#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a7b s SER 27 N 0.00 0.07 0.06 4.31 0.15 -1.26 -5.02 113.70 112.02 3a7b s SER 27 Ca 0.00 -0.80 -0.30 0.00 0.70 0.00 0.00 55.95 55.55 3a7b s SER 27 Cb 0.00 0.40 -0.05 0.00 -1.71 0.00 0.00 66.02 64.66 3a7b s SER 27 CO 0.00 -0.83 0.99 -0.22 1.20 0.00 0.00 173.24 174.38 3a7b s LEU 28 N -2.93 4.43 -0.48 3.45 2.96 -1.26 -4.88 118.68 119.97 3a7b s LEU 28 Ca 0.13 1.76 -0.08 0.00 -0.22 0.00 0.00 54.13 55.73 3a7b s LEU 28 Cb 0.04 -3.58 0.12 0.00 0.50 0.00 0.00 46.19 43.27 3a7b s LEU 28 CO -0.04 -0.19 0.34 -0.55 -1.32 0.00 0.00 176.35 174.59 3a7b s SER 29 N 0.51 5.61 -0.11 3.68 0.15 -1.02 -4.97 113.70 117.55 3a7b s SER 29 Ca 0.50 -2.03 0.01 0.00 0.70 0.00 0.00 55.95 55.12 3a7b s SER 29 Cb -0.23 -1.97 -0.02 0.00 -1.71 0.00 0.00 66.02 62.10 3a7b s SER 29 CO 0.29 -0.64 -0.14 0.00 1.20 0.00 0.00 173.24 173.96 3a7b n ASP 31 N 3.25 0.23 -0.35 0.00 3.85 -0.88 -4.98 116.55 117.66 3a7b n ASP 31 Ca -0.18 -1.26 0.11 0.00 -0.71 0.00 0.00 54.79 52.74 3a7b n ASP 31 Cb 0.53 -0.28 0.47 0.00 -1.35 0.00 0.00 41.12 40.49 3a7b n ASP 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3a7b n ALA 32 N -3.14 2.56 0.71 2.12 0.00 -1.26 -2.99 120.51 118.51 3a7b n ALA 32 Ca -0.06 -0.38 0.11 0.00 0.00 0.00 0.00 53.44 53.11 3a7b n ALA 32 Cb 0.19 -1.18 -0.05 0.00 0.00 0.00 0.00 19.45 18.42 3a7b n ALA 32 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3a7b n SER 33 N -0.09 0.67 0.00 0.00 7.64 -1.26 -4.94 113.62 115.64 3a7b n SER 33 Ca 0.16 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.52 3a7b n SER 33 Cb 0.24 1.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.45 3a7b n SER 33 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a7b n GLY 34 N 1.42 0.82 3.55 0.23 0.00 -1.16 -4.61 105.19 105.45 3a7b n GLY 34 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3a7b n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a7b s VAL 35 N -2.05 4.53 -0.13 1.61 1.01 -1.26 -0.02 120.40 124.10 3a7b s VAL 35 Ca 0.00 0.55 -0.05 0.00 0.00 0.00 0.00 61.98 62.48 3a7b s VAL 35 Cb 0.00 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 3a7b s VAL 35 CO 0.00 -0.83 0.07 0.00 0.00 0.00 0.00 175.10 174.34 3a7b s ASP 37 N -0.57 3.37 -0.09 0.00 2.15 -0.49 -2.70 116.67 118.33 3a7b s ASP 37 Ca 0.11 -0.77 0.13 0.00 0.43 0.00 0.00 52.55 52.45 3a7b s ASP 37 Cb -0.12 -1.50 0.22 0.00 -0.30 0.00 0.00 42.92 41.22 3a7b s ASP 37 CO 0.02 -0.03 1.11 0.61 -0.17 0.00 0.00 175.17 176.71 3a7b n GLY 38 N 4.59 3.51 3.59 2.66 0.00 -0.19 -2.45 105.19 116.90 3a7b n GLY 38 Ca -0.20 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 3a7b n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a7b n ARG 39 N -0.94 -0.59 -1.29 1.61 1.74 -0.95 -3.60 116.66 112.63 3a7b n ARG 39 Ca 0.11 -0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3a7b n ARG 39 Cb 0.67 -2.23 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 3a7b n ARG 39 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3a7b n SER 40 N -3.61 -0.31 -3.05 0.55 7.64 -0.68 -4.89 113.62 109.27 3a7b n SER 40 Ca 0.10 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.14 3a7b n SER 40 Cb 0.53 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 3a7b n SER 40 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3a7b n ARG 41 N -1.25 2.95 -2.58 1.43 3.00 -1.24 -4.96 116.66 114.01 3a7b n ARG 41 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.85 57.75 3a7b n ARG 41 Cb 0.16 0.00 0.04 0.00 0.00 0.00 0.00 32.46 32.65 3a7b n ARG 41 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 3a7b n SER 42 N 0.00 2.65 -4.74 0.55 7.64 -1.26 -4.76 113.62 113.69 3a7b n SER 42 Ca 0.00 -2.65 -0.42 0.00 1.01 0.00 0.00 58.87 56.81 3a7b n SER 42 Cb 0.00 -0.44 -0.02 0.00 -1.01 0.00 0.00 64.21 62.74 3a7b n SER 42 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3a7b s PHE 43 N -3.67 2.81 -2.35 1.43 2.99 -1.26 -4.75 117.98 113.18 3a7b s PHE 43 Ca 0.35 0.67 0.19 0.00 0.00 0.00 0.00 56.93 58.14 3a7b s PHE 43 Cb 0.36 -4.08 0.14 0.00 0.00 0.00 0.00 43.02 39.44 3a7b s PHE 43 CO -0.02 -3.75 1.10 0.25 -0.00 0.00 0.00 175.22 172.80 3a7b n THR 44 N 2.70 0.00 -3.51 0.64 -2.24 -1.26 -0.47 114.28 110.14 3a7b n THR 44 Ca 0.10 -0.48 -0.10 0.00 -2.27 0.00 0.00 64.05 61.30 3a7b n THR 44 Cb 0.37 1.38 -0.03 0.00 -2.10 0.00 0.00 70.33 69.95 3a7b n THR 44 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3a7b s SER 45 N -1.66 -0.41 0.13 3.42 1.04 -1.26 -3.85 113.70 111.11 3a7b s SER 45 Ca 0.22 0.14 -0.33 0.00 0.48 0.00 0.00 55.95 56.45 3a7b s SER 45 Cb 0.16 0.40 -0.13 0.00 0.10 0.00 0.00 66.02 66.55 3a7b s SER 45 CO 0.26 -0.59 1.67 -0.38 0.98 0.00 0.00 173.24 175.18 3a7b n ILE 46 N 0.04 0.13 -0.78 -1.02 2.08 -1.26 -4.91 119.36 113.63 3a7b n ILE 46 Ca -0.10 -0.02 -0.30 0.00 0.56 0.00 0.00 62.75 62.88 3a7b n ILE 46 Cb 0.61 -1.71 0.19 0.00 -0.75 0.00 0.00 39.64 37.97 3a7b n ILE 46 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3a7b s PRO 47 N 1.62 0.48 0.58 0.38 0.04 -1.26 -5.04 135.00 131.80 3a7b s PRO 47 Ca 0.81 1.15 0.04 0.00 0.04 0.00 0.00 61.00 63.04 3a7b s PRO 47 Cb -0.64 -1.69 0.11 0.00 0.04 0.00 0.00 34.50 32.32 3a7b s PRO 47 CO 0.39 -2.87 0.80 0.45 0.04 0.00 0.00 177.00 175.81 3a7b n SER 48 N -4.36 1.51 -0.05 6.66 2.88 -1.26 -4.63 113.62 114.37 3a7b n SER 48 Ca 0.08 -2.17 -0.01 0.00 -1.33 0.00 0.00 58.87 55.44 3a7b n SER 48 Cb 0.53 -0.48 -0.00 0.00 -0.75 0.00 0.00 64.21 63.52 3a7b n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3a7b n GLY 49 N -1.49 0.47 3.77 0.46 0.00 -1.26 -5.01 105.19 102.13 3a7b n GLY 49 Ca 0.14 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 3a7b n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a7b s LEU 50 N -0.14 4.40 0.53 0.99 1.43 -1.26 -5.01 118.68 119.61 3a7b s LEU 50 Ca 0.00 2.70 0.02 0.00 -1.03 0.00 0.00 54.13 55.82 3a7b s LEU 50 Cb 0.00 -3.68 0.01 0.00 0.03 0.00 0.00 46.19 42.55 3a7b s LEU 50 CO 0.00 -0.58 0.11 0.42 0.23 0.00 0.00 176.35 176.53 3a7b s THR 51 N -1.15 1.23 -2.41 5.49 -4.23 -1.26 -4.58 115.64 108.71 3a7b s THR 51 Ca 0.50 -1.86 0.28 0.00 -1.18 0.00 0.00 61.69 59.43 3a7b s THR 51 Cb -0.40 -2.09 0.58 0.00 1.34 0.00 0.00 72.50 71.93 3a7b s THR 51 CO 0.53 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 176.40 3a7b n ALA 52 N -1.42 2.61 0.93 3.99 0.00 -1.25 -3.53 120.51 121.83 3a7b n ALA 52 Ca -0.15 -0.41 0.10 0.00 0.00 0.00 0.00 53.44 52.97 3a7b n ALA 52 Cb 0.66 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 3a7b n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a7b n ALA 53 N 0.01 3.60 -2.65 0.00 0.00 -1.26 -4.44 120.51 115.77 3a7b n ALA 53 Ca 0.19 -0.61 -0.42 0.00 0.00 0.00 0.00 53.44 52.60 3a7b n ALA 53 Cb 0.33 -0.73 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 3a7b n ALA 53 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3a7b s MET 54 N -2.40 4.54 -0.20 0.00 1.00 -1.24 -4.41 119.30 116.59 3a7b s MET 54 Ca 0.16 1.49 0.01 0.00 0.00 0.00 0.00 55.69 57.35 3a7b s MET 54 Cb 0.17 -3.44 -0.13 0.00 0.00 0.00 0.00 34.83 31.43 3a7b s MET 54 CO 0.56 -0.09 -0.18 1.63 0.00 0.00 0.00 175.02 176.95 3a7b n LYS 55 N 3.88 0.50 -4.44 2.03 4.76 0.98 -3.49 118.16 122.39 3a7b n LYS 55 Ca 0.07 0.12 -0.23 0.00 -2.87 0.00 0.00 58.31 55.40 3a7b n LYS 55 Cb 0.50 -1.39 -0.16 0.00 -1.84 0.00 0.00 35.03 32.13 3a7b n LYS 55 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3a7b s SER 56 N -6.00 1.45 -0.11 4.39 0.15 -0.93 -0.38 113.70 112.26 3a7b s SER 56 Ca -0.27 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.15 3a7b s SER 56 Cb 0.07 -0.66 0.02 0.00 -1.71 0.00 0.00 66.02 63.75 3a7b s SER 56 CO 0.46 0.01 -0.09 -0.22 1.20 0.00 0.00 173.24 174.60 3a7b s LEU 57 N 0.69 1.32 -0.33 3.45 2.96 -0.63 0.25 118.68 126.39 3a7b s LEU 57 Ca -0.13 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 53.49 3a7b s LEU 57 Cb -0.15 -0.89 0.10 0.00 0.50 0.00 0.00 46.19 45.75 3a7b s LEU 57 CO 0.02 -0.09 0.04 -0.62 -1.32 0.00 0.00 176.35 174.39 3a7b s ASP 58 N 1.52 4.76 -0.51 3.68 3.68 -1.10 -1.49 116.67 127.21 3a7b s ASP 58 Ca 0.02 -2.06 0.02 0.00 2.13 0.00 0.00 52.55 52.66 3a7b s ASP 58 Cb -0.13 -1.63 0.50 0.00 -1.45 0.00 0.00 42.92 40.21 3a7b s ASP 58 CO -0.07 -0.37 1.78 0.18 0.13 0.00 0.00 175.17 176.82 3a7b n LEU 59 N 4.29 6.52 -4.77 -1.34 4.77 0.83 -1.03 117.00 126.27 3a7b n LEU 59 Ca 0.01 -4.19 -0.30 0.00 -0.03 0.00 0.00 56.01 51.50 3a7b n LEU 59 Cb 0.42 -0.78 0.10 0.00 -2.33 0.00 0.00 43.42 40.82 3a7b n LEU 59 CO 0.22 1.49 0.69 -0.44 -1.33 0.00 0.00 177.39 178.03 3a7b s SER 60 N -2.18 4.32 -1.55 -1.43 0.01 -1.22 -4.09 113.70 107.57 3a7b s SER 60 Ca 0.58 1.56 -0.12 0.00 1.31 0.00 0.00 55.95 59.29 3a7b s SER 60 Cb 0.47 -2.29 0.09 0.00 0.21 0.00 0.00 66.02 64.50 3a7b s SER 60 CO 0.02 -2.11 0.80 0.49 0.41 0.00 0.00 173.24 172.85 3a7b n PHE 61 N -3.55 -1.97 -1.78 2.43 3.01 0.74 -1.68 117.46 114.66 3a7b n PHE 61 Ca 0.08 0.84 0.00 0.00 1.01 0.00 0.00 57.45 59.38 3a7b n PHE 61 Cb 0.55 -3.64 0.00 0.00 -0.01 0.00 0.00 39.48 36.37 3a7b n PHE 61 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3a7b n ASN 62 N -2.82 0.27 -1.99 4.37 4.13 -1.24 -3.76 115.26 114.22 3a7b n ASN 62 Ca -0.04 0.00 -0.00 0.00 1.68 0.00 0.00 54.58 56.22 3a7b n ASN 62 Cb 0.56 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 38.85 3a7b n ASN 62 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3a7b n LYS 63 N 0.00 1.22 -2.33 3.52 4.76 0.38 -3.94 118.16 121.77 3a7b n LYS 63 Ca 0.00 -2.95 -0.37 0.00 -2.87 0.00 0.00 58.31 52.12 3a7b n LYS 63 Cb 0.00 -1.04 -0.04 0.00 -1.84 0.00 0.00 35.03 32.12 3a7b n LYS 63 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3a7b s ILE 64 N -2.31 3.66 0.22 -0.18 1.01 -1.04 -4.18 121.20 118.37 3a7b s ILE 64 Ca 0.33 -0.24 0.16 0.00 0.00 0.00 0.00 60.65 60.90 3a7b s ILE 64 Cb 0.36 -4.56 0.09 0.00 0.01 0.00 0.00 42.46 38.37 3a7b s ILE 64 CO -0.09 -1.48 1.72 0.00 0.00 0.00 0.00 174.94 175.09 3a7b h THR 65 N 6.77 1.06 -3.63 2.92 1.03 -1.73 -2.36 112.91 116.97 3a7b h THR 65 Ca -0.01 -1.63 -0.21 0.00 -0.01 0.00 0.00 66.41 64.55 3a7b h THR 65 Cb 1.04 1.95 -0.27 0.00 -1.07 0.00 0.00 68.15 69.80 3a7b h THR 65 CO 1.30 0.42 -0.66 -0.47 -0.01 0.00 0.00 175.52 176.10 3a7b s TYR 66 N -3.68 -0.04 -0.22 0.00 5.04 -1.26 -2.05 117.35 115.14 3a7b s TYR 66 Ca -0.01 0.09 0.02 0.00 -2.44 0.00 0.00 57.07 54.73 3a7b s TYR 66 Cb 0.12 0.01 0.05 0.00 0.35 0.00 0.00 41.96 42.48 3a7b s TYR 66 CO 0.71 -0.04 -0.12 0.42 -1.34 0.00 0.00 175.55 175.18 3a7b s ILE 67 N -0.07 1.91 0.52 3.14 1.01 -1.02 -4.62 121.20 122.06 3a7b s ILE 67 Ca -0.01 -1.26 -0.03 0.00 0.00 0.00 0.00 60.65 59.35 3a7b s ILE 67 Cb -0.01 -1.97 0.11 0.00 0.01 0.00 0.00 42.46 40.60 3a7b s ILE 67 CO 0.00 0.13 0.71 0.61 0.00 0.00 0.00 174.94 176.38 3a7b n GLY 68 N 4.57 0.19 0.32 6.18 0.00 -1.26 -1.67 105.19 113.52 3a7b n GLY 68 Ca -0.15 -1.93 0.03 0.00 0.00 0.00 0.00 46.02 43.97 3a7b n GLY 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3a7b h HIS 69 N -0.76 0.61 0.00 1.61 3.86 -1.91 -3.31 115.15 115.25 3a7b h HIS 69 Ca -0.23 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.99 3a7b h HIS 69 Cb 0.79 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.06 3a7b h HIS 69 CO 0.00 0.40 -1.41 0.41 0.86 0.00 0.00 177.93 178.19 3a7b n GLY 70 N -1.42 -0.65 0.30 2.45 0.00 -1.26 -4.61 105.19 100.00 3a7b n GLY 70 Ca 0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 46.02 45.65 3a7b n GLY 70 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3a7b n ASP 71 N -1.83 -0.51 -1.94 1.61 10.43 -1.25 -0.60 116.55 122.46 3a7b n ASP 71 Ca -0.01 1.35 -0.13 0.00 2.57 0.00 0.00 54.79 58.57 3a7b n ASP 71 Cb 0.36 -0.30 0.24 0.00 1.84 0.00 0.00 41.12 43.25 3a7b n ASP 71 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3a7b n LEU 72 N -5.13 6.02 0.15 0.64 4.77 -1.26 -4.57 117.00 117.62 3a7b n LEU 72 Ca 0.08 -3.46 0.02 0.00 -0.03 0.00 0.00 56.01 52.62 3a7b n LEU 72 Cb 0.31 -0.76 0.14 0.00 -2.33 0.00 0.00 43.42 40.77 3a7b n LEU 72 CO -0.11 0.97 0.52 0.03 -1.33 0.00 0.00 177.39 177.47 3a7b h ARG 73 N 1.69 0.00 -0.04 3.23 2.47 -1.14 -3.34 114.38 117.24 3a7b h ARG 73 Ca 0.41 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.92 3a7b h ARG 73 Cb 2.44 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.77 3a7b h ARG 73 CO 0.83 0.52 -0.85 0.00 0.56 0.00 0.00 179.97 181.03 3a7b h ALA 74 N 1.48 0.43 -0.44 0.04 0.00 -1.81 -3.38 119.26 115.58 3a7b h ALA 74 Ca -0.01 -0.66 -0.72 0.00 0.00 0.00 0.00 54.91 53.52 3a7b h ALA 74 Cb 1.22 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 3a7b h ALA 74 CO 0.07 0.78 2.81 0.00 0.00 0.00 0.00 179.25 182.91 3a7b n ALA 76 N 3.27 1.69 0.18 0.00 0.00 -1.26 -2.27 120.51 122.12 3a7b n ALA 76 Ca 0.60 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 54.06 3a7b n ALA 76 Cb 0.29 -1.19 0.12 0.00 0.00 0.00 0.00 19.45 18.66 3a7b n ALA 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3a7b n ASN 77 N -1.32 2.61 -4.69 0.00 3.02 -1.26 -4.48 115.26 109.14 3a7b n ASN 77 Ca 0.05 -1.78 -0.44 0.00 -0.03 0.00 0.00 54.58 52.39 3a7b n ASN 77 Cb 0.10 -0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 3a7b n ASN 77 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3a7b n LEU 78 N 0.74 3.52 -0.02 3.41 7.94 -0.96 -4.71 117.00 126.92 3a7b n LEU 78 Ca 0.11 1.12 -0.00 0.00 -1.11 0.00 0.00 56.01 56.13 3a7b n LEU 78 Cb 0.40 -1.49 -0.05 0.00 0.53 0.00 0.00 43.42 42.81 3a7b n LEU 78 CO 0.09 -0.20 -0.66 0.00 -1.11 0.00 0.00 177.39 175.51 3a7b n GLN 79 N 2.63 1.70 -4.32 1.96 6.02 0.49 -1.91 117.38 123.95 3a7b n GLN 79 Ca 0.13 -0.03 -0.21 0.00 -0.01 0.00 0.00 57.00 56.87 3a7b n GLN 79 Cb 0.32 -1.17 -0.16 0.00 1.02 0.00 0.00 30.24 30.25 3a7b n GLN 79 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3a7b s VAL 80 N -2.31 0.74 -0.23 5.09 1.01 -0.86 -0.06 120.40 123.79 3a7b s VAL 80 Ca -0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 3a7b s VAL 80 Cb 0.03 -0.72 0.07 0.00 0.00 0.00 0.00 36.38 35.77 3a7b s VAL 80 CO 0.28 0.27 0.06 -0.22 0.00 0.00 0.00 175.10 175.49 3a7b s LEU 81 N 0.79 1.26 -0.22 3.92 2.96 -0.40 -1.61 118.68 125.38 3a7b s LEU 81 Ca -0.12 -1.02 -0.06 0.00 -0.22 0.00 0.00 54.13 52.70 3a7b s LEU 81 Cb -0.15 -0.