#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3max s VAL 16 N 0.00 1.72 0.10 3.15 1.01 -1.26 -1.31 120.40 123.81 3max s VAL 16 Ca 0.00 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.27 3max s VAL 16 Cb 0.00 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 3max s VAL 16 CO 0.00 0.49 -0.17 0.00 0.00 0.00 0.00 175.10 175.41 3max s TYR 18 N -1.10 0.00 -0.13 0.00 6.14 0.36 -0.31 117.35 122.31 3max s TYR 18 Ca 0.17 0.05 -0.01 0.00 0.64 0.00 0.00 57.07 57.93 3max s TYR 18 Cb -0.11 -0.06 -0.02 0.00 0.42 0.00 0.00 41.96 42.19 3max s TYR 18 CO 0.09 -0.03 -0.10 0.71 0.64 0.00 0.00 175.55 176.87 3max s TYR 19 N 0.30 2.88 -0.23 4.97 1.51 -0.36 -0.29 117.35 126.13 3max s TYR 19 Ca -0.03 -0.44 -0.12 0.00 -1.01 0.00 0.00 57.07 55.47 3max s TYR 19 Cb -0.04 -1.85 0.08 0.00 -0.11 0.00 0.00 41.96 40.04 3max s TYR 19 CO -0.01 -0.08 0.56 -0.47 -1.11 0.00 0.00 175.55 174.44 3max s TYR 20 N 0.16 -0.88 -0.14 2.71 6.14 -0.11 -4.46 117.35 120.77 3max s TYR 20 Ca -0.05 1.78 -0.03 0.00 0.64 0.00 0.00 57.07 59.40 3max s TYR 20 Cb -0.15 0.48 -0.03 0.00 0.42 0.00 0.00 41.96 42.69 3max s TYR 20 CO 0.04 -0.46 -0.03 0.34 0.64 0.00 0.00 175.55 176.08 3max s ASP 21 N 1.68 4.89 0.03 4.32 2.15 -1.26 -4.03 116.67 124.45 3max s ASP 21 Ca -0.09 -0.08 0.06 0.00 0.43 0.00 0.00 52.55 52.87 3max s ASP 21 Cb -0.07 -1.72 0.29 0.00 -0.30 0.00 0.00 42.92 41.11 3max s ASP 21 CO -0.17 0.20 1.20 0.61 -0.17 0.00 0.00 175.17 176.85 3max n GLY 22 N 3.30 -0.69 0.30 2.66 0.00 -1.26 -1.31 105.19 108.19 3max n GLY 22 Ca -0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.96 3max n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3max n ASP 23 N -1.58 1.48 -0.36 1.61 9.92 -1.26 -4.49 116.55 121.87 3max n ASP 23 Ca 0.01 -1.18 0.10 0.00 -0.53 0.00 0.00 54.79 53.19 3max n ASP 23 Cb 0.06 0.50 0.28 0.00 -0.64 0.00 0.00 41.12 41.31 3max n ASP 23 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 3max h ILE 24 N 1.48 0.81 0.00 0.53 6.09 -1.59 0.82 117.51 125.66 3max h ILE 24 Ca 0.00 -0.30 0.00 0.00 -1.37 0.00 0.00 64.86 63.19 3max h ILE 24 Cb 0.63 -0.14 0.00 0.00 0.47 0.00 0.00 36.82 37.78 3max h ILE 24 CO 0.00 0.16 0.00 0.61 -3.07 0.00 0.00 178.15 175.85 3max n GLY 25 N -1.34 -1.05 0.01 8.18 0.00 -1.26 -3.22 105.19 106.52 3max n GLY 25 Ca 0.21 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.23 3max n GLY 25 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3max n ASN 26 N -1.25 0.62 -4.74 1.61 3.02 0.28 -3.70 115.26 111.10 3max n ASN 26 Ca 0.12 -0.32 -0.41 0.00 -0.03 0.00 0.00 54.58 53.95 3max n ASN 26 Cb 0.18 0.46 -0.04 0.00 -0.61 0.00 0.00 39.78 39.76 3max n ASN 26 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3max s TYR 27 N -3.05 3.75 -0.08 3.10 1.51 -1.20 -5.03 117.35 116.34 3max s TYR 27 Ca 0.09 1.74 -0.00 0.00 -1.01 0.00 0.00 57.07 57.88 3max s TYR 27 Cb 0.16 -3.14 0.02 0.00 -0.11 0.00 0.00 41.96 38.90 3max s TYR 27 CO 0.75 -0.09 -0.04 -0.47 -1.11 0.00 0.00 175.55 174.58 3max s TYR 28 N -0.32 1.02 -0.23 2.71 5.04 -1.26 -4.32 117.35 119.99 3max s TYR 28 Ca 0.47 -0.40 0.28 0.00 -2.44 0.00 0.00 57.07 54.98 3max s TYR 28 Cb -0.26 -0.94 0.88 0.00 0.35 0.00 0.00 41.96 41.99 3max s TYR 28 CO 0.32 -0.36 1.80 1.88 -1.34 0.00 0.00 175.55 177.85 3max h TYR 29 N 7.92 0.00 0.00 4.97 0.99 -1.93 -3.45 116.97 125.47 3max h TYR 29 Ca -0.28 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.45 3max h TYR 29 Cb 1.14 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.87 3max h TYR 29 CO 0.48 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 179.05 3max n GLY 30 N 0.56 3.44 3.63 3.88 0.00 -1.26 -4.83 105.19 110.62 3max n GLY 30 Ca 0.02 -1.84 -0.48 0.00 0.00 0.00 0.00 46.02 43.72 3max n GLY 30 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3max n GLN 31 N -1.11 1.72 0.00 1.61 7.27 -1.26 -1.89 117.38 123.72 3max n GLN 31 Ca 0.00 0.62 0.00 0.00 0.07 0.00 0.00 57.00 57.69 3max n GLN 31 Cb 0.00 -2.32 0.00 0.00 2.41 0.00 0.00 30.24 30.33 3max n GLN 31 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3max n GLY 32 N 2.96 2.67 3.71 1.69 0.00 -1.26 -5.01 105.19 109.95 3max n GLY 32 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3max n GLY 32 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3max s HIS 33 N -2.78 3.56 0.08 1.61 2.46 -0.79 -4.93 115.29 114.50 3max s HIS 33 Ca 0.00 1.53 0.31 0.00 0.47 0.00 0.00 55.06 57.36 3max s HIS 33 Cb 0.00 -3.25 1.21 0.00 -0.13 0.00 0.00 32.58 30.41 3max s HIS 33 CO 0.00 -0.55 1.93 -1.00 -2.47 0.00 0.00 174.74 172.65 3max h PRO 34 N 6.83 0.00 -6.25 2.88 0.13 -1.95 -3.42 132.00 130.21 3max h PRO 34 Ca -0.41 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.16 3max h PRO 34 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 3max h PRO 34 CO 0.78 0.05 0.96 1.41 -0.23 0.00 0.00 178.00 180.97 3max s MET 35 N -3.65 4.06 -0.42 0.86 -2.45 -1.26 -4.80 119.30 111.64 3max s MET 35 Ca 0.01 1.50 0.02 0.00 -1.25 0.00 0.00 55.69 55.98 3max s MET 35 Cb 0.09 -3.85 0.12 0.00 1.25 0.00 0.00 34.83 32.45 3max s MET 35 CO 0.57 -0.94 0.19 0.15 1.05 0.00 0.00 175.02 176.04 3max s LYS 36 N 3.91 1.37 0.58 4.11 1.02 -1.26 -4.47 119.74 124.99 3max s LYS 36 Ca 0.57 -1.96 0.29 0.00 0.02 0.00 0.00 55.97 54.89 3max s LYS 36 Cb -0.20 -2.62 1.48 0.00 -0.52 0.00 0.00 37.83 35.96 3max s LYS 36 CO 0.20 -1.09 1.91 -1.35 -0.92 0.00 0.00 175.35 174.11 3max h PRO 37 N 7.05 0.00 -0.61 -1.68 0.11 -1.87 -0.66 132.00 134.34 3max h PRO 37 Ca -0.05 0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.24 3max h PRO 37 Cb 0.95 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 3max h PRO 37 CO 0.53 0.00 0.56 1.25 -0.21 0.00 0.00 178.00 180.13 3max h HIS 38 N 0.00 0.00 -0.02 0.65 6.17 -1.81 -0.89 115.15 119.25 3max h HIS 38 Ca 0.24 0.00 0.01 0.00 0.71 0.00 0.00 60.37 61.33 3max h HIS 38 Cb 1.20 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 31.13 3max h HIS 38 CO 0.00 0.00 0.02 0.07 0.71 0.00 0.00 177.93 178.73 3max h ARG 39 N 0.00 0.00 -0.07 5.26 0.11 -1.47 -0.45 114.38 117.76 3max h ARG 39 Ca 0.29 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 60.14 3max h ARG 39 Cb 1.41 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.50 3max h ARG 39 CO -0.00 0.00 -0.89 0.82 0.10 0.00 0.00 179.97 179.99 3max h ILE 40 N 0.00 1.31 -0.60 0.08 1.08 -1.37 -1.75 117.51 116.26 3max h ILE 40 Ca 0.01 -2.16 -0.10 0.00 -0.39 0.00 0.00 64.86 62.22 3max h ILE 40 Cb 0.05 2.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.98 3max h ILE 40 CO -0.00 0.67 -0.01 -0.09 -0.69 0.00 0.00 178.15 178.03 3max h ARG 41 N 0.41 1.07 -0.61 2.37 2.43 -1.47 -0.18 114.38 118.40 3max h ARG 41 Ca -0.08 -0.34 -0.02 0.00 -0.81 0.00 0.00 59.98 58.73 3max h ARG 41 Cb 1.52 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.95 3max h ARG 41 CO 0.17 1.05 0.32 0.52 -1.51 0.00 0.00 179.97 180.52 3max h MET 42 N 0.96 0.86 0.29 0.20 2.86 -1.09 0.12 114.93 119.14 3max h MET 42 Ca 0.17 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3max h MET 42 Cb 0.57 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 3max h MET 42 CO 0.03 0.66 -0.24 1.15 1.06 0.00 0.00 176.91 179.57 3max h THR 43 N 0.83 0.48 -0.16 2.22 2.02 -1.16 -0.96 112.91 116.17 3max h THR 43 Ca 0.21 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.44 3max h THR 43 Cb 0.07 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 66.91 3max h THR 43 CO -0.03 0.00 -0.15 -0.74 0.37 0.00 0.00 175.52 174.97 3max h HIS 44 N -0.55 -0.38 -0.67 3.16 6.17 -0.77 -1.62 115.15 120.50 3max h HIS 44 Ca -0.02 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.07 3max h HIS 44 Cb 0.49 0.19 -0.03 0.00 2.52 0.00 0.00 27.41 30.58 3max h HIS 44 CO -0.14 -0.22 0.36 -0.97 0.71 0.00 0.00 177.93 177.67 3max h ASN 45 N -0.17 0.82 -0.21 3.26 -0.73 -0.65 -1.17 115.58 116.73 3max h ASN 45 Ca 0.11 -0.06 -0.03 0.00 1.87 0.00 0.00 56.30 58.18 3max h ASN 45 Cb 0.33 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.70 3max h ASN 45 CO -0.27 0.67 0.01 0.25 -0.37 0.00 0.00 177.43 177.73 3max h LEU 46 N 0.93 0.35 -1.05 0.34 5.85 -0.79 -1.91 115.31 119.03 3max h LEU 46 Ca 0.24 -0.29 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 3max h LEU 46 Cb 0.03 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3max h LEU 46 CO -0.04 0.55 -0.40 0.17 -0.34 0.00 0.00 178.44 178.39 3max h LEU 47 N 0.14 0.00 -0.57 2.25 8.10 -1.02 -1.30 115.31 122.91 3max h LEU 47 Ca 0.06 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 58.03 3max h LEU 47 Cb 0.36 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.56 3max h LEU 47 CO 0.01 0.40 0.25 -0.07 -4.11 0.00 0.00 178.44 174.92 3max h LEU 48 N 0.00 0.76 -0.61 0.17 3.38 -1.14 -1.82 115.31 116.05 3max h LEU 48 Ca -0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3max h LEU 48 Cb 0.84 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3max h LEU 48 CO 0.05 0.70 0.00 0.78 0.09 0.00 0.00 178.44 180.06 3max h ASN 49 N 0.78 0.00 0.63 -0.43 2.35 -0.54 -1.61 115.58 116.75 3max h ASN 49 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3max h ASN 49 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3max h ASN 49 CO -0.02 0.00 0.00 -1.22 -1.65 0.00 0.00 177.43 174.54 3max n TYR 50 N -2.87 0.00 -0.95 1.19 4.01 -0.56 -4.83 117.16 113.15 3max n TYR 50 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 3max n TYR 50 Cb 0.40 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 3max n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3max n GLY 51 N 1.29 0.47 0.18 2.72 0.00 -0.61 -4.95 105.19 104.29 3max n GLY 51 Ca 0.13 -0.53 0.14 0.00 0.00 0.00 0.00 46.02 45.75 3max n GLY 51 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3max h LEU 52 N 0.00 0.00 -2.10 0.99 3.38 -1.53 -2.19 115.31 113.86 3max h LEU 52 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3max h LEU 52 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3max h LEU 52 CO 0.00 0.00 0.00 0.10 0.09 0.00 0.00 178.44 178.63 3max h TYR 53 N 0.00 0.00 0.00 1.13 -0.00 -1.86 -2.46 116.97 113.79 3max h TYR 53 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.68 3max h TYR 53 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.14 3max h TYR 53 CO 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 178.16 177.92 3max h ARG 54 N 0.00 0.00 -0.02 0.10 3.08 -1.79 -3.21 114.38 112.54 3max h ARG 54 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3max h ARG 54 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3max h ARG 54 CO 0.00 0.24 -0.06 1.63 -1.07 0.00 0.00 179.97 180.71 3max n LYS 55 N -3.53 1.15 -4.20 0.04 4.01 -0.93 -5.01 118.16 109.70 3max n LYS 55 Ca -0.01 -1.21 -0.12 0.00 -0.51 0.00 0.00 58.31 56.46 3max n LYS 55 Cb 0.39 -1.25 -0.10 0.00 -0.51 0.00 0.00 35.03 33.56 3max n LYS 55 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3max s MET 56 N -1.28 0.94 -0.21 1.97 0.23 -1.21 -4.70 119.30 115.04 3max s MET 56 Ca 0.15 -1.40 -0.24 0.00 -1.03 0.00 0.00 55.69 53.17 3max s MET 56 Cb 0.12 -0.30 -0.01 0.00 -1.53 0.00 0.00 34.83 33.11 3max s MET 56 CO 0.21 -0.03 0.79 -1.21 -2.03 0.00 0.00 175.02 172.75 3max s GLU 57 N -3.84 4.23 -0.19 3.16 0.41 -0.88 -4.87 118.70 116.72 3max s GLU 57 Ca 0.16 0.90 -0.06 0.00 -0.41 0.00 0.00 54.97 55.56 3max s GLU 57 Cb 0.05 -3.61 -0.03 0.00 -1.78 0.00 0.00 34.13 28.76 3max s GLU 57 CO -0.02 -0.40 0.02 0.42 -0.49 0.00 0.00 175.26 174.80 3max s ILE 58 N 2.42 4.26 0.19 -1.63 1.01 -1.26 -0.49 121.20 125.71 3max s ILE 58 Ca 0.35 -0.21 0.10 0.00 0.00 0.00 0.00 60.65 60.89 3max s ILE 58 Cb -0.16 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 3max s ILE 58 CO 0.10 0.44 -0.21 -0.31 0.00 0.00 0.00 174.94 174.96 3max s TYR 59 N 0.71 2.12 0.05 3.97 2.02 0.60 -4.95 117.35 121.86 3max s TYR 59 Ca 0.01 -0.40 -0.22 0.00 -0.37 0.00 0.00 57.07 56.09 3max s TYR 59 Cb -0.14 -1.04 -0.06 0.00 -0.40 0.00 0.00 41.96 40.32 3max s TYR 59 CO 0.02 0.45 0.66 1.03 -1.57 0.00 0.00 175.55 176.15 3max s ARG 60 N -2.79 4.38 0.67 -0.62 0.52 -1.26 -0.94 118.95 118.92 3max s ARG 60 Ca 0.20 0.89 -0.14 0.00 -0.52 0.00 0.00 55.73 56.15 3max s ARG 60 Cb -0.07 -3.32 0.01 0.00 0.52 0.00 0.00 34.95 32.09 3max s ARG 60 CO 0.09 0.42 1.11 -1.25 0.02 0.00 0.00 175.30 175.68 3max s PRO 61 N -0.44 2.75 0.79 3.54 0.04 -1.26 -4.90 135.00 135.52 3max s PRO 61 Ca 0.33 1.36 -0.11 0.00 0.04 0.00 0.00 61.00 62.63 3max s PRO 61 Cb -0.20 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.47 3max s PRO 61 CO 