#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ggg n LYS 19 N 0.00 0.15 0.13 3.17 3.00 -1.26 -3.63 118.16 119.71 3ggg n LYS 19 Ca 0.00 0.37 0.11 0.00 -0.00 0.00 0.00 58.31 58.79 3ggg n LYS 19 Cb 0.00 -1.78 0.49 0.00 0.00 0.00 0.00 35.03 33.75 3ggg n LYS 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3ggg n ASN 20 N -2.05 0.55 -0.41 3.14 4.13 -1.26 -3.31 115.26 116.05 3ggg n ASN 20 Ca 0.03 0.69 0.00 0.00 1.68 0.00 0.00 54.58 56.97 3ggg n ASN 20 Cb 0.22 -0.78 0.00 0.00 -1.54 0.00 0.00 39.78 37.68 3ggg n ASN 20 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 3ggg n ILE 21 N -2.16 0.00 -0.11 2.41 -5.35 -1.24 -2.03 119.36 110.88 3ggg n ILE 21 Ca 0.01 0.00 0.13 0.00 -0.27 0.00 0.00 62.75 62.62 3ggg n ILE 21 Cb 0.13 -0.17 0.50 0.00 -1.74 0.00 0.00 39.64 38.36 3ggg n ILE 21 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 3ggg h ILE 22 N 0.00 0.87 -0.14 7.28 5.03 -1.89 -3.19 117.51 125.46 3ggg h ILE 22 Ca 0.00 -0.14 0.00 0.00 -0.12 0.00 0.00 64.86 64.60 3ggg h ILE 22 Cb 0.11 0.42 -0.01 0.00 -3.03 0.00 0.00 36.82 34.31 3ggg h ILE 22 CO 0.00 0.08 0.09 0.50 -0.68 0.00 0.00 178.15 178.14 3ggg h LYS 23 N 0.41 0.19 0.12 2.37 3.64 -1.75 -2.15 116.57 119.41 3ggg h LYS 23 Ca 0.30 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 3ggg h LYS 23 Cb 0.63 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3ggg h LYS 23 CO -0.09 0.15 -0.06 0.97 -2.27 0.00 0.00 179.45 178.15 3ggg h ILE 24 N 0.18 0.97 -0.81 2.00 6.09 -1.83 -1.67 117.51 122.44 3ggg h ILE 24 Ca 0.05 -0.38 0.17 0.00 -1.37 0.00 0.00 64.86 63.33 3ggg h ILE 24 Cb 0.00 1.21 -0.15 0.00 0.47 0.00 0.00 36.82 38.35 3ggg h ILE 24 CO -0.01 0.09 -0.13 -0.07 -3.07 0.00 0.00 178.15 174.96 3ggg h LEU 25 N -0.34 -0.63 -0.47 2.19 -0.00 -1.55 0.37 115.31 114.87 3ggg h LEU 25 Ca -0.02 0.23 0.04 0.00 -0.00 0.00 0.00 57.88 58.13 3ggg h LEU 25 Cb 0.28 0.46 -0.04 0.00 -0.00 0.00 0.00 40.66 41.36 3ggg h LEU 25 CO 0.03 -0.25 0.25 0.50 -0.00 0.00 0.00 178.44 178.96 3ggg h LYS 26 N 0.02 0.48 -0.19 1.13 3.64 -0.93 0.16 116.57 120.89 3ggg h LYS 26 Ca 0.41 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.66 3ggg h LYS 26 Cb 0.68 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 3ggg h LYS 26 CO -0.80 0.32 -0.32 1.03 -2.27 0.00 0.00 179.45 177.41 3ggg h SER 27 N 0.49 0.38 1.55 4.20 0.87 -0.15 -2.92 113.55 117.97 3ggg h SER 27 Ca 0.20 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3ggg h SER 27 Cb 0.09 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 3ggg h SER 27 CO -0.13 0.68 -0.20 -0.07 -0.53 0.00 0.00 176.83 176.59 3ggg h LEU 28 N 0.32 0.00 -1.85 2.23 4.07 -0.35 -3.35 115.31 116.39 3ggg h LEU 28 Ca 0.04 -0.03 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 3ggg h LEU 28 Cb 0.72 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.46 3ggg h LEU 28 CO 0.06 0.01 -0.02 0.77 -1.08 0.00 0.00 178.44 178.18 3ggg h SER 29 N 0.00 0.00 -1.01 -0.43 4.64 -0.49 -3.42 113.55 112.83 3ggg h SER 29 Ca 0.00 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.43 3ggg h SER 29 Cb 0.87 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.75 3ggg h SER 29 CO 0.00 0.02 -0.17 -0.32 -0.87 0.00 0.00 176.83 175.49 3ggg s MET 30 N -3.82 0.50 0.00 4.77 -2.45 -1.26 -4.98 119.30 112.06 3ggg s MET 30 Ca -0.01 0.95 0.00 0.00 -1.25 0.00 0.00 55.69 55.38 3ggg s MET 30 Cb 0.10 0.53 0.00 0.00 1.25 0.00 0.00 34.83 36.72 3ggg s MET 30 CO 0.52 -0.49 0.00 1.04 1.05 0.00 0.00 175.02 177.14 3ggg n GLN 31 N 5.42 2.60 -3.74 4.11 6.02 -1.26 -4.83 117.38 125.70 3ggg n GLN 31 Ca -0.04 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.69 3ggg n GLN 31 Cb 0.51 -0.85 -0.17 0.00 1.02 0.00 0.00 30.24 30.76 3ggg n GLN 31 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3ggg s ASN 32 N -2.20 2.47 -0.09 1.08 0.01 -1.26 -1.37 114.94 113.58 3ggg s ASN 32 Ca 0.00 -0.58 0.00 0.00 -0.71 0.00 0.00 52.86 51.57 3ggg s ASN 32 Cb 0.00 -0.53 -0.03 0.00 0.41 0.00 0.00 41.25 41.10 3ggg s ASN 32 CO 0.00 -0.27 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.54 3ggg s VAL 33 N 1.91 3.49 -0.18 1.60 1.01 0.49 -0.81 120.40 127.91 3ggg s VAL 33 Ca 0.01 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 3ggg s VAL 33 Cb -0.16 -2.44 -0.00 0.00 0.00 0.00 0.00 36.38 33.78 3ggg s VAL 33 CO -0.07 0.56 -0.12 -0.22 0.00 0.00 0.00 175.10 175.26 3ggg s LEU 34 N -0.37 2.59 -0.34 3.92 2.96 0.36 0.14 118.68 127.95 3ggg s LEU 34 Ca 0.05 -0.46 -0.20 0.00 -0.22 0.00 0.00 54.13 53.29 3ggg s LEU 34 Cb -0.12 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 44.95 3ggg s LEU 34 CO 0.02 0.03 0.64 -0.63 -1.32 0.00 0.00 176.35 175.09 3ggg s ILE 35 N 1.15 4.89 -0.28 6.68 -1.09 0.14 -0.60 121.20 132.09 3ggg s ILE 35 Ca 0.01 0.66 -0.15 0.00 -2.23 0.00 0.00 60.65 58.94 3ggg s ILE 35 Cb -0.14 -4.06 -0.03 0.00 -1.58 0.00 0.00 42.46 36.64 3ggg s ILE 35 CO -0.04 -0.28 0.38 -0.69 -1.23 0.00 0.00 174.94 173.09 3ggg s VAL 36 N 2.70 5.16 0.00 2.92 1.01 -0.99 -0.25 120.40 130.95 3ggg s VAL 36 Ca 0.25 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.74 3ggg s VAL 36 Cb -0.15 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.51 3ggg s VAL 36 CO 0.14 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.96 3ggg n GLY 37 N 4.71 -1.03 2.98 4.51 0.00 0.54 -0.21 105.19 116.69 3ggg n GLY 37 Ca -0.08 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.14 4.85 -1.18 1.61 0.31 -1.26 -4.02 118.33 118.51 3ggg n VAL 38 Ca 0.00 -5.23 0.00 0.00 -0.01 0.00 0.00 64.34 59.10 3ggg n VAL 38 Cb 0.00 -2.23 0.00 0.00 -0.91 0.00 0.00 33.84 30.70 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 2.11 4.15 0.15 2.92 0.00 -1.26 -4.15 105.19 109.11 3ggg n GLY 39 Ca 0.32 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 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 0.45 0.08 1.61 3.57 -1.87 0.20 116.94 120.98 3ggg h PHE 40 Ca 0.00 -0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.34 3ggg h PHE 40 Cb 0.00 -0.13 0.01 0.00 2.79 0.00 0.00 35.95 38.62 3ggg h PHE 40 CO 0.00 0.46 -0.56 0.52 -2.23 0.00 0.00 178.31 176.50 3ggg h MET 41 N 0.31 0.17 -0.53 1.11 2.86 -1.90 0.17 114.93 117.13 3ggg h MET 41 Ca 0.09 -0.30 0.11 0.00 -2.06 0.00 0.00 59.70 57.54 3ggg h MET 41 Cb 0.22 0.11 -0.09 0.00 0.06 0.00 0.00 31.60 31.89 3ggg h MET 41 CO -0.01 1.14 -0.04 0.78 1.06 0.00 0.00 176.91 179.85 3ggg h GLY 42 N -0.60 0.50 1.66 8.32 0.00 -1.70 -0.23 103.07 111.03 3ggg h GLY 42 Ca -0.11 0.10 -0.15 0.00 0.00 0.00 0.00 47.33 47.17 3ggg h GLY 42 CO 0.08 -0.17 -0.60 -1.33 0.00 0.00 0.00 176.54 174.52 3ggg h GLY 43 N 0.08 0.38 1.01 4.60 0.00 -0.61 -0.63 103.07 107.90 3ggg h GLY 43 Ca 0.27 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 3ggg h GLY 43 CO -0.48 0.42 0.03 1.76 0.00 0.00 0.00 176.54 178.27 3ggg h SER 44 N 0.26 0.86 0.06 0.19 0.02 -0.75 -0.23 113.55 113.96 3ggg h SER 44 Ca -0.00 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.65 3ggg h SER 44 Cb 1.11 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.43 3ggg h SER 44 CO 0.10 0.94 -0.03 0.15 -1.14 0.00 0.00 176.83 176.84 3ggg h PHE 45 N 0.75 -0.08 -0.60 3.45 3.57 -0.89 0.18 116.94 123.32 3ggg h PHE 45 Ca 0.15 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.75 3ggg h PHE 45 Cb 0.48 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.16 3ggg h PHE 45 CO 0.04 0.03 0.15 0.00 -2.23 0.00 0.00 178.31 176.30 3ggg h ALA 46 N 0.76 0.73 -0.14 2.41 0.00 -0.90 0.30 119.26 122.41 3ggg h ALA 46 Ca -0.01 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3ggg h ALA 46 Cb 0.14 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3ggg h ALA 46 CO 0.01 -0.28 -0.03 0.87 0.00 0.00 0.00 179.25 179.83 3ggg h LYS 47 N 0.29 0.27 -0.68 0.00 1.57 -0.86 -1.85 116.57 115.32 3ggg h LYS 47 Ca 0.31 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 3ggg h LYS 47 Cb 0.45 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 3ggg h LYS 47 CO -0.38 0.55 0.32 0.77 -0.57 0.00 0.00 179.45 180.14 3ggg h SER 48 N -0.02 0.90 -0.05 0.86 0.02 -0.12 -0.14 113.55 114.99 3ggg h SER 48 Ca 0.04 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 60.89 3ggg h SER 48 Cb 0.44 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.70 3ggg h SER 48 CO 0.01 0.78 -0.34 0.25 -1.14 0.00 0.00 176.83 176.39 3ggg h LEU 49 N 0.95 -1.05 -0.23 5.07 5.85 -0.40 -1.36 115.31 124.13 3ggg h LEU 49 Ca 0.23 0.14 0.05 0.00 0.84 0.00 0.00 57.88 59.15 3ggg h LEU 49 Cb 0.13 0.43 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 3ggg h LEU 49 CO -0.03 -0.39 -0.12 -0.09 -0.34 0.00 0.00 178.44 177.47 3ggg h ARG 50 N -0.47 -0.09 -0.01 1.25 2.43 -1.21 -2.78 114.38 113.50 3ggg h ARG 50 Ca 0.07 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3ggg h ARG 50 Cb 0.58 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3ggg h ARG 50 CO -0.31 -0.06 0.01 -0.09 -1.51 0.00 0.00 179.97 178.01 3ggg h ARG 51 N -0.10 0.00 -0.06 0.20 2.43 -0.83 0.14 114.38 116.17 3ggg h ARG 51 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3ggg h ARG 51 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3ggg h ARG 51 CO -0.30 0.00 0.00 -1.13 -1.51 0.00 0.00 179.97 177.03 3ggg n SER 52 N -4.09 0.06 0.00 -3.80 3.41 -0.53 -4.87 113.62 103.80 3ggg n SER 52 Ca -0.03 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 3ggg n SER 52 Cb 0.10 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 0.40 0.44 3.69 5.00 0.00 0.48 -5.04 105.19 110.17 3ggg n GLY 53 Ca 0.00 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 3ggg n GLY 53 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ggg s PHE 54 N -2.00 3.32 -1.71 1.61 5.36 -1.11 -4.94 117.98 118.50 3ggg s PHE 54 Ca 0.00 1.32 0.16 0.00 -0.96 0.00 0.00 56.93 57.46 3ggg s PHE 54 Cb 0.00 -3.37 0.05 0.00 -0.34 0.00 0.00 43.02 39.36 3ggg s PHE 54 CO 0.00 -1.06 0.92 1.63 -1.46 0.00 0.00 175.22 175.25 3ggg n LYS 55 N 4.80 1.56 -0.04 10.12 4.01 -1.26 -4.65 118.16 132.70 3ggg n LYS 55 Ca 0.10 -1.07 0.00 0.00 -0.51 0.00 0.00 58.31 56.83 3ggg n LYS 55 Cb 0.47 -1.29 0.00 0.00 -0.51 0.00 0.00 35.03 33.70 3ggg n LYS 55 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3ggg n GLY 56 N 1.08 -0.41 3.78 0.72 0.00 -1.26 -5.04 105.19 104.06 3ggg