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.92 3a7b s LEU 81 CO 0.01 -0.35 0.03 -0.63 -1.32 0.00 0.00 176.35 174.10 3a7b s ILE 82 N 1.86 4.11 -0.22 6.68 1.01 -0.55 -1.74 121.20 132.34 3a7b s ILE 82 Ca 0.02 -0.25 0.20 0.00 0.00 0.00 0.00 60.65 60.63 3a7b s ILE 82 Cb -0.17 -2.89 0.48 0.00 0.01 0.00 0.00 42.46 39.90 3a7b s ILE 82 CO -0.15 0.39 1.14 0.18 0.00 0.00 0.00 174.94 176.50 3a7b n LEU 83 N 4.52 2.11 -4.78 2.97 4.77 -0.36 -0.12 117.00 126.11 3a7b n LEU 83 Ca -0.17 -3.20 -0.36 0.00 -0.03 0.00 0.00 56.01 52.25 3a7b n LEU 83 Cb 0.52 0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.80 3a7b n LEU 83 CO 0.31 1.15 0.76 -0.75 -1.33 0.00 0.00 177.39 177.54 3a7b s LYS 84 N -3.15 3.91 -1.74 3.23 2.20 -1.19 -3.97 119.74 119.02 3a7b s LYS 84 Ca 0.33 1.57 -0.18 0.00 -0.36 0.00 0.00 55.97 57.33 3a7b s LYS 84 Cb 0.35 -2.38 0.17 0.00 -1.51 0.00 0.00 37.83 34.46 3a7b s LYS 84 CO -0.05 -0.38 0.63 0.45 -0.36 0.00 0.00 175.35 175.64 3a7b n SER 85 N -0.46 -2.20 -0.00 1.43 2.88 -0.91 -0.18 113.62 114.17 3a7b n SER 85 Ca 0.07 -1.12 0.00 0.00 -1.33 0.00 0.00 58.87 56.49 3a7b n SER 85 Cb 0.50 -2.24 0.00 0.00 -0.75 0.00 0.00 64.21 61.71 3a7b n SER 85 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3a7b n SER 86 N -2.62 0.00 -2.79 -3.46 7.64 -1.25 -3.36 113.62 107.78 3a7b n SER 86 Ca 0.03 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.89 3a7b n SER 86 Cb 0.51 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.76 3a7b n SER 86 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3a7b n ARG 87 N 0.00 1.58 -1.79 1.43 1.74 -1.24 -4.76 116.66 113.62 3a7b n ARG 87 Ca 0.00 -3.29 -0.42 0.00 -0.77 0.00 0.00 57.85 53.37 3a7b n ARG 87 Cb 0.00 -1.38 -0.03 0.00 -1.02 0.00 0.00 32.46 30.03 3a7b n ARG 87 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3a7b s ILE 88 N -3.36 2.69 -0.02 0.55 1.01 -0.89 -4.19 121.20 117.00 3a7b s ILE 88 Ca 0.26 0.19 0.01 0.00 0.00 0.00 0.00 60.65 61.11 3a7b s ILE 88 Cb 0.36 -3.13 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 3a7b s ILE 88 CO -0.03 -0.00 0.02 -0.46 0.00 0.00 0.00 174.94 174.47 3a7b n ASN 89 N 5.62 2.18 -3.69 3.58 6.94 -0.87 0.11 115.26 129.13 3a7b n ASN 89 Ca 0.17 -0.29 -0.12 0.00 -0.02 0.00 0.00 54.58 54.33 3a7b n ASN 89 Cb 0.39 1.01 -0.09 0.00 -2.36 0.00 0.00 39.78 38.73 3a7b n ASN 89 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3a7b s THR 90 N -1.50 -0.01 -0.05 5.53 -1.32 -1.23 -4.52 115.64 112.54 3a7b s THR 90 Ca 0.00 0.03 0.01 0.00 -1.21 0.00 0.00 61.69 60.52 3a7b s THR 90 Cb 0.00 -0.72 0.02 0.00 -1.51 0.00 0.00 72.50 70.29 3a7b s THR 90 CO 0.03 0.01 -0.05 -0.63 -2.21 0.00 0.00 174.62 171.77 3a7b s ILE 91 N 0.81 0.65 0.38 5.08 1.01 -1.26 -2.45 121.20 125.42 3a7b s ILE 91 Ca -0.04 -0.17 -0.27 0.00 0.00 0.00 0.00 60.65 60.17 3a7b s ILE 91 Cb -0.05 -0.66 -0.10 0.00 0.01 0.00 0.00 42.46 41.66 3a7b s ILE 91 CO -0.06 0.26 1.34 -1.61 0.00 0.00 0.00 174.94 174.87 3a7b s GLU 92 N 1.01 4.08 0.38 2.79 0.41 -0.67 -4.88 118.70 121.82 3a7b s GLU 92 Ca -0.09 2.27 0.19 0.00 -0.41 0.00 0.00 54.97 56.92 3a7b s GLU 92 Cb -0.14 -2.88 1.14 0.00 -1.78 0.00 0.00 34.13 30.47 3a7b s GLU 92 CO -0.00 -0.44 1.70 0.78 -0.49 0.00 0.00 175.26 176.82 3a7b h GLY 93 N 2.91 1.56 -3.59 -1.39 0.00 -1.93 0.25 103.07 100.88 3a7b h GLY 93 Ca -0.50 -0.21 -0.11 0.00 0.00 0.00 0.00 47.33 46.51 3a7b h GLY 93 CO 0.64 -0.30 0.14 2.09 0.00 0.00 0.00 176.54 179.10 3a7b n ASP 94 N -4.79 5.25 0.17 0.19 5.75 -1.26 -2.98 116.55 118.88 3a7b n ASP 94 Ca 0.30 -3.10 0.12 0.00 -0.01 0.00 0.00 54.79 52.11 3a7b n ASP 94 Cb 1.01 -0.72 0.66 0.00 -1.03 0.00 0.00 41.12 41.04 3a7b n ASP 94 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a7b h ALA 95 N 3.27 2.18 -0.31 2.12 0.00 -1.18 -1.80 119.26 123.54 3a7b h ALA 95 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3a7b h ALA 95 Cb 2.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.97 3a7b h ALA 95 CO 0.62 -0.23 0.00 1.19 0.00 0.00 0.00 179.25 180.83 3a7b n PHE 96 N -4.48 1.04 0.10 0.00 3.72 -1.26 -4.40 117.46 112.18 3a7b n PHE 96 Ca 0.02 -0.83 0.20 0.00 -0.05 0.00 0.00 57.45 56.79 3a7b n PHE 96 Cb 0.27 -0.31 0.74 0.00 -0.94 0.00 0.00 39.48 39.24 3a7b n PHE 96 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 3a7b h TYR 97 N 2.10 0.00 -0.18 1.38 3.20 -1.64 -1.58 116.97 120.26 3a7b h TYR 97 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3a7b h TYR 97 Cb 1.45 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.72 3a7b h TYR 97 CO 0.55 0.00 0.00 -1.13 -1.64 0.00 0.00 178.16 175.94 3a7b n SER 98 N -3.69 2.56 -2.34 -2.11 3.41 -1.26 -4.66 113.62 105.53 3a7b n SER 98 Ca 0.07 -1.74 -0.22 0.00 -0.26 0.00 0.00 58.87 56.72 3a7b n SER 98 Cb 0.62 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 3a7b n SER 98 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3a7b n LEU 99 N 0.80 6.08 0.00 1.04 4.77 -0.59 -4.39 117.00 124.71 3a7b n LEU 99 Ca 0.11 -3.75 0.05 0.00 -0.03 0.00 0.00 56.01 52.38 3a7b n LEU 99 Cb 0.40 -1.31 0.24 0.00 -2.33 0.00 0.00 43.42 40.42 3a7b n LEU 99 CO 0.09 1.73 0.59 0.61 -1.33 0.00 0.00 177.39 179.08 3a7b n GLY 100 N 1.55 -0.59 0.12 -0.72 0.00 -1.26 -1.74 105.19 102.55 3a7b n GLY 100 Ca 0.47 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.46 3a7b n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3a7b n SER 101 N -1.27 1.60 -4.74 1.61 7.64 -1.26 -4.17 113.62 113.02 3a7b n SER 101 Ca 0.05 -1.46 -0.42 0.00 1.01 0.00 0.00 58.87 58.05 3a7b n SER 101 Cb 0.07 -0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.23 3a7b n SER 101 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3a7b s LEU 102 N -0.52 4.36 -0.01 -3.43 2.96 -0.71 -4.30 118.68 117.04 3a7b s LEU 102 Ca 0.04 2.81 0.03 0.00 -0.22 0.00 0.00 54.13 56.78 3a7b s LEU 102 Cb 0.02 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 3a7b s LEU 102 CO 0.03 -0.85 0.05 -0.62 -1.32 0.00 0.00 176.35 173.65 3a7b n GLU 103 N 2.73 0.64 -4.14 1.98 1.02 0.92 -2.04 120.64 121.75 3a7b n GLU 103 Ca 0.10 -0.02 -0.23 0.00 -0.02 0.00 0.00 57.16 56.98 3a7b n GLU 103 Cb 0.38 -1.07 -0.17 0.00 -0.02 0.00 0.00 31.44 30.57 3a7b n GLU 103 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3a7b s HIS 104 N -2.18 1.12 -0.13 -0.32 2.46 -0.65 0.19 115.29 115.77 3a7b s HIS 104 Ca -0.01 -0.43 -0.04 0.00 0.47 0.00 0.00 55.06 55.05 3a7b s HIS 104 Cb 0.02 -0.95 0.05 0.00 -0.13 0.00 0.00 32.58 31.57 3a7b s HIS 104 CO 0.12 -0.32 0.07 -1.17 -2.47 0.00 0.00 174.74 170.97 3a7b s LEU 105 N 1.23 0.36 -0.38 8.88 2.96 -0.54 -1.27 118.68 129.91 3a7b s LEU 105 Ca -0.05 -0.41 -0.05 0.00 -0.22 0.00 0.00 54.13 53.39 3a7b s LEU 105 Cb -0.14 -0.25 0.08 0.00 0.50 0.00 0.00 46.19 46.38 3a7b s LEU 105 CO -0.02 -0.31 0.17 -0.62 -1.32 0.00 0.00 176.35 174.25 3a7b s ASP 106 N 2.12 5.33 -0.24 3.68 -1.08 -0.71 -1.61 116.67 124.16 3a7b s ASP 106 Ca 0.03 -1.60 0.12 0.00 -0.52 0.00 0.00 52.55 50.58 3a7b s ASP 106 Cb -0.15 -1.87 0.52 0.00 -1.46 0.00 0.00 42.92 39.96 3a7b s ASP 106 CO -0.07 -0.46 1.46 0.18 0.52 0.00 0.00 175.17 176.79 3a7b n LEU 107 N 4.74 4.09 -4.76 -1.34 4.77 0.10 -1.23 117.00 123.37 3a7b n LEU 107 Ca -0.08 -3.42 -0.32 0.00 -0.03 0.00 0.00 56.01 52.16 3a7b n LEU 107 Cb 0.43 -0.60 0.08 0.00 -2.33 0.00 0.00 43.42 41.00 3a7b n LEU 107 CO 0.34 0.98 0.71 -0.94 -1.33 0.00 0.00 177.39 177.15 3a7b s SER 108 N -2.23 4.62 -1.37 -1.43 1.04 -0.90 -4.06 113.70 109.36 3a7b s SER 108 Ca 0.44 1.89 -0.00 0.00 0.48 0.00 0.00 55.95 58.76 3a7b s SER 108 Cb 0.38 -2.53 -0.00 0.00 0.10 0.00 0.00 66.02 63.97 3a7b s SER 108 CO 0.04 -1.96 0.51 0.47 0.98 0.00 0.00 173.24 173.29 3a7b n ASP 109 N -3.22 -0.59 -0.46 7.02 8.00 -0.28 -2.14 116.55 124.88 3a7b n ASP 109 Ca 0.10 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.65 3a7b n ASP 109 Cb 0.53 -3.41 0.00 0.00 -0.02 0.00 0.00 41.12 38.22 3a7b n ASP 109 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a7b n ASN 110 N -3.01 1.85 -2.19 -2.24 4.13 -1.23 -2.89 115.26 109.67 3a7b n ASN 110 Ca -0.31 -0.24 -0.29 0.00 1.68 0.00 0.00 54.58 55.42 3a7b n ASN 110 Cb 0.68 0.00 0.04 0.00 -1.54 0.00 0.00 39.78 38.97 3a7b n ASN 110 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3a7b n HIS 111 N 0.00 2.98 -2.65 3.10 8.25 0.31 -4.42 115.22 122.79 3a7b n HIS 111 Ca 0.00 -2.58 -0.43 0.00 -0.26 0.00 0.00 57.72 54.45 3a7b n HIS 111 Cb 0.00 -0.79 -0.02 0.00 1.12 0.00 0.00 29.99 30.29 3a7b n HIS 111 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3a7b s LEU 112 N -3.70 3.86 0.14 2.41 1.02 -1.18 -4.24 118.68 116.99 3a7b s LEU 112 Ca 0.56 0.83 0.20 0.00 0.02 0.00 0.00 54.13 55.74 3a7b s LEU 112 Cb 0.45 -3.51 -0.06 0.00 0.02 0.00 0.00 46.19 43.09 3a7b s LEU 112 CO -0.00 -0.98 0.96 0.28 0.02 0.00 0.00 176.35 176.63 3a7b h SER 113 N 8.44 0.00 -3.60 2.29 0.02 -1.86 -2.83 113.55 116.02 3a7b h SER 113 Ca -0.21 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.43 3a7b h SER 113 Cb 1.06 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.28 3a7b h SER 113 CO 1.05 0.29 -0.74 -0.44 -1.14 0.00 0.00 176.83 175.85 3a7b s SER 114 N -5.60 0.25 0.23 3.07 0.01 -1.26 -4.21 113.70 106.18 3a7b s SER 114 Ca -0.01 -0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.25 3a7b s SER 114 Cb 0.09 -0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.17 3a7b s SER 114 CO 0.80 -0.07 0.40 -0.76 0.41 0.00 0.00 173.24 174.02 3a7b s LEU 115 N 0.69 4.23 -0.07 2.44 1.43 -1.26 -5.02 118.68 121.12 3a7b s LEU 115 Ca -0.06 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 3a7b s LEU 115 Cb -0.09 -3.09 0.02 0.00 0.03 0.00 0.00 46.19 43.06 3a7b s LEU 115 CO -0.02 -0.08 -0.06 -0.55 0.23 0.00 0.00 176.35 175.87 3a7b s SER 116 N -3.52 1.49 0.61 2.29 0.15 -1.26 -4.84 113.70 108.62 3a7b s SER 116 Ca 0.37 -0.19 0.35 0.00 0.70 0.00 0.00 55.95 57.18 3a7b s SER 116 Cb -0.10 -0.61 2.02 0.00 -1.71 0.00 0.00 66.02 65.62 3a7b s SER 116 CO 0.30 -0.07 2.29 0.77 1.20 0.00 0.00 173.24 177.72 3a7b h SER 117 N 7.55 0.00 -0.71 5.45 4.64 -1.86 -1.72 113.55 126.89 3a7b h SER 117 Ca -0.31 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.03 3a7b h SER 117 Cb 1.15 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.20 3a7b h SER 117 CO 0.42 0.01 0.47 0.28 -0.87 0.00 0.00 176.83 177.14 3a7b h SER 118 N 0.00 0.77 -0.67 4.97 0.02 -1.92 -2.42 113.55 114.28 3a7b h SER 118 Ca -0.00 -0.01 0.11 0.00 -0.84 0.00 0.00 61.79 61.04 3a7b h SER 118 Cb 0.03 -0.18 -0.08 0.00 0.14 0.00 0.00 62.40 62.31 3a7b h SER 118 CO 0.00 0.54 0.28 -0.50 -1.14 0.00 0.00 176.83 176.01 3a7b h TRP 119 N 0.90 0.49 0.00 3.45 6.55 -1.20 -2.67 115.95 123.47 3a7b h TRP 119 Ca 0.27 0.03 0.00 0.00 0.95 0.00 0.00 58.89 60.15 3a7b h TRP 119 Cb -0.01 -0.12 0.00 0.00 -0.86 0.00 0.00 29.16 28.18 3a7b h TRP 119 CO -0.00 0.12 -0.34 1.19 -1.05 0.00 0.00 178.44 178.37 3a7b n PHE 120 N -4.96 0.45 -0.29 0.49 3.72 -0.94 -4.33 117.46 111.60 3a7b n PHE 120 Ca 0.11 0.13 0.10 0.00 -0.05 0.00 0.00 57.45 57.74 3a7b n PHE 120 Cb 0.31 -0.62 0.25 0.00 -0.94 0.00 0.00 39.48 38.47 3a7b n PHE 120 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3a7b h GLY 121 N 4.69 1.19 0.83 1.37 0.00 -1.20 -1.97 103.07 107.98 3a7b h GLY 121 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3a7b h GLY 121 CO 0.00 -0.34 -0.66 -1.55 0.00 0.00 0.00 176.54 173.98 3a7b n PRO 122 N -5.27 0.08 -0.90 4.80 -0.04 -1.26 -4.57 135.00 127.84 3a7b n PRO 122 Ca 0.19 0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.46 3a7b n PRO 122 Cb 0.61 -1.54 -0.08 0.00 -0.04 0.00 0.00 33.50 32.46 3a7b n PRO 122 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3a7b n LEU 123 N -1.64 5.48 0.22 1.53 4.77 -0.74 -4.48 117.00 122.14 3a7b n LEU 123 Ca 0.04 -3.11 0.15 0.00 -0.03 0.00 0.00 56.01 53.06 3a7b n LEU 123 Cb 0.36 -1.22 0.73 0.00 -2.33 0.00 0.00 43.42 40.97 3a7b n LEU 123 CO 0.37 1.27 0.95 0.77 -1.33 0.00 0.00 177.39 179.42 3a7b h SER 124 N 4.70 0.00 0.00 -1.43 4.64 -1.80 -1.89 113.55 117.78 3a7b h SER 124 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3a7b h SER 124 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3a7b h SER 124 CO 0.97 0.00 -0.12 -1.20 -0.87 0.00 0.00 176.83 175.61 3a7b n SER 125 N -2.59 2.27 -4.68 4.97 7.64 -1.26 -4.16 113.62 115.81 3a7b n SER 125 Ca -0.01 -1.68 -0.44 0.00 1.01 0.00 0.00 58.87 57.75 3a7b n SER 125 Cb 0.14 0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.41 3a7b n SER 125 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3a7b n LEU 126 N 0.62 3.84 -0.05 -3.43 7.94 -0.71 -4.25 117.00 120.95 3a7b n LEU 126 Ca 0.14 0.99 -0.05 0.00 -1.11 0.00 0.00 56.01 55.98 3a7b n LEU 126 Cb 0.49 -1.50 -0.07 0.00 0.53 0.00 0.00 43.42 42.87 3a7b n LEU 126 CO 0.19 0.08 -0.82 0.29 -1.11 0.00 0.00 177.39 176.02 3a7b n LYS 127 N 5.68 2.11 -4.68 1.96 5.02 0.13 -1.72 118.16 126.66 3a7b n LYS 127 Ca 0.19 0.01 -0.25 0.00 -2.02 0.00 0.00 58.31 56.23 3a7b n LYS 127 Cb 0.35 -1.24 -0.16 0.00 -0.02 0.00 0.00 35.03 33.96 3a7b n LYS 127 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3a7b s TYR 128 N -2.23 1.56 -0.06 2.13 5.04 0.37 -0.29 117.35 123.86 3a7b s TYR 128 Ca -0.07 -0.54 -0.03 0.00 -2.44 0.00 0.00 57.07 54.00 3a7b s TYR 128 Cb 0.03 -1.11 0.04 0.00 0.35 0.00 0.00 41.96 41.27 3a7b s TYR 128 CO 0.37 -0.25 0.13 -1.17 -1.34 0.00 0.00 175.55 173.29 3a7b s LEU 129 N 0.44 0.44 -0.22 6.97 2.96 -0.77 -1.47 118.68 127.04 3a7b s LEU 129 Ca -0.11 0.26 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 3a7b s LEU 129 Cb -0.14 0.24 0.05 0.00 0.50 0.00 0.00 46.19 46.84 3a7b s LEU 129 CO 0.04 -0.19 -0.06 0.21 -1.32 0.00 0.00 176.35 175.03 3a7b s ASN 130 N 1.63 3.57 -0.00 3.68 3.84 -0.63 -2.16 114.94 124.87 3a7b s ASN 130 Ca -0.04 -1.03 0.05 0.00 0.21 0.00 0.00 52.86 52.05 3a7b s ASN 130 Cb -0.12 -1.12 0.13 0.00 -0.55 0.00 0.00 41.25 39.59 3a7b s ASN 130 CO -0.05 -0.22 1.11 0.18 -2.79 0.00 0.00 177.10 175.33 3a7b n LEU 131 N 4.72 2.38 -4.76 3.21 4.77 -0.65 0.02 117.00 126.70 3a7b n LEU 131 Ca -0.12 -2.03 -0.37 0.00 -0.03 0.00 0.00 56.01 53.46 3a7b n LEU 131 Cb 0.45 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.45 3a7b n LEU 131 CO 0.18 0.59 0.85 -0.32 -1.33 0.00 0.00 177.39 177.36 3a7b s MET 132 N -1.06 