08 1.05 -0.94 0.23 0.00 0.00 176.35 177.44 3ggg s SER 116 N -2.11 5.62 0.52 2.29 1.04 -1.26 -4.89 113.70 114.91 3ggg s SER 116 Ca 0.48 1.61 0.23 0.00 0.48 0.00 0.00 55.95 58.75 3ggg s SER 116 Cb -0.12 -2.50 1.35 0.00 0.10 0.00 0.00 66.02 64.85 3ggg s SER 116 CO 0.19 -1.28 2.02 -0.08 0.98 0.00 0.00 173.24 175.07 3ggg h GLU 117 N -0.42 0.03 -0.00 4.02 4.81 -1.97 -2.60 114.58 118.44 3ggg h GLU 117 Ca -0.44 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3ggg h GLU 117 Cb 1.21 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3ggg h GLU 117 CO 0.58 0.02 -0.23 -0.25 -0.73 0.00 0.00 179.01 178.39 3ggg n ASP 118 N -4.41 0.54 -4.79 1.04 8.00 -1.26 -4.75 116.55 110.92 3ggg n ASP 118 Ca 0.08 -0.41 -0.32 0.00 0.71 0.00 0.00 54.79 54.86 3ggg n ASP 118 Cb 0.51 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.67 3ggg n ASP 118 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ggg s ALA 119 N -2.70 2.51 -0.12 2.24 0.00 -0.98 -5.04 121.76 117.67 3ggg s ALA 119 Ca 0.21 0.25 -0.01 0.00 0.00 0.00 0.00 51.96 52.41 3ggg s ALA 119 Cb 0.19 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 3ggg s ALA 119 CO 0.55 -1.36 -0.07 0.99 0.00 0.00 0.00 175.76 175.87 3ggg s THR 120 N -2.82 3.61 -0.18 0.00 2.01 -0.56 -4.51 115.64 113.19 3ggg s THR 120 Ca 0.61 -0.48 -0.01 0.00 0.31 0.00 0.00 61.69 62.12 3ggg s THR 120 Cb -0.16 -2.53 -0.00 0.00 0.01 0.00 0.00 72.50 69.81 3ggg s THR 120 CO 0.51 0.53 -0.11 -0.69 -0.69 0.00 0.00 174.62 174.17 3ggg s VAL 121 N 0.00 2.89 0.28 3.82 1.01 0.52 -0.80 120.40 128.11 3ggg s VAL 121 Ca -0.01 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.33 3ggg s VAL 121 Cb -0.14 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 3ggg s VAL 121 CO 0.03 0.48 0.11 1.07 0.00 0.00 0.00 175.10 176.80 3ggg n THR 122 N 4.41 0.00 -3.88 3.92 5.66 0.46 -1.53 114.28 123.32 3ggg n THR 122 Ca -0.19 -1.68 -0.10 0.00 -3.05 0.00 0.00 64.05 59.04 3ggg n THR 122 Cb 0.51 0.63 -0.06 0.00 -1.55 0.00 0.00 70.33 69.86 3ggg n THR 122 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3ggg s ASP 123 N -2.75 -0.05 -0.00 1.09 -4.77 -1.24 -0.16 116.67 108.79 3ggg s ASP 123 Ca 0.16 -0.73 0.08 0.00 -3.30 0.00 0.00 52.55 48.76 3ggg s ASP 123 Cb 0.01 0.48 0.22 0.00 -1.09 0.00 0.00 42.92 42.53 3ggg s ASP 123 CO 0.11 -0.93 1.18 0.00 0.70 0.00 0.00 175.17 176.23 3ggg n GLN 124 N -0.25 2.91 -2.04 2.11 6.02 -0.19 -3.53 117.38 122.41 3ggg n GLN 124 Ca -0.09 -1.89 -0.37 0.00 -0.01 0.00 0.00 57.00 54.64 3ggg n GLN 124 Cb 0.63 -1.19 0.02 0.00 1.02 0.00 0.00 30.24 30.72 3ggg n GLN 124 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3ggg s GLY 125 N -1.01 2.78 0.00 1.08 0.00 -1.21 -4.49 107.32 104.46 3ggg s GLY 125 Ca 0.16 1.06 0.29 0.00 0.00 0.00 0.00 44.72 46.23 3ggg s GLY 125 CO 0.11 1.49 1.99 1.44 0.00 0.00 0.00 173.10 178.13 3ggg n SER 126 N -1.18 0.00 -4.29 1.64 7.64 -1.26 -4.38 113.62 111.80 3ggg n SER 126 Ca 0.11 -0.16 -0.28 0.00 1.01 0.00 0.00 58.87 59.55 3ggg n SER 126 Cb 0.48 -0.27 -0.14 0.00 -1.01 0.00 0.00 64.21 63.27 3ggg n SER 126 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3ggg s VAL 127 N -2.54 1.87 0.00 0.44 1.01 -1.26 -5.00 120.40 114.92 3ggg s VAL 127 Ca 0.28 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 61.01 3ggg s VAL 127 Cb 0.19 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.97 3ggg s VAL 127 CO 0.43 0.30 0.00 0.29 0.00 0.00 0.00 175.10 176.12 3ggg n LYS 128 N 1.88 0.00 0.00 2.72 4.76 -1.26 -4.90 118.16 121.36 3ggg n LYS 128 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 3ggg n LYS 128 Cb 0.53 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.72 3ggg n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ggg n GLY 129 N 3.78 2.17 0.25 0.72 0.00 -0.29 -2.33 105.19 109.48 3ggg n GLY 129 Ca 0.00 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.69 3ggg n GLY 129 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3ggg h LYS 130 N 0.00 0.00 -0.97 1.61 2.10 -1.94 -1.46 116.57 115.91 3ggg h LYS 130 Ca 0.00 0.00 0.09 0.00 -2.00 0.00 0.00 60.65 58.74 3ggg h LYS 130 Cb 0.00 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.26 3ggg h LYS 130 CO 0.00 0.07 0.62 1.25 -2.00 0.00 0.00 179.45 179.39 3ggg h LEU 131 N 0.00 0.94 -0.17 7.07 5.85 -1.84 0.12 115.31 127.28 3ggg h LEU 131 Ca -0.00 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3ggg h LEU 131 Cb 0.12 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 3ggg h LEU 131 CO 0.01 0.56 -0.11 0.58 -0.34 0.00 0.00 178.44 179.13 3ggg h VAL 132 N 1.04 0.67 -0.18 1.05 2.07 -1.30 0.98 116.25 120.57 3ggg h VAL 132 Ca 0.44 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.96 3ggg h VAL 132 Cb 0.33 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3ggg h VAL 132 CO -0.20 0.00 0.10 1.88 0.02 0.00 0.00 177.57 179.37 3ggg h TYR 133 N -0.11 0.24 -0.81 1.57 0.05 -1.33 0.37 116.97 116.95 3ggg h TYR 133 Ca 0.10 -0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.92 3ggg h TYR 133 Cb 0.26 -0.08 -0.05 0.00 1.01 0.00 0.00 36.73 37.87 3ggg h TYR 133 CO -0.25 0.22 0.50 -0.44 -1.05 0.00 0.00 178.16 177.14 3ggg h ASP 134 N 0.19 0.81 0.25 3.88 3.32 -0.60 -1.04 116.42 123.23 3ggg h ASP 134 Ca 0.06 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 3ggg h ASP 134 Cb 0.06 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3ggg h ASP 134 CO -0.01 0.54 -0.57 -0.07 -1.72 0.00 0.00 179.24 177.41 3ggg h LEU 135 N 0.95 0.37 -0.62 1.55 3.38 -0.11 -1.98 115.31 118.85 3ggg h LEU 135 Ca 0.34 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 3ggg h LEU 135 Cb 0.09 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3ggg h LEU 135 CO -0.14 0.85 -0.01 -0.33 0.09 0.00 0.00 178.44 178.90 3ggg h GLU 136 N 0.25 1.08 -0.30 1.13 5.08 -0.47 0.46 114.58 121.80 3ggg h GLU 136 Ca 0.00 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 57.94 3ggg h GLU 136 Cb 1.07 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 3ggg h GLU 136 CO 0.09 1.05 -0.10 -0.91 -1.00 0.00 0.00 179.01 178.14 3ggg h ASN 137 N 0.98 0.49 -0.01 1.42 -0.26 -0.95 0.11 115.58 117.36 3ggg h ASN 137 Ca 0.17 -0.12 -0.19 0.00 -0.56 0.00 0.00 56.30 55.60 3ggg h ASN 137 Cb 0.57 -0.13 0.01 0.00 -1.06 0.00 0.00 38.32 37.72 3ggg h ASN 137 CO 0.03 0.63 -0.72 0.40 -1.06 0.00 0.00 177.43 176.71 3ggg h ILE 138 N 0.47 1.38 -0.01 2.81 2.04 -1.09 -3.38 117.51 119.73 3ggg h ILE 138 Ca 0.09 -2.10 0.00 0.00 1.00 0.00 0.00 64.86 63.85 3ggg h ILE 138 Cb 0.47 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 3ggg h ILE 138 CO 0.03 0.63 -0.76 0.18 0.00 0.00 0.00 178.15 178.23 3ggg n LEU 139 N -4.11 1.41 0.00 1.44 4.77 0.13 -4.85 117.00 115.78 3ggg n LEU 139 Ca -0.10 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 3ggg n LEU 139 Cb 0.73 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 3ggg n LEU 139 CO 0.49 