n GLY 56 Ca 0.08 -1.71 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.37 4.18 -0.25 1.61 -0.14 -0.47 -5.01 119.74 119.29 3ggg s LYS 57 Ca 0.00 0.55 -0.02 0.00 -1.36 0.00 0.00 55.97 55.14 3ggg s LYS 57 Cb 0.00 -3.31 0.02 0.00 -1.68 0.00 0.00 37.83 32.86 3ggg s LYS 57 CO 0.00 0.46 -0.05 0.42 -0.76 0.00 0.00 175.35 175.42 3ggg s ILE 58 N -0.40 3.02 0.15 2.17 1.01 -1.26 -0.38 121.20 125.52 3ggg s ILE 58 Ca 0.27 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 60.01 3ggg s ILE 58 Cb -0.17 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 3ggg s ILE 58 CO 0.14 0.20 0.15 -0.31 0.00 0.00 0.00 174.94 175.13 3ggg s TYR 59 N 1.35 3.21 0.06 3.97 2.02 0.12 -0.71 117.35 127.38 3ggg s TYR 59 Ca 0.01 0.02 0.09 0.00 -0.37 0.00 0.00 57.07 56.82 3ggg s TYR 59 Cb -0.16 -1.55 -0.03 0.00 -0.40 0.00 0.00 41.96 39.81 3ggg s TYR 59 CO -0.04 0.52 -0.25 0.20 -1.57 0.00 0.00 175.55 174.42 3ggg s GLY 60 N -3.04 1.48 -0.03 0.71 0.00 -0.53 0.28 107.32 106.18 3ggg s GLY 60 Ca 0.31 -1.30 0.01 0.00 0.00 0.00 0.00 44.72 43.75 3ggg s GLY 60 CO 0.24 -1.21 -0.06 -0.47 0.00 0.00 0.00 173.10 171.61 3ggg s TYR 61 N -0.89 0.75 -0.00 1.90 5.04 0.65 -1.49 117.35 123.31 3ggg s TYR 61 Ca 0.13 -0.19 -0.24 0.00 -2.44 0.00 0.00 57.07 54.33 3ggg s TYR 61 Cb -0.10 -0.61 0.05 0.00 0.35 0.00 0.00 41.96 41.65 3ggg s TYR 61 CO 0.04 -0.14 0.53 0.34 -1.34 0.00 0.00 175.55 174.97 3ggg s ASP 62 N 0.58 -0.46 0.23 4.32 2.15 -0.85 -0.34 116.67 122.31 3ggg s ASP 62 Ca -0.08 0.34 0.26 0.00 0.43 0.00 0.00 52.55 53.50 3ggg s ASP 62 Cb -0.11 0.47 0.79 0.00 -0.30 0.00 0.00 42.92 43.77 3ggg s ASP 62 CO 0.00 -0.62 1.76 0.16 -0.17 0.00 0.00 175.17 176.31 3ggg h ILE 63 N 3.11 0.00 -3.62 4.11 3.07 -1.86 -3.32 117.51 119.00 3ggg h ILE 63 Ca -0.29 -0.50 -0.69 0.00 1.55 0.00 0.00 64.86 64.93 3ggg h ILE 63 Cb 1.18 1.48 -0.22 0.00 -0.27 0.00 0.00 36.82 38.99 3ggg h ILE 63 CO 0.40 0.00 -0.50 0.21 -1.05 0.00 0.00 178.15 177.21 3ggg s ASN 64 N -4.65 5.84 0.37 2.16 3.04 -1.26 -4.95 114.94 115.50 3ggg s ASN 64 Ca 0.10 -0.70 0.27 0.00 0.04 0.00 0.00 52.86 52.56 3ggg s ASN 64 Cb 0.11 -2.08 1.32 0.00 -1.54 0.00 0.00 41.25 39.07 3ggg s ASN 64 CO 0.59 -0.31 1.81 1.55 -3.04 0.00 0.00 177.10 177.69 3ggg h PRO 65 N 8.47 0.00 0.08 0.43 0.13 -1.95 -2.36 132.00 136.79 3ggg h PRO 65 Ca -0.29 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.59 3ggg h PRO 65 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 3ggg h PRO 65 CO 0.66 0.00 -1.12 0.93 -0.23 0.00 0.00 178.00 178.24 3ggg h GLU 66 N 0.00 0.27 0.01 0.86 5.08 -1.98 -0.41 114.58 118.42 3ggg h GLU 66 Ca 0.00 -0.39 0.02 0.00 -1.00 0.00 0.00 59.36 57.99 3ggg h GLU 66 Cb 0.15 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3ggg h GLU 66 CO 0.00 1.14 -0.13 0.77 -1.00 0.00 0.00 179.01 179.79 3ggg h SER 67 N 0.10 -0.38 -0.09 1.42 0.02 -1.74 0.13 113.55 113.01 3ggg h SER 67 Ca -0.10 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3ggg h SER 67 Cb 1.82 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 64.50 3ggg h SER 67 CO 0.18 -0.19 -0.01 0.40 -1.14 0.00 0.00 176.83 176.07 3ggg h ILE 68 N -0.23 0.92 -0.17 3.27 1.08 -1.58 -2.38 117.51 118.43 3ggg h ILE 68 Ca 0.04 -0.01 0.05 0.00 -0.39 0.00 0.00 64.86 64.55 3ggg h ILE 68 Cb 0.28 0.90 -0.05 0.00 -3.07 0.00 0.00 36.82 34.88 3ggg h ILE 68 CO -0.12 0.00 -0.17 0.28 -0.69 0.00 0.00 178.15 177.46 3ggg h SER 69 N 0.02 -0.53 -0.66 1.72 0.02 -0.73 -0.97 113.55 112.41 3ggg h SER 69 Ca 0.04 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 3ggg h SER 69 Cb 0.06 0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 3ggg h SER 69 CO -0.08 -0.21 0.34 0.11 -1.14 0.00 0.00 176.83 175.84 3ggg h LYS 70 N -0.19 0.94 -0.44 3.45 1.57 -0.80 -2.88 116.57 118.21 3ggg h LYS 70 Ca 0.11 -0.12 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 3ggg h LYS 70 Cb 0.36 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3ggg h LYS 70 CO -0.28 0.73 -0.24 0.00 -0.57 0.00 0.00 179.45 179.09 3ggg h ALA 71 N 1.16 0.75 -0.02 3.86 0.00 -1.15 -1.98 119.26 121.88 3ggg h ALA 71 Ca 0.23 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ggg h ALA 71 Cb 0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ggg h ALA 71 CO -0.03 0.66 0.01 0.28 0.00 0.00 0.00 179.25 180.16 3ggg h VAL 72 N 0.78 1.17 0.00 0.00 2.07 -1.16 0.16 116.25 119.26 3ggg h VAL 72 Ca 0.10 -0.50 -0.08 0.00 0.82 0.00 0.00 66.70 67.04 3ggg h VAL 72 Cb 0.79 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 3ggg h VAL 72 CO 0.07 0.13 -0.38 -2.24 0.02 0.00 0.00 177.57 175.17 3ggg h ASP 73 N -0.17 0.00 0.59 0.57 3.04 -1.49 -1.32 116.42 117.64 3ggg h ASP 73 Ca 0.01 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.80 3ggg h ASP 73 Cb 0.21 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.50 3ggg h ASP 73 CO -0.00 0.38 0.00 0.18 -2.04 0.00 0.00 179.24 177.76 3ggg n LEU 74 N -3.63 0.00 -0.18 0.15 4.77 -0.75 -4.93 117.00 112.43 3ggg n LEU 74 Ca -0.01 0.43 -0.02 0.00 -0.03 0.00 0.00 56.01 56.38 3ggg n LEU 74 Cb 0.48 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 3ggg n LEU 74 CO 0.37 -0.13 -0.02 0.61 -1.33 0.00 0.00 177.39 176.88 3ggg n GLY 75 N 0.54 0.57 0.12 -0.72 0.00 -0.50 -4.96 105.19 100.24 3ggg n GLY 75 Ca 0.06 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.15 3ggg n GLY 75 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3ggg h ILE 76 N 0.00 1.11 -2.71 -0.61 2.04 -0.89 -3.45 117.51 113.00 3ggg h ILE 76 Ca -0.05 -2.75 -0.49 0.00 1.00 0.00 0.00 64.86 62.58 3ggg h ILE 76 Cb 0.18 2.75 -0.14 0.00 -0.74 0.00 0.00 36.82 38.87 3ggg h ILE 76 CO 0.07 0.82 -0.73 0.27 0.00 0.00 0.00 178.15 178.57 3ggg s ILE 77 N -2.61 1.89 -0.04 -0.67 -4.36 -1.11 -4.64 121.20 109.66 3ggg s ILE 77 Ca -0.10 -2.25 0.05 0.00 -0.26 0.00 0.00 60.65 58.10 3ggg s ILE 77 Cb 0.07 -2.14 -0.24 0.00 1.25 0.00 0.00 42.46 41.39 3ggg s ILE 77 CO 0.85 -0.53 0.69 0.44 0.24 0.00 0.00 174.94 176.64 3ggg h ASP 78 N 2.47 0.15 -5.00 4.36 3.32 -1.23 -3.38 116.42 117.11 3ggg h ASP 78 Ca -0.39 -0.29 0.06 0.00 0.02 0.00 0.00 57.03 56.44 3ggg h ASP 78 Cb 1.23 -0.05 -0.09 0.00 0.22 0.00 0.00 39.33 40.64 3ggg h ASP 78 CO 0.62 1.25 0.29 -1.83 -1.72 0.00 0.00 179.24 177.85 3ggg s GLU 79 N -2.60 1.40 0.38 3.56 -1.05 -1.25 -4.99 118.70 114.13 3ggg s GLU 79 Ca -0.08 -0.67 -0.09 0.00 -0.15 0.00 0.00 54.97 53.98 3ggg s GLU 79 Cb 0.08 0.54 0.04 0.00 -0.44 0.00 0.00 34.13 34.35 3ggg s GLU 79 CO 0.82 -0.63 0.66 0.41 0.95 0.00 0.00 175.26 177.47 3ggg n GLY 80 N -0.41 1.47 3.33 -3.83 0.00 -1.26 -1.46 105.19 103.04 3ggg n GLY 80 Ca -0.10 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.43 0.07 -1.60 2.61 -1.32 -0.55 -4.93 115.64 107.50 3ggg s THR 81 Ca 0.22 -0.72 0.19 0.00 -1.21 0.00 0.00 61.69 60.17 3ggg s THR 81 Cb -0.03 -1.28 -0.05 0.00 -1.51 0.00 0.00 72.50 69.63 3ggg s THR 81 CO 0.16 -0.33 0.94 0.35 -2.21 0.00 0.00 174.62 173.53 3ggg n THR 82 N -0.22 0.00 -3.22 5.08 -2.24 -1.25 -2.01 114.28 110.42 3ggg n THR 82 Ca -0.15 -0.24 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 3ggg n THR 82 Cb 0.63 1.18 -0.08 0.00 -2.10 0.00 0.00 70.33 69.97 3ggg n THR 82 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3ggg s SER 83 N -2.34 6.39 0.22 3.42 0.01 -1.26 -4.75 113.70 115.39 3ggg s SER 83 Ca 0.14 0.30 -0.08 0.00 1.31 0.00 0.00 55.95 57.62 3ggg s SER 83 Cb 0.15 -2.28 0.24 0.00 0.21 0.00 0.00 66.02 64.35 3ggg s SER 83 CO 0.56 -0.38 1.85 -0.29 0.41 0.00 0.00 173.24 175.38 3ggg h ILE 84 N 5.50 1.08 0.00 1.44 6.09 -1.96 -0.85 117.51 128.81 3ggg h ILE 84 Ca -0.28 -0.31 -0.00 0.00 -1.37 0.00 0.00 64.86 62.89 3ggg h ILE 84 Cb 1.13 0.09 -0.00 0.00 0.47 0.00 0.00 36.82 38.51 3ggg h ILE 84 CO 0.75 0.17 -0.00 0.00 -3.07 0.00 0.00 178.15 175.99 3ggg h ALA 85 N 1.34 1.02 0.00 0.18 0.00 -1.96 -2.14 119.26 117.70 3ggg h ALA 85 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3ggg h ALA 85 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ggg h ALA 85 CO -0.13 0.00 0.00 0.87 0.00 0.00 0.00 179.25 179.99 3ggg h LYS 86 N 0.00 0.00 -0.77 0.00 1.57 -1.57 -3.34 116.57 112.46 3ggg h LYS 86 Ca -0.00 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 3ggg h LYS 86 Cb 0.07 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.30 3ggg h LYS 86 CO 0.00 0.00 0.40 0.28 -0.57 0.00 0.00 179.45 179.56 3ggg h VAL 87 N 0.00 0.82 -1.32 0.50 2.07 -1.43 -1.52 116.25 115.37 3ggg h VAL 87 Ca 0.00 -0.22 0.42 0.00 0.82 0.00 0.00 66.70 67.72 3ggg h VAL 87 Cb 0.75 0.13 -0.12 0.00 -1.52 0.00 0.00 31.29 30.52 3ggg h VAL 87 CO 0.00 0.12 0.86 -0.08 0.02 0.00 0.00 177.57 178.49 3ggg h GLU 88 N 0.64 0.10 0.00 1.57 4.81 -1.76 0.84 114.58 120.78 3ggg h GLU 88 Ca 0.39 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 3ggg h GLU 88 Cb 0.45 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 3ggg h GLU 88 CO -0.29 0.07 -0.10 -0.44 -0.73 0.00 0.00 179.01 177.52 3ggg h ASP 89 N 0.11 0.00 -0.10 1.04 3.32 -1.53 -2.73 116.42 116.52 3ggg h ASP 89 Ca 0.80 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.85 3ggg h ASP 89 Cb 2.