0.20 -1.28 1.15 -3.38 0.04 0.00 0.00 177.00 173.73 3max s HIS 62 N -2.40 2.97 -0.57 0.56 -3.43 -1.26 -4.94 115.29 106.23 3max s HIS 62 Ca 0.66 0.73 -0.25 0.00 -0.80 0.00 0.00 55.06 55.40 3max s HIS 62 Cb -0.20 -3.43 0.04 0.00 -1.43 0.00 0.00 32.58 27.56 3max s HIS 62 CO 0.43 -1.69 1.00 0.15 -2.00 0.00 0.00 174.74 172.63 3max s LYS 63 N -5.52 3.35 0.18 -0.38 1.02 -1.26 -4.17 119.74 112.96 3max s LYS 63 Ca 0.61 -0.19 -0.33 0.00 0.02 0.00 0.00 55.97 56.09 3max s LYS 63 Cb -0.11 -4.06 -0.16 0.00 -0.52 0.00 0.00 37.83 32.99 3max s LYS 63 CO 0.49 -1.55 1.14 0.00 -0.92 0.00 0.00 175.35 174.50 3max n ALA 64 N 7.71 -0.83 -1.93 5.17 0.00 -0.73 -4.95 120.51 124.95 3max n ALA 64 Ca 0.03 0.46 -0.29 0.00 0.00 0.00 0.00 53.44 53.64 3max n ALA 64 Cb 0.48 -2.02 0.05 0.00 0.00 0.00 0.00 19.45 17.96 3max n ALA 64 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3max s THR 65 N -0.25 3.45 0.29 0.00 -4.23 -1.26 -4.73 115.64 108.91 3max s THR 65 Ca 0.73 0.35 -0.02 0.00 -1.18 0.00 0.00 61.69 61.56 3max s THR 65 Cb -0.85 -3.45 0.27 0.00 1.34 0.00 0.00 72.50 69.81 3max s THR 65 CO 0.53 -0.56 1.94 0.00 -0.54 0.00 0.00 174.62 175.99 3max h ALA 66 N -0.57 1.41 -0.65 3.99 0.00 -1.99 -1.37 119.26 120.09 3max h ALA 66 Ca -0.45 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.49 3max h ALA 66 Cb 1.26 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 3max h ALA 66 CO 0.63 0.51 0.32 1.49 0.00 0.00 0.00 179.25 182.20 3max h GLU 67 N 1.15 0.55 -0.13 0.00 4.81 -1.98 -0.16 114.58 118.82 3max h GLU 67 Ca 0.34 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.53 3max h GLU 67 Cb -0.03 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3max h GLU 67 CO -0.09 0.36 0.02 0.93 -0.73 0.00 0.00 179.01 179.50 3max h GLU 68 N 0.56 0.21 -0.31 1.92 5.08 -1.79 -3.20 114.58 117.05 3max h GLU 68 Ca 0.31 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 3max h GLU 68 Cb 0.30 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3max h GLU 68 CO -0.24 0.40 0.05 0.52 -1.00 0.00 0.00 179.01 178.74 3max h MET 69 N -0.01 0.45 -0.01 2.33 2.86 -0.83 -2.51 114.93 117.20 3max h MET 69 Ca 0.04 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3max h MET 69 Cb 0.29 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.87 3max h MET 69 CO 0.00 0.44 0.00 0.25 1.06 0.00 0.00 176.91 178.66 3max n THR 70 N -4.34 0.01 0.32 2.22 -2.24 -0.11 -1.59 114.28 108.55 3max n THR 70 Ca 0.01 -0.04 0.20 0.00 -2.27 0.00 0.00 64.05 61.95 3max n THR 70 Cb 0.19 -0.31 1.07 0.00 -2.10 0.00 0.00 70.33 69.18 3max n THR 70 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3max h LYS 71 N 0.29 0.00 0.00 -0.78 1.79 -1.48 -3.36 116.57 113.03 3max h LYS 71 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3max h LYS 71 Cb 0.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 3max h LYS 71 CO 0.00 0.01 -0.72 0.98 -1.08 0.00 0.00 179.45 178.63 3max n TYR 72 N -3.35 0.00 -2.46 -1.35 -0.00 -1.04 -5.08 117.16 103.88 3max n TYR 72 Ca -0.03 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.54 3max n TYR 72 Cb 0.10 0.13 -0.03 0.00 -0.00 0.00 0.00 39.34 39.54 3max n TYR 72 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 3max s HIS 73 N -1.98 3.10 0.46 2.98 3.76 -0.62 -4.84 115.29 118.14 3max s HIS 73 Ca 0.00 1.55 -0.23 0.00 -0.15 0.00 0.00 55.06 56.24 3max s HIS 73 Cb 0.00 -2.99 -0.07 0.00 1.11 0.00 0.00 32.58 30.63 3max s HIS 73 CO 0.00 -0.72 1.15 -1.54 -0.85 0.00 0.00 174.74 172.78 3max s SER 74 N -2.32 6.18 0.25 1.40 1.04 -1.01 -4.28 113.70 114.96 3max s SER 74 Ca 0.65 2.27 -0.03 0.00 0.48 0.00 0.00 55.95 59.31 3max s SER 74 Cb -0.14 -2.60 0.44 0.00 0.10 0.00 0.00 66.02 63.82 3max s SER 74 CO 0.24 -0.91 1.80 0.44 0.98 0.00 0.00 173.24 175.79 3max h ASP 75 N 2.00 0.68 -0.46 7.02 5.19 -1.93 -2.31 116.42 126.60 3max h ASP 75 Ca -0.49 0.06 -0.04 0.00 -0.62 0.00 0.00 57.03 55.93 3max h ASP 75 Cb 1.25 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.66 3max h ASP 75 CO 0.60 0.37 0.14 -0.33 -3.12 0.00 0.00 179.24 176.90 3max h GLU 76 N 0.79 0.72 -0.30 3.56 3.07 -1.99 -0.54 114.58 119.89 3max h GLU 76 Ca 0.42 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 59.12 3max h GLU 76 Cb 0.43 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 3max h GLU 76 CO -0.27 0.69 0.17 -0.92 -1.40 0.00 0.00 179.01 177.28 3max h TYR 77 N 0.61 0.41 -0.39 4.33 3.20 -1.81 -1.49 116.97 121.82 3max h TYR 77 Ca 0.15 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 3max h TYR 77 Cb 0.28 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3max h TYR 77 CO 0.01 0.33 0.01 0.82 -1.64 0.00 0.00 178.16 177.69 3max h ILE 78 N 0.37 1.26 -0.68 1.81 1.08 -1.30 -1.19 117.51 118.85 3max h ILE 78 Ca 0.11 -0.99 0.08 0.00 -0.39 0.00 0.00 64.86 63.66 3max h ILE 78 Cb 0.06 1.13 -0.06 0.00 -3.07 0.00 0.00 36.82 34.87 3max h ILE 78 CO -0.02 0.33 0.35 0.50 -0.69 0.00 0.00 178.15 178.63 3max h LYS 79 N 0.51 0.60 -0.13 2.37 3.64 -1.02 -0.02 116.57 122.52 3max h LYS 79 Ca 0.11 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3max h LYS 79 Cb 0.46 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 3max h LYS 79 CO 0.02 0.40 -0.00 0.35 -2.27 0.00 0.00 179.45 177.94 3max h PHE 80 N 0.62 -0.01 -0.47 1.91 3.04 -0.99 -2.23 116.94 118.81 3max h PHE 80 Ca 0.33 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.30 3max h PHE 80 Cb 0.30 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.81 3max h PHE 80 CO -0.10 -0.02 0.31 -0.07 -2.02 0.00 0.00 178.31 176.41 3max h LEU 81 N 0.04 0.53 -0.02 0.59 3.38 -0.53 -0.98 115.31 118.33 3max h LEU 81 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3max h LEU 81 Cb 0.07 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3max h LEU 81 CO -0.10 0.38 0.00 -1.14 0.09 0.00 0.00 178.44 177.66 3max n ARG 82 N -4.47 0.01 -0.06 1.13 0.63 -0.08 -3.99 116.66 109.83 3max n ARG 82 Ca 0.04 0.12 -0.07 0.00 -0.92 0.00 0.00 57.85 57.02 3max n ARG 82 Cb 0.07 -1.52 -0.07 0.00 0.45 0.00 0.00 32.46 31.40 3max n ARG 82 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3max n SER 83 N -1.54 2.85 -4.72 6.15 7.64 -0.49 -5.03 113.62 118.48 3max n SER 83 Ca 0.05 -0.04 -0.42 0.00 1.01 0.00 0.00 58.87 59.48 3max n SER 83 Cb 0.27 0.22 -0.03 0.00 -1.01 0.00 0.00 64.21 63.67 3max n SER 83 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 3max s ILE 84 N -2.24 3.11 0.08 0.44 1.10 -0.52 -5.00 121.20 118.18 3max s ILE 84 Ca -0.11 0.84 -0.04 0.00 -0.51 0.00 0.00 60.65 60.83 3max s ILE 84 Cb 0.04 -3.54 -0.03 0.00 0.15 0.00 0.00 42.46 39.08 3max s ILE 84 CO 0.33 0.09 0.07 -0.13 -2.11 0.00 0.00 174.94 173.19 3max s ARG 85 N 0.63 0.77 0.30 3.50 0.52 -1.26 -4.90 118.95 118.51 3max s ARG 85 Ca 0.63 -1.18 0.03 0.00 -0.52 0.00 0.00 55.73 54.69 3max s ARG 85 Cb -0.38 0.27 0.61 0.00 0.52 0.00 0.00 34.95 35.96 3max s ARG 85 CO 0.34 -0.20 1.84 -1.35 0.02 0.00 0.00 175.30 175.94 3max h PRO 86 N 2.94 0.90 0.00 3.54 0.11 -1.86 -2.72 132.00 134.91 3max h PRO 86 Ca -0.34 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3max h PRO 86 Cb 1.17 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3max h PRO 86 CO 0.61 0.60 0.00 -0.40 -0.21 0.00 0.00 178.00 178.60 3max n ASP 87 N -4.61 0.20 -0.11 -2.05 5.75 -1.26 -3.35 116.55 111.11 3max n ASP 87 Ca 0.19 0.54 0.05 0.00 -0.01 0.00 0.00 54.79 55.56 3max n ASP 87 Cb 0.38 -0.58 0.08 0.00 -1.03 0.00 0.00 41.12 39.97 3max n ASP 87 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3max n ASN 88 N -1.71 1.76 -0.08 -1.12 0.23 -1.04 -4.84 115.26 108.46 3max n ASN 88 Ca 0.04 -2.52 0.10 0.00 -0.53 0.00 0.00 54.58 51.67 3max n ASN 88 Cb 0.26 -0.26 0.47 0.00 -2.08 0.00 0.00 39.78 38.16 3max n ASN 88 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 3max h MET 89 N 0.00 0.47 -0.33 -3.83 2.86 -1.51 -2.48 114.93 110.11 3max h MET 89 Ca 0.00 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 3max h MET 89 Cb 0.94 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 3max h MET 89 CO 0.00 0.31 -0.23 0.66 1.06 0.00 0.00 176.91 178.71 3max h SER 90 N 0.48 0.63 0.48 1.22 4.64 -1.88 -2.58 113.55 116.55 3max h SER 90 Ca 0.25 -0.22 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 3max h SER 90 Cb 0.38 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3max h SER 90 CO -0.07 0.85 -0.15 -0.33 -0.87 0.00 0.00 176.83 176.26 3max h GLU 91 N 0.55 0.00 -0.22 4.77 5.08 -1.83 -3.25 114.58 119.69 3max h GLU 91 Ca 0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3max h GLU 91 Cb 0.69 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3max h GLU 91 CO 0.05 0.15 -0.01 0.66 -1.00 0.00 0.00 179.01 178.86 3max n TYR 92 N -3.61 0.77 -0.17 4.33 4.02 -0.99 -4.84 117.16 116.68 3max n TYR 92 Ca -0.01 -1.00 0.00 0.00 -0.01 0.00 0.00 57.90 56.88 3max n TYR 92 Cb 0.28 -0.31 0.26 0.00 -0.02 0.00 0.00 39.34 39.56 3max n TYR 92 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3max h SER 93 N 1.35 0.79 0.65 7.72 4.64 -1.56 -0.61 113.55 126.53 3max h SER 93 Ca 0.03 -0.04 -0.17 0.00 -0.47 0.00 0.00 61.79 61.13 3max h SER 93 Cb 1.38 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 3max h SER 93 CO 0.20 0.61 -0.78 0.11 -0.87 0.00 0.00 176.83 176.10 3max h LYS 94 N 0.91 0.09 -0.23 4.77 1.79 -1.90 -2.62 116.57 119.39 3max h LYS 94 Ca 0.24 -0.09 -0.16 0.00 -2.18 0.00 0.00 60.65 58.46 3max h LYS 94 Cb -0.03 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 3max h LYS 94 CO -0.04 0.82 -0.50 1.96 -1.08 0.00 0.00 179.45 180.61 3max h GLN 95 N 0.06 0.63 -0.90 3.15 4.20 -1.83 -0.95 115.11 119.47 3max h GLN 95 Ca -0.02 -0.37 0.04 0.00 0.06 0.00 0.00 58.65 58.36 3max h GLN 95 Cb 1.37 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 29.12 3max h GLN 95 CO 0.11 0.98 0.58 0.52 -0.67 0.00 0.00 178.83 180.35 3max h MET 96 N 0.49 1.09 -0.20 1.46 2.86 -1.06 0.66 114.93 120.23 3max h MET 96 Ca 0.02 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 3max h MET 96 Cb 1.04 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 3max h MET 96 CO 0.10 0.72 0.00 0.37 1.06 0.00 0.00 176.91 179.16 3max h GLN 97 N 1.12 0.35 -0.79 1.72 4.15 -1.33 0.44 115.11 120.78 3max h GLN 97 Ca 0.36 -0.11 -0.00 0.00 0.77 0.00 0.00 58.65 59.67 3max h GLN 97 Cb 0.02 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.64 3max h GLN 97 CO -0.12 0.54 0.49 -0.09 -1.93 0.00 0.00 178.83 177.72 3max h ARG 98 N 0.11 1.06 -0.17 1.69 2.43 -0.47 -2.96 114.38 116.07 3max h ARG 98 Ca 0.06 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3max h ARG 98 Cb 0.38 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3max h ARG 98 CO 0.01 0.74 0.00 1.19 -1.51 0.00 0.00 179.97 180.40 3max n PHE 99 N -4.49 0.21 -3.58 2.20 3.72 0.16 -4.87 117.46 110.80 3max n PHE 99 Ca 0.08 -0.10 -0.22 0.00 -0.05 0.00 0.00 57.45 57.15 3max n PHE 99 Cb 0.04 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.66 3max n PHE 99 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3max n ASN 100 N 0.83 -4.64 -4.39 4.37 5.15 -0.57 -1.05 115.26 114.96 3max n ASN 100 Ca 0.17 -0.60 -0.33 0.00 -0.60 0.00 0.00 54.58 53.22 3max n ASN 100 Cb 0.47 -4.92 -0.14 0.00 -0.53 0.00 0.00 39.78 34.66 3max n ASN 100 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3max s VAL 101 N -3.35 2.94 0.00 3.44 1.01 0.04 -4.47 120.40 120.01 3max s VAL 101 Ca 0.38 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3max s VAL 101 Cb -0.17 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.01 3max s VAL 101 CO 0.74 0.55 0.00 0.61 0.00 0.00 0.00 175.10 177.00 3max n GLY 102 N 3.12 1.31 0.00 4.51 0.00 0.16 -4.46 105.19 109.82 3max n GLY 102 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3max n GLY 102 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3max n GLU 103 N 0.00 0.00 0.27 1.61 1.02 -1.26 -4.65 120.64 117.63 3max n GLU 103 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 3max n GLU 103 Cb 0.00 0.00 0.74 0.00 -0.02 0.00 0.00 31.44 32.16 3max n GLU 103 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3max h ASP 104 N 0.00 0.00 -3.24 1.62 5.19 -1.97 -3.10 116.42 114.91 3max h ASP 104 Ca 0.00 0.00 -0.69 0.00 -0.62 0.00 0.00 57.03 55.72 3max h ASP 104 Cb 0.00 0.00 -0.36 0.00 0.18 0.00 0.00 39.33 39.15 3max h ASP 104 CO 0.00 0.10 -0.15 0.00 -3.12 0.00 0.00 179.24 176.07 3max s PRO 106 N -1.46 1.66 -0.08 0.00 0.04 -1.18 0.38 135.00 134.36 3max s PRO 106 Ca 0.28 0.87 -0.24 0.00 0.04 0.00 0.00 61.00 61.95 3max s PRO 106 Cb -0.06 