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 3ggg n GLY 140 N 1.45 2.20 0.09 -0.72 0.00 0.39 -2.95 105.19 105.64 3ggg n GLY 140 Ca 0.06 -0.50 0.05 0.00 0.00 0.00 0.00 46.02 45.64 3ggg n GLY 140 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ggg n LYS 141 N 10.21 0.07 0.24 1.61 4.76 -1.26 -2.91 118.16 130.87 3ggg n LYS 141 Ca 0.00 0.54 0.09 0.00 -2.87 0.00 0.00 58.31 56.06 3ggg n LYS 141 Cb 0.00 -1.79 0.61 0.00 -1.84 0.00 0.00 35.03 32.01 3ggg n LYS 141 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ggg h ARG 142 N 0.00 0.00 -5.65 1.97 3.08 -1.76 -3.41 114.38 108.61 3ggg h ARG 142 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 3ggg h ARG 142 Cb 0.14 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.10 3ggg h ARG 142 CO 0.00 0.15 -0.32 0.12 -1.07 0.00 0.00 179.97 178.85 3ggg s PHE 143 N -4.46 3.56 -0.06 3.04 5.36 -1.15 -0.36 117.98 123.91 3ggg s PHE 143 Ca -0.04 0.68 -0.00 0.00 -0.96 0.00 0.00 56.93 56.62 3ggg s PHE 143 Cb 0.15 -2.25 0.02 0.00 -0.34 0.00 0.00 43.02 40.60 3ggg s PHE 143 CO 0.65 0.44 -0.03 0.08 -1.46 0.00 0.00 175.22 174.90 3ggg s VAL 144 N -0.21 0.52 0.00 3.12 1.01 -0.58 -4.74 120.40 119.52 3ggg s VAL 144 Ca 0.18 -0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.89 3ggg s VAL 144 Cb -0.14 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 3ggg s VAL 144 CO 0.06 0.26 0.73 -0.83 0.00 0.00 0.00 175.10 175.32 3ggg s GLY 145 N 1.48 2.72 0.06 4.51 0.00 -1.26 -3.63 107.32 111.19 3ggg s GLY 145 Ca -0.02 0.21 -0.01 0.00 0.00 0.00 0.00 44.72 44.90 3ggg s GLY 145 CO -0.03 1.09 -0.02 -0.32 0.00 0.00 0.00 173.10 173.82 3ggg s GLY 146 N 0.23 0.56 -0.28 0.20 0.00 -1.23 -1.26 107.32 105.54 3ggg s GLY 146 Ca 0.38 -1.26 0.01 0.00 0.00 0.00 0.00 44.72 43.85 3ggg s GLY 146 CO 0.21 -1.34 0.50 -1.58 0.00 0.00 0.00 173.10 170.89 3ggg s HIS 147 N -3.92 -1.34 0.11 1.90 2.46 0.10 -3.36 115.29 111.23 3ggg s HIS 147 Ca 0.10 1.06 -0.30 0.00 0.47 0.00 0.00 55.06 56.39 3ggg s HIS 147 Cb 0.08 0.22 -0.06 0.00 -0.13 0.00 0.00 32.58 32.69 3ggg s HIS 147 CO -0.08 -0.91 1.15 -1.25 -2.47 0.00 0.00 174.74 171.19 3ggg s PRO 148 N 2.71 4.50 -1.17 2.88 0.04 -1.26 -0.22 135.00 142.48 3ggg s PRO 148 Ca 0.14 1.74 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 3ggg s PRO 148 Cb -0.13 -3.32 0.23 0.00 0.04 0.00 0.00 34.50 31.31 3ggg s PRO 148 CO -0.23 -0.12 1.33 -0.89 0.04 0.00 0.00 177.00 177.13 3ggg n ILE 149 N 3.29 4.49 -3.64 0.56 2.08 0.20 -4.85 119.36 121.48 3ggg n ILE 149 Ca 0.06 -5.09 -0.07 0.00 0.56 0.00 0.00 62.75 58.21 3ggg n ILE 149 Cb 0.46 -2.49 -0.07 0.00 -0.75 0.00 0.00 39.64 36.80 3ggg n ILE 149 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3ggg s ALA 150 N -0.12 -1.95 0.00 -1.39 0.00 -1.26 -4.38 121.76 112.66 3ggg s ALA 150 Ca 0.36 2.29 0.00 0.00 0.00 0.00 0.00 51.96 54.61 3ggg s ALA 150 Cb -0.05 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.63 3ggg s ALA 150 CO -0.03 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.79 3ggg n GLY 151 N 3.80 0.83 0.00 0.00 0.00 -1.26 -5.07 105.19 103.49 3ggg n GLY 151 Ca -0.18 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.82 3ggg n GLY 151 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ggg n THR 152 N -0.56 0.00 0.88 2.61 -2.24 -1.26 -5.03 114.28 108.69 3ggg n THR 152 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 3ggg n THR 152 Cb 0.00 0.00 0.48 0.00 -2.10 0.00 0.00 70.33 68.71 3ggg n THR 152 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ggg n GLU 153 N 0.00 0.08 -1.63 -0.78 4.71 -1.26 -4.91 120.64 116.85 3ggg n GLU 153 Ca 0.00 0.06 -0.32 0.00 -0.01 0.00 0.00 57.16 56.89 3ggg n GLU 153 Cb 0.00 -1.58 0.05 0.00 -1.01 0.00 0.00 31.44 28.90 3ggg n GLU 153 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3ggg s LYS 154 N -3.04 2.84 0.06 3.49 -0.14 -1.26 -3.97 119.74 117.73 3ggg s LYS 154 Ca 0.12 1.12 -0.12 0.00 -1.36 0.00 0.00 55.97 55.73 3ggg s LYS 154 Cb 0.17 -1.97 0.01 0.00 -1.68 0.00 0.00 37.83 34.36 3ggg s LYS 154 CO 0.58 -1.18 0.27 -1.54 -0.76 0.00 0.00 175.35 172.72 3ggg s SER 155 N -3.32 -0.06 0.00 2.83 1.04 -1.26 -4.91 113.70 108.02 3ggg s SER 155 Ca 0.61 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.71 3ggg s SER 155 Cb -0.16 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.32 3ggg s SER 155 CO 0.49 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.67 3ggg n GLY 156 N 0.36 2.16 0.29 7.32 0.00 -1.26 -4.69 105.19 109.38 3ggg n GLY 156 Ca -0.18 -1.64 0.12 0.00 0.00 0.00 0.00 46.02 44.32 3ggg n GLY 156 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3ggg h VAL 157 N 0.00 0.82 -0.32 1.61 3.04 -1.71 -0.85 116.25 118.84 3ggg h VAL 157 Ca 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 65.76 3ggg h VAL 157 Cb 0.00 0.94 -0.02 0.00 -2.01 0.00 0.00 31.29 30.21 3ggg h VAL 157 CO 0.00 0.00 0.23 -0.33 -1.01 0.00 0.00 177.57 176.46 3ggg h GLU 158 N 0.00 0.12 -0.09 4.17 3.07 -1.88 -1.08 114.58 118.89 3ggg h GLU 158 Ca 0.05 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3ggg h GLU 158 Cb 0.21 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 3ggg h GLU 158 CO -0.00 0.08 0.00 0.66 -1.40 0.00 0.00 179.01 178.35 3ggg n TYR 159 N -4.47 0.10 -1.45 4.33 4.01 -0.33 -4.97 117.16 114.39 3ggg n TYR 159 Ca 0.04 -0.05 -0.31 0.00 -0.16 0.00 0.00 57.90 57.42 3ggg n TYR 159 Cb 0.31 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.41 3ggg n TYR 159 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3ggg s SER 160 N -1.79 4.90 0.00 7.72 1.04 -0.41 -5.02 113.70 120.13 3ggg s SER 160 Ca 0.35 1.78 0.01 0.00 0.48 0.00 0.00 55.95 58.58 3ggg s SER 160 Cb 0.19 -2.52 -0.01 0.00 0.10 0.00 0.00 66.02 63.79 3ggg s SER 160 CO 0.30 -1.77 -0.04 -0.76 0.98 0.00 0.00 173.24 171.95 3ggg s LEU 161 N -5.62 2.04 0.00 2.42 1.43 -1.26 -4.90 118.68 112.80 3ggg s LEU 161 Ca 0.61 -0.14 0.26 0.00 -1.03 0.00 0.00 54.13 53.83 3ggg s LEU 161 Cb -0.16 -0.18 0.74 0.00 0.03 0.00 0.00 46.19 46.62 3ggg s LEU 161 CO 0.53 0.01 1.56 -0.90 0.23 0.00 0.00 176.35 177.78 3ggg n ASP 162 N 2.76 1.46 -0.10 2.29 5.75 -1.26 -3.24 116.55 124.21 3ggg n ASP 162 Ca -0.14 -1.26 0.10 0.00 -0.01 0.00 0.00 54.79 53.47 3ggg n ASP 162 Cb 0.58 0.11 0.14 0.00 -1.03 0.00 0.00 41.12 40.92 3ggg n ASP 162 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3ggg n ASN 163 N -0.13 2.25 -0.33 -1.12 2.04 -1.26 -4.03 115.26 112.69 3ggg n ASN 163 Ca 0.14 -3.07 0.04 0.00 -0.44 0.00 0.00 54.58 51.25 3ggg n ASN 163 Cb 0.38 -0.42 0.19 0.00 -2.53 0.00 0.00 39.78 37.40 3ggg n ASN 163 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 3ggg h LEU 164 N 0.03 0.84 -0.79 -4.53 5.85 -1.88 -2.27 115.31 112.54 3ggg h LEU 164 Ca -0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3ggg h LEU 164 Cb 1.01 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.91 3ggg h LEU 164 CO 