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.07 3ggg h ASP 89 CO -0.38 0.10 0.00 0.49 -1.72 0.00 0.00 179.24 177.73 3ggg n PHE 90 N -3.90 0.13 -1.41 4.55 3.72 0.29 -4.96 117.46 115.88 3ggg n PHE 90 Ca -0.02 -0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3ggg n PHE 90 Cb 0.19 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 3ggg n PHE 90 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3ggg n SER 91 N -0.18 0.00 -4.76 4.37 3.41 -1.03 -4.80 113.62 110.62 3ggg n SER 91 Ca 0.13 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.36 3ggg n SER 91 Cb 0.19 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.16 3ggg n SER 91 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3ggg s PRO 92 N -1.54 3.44 0.00 4.33 0.04 -1.26 -4.73 135.00 135.28 3ggg s PRO 92 Ca 0.00 2.14 0.04 0.00 0.04 0.00 0.00 61.00 63.22 3ggg s PRO 92 Cb 0.00 -2.39 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 3ggg s PRO 92 CO 0.00 -0.92 0.29 -0.40 0.04 0.00 0.00 177.00 176.01 3ggg n ASP 93 N -0.68 0.50 -3.70 6.66 5.68 0.01 -4.67 116.55 120.34 3ggg n ASP 93 Ca 0.08 -0.75 -0.19 0.00 -0.50 0.00 0.00 54.79 53.44 3ggg n ASP 93 Cb 0.45 0.73 -0.17 0.00 -1.14 0.00 0.00 41.12 40.99 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 -1.10 0.08 -0.07 2.11 5.36 -0.96 0.52 117.98 123.92 3ggg s PHE 94 Ca 0.02 0.20 0.04 0.00 -0.96 0.00 0.00 56.93 56.23 3ggg s PHE 94 Cb 0.03 -0.43 0.00 0.00 -0.34 0.00 0.00 43.02 42.29 3ggg s PHE 94 CO 0.13 -0.17 -0.18 0.08 -1.46 0.00 0.00 175.22 173.62 3ggg s VAL 95 N 1.84 1.59 -0.36 3.12 1.01 0.57 -0.48 120.40 127.69 3ggg s VAL 95 Ca 0.01 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 3ggg s VAL 95 Cb -0.12 -1.39 0.08 0.00 0.00 0.00 0.00 36.38 34.95 3ggg s VAL 95 CO -0.03 0.45 0.12 -0.32 0.00 0.00 0.00 175.10 175.32 3ggg s MET 96 N 0.34 2.20 -0.08 2.72 1.75 0.23 -0.95 119.30 125.49 3ggg s MET 96 Ca -0.13 -1.57 -0.30 0.00 -1.25 0.00 0.00 55.69 52.45 3ggg s MET 96 Cb -0.15 -3.42 -0.04 0.00 2.84 0.00 0.00 34.83 34.06 3ggg s MET 96 CO 0.05 -0.87 1.39 -0.51 -0.65 0.00 0.00 175.02 174.43 3ggg s LEU 97 N 1.20 4.26 0.00 4.11 1.43 0.44 -2.36 118.68 127.77 3ggg s LEU 97 Ca 0.03 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 3ggg s LEU 97 Cb -0.21 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.46 3ggg s LEU 97 CO -0.03 -0.78 0.40 -1.20 0.23 0.00 0.00 176.35 174.98 3ggg n SER 98 N 6.31 0.00 -3.56 2.29 7.64 0.71 -1.85 113.62 125.15 3ggg n SER 98 Ca 0.14 -1.00 -0.28 0.00 1.01 0.00 0.00 58.87 58.74 3ggg n SER 98 Cb 0.44 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.86 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 0.00 -1.44 -4.76 6.43 3.41 -0.94 -4.50 113.62 111.83 3ggg n SER 99 Ca 0.00 -1.21 -0.38 0.00 -0.26 0.00 0.00 58.87 57.01 3ggg n SER 99 Cb 0.48 -0.94 0.02 0.00 -0.26 0.00 0.00 64.21 63.51 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 -5.43 3.45 0.57 4.33 0.02 -1.26 -4.89 135.00 131.79 3ggg s PRO 100 Ca 0.67 2.16 0.27 0.00 0.02 0.00 0.00 61.00 64.12 3ggg s PRO 100 Cb -0.05 -2.41 1.58 0.00 0.02 0.00 0.00 34.50 33.64 3ggg s PRO 100 CO 0.50 -0.92 2.09 -0.39 -0.33 0.00 0.00 177.00 177.95 3ggg h VAL 101 N 1.78 0.57 0.00 3.83 -1.51 -1.98 -0.66 116.25 118.28 3ggg h VAL 101 Ca -0.50 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 64.95 3ggg h VAL 101 Cb 1.28 0.84 -0.00 0.00 -2.13 0.00 0.00 31.29 31.28 3ggg h VAL 101 CO 0.59 0.00 -0.05 0.03 -1.23 0.00 0.00 177.57 176.91 3ggg h ARG 102 N 0.00 0.00 0.00 5.19 2.47 -1.94 -2.49 114.38 117.62 3ggg h ARG 102 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 3ggg h ARG 102 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 3ggg h ARG 102 CO -0.00 0.05 0.00 1.79 0.56 0.00 0.00 179.97 182.37 3ggg h THR 103 N 0.00 0.00 -0.65 2.04 1.35 -1.47 -3.40 112.91 110.78 3ggg h THR 103 Ca -0.00 -0.72 -0.04 0.00 -0.55 0.00 0.00 66.41 65.10 3ggg h THR 103 Cb 0.19 1.71 -0.03 0.00 -1.73 0.00 0.00 68.15 68.29 3ggg h THR 103 CO 0.01 0.00 0.25 -0.26 -0.25 0.00 0.00 175.52 175.26 3ggg h PHE 104 N 0.00 1.00 0.03 4.73 -1.00 -1.56 -2.10 116.94 118.03 3ggg h PHE 104 Ca 0.00 -0.08 -0.00 0.00 2.81 0.00 0.00 57.97 60.70 3ggg h PHE 104 Cb 0.84 -0.30 0.00 0.00 3.61 0.00 0.00 35.95 40.11 3ggg h PHE 104 CO 0.00 0.79 -0.01 0.00 -1.61 0.00 0.00 178.31 177.48 3ggg h ARG 105 N 0.91 -0.03 0.09 1.51 3.08 -1.78 -0.09 114.38 118.07 3ggg h ARG 105 Ca 0.21 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 3ggg h ARG 105 Cb 0.23 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 3ggg h ARG 105 CO -0.02 0.04 -0.06 1.49 -1.07 0.00 0.00 179.97 180.35 3ggg h GLU 106 N -0.09 -0.15 -0.79 0.04 4.81 -1.79 0.48 114.58 117.09 3ggg h GLU 106 Ca -0.00 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 3ggg h GLU 106 Cb 0.08 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 3ggg h GLU 106 CO 0.01 -0.10 0.37 0.82 -0.73 0.00 0.00 179.01 179.38 3ggg h ILE 107 N -0.16 1.25 -0.08 2.32 2.04 -1.35 -1.34 117.51 120.20 3ggg h ILE 107 Ca -0.00 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.08 3ggg h ILE 107 Cb 0.14 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3ggg h ILE 107 CO 0.00 0.30 -0.22 0.00 0.00 0.00 0.00 178.15 178.23 3ggg h ALA 108 N 1.19 1.49 -0.66 1.87 0.00 -0.57 0.14 119.26 122.72 3ggg h ALA 108 Ca 0.27 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3ggg h ALA 108 Cb 0.13 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3ggg h ALA 108 CO -0.03 0.37 0.39 0.87 0.00 0.00 0.00 179.25 180.84 3ggg h LYS 109 N 0.12 0.71 0.00 0.00 1.57 0.23 -2.04 116.57 117.16 3ggg h LYS 109 Ca 0.02 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 3ggg h LYS 109 Cb 0.46 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3ggg h LYS 109 CO 0.03 0.47 -0.79 0.87 -0.57 0.00 0.00 179.45 179.46 3ggg h LYS 110 N 0.73 0.00 0.00 3.15 1.57 -0.66 -3.18 116.57 118.17 3ggg h LYS 110 Ca 0.29 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.95 3ggg h LYS 110 Cb 0.12 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3ggg h LYS 110 CO -0.15 0.77 -0.57 -0.07 -0.57 0.00 0.00 179.45 178.85 3ggg h LEU 111 N 0.00 0.00 -2.36 2.94 3.38 -0.59 -3.31 115.31 115.36 3ggg h LEU 111 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ggg h LEU 111 Cb 1.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.35 3ggg h LEU 111 CO 0.10 0.57 0.01 0.77 0.09 0.00 0.00 178.44 179.98 3ggg h SER 112 N 0.00 0.00 0.09 -0.43 4.64 -1.35 0.42 113.55 116.91 3ggg h SER 112 Ca -0.01 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 3ggg h SER 112 Cb 1.11 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.18 3ggg h SER 112 CO 0.07 0.00 -1.92 -1.22 -0.87 0.00 0.00 176.83 172.89 3ggg n TYR 113 N -4.00 1.07 -0.11 4.77 4.02 -1.25 -4.46 117.16 117.20 3ggg n TYR 113 Ca -0.03 0.27 -0.10 0.00 -0.01 0.00 0.00 57.90 58.03 3ggg n TYR 113 Cb 0.09 -1.13 -0.02 0.00 -0.02 0.00 0.00 39.34 38.26 3ggg n TYR 113 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 3ggg h ILE 114 N -0.16 1.19 -3.54 -0.72 2.04 -1.40 -3.44 117.51 111.47 3ggg h ILE 114 Ca -0.43 -0.60 -0.52 0.00 1.00 0.00 0.00 64.86 64.31 3ggg h ILE 114 Cb 1.88 0.94 0.03 0.00 -0.74 0.00 0.00 36.82 38.92 3ggg h ILE 114 CO 0.00 0.21 0.58 -0.76 0.00 0.00 0.00 178.15 178.18 3ggg s LEU 115 N -9.78 4.45 0.69 1.44 1.43 0.05 -4.93 118.68 112.03 3ggg s LEU 115 Ca -0.13 2.33 -0.16 0.00 -1.03 0.00 0.00 54.13 55.13 3ggg s LEU 115 Cb 0.09 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.72 3ggg s LEU 115 CO 0.74 -0.40 1.22 -0.94 0.23 0.00 0.00 176.35 177.21 3ggg s SER 116 N -0.02 4.44 0.61 2.29 1.04 -1.26 -4.88 113.70 115.91 3ggg s SER 116 Ca 0.52 2.42 0.27 0.00 0.48 0.00 0.00 55.95 59.64 3ggg s SER 116 Cb -0.34 -2.60 1.35 0.00 0.10 0.00 0.00 66.02 64.53 3ggg s SER 116 CO 0.39 -2.10 1.76 -0.33 0.98 0.00 0.00 173.24 173.94 3ggg h GLU 117 N 0.07 0.00 -0.17 4.02 4.39 -1.95 -1.20 114.58 119.73 3ggg h GLU 117 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3ggg h GLU 117 Cb 1.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 3ggg h GLU 117 CO 0.51 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 178.11 3ggg n ASP 118 N -3.44 2.24 -4.79 1.42 8.00 -1.26 -4.84 116.55 113.87 3ggg n ASP 118 Ca 0.09 -1.78 -0.34 0.00 0.71 0.00 0.00 54.79 53.47 3ggg n ASP 118 Cb 0.78 -0.11 -0.01 0.00 -0.02 0.00 0.00 41.12 41.77 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 -1.79 2.76 -0.13 2.24 0.00 -0.45 -4.95 121.76 119.44 3ggg s ALA 119 Ca 0.34 0.61 -0.01 0.00 0.00 0.00 0.00 51.96 52.90 3ggg s ALA 119 Cb 0.20 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 3ggg s ALA 119 CO 0.29 -0.63 -0.10 0.99 0.00 0.00 0.00 175.76 176.32 3ggg s THR 120 N -2.07 3.35 -0.10 0.00 2.01 0.19 -4.58 115.64 114.44 3ggg s THR 120 Ca 0.68 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 62.13 3ggg s THR 120 Cb -0.19 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.88 3ggg s THR 120 CO 0.28 0.52 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.92 3ggg s VAL 121 N 0.27 3.23 0.35 3.82 1.01 0.14 -0.31 120.40 128.91 3ggg s VAL 121 Ca -0.07 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.31 3ggg s VAL 121 Cb -0.15 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 3ggg s VAL 121 CO 0.04 0.55 0.41 0.28 0.00 0.00 0.00 175.10 176.39 3ggg s THR 122 N -0.18 0.00 0.28 3.92 -1.32 -0.13 -0.34 115.64 117.87 3ggg s THR 122 Ca 0.00 -1.77 -0.11 0.00 -1.21 0.00 0.00 61.69 58.61 3ggg s THR 122 Cb -0.13 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.24 3ggg s THR 122 CO 0.03 0.00 0.50 1.51 -2.21 0.00 0.00 174.62 174.45 3ggg s ASP 123 N -3.32 0.13 -0.12 8.08 -4.77 -1.24 -0.42 116.67 115.02 3ggg s ASP 123 Ca 0.35 -1.07 0.15 0.00 -3.30 0.00 0.00 52.55 48.68 3ggg s ASP 123 Cb 0.00 0.63 0.27 0.00 -1.09 0.00 0.00 42.92 42.73 3ggg s ASP 123 CO 0.25 -1.22 1.14 0.00 0.70 0.00 0.00 175.17 176.04 3ggg n GLN 124 N -0.43 1.06 -2.29 2.11 6.02 -0.77 -3.81 117.38 119.26 3ggg n GLN 124 Ca -0.02 -2.41 -0.38 0.00 -0.01 0.00 0.00 57.00 54.19 3ggg n GLN 124 Cb 0.62 -1.28 -0.02 0.00 1.02 0.00 0.00 30.24 30.58 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 -2.58 2.87 0.02 1.08 0.00 -1.18 -4.56 107.32 102.97 3ggg s GLY 125 Ca 0.28 0.98 0.25 0.00 0.00 0.00 0.00 44.72 46.22 3ggg s GLY 125 CO -0.00 1.49 1.80 -1.26 0.00 0.00 0.00 173.10 175.13 3ggg n SER 126 N 0.09 0.06 -4.39 1.64 2.88 -1.26 -4.37 113.62 108.25 3ggg n SER 126 Ca 0.04 0.51 -0.24 0.00 -1.33 0.00 0.00 58.87 57.85 3ggg n SER 126 Cb 0.46 -0.52 -0.11 0.00 -0.75 0.00 0.00 64.21 63.29 3ggg n SER 126 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3ggg s VAL 127 N -3.01 2.15 0.00 2.46 -7.23 -1.26 -5.06 120.40 108.45 3ggg s VAL 127 Ca 0.12 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 3ggg s VAL 127 Cb 0.16 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 35.05 3ggg s VAL 127 CO 0.46 -0.25 0.00 0.29 -0.31 0.00 0.00 175.10 175.29 3ggg n LYS 128 N 0.11 0.00 0.00 4.82 4.76 -1.26 -4.94 118.16 121.65 3ggg n LYS 128 Ca -0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 3ggg n LYS 128 Cb 0.57 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.76 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 2.89 2.79 0.34 0.72 0.00 -0.84 -1.82 105.19 109.28 3ggg n GLY 129 Ca 0.00 -0.36 0.16 0.00 0.00 0.00 0.00 46.02 45.82 3ggg