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 3max s PRO 106 CO -0.13 -1.97 0.72 0.08 0.04 0.00 0.00 177.00 175.74 3max s VAL 107 N -2.97 5.03 0.05 -0.36 1.01 -1.26 -4.63 120.40 117.26 3max s VAL 107 Ca 0.62 1.46 -0.07 0.00 0.00 0.00 0.00 61.98 64.00 3max s VAL 107 Cb -0.17 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 3max s VAL 107 CO 0.56 0.22 0.13 0.72 0.00 0.00 0.00 175.10 176.73 3max s PHE 108 N 1.00 0.19 0.07 5.22 -0.71 -1.26 -4.79 117.98 117.70 3max s PHE 108 Ca 0.37 -0.52 -0.35 0.00 -1.04 0.00 0.00 56.93 55.40 3max s PHE 108 Cb -0.18 -0.12 -0.14 0.00 -1.21 0.00 0.00 43.02 41.37 3max s PHE 108 CO 0.17 -0.42 1.63 -0.25 -1.34 0.00 0.00 175.22 175.02 3max n ASP 109 N 0.52 2.98 -0.09 1.98 8.00 -1.26 -1.73 116.55 126.95 3max n ASP 109 Ca -0.18 1.06 -0.01 0.00 0.71 0.00 0.00 54.79 56.37 3max n ASP 109 Cb 0.60 -1.37 -0.01 0.00 -0.02 0.00 0.00 41.12 40.32 3max n ASP 109 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3max n GLY 110 N 3.59 0.50 0.18 0.44 0.00 -1.26 -4.70 105.19 103.94 3max n GLY 110 Ca 0.19 -0.64 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 3max n GLY 110 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3max h LEU 111 N 0.00 -0.36 -0.60 0.99 5.85 -1.69 0.27 115.31 119.76 3max h LEU 111 Ca -0.03 0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 3max h LEU 111 Cb 0.11 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3max h LEU 111 CO 0.04 -0.13 0.03 0.15 -0.34 0.00 0.00 178.44 178.19 3max h PHE 112 N 0.02 1.12 -0.70 1.25 3.57 -1.86 -1.56 116.94 118.78 3max h PHE 112 Ca 0.21 -0.18 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 3max h PHE 112 Cb 0.31 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 3max h PHE 112 CO -0.36 0.98 0.27 1.49 -2.23 0.00 0.00 178.31 178.47 3max h GLU 113 N 0.94 1.05 -0.43 1.11 4.81 -1.82 0.31 114.58 120.56 3max h GLU 113 Ca 0.17 -0.20 0.06 0.00 -0.13 0.00 0.00 59.36 59.27 3max h GLU 113 Cb 0.51 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 3max h GLU 113 CO 0.02 0.88 0.11 0.35 -0.73 0.00 0.00 179.01 179.64 3max h PHE 114 N 1.00 0.19 -0.46 0.92 3.04 -0.64 -0.74 116.94 120.25 3max h PHE 114 Ca 0.23 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.22 3max h PHE 114 Cb 0.22 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.69 3max h PHE 114 CO 0.02 0.04 0.29 0.00 -2.02 0.00 0.00 178.31 176.64 3max h GLN 116 N 0.60 0.79 -0.16 0.00 4.20 -0.57 -0.83 115.11 119.13 3max h GLN 116 Ca 0.18 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.73 3max h GLN 116 Cb -0.03 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.57 3max h GLN 116 CO -0.06 0.52 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.22 3max h LEU 117 N 0.81 0.57 -0.74 1.46 3.38 -1.04 0.51 115.31 120.26 3max h LEU 117 Ca 0.26 -0.55 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 3max h LEU 117 Cb -0.01 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3max h LEU 117 CO -0.09 1.02 0.27 0.28 0.09 0.00 0.00 178.44 180.01 3max h SER 118 N 0.14 1.05 -0.10 -0.43 0.02 -1.28 -2.94 113.55 110.01 3max h SER 118 Ca 0.01 -0.19 -0.19 0.00 -0.84 0.00 0.00 61.79 60.58 3max h SER 118 Cb 0.92 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 63.20 3max h SER 118 CO 0.07 0.95 -0.67 0.74 -1.14 0.00 0.00 176.83 176.78 3max h THR 119 N 1.08 1.33 -0.73 -2.27 2.02 -1.12 -3.30 112.91 109.93 3max h THR 119 Ca 0.24 -1.95 0.16 0.00 0.77 0.00 0.00 66.41 65.63 3max h THR 119 Cb 0.25 2.18 -0.11 0.00 -1.74 0.00 0.00 68.15 68.73 3max h THR 119 CO -0.02 0.60 0.14 1.23 0.37 0.00 0.00 175.52 177.84 3max h GLY 120 N 0.28 0.97 1.18 2.16 0.00 0.07 -2.11 103.07 105.62 3max h GLY 120 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3max h GLY 120 CO 0.14 -0.22 0.53 -1.33 0.00 0.00 0.00 176.54 175.66 3max h GLY 121 N 0.23 1.17 0.38 4.60 0.00 -1.59 -0.48 103.07 107.39 3max h GLY 121 Ca 0.41 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 3max h GLY 121 CO -0.53 0.44 -0.04 1.76 0.00 0.00 0.00 176.54 178.17 3max h SER 122 N 1.12 0.05 -0.61 0.19 0.02 -1.52 -1.18 113.55 111.61 3max h SER 122 Ca 0.30 -0.65 -0.06 0.00 -0.84 0.00 0.00 61.79 60.54 3max h SER 122 Cb -0.10 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 3max h SER 122 CO -0.06 0.69 0.16 0.58 -1.14 0.00 0.00 176.83 177.06 3max h VAL 123 N -0.60 1.25 -0.77 2.27 2.07 -1.39 -0.89 116.25 118.20 3max h VAL 123 Ca -0.00 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 3max h VAL 123 Cb 0.69 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 3max h VAL 123 CO 0.01 0.34 0.37 0.00 0.02 0.00 0.00 177.57 178.31 3max h ALA 124 N 1.05 1.21 -0.39 1.67 0.00 -1.12 -1.42 119.26 120.26 3max h ALA 124 Ca 0.19 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3max h ALA 124 Cb 0.34 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3max h ALA 124 CO 0.00 0.61 0.12 0.78 0.00 0.00 0.00 179.25 180.76 3max h GLY 125 N 1.13 0.66 0.95 0.00 0.00 -0.97 -1.78 103.07 103.05 3max h GLY 125 Ca 0.27 -0.39 0.03 0.00 0.00 0.00 0.00 47.33 47.24 3max h GLY 125 CO -0.03 0.37 0.64 0.00 0.00 0.00 0.00 176.54 177.51 3max h ALA 126 N 0.96 1.36 -0.36 3.60 0.00 -0.86 -1.39 119.26 122.58 3max h ALA 126 Ca 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3max h ALA 126 Cb 0.26 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3max h ALA 126 CO -0.00 0.56 0.07 0.28 0.00 0.00 0.00 179.25 180.16 3max h VAL 127 N 1.25 1.23 -0.89 0.00 2.07 -1.02 -0.07 116.25 118.82 3max h VAL 127 Ca 0.38 -0.80 0.07 0.00 0.82 0.00 0.00 66.70 67.17 3max h VAL 127 Cb -0.03 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 3max h VAL 127 CO -0.11 0.27 0.55 0.11 0.02 0.00 0.00 177.57 178.41 3max h LYS 128 N 0.43 0.96 -0.12 1.57 1.79 -0.99 -0.18 116.57 120.03 3max h LYS 128 Ca 0.11 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.51 3max h LYS 128 Cb 0.33 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 30.76 3max h LYS 128 CO 0.00 0.63 0.01 -0.07 -1.08 0.00 0.00 179.45 178.95 3max h LEU 129 N 0.99 0.20 -0.64 2.94 3.38 -0.98 -0.96 115.31 120.22 3max h LEU 129 Ca 0.39 -0.27 0.09 0.00 0.09 0.00 0.00 57.88 58.17 3max h LEU 129 Cb 0.21 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 3max h LEU 129 CO -0.19 0.42 0.29 0.78 0.09 0.00 0.00 178.44 179.84 3max h ASN 130 N -0.04 0.36 0.08 -0.43 2.35 -0.65 -1.46 115.58 115.80 3max h ASN 130 Ca 0.04 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3max h ASN 130 Cb 0.31 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.69 3max h ASN 130 CO 0.00 0.21 0.00 0.54 -1.65 0.00 0.00 177.43 176.54 3max n ARG 131 N -4.92 0.70 -3.10 0.81 1.74 -0.11 -4.88 116.66 106.90 3max n ARG 131 Ca 0.09 0.01 -0.22 0.00 -0.77 0.00 0.00 57.85 56.96 3max n ARG 131 Cb 0.25 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.21 3max n ARG 131 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3max n GLN 132 N -1.05 -4.13 0.00 5.56 6.02 -0.55 -4.87 117.38 118.36 3max n GLN 132 Ca 0.17 0.73 0.13 0.00 -0.01 0.00 0.00 57.00 58.03 3max n GLN 132 Cb 0.11 -5.52 0.37 0.00 1.02 0.00 0.00 30.24 26.22 3max n GLN 132 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3max n GLN 133 N -3.83 0.46 -3.67 -1.09 6.02 -0.41 -4.93 117.38 109.93 3max n GLN 133 Ca -0.08 -0.25 -0.10 0.00 -0.01 0.00 0.00 57.00 56.56 3max n GLN 133 Cb 0.59 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 30.31 3max n GLN 133 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3max s THR 134 N -2.71 0.08 -0.13 5.09 -1.32 -1.23 -5.01 115.64 110.40 3max s THR 134 Ca 0.19 -0.65 0.05 0.00 -1.21 0.00 0.00 61.69 60.08 3max s THR 134 Cb 0.19 -1.16 -0.23 0.00 -1.51 0.00 0.00 72.50 69.79 3max s THR 134 CO 0.58 -0.36 0.30 0.47 -2.21 0.00 0.00 174.62 173.40 3max n ASP 135 N -0.09 1.34 -4.07 8.08 9.92 -0.89 -4.63 116.55 126.21 3max n ASP 135 Ca -0.16 0.17 -0.20 0.00 -0.53 0.00 0.00 54.79 54.08 3max n ASP 135 Cb 0.63 -0.21 -0.14 0.00 -0.64 0.00 0.00 41.12 40.75 3max n ASP 135 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 3max s MET 136 N -2.55 0.86 -0.02 -1.24 -1.94 -0.43 -1.37 119.30 112.61 3max s MET 136 Ca -0.17 -0.47 0.04 0.00 -1.71 0.00 0.00 55.69 53.39 3max s MET 136 Cb 0.07 -0.83 -0.01 0.00 2.01 0.00 0.00 34.83 36.07 3max s MET 136 CO 0.77 0.22 -0.15 0.00 -0.01 0.00 0.00 175.02 175.84 3max s ALA 137 N -0.41 1.33 -0.08 3.03 0.00 -0.76 -1.12 121.76 123.75 3max s ALA 137 Ca 0.03 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.37 3max s ALA 137 Cb -0.05 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.69 3max s ALA 137 CO -0.00 0.29 -0.17 0.08 0.00 0.00 0.00 175.76 175.96 3max s VAL 138 N -0.19 1.53 -0.34 0.00 1.01 0.57 -1.08 120.40 121.91 3max s VAL 138 Ca 0.02 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 3max s VAL 138 Cb -0.08 -1.35 0.12 0.00 0.00 0.00 0.00 36.38 35.07 3max s VAL 138 CO 0.00 0.44 0.16 0.21 0.00 0.00 0.00 175.10 175.92 3max s ASN 139 N 0.54 3.47 0.49 3.32 2.47 -0.28 -1.22 114.94 123.73 3max s ASN 139 Ca -0.16 -1.85 0.32 0.00 0.42 0.00 0.00 52.86 51.59 3max s ASN 139 Cb -0.17 -0.58 1.43 0.00 -1.45 0.00 0.00 41.25 40.48 3max s ASN 139 CO 0.06 -0.37 1.96 -0.50 -3.72 0.00 0.00 177.10 174.54 3max h TRP 140 N 7.64 0.00 0.00 0.43 -0.00 -1.81 -1.95 115.95 120.26 3max h TRP 140 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.82 3max h TRP 140 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.15 3max h TRP 140 CO 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.82 3max n ALA 141 N -2.00 2.06 -1.80 1.49 0.00 -1.26 -3.67 120.51 115.33 3max n ALA 141 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3max n ALA 141 Cb 0.24 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3max n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3max n GLY 142 N 0.84 0.86 0.98 0.00 0.00 -0.78 -4.75 105.19 102.34 3max n GLY 142 Ca 0.04 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.16 3max n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3max n GLY 143 N 5.00 1.01 2.81 -0.02 0.00 -1.26 -2.36 105.19 110.37 3max n GLY 143 Ca 0.00 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 3max n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3max n LEU 144 N 0.00 6.69 0.00 0.99 4.32 -1.26 -4.25 117.00 123.49 3max n LEU 144 Ca 0.00 -4.16 0.11 0.00 -0.02 0.00 0.00 56.01 51.94 3max n LEU 144 Cb 0.16 -1.65 0.54 0.00 -1.62 0.00 0.00 43.42 40.84 3max n LEU 144 CO 0.00 1.05 0.86 0.00 -1.22 0.00 0.00 177.39 178.08 3max n HIS 145 N 6.11 0.00 0.29 -1.77 1.44 -1.26 -3.10 115.22 116.93 3max n HIS 145 Ca 0.51 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 56.33 3max n HIS 145 Cb 0.39 -0.35 0.00 0.00 0.12 0.00 0.00 29.99 30.16 3max n HIS 145 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3max n HIS 146 N -1.35 0.56 -1.90 -1.40 8.25 -1.26 -0.94 115.22 117.18 3max n HIS 146 Ca 0.09 0.16 -0.41 0.00 -0.26 0.00 0.00 57.72 57.30 3max n HIS 146 Cb 0.20 -0.69 -0.01 0.00 1.12 0.00 0.00 29.99 30.61 3max n HIS 146 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3max s ALA 147 N -3.31 3.55 0.39 -1.41 0.00 -1.18 -4.38 121.76 115.42 3max s ALA 147 Ca 0.00 1.47 0.08 0.00 0.00 0.00 0.00 51.96 53.52 3max s ALA 147 Cb 0.12 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 3max s ALA 147 CO 0.80 -0.92 0.26 0.15 0.00 0.00 0.00 175.76 176.05 3max s LYS 148 N -1.95 2.44 0.20 0.00 -0.14 -0.51 -4.56 119.74 115.21 3max s LYS 148 Ca 0.52 -1.59 -0.14 0.00 -1.36 0.00 0.00 55.97 53.40 3max s LYS 148 Cb -0.44 -2.24 0.20 0.00 -1.68 0.00 0.00 37.83 33.67 3max s LYS 148 CO 0.59 -0.07 1.65 -0.22 -0.76 0.00 0.00 175.35 176.55 3max h LYS 149 N 1.28 0.03 0.00 1.68 3.64 -1.93 -3.13 116.57 118.13 3max h LYS 149 Ca -0.43 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.91 3max h LYS 149 Cb 1.26 -0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.97 3max h LYS 149 CO 0.62 0.02 -0.59 0.43 -2.27 0.00 0.00 179.45 177.66 3max n SER 150 N -5.35 1.53 -3.56 4.20 7.64 -1.26 -2.42 113.62 114.40 3max n SER 150 Ca 0.06 -3.29 -0.15 0.00 1.01 0.00 0.00 58.87 56.50 3max n SER 150 Cb 0.30 -0.45 -0.06 0.00 -1.01 0.00 0.00 64.21 62.99 3max n SER 150 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 3max s GLU 151 N -2.28 0.91 0.59 1.43 -1.05 -1.18 -4.61 118.70 112.51 3max s GLU 151 Ca 0.35 0.40 -0.16 0.00 -0.15 0.00 0.00 54.97 55.41 3max s GLU 151 Cb 0.35 0.43 -0.03 0.00 -0.44 0.00 0.00 34.13 34.44 3max s GLU 151 CO -0.08 -0.25 1.08 0.00 0.95 0.00 0.00 