3.36 0.00 3.23 1.75 -1.18 -3.85 119.30 121.56 3a7b s MET 132 Ca 0.10 1.84 0.00 0.00 -1.25 0.00 0.00 55.69 56.38 3a7b s MET 132 Cb 0.06 -2.18 0.00 0.00 2.84 0.00 0.00 34.83 35.55 3a7b s MET 132 CO 0.06 -0.90 0.00 0.41 -0.65 0.00 0.00 175.02 173.94 3a7b n GLY 133 N 0.47 0.54 3.61 2.11 0.00 -0.29 -1.13 105.19 110.50 3a7b n GLY 133 Ca 0.10 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 3a7b n GLY 133 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a7b s ASN 134 N -2.61 4.70 0.00 1.61 -0.87 -1.25 -3.31 114.94 113.21 3a7b s ASN 134 Ca 0.00 -0.12 0.00 0.00 -1.57 0.00 0.00 52.86 51.17 3a7b s ASN 134 Cb 0.00 -1.12 0.00 0.00 -0.02 0.00 0.00 41.25 40.11 3a7b s ASN 134 CO 0.00 0.28 0.54 -0.81 -2.57 0.00 0.00 177.10 174.54 3a7b n PRO 135 N 1.53 0.65 -1.81 -0.60 -0.04 -1.16 -4.70 135.00 128.86 3a7b n PRO 135 Ca -0.15 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.97 3a7b n PRO 135 Cb 0.53 -1.22 0.05 0.00 -0.04 0.00 0.00 33.50 32.81 3a7b n PRO 135 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3a7b s TYR 136 N -0.08 2.46 -0.11 0.54 -0.85 -1.08 -4.75 117.35 113.48 3a7b s TYR 136 Ca 0.00 1.56 0.16 0.00 -0.52 0.00 0.00 57.07 58.27 3a7b s TYR 136 Cb 0.00 -3.31 -0.20 0.00 0.38 0.00 0.00 41.96 38.83 3a7b s TYR 136 CO 0.00 -1.96 0.60 0.94 -1.52 0.00 0.00 175.55 173.61 3a7b n GLN 137 N -2.15 0.64 -3.92 -3.49 7.27 -1.26 -3.01 117.38 111.46 3a7b n GLN 137 Ca 0.12 0.17 -0.09 0.00 0.07 0.00 0.00 57.00 57.27 3a7b n GLN 137 Cb 0.51 -1.73 -0.02 0.00 2.41 0.00 0.00 30.24 31.41 3a7b n GLN 137 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 3a7b s THR 138 N -2.78 0.00 -1.92 1.69 -4.23 -1.26 -1.50 115.64 105.64 3a7b s THR 138 Ca -0.05 -1.19 0.32 0.00 -1.18 0.00 0.00 61.69 59.58 3a7b s THR 138 Cb 0.08 -2.37 0.85 0.00 1.34 0.00 0.00 72.50 72.40 3a7b s THR 138 CO 0.83 0.00 2.20 0.18 -0.54 0.00 0.00 174.62 177.28 3a7b n LEU 139 N -0.47 0.02 0.00 4.79 4.77 -1.26 -4.73 117.00 120.12 3a7b n LEU 139 Ca -0.04 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3a7b n LEU 139 Cb 0.60 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3a7b n LEU 139 CO 0.22 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 3a7b n GLY 140 N 1.05 1.12 0.99 -0.72 0.00 -1.26 -4.65 105.19 101.71 3a7b n GLY 140 Ca 0.22 -1.88 -0.01 0.00 0.00 0.00 0.00 46.02 44.35 3a7b n GLY 140 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3a7b n VAL 141 N 1.34 0.95 -3.73 1.61 0.24 -1.26 -4.74 118.33 112.73 3a7b n VAL 141 Ca 0.00 -0.31 -0.14 0.00 -2.04 0.00 0.00 64.34 61.85 3a7b n VAL 141 Cb 0.00 -0.67 -0.15 0.00 -1.47 0.00 0.00 33.84 31.55 3a7b n VAL 141 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3a7b s THR 142 N -0.98 -0.09 -0.16 3.34 2.01 -1.26 -5.10 115.64 113.39 3a7b s THR 142 Ca 0.10 0.21 -0.36 0.00 0.31 0.00 0.00 61.69 61.95 3a7b s THR 142 Cb 0.08 -0.26 -0.13 0.00 0.01 0.00 0.00 72.50 72.21 3a7b s THR 142 CO 0.03 0.09 1.85 -1.20 -0.69 0.00 0.00 174.62 174.69 3a7b n SER 143 N 4.40 3.07 0.10 3.53 7.64 -1.26 -4.78 113.62 126.32 3a7b n SER 143 Ca -0.23 0.99 -0.03 0.00 1.01 0.00 0.00 58.87 60.61 3a7b n SER 143 Cb 0.51 -1.29 -0.02 0.00 -1.01 0.00 0.00 64.21 62.41 3a7b n SER 143 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3a7b h LEU 144 N 8.71 0.00 -2.36 -3.43 3.38 -1.86 -3.40 115.31 116.34 3a7b h LEU 144 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3a7b h LEU 144 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3a7b h LEU 144 CO 0.96 0.77 0.00 0.49 0.09 0.00 0.00 178.44 180.74 3a7b n PHE 145 N -3.36 0.45 -0.10 1.13 3.72 -1.26 -4.72 117.46 113.32 3a7b n PHE 145 Ca 0.00 -0.30 0.19 0.00 -0.05 0.00 0.00 57.45 57.29 3a7b n PHE 145 Cb 0.82 -0.01 0.60 0.00 -0.94 0.00 0.00 39.48 39.95 3a7b n PHE 145 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3a7b h PRO 146 N 3.40 0.20 0.00 -1.08 0.13 -1.77 -1.86 132.00 131.02 3a7b h PRO 146 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3a7b h PRO 146 Cb 0.83 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3a7b h PRO 146 CO 0.00 0.13 -0.25 0.09 -0.23 0.00 0.00 178.00 177.74 3a7b n ASN 147 N -4.42 0.51 -2.24 1.44 3.02 -1.26 -4.39 115.26 107.93 3a7b n ASN 147 Ca 0.13 0.29 -0.12 0.00 -0.03 0.00 0.00 54.58 54.85 3a7b n ASN 147 Cb 0.61 -0.28 -0.12 0.00 -0.61 0.00 0.00 39.78 39.38 3a7b n ASN 147 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3a7b n LEU 148 N -1.89 4.33 0.11 3.41 4.32 -0.70 -4.52 117.00 122.06 3a7b n LEU 148 Ca 0.05 -2.68 0.06 0.00 -0.02 0.00 0.00 56.01 53.43 3a7b n LEU 148 Cb 0.39 -1.12 0.32 0.00 -1.62 0.00 0.00 43.42 41.39 3a7b n LEU 148 CO 0.32 1.21 0.71 0.35 -1.22 0.00 0.00 177.39 178.75 3a7b n THR 149 N 2.76 1.12 -0.02 -5.08 -2.24 -1.26 -1.06 114.28 108.50 3a7b n THR 149 Ca 0.36 0.66 0.06 0.00 -2.27 0.00 0.00 64.05 62.86 3a7b n THR 149 Cb 0.65 -1.66 0.13 0.00 -2.10 0.00 0.00 70.33 67.36 3a7b n THR 149 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3a7b n ASN 150 N -1.90 2.74 -4.76 3.42 3.02 -1.26 -5.03 115.26 111.49 3a7b n ASN 150 Ca -0.01 -1.88 -0.41 0.00 -0.03 0.00 0.00 54.58 52.25 3a7b n ASN 150 Cb 0.14 -0.19 -0.01 0.00 -0.61 0.00 0.00 39.78 39.11 3a7b n ASN 150 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3a7b s LEU 151 N -1.00 4.33 0.00 3.41 2.96 -0.22 -4.33 118.68 123.84 3a7b s LEU 151 Ca 0.22 3.00 0.00 0.00 -0.22 0.00 0.00 54.13 57.13 3a7b s LEU 151 Cb 0.12 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 43.16 3a7b s LEU 151 CO 0.16 -0.91 0.00 0.00 -1.32 0.00 0.00 176.35 174.28 3a7b n GLN 152 N 1.57 0.00 -5.10 1.98 6.02 0.60 -4.68 117.38 117.76 3a7b n GLN 152 Ca 0.06 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.73 3a7b n GLN 152 Cb 0.38 -0.87 -0.17 0.00 1.02 0.00 0.00 30.24 30.60 3a7b n GLN 152 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3a7b s THR 153 N -1.92 2.04 -0.05 5.09 2.01 -0.10 -0.82 115.64 121.88 3a7b s THR 153 Ca 0.00 -1.00 -0.01 0.00 0.31 0.00 0.00 61.69 60.99 3a7b s THR 153 Cb 0.00 -1.77 0.03 0.00 0.01 0.00 0.00 72.50 70.77 3a7b s THR 153 CO 0.00 0.55 0.03 -0.22 -0.69 0.00 0.00 174.62 174.29 3a7b s LEU 154 N 0.44 0.45 -0.08 4.42 2.96 -0.57 -1.85 118.68 124.46 3a7b s LEU 154 Ca -0.17 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 3a7b s LEU 154 Cb -0.17 -0.30 0.00 0.00 0.50 0.00 0.00 46.19 46.22 3a7b s LEU 154 CO 0.07 -0.21 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.56 3a7b s ARG 155 N 1.97 2.40 0.23 1.98 0.52 -0.92 -0.75 118.95 124.39 3a7b s ARG 155 Ca 0.04 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 54.54 3a7b s ARG 155 Cb -0.12 -1.91 -0.04 0.00 0.52 0.00 0.00 34.95 33.39 3a7b s ARG 155 CO -0.04 0.18 0.14 0.96 0.02 0.00 0.00 175.30 176.56 3a7b s ILE 156 N 0.31 0.13 0.00 1.52 -4.36 -0.51 -1.63 121.20 116.66 3a7b s ILE 156 Ca -0.13 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.26 3a7b s ILE 156 Cb -0.16 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 41.03 3a7b s ILE 156 CO 0.06 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.85 3a7b n GLY 157 N -0.36 -2.74 2.64 6.27 0.00 -1.26 -1.87 105.19 107.86 3a7b n GLY 157 Ca 0.02 -2.08 -0.01 0.00 0.00 0.00 0.00 46.02 43.95 3a7b n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3a7b n ASN 158 N 0.00 -1.07 -0.03 1.61 0.23 0.49 -1.14 115.26 115.36 3a7b n ASN 158 Ca 0.00 -1.48 -0.20 0.00 -0.53 0.00 0.00 54.58 52.37 3a7b n ASN 158 Cb 0.00 1.72 -0.13 0.00 -2.08 0.00 0.00 39.78 39.28 3a7b n ASN 158 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3a7b h VAL 159 N 1.67 1.16 0.00 3.53 2.07 -1.94 -3.32 116.25 119.42 3a7b h VAL 159 Ca -0.17 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 64.99 3a7b h VAL 159 Cb 0.81 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 3a7b h VAL 159 CO 0.24 0.61 -1.03 -0.62 0.02 0.00 0.00 177.57 176.78 3a7b n GLU 160 N -4.15 1.54 0.00 1.57 1.02 -1.26 -3.62 120.64 115.75 3a7b n GLU 160 Ca -0.23 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 56.86 3a7b n GLU 160 Cb 0.78 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 3a7b n GLU 160 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3a7b n THR 161 N -1.57 0.00 -1.60 2.62 -2.24 -1.26 -4.89 114.28 105.34 3a7b n THR 161 Ca 0.01 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 3a7b n THR 161 Cb 0.29 -0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 67.85 3a7b n THR 161 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3a7b n PHE 162 N -1.48 1.96 -0.02 4.78 7.35 -1.17 -4.48 117.46 124.41 3a7b n PHE 162 Ca 0.00 -0.12 0.00 0.00 -0.76 0.00 0.00 57.45 56.57 3a7b n PHE 162 Cb 0.32 -2.73 0.00 0.00 0.35 0.00 0.00 39.48 37.43 3a7b n PHE 162 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 3a7b n SER 163 N 11.63 0.24 -4.01 -2.13 3.41 -0.56 -3.37 113.62 118.83 3a7b n SER 163 Ca 0.30 -0.60 -0.14 0.00 -0.26 0.00 0.00 58.87 58.17 3a7b n SER 163 Cb 0.44 0.68 -0.13 0.00 -0.26 0.00 0.00 64.21 64.94 3a7b n SER 163 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3a7b s GLU 164 N -0.68 0.45 -0.14 4.33 2.02 -1.18 -1.03 118.70 122.47 3a7b s GLU 164 Ca 0.00 -0.49 -0.00 0.00 0.02 0.00 0.00 54.97 54.50 3a7b s GLU 164 Cb 0.00 -0.30 0.03 0.00 0.10 0.00 0.00 34.13 33.95 3a7b s GLU 164 CO 0.00 0.07 -0.10 0.42 0.02 0.00 0.00 175.26 175.67 3a7b s ILE 165 N -0.82 1.28 0.32 -1.63 1.01 -0.62 -4.58 121.20 116.16 3a7b s ILE 165 Ca -0.05 -0.51 0.09 0.00 0.00 0.00 0.00 60.65 60.18 3a7b s ILE 165 Cb -0.06 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 3a7b s ILE 165 CO 0.00 0.36 0.10 -0.13 0.00 0.00 0.00 174.94 175.27 3a7b s ARG 166 N 1.59 2.33 0.39 2.79 0.52 -1.26 -1.58 118.95 123.74 3a7b s ARG 166 Ca 0.04 -1.54 0.28 0.00 -0.52 0.00 0.00 55.73 54.00 3a7b s ARG 166 Cb -0.13 -2.15 1.31 0.00 0.52 0.00 0.00 34.95 34.49 3a7b s ARG 166 CO -0.09 0.17 1.85 0.00 0.02 0.00 0.00 175.30 177.25 3a7b h ARG 167 N 1.65 0.00 0.00 3.54 3.08 -1.90 -1.88 114.38 118.86 3a7b h ARG 167 Ca -0.44 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.55 3a7b h ARG 167 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 3a7b h ARG 167 CO 0.63 0.00 -0.93 -0.84 -1.07 0.00 0.00 179.97 177.76 3a7b h ILE 168 N 0.00 0.27 -0.94 2.04 3.07 -1.96 -3.41 117.51 116.58 3a7b h ILE 168 Ca 0.00 -1.47 0.29 0.00 1.55 0.00 0.00 64.86 65.23 3a7b h ILE 168 Cb 0.26 1.85 -0.15 0.00 -0.27 0.00 0.00 36.82 38.51 3a7b h ILE 168 CO 0.00 0.15 0.35 0.44 -1.05 0.00 0.00 178.15 178.04 3a7b h ASP 169 N 0.00 0.14 -0.24 2.16 5.19 -1.70 -2.59 116.42 119.38 3a7b h ASP 169 Ca -0.05 0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 3a7b h ASP 169 Cb 1.23 0.25 0.00 0.00 0.18 0.00 0.00 39.33 41.00 3a7b h ASP 169 CO 0.02 -0.20 0.00 0.49 -3.12 0.00 0.00 179.24 176.43 3a7b n PHE 170 N -5.21 0.55 -1.64 4.55 3.72 -1.26 -4.49 117.46 113.68 3a7b n PHE 170 Ca 0.27 -0.70 -0.41 0.00 -0.05 0.00 0.00 57.45 56.55 3a7b n PHE 170 Cb 0.85 -0.16 0.01 0.00 -0.94 0.00 0.00 39.48 39.25 3a7b n PHE 170 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3a7b n ALA 171 N -0.22 0.51 0.00 4.37 0.00 -0.98 -2.31 120.51 121.88 3a7b n ALA 171 Ca 0.15 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3a7b n ALA 171 Cb 0.62 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.93 3a7b n ALA 171 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a7b n GLY 172 N 1.08 2.98 3.74 0.00 0.00 -1.26 -3.66 105.19 108.07 3a7b n GLY 172 Ca 0.09 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 3a7b n GLY 172 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a7b s LEU 173 N 0.00 4.44 -0.20 0.99 1.43 -0.98 -4.87 118.68 119.50 3a7b s LEU 173 Ca 0.00 1.50 -0.11 0.00 -1.03 0.00 0.00 54.13 54.49 3a7b s LEU 173 Cb 0.00 -3.31 -0.08 0.00 0.03 0.00 0.00 46.19 42.83 3a7b s LEU 173 CO 0.00 -0.04 -0.28 0.35 0.23 0.00 0.00 176.35 176.62 3a7b n THR 174 N 3.00 1.23 -4.03 5.49 -2.24 -1.26 -4.31 114.28 112.16 3a7b n THR 174 Ca -0.01 -0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 61.48 3a7b n THR 174 Cb 0.50 -1.86 -0.11 0.00 -2.10 0.00 0.00 70.33 66.76 3a7b n THR 174 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3a7b s SER 175 N -6.76 0.39 -0.05 3.42 1.04 -1.26 0.45 113.70 110.94 3a7b s SER 175 Ca -0.29 -0.70 -0.08 0.00 0.48 0.00 0.00 55.95 55.36 3a7b s SER 175 Cb 0.10 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.37 3a7b s SER 175 CO 0.37 -0.41 0.20 -0.76 0.98 0.00 0.00 173.24 173.62 3a7b s LEU 176 N -2.04 1.26 -0.09 2.42 1.43 0.24 -4.78 118.68 117.12 3a7b s LEU 176 Ca -0.07 0.19 -0.24 0.00 -1.03 0.00 0.00 54.13 52.98 3a7b s LEU 176 Cb -0.03 0.78 -0.20 0.00 0.03 0.00 0.00 46.19 46.76 3a7b s LEU 176 CO -0.04 -0.21 0.85 0.78 0.23 0.00 0.00 176.35 177.96 3a7b h ASN 177 N 5.11 -0.04 -3.81 2.29 -0.26 -1.27 -0.07 115.58 117.53 3a7b h ASN 177 Ca -0.28 -0.66 -0.49 0.00 -0.56 0.00 0.00 56.30 54.31 3a7b h ASN 177 Cb 1.19 0.01 -0.31 0.00 -1.06 0.00 0.00 38.32 38.15 3a7b h ASN 177 CO 0.39 0.71 -0.81 -0.70 -1.06 0.00 0.00 177.43 175.95 3a7b s GLU 178 N -2.91 1.37 -0.20 0.81 2.12 -0.71 0.39 118.70 119.57 3a7b s GLU 178 Ca -0.15 -0.44 -0.03 0.00 0.36 0.00 0.00 54.97 54.70 3a7b s GLU 178 Cb -0.01 -1.22 0.07 0.00 0.26 0.00 0.00 34.13 33.23 3a7b s GLU 178 CO 0.59 0.16 0.05 -1.17 -0.54 0.00 0.00 175.26 174.35 3a7b s LEU 179 N 0.18 1.09 -0.19 2.70 2.96 -0.35 -1.51 118.68 123.56 3a7b s LEU 179 Ca -0.05 -0.88 -0.04 0.00 -0.22 0.00 0.00 54.13 52.94 3a7b s LEU 179 Cb -0.11 -0.54 -0.02 0.00 0.50 0.00 0.00 46.19 46.02 3a7b s LEU 179 CO 0.01 -0.33 -0.02 -0.70 -1.32 0.00 0.00 176.35 174.00 3a7b s GLU 180 N 1.90 3.57 -0.28 1.98 2.12 0.07 -0.95 118.70 127.12 3a7b s GLU 180 Ca 0.01 -0.55 0.03 0.00 0.36 0.00 0.00 54.97 54.82 3a7b s GLU 180 Cb -0.17 -3.02 0.07 0.00 0.26 0.00 0.00 34.13 31.27 3a7b s GLU 180 CO -0.11 0.02 -0.06 0.42 -0.54 0.00 0.00 175.26 174.99 3a7b s ILE 181 N 0.95 2.09 -0.63 -3.70 1.01 0.84 -1.42 121.20 120.34 3a7b s ILE 181 Ca 0.01 -1.76 -0.21 0.00 0.00 0.00 0.00 60.65 58.69 3a7b s ILE 181 Cb -0.14 -2.31 0.08 0.00 0.01 0.00 0.00 42.46 40.09 3a7b s ILE 181 CO 0.01 -0.19 0.87 -0.75 0.00 0.00 0.00 174.94 174.89 3a7b s LYS 182 N 1.10 3.10 -0.41 2.79 2.20 -0.78 -1.08 119.74 126.65 3a7b s LYS 182 Ca -0.03 -0.95 0.11 0.00 -0.36 0.00 0.00 55.97 54.74 