0.00 0.48 -0.06 -1.22 -0.34 0.00 0.00 178.44 177.31 3ggg n TYR 165 N -4.65 0.00 -1.59 1.25 4.01 -1.26 -4.85 117.16 110.07 3ggg n TYR 165 Ca 0.15 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.45 3ggg n TYR 165 Cb 0.27 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.24 3ggg n TYR 165 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 3ggg n GLU 166 N -0.09 1.99 -1.09 -0.72 4.07 -0.86 -1.22 120.64 122.72 3ggg n GLU 166 Ca 0.18 0.58 -0.03 0.00 -0.06 0.00 0.00 57.16 57.83 3ggg n GLU 166 Cb 0.34 -3.11 -0.01 0.00 -0.06 0.00 0.00 31.44 28.59 3ggg n GLU 166 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ggg n GLY 167 N 5.66 0.64 3.80 8.31 0.00 0.58 -4.97 105.19 119.21 3ggg n GLY 167 Ca 0.30 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 3ggg n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ggg s LYS 168 N -1.95 3.04 0.33 1.61 -0.14 -0.36 -4.87 119.74 117.41 3ggg s LYS 168 Ca 0.00 -0.58 -0.29 0.00 -1.36 0.00 0.00 55.97 53.74 3ggg s LYS 168 Cb 0.00 -2.82 -0.10 0.00 -1.68 0.00 0.00 37.83 33.22 3ggg s LYS 168 CO 0.00 0.60 1.32 0.15 -0.76 0.00 0.00 175.35 176.66 3ggg s LYS 169 N -2.22 4.34 -0.09 1.68 1.02 -1.26 -0.74 119.74 122.46 3ggg s LYS 169 Ca 0.28 2.24 0.03 0.00 0.02 0.00 0.00 55.97 58.54 3ggg s LYS 169 Cb -0.12 -3.07 0.01 0.00 -0.52 0.00 0.00 37.83 34.13 3ggg s LYS 169 CO 0.21 -0.22 -0.16 0.08 -0.92 0.00 0.00 175.35 174.33 3ggg s VAL 170 N -1.08 1.52 -0.24 3.17 1.01 -0.67 0.58 120.40 124.69 3ggg s VAL 170 Ca 0.50 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.68 3ggg s VAL 170 Cb -0.40 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 3ggg s VAL 170 CO 0.53 0.44 0.17 -0.63 0.00 0.00 0.00 175.10 175.62 3ggg s ILE 171 N 0.70 5.35 -0.01 2.22 -1.09 0.70 -1.84 121.20 127.23 3ggg s ILE 171 Ca -0.13 0.21 -0.02 0.00 -2.23 0.00 0.00 60.65 58.48 3ggg s ILE 171 Cb -0.16 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.17 3ggg s ILE 171 CO 0.03 0.34 0.16 -0.76 -1.23 0.00 0.00 174.94 173.49 3ggg s LEU 172 N 1.07 4.29 -0.61 2.97 1.43 -0.34 -0.72 118.68 126.78 3ggg s LEU 172 Ca 0.08 0.32 0.06 0.00 -1.03 0.00 0.00 54.13 53.56 3ggg s LEU 172 Cb -0.14 -2.54 0.26 0.00 0.03 0.00 0.00 46.19 43.80 3ggg s LEU 172 CO 0.05 0.27 0.75 0.35 0.23 0.00 0.00 176.35 177.99 3ggg n THR 173 N 1.01 2.15 -1.36 5.49 -2.24 -0.39 -1.72 114.28 117.23 3ggg n THR 173 Ca -0.11 -5.15 -0.31 0.00 -2.27 0.00 0.00 64.05 56.20 3ggg n THR 173 Cb 0.53 -2.00 0.08 0.00 -2.10 0.00 0.00 70.33 66.84 3ggg n THR 173 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3ggg s PRO 174 N -2.47 2.47 0.40 -0.78 0.04 -1.26 -4.49 135.00 128.91 3ggg s PRO 174 Ca 0.40 1.11 0.05 0.00 0.04 0.00 0.00 61.00 62.60 3ggg s PRO 174 Cb 0.17 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 3ggg s PRO 174 CO -0.03 -1.47 0.16 0.95 0.04 0.00 0.00 177.00 176.65 3ggg s THR 175 N -2.93 0.45 0.16 1.26 -4.23 -1.26 -4.75 115.64 104.33 3ggg s THR 175 Ca 0.60 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.11 3ggg s THR 175 Cb -0.16 -2.34 0.23 0.00 1.34 0.00 0.00 72.50 71.56 3ggg s THR 175 CO 0.55 0.00 0.83 0.29 -0.54 0.00 0.00 174.62 175.75 3ggg n LYS 176 N -0.88 -0.04 0.00 3.99 5.02 -1.26 -0.93 118.16 124.06 3ggg n LYS 176 Ca -0.04 0.80 0.14 0.00 -2.02 0.00 0.00 58.31 57.20 3ggg n LYS 176 Cb 0.64 -1.25 0.56 0.00 -0.02 0.00 0.00 35.03 34.96 3ggg n LYS 176 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ggg n LYS 177 N -4.71 1.27 -2.45 1.97 5.02 -1.26 -4.93 118.16 113.09 3ggg n LYS 177 Ca 0.11 -0.65 -0.42 0.00 -2.02 0.00 0.00 58.31 55.34 3ggg n LYS 177 Cb 0.36 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 3ggg n LYS 177 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3ggg s THR 178 N -2.17 3.95 -0.06 -0.18 2.01 -0.10 -4.88 115.64 114.21 3ggg s THR 178 Ca 0.35 1.50 -0.30 0.00 0.31 0.00 0.00 61.69 63.55 3ggg s THR 178 Cb 0.21 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 3ggg s THR 178 CO 0.40 0.17 1.29 -0.62 -0.69 0.00 0.00 174.62 175.17 3ggg s ASP 179 N 0.63 6.96 0.18 3.53 2.15 -1.26 -4.92 116.67 123.94 3ggg s ASP 179 Ca 0.55 1.89 -0.11 0.00 0.43 0.00 0.00 52.55 55.31 3ggg s ASP 179 Cb -0.30 -2.55 0.09 0.00 -0.30 0.00 0.00 42.92 39.86 3ggg s ASP 179 CO 0.32 -0.67 1.73 0.11 -0.17 0.00 0.00 175.17 176.48 3ggg h LYS 180 N 7.80 0.97 -0.72 4.34 1.57 -1.96 -0.93 116.57 127.64 3ggg h LYS 180 Ca -0.34 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3ggg h LYS 180 Cb 1.15 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 33.28 3ggg h LYS 180 CO 0.91 0.83 0.45 0.87 -0.57 0.00 0.00 179.45 181.94 3ggg h LYS 181 N 0.91 0.96 0.10 3.15 6.56 -1.99 -0.40 116.57 125.85 3ggg h LYS 181 Ca 0.21 -0.07 -0.27 0.00 -1.06 0.00 0.00 60.65 59.46 3ggg h LYS 181 Cb 0.24 -0.21 0.01 0.00 -0.57 0.00 0.00 32.23 31.70 3ggg h LYS 181 CO -0.01 0.66 -1.17 0.00 -2.06 0.00 0.00 179.45 176.86 3ggg h ARG 182 N 0.98 0.43 -0.19 3.15 3.08 -1.88 -0.90 114.38 119.05 3ggg h ARG 182 Ca 0.26 -0.59 0.02 0.00 0.07 0.00 0.00 59.98 59.75 3ggg h ARG 182 Cb -0.07 0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3ggg h ARG 182 CO -0.05 1.24 0.04 1.25 -1.07 0.00 0.00 179.97 181.38 3ggg h LEU 183 N 0.18 0.01 -0.44 3.04 5.85 -0.65 0.18 115.31 123.48 3ggg h LEU 183 Ca -0.14 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.63 3ggg h LEU 183 Cb 1.85 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.89 3ggg h LEU 183 CO 0.21 0.03 0.26 0.11 -0.34 0.00 0.00 178.44 178.71 3ggg h LYS 184 N 0.11 0.51 0.04 1.25 1.57 -1.04 -1.26 116.57 117.75 3ggg h LYS 184 Ca 0.08 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 3ggg h LYS 184 Cb 0.08 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.22 3ggg h LYS 184 CO -0.11 0.34 -0.33 1.25 -0.57 0.00 0.00 179.45 180.03 3ggg h LEU 185 N 0.53 -0.98 -0.70 2.94 5.85 -0.75 -1.34 115.31 120.85 3ggg h LEU 185 Ca 0.18 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 3ggg h LEU 185 Cb 0.01 0.39 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3ggg h LEU 185 CO -0.08 -0.40 0.31 0.58 -0.34 0.00 0.00 178.44 178.51 3ggg h VAL 186 N -0.51 1.24 0.36 1.05 2.07 -0.46 0.03 116.25 120.03 3ggg h VAL 186 Ca 0.05 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 3ggg h VAL 186 Cb 0.58 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3ggg h VAL 186 CO -0.24 0.29 -0.22 0.50 0.02 0.00 0.00 177.57 177.91 3ggg h LYS 187 N 0.99 -0.54 -0.52 1.57 3.64 -1.12 -1.23 116.57 119.36 3ggg h LYS 187 Ca 0.24 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.63 3ggg h LYS 187 Cb 0.16 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3ggg h LYS 187 CO -0.03 -0.36 0.22 -0.09 -2.27 0.00 0.00 179.45 176.92 3ggg h ARG 188 N -0.56 0.75 -0.53 1.90 9.65 -0.83 -0.87 114.38 123.89 3ggg h ARG 188 Ca -0.04 -0.10 0.02 0.00 -1.10 0.00 0.00 59.98 58.76 3ggg h ARG 188 