n GLY 129 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ggg h LYS 130 N 0.00 0.00 -0.92 1.61 1.63 -1.92 -1.50 116.57 115.47 3ggg h LYS 130 Ca 0.00 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 59.89 3ggg h LYS 130 Cb 0.00 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.56 3ggg h LYS 130 CO 0.00 0.00 0.59 1.25 -3.45 0.00 0.00 179.45 177.84 3ggg h LEU 131 N 0.00 0.85 -0.16 5.20 5.85 -1.74 0.41 115.31 125.72 3ggg h LEU 131 Ca 0.15 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 3ggg h LEU 131 Cb 0.63 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3ggg h LEU 131 CO -0.00 0.50 -0.00 0.58 -0.34 0.00 0.00 178.44 179.18 3ggg h VAL 132 N 0.94 1.26 -0.74 1.05 2.07 -1.31 -0.18 116.25 119.34 3ggg h VAL 132 Ca 0.42 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 67.11 3ggg h VAL 132 Cb 0.37 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 3ggg h VAL 132 CO -0.18 0.25 0.47 1.88 0.02 0.00 0.00 177.57 180.01 3ggg h TYR 133 N 0.03 0.89 -0.58 1.57 0.05 -1.52 0.80 116.97 118.21 3ggg h TYR 133 Ca 0.05 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 3ggg h TYR 133 Cb 0.38 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 3ggg h TYR 133 CO 0.04 0.53 0.30 -0.44 -1.05 0.00 0.00 178.16 177.53 3ggg h ASP 134 N 0.94 0.74 -0.17 3.88 3.45 -0.84 -1.13 116.42 123.29 3ggg h ASP 134 Ca 0.29 -0.11 -0.13 0.00 0.43 0.00 0.00 57.03 57.50 3ggg h ASP 134 Cb -0.03 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.54 3ggg h ASP 134 CO -0.09 0.64 -0.35 -0.07 -1.57 0.00 0.00 179.24 177.80 3ggg h LEU 135 N 0.78 0.72 -0.69 1.55 3.38 -0.45 -1.62 115.31 118.98 3ggg h LEU 135 Ca 0.20 -0.31 -0.14 0.00 0.09 0.00 0.00 57.88 57.72 3ggg h LEU 135 Cb 0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3ggg h LEU 135 CO -0.03 1.01 -0.55 1.05 0.09 0.00 0.00 178.44 180.01 3ggg h GLU 136 N 0.58 0.30 -0.11 1.13 4.11 -0.78 0.73 114.58 120.54 3ggg h GLU 136 Ca 0.06 -0.19 -0.07 0.00 0.07 0.00 0.00 59.36 59.23 3ggg h GLU 136 Cb 0.87 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 3ggg h GLU 136 CO 0.08 0.77 -0.27 -0.91 0.07 0.00 0.00 179.01 178.75 3ggg h ASN 137 N 0.23 0.20 -0.01 3.06 2.35 -1.00 0.56 115.58 120.97 3ggg h ASN 137 Ca 0.00 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 3ggg h ASN 137 Cb 1.04 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.36 3ggg h ASN 137 CO 0.09 0.47 -0.10 0.40 -1.65 0.00 0.00 177.43 176.64 3ggg h ILE 138 N 0.18 1.56 -0.32 2.81 2.04 -0.97 -3.35 117.51 119.46 3ggg h ILE 138 Ca 0.03 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 64.10 3ggg h ILE 138 Cb 0.57 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.38 3ggg h ILE 138 CO 0.04 0.48 0.00 0.18 0.00 0.00 0.00 178.15 178.85 3ggg n LEU 139 N -4.64 2.66 0.00 1.44 4.77 0.22 -4.90 117.00 116.55 3ggg n LEU 139 Ca -0.09 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 54.72 3ggg n LEU 139 Cb 0.41 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3ggg n LEU 139 CO 0.36 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 3ggg n GLY 140 N 1.33 1.21 0.00 -0.72 0.00 0.19 -2.81 105.19 104.40 3ggg n GLY 140 Ca 0.18 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00 6.56 0.00 1.61 4.76 -1.26 -4.65 118.16 125.19 3ggg n LYS 141 Ca 0.00 -0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.54 3ggg n LYS 141 Cb 0.00 -0.53 0.47 0.00 -1.84 0.00 0.00 35.03 33.13 3ggg n LYS 141 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3ggg n ARG 142 N -1.03 0.15 -4.28 1.97 1.74 -1.12 -4.31 116.66 109.78 3ggg n ARG 142 Ca 0.00 0.12 -0.34 0.00 -0.77 0.00 0.00 57.85 56.86 3ggg n ARG 142 Cb 0.00 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.84 3ggg n ARG 142 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3ggg s PHE 143 N -2.78 3.14 -0.11 -1.55 5.36 -1.26 0.26 117.98 121.05 3ggg s PHE 143 Ca 0.15 -0.02 -0.01 0.00 -0.96 0.00 0.00 56.93 56.09 3ggg s PHE 143 Cb 0.13 -1.93 0.03 0.00 -0.34 0.00 0.00 43.02 40.91 3ggg s PHE 143 CO 0.34 0.20 -0.05 0.08 -1.46 0.00 0.00 175.22 174.32 3ggg s VAL 144 N -0.07 0.86 0.27 3.12 1.01 0.53 -4.73 120.40 121.39 3ggg s VAL 144 Ca 0.04 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.52 3ggg s VAL 144 Cb -0.13 -0.93 -0.09 0.00 0.00 0.00 0.00 36.38 35.23 3ggg s VAL 144 CO 0.02 0.32 1.02 -0.83 0.00 0.00 0.00 175.10 175.62 3ggg s GLY 145 N 1.77 3.05 0.07 4.51 0.00 -1.26 -3.68 107.32 111.79 3ggg s GLY 145 Ca 0.05 0.75 -0.08 0.00 0.00 0.00 0.00 44.72 45.43 3ggg s GLY 145 CO -0.07 1.32 0.17 -0.32 0.00 0.00 0.00 173.10 174.20 3ggg s GLY 146 N -1.09 0.10 -0.24 0.20 0.00 -1.25 -1.69 107.32 103.35 3ggg s GLY 146 Ca 0.44 -0.58 -0.02 0.00 0.00 0.00 0.00 44.72 44.56 3ggg s GLY 146 CO 0.35 -0.76 0.34 -1.58 0.00 0.00 0.00 173.10 171.45 3ggg s HIS 147 N -3.55 -0.68 -0.11 1.90 2.46 0.44 -3.12 115.29 112.64 3ggg s HIS 147 Ca 0.03 0.57 -0.27 0.00 0.47 0.00 0.00 55.06 55.86 3ggg s HIS 147 Cb 0.04 -0.12 -0.02 0.00 -0.13 0.00 0.00 32.58 32.35 3ggg s HIS 147 CO -0.09 -0.73 0.91 -1.25 -2.47 0.00 0.00 174.74 171.11 3ggg s PRO 148 N 2.48 4.40 -1.32 2.88 0.04 -1.26 -0.38 135.00 141.84 3ggg s PRO 148 Ca 0.11 1.21 -0.13 0.00 0.04 0.00 0.00 61.00 62.23 3ggg s PRO 148 Cb -0.15 -3.53 0.12 0.00 0.04 0.00 0.00 34.50 30.98 3ggg s PRO 148 CO -0.17 -0.24 1.85 -0.89 0.04 0.00 0.00 177.00 177.59 3ggg n ILE 149 N 4.44 4.03 0.00 0.56 2.08 0.78 -4.58 119.36 126.66 3ggg n ILE 149 Ca 0.06 -4.06 0.00 0.00 0.56 0.00 0.00 62.75 59.31 3ggg n ILE 149 Cb 0.49 -2.44 0.00 0.00 -0.75 0.00 0.00 39.64 36.94 3ggg n ILE 149 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3ggg n ALA 150 N 5.61 0.00 -1.50 -1.39 0.00 -1.26 -4.38 120.51 117.59 3ggg n ALA 150 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3ggg n ALA 150 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 3ggg n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ggg n GLY 151 N 2.37 -4.30 0.00 0.00 0.00 -1.26 -5.09 105.19 96.90 3ggg n GLY 151 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3ggg n GLY 151 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3ggg n THR 152 N -1.70 0.00 -1.85 2.61 5.66 -1.26 -5.05 114.28 112.70 3ggg n THR 152 Ca 0.00 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.66 3ggg n THR 152 Cb 0.22 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.04 3ggg n THR 152 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3ggg n GLU 153 N 0.00 2.99 -4.43 1.09 4.71 -1.26 -4.97 120.64 118.78 3ggg n GLU 153 Ca 0.00 -3.73 -0.30 0.00 -0.01 0.00 0.00 57.16 53.12 3ggg n GLU 153 Cb 0.00 -2.27 -0.11 0.00 -1.01 0.00 0.00 31.44 28.04 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 -3.83 2.03 0.13 3.49 -0.14 -1.26 -4.96 119.74 115.19 3ggg s LYS 154 Ca 0.55 -1.04 0.05 0.00 -1.36 0.00 0.00 55.97 54.17 3ggg s LYS 154 Cb 0.45 -2.22 -0.04 0.00 -1.68 0.00 0.00 37.83 34.34 3ggg s LYS 154 CO -0.18 0.52 -0.11 -1.54 -0.76 0.00 0.00 175.35 173.28 3ggg s SER 155 N -1.85 1.75 0.00 2.83 1.04 -1.26 -4.84 113.70 111.37 3ggg s SER 155 Ca 0.17 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.69 3ggg s SER 155 Cb -0.11 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 65.99 3ggg s SER 155 CO 0.09 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.65 3ggg n GLY 156 N 0.18 -0.18 0.48 7.32 0.00 -1.26 -4.55 105.19 107.18 3ggg n GLY 156 Ca -0.13 -1.35 0.30 0.00 0.00 0.00 0.00 46.02 44.84 3ggg n GLY 156 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3ggg h VAL 157 N 0.00 0.48 0.00 1.61 -1.51 -1.72 -1.86 116.25 113.25 3ggg h VAL 157 Ca 0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 3ggg h VAL 157 Cb 0.00 0.34 0.00 0.00 -2.13 0.00 0.00 31.29 29.50 3ggg h VAL 157 CO 0.00 0.02 0.01 -0.33 -1.23 0.00 0.00 177.57 176.04 3ggg h GLU 158 N 0.12 0.00 -0.01 5.19 3.07 -1.89 -1.54 114.58 119.52 3ggg h GLU 158 Ca 0.54 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 3ggg h GLU 158 Cb 1.90 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.81 3ggg h GLU 158 CO -0.09 0.00 -0.43 0.66 -1.40 0.00 0.00 179.01 177.74 3ggg n TYR 159 N -2.74 0.00 -1.69 4.33 4.02 -0.70 -5.00 117.16 115.38 3ggg n TYR 159 Ca -0.02 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.43 3ggg n TYR 159 Cb 0.07 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.37 3ggg n TYR 159 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3ggg n SER 160 N -0.33 3.02 -4.57 7.72 3.41 -0.58 -5.00 113.62 117.28 3ggg n SER 160 Ca 0.06 1.15 -0.33 0.00 -0.26 0.00 0.00 58.87 59.49 3ggg n SER 160 Cb 0.34 -1.48 -0.11 0.00 -0.26 0.00 0.00 64.21 62.70 3ggg n SER 160 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ggg s LEU 161 N -0.22 3.12 -0.01 1.04 1.02 -1.26 -4.85 118.68 117.51 3ggg s LEU 161 Ca 0.65 -0.07 0.08 0.00 0.02 0.00 0.00 54.13 54.81 3ggg s LEU 161 Cb -0.60 -1.70 0.24 0.00 0.02 0.00 0.00 46.19 44.14 3ggg s LEU 161 CO 0.51 0.34 1.16 -0.90 0.02 0.00 0.00 176.35 177.49 3ggg n ASP 162 N 2.07 1.55 -0.57 2.29 5.75 -1.26 -3.48 116.55 122.90 3ggg n ASP 162 Ca -0.17 -2.04 0.01 0.00 -0.01 0.00 0.00 54.79 52.57 3ggg n ASP 162 Cb 0.53 -0.22 0.01 0.00 -1.03 0.00 0.00 41.12 40.40 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 0.26 0.15 -0.25 -1.12 2.04 -1.26 -4.27 115.26 110.81 3ggg n ASN 163 Ca 0.09 -2.03 0.25 0.00 -0.44 0.00 0.00 54.58 52.44 3ggg n ASN 163 Cb 0.26 -0.22 0.61 0.00 -2.53 0.00 0.00 39.78 37.90 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 0.08 0.24 -0.14 -4.53 5.85 -1.89 -2.66 115.31 112.26 3ggg h LEU 164 Ca -0.02 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3ggg h LEU 164 Cb 1.43 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.45 3ggg h LEU 164 CO 0.01 0.07 -0.88 -1.22 -0.34 0.00 0.00 178.44 176.09 3ggg n TYR 165 N -4.42 0.00 -1.68 1.25 4.01 -1.26 -4.85 117.16 110.21 3ggg n TYR 165 Ca 0.21 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.49 3ggg n TYR 165 Cb 0.88 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.85 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 -1.28 2.38 -0.93 -0.72 2.13 -1.01 -1.36 120.64 119.85 3ggg n GLU 166 Ca 0.05 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.74 3ggg n GLU 166 Cb 0.35 -2.75 0.00 0.00 