3a7b s LYS 182 Cb -0.20 -4.23 0.39 0.00 -1.51 0.00 0.00 37.83 32.29 3a7b s LYS 182 CO -0.06 -1.69 0.88 0.00 -0.36 0.00 0.00 175.35 174.11 3a7b n ALA 183 N 7.23 3.29 0.54 3.13 0.00 -0.56 -0.38 120.51 133.75 3a7b n ALA 183 Ca -0.05 -3.70 0.05 0.00 0.00 0.00 0.00 53.44 49.74 3a7b n ALA 183 Cb 0.45 -0.84 0.28 0.00 0.00 0.00 0.00 19.45 19.33 3a7b n ALA 183 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3a7b n LEU 184 N -0.01 0.00 0.00 0.00 4.77 -1.14 -1.20 117.00 119.42 3a7b n LEU 184 Ca 0.24 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 3a7b n LEU 184 Cb 0.65 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3a7b n LEU 184 CO 0.27 -0.14 0.40 -1.20 -1.33 0.00 0.00 177.39 175.39 3a7b n SER 185 N -1.21 1.55 -4.50 -1.43 7.64 -1.24 -4.32 113.62 110.11 3a7b n SER 185 Ca 0.06 -1.62 -0.57 0.00 1.01 0.00 0.00 58.87 57.75 3a7b n SER 185 Cb 0.07 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.20 3a7b n SER 185 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3a7b n LEU 186 N -0.31 0.06 0.00 -3.43 7.94 -0.35 -4.54 117.00 116.38 3a7b n LEU 186 Ca 0.00 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 3a7b n LEU 186 Cb 0.19 -0.96 0.00 0.00 0.53 0.00 0.00 43.42 43.18 3a7b n LEU 186 CO 0.00 -1.93 -0.03 0.54 -1.11 0.00 0.00 177.39 174.86 3a7b n ARG 187 N 1.55 3.95 -3.37 1.96 1.74 -0.20 -5.00 116.66 117.29 3a7b n ARG 187 Ca 0.19 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.27 3a7b n ARG 187 Cb 0.12 -0.35 -0.04 0.00 -1.02 0.00 0.00 32.46 31.17 3a7b n ARG 187 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3a7b s ASN 188 N -0.65 -0.99 -0.24 0.55 2.47 -0.58 -5.03 114.94 110.45 3a7b s ASN 188 Ca 0.00 1.01 -0.04 0.00 0.42 0.00 0.00 52.86 54.25 3a7b s ASN 188 Cb 0.00 1.99 -0.00 0.00 -1.45 0.00 0.00 41.25 41.79 3a7b s ASN 188 CO 0.00 -0.25 -0.01 -0.47 -3.72 0.00 0.00 177.10 172.65 3a7b s TYR 189 N 2.81 3.01 -0.19 0.43 5.04 -1.26 -1.59 117.35 125.59 3a7b s TYR 189 Ca 0.10 -0.95 -0.24 0.00 -2.44 0.00 0.00 57.07 53.54 3a7b s TYR 189 Cb -0.14 -2.14 -0.02 0.00 0.35 0.00 0.00 41.96 40.02 3a7b s TYR 189 CO -0.19 -0.55 0.78 -0.65 -1.34 0.00 0.00 175.55 173.60 3a7b s GLN 190 N 1.48 4.25 0.25 4.97 -0.21 -0.61 -5.00 119.66 124.80 3a7b s GLN 190 Ca 0.05 0.90 -0.31 0.00 0.02 0.00 0.00 55.36 56.01 3a7b s GLN 190 Cb -0.15 -3.59 -0.13 0.00 1.00 0.00 0.00 33.01 30.15 3a7b s GLN 190 CO -0.02 -0.34 1.52 0.45 -2.12 0.00 0.00 175.29 174.78 3a7b n SER 191 N 5.33 3.33 0.00 5.90 2.88 -1.26 -2.03 113.62 127.78 3a7b n SER 191 Ca 0.03 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 3a7b n SER 191 Cb 0.49 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 3a7b n SER 191 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3a7b n GLN 192 N 2.31 0.00 0.23 -1.46 1.13 -1.26 -4.92 117.38 113.42 3a7b n GLN 192 Ca 0.11 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 55.01 3a7b n GLN 192 Cb 0.34 -0.55 -0.08 0.00 0.11 0.00 0.00 30.24 30.06 3a7b n GLN 192 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 3a7b h SER 193 N 0.00 -1.01 1.11 1.08 0.02 -1.71 -2.73 113.55 110.31 3a7b h SER 193 Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3a7b h SER 193 Cb 0.00 0.34 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3a7b h SER 193 CO 0.00 -0.52 0.00 0.18 -1.14 0.00 0.00 176.83 175.35 3a7b n LEU 194 N -5.48 0.65 0.29 5.07 7.99 -1.26 -3.93 117.00 120.33 3a7b n LEU 194 Ca -0.10 0.60 0.15 0.00 -0.01 0.00 0.00 56.01 56.65 3a7b n LEU 194 Cb 0.38 -0.44 0.88 0.00 -0.11 0.00 0.00 43.42 44.13 3a7b n LEU 194 CO 0.28 -0.31 1.08 0.50 -1.51 0.00 0.00 177.39 177.43 3a7b h LYS 195 N 0.00 0.00 0.00 3.23 3.64 -1.49 -2.90 116.57 119.06 3a7b h LYS 195 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3a7b h LYS 195 Cb 0.56 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3a7b h LYS 195 CO 0.00 0.04 -0.06 0.66 -2.27 0.00 0.00 179.45 177.82 3a7b h SER 196 N 0.00 0.00 -3.28 4.20 4.64 -1.68 -3.43 113.55 114.00 3a7b h SER 196 Ca -0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 3a7b h SER 196 Cb 0.12 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 3a7b h SER 196 CO 0.01 0.06 0.52 -0.63 -0.87 0.00 0.00 176.83 175.91 3a7b s ILE 197 N -3.57 4.71 0.04 0.95 1.01 -1.10 -4.82 121.20 118.44 3a7b s ILE 197 Ca 0.02 1.97 -0.17 0.00 0.00 0.00 0.00 60.65 62.47 3a7b s ILE 197 Cb 0.08 -4.27 -0.22 0.00 0.01 0.00 0.00 42.46 38.07 3a7b s ILE 197 CO 0.59 0.06 1.16 -0.09 0.00 0.00 0.00 174.94 176.66 3a7b h ARG 198 N 7.03 0.56 -3.19 2.79 2.43 -0.23 -3.43 114.38 120.33 3a7b h ARG 198 Ca -0.35 -0.58 -0.28 0.00 -0.81 0.00 0.00 59.98 57.96 3a7b h ARG 198 Cb 1.17 0.16 -0.34 0.00 -0.42 0.00 0.00 29.97 30.54 3a7b h ARG 198 CO 0.82 1.20 -0.64 -0.51 -1.51 0.00 0.00 179.97 179.34 3a7b s ASP 199 N -6.98 0.42 -0.17 -3.80 1.11 -0.47 -4.17 116.67 102.61 3a7b s ASP 199 Ca -0.12 0.28 -0.01 0.00 0.18 0.00 0.00 52.55 52.89 3a7b s ASP 199 Cb 0.05 0.19 0.04 0.00 1.07 0.00 0.00 42.92 44.28 3a7b s ASP 199 CO 0.87 -0.20 -0.04 -0.63 1.18 0.00 0.00 175.17 176.35 3a7b s ILE 200 N 1.79 0.99 0.03 0.77 1.01 -0.69 0.79 121.20 125.89 3a7b s ILE 200 Ca -0.02 -0.59 -0.19 0.00 0.00 0.00 0.00 60.65 59.85 3a7b s ILE 200 Cb -0.12 -1.21 -0.18 0.00 0.01 0.00 0.00 42.46 40.96 3a7b s ILE 200 CO -0.05 0.08 1.22 0.45 0.00 0.00 0.00 174.94 176.64 3a7b h HIS 201 N 8.15 0.60 -3.39 3.97 3.86 -0.81 -2.44 115.15 125.08 3a7b h HIS 201 Ca -0.22 -0.26 -0.55 0.00 -1.16 0.00 0.00 60.37 58.18 3a7b h HIS 201 Cb 1.11 -0.10 -0.39 0.00 1.06 0.00 0.00 27.41 29.10 3a7b h HIS 201 CO 0.43 1.01 -0.78 -1.58 0.86 0.00 0.00 177.93 177.87 3a7b s HIS 202 N -3.71 1.63 -0.28 2.45 5.65 0.16 -1.31 115.29 119.88 3a7b s HIS 202 Ca -0.13 -1.15 -0.05 0.00 0.25 0.00 0.00 55.06 53.98 3a7b s HIS 202 Cb 0.05 -1.27 0.02 0.00 -1.18 0.00 0.00 32.58 30.19 3a7b s HIS 202 CO 0.80 -0.64 0.03 -1.17 -0.65 0.00 0.00 174.74 173.10 3a7b s LEU 203 N 1.66 3.62 -0.23 8.88 2.96 -0.55 -1.21 118.68 133.81 3a7b s LEU 203 Ca -0.01 -0.80 -0.08 0.00 -0.22 0.00 0.00 54.13 53.02 3a7b s LEU 203 Cb -0.17 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 3a7b s LEU 203 CO -0.07 -0.17 0.09 -0.89 -1.32 0.00 0.00 176.35 173.99 3a7b s THR 204 N 1.42 4.74 -0.07 3.68 2.01 -0.12 -1.28 115.64 126.03 3a7b s THR 204 Ca 0.01 -0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.03 3a7b s THR 204 Cb -0.17 -3.19 -0.01 0.00 0.01 0.00 0.00 72.50 69.14 3a7b s THR 204 CO -0.00 0.37 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.30 3a7b s LEU 205 N 1.12 2.15 -0.34 4.42 1.43 0.04 -0.11 118.68 127.38 3a7b s LEU 205 Ca 0.05 -0.49 -0.05 0.00 -1.03 0.00 0.00 54.13 52.61 3a7b s LEU 205 Cb -0.14 -1.40 0.05 0.00 0.03 0.00 0.00 46.19 44.73 3a7b s LEU 205 CO 0.04 0.23 0.10 -1.00 0.23 0.00 0.00 176.35 175.95 3a7b s HIS 206 N -0.08 3.30 -0.04 0.29 3.76 -0.25 0.11 115.29 122.38 3a7b s HIS 206 Ca -0.06 -1.64 0.03 0.00 -0.15 0.00 0.00 55.06 53.24 3a7b s HIS 206 Cb -0.14 -2.40 0.01 0.00 1.11 0.00 0.00 32.58 31.16 3a7b s HIS 206 CO 0.04 -0.78 -0.11 -0.51 -0.85 0.00 0.00 174.74 172.53 3a7b s LEU 207 N 1.34 1.71 0.16 0.89 1.43 -0.96 -1.49 118.68 121.76 3a7b s LEU 207 Ca -0.01 -0.24 0.22 0.00 -1.03 0.00 0.00 54.13 53.07 3a7b s LEU 207 Cb -0.20 -0.69 -0.05 0.00 0.03 0.00 0.00 46.19 45.28 3a7b s LEU 207 CO 0.01 0.06 0.96 -1.54 0.23 0.00 0.00 176.35 176.07 3a7b n SER 208 N 3.51 0.76 -4.36 2.29 3.41 -1.26 -2.07 113.62 115.91 3a7b n SER 208 Ca -0.20 0.30 -0.18 0.00 -0.26 0.00 0.00 58.87 58.52 3a7b n SER 208 Cb 0.53 0.58 -0.10 0.00 -0.26 0.00 0.00 64.21 64.95 3a7b n SER 208 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3a7b s GLU 209 N -3.33 1.41 0.00 4.33 8.01 -1.26 -1.05 118.70 126.80 3a7b s GLU 209 Ca -0.02 -1.72 0.29 0.00 0.01 0.00 0.00 54.97 53.53 3a7b s GLU 209 Cb 0.10 -0.70 1.32 0.00 -4.31 0.00 0.00 34.13 30.54 3a7b s GLU 209 CO 0.80 -0.10 1.90 -1.13 0.01 0.00 0.00 175.26 176.74 3a7b n SER 210 N -0.48 1.01 -0.22 -0.19 3.41 -1.21 -4.59 113.62 111.36 3a7b n SER 210 Ca -0.04 -1.33 -0.06 0.00 -0.26 0.00 0.00 58.87 57.18 3a7b n SER 210 Cb 0.64 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.54 3a7b n SER 210 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a7b n ALA 211 N -0.22 -0.34 -0.55 7.33 0.00 -1.26 -2.06 120.51 123.42 3a7b n ALA 211 Ca 0.20 0.45 0.07 0.00 0.00 0.00 0.00 53.44 54.16 3a7b n ALA 211 Cb 0.28 -0.07 0.19 0.00 0.00 0.00 0.00 19.45 19.84 3a7b n ALA 211 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3a7b n PHE 212 N -4.64 0.61 -0.19 0.00 3.01 -1.26 -4.71 117.46 110.28 3a7b n PHE 212 Ca 0.01 -0.68 -0.00 0.00 1.01 0.00 0.00 57.45 57.78 3a7b n PHE 212 Cb 0.14 -0.15 0.09 0.00 -0.01 0.00 0.00 39.48 39.55 3a7b n PHE 212 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 3a7b h LEU 213 N 1.68 0.05 -0.59 4.37 5.85 -1.72 -1.74 115.31 123.22 3a7b h LEU 213 Ca 0.00 0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.92 3a7b h LEU 213 Cb 1.03 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 42.10 3a7b h LEU 213 CO 0.09 0.04 0.17 -0.07 -0.34 0.00 0.00 178.44 178.34 3a7b h LEU 214 N 0.28 0.10 -0.03 2.25 3.38 -1.84 0.24 115.31 119.70 3a7b h LEU 214 Ca 0.29 0.09 -0.26 0.00 0.09 0.00 0.00 57.88 58.09 3a7b h LEU 214 Cb 0.41 0.11 0.02 0.00 0.09 0.00 0.00 40.66 41.28 3a7b h LEU 214 CO -0.36 0.07 -1.07 -0.33 0.09 0.00 0.00 178.44 176.84 3a7b h GLU 215 N 0.32 0.57 -0.27 1.13 5.08 -1.86 -1.14 114.58 118.42 3a7b h GLU 215 Ca 0.30 -0.66 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 3a7b h GLU 215 Cb 0.41 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3a7b h GLU 215 CO -0.35 1.26 0.14 0.82 -1.00 0.00 0.00 179.01 179.89 3a7b h ILE 216 N 0.30 1.13 -0.51 3.13 2.04 -1.00 -1.63 117.51 120.98 3a7b h ILE 216 Ca -0.13 -0.36 0.08 0.00 1.00 0.00 0.00 64.86 65.45 3a7b h ILE 216 Cb 1.72 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 38.61 3a7b h ILE 216 CO 0.20 0.13 0.14 0.15 0.00 0.00 0.00 178.15 178.77 3a7b h PHE 217 N 0.32 0.24 -0.84 1.37 3.57 -0.53 -0.96 116.94 120.12 3a7b h PHE 217 Ca 0.09 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.72 3a7b h PHE 217 Cb 0.08 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.73 3a7b h PHE 217 CO -0.03 0.05 0.54 0.00 -2.23 0.00 0.00 178.31 176.64 3a7b h ALA 218 N 1.37 1.72 0.00 2.41 0.00 -0.64 -2.48 119.26 121.64 3a7b h ALA 218 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3a7b h ALA 218 Cb 0.31 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3a7b h ALA 218 CO -0.29 0.10 0.00 -0.25 0.00 0.00 0.00 179.25 178.81 3a7b n ASP 219 N -4.52 0.00 -0.17 0.00 8.00 -0.38 -3.54 116.55 115.94 3a7b n ASP 219 Ca 0.14 0.17 0.02 0.00 0.71 0.00 0.00 54.79 55.83 3a7b n ASP 219 Cb 0.33 -0.38 0.03 0.00 -0.02 0.00 0.00 41.12 41.09 3a7b n ASP 219 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3a7b n ILE 220 N -1.38 0.52 0.13 0.53 -5.35 -0.94 -3.36 119.36 109.51 3a7b n ILE 220 Ca 0.09 -0.76 0.19 0.00 -0.27 0.00 0.00 62.75 62.00 3a7b n ILE 220 Cb 0.24 0.78 0.77 0.00 -1.74 0.00 0.00 39.64 39.69 3a7b n ILE 220 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3a7b h LEU 221 N 0.67 0.00 0.00 7.28 3.38 -1.60 -1.64 115.31 123.40 3a7b h LEU 221 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a7b h LEU 221 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3a7b h LEU 221 CO 0.00 0.00 -1.21 -1.20 0.09 0.00 0.00 178.44 176.12 3a7b n SER 222 N -3.82 0.78 -0.04 -0.43 7.64 -1.26 -3.68 113.62 112.80 3a7b n SER 222 Ca 0.05 -0.76 -0.05 0.00 1.01 0.00 0.00 58.87 59.12 3a7b n SER 222 Cb 0.49 1.23 -0.05 0.00 -1.01 0.00 0.00 64.21 64.87 3a7b n SER 222 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3a7b n SER 223 N -1.66 3.28 -4.64 6.43 3.41 -0.68 -4.57 113.62 115.18 3a7b n SER 223 Ca 0.02 -0.03 -0.42 0.00 -0.26 0.00 0.00 58.87 58.18 3a7b n SER 223 Cb 0.38 0.21 -0.04 0.00 -0.26 0.00 0.00 64.21 64.50 3a7b n SER 223 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3a7b s VAL 224 N -2.18 4.80 -0.15 -3.33 1.01 -0.83 -1.70 120.40 118.02 3a7b s VAL 224 Ca -0.08 1.57 0.17 0.00 0.00 0.00 0.00 61.98 63.63 3a7b s VAL 224 Cb 0.03 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 3a7b s VAL 224 CO 0.24 -0.13 1.07 0.03 0.00 0.00 0.00 175.10 176.31 3a7b h ARG 225 N 7.73 0.00 -2.47 2.72 2.47 -1.51 -2.87 114.38 120.46 3a7b h ARG 225 Ca -0.23 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.19 3a7b h ARG 225 Cb 1.09 0.00 -0.35 0.00 -1.65 0.00 0.00 29.97 29.05 3a7b h ARG 225 CO 0.89 0.33 -0.62 -0.47 0.56 0.00 0.00 179.97 180.66 3a7b s TYR 226 N -2.99 -0.32 -0.15 3.04 6.04 -0.43 -0.10 117.35 122.45 3a7b s TYR 226 Ca -0.00 0.26 -0.05 0.00 0.04 0.00 0.00 57.07 57.31 3a7b s TYR 226 Cb 0.08 -0.34 -0.04 0.00 -1.04 0.00 0.00 41.96 40.63 3a7b s TYR 226 CO 0.78 -0.62 0.03 -1.17 -1.54 0.00 0.00 175.55 173.03 3a7b s LEU 227 N 2.34 3.64 -0.12 6.97 2.96 -0.39 -1.48 118.68 132.60 3a7b s LEU 227 Ca 0.07 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 3a7b s LEU 227 Cb -0.16 -1.89 0.02 0.00 0.50 0.00 0.00 46.19 44.67 3a7b s LEU 227 CO -0.13 0.23 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.33 3a7b s GLU 228 N 0.04 1.82 -0.18 1.98 2.12 -0.40 -0.08 118.70 124.00 3a7b s GLU 228 Ca 0.04 -0.38 -0.05 0.00 0.36 0.00 0.00 54.97 54.94 3a7b s GLU 228 Cb -0.13 -1.74 -0.03 0.00 0.26 0.00 0.00 34.13 32.49 3a7b s GLU 228 CO 0.01 -0.21 -0.01 -0.51 -0.54 0.00 0.00 175.26 174.01 3a7b s LEU 229 N 1.49 3.33 -0.00 2.70 2.01 0.12 -0.78 118.68 127.54 3a7b s LEU 229 Ca 0.02 -0.14 0.05 0.00 0.01 0.00 0.00 54.13 54.07 3a7b s LEU 229 Cb -0.13 -1.83 -0.03 0.00 0.01 0.00 0.00 46.19 44.21 3a7b s LEU 229 CO -0.07 0.12 -0.13 -0.13 1.01 0.00 0.00 176.35 177.14 3a7b s ARG 230 N 0.69 2.38 -1.60 1.70 0.52 0.12 -1.02 118.95 121.74 3a7b s ARG 230 Ca -0.00 -0.79 -0.14 0.00 -0.52 0.00 0.00 55.73 54.27 3a7b s ARG 230 Cb -0.14 -2.36 0.11 0.00 0.52 0.00 0.00 34.95 33.08 3a7b s ARG 230 CO 0.02 0.59 0.80 -0.25 0.02 0.00 0.00 175.30 176.49 3a7b n ASP 231 N 1.84 -3.36 -4.67 0.23 8.00 -1.25 -2.28 116.55 115.06 3a7b n ASP 231 Ca -0.16 -0.93 -0.35 0.00 0.71 0.00 0.00 54.79 54.06 3a7b n ASP 231 Cb 0.52 -3.20 -0.09 0.00 -0.02 0.00 0.00 41.12 38.33 3a7b n ASP 231 