Cb 0.47 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.87 3ggg h ARG 188 CO 0.04 0.61 0.32 0.28 2.80 0.00 0.00 179.97 184.01 3ggg h VAL 189 N 0.74 1.06 -0.56 0.20 2.07 -0.67 0.13 116.25 119.23 3ggg h VAL 189 Ca 0.18 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 3ggg h VAL 189 Cb 0.13 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3ggg h VAL 189 CO -0.02 0.12 0.06 -0.50 0.02 0.00 0.00 177.57 177.24 3ggg h TRP 190 N 0.63 1.02 -0.40 1.57 4.06 -0.51 -2.25 115.95 120.07 3ggg h TRP 190 Ca 0.21 -0.16 -0.08 0.00 2.06 0.00 0.00 58.89 60.92 3ggg h TRP 190 Cb 0.01 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 27.88 3ggg h TRP 190 CO -0.06 0.91 -0.08 0.93 -3.56 0.00 0.00 178.44 176.58 3ggg h GLU 191 N 0.84 0.69 -0.23 0.49 5.08 -1.04 0.24 114.58 120.66 3ggg h GLU 191 Ca 0.17 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3ggg h GLU 191 Cb 0.46 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3ggg h GLU 191 CO 0.02 0.76 0.16 -0.44 -1.00 0.00 0.00 179.01 178.51 3ggg h ASP 192 N 0.64 0.17 -0.46 1.42 3.32 -0.36 -1.87 116.42 119.27 3ggg h ASP 192 Ca 0.12 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3ggg h ASP 192 Cb 0.51 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3ggg h ASP 192 CO 0.03 0.12 0.00 1.33 -1.72 0.00 0.00 179.24 179.00 3ggg n VAL 193 N -4.50 0.61 0.00 -1.35 0.24 -0.88 -4.81 118.33 107.64 3ggg n VAL 193 Ca 0.01 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 3ggg n VAL 193 Cb 0.16 0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 3ggg n VAL 193 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ggg n GLY 194 N 1.34 0.60 3.86 7.63 0.00 -0.70 -3.82 105.19 114.10 3ggg n GLY 194 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3ggg n GLY 194 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ggg s GLY 195 N -1.46 1.63 -0.25 -0.02 0.00 0.80 -0.31 107.32 107.71 3ggg s GLY 195 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 44.72 44.46 3ggg s GLY 195 CO 0.00 0.09 -0.07 0.14 0.00 0.00 0.00 173.10 173.26 3ggg s VAL 196 N -3.29 1.86 0.10 1.40 1.01 0.08 -4.15 120.40 117.40 3ggg s VAL 196 Ca 0.59 -1.47 -0.21 0.00 0.00 0.00 0.00 61.98 60.89 3ggg s VAL 196 Cb -0.12 -2.06 -0.07 0.00 0.00 0.00 0.00 36.38 34.13 3ggg s VAL 196 CO 0.53 -0.09 0.63 -0.69 0.00 0.00 0.00 175.10 175.48 3ggg s VAL 197 N 1.24 4.63 0.14 2.92 1.01 -1.26 -1.66 120.40 127.40 3ggg s VAL 197 Ca -0.07 1.36 -0.01 0.00 0.00 0.00 0.00 61.98 63.27 3ggg s VAL 197 Cb -0.19 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 3ggg s VAL 197 CO -0.06 0.53 0.05 -1.83 0.00 0.00 0.00 175.10 173.79 3ggg s GLU 198 N -1.15 0.95 0.12 2.72 -1.05 -0.76 -4.94 118.70 114.58 3ggg s GLU 198 Ca 0.31 -1.45 0.07 0.00 -0.15 0.00 0.00 54.97 53.75 3ggg s GLU 198 Cb -0.20 0.16 -0.04 0.00 -0.44 0.00 0.00 34.13 33.61 3ggg s GLU 198 CO 0.21 -0.24 -0.07 0.71 0.95 0.00 0.00 175.26 176.82 3ggg s TYR 199 N -3.99 2.79 0.07 4.83 2.02 -1.26 -1.20 117.35 120.61 3ggg s TYR 199 Ca 0.24 -0.14 -0.06 0.00 -0.37 0.00 0.00 57.07 56.74 3ggg s TYR 199 Cb 0.07 -1.43 -0.02 0.00 -0.40 0.00 0.00 41.96 40.19 3ggg s TYR 199 CO 0.02 0.45 0.10 -1.64 -1.57 0.00 0.00 175.55 172.92 3ggg s MET 200 N -2.37 0.72 0.71 -0.62 -1.94 -0.70 -4.94 119.30 110.17 3ggg s MET 200 Ca 0.23 -1.00 -0.14 0.00 -1.71 0.00 0.00 55.69 53.07 3ggg s MET 200 Cb -0.11 0.28 0.03 0.00 2.01 0.00 0.00 34.83 37.04 3ggg s MET 200 CO 0.15 -0.19 1.12 -1.54 -0.01 0.00 0.00 175.02 174.55 3ggg s SER 201 N -2.74 4.73 0.41 3.03 1.04 -1.26 -4.02 113.70 114.89 3ggg s SER 201 Ca 0.04 2.02 0.08 0.00 0.48 0.00 0.00 55.95 58.57 3ggg s SER 201 Cb 0.05 -2.55 0.89 0.00 0.10 0.00 0.00 66.02 64.51 3ggg s SER 201 CO -0.09 -1.89 2.04 -0.65 0.98 0.00 0.00 173.24 173.62 3ggg h PRO 202 N -0.39 0.52 0.24 4.02 0.11 -1.85 -0.86 132.00 133.80 3ggg h PRO 202 Ca -0.46 -0.03 -0.33 0.00 0.11 0.00 0.00 66.00 65.29 3ggg h PRO 202 Cb 1.25 -0.12 0.03 0.00 0.11 0.00 0.00 31.00 32.28 3ggg h PRO 202 CO 0.52 0.34 -1.47 0.93 -0.21 0.00 0.00 178.00 178.12 3ggg h GLU 203 N 0.53 0.51 -0.68 1.05 3.07 -1.90 -0.66 114.58 116.50 3ggg h GLU 203 Ca 0.19 -0.87 -0.05 0.00 -0.50 0.00 0.00 59.36 58.13 3ggg h GLU 203 Cb 0.08 0.32 -0.03 0.00 -0.84 0.00 0.00 28.75 28.29 3ggg h GLU 203 CO -0.05 1.42 0.24 1.25 -1.40 0.00 0.00 179.01 180.47 3ggg h LEU 204 N 0.14 0.97 -0.30 1.33 5.85 -1.87 -2.67 115.31 118.76 3ggg h LEU 204 Ca -0.25 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.35 3ggg h LEU 204 Cb 2.15 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 42.86 3ggg h LEU 204 CO 0.27 0.90 -0.12 -0.74 -0.34 0.00 0.00 178.44 178.41 3ggg h HIS 205 N 0.98 -0.29 0.00 1.25 2.76 -1.15 -0.77 115.15 117.93 3ggg h HIS 205 Ca 0.22 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.39 3ggg h HIS 205 Cb 0.26 0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.39 3ggg h HIS 205 CO 0.02 -0.19 -0.16 -0.44 -1.30 0.00 0.00 177.93 175.86 3ggg h ASP 206 N -0.07 0.00 0.00 3.26 5.19 -1.29 -0.62 116.42 122.89 3ggg h ASP 206 Ca 0.15 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.56 3ggg h ASP 206 Cb 0.30 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.81 3ggg h ASP 206 CO -0.35 0.16 -0.00 0.22 -3.12 0.00 0.00 179.24 176.14 3ggg h TYR 207 N 0.00 0.00 -0.20 4.55 3.20 -1.05 -1.74 116.97 121.73 3ggg h TYR 207 Ca -0.00 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.92 3ggg h TYR 207 Cb 0.37 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.57 3ggg h TYR 207 CO 0.00 0.93 -0.40 0.28 -1.64 0.00 0.00 178.16 177.33 3ggg h VAL 208 N -1.00 0.17 0.00 1.81 2.07 -1.04 -1.56 116.25 116.69 3ggg h VAL 208 Ca -0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3ggg h VAL 208 Cb 0.93 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3ggg h VAL 208 CO -0.00 0.00 -0.02 -0.26 0.02 0.00 0.00 177.57 177.31 3ggg h PHE 209 N -0.43 0.00 -0.31 1.57 0.04 -1.25 -0.18 116.94 116.38 3ggg h PHE 209 Ca 0.10 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.89 3ggg h PHE 209 Cb 0.60 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.72 3ggg h PHE 209 CO -0.50 0.02 0.16 0.78 -0.60 0.00 0.00 178.31 178.17 3ggg h GLY 210 N 3.33 0.42 1.07 -1.45 0.00 -0.82 0.24 103.07 105.85 3ggg h GLY 210 Ca -0.00 -0.11 -0.30 0.00 0.00 0.00 0.00 47.33 46.92 3ggg h GLY 210 CO 0.00 0.09 -1.31 -2.08 0.00 0.00 0.00 176.54 173.24 3ggg h VAL 211 N 0.33 1.32 0.00 4.60 2.07 -0.80 -0.26 116.25 123.52 3ggg h VAL 211 Ca 0.13 -2.64 0.00 0.00 0.82 0.00 0.00 66.70 65.01 3ggg h VAL 211 Cb 0.04 3.