175.26 176.96 3max s ALA 152 N -0.80 2.67 -0.27 -0.84 0.00 -0.21 -1.43 121.76 120.88 3max s ALA 152 Ca -0.07 0.51 -0.23 0.00 0.00 0.00 0.00 51.96 52.18 3max s ALA 152 Cb -0.01 -3.27 0.08 0.00 0.00 0.00 0.00 23.12 19.92 3max s ALA 152 CO 0.06 -0.88 0.77 0.45 0.00 0.00 0.00 175.76 176.16 3max s SER 153 N -2.52 -0.74 -1.28 0.00 0.15 0.14 -4.69 113.70 104.76 3max s SER 153 Ca 0.66 1.34 -0.08 0.00 0.70 0.00 0.00 55.95 58.58 3max s SER 153 Cb -0.18 1.35 0.01 0.00 -1.71 0.00 0.00 66.02 65.48 3max s SER 153 CO 0.35 -0.23 1.01 0.61 1.20 0.00 0.00 173.24 176.19 3max n GLY 154 N 3.02 -0.43 2.92 9.45 0.00 -1.26 -0.93 105.19 117.96 3max n GLY 154 Ca -0.15 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3max n GLY 154 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3max n PHE 155 N -4.76 0.00 -4.09 1.61 3.72 -1.26 -4.93 117.46 107.76 3max n PHE 155 Ca -0.01 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.04 3max n PHE 155 Cb 0.56 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.01 3max n PHE 155 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3max n TYR 157 N 2.81 0.00 -5.00 0.00 4.02 -1.26 -0.69 117.16 117.05 3max n TYR 157 Ca -0.18 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.41 3max n TYR 157 Cb 0.53 -0.49 -0.17 0.00 -0.02 0.00 0.00 39.34 39.19 3max n TYR 157 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3max s VAL 158 N -2.25 1.85 -1.16 -0.72 1.01 -1.26 -4.59 120.40 113.28 3max s VAL 158 Ca -0.19 -0.89 -0.17 0.00 0.00 0.00 0.00 61.98 60.73 3max s VAL 158 Cb 0.07 -1.62 0.12 0.00 0.00 0.00 0.00 36.38 34.95 3max s VAL 158 CO 0.26 0.51 1.46 0.21 0.00 0.00 0.00 175.10 177.54 3max s ASN 159 N 0.49 6.86 0.58 3.32 3.84 -1.26 -4.76 114.94 124.01 3max s ASN 159 Ca -0.16 -2.49 0.27 0.00 0.21 0.00 0.00 52.86 50.69 3max s ASN 159 Cb -0.17 -2.47 1.59 0.00 -0.55 0.00 0.00 41.25 39.65 3max s ASN 159 CO 0.06 -1.01 2.08 -2.24 -2.79 0.00 0.00 177.10 173.20 3max h ASP 160 N 7.89 0.00 -0.01 -4.21 2.03 -1.93 -2.67 116.42 117.53 3max h ASP 160 Ca 0.31 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.60 3max h ASP 160 Cb 0.92 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.42 3max h ASP 160 CO 1.30 0.00 -0.02 0.40 -1.03 0.00 0.00 179.24 179.89 3max h ILE 161 N 0.00 1.43 -0.73 4.15 2.04 -1.86 -0.58 117.51 121.96 3max h ILE 161 Ca 0.11 -1.30 0.04 0.00 1.00 0.00 0.00 64.86 64.71 3max h ILE 161 Cb 0.57 2.28 -0.05 0.00 -0.74 0.00 0.00 36.82 38.89 3max h ILE 161 CO -0.00 0.34 0.45 0.58 0.00 0.00 0.00 178.15 179.52 3max h VAL 162 N -0.50 1.07 -0.62 1.67 2.07 -1.88 -0.26 116.25 117.80 3max h VAL 162 Ca 0.00 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 3max h VAL 162 Cb 0.57 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3max h VAL 162 CO 0.00 0.16 0.04 -0.07 0.02 0.00 0.00 177.57 177.72 3max h LEU 163 N 0.87 1.03 -0.58 2.57 3.38 -1.42 -0.13 115.31 121.03 3max h LEU 163 Ca 0.31 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3max h LEU 163 Cb 0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3max h LEU 163 CO -0.13 1.06 0.18 0.00 0.09 0.00 0.00 178.44 179.64 3max h ALA 164 N 1.05 0.76 -0.26 1.53 0.00 -0.69 -1.73 119.26 119.91 3max h ALA 164 Ca 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3max h ALA 164 Cb 0.51 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3max h ALA 164 CO 0.02 0.42 0.12 0.82 0.00 0.00 0.00 179.25 180.64 3max h ILE 165 N 0.82 1.16 -0.97 0.00 2.04 -0.67 -0.42 117.51 119.46 3max h ILE 165 Ca 0.19 -0.46 0.11 0.00 1.00 0.00 0.00 64.86 65.70 3max h ILE 165 Cb 0.28 0.98 -0.08 0.00 -0.74 0.00 0.00 36.82 37.26 3max h ILE 165 CO -0.01 0.16 0.60 -0.07 0.00 0.00 0.00 178.15 178.83 3max h LEU 166 N 0.28 0.89 -0.15 1.44 3.38 -0.92 0.21 115.31 120.44 3max h LEU 166 Ca 0.09 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3max h LEU 166 Cb 0.14 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3max h LEU 166 CO -0.01 0.48 0.05 -0.08 0.09 0.00 0.00 178.44 178.98 3max h GLU 167 N 0.97 0.23 -1.01 1.13 4.57 -0.78 -2.80 114.58 116.89 3max h GLU 167 Ca 0.47 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.65 3max h GLU 167 Cb 0.44 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.94 3max h GLU 167 CO -0.26 0.34 0.66 -0.07 -1.18 0.00 0.00 179.01 178.50 3max h LEU 168 N 0.07 1.09 -1.49 1.64 3.38 -0.01 -2.25 115.31 117.74 3max h LEU 168 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3max h LEU 168 Cb 0.20 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3max h LEU 168 CO -0.00 0.74 0.00 -0.07 0.09 0.00 0.00 178.44 179.19 3max h LEU 169 N 1.26 0.00 -1.19 1.67 3.38 -0.36 0.52 115.31 120.58 3max h LEU 169 Ca 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.38 3max h LEU 169 Cb 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3max h LEU 169 CO -0.14 0.00 0.47 0.11 0.09 0.00 0.00 178.44 178.98 3max h LYS 170 N 0.00 1.02 0.00 1.13 1.57 -1.29 -3.34 116.57 115.66 3max h LYS 170 Ca 0.00 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3max h LYS 170 Cb 0.08 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.17 3max h LYS 170 CO 0.00 0.70 -0.90 0.66 -0.57 0.00 0.00 179.45 179.34 3max n TYR 171 N -4.40 0.00 -4.47 -1.35 4.01 -0.16 -4.99 117.16 105.80 3max n TYR 171 Ca 0.08 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.49 3max n TYR 171 Cb 0.05 -0.08 -0.15 0.00 -0.31 0.00 0.00 39.34 38.85 3max n TYR 171 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 3max s HIS 172 N -2.07 2.77 0.19 -0.72 3.76 -0.01 -5.02 115.29 114.20 3max s HIS 172 Ca -0.01 -1.14 -0.08 0.00 -0.15 0.00 0.00 55.06 53.68 3max s HIS 172 Cb 0.04 -1.89 0.10 0.00 1.11 0.00 0.00 32.58 31.93 3max s HIS 172 CO 0.22 -0.53 1.67 0.37 -0.85 0.00 0.00 174.74 175.61 3max h GLN 173 N 7.42 1.09 -4.45 1.40 5.75 -1.88 -3.39 115.11 121.04 3max h GLN 173 Ca -0.34 -0.32 -0.55 0.00 -0.15 0.00 0.00 58.65 57.29 3max h GLN 173 Cb 1.18 -0.11 -0.36 0.00 1.07 0.00 0.00 27.48 29.26 3max h GLN 173 CO 0.58 1.03 -0.82 1.03 -2.65 0.00 0.00 178.83 178.00 3max s ARG 174 N -5.10 1.82 -0.12 1.69 0.52 -1.26 -4.64 118.95 111.87 3max s ARG 174 Ca -0.12 -0.39 0.01 0.00 -0.52 0.00 0.00 55.73 54.72 3max s ARG 174 Cb 0.14 -1.71 -0.01 0.00 0.52 0.00 0.00 34.95 33.89 3max s ARG 174 CO 0.85 -0.18 -0.17 0.08 0.02 0.00 0.00 175.30 175.90 3max s VAL 175 N 1.38 2.71 -0.20 3.52 1.01 0.01 -1.51 120.40 127.32 3max s VAL 175 Ca 0.00 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.09 3max s VAL 175 Cb -0.13 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 3max s VAL 175 CO -0.06 0.54 0.13 -0.22 0.00 0.00 0.00 175.10 175.49 3max s LEU 176 N 0.32 4.20 -0.14 3.92 2.96 -0.64 -1.83 118.68 127.48 3max s LEU 176 Ca -0.13 0.23 -0.00 0.00 -0.22 0.00 0.00 54.13 54.00 3max s LEU 176 Cb -0.16 -2.10 -0.01 0.00 0.50 0.00 0.00 46.19 44.42 3max s LEU 176 CO 0.07 0.17 -0.13 -0.47 -1.32 0.00 0.00 176.35 174.67 3max s TYR 177 N 0.41 2.81 -0.05 5.38 5.04 -0.14 0.08 117.35 130.88 3max s TYR 177 Ca 0.08 -0.74 0.04 0.00 -2.44 0.00 0.00 57.07 54.01 3max s TYR 177 Cb -0.11 -1.87 -0.00 0.00 0.35 0.00 0.00 41.96 40.33 3max s TYR 177 CO -0.01 -0.28 -0.17 0.42 -1.34 0.00 0.00 175.55 174.16 3max s ILE 178 N 0.51 1.41 -0.21 3.14 1.01 0.35 -0.89 121.20 126.51 3max s ILE 178 Ca -0.09 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 59.84 3max s ILE 178 Cb -0.16 -1.22 0.06 0.00 0.01 0.00 0.00 42.46 41.16 3max s ILE 178 CO 0.04 0.41 0.03 -0.62 0.00 0.00 0.00 174.94 174.79 3max s ASP 179 N 0.10 3.15 0.00 3.58 -1.08 0.10 -0.68 116.67 121.84 3max s ASP 179 Ca -0.05 -0.94 0.16 0.00 -0.52 0.00 0.00 52.55 51.19 3max s ASP 179 Cb -0.12 -0.71 0.41 0.00 -1.46 0.00 0.00 42.92 41.04 3max s ASP 179 CO 0.02 -0.30 1.33 2.30 0.52 0.00 0.00 175.17 179.04 3max n ILE 180 N 4.98 0.88 -1.69 4.11 -5.35 -0.73 -2.02 119.36 119.54 3max n ILE 180 Ca -0.09 -0.94 -0.38 0.00 -0.27 0.00 0.00 62.75 61.07 3max n ILE 180 Cb 0.46 0.60 0.06 0.00 -1.74 0.00 0.00 39.64 39.02 3max n ILE 180 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3max n ASP 181 N 0.97 1.74 0.29 7.28 2.03 -1.25 -4.60 116.55 123.02 3max n ASP 181 Ca 0.16 0.86 0.18 0.00 0.52 0.00 0.00 54.79 56.51 3max n ASP 181 Cb 0.49 -1.50 0.85 0.00 -0.72 0.00 0.00 41.12 40.25 3max n ASP 181 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 3max h ILE 182 N 0.76 0.09 -3.13 5.18 2.10 -1.82 -3.41 117.51 117.27 3max h ILE 182 Ca -0.50 -0.38 -0.53 0.00 1.08 0.00 0.00 64.86 64.53 3max h ILE 182 Cb 1.34 1.34 -0.02 0.00 -1.09 0.00 0.00 36.82 38.40 3max h ILE 182 CO 0.53 0.02 -0.20 -1.00 -1.08 0.00 0.00 178.15 176.43 3max s HIS 183 N -3.88 3.47 0.26 2.19 3.76 -1.26 -0.97 115.29 118.86 3max s HIS 183 Ca -0.01 0.58 -0.30 0.00 -0.15 0.00 0.00 55.06 55.18 3max s HIS 183 Cb 0.11 -2.05 -0.10 0.00 1.11 0.00 0.00 32.58 31.64 3max s HIS 183 CO 0.51 0.25 1.49 -1.58 -0.85 0.00 0.00 174.74 174.57 3max s HIS 184 N -1.97 2.93 -1.43 1.40 2.46 -1.26 -4.80 115.29 112.62 3max s HIS 184 Ca 0.43 0.94 -0.14 0.00 0.47 0.00 0.00 55.06 56.75 3max s HIS 184 Cb -0.11 -3.90 0.05 0.00 -0.13 0.00 0.00 32.58 28.49 3max s HIS 184 CO 0.28 -2.99 2.15 0.41 -2.47 0.00 0.00 174.74 172.12 3max n GLY 185 N 2.21 4.17 0.26 1.59 0.00 -1.26 -4.76 105.19 107.40 3max n GLY 185 Ca 0.07 -1.59 -0.11 0.00 0.00 0.00 0.00 46.02 44.39 3max n GLY 185 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3max h ASP 186 N 6.22 0.87 -0.09 1.61 -0.00 -1.91 -2.02 116.42 121.11 3max h ASP 186 Ca 0.55 -0.39 -0.09 0.00 -0.00 0.00 0.00 57.03 57.09 3max h ASP 186 Cb 0.67 -0.25 -0.01 0.00 -0.00 0.00 0.00 39.33 39.74 3max h ASP 186 CO 1.82 1.15 -0.24 1.23 -0.00 0.00 0.00 179.24 183.20 3max h GLY 187 N 0.88 0.55 0.85 7.15 0.00 -1.24 -0.18 103.07 111.08 3max h GLY 187 Ca 0.06 -0.45 -0.17 0.00 0.00 0.00 0.00 47.33 46.77 3max h GLY 187 CO 0.09 0.41 -0.66 -2.08 0.00 0.00 0.00 176.54 174.29 3max h VAL 188 N 0.45 1.41 -0.30 4.60 2.07 -1.50 -2.65 116.25 120.33 3max h VAL 188 Ca 0.07 -2.10 0.02 0.00 0.82 0.00 0.00 66.70 65.51 3max h VAL 188 Cb 0.66 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 3max h VAL 188 CO 0.05 0.62 0.15 -0.08 0.02 0.00 0.00 177.57 178.33 3max h GLU 189 N -0.03 0.31 -0.77 1.57 4.81 -1.17 -2.67 114.58 116.64 3max h GLU 189 Ca -0.08 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3max h GLU 189 Cb 1.37 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.63 3max h GLU 189 CO 0.13 0.21 0.50 1.49 -0.73 0.00 0.00 179.01 180.61 3max h GLU 190 N 0.32 0.98 -0.87 1.92 4.81 -1.08 0.11 114.58 120.76 3max h GLU 190 Ca 0.13 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3max h GLU 190 Cb 0.04 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.15 3max h GLU 190 CO -0.08 0.65 0.57 0.00 -0.73 0.00 0.00 179.01 179.42 3max h ALA 191 N 1.30 1.39 -0.27 2.92 0.00 -1.21 -3.14 119.26 120.25 3max h ALA 191 Ca 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3max h ALA 191 Cb -0.07 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.38 3max h ALA 191 CO -0.08 0.56 0.00 1.19 0.00 0.00 0.00 179.25 180.92 3max n PHE 192 N -4.41 0.81 0.14 0.00 3.01 -0.99 -4.75 117.46 111.27 3max n PHE 192 Ca 0.10 -0.80 0.04 0.00 1.01 0.00 0.00 57.45 57.80 3max n PHE 192 Cb 0.03 -0.25 0.45 0.00 -0.01 0.00 0.00 39.48 39.70 3max n PHE 192 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 3max h TYR 193 N 1.79 0.22 -0.53 1.38 5.03 -0.75 -2.75 116.97 121.37 3max h TYR 193 Ca 0.00 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.30 3max h TYR 193 Cb 1.28 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 39.49 3max h TYR 193 CO 0.43 0.28 0.00 0.25 -1.32 0.00 0.00 178.16 177.80 3max n THR 194 N -4.35 1.76 -4.68 1.81 -2.24 -1.26 -2.01 114.28 103.31 3max n THR 194 Ca -0.01 -1.28 -0.28 0.00 -2.27 0.00 0.00 64.05 60.21 3max n THR 194 Cb 0.21 0.13 -0.14 0.00 -2.10 0.00 0.00 70.33 68.43 3max n THR 194 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3max s THR 195 N -1.85 2.00 -2.45 4.28 -1.32 -1.04 -2.81 115.64 112.45 3max s THR 195 Ca 0.45 -1.42 0.26 0.00 -1.21 0.00 0.00 61.69 59.76 3max s THR 195 Cb 0.29 -1.73 0.52 0.00 -1.51 0.00 0.00 72.50 70.06 3max s THR 195 CO 0.20 0.23 1.68 -0.90 -2.21 0.00 0.00 174.62 173.62 3max n ASP 196 N 1.57 1.60 0.01 8.08 5.68 -1.24 -4.13 116.55 128.11 3max n ASP 196 Ca -0.17 -1.57 0.13 0.00 -0.50 0.00 0.00 54.79 52.68 3max n ASP 196 Cb 0.53 -0.03 0.47 0.00 -1.14 0.00 0.00 41.12 40.95 3max n ASP 196 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3max