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3a7b s THR 232 N -3.39 4.96 -0.40 -3.53 2.01 -0.88 -4.04 115.64 110.37 3a7b s THR 232 Ca 0.60 0.02 -0.27 0.00 0.31 0.00 0.00 61.69 62.36 3a7b s THR 232 Cb -0.32 -3.23 0.02 0.00 0.01 0.00 0.00 72.50 68.98 3a7b s THR 232 CO 0.89 0.47 1.00 0.21 -0.69 0.00 0.00 174.62 176.50 3a7b s ASN 233 N 0.28 6.68 0.00 3.53 3.04 -0.21 -2.27 114.94 125.98 3a7b s ASN 233 Ca 0.05 0.55 0.13 0.00 0.04 0.00 0.00 52.86 53.63 3a7b s ASN 233 Cb -0.12 -2.50 0.28 0.00 -1.54 0.00 0.00 41.25 37.37 3a7b s ASN 233 CO -0.00 -0.99 1.18 0.18 -3.04 0.00 0.00 177.10 174.43 3a7b n LEU 234 N 7.11 2.77 0.01 3.21 4.77 -0.16 -3.31 117.00 131.40 3a7b n LEU 234 Ca 0.09 -1.70 0.22 0.00 -0.03 0.00 0.00 56.01 54.59 3a7b n LEU 234 Cb 0.48 -0.19 0.73 0.00 -2.33 0.00 0.00 43.42 42.11 3a7b n LEU 234 CO 0.63 0.65 1.20 0.00 -1.33 0.00 0.00 177.39 178.54 3a7b h ALA 235 N 2.41 2.39 -0.22 -1.18 0.00 -1.66 -0.41 119.26 120.60 3a7b h ALA 235 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3a7b h ALA 235 Cb 0.70 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 3a7b h ALA 235 CO 0.00 -0.74 -0.06 0.54 0.00 0.00 0.00 179.25 178.98 3a7b n ARG 236 N -4.05 2.14 -2.28 0.00 1.74 -1.26 -4.58 116.66 108.37 3a7b n ARG 236 Ca 0.10 -2.94 -0.37 0.00 -0.77 0.00 0.00 57.85 53.87 3a7b n ARG 236 Cb 0.68 -1.75 -0.01 0.00 -1.02 0.00 0.00 32.46 30.36 3a7b n ARG 236 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3a7b s PHE 237 N -3.01 2.95 0.02 -1.55 5.36 -0.16 -5.02 117.98 116.57 3a7b s PHE 237 Ca 0.41 1.55 0.01 0.00 -0.96 0.00 0.00 56.93 57.93 3a7b s PHE 237 Cb 0.35 -3.37 -0.02 0.00 -0.34 0.00 0.00 43.02 39.65 3a7b s PHE 237 CO 0.03 -1.40 -0.04 -0.65 -1.46 0.00 0.00 175.22 171.70 3a7b s GLN 238 N -2.57 0.34 0.08 10.12 -0.21 -1.26 -4.70 119.66 121.45 3a7b s GLN 238 Ca 0.61 -0.56 0.05 0.00 0.02 0.00 0.00 55.36 55.48 3a7b s GLN 238 Cb -0.29 -0.03 -0.04 0.00 1.00 0.00 0.00 33.01 33.65 3a7b s GLN 238 CO 0.35 -0.01 -0.01 0.12 -2.12 0.00 0.00 175.29 173.62 3a7b s PHE 239 N -1.22 2.97 -0.18 0.91 5.36 -1.26 -4.97 117.98 119.59 3a7b s PHE 239 Ca -0.12 -0.03 -0.15 0.00 -0.96 0.00 0.00 56.93 55.67 3a7b s PHE 239 Cb -0.09 -1.54 0.05 0.00 -0.34 0.00 0.00 43.02 41.10 3a7b s PHE 239 CO -0.00 0.47 0.47 -1.54 -1.46 0.00 0.00 175.22 173.15 3a7b s SER 240 N -2.21 -0.50 0.43 6.13 1.04 -1.26 -5.14 113.70 112.18 3a7b s SER 240 Ca 0.25 0.95 -0.22 0.00 0.48 0.00 0.00 55.95 57.41 3a7b s SER 240 Cb -0.12 0.94 -0.13 0.00 0.10 0.00 0.00 66.02 66.82 3a7b s SER 240 CO 0.17 -0.17 0.43 -2.65 0.98 0.00 0.00 173.24 172.00 3a7b n PRO 241 N 3.06 0.42 -3.33 4.02 -0.02 -1.26 -4.92 135.00 132.97 3a7b n PRO 241 Ca -0.15 0.16 -0.38 0.00 -2.02 0.00 0.00 63.50 61.11 3a7b n PRO 241 Cb 0.57 -1.39 -0.06 0.00 -0.02 0.00 0.00 33.50 32.59 3a7b n PRO 241 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3a7b s LEU 242 N 2.34 4.25 -0.92 2.45 1.43 -1.26 -4.97 118.68 122.00 3a7b s LEU 242 Ca 0.63 0.75 -0.21 0.00 -1.03 0.00 0.00 54.13 54.26 3a7b s LEU 242 Cb -0.60 -2.66 -0.12 0.00 0.03 0.00 0.00 46.19 42.84 3a7b s LEU 242 CO 0.59 -0.02 1.95 -0.81 0.23 0.00 0.00 176.35 178.30 3a7b n PRO 243 N 3.85 1.71 -4.31 1.29 -0.04 -1.26 -4.82 135.00 131.42 3a7b n PRO 243 Ca -0.07 -2.06 -0.16 0.00 -0.04 0.00 0.00 63.50 61.16 3a7b n PRO 243 Cb 0.51 -3.09 -0.10 0.00 -0.04 0.00 0.00 33.50 30.78 3a7b n PRO 243 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3a7b s VAL 244 N 5.65 0.55 0.21 0.52 -7.23 -1.26 -5.15 120.40 113.69 3a7b s VAL 244 Ca 0.58 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.62 3a7b s VAL 244 Cb 0.12 -2.61 -0.07 0.00 0.56 0.00 0.00 36.38 34.37 3a7b s VAL 244 CO 0.10 -0.02 0.58 -1.81 -0.31 0.00 0.00 175.10 173.64 3a7b s ASP 245 N -3.30 6.74 -0.70 4.85 1.11 -1.26 -4.97 116.67 119.13 3a7b s ASP 245 Ca 0.37 1.04 -0.26 0.00 0.18 0.00 0.00 52.55 53.89 3a7b s ASP 245 Cb 0.08 -2.28 -0.05 0.00 1.07 0.00 0.00 42.92 41.74 3a7b s ASP 245 CO 0.13 -0.02 2.04 -1.61 1.18 0.00 0.00 175.17 176.90 3a7b s GLU 246 N -2.47 2.39 0.14 8.23 2.02 -1.26 -4.92 118.70 122.84 3a7b s GLU 246 Ca 0.44 0.46 0.11 0.00 0.02 0.00 0.00 54.97 56.00 3a7b s GLU 246 Cb -0.13 -4.67 -0.04 0.00 0.10 0.00 0.00 34.13 29.39 3a7b s GLU 246 CO 0.20 -3.23 -0.25 0.08 0.02 0.00 0.00 175.26 172.08 3a7b s VAL 247 N 10.59 2.34 -0.22 2.63 1.01 -1.26 -5.10 120.40 130.39 3a7b s VAL 247 Ca 0.76 -1.78 -0.29 0.00 0.00 0.00 0.00 61.98 60.67 3a7b s VAL 247 Cb -0.12 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 3a7b s VAL 247 CO 0.14 0.05 1.25 -0.55 0.00 0.00 0.00 175.10 175.99 3a7b s SER 248 N -2.18 6.87 0.08 3.32 0.15 -1.26 -5.00 113.70 115.68 3a7b s SER 248 Ca 0.16 1.48 -0.23 0.00 0.70 0.00 0.00 55.95 58.05 3a7b s SER 248 Cb -0.10 -2.54 -0.07 0.00 -1.71 0.00 0.00 66.02 61.61 3a7b s SER 248 CO 0.07 -0.86 0.69 -0.55 1.20 0.00 0.00 173.24 173.79 3a7b s SER 249 N 2.16 7.20 0.00 5.45 0.15 -1.26 -4.81 113.70 122.60 3a7b s SER 249 Ca 0.54 1.42 0.09 0.00 0.70 0.00 0.00 55.95 58.70 3a7b s SER 249 Cb -0.19 -2.43 0.28 0.00 -1.71 0.00 0.00 66.02 61.96 3a7b s SER 249 CO 0.17 0.16 1.22 -0.81 1.20 0.00 0.00 173.24 175.17 3a7b n PRO 250 N 2.11 1.55 -1.94 5.44 -0.04 -1.24 -4.50 135.00 136.38 3a7b n PRO 250 Ca -0.06 -0.84 -0.42 0.00 -0.04 0.00 0.00 63.50 62.13 3a7b n PRO 250 Cb 0.50 -1.20 -0.03 0.00 -0.04 0.00 0.00 33.50 32.73 3a7b n PRO 250 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 3a7b s MET 251 N -1.70 4.19 -0.05 0.54 1.75 -1.08 -4.27 119.30 118.68 3a7b s MET 251 Ca 0.17 2.30 0.07 0.00 -1.25 0.00 0.00 55.69 56.98 3a7b s MET 251 Cb 0.09 -3.74 -0.10 0.00 2.84 0.00 0.00 34.83 33.92 3a7b s MET 251 CO 0.12 -0.77 0.08 1.63 -0.65 0.00 0.00 175.02 175.42 3a7b n LYS 252 N 6.14 1.92 -4.37 4.11 4.76 0.86 -2.49 118.16 129.08 3a7b n LYS 252 Ca 0.16 -0.03 -0.21 0.00 -2.87 0.00 0.00 58.31 55.37 3a7b n LYS 252 Cb 0.41 -1.18 -0.16 0.00 -1.84 0.00 0.00 35.03 32.26 3a7b n LYS 252 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3a7b s LYS 253 N -2.30 1.00 -0.14 1.97 2.20 -0.98 -1.12 119.74 120.36 3a7b s LYS 253 Ca -0.03 -0.28 -0.00 0.00 -0.36 0.00 0.00 55.97 55.29 3a7b s LYS 253 Cb 0.03 -0.92 0.03 0.00 -1.51 0.00 0.00 37.83 35.46 3a7b s LYS 253 CO 0.30 0.08 -0.08 -1.17 -0.36 0.00 0.00 175.35 174.12 3a7b s LEU 254 N 0.33 1.49 -0.07 5.43 2.96 -0.63 -1.26 118.68 126.93 3a7b s LEU 254 Ca -0.05 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 53.40 3a7b s LEU 254 Cb -0.10 -0.95 0.00 0.00 0.50 0.00 0.00 46.19 45.64 3a7b s LEU 254 CO 0.01 -0.13 -0.19 0.00 -1.32 0.00 0.00 176.35 174.71 3a7b s ALA 255 N 1.62 1.78 -0.22 5.97 0.00 0.89 -1.36 121.76 130.44 3a7b s ALA 255 Ca 0.03 -0.77 -0.05 0.00 0.00 0.00 0.00 51.96 51.17 3a7b s ALA 255 Cb -0.14 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 3a7b s ALA 255 CO -0.09 0.26 -0.01 -0.06 0.00 0.00 0.00 175.76 175.87 3a7b s PHE 256 N 0.26 3.00 0.00 0.00 0.40 0.12 0.15 117.98 121.91 3a7b s PHE 256 Ca -0.11 -0.74 0.00 0.00 -0.60 0.00 0.00 56.93 55.48 3a7b s PHE 256 Cb -0.15 -2.13 0.00 0.00 0.51 0.00 0.00 43.02 41.25 3a7b s PHE 256 CO 0.05 -0.45 0.00 0.54 0.70 0.00 0.00 175.22 176.06 3a7b n ARG 257 N 4.74 0.00 -2.81 0.44 5.12 -0.19 -0.80 116.66 123.16 3a7b n ARG 257 Ca -0.18 0.25 -0.30 0.00 -1.93 0.00 0.00 57.85 55.69 3a7b n ARG 257 Cb 0.51 -0.71 -0.02 0.00 -1.16 0.00 0.00 32.46 31.08 3a7b n ARG 257 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3a7b n GLY 258 N 1.99 5.76 3.88 -0.13 0.00 -1.26 -0.19 105.19 115.23 3a7b n GLY 258 Ca 0.00 -2.74 -0.30 0.00 0.00 0.00 0.00 46.02 42.98 3a7b n GLY 258 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a7b s SER 259 N -3.01 6.48 -0.29 1.61 0.01 -1.26 -3.79 113.70 113.45 3a7b s SER 259 Ca 0.47 1.09 -0.02 0.00 1.31 0.00 0.00 55.95 58.80 3a7b s SER 259 Cb 0.28 -2.31 0.04 0.00 0.21 0.00 0.00 66.02 64.24 3a7b s SER 259 CO -0.15 -0.42 -0.00 -0.69 0.41 0.00 0.00 173.24 172.39 3a7b s VAL 260 N -2.42 3.04 0.42 3.43 1.01 -0.96 -0.21 120.40 124.72 3a7b s VAL 260 Ca 0.50 -1.30 0.07 0.00 0.00 0.00 0.00 61.98 61.26 3a7b s VAL 260 Cb -0.10 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 3a7b s VAL 260 CO 0.33 -0.06 0.19 -0.76 0.00 0.00 0.00 175.10 174.81 3a7b s LEU 261 N 1.28 3.08 0.06 3.92 1.43 1.00 -0.99 118.68 128.45 3a7b s LEU 261 Ca -0.04 -1.10 0.01 0.00 -1.03 0.00 0.00 54.13 51.97 3a7b s LEU 261 Cb -0.19 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 3a7b s LEU 261 CO -0.01 -0.59 -0.05 0.42 0.23 0.00 0.00 176.35 176.35 3a7b s THR 262 N -2.62 0.43 0.37 5.49 -4.23 -1.26 -1.68 115.64 112.15 3a7b s THR 262 Ca 0.40 -1.66 0.08 0.00 -1.18 0.00 0.00 61.69 59.33 3a7b s THR 262 Cb 0.03 -1.32 0.31 0.00 1.34 0.00 0.00 72.50 72.87 3a7b s THR 262 CO 0.22 -0.81 1.92 -0.78 -0.54 0.00 0.00 174.62 174.63 3a7b h ASP 263 N 3.43 0.62 -0.12 3.99 3.58 -1.85 0.16 116.42 126.23 3a7b h ASP 263 Ca -0.34 0.02 -0.23 0.00 0.42 0.00 0.00 57.03 56.90 3a7b h ASP 263 Cb 1.17 -0.11 0.01 0.00 1.72 0.00 0.00 39.33 42.12 3a7b h ASP 263 CO 0.59 0.36 -0.80 -0.08 -2.88 0.00 0.00 179.24 176.44 3a7b h GLU 264 N 0.68 0.77 0.03 0.28 4.81 -1.95 -3.07 114.58 116.14 3a7b h GLU 264 Ca 0.37 -0.65 -0.22 0.00 -0.13 0.00 0.00 59.36 58.73 3a7b h GLU 264 Cb 0.50 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 3a7b h GLU 264 CO -0.14 1.25 -0.97 0.66 -0.73 0.00 0.00 179.01 179.08 3a7b h SER 265 N 0.52 0.40 -0.78 1.04 4.64 -1.67 -2.98 113.55 114.73 3a7b h SER 265 Ca -0.06 -0.34 0.10 0.00 -0.47 0.00 0.00 61.79 61.02 3a7b h SER 265 Cb 1.43 -0.12 -0.07 0.00 -0.31 0.00 0.00 62.40 63.32 3a7b h SER 265 CO 0.16 1.17 0.42 0.15 -0.87 0.00 0.00 176.83 177.86 3a7b h PHE 266 N 0.15 0.76 -0.26 4.77 3.57 -0.74 0.91 116.94 126.11 3a7b h PHE 266 Ca -0.07 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 3a7b h PHE 266 Cb 1.63 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 40.13 3a7b h PHE 266 CO 0.05 0.29 -0.21 -0.97 -2.23 0.00 0.00 178.31 175.24 3a7b h ASN 267 N 0.70 0.46 -0.52 0.41 -0.73 -1.53 -0.93 115.58 113.44 3a7b h ASN 267 Ca 0.38 -0.14 -0.06 0.00 1.87 0.00 0.00 56.30 58.34 3a7b h ASN 267 Cb 0.38 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 38.82 3a7b h ASN 267 CO -0.26 0.68 0.10 -0.33 -0.37 0.00 0.00 177.43 177.24 3a7b h GLU 268 N 0.42 0.91 -0.20 6.67 4.39 -0.84 -2.66 114.58 123.28 3a7b h GLU 268 Ca 0.07 -0.22 -0.11 0.00 0.34 0.00 0.00 59.36 59.45 3a7b h GLU 268 Cb 0.60 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 3a7b h GLU 268 CO 0.04 0.84 -0.33 -0.07 -1.16 0.00 0.00 179.01 178.33 3a7b h LEU 269 N 0.86 0.42 -1.88 1.33 3.38 -0.08 -2.95 115.31 116.38 3a7b h LEU 269 Ca 0.18 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3a7b h LEU 269 Cb 0.37 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3a7b h LEU 269 CO 0.01 0.73 -0.12 -0.07 0.09 0.00 0.00 178.44 179.07 3a7b h LEU 270 N 0.35 0.00 -2.00 1.67 3.38 -0.83 -2.23 115.31 115.65 3a7b h LEU 270 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3a7b h LEU 270 Cb 0.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 3a7b h LEU 270 CO 0.06 0.12 -0.09 0.11 0.09 0.00 0.00 178.44 178.73 3a7b h LYS 271 N 0.00 0.00 0.00 1.13 1.57 -1.47 -1.80 116.57 116.01 3a7b h LYS 271 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3a7b h LYS 271 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3a7b h LYS 271 CO 0.02 0.09 0.00 1.28 -0.57 0.00 0.00 179.45 180.27 3a7b n LEU 272 N -3.57 0.42 0.00 2.94 4.77 -0.84 -2.44 117.00 118.28 3a7b n LEU 272 Ca -0.02 0.64 0.08 0.00 -0.03 0.00 0.00 56.01 56.67 3a7b n LEU 272 Cb 0.22 -0.62 0.34 0.00 -2.33 0.00 0.00 43.42 41.03 3a7b n LEU 272 CO 0.29 -0.60 0.74 0.18 -1.33 0.00 0.00 177.39 176.67 3a7b n LEU 273 N -2.00 0.00 0.00 2.23 4.77 -0.68 -2.09 117.00 119.23 3a7b n LEU 273 Ca 0.01 0.48 0.13 0.00 -0.03 0.00 0.00 56.01 56.59 3a7b n LEU 273 Cb 0.13 -0.48 0.65 0.00 -2.33 0.00 0.00 43.42 41.40 3a7b n LEU 273 CO 0.13 -0.22 0.92 -2.11 -1.33 0.00 0.00 177.39 174.78 3a7b n ARG 274 N -1.48 0.39 -0.00 3.23 1.85 -1.02 -2.65 116.66 116.99 3a7b n ARG 274 Ca 0.04 0.04 0.04 0.00 -1.00 0.00 0.00 57.85 56.98 3a7b n ARG 274 Cb 0.18 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.03 3a7b n ARG 274 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3a7b n TYR 275 N -1.26 0.00 -3.11 2.89 4.02 -0.89 -4.67 117.16 114.13 3a7b n TYR 275 Ca 0.13 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.77 3a7b n TYR 275 Cb 0.19 -0.01 -0.05 0.00 -0.02 0.00 0.00 39.34 39.45 3a7b n TYR 275 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 3a7b n ILE 276 N -1.25 1.94 0.22 -0.72 -5.35 -1.08 -4.37 119.36 108.74 3a7b n ILE 276 Ca 0.02 -5.17 0.18 0.00 -0.27 0.00 0.00 62.75 57.50 3a7b n ILE 276 Cb 0.15 -1.36 0.83 0.00 -1.74 0.00 0.00 39.64 37.52 3a7b n ILE 276 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3a7b h LEU 277 N 3.32 0.00 -2.63 7.28 3.38 -1.83 -0.18 115.31 124.65 3a7b h LEU 277 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3a7b h LEU 277 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3a7b h LEU 277 CO 0.73 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.64 3a7b n GLU 278 N -3.45 2.70 -1.70 1.13 -0.58 -1.26 -4.43 120.64 113.04 3a7b n GLU 278 Ca 0.02 -2.56 -0.43 0.00 -0.42 0.00 0.00 57.16 53.76 3a7b n GLU 278 Cb 0.42 -1.57 -0.03 0.00 -0.57 0.00 0.00 31.44 29.69 3a7b n GLU 278 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3a7b n LEU 279 N 1.55 3.70 0.00 -4.62 -0.00 -0.08 -4.51 117.00 113.03 3a7b n LEU 279 Ca 0.24 1.08 0.00 0.00 -0.00 0.00 0.00 56.01 57.33 3a7b n LEU 279 Cb 0.61 -1.52 0.00 0.00 -0.00 0.00 0.00 43.42 42.51 3a7b n LEU 279 CO 0.17 0.00 0.07 -1.54 -0.00 0.00 0.00 177.39 176.09 3a7b n SER 280 N 3.58 0.28 -3.74 1.96 3.41 -0.28 -2.86 113.62 115.97 3a7b n SER 280 Ca 0.16 -0.70 -0.12 0.00 -0.26 0.00 0.00 58.87 57.95 3a7b n SER 280 Cb 0.33 0.19 -0.13 0.00 -0.26 0.00 0.00 64.21 64.34 3a7b n SER 280 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3a7b s GLU 281 N -0.19 0.23 -0.04 4.33 2.12 -0.82 -1.11 118.70 123.23 3a7b s GLU 281 Ca 0.00 0.48 0.02 0.00 0.36 0.00 0.00 54.97 55.83 3a7b s GLU 281 Cb 0.00 -0.05 0.01 0.00 0.26 0.00 0.00 34.13 34.35 3a7b s GLU 281 CO 0.00 -0.13 -0.07 0.08 -0.54 0.00 0.00 175.26 