0.27 0.00 0.00 31.44 29.31 3ggg n GLU 166 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ggg n GLY 167 N 4.40 0.58 3.94 8.31 0.00 -0.47 -4.94 105.19 117.02 3ggg n GLY 167 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 3ggg n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ggg s LYS 168 N -0.35 3.48 0.20 1.61 0.00 -0.46 -4.81 119.74 119.40 3ggg s LYS 168 Ca 0.00 -0.51 -0.30 0.00 0.00 0.00 0.00 55.97 55.16 3ggg s LYS 168 Cb 0.00 -2.85 -0.09 0.00 0.00 0.00 0.00 37.83 34.89 3ggg s LYS 168 CO 0.00 0.39 1.32 0.15 0.00 0.00 0.00 175.35 177.21 3ggg s LYS 169 N -3.64 4.38 -0.14 1.78 1.02 -1.26 -0.09 119.74 121.79 3ggg s LYS 169 Ca 0.37 2.08 0.02 0.00 0.02 0.00 0.00 55.97 58.45 3ggg s LYS 169 Cb -0.10 -3.19 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 3ggg s LYS 169 CO 0.30 -0.27 -0.19 0.08 -0.92 0.00 0.00 175.35 174.35 3ggg s VAL 170 N 0.11 2.34 -0.23 3.17 1.01 -0.24 -0.16 120.40 126.41 3ggg s VAL 170 Ca 0.57 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 3ggg s VAL 170 Cb -0.37 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3ggg s VAL 170 CO 0.39 0.54 0.08 -0.63 0.00 0.00 0.00 175.10 175.48 3ggg s ILE 171 N 0.69 4.63 -0.01 2.22 1.09 0.49 -1.84 121.20 128.46 3ggg s ILE 171 Ca -0.09 -0.07 -0.01 0.00 -1.10 0.00 0.00 60.65 59.37 3ggg s ILE 171 Cb -0.16 -3.14 -0.04 0.00 -1.06 0.00 0.00 42.46 38.06 3ggg s ILE 171 CO 0.01 0.37 0.13 -0.76 -0.10 0.00 0.00 174.94 174.59 3ggg s LEU 172 N 1.17 4.12 -0.63 2.97 1.43 -0.29 -0.42 118.68 127.04 3ggg s LEU 172 Ca 0.05 0.24 0.06 0.00 -1.03 0.00 0.00 54.13 53.45 3ggg s LEU 172 Cb -0.14 -2.44 0.23 0.00 0.03 0.00 0.00 46.19 43.87 3ggg s LEU 172 CO 0.04 0.27 0.67 0.35 0.23 0.00 0.00 176.35 177.91 3ggg n THR 173 N 1.06 1.90 -1.78 5.49 -2.24 -0.68 -1.33 114.28 116.70 3ggg n THR 173 Ca -0.12 -5.02 -0.35 0.00 -2.27 0.00 0.00 64.05 56.29 3ggg n THR 173 Cb 0.53 -2.10 0.06 0.00 -2.10 0.00 0.00 70.33 66.72 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 -2.13 2.67 0.35 -0.78 0.04 -1.26 -4.49 135.00 129.40 3ggg s PRO 174 Ca 0.37 1.74 0.01 0.00 0.04 0.00 0.00 61.00 63.16 3ggg s PRO 174 Cb 0.11 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.76 3ggg s PRO 174 CO -0.05 -1.42 0.09 0.25 0.04 0.00 0.00 177.00 175.91 3ggg n THR 175 N -2.08 0.00 0.33 1.26 -2.24 -1.26 -4.65 114.28 105.63 3ggg n THR 175 Ca 0.13 -1.56 0.21 0.00 -2.27 0.00 0.00 64.05 60.56 3ggg n THR 175 Cb 0.50 0.15 1.13 0.00 -2.10 0.00 0.00 70.33 70.02 3ggg n THR 175 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3ggg h LYS 176 N 0.00 0.00 -0.00 -0.78 2.10 -2.05 -2.77 116.57 113.06 3ggg h LYS 176 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 3ggg h LYS 176 Cb 0.85 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.18 3ggg h LYS 176 CO 0.44 0.00 -0.38 1.63 -2.00 0.00 0.00 179.45 179.13 3ggg n LYS 177 N -3.25 0.27 -2.22 0.07 5.02 -1.26 -4.95 118.16 111.84 3ggg n LYS 177 Ca -0.03 -0.15 -0.39 0.00 -2.02 0.00 0.00 58.31 55.72 3ggg n LYS 177 Cb 0.09 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.58 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 -2.83 2.99 -0.22 -0.18 2.01 -1.05 -4.86 115.64 111.50 3ggg s THR 178 Ca 0.16 0.86 -0.28 0.00 0.31 0.00 0.00 61.69 62.74 3ggg s THR 178 Cb 0.18 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 69.20 3ggg s THR 178 CO 0.63 0.11 0.99 -0.62 -0.69 0.00 0.00 174.62 175.04 3ggg s ASP 179 N -0.96 7.07 0.29 3.53 2.15 -1.26 -4.92 116.67 122.57 3ggg s ASP 179 Ca 0.56 1.33 -0.01 0.00 0.43 0.00 0.00 52.55 54.86 3ggg s ASP 179 Cb -0.33 -2.52 0.48 0.00 -0.30 0.00 0.00 42.92 40.25 3ggg s ASP 179 CO 0.43 -0.61 1.92 0.11 -0.17 0.00 0.00 175.17 176.85 3ggg h LYS 180 N 7.44 1.05 -0.11 4.34 1.57 -1.96 0.13 116.57 129.03 3ggg h LYS 180 Ca -0.21 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.35 3ggg h LYS 180 Cb 1.08 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 3ggg h LYS 180 CO 0.94 0.70 -0.60 0.87 -0.57 0.00 0.00 179.45 180.79 3ggg h LYS 181 N 1.08 0.39 -0.18 3.15 1.57 -1.98 -1.52 116.57 119.08 3ggg h LYS 181 Ca 0.37 -0.26 -0.18 0.00 -1.87 0.00 0.00 60.65 58.71 3ggg h LYS 181 Cb 0.10 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 3ggg h LYS 181 CO -0.13 0.87 -0.61 0.00 -0.57 0.00 0.00 179.45 179.01 3ggg h ARG 182 N 0.29 0.63 -0.49 3.15 3.08 -1.79 -1.12 114.38 118.13 3ggg h ARG 182 Ca -0.00 -0.43 0.04 0.00 0.07 0.00 0.00 59.98 59.65 3ggg h ARG 182 Cb 1.13 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.20 3ggg h ARG 182 CO 0.10 1.05 0.26 1.25 -1.07 0.00 0.00 179.97 181.56 3ggg h LEU 183 N 0.47 0.38 -0.52 3.04 5.85 -0.62 0.43 115.31 124.35 3ggg h LEU 183 Ca -0.01 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 3ggg h LEU 183 Cb 1.19 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 3ggg h LEU 183 CO 0.12 0.27 -0.12 0.50 -0.34 0.00 0.00 178.44 178.87 3ggg h LYS 184 N 0.51 0.99 -0.55 1.25 3.64 -1.27 0.52 116.57 121.66 3ggg h LYS 184 Ca 0.21 -0.38 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 3ggg h LYS 184 Cb 0.09 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3ggg h LYS 184 CO -0.13 1.05 0.20 1.25 -2.27 0.00 0.00 179.45 179.55 3ggg h LEU 185 N 0.86 0.78 -0.45 5.20 5.85 -0.88 -2.10 115.31 124.57 3ggg h LEU 185 Ca 0.13 -0.19 -0.15 0.00 0.84 0.00 0.00 57.88 58.51 3ggg h LEU 185 Cb 0.68 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3ggg h LEU 185 CO 0.05 0.76 -0.35 0.58 -0.34 0.00 0.00 178.44 179.14 3ggg h VAL 186 N 0.76 1.27 -0.34 1.05 2.07 -0.66 -0.60 116.25 119.81 3ggg h VAL 186 Ca 0.18 -1.52 0.07 0.00 0.82 0.00 0.00 66.70 66.25 3ggg h VAL 186 Cb 0.24 1.34 -0.07 0.00 -1.52 0.00 0.00 31.29 31.28 3ggg h VAL 186 CO -0.01 0.51 -0.09 0.50 0.02 0.00 0.00 177.57 178.50 3ggg h LYS 187 N 0.76 -0.01 -0.55 1.57 3.64 -0.90 -2.05 116.57 119.03 3ggg h LYS 187 Ca 0.07 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 3ggg h LYS 187 Cb 0.93 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 3ggg h LYS 187 CO 0.09 -0.01 0.11 -0.09 -2.27 0.00 0.00 179.45 177.28 3ggg h ARG 188 N -0.01 0.90 -0.65 1.90 2.43 -0.79 -1.25 114.38 116.90 3ggg h ARG 188 Ca 0.16 -0.23 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3ggg h ARG 188 Cb 0.26 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 3ggg h ARG 188 CO -0.35 0.86 0.42 0.28 -1.51 0.00 0.00 179.97 179.66 3ggg h VAL 189 N 0.79 1.12 -0.57 0.20 2.07 -1.06 0.09 116.25 118.90 3ggg h VAL 189 Ca 0.17 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.33 3ggg h VAL 189 Cb 0.38 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3ggg h VAL 189 CO 0.01 0.15 0.04 -0.50 0.02 0.00 0.00 177.57 177.29 3ggg h TRP 190 N 0.83 1.01 -0.24 1.57 -0.00 -1.12 -2.61 115.95 115.39 3ggg h TRP 190 Ca 0.25 -0.14 -0.11 0.00 -0.00 0.00 0.00 58.89 58.89 3ggg h TRP 190 Cb -0.03 -0.27 -0.01 0.00 -0.00 0.00 0.00 29.16 28.84 3ggg h TRP 190 CO -0.04 0.88 -0.30 0.93 -0.00 0.00 0.00 178.44 179.91 3ggg h GLU 191 N 0.88 0.48 -0.37 0.49 5.08 -0.79 -1.41 114.58 118.94 3ggg h GLU 191 Ca 0.17 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3ggg h GLU 191 Cb 0.46 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3ggg h GLU 191 CO 0.02 0.74 0.24 -0.44 -1.00 0.00 0.00 179.01 178.57 3ggg h ASP 192 N 0.42 0.42 -0.31 1.42 3.32 -0.76 -0.14 116.42 120.79 3ggg h ASP 192 Ca 0.05 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3ggg h ASP 192 Cb 0.74 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.19 3ggg h ASP 192 CO 0.06 0.31 0.00 1.33 -1.72 0.00 0.00 179.24 179.22 3ggg n VAL 193 N -4.48 0.82 0.00 -1.35 0.24 -0.96 -4.75 118.33 107.86 3ggg n VAL 193 Ca 0.02 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 3ggg n VAL 193 Cb 0.06 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 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 0.71 0.89 3.71 7.63 0.00 -0.06 -3.79 105.19 114.27 3ggg n GLY 194 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.05 2.23 -0.32 -0.02 0.00 -0.57 -1.37 107.32 105.22 3ggg s GLY 195 Ca 0.00 0.85 -0.02 0.00 0.00 0.00 0.00 44.72 45.55 3ggg s GLY 195 CO 0.00 1.27 0.04 0.14 0.00 0.00 0.00 173.10 174.54 3ggg s VAL 196 N -2.09 3.09 0.00 1.40 1.01 0.88 -4.23 120.40 120.46 3ggg s VAL 196 Ca 0.73 -1.46 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 3ggg s VAL 196 Cb -0.29 -2.83 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 3ggg s VAL 196 CO 0.49 -0.19 0.53 -0.69 0.00 0.00 0.00 175.10 175.23 3ggg s VAL 197 N 1.25 4.92 0.17 2.92 1.01 -1.26 -1.08 120.40 128.33 3ggg s VAL 197 Ca -0.03 1.11 -0.03 0.00 0.00 0.00 0.00 61.98 63.03 3ggg s VAL 197 Cb -0.20 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 3ggg s VAL 197 CO -0.01 0.48 0.15 -1.83 0.00 0.00 0.00 175.10 173.89 3ggg s GLU 198 N -0.55 1.11 -0.00 2.72 -1.05 -0.77 -4.95 118.70 115.21 3ggg s GLU 198 Ca 0.28 -1.47 0.06 0.00 -0.15 0.00 0.00 54.97 53.70 3ggg s GLU 198 Cb -0.18 0.29 -0.03 0.00 -0.44 0.00 0.00 34.13 33.77 3ggg s GLU 198 CO 0.16 -0.36 -0.19 0.71 0.95 0.00 0.00 175.26 176.53 3ggg s TYR 199 N -4.08 2.54 -0.02 4.83 2.02 -1.26 -1.13 117.35 120.24 3ggg s TYR 199 Ca 0.29 -0.28 -0.06 0.00 -0.37 0.00 0.00 57.07 56.65 3ggg s TYR 199 Cb 0.06 -1.52 0.01 0.00 -0.40 0.00 0.00 41.96 40.10 3ggg s TYR 199 CO 0.06 0.15 0.14 -1.64 -1.57 0.00 0.00 175.55 172.69 3ggg s MET 200 N -0.99 0.34 0.74 -0.62 -1.94 -0.44 -4.95 119.30 111.44 3ggg s MET 200 Ca 0.12 -0.14 -0.15 0.00 -1.71 0.00 0.00 55.69 53.81 3ggg s MET 200 Cb -0.10 0.15 0.04 0.00 2.01 0.00 0.00 34.83 36.92 3ggg s MET 200 CO 0.02 -0.07 1.21 -1.13 -0.01 0.00 0.00 175.02 175.04 3ggg n SER 201 N 2.14 1.37 -0.28 3.03 3.41 -1.26 -3.90 113.62 118.13 3ggg n SER 201 Ca -0.18 0.69 0.08 0.00 -0.26 0.00 0.00 58.87 59.20 3ggg n SER 201 Cb 0.57 -1.52 0.23 0.00 -0.26 0.00 0.00 64.21 63.23 3ggg n SER 201 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3ggg h PRO 202 N -0.27 0.41 -0.44 4.33 0.11 -1.82 0.14 132.00 134.45 3ggg h PRO 202 Ca -0.48 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 3ggg h PRO 202 Cb 1.32 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3ggg h PRO 202 CO 0.49 0.27 -0.07 0.93 -0.21 0.00 0.00 178.00 179.41 3ggg h GLU 203 N 0.42 0.83 -0.47 1.05 3.07 -1.90 -2.09 114.58 115.50 3ggg h GLU 203 Ca 0.47 -0.30 -0.11 0.00 -0.50 0.00 0.00 59.36 58.92 3ggg h GLU 203 Cb 0.79 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.63 3ggg h GLU 203 CO -0.46 0.92 -0.14 1.25 -1.40 0.00 0.00 179.01 179.18 3ggg h LEU 204 N 0.67 0.93 -0.34 1.33 5.85 -1.69 -2.39 115.31 119.66 3ggg h LEU 204 Ca 0.12 -0.37 0.07 0.00 0.84 0.00 0.00 57.88 58.53 3ggg h LEU 204 Cb 0.60 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 3ggg h LEU 204 CO 0.04 1.09 -0.10 -0.74 -0.34 0.00 0.00 178.44 178.39 3ggg h HIS 205 N 0.76 -0.22 -0.08 1.25 2.76 -0.69 0.13 115.15 119.05 3ggg h HIS 205 Ca 0.11 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.25 3ggg h HIS 205 Cb 0.70 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.80 3ggg h HIS 205 CO 0.05 -0.17 -0.24 -0.44 -1.30 0.00 0.00 177.93 175.83 3ggg h ASP 206 N -0.02 0.14 0.03 3.26 5.19 -1.27 -0.06 116.42 123.68 3ggg h ASP 206 Ca 0.17 -0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.54 3ggg h ASP 206 Cb 0.28 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.75 3ggg h ASP 206 CO -0.37 0.39 -0.01 0.22 -3.12 0.00 0.00 179.24 176.35 3ggg h TYR 207 N 0.13 -0.04 -0.11 4.55 3.20 -0.99 0.98 116.97 124.69 3ggg h TYR 207 Ca 0.02 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.90 3ggg h TYR 207 Cb 0.51 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 3ggg h TYR 207 CO 0.00 0.27 0.03 0.28 -1.64 0.00 0.00 178.16 177.11 3ggg h VAL 208 N -0.35 0.96 0.00 1.81 2.07 -0.04 -2.01 116.25 118.70 3ggg h VAL 208 Ca -0.00 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 3ggg h VAL 208 Cb 0.32 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3ggg h VAL 208 CO 0.01 0.02 -0.28 -0.26 0.02 0.00 0.00 177.57 177.07 3ggg h PHE 209 N 0.08 0.00 -0.68 1.57 0.04 -1.13 -0.15 116.94 116.68 3ggg h PHE 209 Ca 0.05 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.92 3ggg h PHE 209 Cb 0.03 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.11 3ggg h PHE 209 CO -0.11 0.12 0.31 0.78 -0.60 0.00 0.00 178.31 178.80 3ggg h GLY 210 N 3.89 1.00 0.30 -1.45 0.00 -0.42 -0.52 103.07 105.88 3ggg h GLY 210 Ca -0.01 -0.18 -0.14 0.00 0.00 0.00 0.00 47.33 47.00 3ggg h GLY 210 CO 0.01 0.02 -0.70 -2.08 0.00 0.00 0.00 176.54 173.79 3ggg h VAL 211 N 0.52 1.43 0.00 4.60 2.07 -0.86 -0.58 116.25 123.43 3ggg h VAL 211 Ca 0.34 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.47 3ggg h VAL 211 Cb 0.40 3.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 3ggg h VAL 211 CO -0.29 0.61 -0.59 1.33 0.02 0.00 0.00 177.57 178.65 3ggg n VAL 212 N -4.31 0.30 0.00 2.57 0.24 -0.12 -4.16 118.33 112.85 3ggg n VAL 212 Ca -0.17 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 3ggg n VAL 212 Cb 0.69 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 3ggg n VAL 212 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3ggg n SER 213 N -2.01 0.28 -0.03 -1.34 2.88 -0.59 -4.74 113.62 108.08 3ggg n SER 213 Ca 0.04 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.42 3ggg n SER 213 Cb 0.42 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.79 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 0.61 -0.39 0.66 3.86 -1.07 -3.02 115.15 115.80 3ggg h HIS 214 Ca 0.00 -0.27 0.01 0.00 -1.16 0.00 0.00 60.37 58.94 3ggg h HIS 214 Cb 0.79 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.15 3ggg h HIS 214 CO 0.00 1.04 0.25 1.25 0.86 0.00 0.00 177.93 181.33 3ggg h LEU 215 N 0.02 0.44 -1.03 2.43 5.85 -1.26 0.11 115.31 121.86 3ggg h LEU 215 Ca -0.03 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3ggg h LEU 215 Cb 1.09 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 3ggg h LEU 215 CO 0.09 0.31 0.42 -0.65 -0.34 0.00 0.00 178.44 178.27 3ggg h PRO 216 N 0.52 1.09 -0.48 5.25 0.11 -1.76 0.35 132.00 137.09 3ggg h PRO 216 Ca 0.14 -0.13 -0.07 0.00 0.11 0.00 0.00 66.00 66.05 3ggg h PRO 216 Cb -0.05 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 30.82 3ggg h PRO 216 CO -0.03 0.81 0.02 0.45 -0.21 0.00 0.00 178.00 179.04 3ggg h HIS 217 N 1.10 0.90 -0.86 0.65 3.86 -1.30 -1.66 115.15 117.84 3ggg h HIS 217 Ca 0.28 -0.15 0.11 0.00 -1.16 0.00 0.00 60.37 59.45 3ggg h HIS 217 Cb 0.05 -0.24 -0.08 0.00 1.06 0.00 0.00 27.41 28.20 3ggg h HIS 217 CO 0.01 0.85 0.49 0.00 0.86 0.00 0.00 177.93 180.14 3ggg h ALA 218 N 0.93 1.26 0.14 2.45 0.00 0.16 0.80 119.26 125.01 3ggg h ALA 218 Ca 0.14 0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.81 3ggg h ALA 218 Cb 0.48 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.17 3ggg h ALA 218 CO 0.02 0.06 -1.26 0.28 0.00 0.00 0.00 179.25 178.35 3ggg h VAL 219 N 0.77 1.44 -0.40 0.00 2.07 -0.83 -1.42 116.25 117.87 3ggg h VAL 219 Ca 0.43 -2.90 0.02 0.00 0.82 0.00 0.00 66.70 65.07 3ggg h VAL 219 Cb 0.47 2.90 -0.03 0.00 -1.52 0.00 0.00 31.29 33.11 3ggg h VAL 219 CO -0.28 0.85 0.23 0.00 0.02 0.00 0.00 177.57 178.39 3ggg h ALA 220 N 0.50 0.51 -0.46 1.67 0.00 -0.79 -0.59 119.26 120.10 3ggg h ALA 220 Ca -0.16 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.84 3ggg h ALA 220 Cb 1.97 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 19.55 3ggg h ALA 220 CO 0.22 -0.10 -0.17 0.74 0.00 0.00 0.00 179.25 179.93 3ggg h PHE 221 N 0.48 -0.42 -0.17 0.00 0.04 -0.66 -1.95 116.94 114.25 3ggg h PHE 221 Ca 0.16 0.05 -0.13 0.00 2.80 0.00 0.00 57.97 60.85 3ggg h PHE 221 Cb 0.01 0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 3ggg h PHE 221 CO -0.07 -0.26 -0.43 0.00 -0.60 0.00 0.00 178.31 176.95 3ggg h ALA 222 N 1.30 0.94 -0.29 2.45 0.00 -1.06 -2.36 119.26 120.25 3ggg h ALA 222 Ca 0.22 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.71 3ggg h ALA 222 Cb 0.41 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3ggg h ALA 222 CO -0.51 0.63 0.14 -0.07 0.00 0.00 0.00 179.25 179.44 3ggg h LEU 223 N 0.34 0.20 -0.78 0.00 3.38 -0.71 0.14 115.31 117.87 3ggg h LEU 223 Ca 0.03 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.06 3ggg h LEU 223 Cb 0.90 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 3ggg h LEU 223 CO 0.08 0.16 0.48 0.58 0.09 0.00 0.00 178.44 179.83 3ggg h VAL 224 N 0.29 1.06 -0.08 1.22 2.07 -1.19 -0.98 116.25 118.64 3ggg h VAL 224 Ca 0.12 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 3ggg h VAL 224 Cb 0.04 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 3ggg h VAL 224 CO -0.08 0.17 -0.13 -0.78 0.02 0.00 0.00 177.57 176.77 3ggg h ASP 225 N 0.91 0.11 -0.04 0.57 3.58 -1.01 -2.52 116.42 118.03 3ggg h ASP 225 Ca 0.33 -0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.66 3ggg h ASP 225 Cb 0.10 -0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.13 3ggg h ASP 225 CO -0.15 0.25 -0.39 0.74 -2.88 0.00 0.00 179.24 176.82 3ggg h THR 226 N 0.11 1.45 0.00 2.25 2.02 0.26 -2.51 112.91 116.49 3ggg h THR 226 Ca 0.02 -1.87 -0.02 0.00 0.77 0.00 0.00 66.41 65.31 3ggg h THR 226 Cb 0.30 2.48 -0.00 0.00 -1.74 0.00 0.00 68.15 69.19 3ggg h THR 226 CO 0.02 0.54 -0.10 -0.07 0.37 0.00 0.00 175.52 176.28 3ggg h LEU 227 N -0.19 0.00 -0.04 2.58 4.07 -1.08 -1.53 115.31 119.12 3ggg h LEU 227 Ca -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 3ggg h LEU 227 Cb 1.08 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.82 3ggg h LEU 227 CO 0.08 0.10 -0.03 0.40 -1.08 0.00 0.00 178.44 177.91 3ggg h ILE 228 N 0.00 1.35 -0.00 1.22 2.04 -1.36 -2.57 117.51 118.19 3ggg h ILE 228 Ca -0.00 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.78 3ggg h ILE 228 Cb 0.18 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 3ggg h ILE 228 CO 0.01 0.29 -0.24 0.00 0.00 0.00 0.00 178.15 178.21 3ggg n HIS 229 N -4.80 0.00 0.86 1.37 1.44 -0.95 -3.27 115.22 109.86 3ggg n HIS 229 Ca -0.08 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.73 3ggg n HIS 229 Cb 0.26 -0.33 -0.01 0.00 0.12 0.00 0.00 29.99 30.02 3ggg n HIS 229 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3ggg n MET 230 N -1.39 1.40 -1.98 -1.40 2.81 -0.61 -4.90 117.12 111.05 3ggg n MET 230 Ca 0.08 -0.81 -0.34 0.00 -1.81 0.00 0.00 57.70 54.82 3ggg n MET 230 Cb 0.33 -1.37 0.03 0.00 -0.71 0.00 0.00 33.22 31.49 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 -2.25 5.42 0.38 7.83 0.01 -0.97 -4.95 113.70 119.17 3ggg s SER 231 Ca 0.15 2.04 0.05 0.00 1.31 0.00 0.00 55.95 59.49 3ggg s SER 231 Cb 0.15 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.76 3ggg s SER 231 CO 0.52 -1.42 0.04 0.42 0.41 0.00 0.00 173.24 173.21 3ggg s THR 232 N -2.16 1.41 0.62 1.44 -4.23 -0.73 -4.99 115.64 107.01 3ggg s THR 232 Ca 0.68 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.53 3ggg s THR 232 Cb -0.21 -2.75 0.37 0.00 1.34 0.00 0.00 72.50 71.25 3ggg s THR 232 CO 0.36 0.00 2.19 -0.65 -0.54 0.00 0.00 174.62 175.98 3ggg h PRO 233 N 1.88 0.00 -0.00 3.99 0.11 -2.00 0.21 132.00 136.18 3ggg h PRO 233 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3ggg h PRO 233 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3ggg h PRO 233 CO 0.73 0.00 -0.80 0.39 -0.21 0.00 0.00 178.00 178.11 3ggg n GLU 234 N -3.54 0.28 -3.60 1.05 1.02 -1.26 -4.88 120.64 109.71 3ggg n GLU 234 Ca -0.01 -0.23 -0.26 0.00 -0.02 0.00 0.00 57.16 56.65 3ggg n GLU 234 Cb 0.20 -1.50 -0.17 0.00 -0.02 0.00 0.00 31.44 29.96 3ggg n GLU 234 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3ggg s VAL 235 N -2.87 -0.10 -0.50 2.62 1.01 0.73 -5.09 120.40 116.20 3ggg s VAL 235 Ca 0.11 -0.