n ARG 197 N 0.26 0.02 -3.91 0.11 1.74 -1.26 -4.62 116.66 109.00 3max n ARG 197 Ca 0.18 0.01 -0.21 0.00 -0.77 0.00 0.00 57.85 57.06 3max n ARG 197 Cb 0.36 -1.52 -0.17 0.00 -1.02 0.00 0.00 32.46 30.10 3max n ARG 197 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3max s VAL 198 N -3.01 0.39 -0.21 1.55 1.01 -1.26 -0.81 120.40 118.06 3max s VAL 198 Ca 0.13 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.06 3max s VAL 198 Cb 0.18 -0.50 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 3max s VAL 198 CO 0.60 0.23 0.11 -0.32 0.00 0.00 0.00 175.10 175.72 3max s MET 199 N 1.52 4.05 -0.15 2.72 1.75 -0.76 -4.83 119.30 123.59 3max s MET 199 Ca -0.02 -0.29 -0.04 0.00 -1.25 0.00 0.00 55.69 54.09 3max s MET 199 Cb -0.13 -3.38 -0.03 0.00 2.84 0.00 0.00 34.83 34.13 3max s MET 199 CO -0.03 0.19 -0.04 0.95 -0.65 0.00 0.00 175.02 175.44 3max s THR 200 N 0.65 3.92 -0.23 10.11 -4.23 -0.70 -0.97 115.64 124.19 3max s THR 200 Ca 0.06 -0.35 0.01 0.00 -1.18 0.00 0.00 61.69 60.23 3max s THR 200 Cb -0.12 -2.71 0.06 0.00 1.34 0.00 0.00 72.50 71.06 3max s THR 200 CO 0.01 0.49 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.83 3max s VAL 201 N 0.34 1.54 -0.08 2.29 1.01 -0.07 0.00 120.40 125.43 3max s VAL 201 Ca -0.04 -1.17 0.04 0.00 0.00 0.00 0.00 61.98 60.81 3max s VAL 201 Cb -0.14 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 3max s VAL 201 CO 0.03 -0.05 -0.22 -0.55 0.00 0.00 0.00 175.10 174.31 3max s SER 202 N 1.40 3.28 -0.15 3.32 0.15 -0.55 -0.72 113.70 120.44 3max s SER 202 Ca -0.05 -0.48 -0.04 0.00 0.70 0.00 0.00 55.95 56.08 3max s SER 202 Cb -0.18 -1.15 -0.03 0.00 -1.71 0.00 0.00 66.02 62.94 3max s SER 202 CO -0.06 0.21 -0.02 -0.36 1.20 0.00 0.00 173.24 174.21 3max s PHE 203 N 0.05 3.08 -0.02 3.44 0.40 -0.86 -0.01 117.98 124.06 3max s PHE 203 Ca -0.09 -0.16 -0.29 0.00 -0.60 0.00 0.00 56.93 55.80 3max s PHE 203 Cb -0.15 -1.94 0.10 0.00 0.51 0.00 0.00 43.02 41.53 3max s PHE 203 CO 0.06 0.08 0.83 -3.38 0.70 0.00 0.00 175.22 173.50 3max s HIS 204 N 0.14 -0.45 0.29 0.36 -3.43 -0.90 -4.53 115.29 106.78 3max s HIS 204 Ca -0.00 0.51 -0.29 0.00 -0.80 0.00 0.00 55.06 54.48 3max s HIS 204 Cb -0.13 0.50 -0.10 0.00 -1.43 0.00 0.00 32.58 31.41 3max s HIS 204 CO 0.02 -0.56 1.37 0.21 -2.00 0.00 0.00 174.74 173.78 3max s LYS 205 N -2.36 4.31 -0.00 -0.38 2.20 -0.14 -0.29 119.74 123.07 3max s LYS 205 Ca -0.00 2.25 0.01 0.00 -0.36 0.00 0.00 55.97 57.86 3max s LYS 205 Cb -0.01 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.22 3max s LYS 205 CO -0.03 -0.30 -0.02 -0.47 -0.36 0.00 0.00 175.35 174.17 3max s TYR 206 N -0.55 0.19 0.00 4.03 6.14 -0.36 -4.67 117.35 122.13 3max s TYR 206 Ca 0.54 -0.03 0.00 0.00 0.64 0.00 0.00 57.07 58.22 3max s TYR 206 Cb -0.40 -0.14 0.00 0.00 0.42 0.00 0.00 41.96 41.84 3max s TYR 206 CO 0.48 -0.01 0.00 0.41 0.64 0.00 0.00 175.55 177.07 3max n GLY 207 N 3.10 0.89 3.96 8.97 0.00 -1.26 -4.72 105.19 116.13 3max n GLY 207 Ca -0.13 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 3max n GLY 207 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3max n GLU 208 N 0.00 -2.27 -4.19 1.61 1.02 -1.26 -4.97 120.64 110.58 3max n GLU 208 Ca 0.00 0.34 -0.17 0.00 -0.02 0.00 0.00 57.16 57.32 3max n GLU 208 Cb 0.00 -4.12 -0.13 0.00 -0.02 0.00 0.00 31.44 27.17 3max n GLU 208 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3max s TYR 209 N -3.87 0.89 0.39 -0.32 6.14 -1.26 -5.05 117.35 114.28 3max s TYR 209 Ca 0.15 -0.38 -0.27 0.00 0.64 0.00 0.00 57.07 57.21 3max s TYR 209 Cb -0.06 -0.53 -0.11 0.00 0.42 0.00 0.00 41.96 41.68 3max s TYR 209 CO 0.91 -0.01 1.36 0.34 0.64 0.00 0.00 175.55 178.79 3max n PHE 210 N 1.84 2.51 1.52 4.97 -0.00 -1.26 -0.89 117.46 126.15 3max n PHE 210 Ca -0.19 0.49 0.14 0.00 -0.00 0.00 0.00 57.45 57.89 3max n PHE 210 Cb 0.55 -2.44 0.55 0.00 -0.00 0.00 0.00 39.48 38.14 3max n PHE 210 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3max n PRO 211 N 0.24 1.58 0.00 -7.13 -0.04 -1.26 -4.45 135.00 123.94 3max n PRO 211 Ca 0.04 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.62 3max n PRO 211 Cb 0.39 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 3max n PRO 211 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3max n GLY 212 N 1.17 0.45 0.83 0.55 0.00 -0.07 -5.08 105.19 103.05 3max n GLY 212 Ca 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.16 3max n GLY 212 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3max n THR 213 N -1.64 0.00 -1.71 2.61 -2.24 -1.26 -4.83 114.28 105.21 3max n THR 213 Ca 0.00 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3max n THR 213 Cb 0.00 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 3max n THR 213 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3max n GLY 214 N 3.54 0.74 3.76 3.38 0.00 -1.26 -4.82 105.19 110.54 3max n GLY 214 Ca 0.00 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 3max n GLY 214 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3max s ASP 215 N -2.81 5.91 0.41 1.61 -1.08 -1.26 -4.45 116.67 115.00 3max s ASP 215 Ca 0.00 2.43 0.20 0.00 -0.52 0.00 0.00 52.55 54.66 3max s ASP 215 Cb 0.00 -2.61 1.15 0.00 -1.46 0.00 0.00 42.92 40.00 3max s ASP 215 CO 0.00 -1.11 1.78 0.25 0.52 0.00 0.00 175.17 176.61 3max h LEU 216 N 1.86 0.40 0.00 -1.34 5.85 -1.97 -1.58 115.31 118.53 3max h LEU 216 Ca -0.50 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3max h LEU 216 Cb 1.26 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.30 3max h LEU 216 CO 0.59 0.08 0.00 0.54 -0.34 0.00 0.00 178.44 179.31 3max n ARG 217 N -4.58 0.29 -2.64 1.25 1.74 -1.26 -4.58 116.66 106.88 3max n ARG 217 Ca 0.25 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.92 3max n ARG 217 Cb 0.90 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.81 3max n ARG 217 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3max s ASP 218 N -2.70 6.19 0.00 0.55 -0.00 -0.60 -4.82 116.67 115.29 3max s ASP 218 Ca 0.24 -0.66 0.06 0.00 -0.00 0.00 0.00 52.55 52.18 3max s ASP 218 Cb 0.20 -2.52 0.11 0.00 -0.00 0.00 0.00 42.92 40.71 3max s ASP 218 CO 0.48 -1.71 0.94 2.30 -0.00 0.00 0.00 175.17 177.18 3max n ILE 219 N 6.27 0.57 0.00 0.77 -5.35 -1.26 -4.50 119.36 115.86 3max n ILE 219 Ca 0.03 -0.79 0.00 0.00 -0.27 0.00 0.00 62.75 61.72 3max n ILE 219 Cb 0.48 0.76 0.00 0.00 -1.74 0.00 0.00 39.64 39.15 3max n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3max n GLY 220 N 0.15 1.44 3.09 3.28 0.00 -1.26 -0.21 105.19 111.68 3max n GLY 220 Ca 0.05 -2.11 -0.10 0.00 0.00 0.00 0.00 46.02 43.86 3max n GLY 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3max s ALA 221 N -1.68 -0.12 0.00 4.61 0.00 -0.85 -4.43 121.76 119.29 3max s ALA 221 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.54 3max s ALA 221 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.30 3max s ALA 221 CO 0.00 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.92 3max n GLY 222 N 1.13 2.61 0.29 0.00 0.00 -1.26 -0.62 105.19 107.34 3max n GLY 222 Ca -0.21 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 45.62 3max n GLY 222 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3max h LYS 223 N 0.00 0.00 -0.14 1.61 1.57 -1.93 -2.55 116.57 115.13 3max h LYS 223 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3max h LYS 223 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3max h LYS 223 CO 0.00 0.04 0.00 0.41 -0.57 0.00 0.00 179.45 179.33 3max n GLY 224 N -1.09 0.00 3.71 3.86 0.00 0.21 -3.73 105.19 108.15 3max n GLY 224 Ca -0.03 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 3max n GLY 224 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3max s LYS 225 N -1.82 4.19 0.00 1.61 2.20 -0.96 -0.85 119.74 124.11 3max s LYS 225 Ca 0.30 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.33 3max s LYS 225 Cb 0.16 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 3max s LYS 225 CO 0.24 -0.68 0.00 0.66 -0.36 0.00 0.00 175.35 175.21 3max n TYR 226 N 4.43 0.00 0.16 4.03 4.01 0.70 -4.92 117.16 125.58 3max n TYR 226 Ca 0.15 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.99 3max n TYR 226 Cb 0.38 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 39.61 3max n TYR 226 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3max n TYR 227 N -2.08 0.50 -5.02 -0.72 4.02 -0.03 -4.83 117.16 109.00 3max n TYR 227 Ca 0.00 -0.29 -0.32 0.00 -0.01 0.00 0.00 57.90 57.27 3max n TYR 227 Cb 0.00 -0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.16 3max n TYR 227 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3max s ALA 228 N -1.28 2.41 -0.08 -0.72 0.00 -0.95 -1.72 121.76 119.42 3max s ALA 228 Ca 0.34 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.36 3max s ALA 228 Cb 0.20 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.38 3max s ALA 228 CO 0.27 0.34 -0.12 0.08 0.00 0.00 0.00 175.76 176.34 3max s VAL 229 N 0.08 1.16 -0.07 0.00 1.01 0.10 -4.29 120.40 118.39 3max s VAL 229 Ca -0.08 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3max s VAL 229 Cb -0.15 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.16 3max s VAL 229 CO 0.05 0.37 -0.09 0.20 0.00 0.00 0.00 175.10 175.63 3max s ASN 230 N 0.94 1.65 -0.48 3.32 0.01 -1.26 -1.48 114.94 117.63 3max s ASN 230 Ca -0.09 -0.25 -0.01 0.00 -0.71 0.00 0.00 52.86 51.80 3max s ASN 230 Cb -0.15 -0.73 0.13 0.00 0.41 0.00 0.00 41.25 40.91 3max s ASN 230 CO 0.00 -0.02 0.26 0.12 -1.51 0.00 0.00 177.10 175.95 3max s PHE 231 N 0.94 3.51 0.13 2.20 5.99 0.99 -4.39 117.98 127.35 3max s PHE 231 Ca -0.10 -2.70 -0.30 0.00 0.00 0.00 0.00 56.93 53.83 3max s PHE 231 Cb -0.15 -3.12 -0.07 0.00 0.00 0.00 0.00 43.02 39.68 3max s PHE 231 CO 0.01 -0.90 1.15 -1.25 -0.00 0.00 0.00 175.22 174.23 3max s PRO 232 N 0.56 4.51 0.19 10.12 0.04 -1.26 -2.12 135.00 147.04 3max s PRO 232 Ca 0.12 1.76 0.07 0.00 0.04 0.00 0.00 61.00 63.00 3max s PRO 232 Cb -0.22 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 30.98 3max s PRO 232 CO -0.04 -0.08 -0.14 -1.64 0.04 0.00 0.00 177.00 175.13 3max s MET 233 N 0.21 1.27 0.37 4.56 -1.94 0.60 -4.90 119.30 119.47 3max s MET 233 Ca 0.54 -1.53 0.07 0.00 -1.71 0.00 0.00 55.69 53.06 3max s MET 233 Cb -0.30 -1.07 -0.00 0.00 2.01 0.00 0.00 34.83 35.47 3max s MET 233 CO 0.33 0.18 0.50 1.03 -0.01 0.00 0.00 175.02 177.05 3max s ARG 234 N -3.49 2.95 0.48 2.03 1.81 -1.26 -1.23 118.95 120.24 3max s ARG 234 Ca 0.20 -1.14 -0.21 0.00 -1.72 0.00 0.00 55.73 52.86 3max s ARG 234 Cb -0.01 -2.76 -0.11 0.00 -0.45 0.00 0.00 34.95 31.61 3max s ARG 234 CO 0.06 -0.09 0.52 -0.25 -0.68 0.00 0.00 175.30 174.86 3max n ASP 235 N -1.71 -1.00 0.00 0.23 8.00 -1.26 -3.85 116.55 116.95 3max n ASP 235 Ca 0.03 0.84 0.00 0.00 0.71 0.00 0.00 54.79 56.37 3max n ASP 235 Cb 0.59 -1.13 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 3max n ASP 235 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3max n GLY 236 N 1.80 0.60 3.69 0.44 0.00 0.59 -1.03 105.19 111.28 3max n GLY 236 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3max n GLY 236 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3max n ILE 237 N -2.79 3.17 -4.67 -0.61 3.06 -1.25 -4.01 119.36 112.26 3max n ILE 237 Ca 0.00 -0.50 -0.31 0.00 -2.50 0.00 0.00 62.75 59.44 3max n ILE 237 Cb 0.00 -1.49 -0.09 0.00 0.54 0.00 0.00 39.64 38.60 3max n ILE 237 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 3max s ASP 238 N -0.80 4.04 0.17 9.51 1.47 -1.26 0.01 116.67 129.81 3max s ASP 238 Ca 0.67 -1.51 -0.15 0.00 1.18 0.00 0.00 52.55 52.74 3max s ASP 238 Cb -0.47 0.10 0.12 0.00 -0.34 0.00 0.00 42.92 42.33 3max s ASP 238 CO 0.53 -0.68 1.71 0.44 0.68 0.00 0.00 175.17 177.85 3max h ASP 239 N 1.52 -0.11 -0.15 2.11 3.32 -1.95 -1.28 116.42 119.90 3max h ASP 239 Ca -0.44 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.68 3max h ASP 239 Cb 1.28 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.97 3max h ASP 239 CO 0.77 -0.02 0.03 -0.08 -1.72 0.00 0.00 179.24 178.22 3max h GLU 240 N 0.14 0.24 -0.43 3.56 4.81 -1.96 -0.44 114.58 120.49 3max h GLU 240 Ca 0.20 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3max h GLU 240 Cb 0.27 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3max h GLU 240 CO -0.31 0.40 0.27 0.77 -0.73 0.00 0.00 179.01 179.41 3max h SER 241 N 0.04 0.51 -0.07 1.04 0.02 -1.93 -2.02 113.55 111.13 3max h SER 241 Ca 0.05 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3max h SER 241 Cb 0.27 