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 3ggg h VAL 211 CO -0.08 0.78 -0.94 0.55 0.02 0.00 0.00 177.57 177.90 3ggg n VAL 212 N -3.83 0.38 0.00 2.57 3.14 -0.12 -4.15 118.33 116.31 3ggg n VAL 212 Ca -0.17 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 60.84 3ggg n VAL 212 Cb 1.02 -0.10 0.00 0.00 -1.06 0.00 0.00 33.84 33.70 3ggg n VAL 212 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 3ggg n SER 213 N -2.28 0.42 -0.02 6.55 2.88 -0.23 -4.68 113.62 116.25 3ggg n SER 213 Ca 0.01 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.38 3ggg n SER 213 Cb 0.48 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.87 3ggg n SER 213 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 3ggg h HIS 214 N 0.00 1.08 -0.25 0.66 3.86 -0.56 -2.71 115.15 117.23 3ggg h HIS 214 Ca 0.00 -0.49 -0.05 0.00 -1.16 0.00 0.00 60.37 58.67 3ggg h HIS 214 Cb 0.66 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 3ggg h HIS 214 CO 0.00 1.33 -0.03 1.25 0.86 0.00 0.00 177.93 181.34 3ggg h LEU 215 N 0.53 0.46 -0.98 2.43 5.85 -1.20 -0.77 115.31 121.63 3ggg h LEU 215 Ca -0.06 -0.33 0.07 0.00 0.84 0.00 0.00 57.88 58.39 3ggg h LEU 215 Cb 1.45 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 42.28 3ggg h LEU 215 CO 0.17 0.69 0.63 -0.65 -0.34 0.00 0.00 178.44 178.93 3ggg h PRO 216 N 0.23 1.10 -0.21 5.25 0.11 -1.74 0.18 132.00 136.92 3ggg h PRO 216 Ca 0.07 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3ggg h PRO 216 Cb 0.46 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 3ggg h PRO 216 CO 0.02 0.73 0.14 0.45 -0.21 0.00 0.00 178.00 179.13 3ggg h HIS 217 N 1.14 0.27 -0.84 0.65 3.86 -1.36 -0.15 115.15 118.72 3ggg h HIS 217 Ca 0.43 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.72 3ggg h HIS 217 Cb 0.18 -0.09 -0.07 0.00 1.06 0.00 0.00 27.41 28.49 3ggg h HIS 217 CO -0.01 0.17 0.50 0.00 0.86 0.00 0.00 177.93 179.45 3ggg h ALA 218 N 1.08 1.17 -0.27 2.45 0.00 -0.10 0.09 119.26 123.68 3ggg h ALA 218 Ca 0.08 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3ggg h ALA 218 Cb -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3ggg h ALA 218 CO -0.02 0.17 0.02 0.28 0.00 0.00 0.00 179.25 179.70 3ggg h VAL 219 N 0.86 1.24 -0.35 0.00 2.07 -0.56 -1.59 116.25 117.92 3ggg h VAL 219 Ca 0.39 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 3ggg h VAL 219 Cb 0.28 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3ggg h VAL 219 CO -0.21 0.27 0.21 0.00 0.02 0.00 0.00 177.57 177.86 3ggg h ALA 220 N 0.84 0.45 -0.38 1.67 0.00 -0.67 0.11 119.26 121.27 3ggg h ALA 220 Ca 0.08 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3ggg h ALA 220 Cb 0.38 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3ggg h ALA 220 CO 0.01 -0.06 0.10 0.74 0.00 0.00 0.00 179.25 180.04 3ggg h PHE 221 N 0.46 0.17 -0.18 0.00 0.04 -0.93 -2.40 116.94 114.10 3ggg h PHE 221 Ca 0.13 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.81 3ggg h PHE 221 Cb -0.00 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 3ggg h PHE 221 CO -0.04 0.04 -0.35 0.00 -0.60 0.00 0.00 178.31 177.36 3ggg h ALA 222 N 1.28 1.06 -0.13 2.45 0.00 -1.06 -1.59 119.26 121.27 3ggg h ALA 222 Ca 0.18 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3ggg h ALA 222 Cb 0.20 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3ggg h ALA 222 CO -0.22 0.58 -0.07 -0.07 0.00 0.00 0.00 179.25 179.47 3ggg h LEU 223 N 0.33 -0.24 -0.84 0.00 3.38 -0.41 0.13 115.31 117.66 3ggg h LEU 223 Ca 0.04 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3ggg h LEU 223 Cb 0.78 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 3ggg h LEU 223 CO 0.06 -0.10 0.48 0.58 0.09 0.00 0.00 178.44 179.55 3ggg h VAL 224 N -0.07 1.24 -0.52 1.22 2.07 -1.27 -2.51 116.25 116.41 3ggg h VAL 224 Ca 0.08 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3ggg h VAL 224 Cb 0.18 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 3ggg h VAL 224 CO -0.18 0.26 0.21 -0.78 0.02 0.00 0.00 177.57 177.11 3ggg h ASP 225 N 1.16 0.67 -0.57 0.57 3.58 -0.78 -2.26 116.42 118.79 3ggg h ASP 225 Ca 0.30 -0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.72 3ggg h ASP 225 Cb -0.01 -0.17 -0.05 0.00 1.72 0.00 0.00 39.33 40.82 3ggg h ASP 225 CO -0.05 0.60 0.30 0.74 -2.88 0.00 0.00 179.24 177.95 3ggg h THR 226 N 0.74 0.96 -0.15 2.25 2.02 -0.31 -2.26 112.91 116.15 3ggg h THR 226 Ca 0.18 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 3ggg h THR 226 Cb 0.14 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 3ggg h THR 226 CO -0.02 0.10 -0.19 -0.07 0.37 0.00 0.00 175.52 175.72 3ggg h LEU 227 N 0.57 0.25 0.45 2.58 4.07 -1.30 -1.17 115.31 120.76 3ggg h LEU 227 Ca 0.26 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.14 3ggg h LEU 227 Cb 0.16 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 3ggg h LEU 227 CO -0.17 0.46 -0.37 0.40 -1.08 0.00 0.00 178.44 177.68 3ggg h ILE 228 N 0.24 0.25 0.00 1.22 2.04 -0.93 -2.66 117.51 117.66 3ggg h ILE 228 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3ggg h ILE 228 Cb 0.48 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3ggg h ILE 228 CO 0.03 0.00 -0.03 1.12 0.00 0.00 0.00 178.15 179.27 3ggg h HIS 229 N -0.82 0.00 -0.00 1.37 2.07 -1.34 -3.04 115.15 113.39 3ggg h HIS 229 Ca -0.04 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.48 3ggg h HIS 229 Cb 0.71 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.69 3ggg h HIS 229 CO -0.17 0.00 -0.40 -1.33 -3.07 0.00 0.00 177.93 172.96 3ggg n MET 230 N -2.59 0.07 -1.66 5.12 2.81 -0.45 -4.85 117.12 115.57 3ggg n MET 230 Ca 0.05 -0.04 -0.32 0.00 -1.81 0.00 0.00 57.70 55.58 3ggg n MET 230 Cb 0.47 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.53 3ggg n MET 230 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 3ggg s SER 231 N -2.95 5.14 0.29 7.83 0.01 -1.00 -4.95 113.70 118.06 3ggg s SER 231 Ca 0.13 1.85 0.07 0.00 1.31 0.00 0.00 55.95 59.30 3ggg s SER 231 Cb 0.18 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.82 3ggg s SER 231 CO 0.66 -1.61 -0.06 0.42 0.41 0.00 0.00 173.24 173.06 3ggg s THR 232 N -2.63 1.68 -0.26 1.44 -4.23 0.10 -5.00 115.64 106.74 3ggg s THR 232 Ca 0.63 -2.13 0.24 0.00 -1.18 0.00 0.00 61.69 59.25 3ggg s THR 232 Cb -0.18 -2.48 0.24 0.00 1.34 0.00 0.00 72.50 71.43 3ggg s THR 232 CO 0.47 -0.28 1.72 1.55 -0.54 0.00 0.00 174.62 177.53 3ggg h PRO 233 N 2.25 0.00 0.00 3.99 0.13 -2.00 -2.37 132.00 134.00 3ggg h PRO 233 Ca -0.40 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.61 3ggg h PRO 233 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 3ggg h PRO 233 CO 0.68 0.00 -1.75 -0.85 -0.23 0.00 0.00 178.00 175.84 3ggg n GLU 234 N -2.31 0.65 -3.86 0.86 0.00 -1.26 -4.81 120.64 109.90 3ggg n GLU 234 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.86 3ggg n GLU 234 Cb 0.12 -1.65 -0.16 0.00 0.00 0.00 0.00 31.44 29.75 3ggg n GLU 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3ggg s VAL 235 N -3.14 1.23 -0.58 3.84 0.11 -0.89 -5.07 120.40 115.90 3ggg s VAL 235 Ca -0.06 -1.14 -0.20 0.00 -2.93 0.00 0.00 61.98 57.65 3ggg s VAL 235 Cb 0.10 -1.63 0.08 0.00 -1.53 0.00 0.00 36.38 33.39 3ggg s VAL 