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.68 3ggg s VAL 235 Cb 0.17 -0.61 0.05 0.00 0.00 0.00 0.00 36.38 35.98 3ggg s VAL 235 CO 0.77 -0.32 0.67 -0.62 0.00 0.00 0.00 175.10 175.61 3ggg s ASP 236 N 2.15 6.26 0.51 3.32 3.68 -1.26 -1.77 116.67 129.56 3ggg s ASP 236 Ca 0.03 -0.71 0.25 0.00 2.13 0.00 0.00 52.55 54.25 3ggg s ASP 236 Cb -0.16 -2.31 1.38 0.00 -1.45 0.00 0.00 42.92 40.37 3ggg s ASP 236 CO -0.12 -0.91 2.06 -0.07 0.13 0.00 0.00 175.17 176.26 3ggg h LEU 237 N 9.87 0.00 -1.98 -1.34 3.38 -1.92 -2.75 115.31 120.56 3ggg h LEU 237 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3ggg h LEU 237 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3ggg h LEU 237 CO 0.96 0.13 0.00 -0.26 0.09 0.00 0.00 178.44 179.36 3ggg h PHE 238 N 0.00 0.00 0.00 1.13 0.04 -1.91 -1.87 116.94 114.33 3ggg h PHE 238 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3ggg h PHE 238 Cb 0.33 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.48 3ggg h PHE 238 CO 0.00 0.00 0.00 1.63 -0.60 0.00 0.00 178.31 179.34 3ggg n LYS 239 N -2.72 0.03 -3.11 1.51 5.02 -1.04 -4.18 118.16 113.67 3ggg n LYS 239 Ca -0.01 0.31 -0.26 0.00 -2.02 0.00 0.00 58.31 56.33 3ggg n LYS 239 Cb 0.12 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.57 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 -1.44 3.37 1.30 2.13 4.02 -0.71 -4.90 117.16 120.93 3ggg n TYR 240 Ca 0.03 -4.01 0.14 0.00 -0.01 0.00 0.00 57.90 54.05 3ggg n TYR 240 Cb 0.09 -0.50 0.57 0.00 -0.02 0.00 0.00 39.34 39.49 3ggg n TYR 240 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3ggg n PRO 241 N 0.19 0.50 -0.01 -0.72 -0.04 -1.26 -4.05 135.00 129.60 3ggg n PRO 241 Ca 0.30 -0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.71 3ggg n PRO 241 Cb 0.43 -1.50 0.64 0.00 -0.04 0.00 0.00 33.50 33.03 3ggg n PRO 241 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ggg n GLY 242 N 1.34 -0.74 1.85 0.55 0.00 -1.26 -0.96 105.19 105.96 3ggg n GLY 242 Ca 0.12 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 0.93 3.26 0.00 -0.02 0.00 -1.26 -4.86 105.19 103.24 3ggg n GLY 243 Ca 0.18 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.34 1.77 0.09 -0.02 0.00 -1.24 -4.98 105.19 101.15 3ggg n GLY 244 Ca 0.31 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 -0.91 1.61 3.57 -1.84 -3.38 116.94 115.99 3ggg h PHE 245 Ca 0.00 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.66 3ggg h PHE 245 Cb 0.00 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 38.58 3ggg h PHE 245 CO 0.00 0.82 -0.29 1.17 -2.23 0.00 0.00 178.31 177.78 3ggg n LYS 246 N -3.19 -0.15 -0.01 1.11 4.81 -0.14 -0.97 118.16 119.62 3ggg n LYS 246 Ca -0.05 1.41 -0.04 0.00 -0.87 0.00 0.00 58.31 58.77 3ggg n LYS 246 Cb 0.90 -2.10 0.20 0.00 0.02 0.00 0.00 35.03 34.05 3ggg n LYS 246 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 3ggg h ASP 247 N 0.00 0.55 0.09 3.14 3.45 -1.88 -1.65 116.42 120.12 3ggg h ASP 247 Ca 0.37 -0.17 -0.00 0.00 0.43 0.00 0.00 57.03 57.66 3ggg h ASP 247 Cb 0.60 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 39.22 3ggg h ASP 247 CO -0.92 0.75 -0.01 -0.26 -1.57 0.00 0.00 179.24 177.23 3ggg h PHE 248 N 0.51 0.00 0.00 4.55 0.04 -1.30 -2.92 116.94 117.82 3ggg h PHE 248 Ca 0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.85 3ggg h PHE 248 Cb 0.60 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.75 3ggg h PHE 248 CO 0.02 0.01 0.00 1.79 -0.60 0.00 0.00 178.31 179.53 3ggg h THR 249 N 0.00 0.00 -1.49 -1.55 1.35 -1.14 -2.35 112.91 107.72 3ggg h THR 249 Ca -0.00 -0.46 0.44 0.00 -0.55 0.00 0.00 66.41 65.84 3ggg h THR 249 Cb 0.06 1.38 -0.08 0.00 -1.73 0.00 0.00 68.15 67.77 3ggg h THR 249 CO 0.00 0.00 1.04 -0.09 -0.25 0.00 0.00 175.52 176.22 3ggg h ARG 250 N 0.00 0.05 -0.06 4.72 2.43 -1.65 0.94 114.38 120.81 3ggg h ARG 250 Ca 0.00 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3ggg h ARG 250 Cb 0.52 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3ggg h ARG 250 CO 0.00 0.03 0.22 0.97 -1.51 0.00 0.00 179.97 179.69 3ggg h ILE 251 N 0.05 0.11 0.00 1.20 6.09 -1.67 0.17 117.51 123.47 3ggg h ILE 251 Ca 0.77 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 64.26 3ggg h ILE 251 Cb 2.83 0.79 -0.00 0.00 0.47 0.00 0.00 36.82 40.91 3ggg h ILE 251 CO -0.14 0.00 -0.01 0.00 -3.07 0.00 0.00 178.15 174.93 3ggg h ALA 252 N 1.61 1.44 0.00 0.18 0.00 -1.05 -1.73 119.26 119.71 3ggg h ALA 252 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ggg h ALA 252 Cb 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3ggg h ALA 252 CO -0.00 0.02 -0.20 1.63 0.00 0.00 0.00 179.25 180.69 3ggg n LYS 253 N -3.74 0.14 -1.47 0.00 5.02 0.05 -4.92 118.16 113.24 3ggg n LYS 253 Ca -0.03 0.09 -0.32 0.00 -2.02 0.00 0.00 58.31 56.03 3ggg n LYS 253 Cb 0.10 -1.63 0.07 0.00 -0.02 0.00 0.00 35.03 33.55 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 -3.73 4.70 -0.38 4.39 0.01 -0.65 -4.88 113.70 113.16 3ggg s SER 254 Ca 0.11 1.94 -0.14 0.00 1.31 0.00 0.00 55.95 59.17 3ggg s SER 254 Cb 0.16 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.85 3ggg s SER 254 CO 0.62 -1.90 0.27 -0.62 0.41 0.00 0.00 173.24 172.01 3ggg s ASP 255 N -2.93 6.08 0.32 2.44 2.15 -1.26 -4.98 116.67 118.48 3ggg s ASP 255 Ca 0.65 -0.69 0.00 0.00 0.43 0.00 0.00 52.55 52.94 3ggg s ASP 255 Cb -0.19 -2.15 0.54 0.00 -0.30 0.00 0.00 42.92 40.81 3ggg s ASP 255 CO 0.49 -0.36 1.96 -0.65 -0.17 0.00 0.00 175.17 176.45 3ggg h PRO 256 N 8.57 0.98 -0.05 4.34 0.11 -1.96 -1.96 132.00 142.02 3ggg h PRO 256 Ca -0.29 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 3ggg h PRO 256 Cb 1.14 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 3ggg h PRO 256 CO 0.69 0.65 -0.01 0.82 -0.21 0.00 0.00 178.00 179.93 3ggg h ILE 257 N 1.01 1.30 -0.29 4.15 2.04 -1.99 0.20 117.51 123.94 3ggg h ILE 257 Ca 0.31 -0.94 0.05 0.00 1.00 0.00 0.00 64.86 65.28 3ggg h ILE 257 Cb -0.01 1.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 3ggg h ILE 257 CO -0.08 0.26 -0.00 -0.03 0.00 0.00 0.00 178.15 178.29 3ggg h MET 258 N -0.26 0.08 -0.82 2.37 4.05 -1.93 -0.90 114.93 117.52 3ggg h MET 258 Ca 0.01 -0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.44 3ggg h MET 258 Cb 0.42 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.16 3ggg h MET 258 CO 0.01 0.05 0.54 -1.49 0.23 0.00 0.00 176.91 176.25 3ggg h TRP 259 N 0.08 1.02 -0.38 1.39 4.06 -1.37 0.68 115.95 121.43 3ggg h TRP 259 Ca 0.14 0.02 0.08 0.00 2.06 0.00 0.00 58.89 61.19 3ggg h TRP 259 Cb 0.18 -0.35 -0.08 0.00 -1.00 0.00 0.00 29.16 27.92 3ggg h TRP 259 CO -0.22 0.64 -0.11 -0.09 -3.56 0.00 0.00 178.44 175.10 3ggg h ARG 260 N 1.10 -0.02 -0.47 0.49 1.12 -0.59 0.11 114.38 116.11 3ggg h ARG 260 Ca 0.30 0.00 -0.11 0.00 -1.11 0.00 0.00 59.98 59.07 3ggg h ARG 260 Cb -0.12 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 29.83 3ggg h ARG 260 CO -0.07 -0.02 -0.12 -0.44 -3.11 0.00 0.00 179.97 176.21 3ggg h ASP 261 N -0.03 0.92 -0.11 -3.80 3.32 -0.36 -2.11 116.42 114.26 3ggg h ASP 261 Ca 0.19 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 3ggg h ASP 261 Cb 0.31 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 3ggg h ASP 261 CO -0.41 1.08 0.03 0.40 -1.72 0.00 0.00 179.24 178.61 3ggg h ILE 262 N 0.76 1.19 -0.70 0.35 2.04 -0.47 -1.56 117.51 119.13 3ggg h ILE 262 Ca 0.12 -0.60 0.15 0.00 1.00 0.00 0.00 64.86 65.53 3ggg h ILE 262 Cb 0.68 1.39 -0.11 0.00 -0.74 0.00 0.00 36.82 38.04 3ggg h ILE 262 CO 0.05 0.18 0.09 -0.26 0.00 0.00 0.00 178.15 178.20 3ggg h PHE 263 N -0.03 0.11 -0.18 1.37 0.04 -0.73 -0.24 116.94 117.28 3ggg h PHE 263 Ca 0.03 0.05 -0.11 0.00 2.80 0.00 0.00 57.97 60.74 3ggg h PHE 263 Cb 0.25 0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.46 3ggg h PHE 263 CO 0.01 -0.14 -0.32 -0.07 -0.60 0.00 0.00 178.31 177.19 3ggg h LEU 264 N 0.19 0.59 -0.84 1.54 3.38 -1.29 -1.55 115.31 117.33 3ggg h LEU 264 Ca 0.38 -0.54 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 3ggg h LEU 264 Cb 0.65 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3ggg h LEU 264 CO -0.54 1.02 -0.46 -0.08 0.09 0.00 0.00 178.44 178.46 3ggg h GLU 265 N 0.19 0.27 -0.68 1.13 4.57 -1.12 -3.03 114.58 115.91 3ggg h GLU 265 Ca 0.01 -0.14 -0.33 0.00 -1.18 0.00 0.00 59.36 57.72 3ggg h GLU 265 Cb 0.91 0.01 -0.20 0.00 -0.16 0.00 0.00 28.75 29.31 3ggg h GLU 265 CO 0.07 0.68 0.29 -1.71 -1.18 0.00 0.00 179.01 177.17 3ggg n ASN 266 N -3.98 3.38 -0.33 1.04 5.15 -0.11 -4.82 115.26 115.57 3ggg n ASN 266 Ca -0.02 -3.61 0.18 0.00 -0.60 0.00 0.00 54.58 50.54 3ggg n ASN 266 Cb 0.52 -0.74 0.42 0.00 -0.53 0.00 0.00 39.78 39.45 3ggg n ASN 266 CO 0.00 0.00 0.00 0.07 1.40 0.00 0.00 177.26 178.73 3ggg h LYS 267 N 1.23 0.54 0.05 1.20 2.10 -1.15 0.08 116.57 120.61 3ggg h LYS 267 Ca 0.40 -0.03 -0.25 0.00 -2.00 0.00 0.00 60.65 58.77 3ggg h LYS 267 Cb 2.27 -0.12 0.02 0.00 -0.90 0.00 0.00 32.23 33.50 3ggg h LYS 267 CO 0.74 0.36 -1.00 1.49 -2.00 0.00 0.00 179.45 179.04 3ggg h GLU 268 N 0.55 0.59 -0.24 0.07 4.81 -1.87 0.44 114.58 118.94 3ggg h GLU 268 Ca 0.60 -0.70 -0.15 0.00 -0.13 0.00 0.00 59.36 58.98 3ggg h GLU 268 Cb 1.24 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.82 3ggg h GLU 268 CO -0.37 1.29 -0.47 -0.91 -0.73 0.00 0.00 179.01 177.82 3ggg h ASN 269 N 0.20 0.68 -0.67 1.04 2.35 -1.76 -1.98 115.58 115.44 3ggg h ASN 269 Ca -0.14 -0.33 -0.03 0.00 -0.55 0.00 0.00 56.30 55.26 3ggg h ASN 269 Cb 1.68 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.83 3ggg h ASN 269 CO 0.19 1.04 0.32 0.58 -1.65 0.00 0.00 177.43 177.91 3ggg h VAL 270 N 0.50 1.23 -0.28 2.81 2.07 -0.89 0.16 116.25 121.85 3ggg h VAL 270 Ca 0.03 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 3ggg h VAL 270 Cb 1.01 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3ggg h VAL 270 CO 0.09 0.26 0.05 0.24 0.02 0.00 0.00 177.57 178.24 3ggg h MET 271 N 0.93 0.47 -0.96 1.57 2.86 -0.78 -0.96 114.93 118.05 3ggg h MET 271 Ca 0.23 -0.12 0.12 0.00 -2.06 0.00 0.00 59.70 57.86 3ggg h MET 271 Cb 0.12 -0.06 -0.08 0.00 0.06 0.00 0.00 31.60 31.65 3ggg h MET 271 CO -0.03 0.58 0.61 0.87 1.06 0.00 0.00 176.91 180.00 3ggg h LYS 272 N 0.29 0.91 -0.29 1.72 1.57 -1.25 0.11 116.57 119.62 3ggg h LYS 272 Ca 0.09 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 3ggg h LYS 272 Cb 0.33 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 3ggg h LYS 272 CO 0.01 0.60 -0.28 0.00 -0.57 0.00 0.00 179.45 179.21 3ggg h ALA 273 N 1.55 0.43 -0.79 3.86 0.00 -0.54 -1.91 119.26 121.86 3ggg h ALA 273 Ca 0.47 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3ggg h ALA 273 Cb 0.50 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3ggg h ALA 273 CO -0.23 0.43 0.37 0.82 0.00 0.00 0.00 179.25 180.64 3ggg h ILE 274 N 0.45 1.25 -0.41 0.00 2.04 -0.88 -0.14 117.51 119.81 3ggg h ILE 274 Ca 0.05 -0.72 0.05 0.00 1.00 0.00 0.00 64.86 65.24 3ggg h ILE 274 Cb 0.84 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 3ggg h ILE 274 CO 0.07 0.30 0.15 -0.33 0.00 0.00 0.00 178.15 178.34 