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 3max h SER 241 CO 0.00 0.41 0.01 0.22 -1.14 0.00 0.00 176.83 176.32 3max h TYR 242 N 0.57 0.13 -0.92 3.45 3.20 -1.16 -2.98 116.97 119.27 3max h TYR 242 Ca 0.16 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.02 3max h TYR 242 Cb -0.02 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.17 3max h TYR 242 CO -0.04 0.36 0.61 0.78 -1.64 0.00 0.00 178.16 178.24 3max h GLY 243 N -0.13 1.29 2.00 1.82 0.00 -1.03 0.15 103.07 107.17 3max h GLY 243 Ca 0.02 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 3max h GLY 243 CO 0.00 0.46 -0.02 1.46 0.00 0.00 0.00 176.54 178.45 3max h GLN 244 N 1.23 0.00 0.05 4.80 4.20 -1.33 -3.10 115.11 120.96 3max h GLN 244 Ca 0.34 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.70 3max h GLN 244 Cb -0.12 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.62 3max h GLN 244 CO -0.08 0.02 -1.98 -0.89 -0.67 0.00 0.00 178.83 175.23 3max n ILE 245 N -3.13 1.63 -0.00 2.54 -0.00 -0.69 -4.54 119.36 115.16 3max n ILE 245 Ca -0.01 -0.45 -0.12 0.00 -0.00 0.00 0.00 62.75 62.18 3max n ILE 245 Cb 0.23 -1.77 -0.07 0.00 -0.00 0.00 0.00 39.64 38.03 3max n ILE 245 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.55 176.70 3max h PHE 246 N -0.35 0.09 -0.24 1.39 3.04 -0.66 -2.46 116.94 117.75 3max h PHE 246 Ca -0.47 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 61.41 3max h PHE 246 Cb 1.77 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 40.25 3max h PHE 246 CO 0.05 0.25 -0.07 -0.22 -2.02 0.00 0.00 178.31 176.30 3max h LYS 247 N -0.08 0.48 -0.57 1.11 3.64 -1.82 -0.26 116.57 119.06 3max h LYS 247 Ca 0.02 -0.19 0.03 0.00 -1.27 0.00 0.00 60.65 59.23 3max h LYS 247 Cb 0.19 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 3max h LYS 247 CO -0.00 0.71 0.35 -1.35 -2.27 0.00 0.00 179.45 176.89 3max h PRO 248 N 0.22 0.67 -0.09 1.90 0.11 -1.80 0.82 132.00 133.83 3max h PRO 248 Ca 0.06 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 3max h PRO 248 Cb 0.55 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 3max h PRO 248 CO 0.03 0.44 0.04 0.82 -0.21 0.00 0.00 178.00 179.12 3max h ILE 249 N 0.69 1.13 -0.50 4.15 1.08 -1.25 -1.72 117.51 121.09 3max h ILE 249 Ca 0.23 -0.39 -0.05 0.00 -0.39 0.00 0.00 64.86 64.26 3max h ILE 249 Cb 0.02 1.23 -0.02 0.00 -3.07 0.00 0.00 36.82 34.97 3max h ILE 249 CO -0.10 0.12 0.13 0.40 -0.69 0.00 0.00 178.15 178.01 3max h ILE 250 N 0.01 1.24 -0.61 -0.67 1.08 -0.96 -0.14 117.51 117.45 3max h ILE 250 Ca 0.03 -0.82 0.05 0.00 -0.39 0.00 0.00 64.86 63.74 3max h ILE 250 Cb 0.15 0.82 -0.05 0.00 -3.07 0.00 0.00 36.82 34.67 3max h ILE 250 CO -0.00 0.30 0.32 0.28 -0.69 0.00 0.00 178.15 178.36 3max h SER 251 N 0.68 0.47 -0.57 1.72 0.02 -0.79 0.54 113.55 115.62 3max h SER 251 Ca 0.16 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 3max h SER 251 Cb 0.31 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 3max h SER 251 CO -0.00 0.31 0.03 0.50 -1.14 0.00 0.00 176.83 176.53 3max h LYS 252 N 0.61 1.01 -0.41 3.45 1.63 -0.99 -1.18 116.57 120.68 3max h LYS 252 Ca 0.27 -0.29 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 3max h LYS 252 Cb 0.17 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 3max h LYS 252 CO -0.18 0.97 0.20 0.28 -3.45 0.00 0.00 179.45 177.28 3max h VAL 253 N 0.94 1.17 -0.45 2.00 2.07 -0.58 -1.35 116.25 120.05 3max h VAL 253 Ca 0.18 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3max h VAL 253 Cb 0.50 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3max h VAL 253 CO 0.02 0.19 0.23 0.24 0.02 0.00 0.00 177.57 178.27 3max h MET 254 N 0.52 0.63 -0.57 1.57 2.86 -0.61 0.88 114.93 120.22 3max h MET 254 Ca 0.14 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 3max h MET 254 Cb 0.11 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 3max h MET 254 CO -0.02 0.53 0.23 1.49 1.06 0.00 0.00 176.91 180.20 3max h GLU 255 N 0.58 0.85 0.20 1.72 4.81 -1.10 0.77 114.58 122.41 3max h GLU 255 Ca 0.15 -0.15 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 3max h GLU 255 Cb 0.09 -0.14 0.02 0.00 0.63 0.00 0.00 28.75 29.35 3max h GLU 255 CO -0.02 0.73 -1.55 0.52 -0.73 0.00 0.00 179.01 177.95 3max h MET 256 N 0.78 0.43 0.00 1.92 2.86 -1.01 -3.38 114.93 116.53 3max h MET 256 Ca 0.19 -0.73 -0.33 0.00 -2.06 0.00 0.00 59.70 56.77 3max h MET 256 Cb 0.19 0.27 -0.06 0.00 0.06 0.00 0.00 31.60 32.06 3max h MET 256 CO -0.02 1.34 -2.06 0.98 1.06 0.00 0.00 176.91 178.20 3max n TYR 257 N -3.62 0.48 -3.74 -0.22 -0.00 0.28 -5.01 117.16 105.34 3max n TYR 257 Ca -0.18 0.17 -0.28 0.00 -0.00 0.00 0.00 57.90 57.61 3max n TYR 257 Cb 1.08 -1.09 0.01 0.00 -0.00 0.00 0.00 39.34 39.35 3max n TYR 257 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 3max n GLN 258 N -2.89 -1.15 -1.59 2.98 6.02 0.26 -4.94 117.38 116.07 3max n GLN 258 Ca -0.25 0.64 -0.31 0.00 -0.01 0.00 0.00 57.00 57.07 3max n GLN 258 Cb 1.11 -3.20 0.06 0.00 1.02 0.00 0.00 30.24 29.23 3max n GLN 258 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3max s PRO 259 N -5.47 2.67 0.00 -1.09 0.04 -1.26 -4.90 135.00 124.99 3max s PRO 259 Ca 0.22 0.82 0.16 0.00 0.04 0.00 0.00 61.00 62.23 3max s PRO 259 Cb -0.10 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 3max s PRO 259 CO 0.89 -1.25 0.77 -1.13 0.04 0.00 0.00 177.00 176.32 3max n SER 260 N -3.21 1.25 -3.79 6.66 3.41 -0.57 -4.99 113.62 112.38 3max n SER 260 Ca 0.07 -1.12 -0.11 0.00 -0.26 0.00 0.00 58.87 57.45 3max n SER 260 Cb 0.55 0.70 -0.08 0.00 -0.26 0.00 0.00 64.21 65.11 3max n SER 260 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3max s ALA 261 N -2.14 -0.58 -0.02 7.33 0.00 -1.23 -4.29 121.76 120.82 3max s ALA 261 Ca 0.10 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.03 3max s ALA 261 Cb 0.12 0.28 -0.00 0.00 0.00 0.00 0.00 23.12 23.52 3max s ALA 261 CO 0.50 -0.38 -0.10 0.08 0.00 0.00 0.00 175.76 175.86 3max s VAL 262 N -2.43 0.87 -0.16 0.00 1.01 -0.45 -1.61 120.40 117.62 3max s VAL 262 Ca -0.06 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 3max s VAL 262 Cb -0.01 -0.75 -0.00 0.00 0.00 0.00 0.00 36.38 35.61 3max s VAL 262 CO -0.03 0.26 -0.14 -0.69 0.00 0.00 0.00 175.10 174.50 3max s VAL 263 N -0.01 2.78 -0.23 2.92 1.01 0.11 -0.94 120.40 126.04 3max s VAL 263 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3max s VAL 263 Cb -0.07 -2.18 0.04 0.00 0.00 0.00 0.00 36.38 34.17 3max s VAL 263 CO 0.00 0.51 -0.13 -0.22 0.00 0.00 0.00 175.10 175.26 3max s LEU 264 N 0.82 2.92 -0.27 3.92 2.96 0.65 -0.50 118.68 129.18 3max s LEU 264 Ca -0.05 -1.02 -0.20 0.00 -0.22 0.00 0.00 54.13 52.65 3max s LEU 264 Cb -0.15 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 3max s LEU 264 CO 0.00 -0.11 0.62 -1.58 -1.32 0.00 0.00 176.35 173.97 3max s GLN 265 N 1.22 4.05 -0.58 1.98 -0.44 0.14 -0.73 119.66 125.31 3max s GLN 265 Ca -0.02 0.47 0.02 0.00 -2.50 0.00 0.00 55.36 53.33 3max s GLN 265 Cb -0.17 -3.67 0.42 0.00 -1.64 0.00 0.00 33.01 27.95 3max s GLN 265 CO -0.08 -0.45 1.63 0.00 0.50 0.00 0.00 175.29 176.89 3max n GLY 267 N -0.68 0.98 0.79 0.00 0.00 -1.23 -4.63 105.19 100.42 3max n GLY 267 Ca 0.51 0.68 0.09 0.00 0.00 0.00 0.00 46.02 47.30 3max n GLY 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3max n ALA 268 N 3.36 2.46 1.12 4.61 0.00 0.35 -3.84 120.51 128.57 3max n ALA 268 Ca 0.18 -0.73 0.11 0.00 0.00 0.00 0.00 53.44 52.99 3max n ALA 268 Cb 0.26 -0.99 0.58 0.00 0.00 0.00 0.00 19.45 19.30 3max n ALA 268 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3max n ASP 269 N 0.75 0.00 -0.28 0.00 3.85 -1.19 -2.18 116.55 117.50 3max n ASP 269 Ca 0.16 -0.17 0.12 0.00 -0.71 0.00 0.00 54.79 54.19 3max n ASP 269 Cb 0.40 -0.23 0.56 0.00 -1.35 0.00 0.00 41.12 40.50 3max n ASP 269 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3max n SER 270 N -1.23 0.86 -4.83 -1.12 3.41 -1.25 -4.23 113.62 105.24 3max n SER 270 Ca 0.12 -1.45 -0.33 0.00 -0.26 0.00 0.00 58.87 56.95 3max n SER 270 Cb 0.16 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.01 3max n SER 270 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3max s LEU 271 N -1.74 3.92 0.17 1.04 1.43 -0.93 -3.72 118.68 118.85 3max s LEU 271 Ca 0.35 1.63 -0.33 0.00 -1.03 0.00 0.00 54.13 54.75 3max s LEU 271 Cb 0.18 -4.49 -0.15 0.00 0.03 0.00 0.00 46.19 41.76 3max s LEU 271 CO 0.28 -0.37 1.32 -0.24 0.23 0.00 0.00 176.35 177.57 3max n SER 272 N -0.71 1.99 0.00 2.29 2.88 0.13 -2.46 113.62 117.74 3max n SER 272 Ca 0.07 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 3max n SER 272 Cb 0.54 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 3max n SER 272 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3max n GLY 273 N 2.35 0.66 3.74 0.46 0.00 -1.26 -4.94 105.19 106.20 3max n GLY 273 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3max n GLY 273 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3max s ASP 274 N -2.14 6.81 0.39 1.61 2.15 -1.03 -4.76 116.67 119.69 3max s ASP 274 Ca 0.00 2.52 0.16 0.00 0.43 0.00 0.00 52.55 55.66 3max s ASP 274 Cb 0.00 -2.62 1.03 0.00 -0.30 0.00 0.00 42.92 41.03 3max s ASP 274 CO 0.00 -0.58 1.80 0.03 -0.17 0.00 0.00 175.17 176.24 3max h ARG 275 N 5.04 0.45 0.00 4.34 3.08 -1.93 -3.11 114.38 122.25 3max h ARG 275 Ca -0.46 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3max h ARG 275 Cb 1.22 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3max h ARG 275 CO 0.76 0.30 -1.19 1.28 -1.07 0.00 0.00 179.97 180.05 3max n LEU 276 N -4.62 0.02 -4.99 3.04 4.77 -1.26 -5.05 117.00 108.91 3max n LEU 276 Ca 0.23 -0.03 -0.19 0.00 -0.03 0.00 0.00 56.01 55.99 3max n LEU 276 Cb 0.77 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.88 3max n LEU 276 CO 0.26 0.00 0.25 -0.83 -1.33 0.00 0.00 177.39 175.75 3max s GLY 277 N -2.58 1.86 -0.11 -0.72 0.00 -1.18 -5.05 107.32 99.54 3max s GLY 277 Ca -0.02 -1.48 0.20 0.00 0.00 0.00 0.00 44.72 43.42 3max s GLY 277 CO 0.24 -1.25 1.18 0.00 0.00 0.00 0.00 173.10 173.27 3max s PHE 279 N -1.60 2.61 -0.28 0.00 2.99 -1.26 -0.30 117.98 120.13 3max s PHE 279 Ca 0.36 -0.30 0.17 0.00 0.00 0.00 0.00 56.93 57.16 3max s PHE 279 Cb 0.38 -2.53 0.49 0.00 0.00 0.00 0.00 43.02 41.36 3max s PHE 279 CO -0.11 -0.73 1.11 -1.71 -0.00 0.00 0.00 175.22 173.78 3max n ASN 280 N -2.12 2.64 -4.80 1.36 5.15 0.10 -3.57 115.26 114.03 3max n ASN 280 Ca 0.09 -2.66 -0.36 0.00 -0.60 0.00 0.00 54.58 51.05 3max n ASN 280 Cb 0.60 -0.45 -0.06 0.00 -0.53 0.00 0.00 39.78 39.34 3max n ASN 280 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3max s LEU 281 N -3.66 4.31 0.62 1.20 1.43 -1.23 -4.25 118.68 117.10 3max s LEU 281 Ca 0.35 1.64 0.03 0.00 -1.03 0.00 0.00 54.13 55.12 3max s LEU 281 Cb 0.36 -3.87 0.09 0.00 0.03 0.00 0.00 46.19 42.80 3max s LEU 281 CO -0.02 -0.05 0.86 0.42 0.23 0.00 0.00 176.35 177.80 3max s THR 282 N -1.62 2.31 0.29 5.49 -4.23 -1.26 0.17 115.64 116.79 3max s THR 282 Ca 0.48 -0.75 -0.01 0.00 -1.18 0.00 0.00 61.69 60.23 3max s THR 282 Cb -0.17 -2.56 0.19 0.00 1.34 0.00 0.00 72.50 71.30 3max s THR 282 CO 0.22 0.00 1.88 0.58 -0.54 0.00 0.00 174.62 176.75 3max h VAL 283 N -0.13 1.22 -0.71 2.29 2.07 -1.94 -1.69 116.25 117.37 3max h VAL 283 Ca -0.36 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 3max h VAL 283 Cb 1.28 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 3max h VAL 283 CO 0.43 0.27 0.24 0.11 0.02 0.00 0.00 177.57 178.64 3max h LYS 284 N 0.90 1.09 -0.68 1.57 1.57 -1.94 -0.19 116.57 118.89 3max h LYS 284 Ca 0.22 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 3max h LYS 284 Cb 0.15 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 3max h LYS 284 CO -0.02 0.92 0.12 0.78 -0.57 0.00 0.00 179.45 180.68 3max h GLY 285 N 1.03 1.20 0.59 3.86 0.00 -1.83 -0.46 103.07 107.47 3max h GLY 285 Ca 0.23 -0.79 -0.02 0.00 0.00 0.00 0.00 47.33 46.74 3max h GLY 285 CO -0.01 0.73 -0.06 0.84 0.00 0.00 0.00 176.54 178.04 3max h HIS 286 N 1.04 0.17 0.00 5.60 -0.00 -1.20 -3.25 115.15 117.51 3max h HIS 286 Ca 0.21 -0.05 -0.04 0.00 -0.00 0.00 0.00 60.37 60.48 3max h HIS 286 Cb 0.43 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.80 3max h HIS 286 CO 0.03 0.60 -0.20 0.00 -0.00 0.00 0.00 177.93 178.37 3max h ALA 287 N 0.54 1.27 -0.97 5.26 0.00 -0.93 -1.89 119.26 122.55 3max h ALA 287 Ca 0.01 -0.18 0.22 0.00 0.00 0.00 0.00 54.91 54.96 3max h ALA 287 Cb 0.58 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 3max h ALA 287 CO 0.01 0.24 0.63 -0.22 0.00 0.00 0.00 