174.60 3a7b s VAL 282 N 0.96 0.66 0.08 3.70 1.01 -0.83 -1.60 120.40 124.39 3a7b s VAL 282 Ca -0.07 -0.24 0.09 0.00 0.00 0.00 0.00 61.98 61.77 3a7b s VAL 282 Cb -0.08 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 3a7b s VAL 282 CO -0.06 0.24 -0.25 -1.61 0.00 0.00 0.00 175.10 173.41 3a7b s GLU 283 N 0.60 1.50 -0.17 2.72 2.02 -0.46 -0.73 118.70 124.18 3a7b s GLU 283 Ca -0.09 -1.18 -0.03 0.00 0.02 0.00 0.00 54.97 53.69 3a7b s GLU 283 Cb -0.12 -1.79 0.06 0.00 0.10 0.00 0.00 34.13 32.37 3a7b s GLU 283 CO 0.01 0.44 0.05 -0.06 0.02 0.00 0.00 175.26 175.72 3a7b s PHE 284 N -0.94 0.62 0.00 1.61 0.08 -0.29 -0.70 117.98 118.35 3a7b s PHE 284 Ca 0.11 -0.52 0.00 0.00 0.12 0.00 0.00 56.93 56.64 3a7b s PHE 284 Cb -0.10 -0.85 0.00 0.00 -0.57 0.00 0.00 43.02 41.50 3a7b s PHE 284 CO 0.04 -0.52 0.00 -0.25 -0.10 0.00 0.00 175.22 174.38 3a7b n ASP 285 N 5.16 0.00 -2.91 1.36 8.00 0.02 -1.20 116.55 126.98 3a7b n ASP 285 Ca -0.08 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.30 3a7b n ASP 285 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.56 3a7b n ASP 285 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3a7b n ASP 286 N 0.00 3.11 -4.91 -2.24 8.00 0.73 -4.23 116.55 117.02 3a7b n ASP 286 Ca 0.00 -2.14 -0.28 0.00 0.71 0.00 0.00 54.79 53.08 3a7b n ASP 286 Cb 0.00 -0.83 -0.03 0.00 -0.02 0.00 0.00 41.12 40.24 3a7b n ASP 286 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a7b s THR 288 N -2.05 2.78 -0.24 0.00 2.01 0.71 -1.55 115.64 117.29 3a7b s THR 288 Ca 0.43 -1.16 -0.03 0.00 0.31 0.00 0.00 61.69 61.24 3a7b s THR 288 Cb -0.11 -2.16 0.08 0.00 0.01 0.00 0.00 72.50 70.33 3a7b s THR 288 CO 0.30 0.36 0.09 -0.22 -0.69 0.00 0.00 174.62 174.46 3a7b s LEU 289 N -1.36 1.00 -0.49 4.42 2.96 -0.52 -0.00 118.68 124.69 3a7b s LEU 289 Ca 0.14 -1.09 0.06 0.00 -0.22 0.00 0.00 54.13 53.02 3a7b s LEU 289 Cb -0.10 -0.49 0.38 0.00 0.50 0.00 0.00 46.19 46.48 3a7b s LEU 289 CO 0.05 -0.38 1.01 -0.46 -1.32 0.00 0.00 176.35 175.24 3a7b n ASN 290 N 5.13 4.15 -4.45 3.68 2.04 -0.67 -3.88 115.26 121.25 3a7b n ASN 290 Ca -0.06 -3.60 -0.46 0.00 -0.44 0.00 0.00 54.58 50.02 3a7b n ASN 290 Cb 0.45 -0.52 -0.10 0.00 -2.53 0.00 0.00 39.78 37.08 3a7b n ASN 290 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3a7b n GLY 291 N -0.30 0.03 0.02 4.83 0.00 -1.26 -4.73 105.19 103.78 3a7b n GLY 291 Ca 0.33 0.98 -0.00 0.00 0.00 0.00 0.00 46.02 47.32 3a7b n GLY 291 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a7b h LEU 292 N 13.08 0.00 -0.32 0.99 3.38 -1.96 -3.42 115.31 127.07 3a7b h LEU 292 Ca -0.17 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.64 3a7b h LEU 292 Cb 1.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 3a7b h LEU 292 CO 1.17 0.18 -0.77 1.23 0.09 0.00 0.00 178.44 180.35 3a7b h GLY 293 N -0.33 0.00 -4.22 0.83 0.00 -2.03 -3.50 103.07 93.83 3a7b h GLY 293 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a7b h GLY 293 CO 0.00 0.00 -0.82 1.22 0.00 0.00 0.00 176.54 176.94 3a7b n ASP 294 N -3.49 -8.29 -4.23 0.19 8.00 -1.26 -4.95 116.55 102.53 3a7b n ASP 294 Ca -0.00 1.52 -0.36 0.00 0.71 0.00 0.00 54.79 56.66 3a7b n ASP 294 Cb 0.78 -4.50 0.06 0.00 -0.02 0.00 0.00 41.12 37.44 3a7b n ASP 294 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3a7b n PHE 295 N 1.53 -3.14 0.02 1.24 3.72 -1.26 -5.01 117.46 114.56 3a7b n PHE 295 Ca 0.00 0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 3a7b n PHE 295 Cb 0.00 -1.65 0.00 0.00 -0.94 0.00 0.00 39.48 36.89 3a7b n PHE 295 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3a7b n ASN 296 N 1.43 0.00 -4.53 4.37 4.13 -1.26 -5.03 115.26 114.36 3a7b n ASN 296 Ca 0.04 0.05 -0.33 0.00 1.68 0.00 0.00 54.58 56.02 3a7b n ASN 296 Cb 0.53 0.03 -0.09 0.00 -1.54 0.00 0.00 39.78 38.72 3a7b n ASN 296 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 3a7b n PRO 297 N -2.68 0.59 0.20 3.52 -0.04 -1.26 -4.78 135.00 130.55 3a7b n PRO 297 Ca 0.00 -0.14 0.10 0.00 -0.04 0.00 0.00 63.50 63.42 3a7b n PRO 297 Cb 0.07 -2.75 0.54 0.00 -0.04 0.00 0.00 33.50 31.31 3a7b n PRO 297 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3a7b h SER 298 N 15.76 0.00 0.26 3.54 0.87 -1.96 -1.37 113.55 130.65 3a7b h SER 298 Ca -0.13 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.09 3a7b h SER 298 Cb 1.23 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.19 3a7b h SER 298 CO 1.24 0.00 -1.68 -0.33 -0.53 0.00 0.00 176.83 175.52 3a7b h GLU 299 N 0.00 0.37 -0.92 2.24 4.39 -2.06 -3.29 114.58 115.31 3a7b h GLU 299 Ca 0.00 -0.63 -0.15 0.00 0.34 0.00 0.00 59.36 58.92 3a7b h GLU 299 Cb 0.44 0.23 -0.09 0.00 -0.10 0.00 0.00 28.75 29.23 3a7b h GLU 299 CO 0.00 1.27 0.19 -1.13 -1.16 0.00 0.00 179.01 178.18 3a7b n SER 300 N -3.56 3.31 -4.34 1.42 3.41 -0.53 -4.83 113.62 108.51 3a7b n SER 300 Ca -0.22 -2.63 -0.36 0.00 -0.26 0.00 0.00 58.87 55.39 3a7b n SER 300 Cb 1.07 -0.63 -0.13 0.00 -0.26 0.00 0.00 64.21 64.26 3a7b n SER 300 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3a7b s ASP 301 N -0.20 4.90 -0.46 4.04 2.15 -1.17 -4.96 116.67 120.96 3a7b s ASP 301 Ca 0.26 -0.58 -0.24 0.00 0.43 0.00 0.00 52.55 52.42 3a7b s ASP 301 Cb 0.21 -1.84 0.03 0.00 -0.30 0.00 0.00 42.92 41.02 3a7b s ASP 301 CO 0.06 -0.13 0.85 0.54 -0.17 0.00 0.00 175.17 176.33 3a7b s VAL 302 N 1.50 4.56 0.41 1.11 0.11 -1.26 -5.01 120.40 121.81 3a7b s VAL 302 Ca 0.04 0.53 0.07 0.00 -2.93 0.00 0.00 61.98 59.68 3a7b s VAL 302 Cb -0.16 -4.39 -0.08 0.00 -1.53 0.00 0.00 36.38 30.23 3a7b s VAL 302 CO 0.01 -0.80 0.03 0.68 -3.33 0.00 0.00 175.10 171.69 3a7b s VAL 303 N 3.52 2.03 -0.90 2.04 -7.23 -1.26 -4.71 120.40 113.88 3a7b s VAL 303 Ca 0.33 -1.96 -0.08 0.00 -1.81 0.00 0.00 61.98 58.45 3a7b s VAL 303 Cb -0.11 -2.99 0.08 0.00 0.56 0.00 0.00 36.38 33.92 3a7b s VAL 303 CO 0.24 0.00 0.20 -0.24 -0.31 0.00 0.00 175.10 174.99 3a7b n SER 304 N -1.01 -0.46 -0.30 4.85 2.88 -1.26 -4.69 113.62 113.62 3a7b n SER 304 Ca -0.05 -0.64 0.08 0.00 -1.33 0.00 0.00 58.87 56.94 3a7b n SER 304 Cb 0.67 -0.81 0.17 0.00 -0.75 0.00 0.00 64.21 63.48 3a7b n SER 304 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3a7b n GLU 305 N -2.48 1.51 0.00 -1.46 0.00 -1.26 -4.50 120.64 112.44 3a7b n GLU 305 Ca -0.01 -2.79 0.06 0.00 0.00 0.00 0.00 57.16 54.42 3a7b n GLU 305 Cb 0.27 -1.57 0.38 0.00 0.00 0.00 0.00 31.44 30.53 3a7b n GLU 305 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3a7b n LEU 306 N -1.28 0.00 0.00 4.31 4.77 -1.26 -4.87 117.00 118.67 3a7b n LEU 306 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3a7b n LEU 306 Cb 0.69 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 3a7b n LEU 306 CO 0.02 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 3a7b n GLY 307 N 0.38 2.11 1.48 -0.72 0.00 -1.26 0.19 105.19 107.37 3a7b n GLY 307 Ca 0.10 0.43 0.08 0.00 0.00 0.00 0.00 46.02 46.62 3a7b n GLY 307 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a7b n LYS 308 N 4.58 4.00 -1.96 1.61 5.02 -1.26 -4.95 118.16 125.20 3a7b n LYS 308 Ca 0.00 -2.97 -0.42 0.00 -2.02 0.00 0.00 58.31 52.90 3a7b n LYS 308 Cb 0.00 -2.02 -0.03 0.00 -0.02 0.00 0.00 35.03 32.96 3a7b n LYS 308 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3a7b s VAL 309 N -2.51 3.50 -0.10 -0.18 1.01 0.13 -4.48 120.40 117.77 3a7b s VAL 309 Ca 0.49 0.60 0.10 0.00 0.00 0.00 0.00 61.98 63.16 3a7b s VAL 309 Cb 0.36 -3.42 -0.14 0.00 0.00 0.00 0.00 36.38 33.18 3a7b s VAL 309 CO 0.16 -0.09 0.25 -0.62 0.00 0.00 0.00 175.10 174.80 3a7b n GLU 310 N 7.34 0.99 -4.25 2.72 1.02 -0.26 -4.30 120.64 123.89 3a7b n GLU 310 Ca 0.18 -0.07 -0.30 0.00 -0.02 0.00 0.00 57.16 56.96 3a7b n GLU 310 Cb 0.43 -1.18 -0.17 0.00 -0.02 0.00 0.00 31.44 30.51 3a7b n GLU 310 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3a7b s THR 311 N -2.53 1.58 -0.17 2.62 2.01 -1.01 -0.09 115.64 118.06 3a7b s THR 311 Ca -0.02 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.33 3a7b s THR 311 Cb 0.06 -1.46 0.01 0.00 0.01 0.00 0.00 72.50 71.13 3a7b s THR 311 CO 0.40 0.46 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.91 3a7b s VAL 312 N 1.22 2.20 -0.30 3.82 1.01 -0.24 -1.97 120.40 126.16 3a7b s VAL 312 Ca -0.01 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.09 3a7b s VAL 312 Cb -0.14 -1.92 0.08 0.00 0.00 0.00 0.00 36.38 34.41 3a7b s VAL 312 CO -0.06 0.53 -0.01 -0.89 0.00 0.00 0.00 175.10 174.68 3a7b s THR 313 N 1.10 1.96 -0.15 3.92 2.01 0.09 -1.63 115.64 122.94 3a7b s THR 313 Ca 0.00 -1.86 -0.04 0.00 0.31 0.00 0.00 61.69 60.11 3a7b s THR 313 Cb -0.14 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 3a7b s THR 313 CO -0.08 -0.37 -0.03 -0.63 -0.69 0.00 0.00 174.62 172.83 3a7b s ILE 314 N 1.12 3.98 -0.03 1.82 1.01 0.89 -1.14 121.20 128.84 3a7b s ILE 314 Ca 0.03 -0.33 0.03 0.00 0.00 0.00 0.00 60.65 60.37 3a7b s ILE 314 Cb -0.19 -2.74 0.00 0.00 0.01 0.00 0.00 42.46 39.54 3a7b s ILE 314 CO -0.09 0.50 -0.11 -0.13 0.00 0.00 0.00 174.94 175.11 3a7b s ARG 315 N 0.27 1.20 -1.23 2.79 0.52 -0.34 -0.11 118.95 122.05 3a7b s ARG 315 Ca -0.03 -0.37 -0.18 0.00 -0.52 0.00 0.00 55.73 54.63 3a7b s ARG 315 Cb -0.14 -1.09 0.00 0.00 0.52 0.00 0.00 34.95 34.25 3a7b s ARG 315 CO 0.03 0.12 0.66 0.54 0.02 0.00 0.00 175.30 176.67 3a7b n ARG 316 N 3.34 -1.48 -3.17 3.54 1.74 -0.02 -3.57 116.66 117.04 3a7b n ARG 316 Ca -0.19 0.35 -0.36 0.00 -0.77 0.00 0.00 57.85 56.88 3a7b n ARG 316 Cb 0.54 -3.86 -0.06 0.00 -1.02 0.00 0.00 32.46 28.05 3a7b n ARG 316 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3a7b s LEU 317 N -6.83 4.36 -0.26 0.55 2.96 -1.26 -3.65 118.68 114.55 3a7b s LEU 317 Ca 0.36 1.34 0.02 0.00 -0.22 0.00 0.00 54.13 55.62 3a7b s LEU 317 Cb -0.15 -3.46 0.07 0.00 0.50 0.00 0.00 46.19 43.15 3a7b s LEU 317 CO 0.90 0.07 -0.05 -1.00 -1.32 0.00 0.00 176.35 174.95 3a7b s HIS 318 N -1.47 2.74 -0.12 5.38 3.76 -0.60 -4.72 115.29 120.26 3a7b s HIS 318 Ca 0.41 -2.05 -0.07 0.00 -0.15 0.00 0.00 55.06 53.20 3a7b s HIS 318 Cb -0.17 -1.84 -0.04 0.00 1.11 0.00 0.00 32.58 31.65 3a7b s HIS 318 CO 0.21 -0.83 0.14 0.42 -0.85 0.00 0.00 174.74 173.82 3a7b s ILE 319 N 1.27 5.46 0.00 0.60 1.09 -1.26 -1.43 121.20 126.93 3a7b s ILE 319 Ca -0.04 0.18 0.00 0.00 -1.10 0.00 0.00 60.65 59.70 3a7b s ILE 319 Cb -0.19 -3.38 0.00 0.00 -1.06 0.00 0.00 42.46 37.83 3a7b s ILE 319 CO -0.07 0.61 0.51 -0.81 -0.10 0.00 0.00 174.94 175.08 3a7b n PRO 320 N 1.96 0.00 -3.66 2.79 -0.04 -1.25 -4.91 135.00 129.88 3a7b n PRO 320 Ca -0.20 0.09 -0.08 0.00 -0.04 0.00 0.00 63.50 63.28 3a7b n PRO 320 Cb 0.55 -1.01 -0.08 0.00 -0.04 0.00 0.00 33.50 32.91 3a7b n PRO 320 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3a7b s GLN 321 N -1.06 0.51 -0.25 0.54 -1.52 -1.26 -5.12 119.66 111.50 3a7b s GLN 321 Ca 0.00 1.07 -0.26 0.00 -1.95 0.00 0.00 55.36 54.23 3a7b s GLN 321 Cb 0.00 0.23 0.00 0.00 -0.22 0.00 0.00 33.01 33.02 3a7b s GLN 321 CO 0.00 -0.18 0.89 -0.06 -0.25 0.00 0.00 175.29 175.70 3a7b s PHE 322 N 1.93 3.29 0.00 0.91 0.40 -1.26 -4.83 117.98 118.42 3a7b s PHE 322 Ca -0.08 1.18 0.00 0.00 -0.60 0.00 0.00 56.93 57.43 3a7b s PHE 322 Cb -0.09 -3.18 0.00 0.00 0.51 0.00 0.00 43.02 40.27 3a7b s PHE 322 CO -0.16 -0.47 0.00 0.66 0.70 0.00 0.00 175.22 175.95 3a7b n TYR 323 N 6.18 0.00 -4.13 0.36 0.53 -1.26 -5.08 117.16 113.76 3a7b n TYR 323 Ca 0.07 0.00 -0.25 0.00 -1.02 0.00 0.00 57.90 56.71 3a7b n TYR 323 Cb 0.47 0.00 -0.06 0.00 -1.03 0.00 0.00 39.34 38.73 3a7b n TYR 323 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 3a7b s LEU 324 N -4.03 3.68 0.10 7.72 1.43 -1.26 -5.06 118.68 121.26 3a7b s LEU 324 Ca 0.00 -0.25 -0.31 0.00 -1.03 0.00 0.00 54.13 52.54 3a7b s LEU 324 Cb 0.00 -2.26 -0.10 0.00 0.03 0.00 0.00 46.19 43.85 3a7b s LEU 324 CO 0.00 0.03 1.88 0.33 0.23 0.00 0.00 176.35 178.82 3a7b n PHE 325 N -0.63 2.60 0.00 0.29 7.35 -1.26 -4.97 117.46 120.84 3a7b n PHE 325 Ca -0.08 -0.21 0.00 0.00 -0.76 0.00 0.00 57.45 56.40 3a7b n PHE 325 Cb 0.56 -2.75 0.00 0.00 0.35 0.00 0.00 39.48 37.64 3a7b n PHE 325 CO 0.00 0.00 0.00 0.98 -0.76 0.00 0.00 176.76 176.98 3a7b n TYR 326 N 6.11 0.00 0.03 -5.13 -0.00 -1.26 -5.09 117.16 111.82 3a7b n TYR 326 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.09 3a7b n TYR 326 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.72 3a7b n TYR 326 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 3a7b n ASP 327 N 0.00 -0.51 0.00 2.98 -0.08 -1.26 -5.02 116.55 112.67 3a7b n ASP 327 Ca 0.00 0.52 0.00 0.00 -1.51 0.00 0.00 54.79 53.80 3a7b n ASP 327 Cb 0.00 0.88 0.00 0.00 2.34 0.00 0.00 41.12 44.34 3a7b n ASP 327 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3a7b n LEU 328 N -3.00 0.40 -0.28 -2.67 4.77 -1.26 -4.82 117.00 110.15 3a7b n LEU 328 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 3a7b n LEU 328 Cb 0.00 -0.65 0.14 0.00 -2.33 0.00 0.00 43.42 40.58 3a7b n LEU 328 CO 0.00 -0.20 1.14 0.28 -1.33 0.00 0.00 177.39 177.28 3a7b h SER 329 N 0.00 0.68 -0.31 -1.43 0.02 -1.99 0.81 113.55 111.34 3a7b h SER 329 Ca 0.00 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 3a7b h SER 329 Cb 0.00 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3a7b h SER 329 CO 0.00 0.42 -0.10 0.74 -1.14 0.00 0.00 176.83 176.75 3a7b h THR 330 N 0.81 1.28 -0.77 -2.27 2.02 -1.99 -2.08 112.91 109.91 3a7b h THR 330 Ca 0.36 -1.16 -0.05 0.00 0.77 0.00 0.00 66.41 66.33 3a7b h THR 330 Cb 0.25 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 3a7b h THR 330 CO -0.21 0.37 0.28 0.58 0.37 0.00 0.00 175.52 176.92 3a7b h VAL 331 N 0.38 1.26 0.19 3.16 2.07 -1.69 0.29 116.25 121.90 3a7b h VAL 331 Ca 0.07 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.76 3a7b h VAL 331 Cb 0.60 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3a7b h VAL 331 CO 0.04 0.34 -0.40 1.88 0.02 0.00 0.00 177.57 179.44 3a7b h TYR 332 N 1.12 -1.13 -0.24 1.57 0.99 0.74 0.39 116.97 120.41 3a7b h TYR 332 Ca 0.25 0.02 0.05 0.00 2.00 0.00 0.00 58.73 61.05 3a7b h TYR 332 Cb 0.25 0.47 -0.05 0.00 1.00 0.00 0.00 36.73 38.40 3a7b h TYR 332 CO 0.02 -0.52 -0.07 1.03 -0.00 0.00 0.00 178.16 178.62 3a7b h SER 333 N -0.68 -0.25 -0.71 3.88 0.87 -1.11 -0.64 113.55 114.91 3a7b h SER 333 Ca 0.01 0.08 0.06 0.00 -1.23 0.00 0.00 61.79 60.71 3a7b h SER 333 Cb 0.68 