3ggg h GLU 275 N 1.12 0.30 -0.28 2.37 5.08 -0.72 0.61 114.58 123.06 3ggg h GLU 275 Ca 0.27 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.46 3ggg h GLU 275 Cb 0.14 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3ggg h GLU 275 CO -0.03 0.20 -0.42 0.78 -1.00 0.00 0.00 179.01 178.53 3ggg h GLY 276 N 0.31 0.75 0.45 -3.84 0.00 -0.86 -0.91 103.07 98.97 3ggg h GLY 276 Ca 0.19 -0.77 0.05 0.00 0.00 0.00 0.00 47.33 46.80 3ggg h GLY 276 CO -0.19 0.70 -0.10 -2.75 0.00 0.00 0.00 176.54 174.19 3ggg h PHE 277 N 0.56 -0.25 -0.62 5.60 3.57 -0.64 -1.34 116.94 123.82 3ggg h PHE 277 Ca 0.04 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.62 3ggg h PHE 277 Cb 0.96 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.81 3ggg h PHE 277 CO 0.05 -0.16 0.41 0.93 -2.23 0.00 0.00 178.31 177.31 3ggg h GLU 278 N -0.08 0.62 -0.47 1.11 5.08 0.64 0.47 114.58 121.94 3ggg h GLU 278 Ca 0.12 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3ggg h GLU 278 Cb 0.25 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3ggg h GLU 278 CO -0.27 0.41 0.17 -0.22 -1.00 0.00 0.00 179.01 178.10 3ggg h LYS 279 N 0.64 0.72 -0.62 2.33 3.64 -0.73 -0.29 116.57 122.26 3ggg h LYS 279 Ca 0.26 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 3ggg h LYS 279 Cb 0.23 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 3ggg h LYS 279 CO -0.08 0.67 0.08 0.77 -2.27 0.00 0.00 179.45 178.61 3ggg h SER 280 N 0.63 1.01 -0.21 4.20 0.02 -0.41 -0.23 113.55 118.56 3ggg h SER 280 Ca 0.16 -0.27 -0.20 0.00 -0.84 0.00 0.00 61.79 60.63 3ggg h SER 280 Cb 0.23 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.50 3ggg h SER 280 CO -0.01 1.03 -0.66 0.25 -1.14 0.00 0.00 176.83 176.30 3ggg h LEU 281 N 0.96 0.94 -0.75 5.07 5.85 -0.86 -2.31 115.31 124.21 3ggg h LEU 281 Ca 0.19 -0.59 0.05 0.00 0.84 0.00 0.00 57.88 58.36 3ggg h LEU 281 Cb 0.47 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 3ggg h LEU 281 CO 0.02 1.37 0.46 0.78 -0.34 0.00 0.00 178.44 180.72 3ggg h ASN 282 N 0.56 0.73 -0.72 1.25 -0.26 -0.93 0.38 115.58 116.59 3ggg h ASN 282 Ca -0.02 0.01 0.05 0.00 -0.56 0.00 0.00 56.30 55.77 3ggg h ASN 282 Cb 1.29 -0.14 -0.05 0.00 -1.06 0.00 0.00 38.32 38.35 3ggg h ASN 282 CO 0.14 0.49 0.43 -0.74 -1.06 0.00 0.00 177.43 176.69 3ggg h HIS 283 N 0.87 0.80 -0.36 1.19 2.76 -0.87 -1.69 115.15 117.85 3ggg h HIS 283 Ca 0.32 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.44 3ggg h HIS 283 Cb 0.10 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.79 3ggg h HIS 283 CO -0.05 0.42 -0.05 1.25 -1.30 0.00 0.00 177.93 178.20 3ggg h LEU 284 N 0.82 0.67 -0.74 0.26 5.85 -0.83 -1.92 115.31 119.42 3ggg h LEU 284 Ca 0.31 -0.34 0.09 0.00 0.84 0.00 0.00 57.88 58.77 3ggg h LEU 284 Cb 0.12 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 40.90 3ggg h LEU 284 CO -0.15 0.86 0.39 0.11 -0.34 0.00 0.00 178.44 179.30 3ggg h LYS 285 N 0.47 0.65 -0.69 1.25 1.57 -0.75 -0.77 116.57 118.29 3ggg h LYS 285 Ca 0.10 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3ggg h LYS 285 Cb 0.54 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 3ggg h LYS 285 CO 0.03 0.43 0.31 0.93 -0.57 0.00 0.00 179.45 180.58 3ggg h GLU 286 N 0.66 1.01 -0.18 3.15 4.39 -0.75 0.85 114.58 123.72 3ggg h GLU 286 Ca 0.36 -0.16 -0.11 0.00 0.34 0.00 0.00 59.36 59.78 3ggg h GLU 286 Cb 0.34 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3ggg h GLU 286 CO -0.25 0.82 -0.37 -0.07 -1.16 0.00 0.00 179.01 177.98 3ggg h LEU 287 N 0.97 0.39 0.25 1.33 3.38 -0.92 -0.97 115.31 119.74 3ggg h LEU 287 Ca 0.24 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3ggg h LEU 287 Cb 0.15 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3ggg h LEU 287 CO -0.03 0.73 -0.12 0.40 0.09 0.00 0.00 178.44 179.52 3ggg h ILE 288 N 0.32 0.77 -0.86 1.22 2.04 -0.19 -0.56 117.51 120.26 3ggg h ILE 288 Ca 0.03 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 3ggg h ILE 288 Cb 0.79 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 38.00 3ggg h ILE 288 CO 0.06 0.15 0.46 0.58 0.00 0.00 0.00 178.15 179.41 3ggg h VAL 289 N -0.76 1.25 0.00 1.67 2.07 -0.80 -2.34 116.25 117.35 3ggg h VAL 289 Ca -0.03 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.85 3ggg h VAL 289 Cb 0.50 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3ggg h VAL 289 CO 0.06 0.28 0.00 0.54 0.02 0.00 0.00 177.57 178.47 3ggg n ARG 290 N -4.33 0.69 -3.85 1.57 1.74 -0.38 -4.90 116.66 107.20 3ggg n ARG 290 Ca 0.09 0.01 -0.25 0.00 -0.77 0.00 0.00 57.85 56.93 3ggg n ARG 290 Cb 0.10 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.05 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 -1.14 -4.37 -2.58 5.56 1.02 -0.88 -4.85 120.64 113.39 3ggg n GLU 291 Ca 0.18 0.53 -0.42 0.00 -0.02 0.00 0.00 57.16 57.44 3ggg n GLU 291 Cb 0.17 -5.01 -0.02 0.00 -0.02 0.00 0.00 31.44 26.56 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 -3.69 2.95 0.09 0.62 0.00 -0.26 -4.84 121.76 116.62 3ggg s ALA 292 Ca 0.14 -2.51 -0.27 0.00 0.00 0.00 0.00 51.96 49.33 3ggg s ALA 292 Cb -0.07 -4.55 -0.14 0.00 0.00 0.00 0.00 23.12 18.36 3ggg s ALA 292 CO 0.85 -3.48 1.68 0.93 0.00 0.00 0.00 175.76 175.73 3ggg h GLU 293 N 9.01 -0.41 -0.20 0.00 5.08 -1.88 -0.69 114.58 125.48 3ggg h GLU 293 Ca 0.28 0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.56 3ggg h GLU 293 Cb 0.96 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 3ggg h GLU 293 CO 1.43 -0.27 -0.30 0.93 -1.00 0.00 0.00 179.01 179.80 3ggg h GLU 294 N -0.42 0.55 -0.89 2.33 3.07 -2.00 -2.90 114.58 114.32 3ggg h GLU 294 Ca -0.02 -0.33 0.07 0.00 -0.50 0.00 0.00 59.36 58.58 3ggg h GLU 294 Cb 0.36 0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 28.24 3ggg h GLU 294 CO 0.01 0.93 0.58 0.93 -1.40 0.00 0.00 179.01 180.06 3ggg h GLU 295 N 0.22 0.96 -0.19 2.33 5.08 -1.94 -1.89 114.58 119.15 3ggg h GLU 295 Ca 0.02 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 3ggg h GLU 295 Cb 0.88 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 3ggg h GLU 295 CO 0.07 0.63 -0.20 1.25 -1.00 0.00 0.00 179.01 179.76 3ggg h LEU 296 N 0.98 0.51 -0.35 1.33 5.85 -1.09 0.59 115.31 123.13 3ggg h LEU 296 Ca 0.39 -0.48 0.07 0.00 0.84 0.00 0.00 57.88 58.71 3ggg h LEU 296 Cb 0.25 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 3ggg h LEU 296 CO -0.15 0.88 -0.11 0.58 -0.34 0.00 0.00 178.44 179.30 3ggg h VAL 297 N 0.14 0.60 -0.48 1.05 2.07 -1.29 -1.11 116.25 117.23 3ggg h VAL 297 Ca 0.03 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 3ggg h VAL 297 Cb 0.74 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3ggg h VAL 297 CO 0.05 0.00 0.04 -0.33 0.02 0.00 0.00 177.57 177.35 3ggg h GLU 298 N -0.03 0.83 -0.63 1.57 4.39 -1.14 0.34 114.58 119.92 3ggg h GLU 298 Ca 0.17 -0.24 0.11 0.00 0.34 0.00 0.00 59.36 59.74 3ggg h GLU 298 Cb 0.29 -0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 28.77 3ggg h GLU 298 CO -0.38 0.85 0.20 -0.92 -1.16 0.00 0.00 179.01 177.60 3ggg h TYR 299 N 0.69 0.33 0.04 4.33 3.20 -0.63 0.83 116.97 125.76 3ggg h TYR 299 Ca 0.14 0.03 -0.25 0.00 3.14 0.00 0.00 58.73 61.79 3ggg h TYR 299 Cb 0.45 -0.05 0.01 0.00 1.54 0.00 0.00 36.73 38.68 3ggg h TYR 299 CO 0.03 0.04 -1.05 -0.07 -1.64 0.00 0.00 178.16 175.47 3ggg h LEU 300 N 0.35 0.66 -0.09 2.82 3.38 -0.42 -2.56 115.31 119.45 3ggg h LEU 300 Ca 0.33 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3ggg h LEU 300 Cb 0.46 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3ggg h LEU 300 CO -0.36 1.37 0.05 0.50 0.09 0.00 0.00 178.44 180.09 3ggg h LYS 301 N 0.25 0.12 -0.62 1.13 3.64 -0.10 0.71 116.57 121.71 3ggg h LYS 301 Ca -0.12 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 3ggg h LYS 301 Cb 1.71 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.48 3ggg h LYS 301 CO 0.19 0.14 0.35 1.49 -2.27 0.00 0.00 179.45 179.35 3ggg h GLU 302 N 0.06 0.86 -0.47 1.90 4.81 -0.84 -1.33 114.58 119.58 3ggg h GLU 302 Ca 0.03 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 3ggg h GLU 302 Cb 0.06 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 3ggg h GLU 302 CO -0.01 0.64 0.00 -0.39 -0.73 0.00 0.00 179.01 178.53 3ggg h VAL 303 N 0.84 1.24 -0.24 0.32 -1.51 -1.24 -2.61 116.25 113.05 3ggg h VAL 303 Ca 0.22 -0.98 0.06 0.00 -1.23 0.00 0.00 66.70 64.77 3ggg h VAL 303 Cb 0.02 0.88 -0.07 0.00 -2.13 0.00 0.00 31.29 29.99 3ggg h VAL 303 CO -0.04 0.35 -0.26 0.50 -1.23 0.00 0.00 177.57 176.89 3ggg h LYS 304 N 0.72 -0.26 -0.38 5.19 3.64 -0.12 -1.58 116.57 123.78 3ggg h LYS 304 Ca 0.14 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 3ggg h LYS 304 Cb 0.44 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 3ggg h LYS 304 CO 0.02 -0.18 0.24 0.82 -2.27 0.00 0.00 179.45 178.08 3ggg h ILE 305 N -0.27 1.08 -0.13 2.00 2.04 -1.17 -0.20 117.51 120.85 3ggg h ILE 305 Ca 0.13 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 3ggg h ILE 305 Cb 0.48 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3ggg h ILE 305 CO -0.40 0.09 -0.27 0.11 0.00 0.00 0.00 178.15 177.68 3ggg h LYS 306 N 0.49 0.25 0.16 2.37 1.57 -1.31 -2.16 116.57 117.95 3ggg h LYS 306 Ca 0.14 -0.08 -0.30 0.00 -1.87 0.00 0.00 60.65 58.54 3ggg h LYS 306 Cb -0.04 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 32.28 3ggg h LYS 306 CO -0.04 0.50 -1.31 -0.09 -0.57 0.00 0.00 179.45 177.94 3ggg h ARG 307 N 0.22 0.46 -0.12 3.15 9.65 -0.98 -3.13 114.38 123.63 3ggg h ARG 307 Ca 0.03 -0.71 -0.05 0.00 -1.10 0.00 0.00 59.98 58.15 3ggg h ARG 307 Cb 0.60 0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 29.42 3ggg h ARG 307 CO 0.04 1.33 -0.14 0.52 2.80 0.00 0.00 179.97 184.52 3ggg h MET 308 N 0.16 0.19 -0.16 0.20 2.86 -0.85 -3.09 114.93 114.25 3ggg h MET 308 Ca -0.19 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.46 3ggg h MET 308 Cb 2.00 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.63 3ggg h MET 308 CO 0.24 0.34 0.12 0.93 1.06 0.00 0.00 176.91 179.59 3ggg h GLU 309 N 0.18 0.00 0.00 1.72 5.08 -1.33 -3.51 114.58 116.72 3ggg h GLU 309 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3ggg h GLU 309 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3ggg h GLU 309 CO 0.02 0.00 0.00 -0.89 -1.00 0.00 0.00 179.01 177.14