179.25 179.92 3max h LYS 288 N 0.00 0.44 -0.90 0.00 1.63 -1.11 -0.53 116.57 116.10 3max h LYS 288 Ca -0.00 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 3max h LYS 288 Cb 0.48 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.97 3max h LYS 288 CO 0.03 0.29 0.50 0.00 -3.45 0.00 0.00 179.45 176.82 3max h VAL 290 N 1.25 1.18 -0.54 0.00 2.07 -1.25 -2.10 116.25 116.86 3max h VAL 290 Ca 0.32 -0.52 0.09 0.00 0.82 0.00 0.00 66.70 67.41 3max h VAL 290 Cb 0.01 1.53 -0.08 0.00 -1.52 0.00 0.00 31.29 31.23 3max h VAL 290 CO -0.05 0.14 0.11 -0.33 0.02 0.00 0.00 177.57 177.45 3max h GLU 291 N -0.22 0.24 0.02 1.57 5.08 -0.99 -1.05 114.58 119.23 3max h GLU 291 Ca 0.00 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3max h GLU 291 Cb 0.22 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3max h GLU 291 CO -0.00 0.16 -0.09 0.28 -1.00 0.00 0.00 179.01 178.36 3max h VAL 292 N 0.25 0.78 -0.60 3.13 2.07 -1.00 -2.77 116.25 118.11 3max h VAL 292 Ca 0.27 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.82 3max h VAL 292 Cb 0.38 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 3max h VAL 292 CO -0.35 0.00 0.38 0.58 0.02 0.00 0.00 177.57 178.19 3max h VAL 293 N -0.16 1.09 -0.40 2.57 2.07 -0.91 -1.91 116.25 118.59 3max h VAL 293 Ca 0.03 -0.26 0.12 0.00 0.82 0.00 0.00 66.70 67.41 3max h VAL 293 Cb 0.20 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 3max h VAL 293 CO -0.08 0.14 0.29 0.11 0.02 0.00 0.00 177.57 178.05 3max h LYS 294 N 0.74 0.00 0.00 1.57 1.57 -1.02 -2.58 116.57 116.86 3max h LYS 294 Ca 0.24 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3max h LYS 294 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3max h LYS 294 CO -0.09 0.00 -0.02 1.79 -0.57 0.00 0.00 179.45 180.55 3max h THR 295 N 0.00 0.19 0.00 -0.16 1.35 -1.06 -1.61 112.91 111.61 3max h THR 295 Ca 0.19 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3max h THR 295 Cb 0.77 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 3max h THR 295 CO -0.00 0.02 0.00 0.49 -0.25 0.00 0.00 175.52 175.78 3max n PHE 296 N -3.30 0.00 -3.31 4.73 3.72 -0.97 -4.94 117.46 113.39 3max n PHE 296 Ca -0.02 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.14 3max n PHE 296 Cb 0.15 -0.45 0.05 0.00 -0.94 0.00 0.00 39.48 38.29 3max n PHE 296 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3max n ASN 297 N -1.45 -6.13 -4.73 4.37 3.02 -0.61 -5.01 115.26 104.73 3max n ASN 297 Ca 0.09 -0.41 -0.31 0.00 -0.03 0.00 0.00 54.58 53.92 3max n ASN 297 Cb 0.30 -4.90 -0.07 0.00 -0.61 0.00 0.00 39.78 34.50 3max n ASN 297 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3max s LEU 298 N -6.97 3.64 0.06 3.41 1.43 -1.26 -5.06 118.68 113.92 3max s LEU 298 Ca 0.44 -0.08 -0.36 0.00 -1.03 0.00 0.00 54.13 53.10 3max s LEU 298 Cb -0.20 -2.31 -0.16 0.00 0.03 0.00 0.00 46.19 43.55 3max s LEU 298 CO 0.54 0.19 1.47 -2.65 0.23 0.00 0.00 176.35 176.13 3max n PRO 299 N 0.61 1.48 -4.16 1.29 -0.02 -1.26 -4.79 135.00 128.15 3max n PRO 299 Ca -0.10 0.53 -0.22 0.00 -2.02 0.00 0.00 63.50 61.69 3max n PRO 299 Cb 0.52 -2.23 -0.17 0.00 -0.02 0.00 0.00 33.50 31.61 3max n PRO 299 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3max s LEU 300 N 1.08 1.27 -0.27 2.45 2.96 -0.47 -1.35 118.68 124.36 3max s LEU 300 Ca 0.85 -0.18 -0.07 0.00 -0.22 0.00 0.00 54.13 54.51 3max s LEU 300 Cb -0.88 -0.58 -0.01 0.00 0.50 0.00 0.00 46.19 45.22 3max s LEU 300 CO 0.46 -0.06 0.07 -0.22 -1.32 0.00 0.00 176.35 175.28 3max s LEU 301 N 1.12 3.56 -0.20 -0.68 2.96 -0.12 -1.83 118.68 123.51 3max s LEU 301 Ca -0.07 -0.39 -0.07 0.00 -0.22 0.00 0.00 54.13 53.37 3max s LEU 301 Cb -0.14 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 3max s LEU 301 CO -0.01 -0.09 0.05 -0.04 -1.32 0.00 0.00 176.35 174.93 3max s MET 302 N 1.57 3.84 0.24 1.98 -1.94 -0.24 -0.25 119.30 124.50 3max s MET 302 Ca 0.05 -0.41 0.09 0.00 -1.71 0.00 0.00 55.69 53.72 3max s MET 302 Cb -0.16 -3.19 -0.05 0.00 2.01 0.00 0.00 34.83 33.44 3max s MET 302 CO 0.03 0.15 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.52 3max s LEU 303 N 0.70 2.57 0.00 -0.03 1.43 0.10 -1.13 118.68 122.31 3max s LEU 303 Ca 0.02 -1.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.09 3max s LEU 303 Cb -0.13 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.24 3max s LEU 303 CO 0.02 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.11 3max n GLY 304 N -0.49 -0.17 0.00 -3.19 0.00 -0.90 -1.11 105.19 99.33 3max n GLY 304 Ca -0.07 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3max n GLY 304 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3max n GLY 305 N 3.83 -0.24 3.50 -0.02 0.00 -1.00 -3.12 105.19 108.15 3max n GLY 305 Ca 0.00 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 3max n GLY 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3max n GLY 306 N 0.00 -2.27 0.00 -0.02 0.00 -1.26 -4.72 105.19 96.92 3max n GLY 306 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3max n GLY 306 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3max n GLY 307 N -4.04 3.41 0.00 -0.02 0.00 -1.26 -0.50 105.19 102.78 3max n GLY 307 Ca 0.15 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3max n GLY 307 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3max n TYR 308 N 0.00 0.00 -3.42 1.61 4.02 -1.26 -4.76 117.16 113.34 3max n TYR 308 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.45 3max n TYR 308 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.27 3max n TYR 308 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3max s THR 309 N -0.70 5.00 0.38 -0.72 2.01 -1.26 -4.54 115.64 115.81 3max s THR 309 Ca 0.00 -2.22 0.14 0.00 0.31 0.00 0.00 61.69 59.92 3max s THR 309 Cb 0.00 -4.16 0.12 0.00 0.01 0.00 0.00 72.50 68.47 3max s THR 309 CO 0.00 -0.93 1.87 0.16 -0.69 0.00 0.00 174.62 175.03 3max h ILE 310 N 5.33 1.18 -0.49 1.82 3.07 -1.97 -0.40 117.51 126.04 3max h ILE 310 Ca -0.06 -1.13 0.03 0.00 1.55 0.00 0.00 64.86 65.26 3max h ILE 310 Cb 1.05 1.62 -0.03 0.00 -0.27 0.00 0.00 36.82 39.19 3max h ILE 310 CO 0.83 0.32 0.33 0.08 -1.05 0.00 0.00 178.15 178.65 3max h ARG 311 N 0.00 0.53 0.14 0.16 0.11 -1.93 -1.38 114.38 112.00 3max h ARG 311 Ca -0.00 -0.03 -0.28 0.00 0.10 0.00 0.00 59.98 59.77 3max h ARG 311 Cb 0.59 -0.12 0.01 0.00 1.11 0.00 0.00 29.97 31.56 3max h ARG 311 CO 0.04 0.35 -1.25 -0.91 0.10 0.00 0.00 179.97 178.30 3max h ASN 312 N 0.55 0.48 0.09 0.08 2.35 -1.48 -2.43 115.58 115.22 3max h ASN 312 Ca 0.20 -0.51 0.02 0.00 -0.55 0.00 0.00 56.30 55.46 3max h ASN 312 Cb 0.12 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 3max h ASN 312 CO -0.05 1.39 -0.19 0.58 -1.65 0.00 0.00 177.43 177.50 3max h VAL 313 N 0.09 0.56 -0.58 2.81 2.07 -1.18 -0.19 116.25 119.83 3max h VAL 313 Ca -0.14 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.44 3max h VAL 313 Cb 1.97 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 32.24 3max h VAL 313 CO 0.21 0.00 0.27 0.00 0.02 0.00 0.00 177.57 178.07 3max h ALA 314 N 0.46 0.75 -0.35 1.67 0.00 -1.27 -1.93 119.26 118.59 3max h ALA 314 Ca 0.03 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3max h ALA 314 Cb 0.39 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3max h ALA 314 CO -0.12 -0.10 0.21 0.00 0.00 0.00 0.00 179.25 179.24 3max h ARG 315 N 0.51 0.42 -0.18 0.00 3.08 -1.28 -2.09 114.38 114.83 3max h ARG 315 Ca 0.27 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 3max h ARG 315 Cb 0.24 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3max h ARG 315 CO -0.22 0.27 0.05 0.00 -1.07 0.00 0.00 179.97 179.01 3max h TRP 317 N 0.11 0.00 0.19 0.00 6.55 -1.40 -0.45 115.95 120.94 3max h TRP 317 Ca 0.06 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.89 3max h TRP 317 Cb 0.25 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.55 3max h TRP 317 CO 0.01 0.63 -0.09 1.15 -1.05 0.00 0.00 178.44 179.09 3max h THR 318 N 0.00 0.89 -0.60 1.49 2.02 -1.33 -1.07 112.91 114.31 3max h THR 318 Ca -0.01 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 3max h THR 318 Cb 1.37 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 68.86 3max h THR 318 CO 0.08 0.08 0.34 0.22 0.37 0.00 0.00 175.52 176.62 3max h TYR 319 N -0.43 0.82 0.00 3.16 3.20 -1.19 -1.62 116.97 120.91 3max h TYR 319 Ca -0.03 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 3max h TYR 319 Cb 0.33 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 3max h TYR 319 CO -0.01 0.58 -0.16 0.93 -1.64 0.00 0.00 178.16 177.86 3max h GLU 320 N 0.81 0.00 -0.23 1.82 5.08 -1.08 0.14 114.58 121.12 3max h GLU 320 Ca 0.21 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.41 3max h GLU 320 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3max h GLU 320 CO -0.04 0.16 -0.48 1.15 -1.00 0.00 0.00 179.01 178.81 3max h THR 321 N 0.00 1.30 -0.67 1.13 2.02 -0.59 -1.97 112.91 114.14 3max h THR 321 Ca -0.00 -1.69 -0.00 0.00 0.77 0.00 0.00 66.41 65.49 3max h THR 321 Cb 0.37 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 3max h THR 321 CO 0.02 0.54 0.41 0.00 0.37 0.00 0.00 175.52 176.86 3max h ALA 322 N 0.63 0.86 -0.05 6.16 0.00 -0.32 -1.54 119.26 124.99 3max h ALA 322 Ca 0.01 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3max h ALA 322 Cb 1.09 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3max h ALA 322 CO 0.11 0.32 -0.12 0.28 0.00 0.00 0.00 179.25 179.84 3max h VAL 323 N 0.92 0.68 -1.00 0.00 2.07 -0.73 0.11 116.25 118.29 3max h VAL 323 Ca 0.24 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.93 3max h VAL 323 Cb -0.04 0.68 -0.10 0.00 -1.52 0.00 0.00 31.29 30.31 3max h VAL 323 CO -0.05 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.16 3max h ALA 324 N 0.82 1.64 -0.04 1.67 0.00 -1.07 0.12 119.26 122.40 3max h ALA 324 Ca 0.06 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3max h ALA 324 Cb 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3max h ALA 324 CO -0.16 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.41 3max n LEU 325 N -4.69 0.47 -3.85 0.00 4.77 -0.60 -4.89 117.00 108.21 3max n LEU 325 Ca 0.21 -0.19 -0.28 0.00 -0.03 0.00 0.00 56.01 55.72 3max n LEU 325 Cb 0.49 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.59 3max n LEU 325 CO 0.24 0.10 0.12 -0.67 -1.33 0.00 0.00 177.39 175.84 3max n ASP 326 N -0.49 -4.75 -4.34 -1.43 4.64 0.03 -4.97 116.55 105.24 3max n ASP 326 Ca 0.15 -0.74 -0.32 0.00 -1.38 0.00 0.00 54.79 52.50 3max n ASP 326 Cb 0.14 -4.09 -0.15 0.00 -1.04 0.00 0.00 41.12 35.98 3max n ASP 326 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3max s GLU 328 N -0.36 3.57 0.09 0.00 0.41 -1.26 -3.98 118.70 117.16 3max s GLU 328 Ca 0.03 -0.19 0.05 0.00 -0.41 0.00 0.00 54.97 54.45 3max s GLU 328 Cb -0.12 -2.90 -0.03 0.00 -1.78 0.00 0.00 34.13 29.29 3max s GLU 328 CO 0.02 0.51 -0.14 0.96 -0.49 0.00 0.00 175.26 176.12 3max s ILE 329 N -1.62 1.16 0.56 -1.63 -4.36 -1.26 -5.11 121.20 108.94 3max s ILE 329 Ca 0.39 -1.43 -0.19 0.00 -0.26 0.00 0.00 60.65 59.16 3max s ILE 329 Cb -0.12 -1.21 -0.05 0.00 1.25 0.00 0.00 42.46 42.33 3max s ILE 329 CO 0.26 -0.29 1.18 -2.16 0.24 0.00 0.00 174.94 174.17 3max s PRO 330 N -2.03 3.17 0.37 0.37 0.04 -1.26 -4.93 135.00 130.73 3max s PRO 330 Ca 0.01 1.76 0.07 0.00 0.04 0.00 0.00 61.00 62.88 3max s PRO 330 Cb -0.08 -2.00 0.71 0.00 0.04 0.00 0.00 34.50 33.17 3max s PRO 330 CO 0.02 -1.03 1.90 -0.97 0.04 0.00 0.00 177.00 176.96 3max h ASN 331 N 1.10 0.34 -2.50 6.66 -1.24 -2.00 -3.42 115.58 114.52 3max h ASN 331 Ca -0.50 -0.07 -0.57 0.00 0.71 0.00 0.00 56.30 55.87 3max h ASN 331 Cb 1.28 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 40.23 3max h ASN 331 CO 0.56 0.46 1.28 -0.70 -1.29 0.00 0.00 177.43 177.74 3max s GLU 332 N -4.83 3.51 0.31 6.67 2.56 -1.26 -0.08 118.70 125.58 3max s GLU 332 Ca -0.06 1.78 -0.29 0.00 0.00 0.00 0.00 54.97 56.39 3max s GLU 332 Cb 0.15 -4.19 -0.10 0.00 2.00 0.00 0.00 34.13 31.99 3max s GLU 332 CO 0.75 -1.65 1.42 -0.51 -0.56 0.00 0.00 175.26 174.70 3max s LEU 333 N 6.47 4.38 0.68 2.70 1.43 -0.91 -4.88 118.68 128.55 3max s LEU 333 Ca 0.83 2.78 -0.12 0.00 -1.03 0.00 0.00 54.13 56.59 3max s LEU 333 Cb -0.28 -3.64 0.01 0.00 0.03 0.00 0.00 46.19 42.30 3max s LEU 333 CO 0.34 -0.70 1.07 -2.16 0.23 0.00 0.00 176.35 175.13 3max s PRO 334 N -1.25 2.87 0.57 1.29 0.04 -1.26 -4.98 135.00 132.28 3max s PRO 334 Ca 0.55 1.10 -0.20 0.00 0.04 0.00 0.00 61.00 62.48 3max s PRO 334 Cb -0.43 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.09 3max s PRO 334 CO 0.51 -1.16 1.11 0.98 0.04 0.00 0.00 177.00 178.48 3max n TYR 335 N -2.89 1.37 -3.82 0.56 4.19 -1.26 -4.96 117.16 110.34 3max n TYR 335 Ca 0.08 0.45 -0.06 0.00 3.31 0.00 0.00 57.90 61.68 3max n TYR 335 Cb 0.53 -2.22 -0.02 0.00 0.49 0.00 0.00 39.34 38.12 3max n TYR 335 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 3max s ASN 336 N -1.10 -0.23 0.47 2.98 2.20 -1.26 -4.85 114.94 113.15 3max s ASN 336 Ca 0.74 -0.54 0.32 0.00 -0.94 0.00 0.00 52.86 52.44 3max s ASN 336 Cb -0.43 0.65 1.62 0.00 -2.00 0.00 0.00 41.25 41.09 3max s ASN 336 CO 0.48 -1.20 1.98 0.44 -2.94 0.00 0.00 177.10 175.86 3max h ASP 337 N 2.00 0.00 0.00 3.54 3.32 -1.94 -2.62 116.42 120.72 3max h ASP 337 Ca -0.21 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 3max h ASP 337 Cb 1.