235 CO 0.85 -0.23 0.76 -0.62 -3.33 0.00 0.00 175.10 172.53 3ggg s ASP 236 N 1.51 6.21 0.64 3.54 3.68 -1.26 -0.72 116.67 130.28 3ggg s ASP 236 Ca -0.02 -1.06 0.39 0.00 2.13 0.00 0.00 52.55 54.00 3ggg s ASP 236 Cb -0.18 -2.34 2.22 0.00 -1.45 0.00 0.00 42.92 41.17 3ggg s ASP 236 CO -0.09 -1.13 2.33 -0.07 0.13 0.00 0.00 175.17 176.34 3ggg h LEU 237 N 10.31 0.00 -0.38 -1.34 3.38 -1.92 -1.97 115.31 123.40 3ggg h LEU 237 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3ggg h LEU 237 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3ggg h LEU 237 CO 1.08 0.00 0.00 0.49 0.09 0.00 0.00 178.44 180.10 3ggg n PHE 238 N -3.36 0.44 0.81 1.13 3.72 -1.26 -2.19 117.46 116.75 3ggg n PHE 238 Ca -0.03 0.17 0.09 0.00 -0.05 0.00 0.00 57.45 57.64 3ggg n PHE 238 Cb 0.08 -0.78 0.45 0.00 -0.94 0.00 0.00 39.48 38.29 3ggg n PHE 238 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3ggg n LYS 239 N -1.90 0.18 -3.15 -1.08 5.02 -0.74 -4.20 118.16 112.29 3ggg n LYS 239 Ca 0.03 0.13 -0.26 0.00 -2.02 0.00 0.00 58.31 56.19 3ggg n LYS 239 Cb 0.20 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 3ggg n LYS 239 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3ggg n TYR 240 N -1.36 3.17 -2.83 2.13 4.02 -0.93 -5.09 117.16 116.28 3ggg n TYR 240 Ca 0.08 -4.00 -0.21 0.00 -0.01 0.00 0.00 57.90 53.76 3ggg n TYR 240 Cb 0.17 -0.50 0.07 0.00 -0.02 0.00 0.00 39.34 39.06 3ggg n TYR 240 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3ggg s PRO 241 N -2.85 2.18 -1.40 -0.72 0.04 -1.26 -4.10 135.00 126.89 3ggg s PRO 241 Ca 0.44 -1.30 -0.12 0.00 0.04 0.00 0.00 61.00 60.05 3ggg s PRO 241 Cb 0.23 -2.53 0.02 0.00 0.04 0.00 0.00 34.50 32.26 3ggg s PRO 241 CO -0.09 -0.97 0.23 0.41 0.04 0.00 0.00 177.00 176.63 3ggg n GLY 242 N -2.41 -0.36 0.23 0.56 0.00 -1.26 -4.57 105.19 97.38 3ggg n GLY 242 Ca 0.14 0.23 0.15 0.00 0.00 0.00 0.00 46.02 46.53 3ggg n GLY 242 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ggg n GLY 243 N -2.39 -0.51 0.00 -0.02 0.00 -1.26 -4.85 105.19 96.16 3ggg n GLY 243 Ca -0.25 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3ggg n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ggg n GLY 244 N 1.08 0.19 0.27 -0.02 0.00 -1.26 -5.04 105.19 100.40 3ggg n GLY 244 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 3ggg n GLY 244 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3ggg h PHE 245 N 0.00 0.73 -0.77 1.61 3.57 -1.88 -3.09 116.94 117.11 3ggg h PHE 245 Ca 0.00 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.55 3ggg h PHE 245 Cb 0.00 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.47 3ggg h PHE 245 CO 0.00 0.36 0.50 -0.22 -2.23 0.00 0.00 178.31 176.71 3ggg h LYS 246 N 0.73 0.96 -0.39 1.11 3.64 -1.93 -1.76 116.57 118.93 3ggg h LYS 246 Ca 0.31 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.51 3ggg h LYS 246 Cb 0.18 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3ggg h LYS 246 CO -0.18 0.63 -0.23 -0.44 -2.27 0.00 0.00 179.45 176.97 3ggg h ASP 247 N 0.98 0.87 0.98 4.20 3.32 -1.98 -2.64 116.42 122.16 3ggg h ASP 247 Ca 0.30 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3ggg h ASP 247 Cb -0.04 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.27 3ggg h ASP 247 CO -0.09 1.10 -0.13 0.49 -1.72 0.00 0.00 179.24 178.89 3ggg n PHE 248 N -4.21 0.20 -0.94 4.55 0.99 -1.00 -3.90 117.46 113.14 3ggg n PHE 248 Ca -0.02 0.06 0.09 0.00 -0.00 0.00 0.00 57.45 57.58 3ggg n PHE 248 Cb 0.45 -0.54 0.16 0.00 -1.00 0.00 0.00 39.48 38.55 3ggg n PHE 248 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 3ggg n THR 249 N -1.67 1.91 -0.32 4.37 -2.24 -0.70 -4.62 114.28 111.02 3ggg n THR 249 Ca 0.06 -2.03 0.13 0.00 -2.27 0.00 0.00 64.05 59.95 3ggg n THR 249 Cb 0.36 -0.17 0.32 0.00 -2.10 0.00 0.00 70.33 68.74 3ggg n THR 249 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3ggg h ARG 250 N 0.58 0.55 0.00 -0.78 2.43 -1.63 0.03 114.38 115.56 3ggg h ARG 250 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3ggg h ARG 250 Cb 1.08 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3ggg h ARG 250 CO 0.06 0.36 0.00 0.44 -1.51 0.00 0.00 179.97 179.33 3ggg n ILE 251 N -4.91 0.29 1.28 1.20 -5.35 -1.26 -2.00 119.36 108.61 3ggg n ILE 251 Ca 0.23 0.07 0.13 0.00 -0.27 0.00 0.00 62.75 62.91 3ggg n ILE 251 Cb 0.62 -0.68 0.68 0.00 -1.74 0.00 0.00 39.64 38.53 3ggg n ILE 251 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ggg n ALA 252 N -1.35 2.35 1.70 -1.28 0.00 -0.00 -2.08 120.51 119.84 3ggg n ALA 252 Ca 0.09 -0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.53 3ggg n ALA 252 Cb 0.22 -1.44 0.61 0.00 0.00 0.00 0.00 19.45 18.84 3ggg n ALA 252 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ggg n LYS 253 N -1.28 1.33 -0.93 0.00 5.02 -0.85 -4.95 118.16 116.51 3ggg n LYS 253 Ca 0.13 -0.48 -0.29 0.00 -2.02 0.00 0.00 58.31 55.65 3ggg n LYS 253 Cb 0.21 -1.42 0.22 0.00 -0.02 0.00 0.00 35.03 34.02 3ggg n LYS 253 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3ggg s SER 254 N -1.79 1.55 0.01 4.39 0.01 -0.88 -4.80 113.70 112.18 3ggg s SER 254 Ca 0.37 1.13 -0.30 0.00 1.31 0.00 0.00 55.95 58.45 3ggg s SER 254 Cb 0.18 -1.74 -0.04 0.00 0.21 0.00 0.00 66.02 64.63 3ggg s SER 254 CO 0.30 -3.79 1.14 -0.62 0.41 0.00 0.00 173.24 170.68 3ggg s ASP 255 N -3.26 7.14 0.33 2.44 2.15 -1.26 -4.95 116.67 119.26 3ggg s ASP 255 Ca 0.67 1.87 0.03 0.00 0.43 0.00 0.00 52.55 55.55 3ggg s ASP 255 Cb -0.18 -2.57 0.59 0.00 -0.30 0.00 0.00 42.92 40.45 3ggg s ASP 255 CO 0.59 -0.45 1.90 -0.65 -0.17 0.00 0.00 175.17 176.39 3ggg h PRO 256 N 6.98 0.63 -0.06 4.34 0.11 -1.97 -2.16 132.00 139.86 3ggg h PRO 256 Ca -0.39 -0.11 -0.16 0.00 0.11 0.00 0.00 66.00 65.45 3ggg h PRO 256 Cb 1.20 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.21 3ggg h PRO 256 CO 0.82 0.58 -0.58 0.82 -0.21 0.00 0.00 178.00 179.42 3ggg h ILE 257 N 0.61 1.38 -0.31 4.15 2.04 -1.99 0.20 117.51 123.60 3ggg h ILE 257 Ca 0.14 -1.94 0.06 0.00 1.00 0.00 0.00 64.86 64.12 3ggg h ILE 257 Cb 0.24 2.33 -0.06 0.00 -0.74 0.00 0.00 36.82 38.59 3ggg h ILE 257 CO -0.00 0.58 -0.08 -0.03 0.00 0.00 0.00 178.15 178.62 3ggg h MET 258 N 0.08 0.00 -0.07 2.37 4.05 -1.96 -1.03 114.93 118.38 3ggg h MET 258 Ca -0.05 -0.00 -0.23 0.00 -0.28 0.00 0.00 59.70 59.14 3ggg h MET 258 Cb 1.25 -0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.05 3ggg h MET 258 CO 0.12 0.00 -0.87 -1.49 0.23 0.00 0.00 176.91 174.90 3ggg h TRP 259 N 0.00 0.86 -0.65 1.39 4.06 -1.35 -1.43 115.95 118.83 3ggg h TRP 259 Ca 0.15 -0.42 0.07 0.00 2.06 0.00 0.00 58.89 60.75 3ggg h TRP 259 Cb 0.22 -0.12 -0.06 0.00 -1.00 0.00 0.00 29.16 28.21 3ggg h TRP 259 CO -0.29 1.24 0.32 -0.09 -3.56 0.00 0.00 178.44 176.06 3ggg h ARG 260 N 0.38 0.56 -0.05 0.49 1.12 -0.48 -1.40 114.38 115.01 3ggg h ARG 260 Ca -0.07 -0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 