0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.76 3a7b h SER 333 CO -0.19 -0.09 0.46 0.25 -0.53 0.00 0.00 176.83 176.73 3a7b h LEU 334 N -0.02 0.65 -1.96 2.23 5.85 0.17 -2.29 115.31 119.95 3a7b h LEU 334 Ca 0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3a7b h LEU 334 Cb 0.19 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.09 3a7b h LEU 334 CO -0.25 0.42 0.00 0.18 -0.34 0.00 0.00 178.44 178.45 3a7b n LEU 335 N -4.48 2.97 -0.33 2.25 4.77 0.13 -4.42 117.00 117.89 3a7b n LEU 335 Ca 0.10 -1.16 0.19 0.00 -0.03 0.00 0.00 56.01 55.11 3a7b n LEU 335 Cb 0.22 -0.13 0.40 0.00 -2.33 0.00 0.00 43.42 41.59 3a7b n LEU 335 CO 0.34 0.58 1.12 -0.08 -1.33 0.00 0.00 177.39 178.02 3a7b h GLU 336 N 4.18 0.43 -0.34 3.23 4.81 -0.51 -2.77 114.58 123.62 3a7b h GLU 336 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3a7b h GLU 336 Cb 0.91 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.19 3a7b h GLU 336 CO 0.00 0.29 0.00 1.63 -0.73 0.00 0.00 179.01 180.20 3a7b n LYS 337 N -4.98 2.90 -2.64 1.92 5.02 -1.26 -3.48 118.16 115.64 3a7b n LYS 337 Ca 0.28 -2.24 -0.40 0.00 -2.02 0.00 0.00 58.31 53.93 3a7b n LYS 337 Cb 0.82 -1.40 -0.05 0.00 -0.02 0.00 0.00 35.03 34.37 3a7b n LYS 337 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3a7b s VAL 338 N -1.40 3.84 -0.16 -0.18 -7.23 -1.05 -4.80 120.40 109.42 3a7b s VAL 338 Ca 0.28 1.79 0.15 0.00 -1.81 0.00 0.00 61.98 62.39 3a7b s VAL 338 Cb 0.17 -4.12 -0.21 0.00 0.56 0.00 0.00 36.38 32.79 3a7b s VAL 338 CO 0.15 0.38 0.06 0.29 -0.31 0.00 0.00 175.10 175.67 3a7b n LYS 339 N 1.19 1.27 -4.71 4.82 5.02 0.88 -2.52 118.16 124.11 3a7b n LYS 339 Ca -0.01 -0.01 -0.31 0.00 -2.02 0.00 0.00 58.31 55.96 3a7b n LYS 339 Cb 0.47 -1.43 -0.17 0.00 -0.02 0.00 0.00 35.03 33.88 3a7b n LYS 339 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3a7b s ARG 340 N -2.41 2.70 -0.03 1.97 1.81 0.02 0.45 118.95 123.46 3a7b s ARG 340 Ca -0.08 -0.74 0.03 0.00 -1.72 0.00 0.00 55.73 53.21 3a7b s ARG 340 Cb 0.05 -2.18 0.00 0.00 -0.45 0.00 0.00 34.95 32.38 3a7b s ARG 340 CO 0.68 0.01 -0.10 0.42 -0.68 0.00 0.00 175.30 175.64 3a7b s ILE 341 N 0.77 0.83 -0.09 1.52 1.01 -0.68 -1.07 121.20 123.48 3a7b s ILE 341 Ca -0.10 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.18 3a7b s ILE 341 Cb -0.16 -0.74 0.02 0.00 0.01 0.00 0.00 42.46 41.59 3a7b s ILE 341 CO 0.01 0.26 -0.10 -0.89 0.00 0.00 0.00 174.94 174.22 3a7b s THR 342 N 0.21 1.08 -0.45 2.92 2.01 -0.65 -1.42 115.64 119.34 3a7b s THR 342 Ca -0.04 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 61.61 3a7b s THR 342 Cb -0.09 -1.05 0.13 0.00 0.01 0.00 0.00 72.50 71.50 3a7b s THR 342 CO 0.01 0.36 0.24 -0.69 -0.69 0.00 0.00 174.62 173.85 3a7b s VAL 343 N 1.27 1.59 0.04 3.82 1.01 0.35 -0.08 120.40 128.40 3a7b s VAL 343 Ca -0.03 -2.67 -0.05 0.00 0.00 0.00 0.00 61.98 59.23 3a7b s VAL 343 Cb -0.14 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 3a7b s VAL 343 CO -0.03 -0.88 0.28 -0.70 0.00 0.00 0.00 175.10 173.77 3a7b s GLU 344 N 0.26 3.57 -0.76 2.72 2.12 0.84 -4.37 118.70 123.07 3a7b s GLU 344 Ca 0.17 -0.13 -0.20 0.00 0.36 0.00 0.00 54.97 55.17 3a7b s GLU 344 Cb -0.25 -3.02 0.03 0.00 0.26 0.00 0.00 34.13 31.15 3a7b s GLU 344 CO 0.00 0.60 0.44 -1.71 -0.54 0.00 0.00 175.26 174.06 3a7b n ASN 345 N 0.77 -2.78 -1.04 -1.70 5.15 -0.71 -0.84 115.26 114.12 3a7b n ASN 345 Ca -0.08 -0.83 0.05 0.00 -0.60 0.00 0.00 54.58 53.11 3a7b n ASN 345 Cb 0.52 -1.04 0.10 0.00 -0.53 0.00 0.00 39.78 38.83 3a7b n ASN 345 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3a7b n SER 346 N -1.17 1.28 -3.69 1.20 7.64 -1.26 -2.72 113.62 114.90 3a7b n SER 346 Ca -0.10 -2.80 -0.28 0.00 1.01 0.00 0.00 58.87 56.70 3a7b n SER 346 Cb 0.39 -0.39 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 3a7b n SER 346 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3a7b n LYS 347 N -0.24 -5.05 -2.62 1.43 5.02 -1.26 -4.81 118.16 110.63 3a7b n LYS 347 Ca 0.11 0.61 -0.41 0.00 -2.02 0.00 0.00 58.31 56.60 3a7b n LYS 347 Cb 0.93 -5.47 -0.04 0.00 -0.02 0.00 0.00 35.03 30.43 3a7b n LYS 347 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3a7b s VAL 348 N -3.21 4.34 0.00 -0.18 1.01 -1.26 -4.74 120.40 116.36 3a7b s VAL 348 Ca 0.57 1.85 0.00 0.00 0.00 0.00 0.00 61.98 64.41 3a7b s VAL 348 Cb -0.29 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 31.91 3a7b s VAL 348 CO 0.71 0.24 0.09 2.22 0.00 0.00 0.00 175.10 178.36 3a7b n PHE 349 N 3.08 0.00 -3.56 5.22 1.16 -1.26 0.10 117.46 122.21 3a7b n PHE 349 Ca 0.04 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.46 3a7b n PHE 349 Cb 0.48 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.29 3a7b n PHE 349 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 3a7b s LEU 350 N -1.09 -0.68 -0.23 5.98 2.96 -1.26 -4.73 118.68 119.63 3a7b s LEU 350 Ca 0.00 0.94 -0.02 0.00 -0.22 0.00 0.00 54.13 54.83 3a7b s LEU 350 Cb 0.00 2.50 0.07 0.00 0.50 0.00 0.00 46.19 49.26 3a7b s LEU 350 CO 0.00 -0.49 0.03 -0.69 -1.32 0.00 0.00 176.35 173.89 3a7b s VAL 351 N -0.69 0.80 0.43 1.68 1.01 -1.26 -5.10 120.40 117.27 3a7b s VAL 351 Ca -0.07 -0.90 -0.24 0.00 0.00 0.00 0.00 61.98 60.76 3a7b s VAL 351 Cb -0.02 -1.34 -0.10 0.00 0.00 0.00 0.00 36.38 34.92 3a7b s VAL 351 CO 0.07 -0.31 1.09 -2.65 0.00 0.00 0.00 175.10 173.30 3a7b n PRO 352 N 4.93 1.49 -0.21 2.72 -0.02 -1.26 -3.66 135.00 138.99 3a7b n PRO 352 Ca -0.08 0.54 -0.02 0.00 -2.02 0.00 0.00 63.50 61.92 3a7b n PRO 352 Cb 0.45 -2.15 0.05 0.00 -0.02 0.00 0.00 33.50 31.83 3a7b n PRO 352 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a7b h SER 354 N -0.07 0.59 0.88 0.00 0.87 -1.89 0.74 113.55 114.68 3a7b h SER 354 Ca 0.29 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.88 3a7b h SER 354 Cb 0.51 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.45 3a7b h SER 354 CO -0.67 0.29 -0.42 0.15 -0.53 0.00 0.00 176.83 175.64 3a7b h PHE 355 N 0.69 -1.10 -0.93 2.24 3.04 -1.36 -2.77 116.94 116.76 3a7b h PHE 355 Ca 0.44 -0.03 0.26 0.00 3.98 0.00 0.00 57.97 62.62 3a7b h PHE 355 Cb 0.54 0.36 -0.14 0.00 2.56 0.00 0.00 35.95 39.27 3a7b h PHE 355 CO -0.08 -0.68 0.40 0.77 -2.02 0.00 0.00 178.31 176.70 3a7b h SER 356 N -1.29 0.28 0.59 0.41 0.02 -0.71 0.17 113.55 113.02 3a7b h SER 356 Ca -0.12 0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3a7b h SER 356 Cb 0.91 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 3a7b h SER 356 CO 0.20 -0.10 -0.06 1.56 -1.14 0.00 0.00 176.83 177.30 3a7b h GLN 357 N 0.31 0.00 -0.00 3.45 4.20 -0.60 -0.98 115.11 121.49 3a7b h GLN 357 Ca 0.62 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.33 3a7b h GLN 357 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 3a7b h GLN 357 CO -0.60 0.06 -0.61 0.72 -0.67 0.00 0.00 178.83 177.73 3a7b n HIS 358 N -3.27 0.00 -2.17 2.96 8.25 0.58 -4.47 115.22 117.10 3a7b n HIS 358 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 3a7b n HIS 358 Cb 0.24 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.17 3a7b n HIS 358 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3a7b n LEU 359 N -1.45 6.35 0.23 2.41 4.77 -0.98 -4.61 117.00 123.72 3a7b n LEU 359 Ca 0.05 -4.29 0.13 0.00 -0.03 0.00 0.00 56.01 51.86 3a7b n LEU 359 Cb 0.34 -1.61 0.42 0.00 -2.33 0.00 0.00 43.42 40.23 3a7b n LEU 359 CO 0.36 1.01 0.84 0.11 -1.33 0.00 0.00 177.39 178.39 3a7b h LYS 360 N 6.27 0.00 -0.01 3.23 1.57 -1.78 -3.25 116.57 122.59 3a7b h LYS 360 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 3a7b h LYS 360 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3a7b h LYS 360 CO 1.68 0.11 -0.52 0.43 -0.57 0.00 0.00 179.45 180.58 3a7b n SER 361 N -3.19 1.95 -4.69 0.86 7.64 -1.23 -4.23 113.62 110.74 3a7b n SER 361 Ca 0.02 -1.47 -0.42 0.00 1.01 0.00 0.00 58.87 58.00 3a7b n SER 361 Cb 0.44 0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 64.13 3a7b n SER 361 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3a7b s LEU 362 N -2.52 4.40 -0.07 -3.43 2.96 -1.05 -4.31 118.68 114.65 3a7b s LEU 362 Ca 0.18 2.76 0.05 0.00 -0.22 0.00 0.00 54.13 56.89 3a7b s LEU 362 Cb 0.18 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 43.22 3a7b s LEU 362 CO 0.60 -1.00 0.01 -0.62 -1.32 0.00 0.00 176.35 174.02 3a7b n GLU 363 N 5.55 2.57 -4.99 1.98 1.02 0.17 -2.56 120.64 124.37 3a7b n GLU 363 Ca 0.17 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.03 3a7b n GLU 363 Cb 0.38 -1.17 -0.16 0.00 -0.02 0.00 0.00 31.44 30.46 3a7b n GLU 363 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3a7b s PHE 364 N -2.16 2.05 -0.08 -0.32 5.36 -0.30 -0.32 117.98 122.21 3a7b s PHE 364 Ca -0.04 -0.70 -0.02 0.00 -0.96 0.00 0.00 56.93 55.20 3a7b s PHE 364 Cb 0.02 -1.39 0.04 0.00 -0.34 0.00 0.00 43.02 41.35 3a7b s PHE 364 CO 0.26 -0.27 0.05 -1.17 -1.46 0.00 0.00 175.22 172.63 3a7b s LEU 365 N 0.19 0.35 -0.26 6.12 2.96 -0.82 -1.69 118.68 125.54 3a7b s LEU 365 Ca -0.10 -0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 53.69 3a7b s LEU 365 Cb -0.15 -0.26 0.04 0.00 0.50 0.00 0.00 46.19 46.32 3a7b s LEU 365 CO 0.05 -0.25 -0.06 -0.62 -1.32 0.00 0.00 176.35 174.15 3a7b s ASP 366 N 2.09 4.48 -0.28 3.68 -1.08 -0.51 -0.43 116.67 124.61 3a7b s ASP 366 Ca 0.04 -1.09 0.09 0.00 -0.52 0.00 0.00 52.55 51.07 3a7b s ASP 366 Cb -0.13 -1.65 0.48 0.00 -1.46 0.00 0.00 42.92 40.16 3a7b s ASP 366 CO -0.05 -0.18 1.40 0.18 0.52 0.00 0.00 175.17 177.05 3a7b n LEU 367 N 4.61 3.96 -4.56 -1.34 4.77 0.24 -0.50 117.00 124.18 3a7b n LEU 367 Ca -0.15 -3.92 -0.43 0.00 -0.03 0.00 0.00 56.01 51.48 3a7b n LEU 367 Cb 0.45 -0.60 -0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3a7b n LEU 367 CO 0.26 1.39 0.43 -1.20 -1.33 0.00 0.00 177.39 176.93 3a7b n SER 368 N -1.09 0.65 -3.47 -1.43 7.64 -1.21 -3.41 113.62 111.30 3a7b n SER 368 Ca 0.32 1.06 -0.18 0.00 1.01 0.00 0.00 58.87 61.08 3a7b n SER 368 Cb 0.94 -1.25 0.08 0.00 -1.01 0.00 0.00 64.21 62.97 3a7b n SER 368 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3a7b n GLU 369 N 0.50 -6.64 0.00 1.43 1.02 -0.30 -1.73 120.64 114.92 3a7b n GLU 369 Ca 0.10 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 58.07 3a7b n GLU 369 Cb 0.36 -5.82 0.00 0.00 -0.02 0.00 0.00 31.44 25.96 3a7b n GLU 369 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3a7b n ASN 370 N -3.11 0.54 -1.59 1.62 4.13 -0.79 -3.18 115.26 112.87 3a7b n ASN 370 Ca -0.26 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 55.88 3a7b n ASN 370 Cb 0.66 0.00 0.08 0.00 -1.54 0.00 0.00 39.78 38.98 3a7b n ASN 370 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3a7b n LEU 371 N 0.00 3.92 -4.74 3.41 4.32 0.12 -4.32 117.00 119.71 3a7b n LEU 371 Ca 0.00 -4.31 -0.41 0.00 -0.02 0.00 0.00 56.01 51.27 3a7b n LEU 371 Cb 0.00 -0.35 -0.04 0.00 -1.62 0.00 0.00 43.42 41.41 3a7b n LEU 371 CO 0.00 1.78 0.83 -0.04 -1.22 0.00 0.00 177.39 178.74 3a7b s MET 372 N -3.39 4.54 0.11 3.23 -1.94 -1.22 -4.55 119.30 116.09 3a7b s MET 372 Ca 0.45 1.78 0.04 0.00 -1.71 0.00 0.00 55.69 56.25 3a7b s MET 372 Cb 0.39 -3.27 -0.04 0.00 2.01 0.00 0.00 34.83 33.92 3a7b s MET 372 CO -0.01 -0.01 -0.11 0.14 -0.01 0.00 0.00 175.02 175.02 3a7b s VAL 373 N -0.07 1.09 0.31 -6.03 -7.23 -1.26 -0.33 120.40 106.88 3a7b s VAL 373 Ca 0.51 -1.73 0.07 0.00 -1.81 0.00 0.00 61.98 59.03 3a7b s VAL 373 Cb -0.30 -1.49 0.31 0.00 0.56 0.00 0.00 36.38 35.45 3a7b s VAL 373 CO 0.35 -0.55 1.77 -0.33 -0.31 0.00 0.00 175.10 176.03 3a7b h GLU 374 N 3.42 0.68 -0.48 4.82 3.07 -1.97 0.67 114.58 124.79 3a7b h GLU 374 Ca -0.38 -0.04 0.09 0.00 -0.50 0.00 0.00 59.36 58.53 3a7b h GLU 374 Cb 1.19 -0.15 -0.08 0.00 -0.84 0.00 0.00 28.75 28.87 3a7b h GLU 374 CO 0.54 0.45 0.03 1.49 -1.40 0.00 0.00 179.01 180.12 3a7b h GLU 375 N 0.70 0.14 0.00 2.33 4.81 -1.98 -1.60 114.58 118.98 3a7b h GLU 375 Ca 0.59 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.66 3a7b h GLU 375 Cb 1.00 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.33 3a7b h GLU 375 CO -0.40 0.09 -1.28 1.88 -0.73 0.00 0.00 179.01 178.57 3a7b h TYR 376 N 0.14 0.00 -0.92 0.92 -1.99 -1.41 -3.32 116.97 110.38 3a7b h TYR 376 Ca 0.24 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.98 3a7b h TYR 376 Cb 0.35 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.03 3a7b h TYR 376 CO -0.28 0.56 0.61 1.25 -0.00 0.00 0.00 178.16 180.30 3a7b h LEU 377 N 0.00 1.05 -1.48 3.88 5.85 -0.56 -1.88 115.31 122.18 3a7b h LEU 377 Ca -0.14 -0.03 0.22 0.00 0.84 0.00 0.00 57.88 58.78 3a7b h LEU 377 Cb 1.55 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 42.25 3a7b h LEU 377 CO 0.05 0.76 0.62 0.50 -0.34 0.00 0.00 178.44 180.03 3a7b h LYS 378 N 1.24 0.39 0.15 1.25 3.64 -1.40 0.30 116.57 122.14 3a7b h LYS 378 Ca 0.34 -0.02 -0.31 0.00 -1.27 0.00 0.00 60.65 59.39 3a7b h LYS 378 Cb -0.13 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 31.61 3a7b h LYS 378 CO -0.08 0.26 -1.50 -0.97 -2.27 0.00 0.00 179.45 174.89 3a7b h ASN 379 N 0.40 0.50 -0.15 4.20 -0.73 -1.55 -3.30 115.58 114.95 3a7b h ASN 379 Ca 0.51 -0.64 -0.04 0.00 1.87 0.00 0.00 56.30 58.00 3a7b h ASN 379 Cb 1.28 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 39.69 3a7b h ASN 379 CO -0.20 1.52 -0.02 0.28 -0.37 0.00 0.00 177.43 178.64 3a7b h SER 380 N 0.09 0.38 -1.97 1.15 0.02 -0.39 -3.04 113.55 109.79 3a7b h SER 380 Ca -0.24 -0.06 -0.70 0.00 -0.84 0.00 0.00 61.79 59.95 3a7b h SER 380 Cb 2.05 -0.10 -0.34 0.00 0.14 0.00 0.00 62.40 64.15 3a7b h SER 380 CO 0.19 0.46 0.29 0.00 -1.14 0.00 0.00 176.83 176.63 3a7b n ALA 381 N -2.48 5.73 -1.20 3.77 0.00 0.85 -4.69 120.51 122.49 3a7b n ALA 381 Ca 0.01 -4.38 -0.09 0.00 0.00 0.00 0.00 53.44 48.98 3a7b n ALA 381 Cb 0.23 -1.43 0.10 0.00 0.00 0.00 0.00 19.45 18.34 3a7b n ALA 381 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a7b h LYS 383 N 0.00 -0.11 -0.84 0.00 3.64 -1.92 -1.59 116.57 115.76 3a7b h LYS 383 Ca -0.18 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.14 3a7b h LYS 383 Cb 0.53 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 3a7b h LYS 383 CO 0.12 -0.07 0.08 0.41 -2.27 0.00 0.00 179.45 177.73 3a7b n GLY 384 N -1.12 2.53 3.73 5.01 0.00 -1.26 -4.91 105.19 109.17 3a7b n GLY 384 Ca -0.01 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 