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 3max h ASP 337 CO 0.24 0.00 -0.45 -1.22 -1.72 0.00 0.00 179.24 176.09 3max n TYR 338 N -2.69 0.00 -0.26 4.55 4.02 -1.26 -4.88 117.16 116.64 3max n TYR 338 Ca -0.01 -1.34 0.07 0.00 -0.01 0.00 0.00 57.90 56.61 3max n TYR 338 Cb 0.12 -0.22 0.20 0.00 -0.02 0.00 0.00 39.34 39.42 3max n TYR 338 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 3max h PHE 339 N 0.82 0.36 -0.06 -0.72 3.04 -1.84 -0.17 116.94 118.37 3max h PHE 339 Ca -0.01 0.04 0.02 0.00 3.98 0.00 0.00 57.97 62.00 3max h PHE 339 Cb 1.06 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 39.52 3max h PHE 339 CO 0.59 -0.06 0.09 1.05 -2.02 0.00 0.00 178.31 177.95 3max h GLU 340 N 0.31 0.00 0.00 1.11 9.09 -1.90 -1.82 114.58 121.38 3max h GLU 340 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.85 3max h GLU 340 Cb 0.75 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.85 3max h GLU 340 CO -0.50 0.00 0.00 1.88 0.05 0.00 0.00 179.01 180.44 3max h TYR 341 N 0.00 0.00 -0.47 2.06 -1.99 -1.43 -2.96 116.97 112.19 3max h TYR 341 Ca 0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.76 3max h TYR 341 Cb 0.20 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.93 3max h TYR 341 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 178.16 179.35 3max n PHE 342 N -2.89 0.61 -0.74 4.88 3.01 -0.68 -4.81 117.46 116.84 3max n PHE 342 Ca 0.01 -0.31 -0.29 0.00 1.01 0.00 0.00 57.45 57.87 3max n PHE 342 Cb 0.30 0.00 0.21 0.00 -0.01 0.00 0.00 39.48 39.98 3max n PHE 342 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3max s GLY 343 N -1.23 1.59 0.00 1.37 0.00 -1.12 -1.37 107.32 106.56 3max s GLY 343 Ca 0.38 0.02 0.27 0.00 0.00 0.00 0.00 44.72 45.39 3max s GLY 343 CO 0.28 0.63 1.69 -1.55 0.00 0.00 0.00 173.10 174.15 3max n PRO 344 N -4.55 0.16 -0.03 2.90 -0.04 -1.26 -4.72 135.00 127.46 3max n PRO 344 Ca 0.06 -0.06 -0.05 0.00 -0.04 0.00 0.00 63.50 63.40 3max n PRO 344 Cb 0.54 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 3max n PRO 344 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3max n ASP 345 N -1.36 0.52 -3.94 3.54 5.75 -1.24 -5.00 116.55 114.82 3max n ASP 345 Ca 0.08 0.24 -0.29 0.00 -0.01 0.00 0.00 54.79 54.81 3max n ASP 345 Cb 0.33 0.51 0.01 0.00 -1.03 0.00 0.00 41.12 40.93 3max n ASP 345 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3max n PHE 346 N -2.84 -2.06 -4.21 2.11 3.01 -0.47 -4.98 117.46 108.02 3max n PHE 346 Ca -0.19 0.86 -0.29 0.00 1.01 0.00 0.00 57.45 58.84 3max n PHE 346 Cb 0.99 -3.85 -0.09 0.00 -0.01 0.00 0.00 39.48 36.51 3max n PHE 346 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3max s LYS 347 N -6.55 2.22 0.06 -1.08 -0.14 -1.26 -2.14 119.74 110.85 3max s LYS 347 Ca 0.48 -1.04 -0.21 0.00 -1.36 0.00 0.00 55.97 53.84 3max s LYS 347 Cb -0.25 -2.33 -0.12 0.00 -1.68 0.00 0.00 37.83 33.45 3max s LYS 347 CO 0.85 0.49 1.46 1.25 -0.76 0.00 0.00 175.35 178.64 3max h LEU 348 N 3.35 0.30-10.10 3.17 5.85 -0.78 -3.46 115.31 113.64 3max h LEU 348 Ca -0.48 -0.35 -0.50 0.00 0.84 0.00 0.00 57.88 57.39 3max h LEU 348 Cb 1.18 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 3max h LEU 348 CO 0.54 0.58 0.03 -1.00 -0.34 0.00 0.00 178.44 178.26 3max s HIS 349 N -4.82 3.45 0.17 1.25 3.76 -1.26 -4.82 115.29 113.02 3max s HIS 349 Ca -0.14 0.96 0.11 0.00 -0.15 0.00 0.00 55.06 55.84 3max s HIS 349 Cb 0.06 -2.36 -0.04 0.00 1.11 0.00 0.00 32.58 31.34 3max s HIS 349 CO 0.73 0.03 -0.22 0.96 -0.85 0.00 0.00 174.74 175.38 3max s ILE 350 N -2.19 2.48 0.18 0.60 -4.36 -1.26 -5.05 121.20 111.61 3max s ILE 350 Ca 0.50 -1.87 -0.07 0.00 -0.26 0.00 0.00 60.65 58.94 3max s ILE 350 Cb -0.10 -2.17 -0.06 0.00 1.25 0.00 0.00 42.46 41.37 3max s ILE 350 CO 0.28 -0.05 0.46 -0.44 0.24 0.00 0.00 174.94 175.43 3max s SER 351 N -2.49 6.56 0.81 4.36 0.01 -1.26 -4.56 113.70 117.12 3max s SER 351 Ca 0.19 0.75 -0.11 0.00 1.31 0.00 0.00 55.95 58.09 3max s SER 351 Cb -0.09 -2.16 0.07 0.00 0.21 0.00 0.00 66.02 64.06 3max s SER 351 CO 0.10 -0.01 1.09 -2.16 0.41 0.00 0.00 173.24 172.67 3max s PRO 352 N -2.73 2.01 0.73 12.44 0.04 -1.26 -4.96 135.00 141.28 3max s PRO 352 Ca 0.44 0.78 -0.01 0.00 0.04 0.00 0.00 61.00 62.24 3max s PRO 352 Cb -0.12 -1.90 0.13 0.00 0.04 0.00 0.00 34.50 32.66 3max s PRO 352 CO 0.23 -1.70 1.01 -1.54 0.04 0.00 0.00 177.00 175.03 3max s SER 353 N -3.72 4.29 0.00 6.66 1.04 -1.26 -5.00 113.70 115.70 3max s SER 353 Ca 0.61 -0.34 0.16 0.00 0.48 0.00 0.00 55.95 56.85 3max s SER 353 Cb -0.15 -0.02 0.77 0.00 0.10 0.00 0.00 66.02 66.71 3max s SER 353 CO 0.55 -1.91 1.52 -0.46 0.98 0.00 0.00 173.24 173.92 3max n ASN 354 N -2.88 0.60 -4.68 7.02 6.94 -1.26 -4.95 115.26 116.05 3max n ASN 354 Ca 0.15 -1.64 -0.42 0.00 -0.02 0.00 0.00 54.58 52.65 3max n ASN 354 Cb 0.61 -0.05 -0.00 0.00 -2.36 0.00 0.00 39.78 37.98 3max n ASN 354 CO 0.00 0.00 0.00 1.15 -1.03 0.00 0.00 177.26 177.38 3max n MET 355 N -0.34 1.96 -2.07 -3.83 0.00 -1.26 -4.93 117.12 106.66 3max n MET 355 Ca 0.12 0.69 -0.42 0.00 0.00 0.00 0.00 57.70 58.10 3max n MET 355 Cb 0.14 -2.28 -0.03 0.00 0.00 0.00 0.00 33.22 31.05 3max n MET 355 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 3max s THR 356 N -1.13 2.85 -0.54 3.17 2.01 -1.26 -4.97 115.64 115.76 3max s THR 356 Ca 0.58 0.69 -0.27 0.00 0.31 0.00 0.00 61.69 62.99 3max s THR 356 Cb -0.56 -3.44 0.03 0.00 0.01 0.00 0.00 72.50 68.54 3max s THR 356 CO 0.61 0.10 1.11 0.21 -0.69 0.00 0.00 174.62 175.95 3max s ASN 357 N 0.53 6.47 0.09 3.53 2.47 -1.26 -4.16 114.94 122.61 3max s ASN 357 Ca 0.60 0.10 0.23 0.00 0.42 0.00 0.00 52.86 54.21 3max s ASN 357 Cb -0.40 -2.52 0.91 0.00 -1.45 0.00 0.00 41.25 37.78 3max s ASN 357 CO 0.39 -1.35 1.70 0.00 -3.72 0.00 0.00 177.10 174.13 3max n GLN 358 N 8.03 0.08 -2.85 0.43 6.02 -0.20 -4.55 117.38 124.34 3max n GLN 358 Ca 0.08 0.20 -0.43 0.00 -0.01 0.00 0.00 57.00 56.84 3max n GLN 358 Cb 0.49 -1.63 -0.04 0.00 1.02 0.00 0.00 30.24 30.09 3max n GLN 358 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3max s ASN 359 N -3.51 6.26 0.71 1.08 0.01 -1.26 -4.92 114.94 113.32 3max s ASN 359 Ca 0.09 -1.16 -0.13 0.00 -0.71 0.00 0.00 52.86 50.94 3max s ASN 359 Cb 0.13 -2.42 0.03 0.00 0.41 0.00 0.00 41.25 39.39 3max s ASN 359 CO 0.43 -1.40 1.12 0.42 -1.51 0.00 0.00 177.10 176.16 3max s THR 360 N 3.92 3.11 0.35 1.60 -4.23 -1.26 -4.84 115.64 114.29 3max s THR 360 Ca 0.25 0.46 0.05 0.00 -1.18 0.00 0.00 61.69 61.27 3max s THR 360 Cb -0.14 -2.95 0.29 0.00 1.34 0.00 0.00 72.50 71.04 3max s THR 360 CO 0.06 -0.37 1.94 -0.65 -0.54 0.00 0.00 174.62 175.06 3max h PRO 361 N -0.45 0.79 -0.48 3.99 0.11 -1.97 -1.89 132.00 132.11 3max h PRO 361 Ca -0.46 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 3max h PRO 361 Cb 1.25 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3max h PRO 361 CO 0.52 0.52 -0.20 0.93 -0.21 0.00 0.00 178.00 179.56 3max h GLU 362 N 0.81 0.96 -0.03 1.05 3.07 -1.99 -1.94 114.58 116.51 3max h GLU 362 Ca 0.35 -0.40 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3max h GLU 362 Cb 0.30 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.17 3max h GLU 362 CO -0.13 1.06 0.02 -0.92 -1.40 0.00 0.00 179.01 177.64 3max h TYR 363 N 0.83 0.05 -0.44 4.33 5.03 -1.80 -1.12 116.97 123.85 3max h TYR 363 Ca 0.11 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.47 3max h TYR 363 Cb 0.77 -0.01 -0.05 0.00 1.55 0.00 0.00 36.73 38.98 3max h TYR 363 CO 0.05 0.13 0.17 0.52 -1.32 0.00 0.00 178.16 177.71 3max h MET 364 N -0.06 0.33 -0.45 1.82 2.86 -1.22 -0.96 114.93 117.25 3max h MET 364 Ca 0.01 -0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.51 3max h MET 364 Cb 0.10 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 3max h MET 364 CO -0.00 0.22 -0.20 0.93 1.06 0.00 0.00 176.91 178.92 3max h GLU 365 N 0.34 0.93 -0.38 1.72 4.39 -1.29 -1.95 114.58 118.35 3max h GLU 365 Ca 0.20 -0.40 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 3max h GLU 365 Cb 0.18 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 3max h GLU 365 CO -0.19 1.06 0.18 -0.22 -1.16 0.00 0.00 179.01 178.67 3max h LYS 366 N 0.77 0.55 -0.35 2.33 1.63 -0.85 0.10 116.57 120.75 3max h LYS 366 Ca 0.10 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 3max h LYS 366 Cb 0.77 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.28 3max h LYS 366 CO 0.06 0.49 0.18 0.82 -3.45 0.00 0.00 179.45 177.55 3max h ILE 367 N 0.47 1.15 -0.73 2.00 1.08 -1.15 -1.65 117.51 118.68 3max h ILE 367 Ca 0.13 -0.41 0.03 0.00 -0.39 0.00 0.00 64.86 64.21 3max h ILE 367 Cb 0.13 0.79 -0.04 0.00 -3.07 0.00 0.00 36.82 34.62 3max h ILE 367 CO -0.02 0.16 0.46 0.50 -0.69 0.00 0.00 178.15 178.56 3max h LYS 368 N 0.43 0.88 -0.71 2.37 3.64 -1.13 -0.51 116.57 121.55 3max h LYS 368 Ca 0.12 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 3max h LYS 368 Cb 0.09 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 3max h LYS 368 CO -0.02 0.58 0.21 1.96 -2.27 0.00 0.00 179.45 179.91 3max h GLN 369 N 0.90 1.10 -0.81 1.90 4.20 -0.61 0.74 115.11 122.54 3max h GLN 369 Ca 0.29 -0.23 0.01 0.00 0.06 0.00 0.00 58.65 58.78 3max h GLN 369 Cb 0.01 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.59 3max h GLN 369 CO -0.11 0.94 0.53 0.00 -0.67 0.00 0.00 178.83 179.53 3max h ARG 370 N 1.05 1.06 -0.60 1.46 3.08 -0.74 -1.76 114.38 117.94 3max h ARG 370 Ca 0.23 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.15 3max h ARG 370 Cb 0.31 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3max h ARG 370 CO -0.01 0.70 0.11 -0.07 -1.07 0.00 0.00 179.97 179.64 3max h LEU 371 N 1.09 0.94 -1.12 3.04 3.38 -0.69 -2.46 115.31 119.50 3max h LEU 371 Ca 0.30 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3max h LEU 371 Cb -0.13 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.32 3max h LEU 371 CO -0.06 0.95 0.60 -0.26 0.09 0.00 0.00 178.44 179.76 3max h PHE 372 N 0.89 1.12 -0.66 1.13 -1.00 -0.64 -0.93 116.94 116.84 3max h PHE 372 Ca 0.18 0.03 0.02 0.00 2.81 0.00 0.00 57.97 61.01 3max h PHE 372 Cb 0.41 -0.37 -0.04 0.00 3.61 0.00 0.00 35.95 39.56 3max h PHE 372 CO 0.03 0.66 0.43 0.93 -1.61 0.00 0.00 178.31 178.75 3max h GLU 373 N 1.17 0.83 -0.66 1.51 5.08 -0.88 -1.89 114.58 119.74 3max h GLU 373 Ca 0.35 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.59 3max h GLU 373 Cb -0.02 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 3max h GLU 373 CO -0.10 0.55 0.12 -0.91 -1.00 0.00 0.00 179.01 177.67 3max h ASN 374 N 0.86 1.03 0.21 1.42 2.35 -1.02 -3.03 115.58 117.40 3max h ASN 374 Ca 0.25 -0.23 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 3max h ASN 374 Cb -0.05 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.04 3max h ASN 374 CO -0.08 1.01 -0.32 -0.07 -1.65 0.00 0.00 177.43 176.32 3max h LEU 375 N 1.01 0.17 -1.35 1.61 3.38 -0.76 -2.32 115.31 117.06 3max h LEU 375 Ca 0.20 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3max h LEU 375 Cb 0.41 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3max h LEU 375 CO 0.01 0.50 0.00 0.03 0.09 0.00 0.00 178.44 179.07 3max h ARG 376 N 0.15 0.00 0.00 1.13 3.08 -1.23 -2.68 114.38 114.84 3max h ARG 376 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3max h ARG 376 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3max h ARG 376 CO 0.05 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.62 3max n MET 377 N -2.64 0.18 0.00 0.04 2.81 -0.87 -5.13 117.12 111.52 3max n MET 377 Ca 0.00 0.10 0.14 0.00 -1.81 0.00 0.00 57.70 56.13 3max n MET 377 Cb 0.21 -1.50 0.81 0.00 -0.71 0.00 0.00 33.22 32.02 3max n MET 377 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76