58.76 3ggg h ARG 260 Cb 1.50 -0.13 -0.00 0.00 -0.01 0.00 0.00 29.97 31.33 3ggg h ARG 260 CO 0.17 0.37 0.03 -0.44 -3.11 0.00 0.00 179.97 176.98 3ggg h ASP 261 N 0.58 0.06 -0.48 -3.80 5.19 -1.08 -1.84 116.42 115.05 3ggg h ASP 261 Ca 0.31 -0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.66 3ggg h ASP 261 Cb 0.27 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.74 3ggg h ASP 261 CO -0.23 0.11 0.30 0.40 -3.12 0.00 0.00 179.24 176.71 3ggg h ILE 262 N -0.00 1.09 -0.63 0.35 2.04 -0.98 0.29 117.51 119.67 3ggg h ILE 262 Ca 0.02 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 3ggg h ILE 262 Cb 0.07 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 3ggg h ILE 262 CO -0.00 0.11 0.20 -0.26 0.00 0.00 0.00 178.15 178.20 3ggg h PHE 263 N 0.61 0.98 -0.01 1.37 0.04 -1.18 0.04 116.94 118.80 3ggg h PHE 263 Ca 0.18 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 3ggg h PHE 263 Cb -0.03 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 37.83 3ggg h PHE 263 CO -0.05 0.78 -0.07 -0.07 -0.60 0.00 0.00 178.31 178.31 3ggg h LEU 264 N 0.93 0.07 -1.58 1.54 3.38 -0.97 -2.33 115.31 116.34 3ggg h LEU 264 Ca 0.21 -0.72 0.01 0.00 0.09 0.00 0.00 57.88 57.47 3ggg h LEU 264 Cb 0.26 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3ggg h LEU 264 CO -0.01 0.78 0.29 -0.08 0.09 0.00 0.00 178.44 179.51 3ggg h GLU 265 N -0.63 0.56 -0.63 1.13 4.57 -0.36 -2.28 114.58 116.94 3ggg h GLU 265 Ca -0.01 -0.03 -0.24 0.00 -1.18 0.00 0.00 59.36 57.90 3ggg h GLU 265 Cb 0.78 -0.13 -0.14 0.00 -0.16 0.00 0.00 28.75 29.11 3ggg h GLU 265 CO 0.01 0.37 0.23 -1.71 -1.18 0.00 0.00 179.01 176.73 3ggg n ASN 266 N -4.47 3.94 -0.24 1.04 4.05 -0.01 -4.82 115.26 114.74 3ggg n ASN 266 Ca 0.04 -3.40 0.04 0.00 0.45 0.00 0.00 54.58 51.70 3ggg n ASN 266 Cb 0.06 -0.71 0.14 0.00 1.23 0.00 0.00 39.78 40.50 3ggg n ASN 266 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 177.26 174.71 3ggg h LYS 267 N 1.83 0.10 0.05 1.20 3.64 -0.82 -1.14 116.57 121.42 3ggg h LYS 267 Ca 0.29 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3ggg h LYS 267 Cb 2.16 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.96 3ggg h LYS 267 CO 0.66 0.06 -0.02 0.93 -2.27 0.00 0.00 179.45 178.81 3ggg h GLU 268 N 0.10 -0.06 -0.74 1.90 3.07 -1.87 -1.50 114.58 115.48 3ggg h GLU 268 Ca 0.39 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 59.37 3ggg h GLU 268 Cb 0.66 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.54 3ggg h GLU 268 CO -0.64 0.29 0.49 -0.91 -1.40 0.00 0.00 179.01 176.84 3ggg h ASN 269 N -0.42 0.47 -0.26 1.42 2.35 -1.85 -0.96 115.58 116.33 3ggg h ASN 269 Ca -0.01 0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.61 3ggg h ASN 269 Cb 0.38 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 3ggg h ASN 269 CO 0.01 0.26 -0.43 0.58 -1.65 0.00 0.00 177.43 176.20 3ggg h VAL 270 N 0.51 1.30 -0.23 2.81 2.07 -0.87 0.14 116.25 121.98 3ggg h VAL 270 Ca 0.35 -1.62 0.01 0.00 0.82 0.00 0.00 66.70 66.26 3ggg h VAL 270 Cb 0.67 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 3ggg h VAL 270 CO -0.12 0.52 0.13 0.24 0.02 0.00 0.00 177.57 178.36 3ggg h MET 271 N 0.50 0.26 -0.99 1.57 2.86 -1.05 0.15 114.93 118.23 3ggg h MET 271 Ca 0.02 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.70 3ggg h MET 271 Cb 1.03 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.57 3ggg h MET 271 CO 0.10 0.17 0.64 -0.22 1.06 0.00 0.00 176.91 178.66 3ggg h LYS 272 N 0.27 1.16 -0.10 1.72 3.64 -1.09 0.55 116.57 122.72 3ggg h LYS 272 Ca 0.09 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 3ggg h LYS 272 Cb 0.00 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.56 3ggg h LYS 272 CO -0.05 0.77 -0.15 0.00 -2.27 0.00 0.00 179.45 177.75 3ggg h ALA 273 N 1.43 0.15 -0.82 5.00 0.00 0.01 -2.07 119.26 122.96 3ggg h ALA 273 Ca 0.41 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3ggg h ALA 273 Cb 0.09 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 3ggg h ALA 273 CO -0.15 0.04 0.50 0.82 0.00 0.00 0.00 179.25 180.46 3ggg h ILE 274 N -0.17 1.02 -0.62 0.00 2.04 -0.69 -1.00 117.51 118.09 3ggg h ILE 274 Ca 0.01 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.58 3ggg h ILE 274 Cb 0.70 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 3ggg h ILE 274 CO 0.03 0.17 0.39 -0.08 0.00 0.00 0.00 178.15 178.66 3ggg h GLU 275 N 0.91 0.75 -0.30 2.37 4.81 -0.82 0.12 114.58 122.40 3ggg h GLU 275 Ca 0.36 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.60 3ggg h GLU 275 Cb 0.18 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 3ggg h GLU 275 CO -0.18 0.49 -0.05 0.78 -0.73 0.00 0.00 179.01 179.32 3ggg h GLY 276 N 0.77 0.24 0.93 1.92 0.00 -0.89 -2.53 103.07 103.50 3ggg h GLY 276 Ca 0.25 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.65 3ggg h GLY 276 CO -0.09 -0.10 0.09 -2.75 0.00 0.00 0.00 176.54 173.68 3ggg h PHE 277 N 0.02 0.23 -0.85 5.60 3.57 -0.73 -2.17 116.94 122.62 3ggg h PHE 277 Ca 0.14 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.78 3ggg h PHE 277 Cb 0.21 -0.07 -0.09 0.00 2.79 0.00 0.00 35.95 38.79 3ggg h PHE 277 CO -0.27 0.24 0.45 0.93 -2.23 0.00 0.00 178.31 177.43 3ggg h GLU 278 N 0.16 0.64 -0.30 1.11 5.08 -0.72 0.37 114.58 120.92 3ggg h GLU 278 Ca 0.06 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3ggg h GLU 278 Cb 0.09 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3ggg h GLU 278 CO -0.01 0.42 -0.11 0.87 -1.00 0.00 0.00 179.01 179.19 3ggg h LYS 279 N 0.66 0.51 -0.07 2.33 1.57 -0.96 0.84 116.57 121.44 3ggg h LYS 279 Ca 0.46 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 59.07 3ggg h LYS 279 Cb 0.61 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 3ggg h LYS 279 CO -0.34 0.61 -0.04 0.77 -0.57 0.00 0.00 179.45 179.88 3ggg h SER 280 N 0.47 0.16 -0.83 0.86 0.02 -0.56 0.12 113.55 113.80 3ggg h SER 280 Ca 0.09 -0.42 0.02 0.00 -0.84 0.00 0.00 61.79 60.64 3ggg h SER 280 Cb 0.47 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.92 3ggg h SER 280 CO 0.03 0.55 0.54 0.25 -1.14 0.00 0.00 176.83 177.06 3ggg h LEU 281 N -0.22 0.92 -0.83 5.07 5.85 0.14 -0.86 115.31 125.37 3ggg h LEU 281 Ca 0.02 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 3ggg h LEU 281 Cb 0.49 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3ggg h LEU 281 CO 0.01 0.65 0.11 0.78 -0.34 0.00 0.00 178.44 179.65 3ggg h ASN 282 N 1.08 0.93 -0.34 1.25 -0.26 0.78 0.19 115.58 119.21 3ggg h ASN 282 Ca 0.32 -0.20 0.01 0.00 -0.56 0.00 0.00 56.30 55.86 3ggg h ASN 282 Cb -0.06 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 36.93 3ggg h ASN 282 CO -0.09 0.93 0.22 -0.74 -1.06 0.00 0.00 177.43 176.69 3ggg h HIS 283 N 0.93 0.41 -0.25 1.19 2.76 -0.42 -2.49 115.15 117.28 3ggg h HIS 283 Ca 0.19 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.39 3ggg h HIS 283 Cb 0.39 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.19 3ggg h HIS 283 CO 0.03 0.25 0.10 1.25 -1.30 0.00 0.00 177.93 178.26 3ggg h LEU 284 N 0.45 0.12 -0.66 0.26 5.85 -0.62 -2.18 115.31 118.53 3ggg h LEU 284 Ca 0.13 0.02 0.13 0.00 0.84 0.00 0.00 57.88 59.00 3ggg h LEU 284 Cb -0.03 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 40.91 3ggg h LEU 284 CO -0.04 0.10 0.18 0.11 -0.34 0.00 0.00 178.44 178.46 3ggg h LYS 285 N 0.22 0.31 -0.24 1.25 1.57 -0.51 -1.71 116.57 117.44 3ggg h LYS 285 Ca 0.11 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.75 3ggg h LYS 285 Cb 0.06 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3ggg h LYS 285 CO -0.10 0.20 -0.37 0.93 -0.57 0.00 0.00 179.45 179.55 3ggg h GLU 286 N 0.32 0.54 -0.60 3.15 4.39 -0.98 0.11 114.58 121.51 3ggg h GLU 286 Ca 0.35 -0.26 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 3ggg h GLU 286 Cb 0.54 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 3ggg h GLU 286 CO -0.41 0.83 0.21 -0.07 -1.16 0.00 0.00 179.01 178.40 3ggg h LEU 287 N 0.46 0.82 0.42 1.33 3.38 -1.07 0.55 115.31 121.20 3ggg h LEU 287 Ca 0.05 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3ggg h LEU 287 Cb 0.85 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3ggg h LEU 287 CO 0.07 0.76 -0.20 0.40 0.09 0.00 0.00 178.44 179.56 3ggg h ILE 288 N 0.87 0.11 -0.72 1.22 2.04 -0.33 -1.48 117.51 119.22 3ggg h ILE 288 Ca 0.20 -0.61 0.16 0.00 1.00 0.00 0.00 64.86 65.61 3ggg h ILE 288 Cb 0.22 0.17 -0.11 0.00 -0.74 0.00 0.00 36.82 36.36 3ggg h ILE 288 CO -0.01 0.02 0.12 0.58 0.00 0.00 0.00 178.15 178.86 3ggg h VAL 289 N -1.12 0.48 -0.27 1.67 2.07 -0.83 0.06 116.25 118.30 3ggg h VAL 289 Ca -0.06 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3ggg h VAL 289 Cb 0.47 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3ggg h VAL 289 CO 0.09 0.04 0.00 0.54 0.02 0.00 0.00 177.57 178.26 3ggg n ARG 290 N -5.21 1.80 -3.78 1.57 1.74 0.18 -4.92 116.66 108.04 3ggg n ARG 290 Ca 0.13 -1.23 -0.29 0.00 -0.77 0.00 0.00 57.85 55.70 3ggg n ARG 290 Cb 0.45 -1.34 0.02 0.00 -1.02 0.00 0.00 32.46 30.57 3ggg n ARG 290 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3ggg n GLU 291 N 0.47 -2.26 -2.91 5.56 1.02 0.00 -4.90 120.64 117.62 3ggg n GLU 291 Ca 0.14 0.45 -0.44 0.00 -0.02 0.00 0.00 57.16 57.30 3ggg n GLU 291 Cb 0.32 -4.34 -0.03 0.00 -0.02 0.00 0.00 31.44 27.38 3ggg n GLU 291 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ggg s ALA 292 N -3.65 3.32 0.10 0.62 0.00 -0.63 -4.91 121.76 116.61 3ggg s ALA 292 Ca 0.27 -2.61 -0.23 0.00 0.00 0.00 0.00 51.96 49.39 3ggg s ALA 292 Cb -0.10 -4.02 -0.11 0.00 0.00 0.00 0.00 23.12 18.89 3ggg s ALA 292 CO 0.87 -2.95 1.71 0.93 0.00 0.00 0.00 175.76 176.32 3ggg h GLU 293 N 8.97 -0.10 -0.13 0.00 3.07 -1.90 0.17 114.58 124.65 3ggg h GLU 293 Ca 0.08 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.90 3ggg h GLU 293 Cb 1.03 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.96 3ggg h GLU 293 CO 1.12 -0.07 -0.11 1.49 -1.40 0.00 0.00 179.01 180.05 3ggg h GLU 294 N -0.11 0.31 -0.63 2.33 4.81 -1.99 -2.14 114.58 117.16 3ggg h GLU 294 Ca 0.02 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 59.00 3ggg h GLU 294 Cb 0.13 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3ggg h GLU 294 CO -0.05 0.68 0.03 0.93 -0.73 0.00 0.00 179.01 179.87 3ggg h GLU 295 N -0.06 1.09 -0.26 1.92 3.07 -1.95 -0.88 114.58 117.51 3ggg h GLU 295 Ca 0.02 -0.33 -0.01 0.00 -0.50 0.00 0.00 59.36 58.54 3ggg h GLU 295 Cb 0.62 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 3ggg h GLU 295 CO 0.03 1.05 0.11 1.25 -1.40 0.00 0.00 179.01 180.04 3ggg h LEU 296 N 1.00 0.35 -1.03 1.33 5.85 -0.62 -1.25 115.31 120.93 3ggg h LEU 296 Ca 0.18 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 3ggg h LEU 296 Cb 0.54 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3ggg h LEU 296 CO 0.03 0.41 0.07 1.62 -0.34 0.00 0.00 178.44 180.23 3ggg h VAL 297 N 0.27 1.23 -0.57 1.05 3.04 -1.18 -1.97 116.25 118.10 3ggg h VAL 297 Ca 0.09 -0.86 0.03 0.00 -1.01 0.00 0.00 66.70 64.94 3ggg h VAL 297 Cb 0.17 0.78 -0.04 0.00 -2.01 0.00 0.00 31.29 30.18 3ggg h VAL 297 CO -0.01 0.31 0.34 -0.33 -1.01 0.00 0.00 177.57 176.88 3ggg h GLU 298 N 0.73 0.65 -0.53 4.17 4.39 -0.84 -0.78 114.58 122.38 3ggg h GLU 298 Ca 0.16 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 3ggg h GLU 298 Cb 0.35 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 3ggg h GLU 298 CO 0.01 0.43 0.33 -0.92 -1.16 0.00 0.00 179.01 177.70 3ggg h TYR 299 N 0.67 0.70 0.00 4.33 3.20 -0.84 -2.90 116.97 122.14 3ggg h TYR 299 Ca 0.23 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.01 3ggg h TYR 299 Cb 0.04 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 3ggg h TYR 299 CO -0.06 0.47 -0.43 -0.07 -1.64 0.00 0.00 178.16 176.43 3ggg h LEU 300 N 0.72 0.00 -1.66 2.82 3.38 -1.13 -2.65 115.31 116.79 3ggg h LEU 300 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3ggg h LEU 300 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3ggg h LEU 300 CO -0.04 0.43 0.00 0.11 0.09 0.00 0.00 178.44 179.04 3ggg h LYS 301 N 0.00 0.00 0.00 1.13 1.79 -0.93 -2.88 116.57 115.68 3ggg h LYS 301 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3ggg h LYS 301 Cb 1.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 3ggg h LYS 301 CO 0.06 0.00 0.20 0.93 -1.08 0.00 0.00 179.45 179.55 3ggg h GLU 302 N 0.00 0.00 0.00 3.15 5.08 -1.44 0.18 114.58 121.55 3ggg h GLU 302 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ggg h GLU 302 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3ggg h GLU 302 CO 0.00 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.34 3ggg n VAL 303 N -2.96 0.85 1.45 3.13 0.24 -1.09 -3.08 118.33 116.87 3ggg n VAL 303 Ca -0.02 0.20 0.14 0.00 -2.04 0.00 0.00 64.34 62.61 3ggg n VAL 303 Cb 0.25 -1.02 0.51 0.00 -1.47 0.00 0.00 33.84 32.11 3ggg n VAL 303 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3ggg n LYS 304 N -1.86 1.34 -2.15 7.34 4.76 0.63 -4.96 118.16 123.26 3ggg n LYS 304 Ca 0.03 -0.74 -0.41 0.00 -2.87 0.00 0.00 58.31 54.32 3ggg n LYS 304 Cb 0.22 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.90 3ggg n LYS 304 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3ggg s ILE 305 N -2.17 2.93 0.30 -0.18 -5.25 -1.18 -4.91 121.20 110.75 3ggg s ILE 305 Ca 0.34 0.83 0.05 0.00 -0.99 0.00 0.00 60.65 60.87 3ggg s ILE 305 Cb 0.20 -3.53 0.30 0.00 2.95 0.00 0.00 42.46 42.38 3ggg s ILE 305 CO 0.40 0.15 1.80 0.50 -1.79 0.00 0.00 174.94 176.00 3ggg h LYS 306 N 4.61 0.81 0.00 0.37 1.63 -1.93 -3.52 116.57 118.53 3ggg h LYS 306 Ca -0.46 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.29 3ggg h LYS 306 Cb 1.22 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.67 3ggg h LYS 306 CO 0.73 0.54 0.00 0.54 -3.45 0.00 0.00 179.45 177.81