3a7b n GLY 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a7b s ALA 385 N -1.87 3.74 -1.30 4.61 0.00 -0.60 -3.68 121.76 122.65 3a7b s ALA 385 Ca 0.29 1.38 -0.15 0.00 0.00 0.00 0.00 51.96 53.48 3a7b s ALA 385 Cb 0.22 -3.61 0.02 0.00 0.00 0.00 0.00 23.12 19.76 3a7b s ALA 385 CO 0.08 -0.79 0.28 0.91 0.00 0.00 0.00 175.76 176.24 3a7b n TRP 386 N 3.35 -1.21 -0.32 0.00 8.01 -0.41 -4.77 117.44 122.09 3a7b n TRP 386 Ca 0.11 0.33 0.22 0.00 -1.31 0.00 0.00 57.50 56.85 3a7b n TRP 386 Cb 0.39 -2.58 0.43 0.00 -2.01 0.00 0.00 31.31 27.54 3a7b n TRP 386 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 3a7b h PRO 387 N -1.90 0.20 -0.61 -0.99 0.13 -1.77 -0.68 132.00 126.38 3a7b h PRO 387 Ca -0.64 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 3a7b h PRO 387 Cb 1.31 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3a7b h PRO 387 CO 0.58 0.13 0.00 0.43 -0.23 0.00 0.00 178.00 178.92 3a7b n SER 388 N -5.17 3.48 -4.70 1.44 7.64 -1.26 -4.40 113.62 110.65 3a7b n SER 388 Ca 0.30 -2.13 -0.42 0.00 1.01 0.00 0.00 58.87 57.62 3a7b n SER 388 Cb 0.95 -0.44 -0.03 0.00 -1.01 0.00 0.00 64.21 63.67 3a7b n SER 388 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3a7b s LEU 389 N -1.22 4.38 -0.22 -3.43 2.96 -0.26 -4.38 118.68 116.51 3a7b s LEU 389 Ca 0.41 2.61 -0.06 0.00 -0.22 0.00 0.00 54.13 56.87 3a7b s LEU 389 Cb 0.23 -3.57 -0.11 0.00 0.50 0.00 0.00 46.19 43.24 3a7b s LEU 389 CO 0.25 -0.92 -0.25 0.00 -1.32 0.00 0.00 176.35 174.11 3a7b n GLN 390 N 5.32 0.49 -4.93 1.98 6.02 0.56 -2.56 117.38 124.26 3a7b n GLN 390 Ca 0.16 0.17 -0.33 0.00 -0.01 0.00 0.00 57.00 57.00 3a7b n GLN 390 Cb 0.39 -1.34 -0.15 0.00 1.02 0.00 0.00 30.24 30.17 3a7b n GLN 390 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3a7b s THR 391 N -2.41 2.79 -0.11 5.09 2.01 0.23 0.14 115.64 123.38 3a7b s THR 391 Ca -0.30 -0.78 -0.00 0.00 0.31 0.00 0.00 61.69 60.92 3a7b s THR 391 Cb 0.10 -2.12 0.02 0.00 0.01 0.00 0.00 72.50 70.51 3a7b s THR 391 CO 0.43 0.55 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.62 3a7b s LEU 392 N 0.06 1.11 -0.30 4.42 2.96 -0.72 -1.94 118.68 124.27 3a7b s LEU 392 Ca -0.07 -0.27 -0.06 0.00 -0.22 0.00 0.00 54.13 53.51 3a7b s LEU 392 Cb -0.15 -0.78 0.02 0.00 0.50 0.00 0.00 46.19 45.77 3a7b s LEU 392 CO 0.05 -0.13 0.07 -0.69 -1.32 0.00 0.00 176.35 174.34 3a7b s VAL 393 N 1.71 3.85 -0.18 1.68 1.01 0.42 -1.73 120.40 127.16 3a7b s VAL 393 Ca 0.04 -0.79 0.13 0.00 0.00 0.00 0.00 61.98 61.37 3a7b s VAL 393 Cb -0.13 -3.01 0.39 0.00 0.00 0.00 0.00 36.38 33.63 3a7b s VAL 393 CO -0.07 0.05 1.20 0.18 0.00 0.00 0.00 175.10 176.45 3a7b n LEU 394 N 4.84 2.51 -4.63 3.92 4.77 0.90 -0.59 117.00 128.72 3a7b n LEU 394 Ca -0.14 -3.60 -0.38 0.00 -0.03 0.00 0.00 56.01 51.85 3a7b n LEU 394 Cb 0.47 -0.48 0.05 0.00 -2.33 0.00 0.00 43.42 41.13 3a7b n LEU 394 CO 0.31 1.20 0.60 -0.24 -1.33 0.00 0.00 177.39 177.93 3a7b n SER 395 N -1.10 1.06 -3.62 -1.43 2.88 -1.14 -3.79 113.62 106.48 3a7b n SER 395 Ca 0.17 0.86 -0.23 0.00 -1.33 0.00 0.00 58.87 58.35 3a7b n SER 395 Cb 0.70 -1.41 0.01 0.00 -0.75 0.00 0.00 64.21 62.77 3a7b n SER 395 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3a7b n GLN 396 N -0.83 -1.29 0.00 -1.46 6.02 -0.74 -1.15 117.38 117.93 3a7b n GLN 396 Ca 0.13 0.79 0.00 0.00 -0.01 0.00 0.00 57.00 57.91 3a7b n GLN 396 Cb 0.46 -3.56 0.00 0.00 1.02 0.00 0.00 30.24 28.16 3a7b n GLN 396 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3a7b n ASN 397 N -2.40 0.35 -1.45 1.08 4.13 -1.25 -1.89 115.26 113.84 3a7b n ASN 397 Ca -0.17 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 55.97 3a7b n ASN 397 Cb 0.61 0.00 0.10 0.00 -1.54 0.00 0.00 39.78 38.95 3a7b n ASN 397 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3a7b n HIS 398 N 0.00 1.65 -2.54 3.10 8.25 0.55 -4.78 115.22 121.45 3a7b n HIS 398 Ca 0.00 -1.93 -0.37 0.00 -0.26 0.00 0.00 57.72 55.16 3a7b n HIS 398 Cb 0.00 -0.31 -0.04 0.00 1.12 0.00 0.00 29.99 30.76 3a7b n HIS 398 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3a7b s LEU 399 N -3.46 4.20 0.00 2.41 1.43 -1.16 -4.51 118.68 117.59 3a7b s LEU 399 Ca 0.46 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.62 3a7b s LEU 399 Cb 0.39 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 42.51 3a7b s LEU 399 CO -0.00 -0.43 0.00 0.54 0.23 0.00 0.00 176.35 176.68 3a7b n ARG 400 N 0.11 3.46 -4.02 1.70 1.74 -1.26 -4.17 116.66 114.23 3a7b n ARG 400 Ca 0.04 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.78 3a7b n ARG 400 Cb 0.49 -0.68 -0.15 0.00 -1.02 0.00 0.00 32.46 31.10 3a7b n ARG 400 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3a7b s SER 401 N -0.88 4.12 0.23 0.55 0.15 -1.26 -0.27 113.70 116.35 3a7b s SER 401 Ca 0.00 -0.96 -0.06 0.00 0.70 0.00 0.00 55.95 55.63 3a7b s SER 401 Cb 0.00 -1.60 0.23 0.00 -1.71 0.00 0.00 66.02 62.94 3a7b s SER 401 CO 0.00 -0.12 1.78 0.24 1.20 0.00 0.00 173.24 176.34 3a7b h MET 402 N 7.94 1.08 -0.57 5.44 2.86 -1.94 -1.44 114.93 128.30 3a7b h MET 402 Ca -0.32 -0.21 -0.04 0.00 -2.06 0.00 0.00 59.70 57.06 3a7b h MET 402 Cb 1.10 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 3a7b h MET 402 CO 0.56 0.91 0.19 0.37 1.06 0.00 0.00 176.91 180.00 3a7b h GLN 403 N 1.04 0.88 -0.15 1.72 4.15 -1.94 -2.10 115.11 118.72 3a7b h GLN 403 Ca 0.23 -0.18 -0.22 0.00 0.77 0.00 0.00 58.65 59.24 3a7b h GLN 403 Cb 0.27 -0.13 0.01 0.00 0.21 0.00 0.00 27.48 27.84 3a7b h GLN 403 CO -0.01 0.79 -0.78 0.87 -1.93 0.00 0.00 178.83 177.77 3a7b h LYS 404 N 0.80 0.78 -0.03 1.69 1.57 -1.94 -2.31 116.57 117.13 3a7b h LYS 404 Ca 0.19 -0.64 0.03 0.00 -1.87 0.00 0.00 60.65 58.36 3a7b h LYS 404 Cb 0.27 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 3a7b h LYS 404 CO -0.01 1.24 -0.21 1.15 -0.57 0.00 0.00 179.45 181.05 3a7b h THR 405 N 0.53 0.49 -0.84 -0.16 2.02 -1.18 0.15 112.91 113.92 3a7b h THR 405 Ca -0.05 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.18 3a7b h THR 405 Cb 1.41 0.49 -0.06 0.00 -1.74 0.00 0.00 68.15 68.25 3a7b h THR 405 CO 0.16 0.00 0.53 1.23 0.37 0.00 0.00 175.52 177.81 3a7b h GLY 406 N -0.33 1.25 0.80 2.16 0.00 -1.39 -1.80 103.07 103.76 3a7b h GLY 406 Ca 0.07 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 3a7b h GLY 406 CO -0.22 0.30 0.01 -2.09 0.00 0.00 0.00 176.54 174.55 3a7b h GLU 407 N 1.00 0.25 -0.77 4.80 4.81 -0.94 -2.99 114.58 120.75 3a7b h GLU 407 Ca 0.35 -0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.62 3a7b h GLU 407 Cb 0.09 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.36 3a7b h GLU 407 CO -0.14 0.46 0.39 0.82 -0.73 0.00 0.00 179.01 179.80 3a7b h ILE 408 N 0.01 0.80 0.00 2.32 2.04 -0.49 -1.84 117.51 120.35 3a7b h ILE 408 Ca 0.04 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3a7b h ILE 408 Cb 0.34 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3a7b h ILE 408 CO 0.01 0.11 0.00 0.18 0.00 0.00 0.00 178.15 178.45 3a7b n LEU 409 N -4.86 0.03 0.30 1.44 4.77 -0.72 -3.59 117.00 114.36 3a7b n LEU 409 Ca 0.14 0.51 0.17 0.00 -0.03 0.00 0.00 56.01 56.80 3a7b n LEU 409 Cb 0.34 -0.50 0.93 0.00 -2.33 0.00 0.00 43.42 41.85 3a7b n LEU 409 CO 0.23 -0.27 1.09 -0.07 -1.33 0.00 0.00 177.39 177.04 3a7b h LEU 410 N 0.00 0.00 -0.90 2.23 3.38 -1.21 0.32 115.31 119.13 3a7b h LEU 410 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a7b h LEU 410 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3a7b h LEU 410 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 178.44 179.24 3a7b h THR 411 N 0.00 0.00 -2.19 0.22 1.35 -1.79 -3.35 112.91 107.15 3a7b h THR 411 Ca 0.00 -0.35 -0.75 0.00 -0.55 0.00 0.00 66.41 64.75 3a7b h THR 411 Cb 0.29 1.20 -0.19 0.00 -1.73 0.00 0.00 68.15 67.72 3a7b h THR 411 CO 0.00 0.00 1.38 0.18 -0.25 0.00 0.00 175.52 176.83 3a7b n LEU 412 N -2.54 5.67 -0.22 3.87 4.77 0.11 -4.83 117.00 123.83 3a7b n LEU 412 Ca 0.02 -4.62 0.14 0.00 -0.03 0.00 0.00 56.01 51.52 3a7b n LEU 412 Cb 0.27 -1.55 0.44 0.00 -2.33 0.00 0.00 43.42 40.26 3a7b n LEU 412 CO 0.23 1.01 1.22 0.11 -1.33 0.00 0.00 177.39 178.63 3a7b h LYS 413 N 6.64 0.53 -0.20 3.23 1.79 -1.83 -2.03 116.57 124.71 3a7b h LYS 413 Ca 0.31 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 3a7b h LYS 413 Cb 0.80 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 3a7b h LYS 413 CO 1.31 0.35 0.00 0.09 -1.08 0.00 0.00 179.45 180.13 3a7b n ASN 414 N -4.52 1.64 -4.71 0.86 3.02 -1.26 -4.54 115.26 105.75 3a7b n ASN 414 Ca 0.16 -1.76 -0.42 0.00 -0.03 0.00 0.00 54.58 52.53 3a7b n ASN 414 Cb 0.51 -0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.53 3a7b n ASN 414 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3a7b s LEU 415 N -1.45 4.35 -0.01 3.41 2.96 -0.76 -4.25 118.68 122.94 3a7b s LEU 415 Ca 0.30 2.25 0.04 0.00 -0.22 0.00 0.00 54.13 56.50 3a7b s LEU 415 Cb 0.16 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 43.21 3a7b s LEU 415 CO 0.24 -0.68 0.10 0.35 -1.32 0.00 0.00 176.35 175.04 3a7b n THR 416 N 4.22 0.00 -3.84 3.68 -2.24 0.12 -2.90 114.28 113.32 3a7b n THR 416 Ca 0.12 -0.12 -0.12 0.00 -2.27 0.00 0.00 64.05 61.65 3a7b n THR 416 Cb 0.43 0.44 -0.14 0.00 -2.10 0.00 0.00 70.33 68.96 3a7b n THR 416 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3a7b s SER 417 N -2.43 -0.05 -0.05 3.42 1.04 -0.68 -0.20 113.70 114.75 3a7b s SER 417 Ca -0.01 0.12 0.02 0.00 0.48 0.00 0.00 55.95 56.56 3a7b s SER 417 Cb 0.03 0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.26 3a7b s SER 417 CO 0.18 -0.04 -0.10 -0.22 0.98 0.00 0.00 173.24 174.04 3a7b s LEU 418 N 0.18 1.65 -0.29 2.42 2.96 0.32 -1.75 118.68 124.18 3a7b s LEU 418 Ca -0.01 -0.24 0.00 0.00 -0.22 0.00 0.00 54.13 53.66 3a7b s LEU 418 Cb -0.02 -0.69 0.06 0.00 0.50 0.00 0.00 46.19 46.04 3a7b s LEU 418 CO -0.01 0.04 -0.04 -0.62 -1.32 0.00 0.00 176.35 174.40 3a7b s ASP 419 N 0.52 4.71 -0.17 3.68 3.68 -0.71 -0.79 116.67 127.59 3a7b s ASP 419 Ca -0.10 -1.36 0.14 0.00 2.13 0.00 0.00 52.55 53.36 3a7b s ASP 419 Cb -0.13 -1.64 0.39 0.00 -1.45 0.00 0.00 42.92 40.09 3a7b s ASP 419 CO 0.02 -0.24 1.20 2.30 0.13 0.00 0.00 175.17 178.58 3a7b n ILE 420 N 4.53 1.83 -0.81 4.11 -5.35 -0.72 -0.07 119.36 122.88 3a7b n ILE 420 Ca -0.13 -2.76 -0.29 0.00 -0.27 0.00 0.00 62.75 59.30 3a7b n ILE 420 Cb 0.43 -0.06 0.20 0.00 -1.74 0.00 0.00 39.64 38.47 3a7b n ILE 420 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3a7b s SER 421 N -2.98 2.01 -1.56 7.28 1.04 -0.95 -3.94 113.70 114.60 3a7b s SER 421 Ca 0.36 1.54 -0.13 0.00 0.48 0.00 0.00 55.95 58.20 3a7b s SER 421 Cb 0.35 -2.23 0.09 0.00 0.10 0.00 0.00 66.02 64.34 3a7b s SER 421 CO -0.07 -3.57 0.85 0.54 0.98 0.00 0.00 173.24 171.98 3a7b n ARG 422 N -4.50 -4.56 -4.59 4.02 1.74 -0.16 -1.80 116.66 106.81 3a7b n ARG 422 Ca 0.05 0.51 -0.25 0.00 -0.77 0.00 0.00 57.85 57.40 3a7b n ARG 422 Cb 0.55 -5.26 -0.17 0.00 -1.02 0.00 0.00 32.46 26.56 3a7b n ARG 422 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3a7b s ASN 423 N -3.48 1.78 -0.72 0.55 -0.87 -1.24 -2.79 114.94 108.17 3a7b s ASN 423 Ca 0.58 -0.30 -0.23 0.00 -1.57 0.00 0.00 52.86 51.34 3a7b s ASN 423 Cb -0.30 -0.82 0.07 0.00 -0.02 0.00 0.00 41.25 40.18 3a7b s ASN 423 CO 0.86 0.04 1.06 0.42 -2.57 0.00 0.00 177.10 176.91 3a7b s THR 424 N 0.64 4.25 0.36 1.60 -4.23 -1.26 -4.42 115.64 112.58 3a7b s THR 424 Ca -0.14 -0.39 -0.16 0.00 -1.18 0.00 0.00 61.69 59.82 3a7b s THR 424 Cb -0.16 -4.75 -0.09 0.00 1.34 0.00 0.00 72.50 68.84 3a7b s THR 424 CO 0.04 -1.56 0.79 -0.36 -0.54 0.00 0.00 174.62 172.99 3a7b s PHE 425 N 4.24 3.38 0.82 3.99 0.40 -1.17 -4.57 117.98 125.07 3a7b s PHE 425 Ca 0.27 1.29 -0.11 0.00 -0.60 0.00 0.00 56.93 57.77 3a7b s PHE 425 Cb -0.13 -2.60 0.09 0.00 0.51 0.00 0.00 43.02 40.89 3a7b s PHE 425 CO 0.08 0.01 1.09 -1.01 0.70 0.00 0.00 175.22 176.08 3a7b s HIS 426 N -2.10 2.52 0.30 0.36 3.76 0.63 -4.77 115.29 116.00 3a7b s HIS 426 Ca 0.56 1.37 -0.29 0.00 -0.15 0.00 0.00 55.06 56.55 3a7b s HIS 426 Cb -0.10 -3.09 -0.12 0.00 1.11 0.00 0.00 32.58 30.37 3a7b s HIS 426 CO 0.19 -2.02 1.40 -2.30 -0.85 0.00 0.00 174.74 171.16 3a7b n PRO 427 N -3.65 2.25 -1.95 8.40 -0.02 -1.26 -4.78 135.00 133.99 3a7b n PRO 427 Ca 0.08 0.79 -0.33 0.00 -2.02 0.00 0.00 63.50 62.03 3a7b n PRO 427 Cb 0.54 -2.45 0.02 0.00 -0.02 0.00 0.00 33.50 31.59 3a7b n PRO 427 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a7b s MET 428 N -1.18 3.20 0.84 -0.52 0.23 -1.26 -4.98 119.30 115.61 3a7b s MET 428 Ca 0.61 1.21 -0.06 0.00 -1.03 0.00 0.00 55.69 56.42 3a7b s MET 428 Cb -0.57 -2.01 0.17 0.00 -1.53 0.00 0.00 34.83 30.89 3a7b s MET 428 CO 0.56 -0.91 1.14 -1.25 -2.03 0.00 0.00 175.02 172.53 3a7b s PRO 429 N -4.17 1.10 0.10 3.16 0.04 -1.26 -4.87 135.00 129.11 3a7b s PRO 429 Ca 0.64 -0.98 -0.09 0.00 0.04 0.00 0.00 61.00 60.60 3a7b s PRO 429 Cb -0.17 -2.14 -0.17 0.00 0.04 0.00 0.00 34.50 32.07 3a7b s PRO 429 CO 0.39 -1.94 1.25 -0.44 0.04 0.00 0.00 177.00 176.30 3a7b h ASP 430 N -1.02 0.74 -3.33 6.66 3.45 -1.94 -3.26 116.42 117.71 3a7b h ASP 430 Ca -0.38 -0.59 -0.67 0.00 0.43 0.00 0.00 57.03 55.82 3a7b h ASP 430 Cb 1.24 -0.23 -0.32 0.00 -0.56 0.00 0.00 39.33 39.47 3a7b h ASP 430 CO 0.35 1.39 -0.85 -0.55 -1.57 0.00 0.00 179.24 178.01 3a7b s SER 431 N -7.19 3.32 0.36 6.45 0.15 -1.26 -3.24 113.70 112.29 3a7b s SER 431 Ca -0.08 -0.50 0.07 0.00 0.70 0.00 0.00 55.95 56.14 3a7b s SER 431 Cb 0.08 -1.46 -0.03 0.00 -1.71 0.00 0.00 66.02 62.90 3a7b s SER 431 CO 0.90 0.16 0.25 0.00 1.20 0.00 0.00 173.24 175.75 3a7b s GLN 433 N -3.46 0.08 0.26 0.00 -0.21 -1.26 -5.03 119.66 110.03 3a7b s GLN 433 Ca 0.36 0.48 0.06 0.00 0.02 0.00 0.00 55.36 56.28 3a7b s GLN 433 Cb 0.02 -0.21 -0.06 0.00 1.00 0.00 0.00 33.01 33.77 3a7b s GLN 433 CO 0.25 -0.23 -0.06 -1.58 -2.12 0.00 0.00 175.29 171.56 3a7b s TRP 434 N 1.68 1.86 0.20 0.91 0.52 -1.26 -3.34 118.94 119.50 3a7b s TRP 434 Ca -0.04 -0.72 -0.32 0.00 0.02 0.00 0.00 56.10 55.04 3a7b s TRP 434 Cb -0.12 -1.04 -0.15 0.00 -1.15 0.00 0.00 33.47 31.02 3a7b s TRP 434 CO -0.06 0.24 1.33 -2.30 0.02 0.00 0.00 176.95 176.18 3a7b n PRO 435 N -0.53 1.66 -0.32 4.98 -0.02 -1.26 -4.85 135.00 134.65 3a7b n PRO 435 Ca -0.06 0.59 0.13 0.00 -2.02 0.00 0.00 63.50 62.15 3a7b n PRO 435 Cb 0.63 -2.20 0.27 0.00 -0.02 0.00 0.00 33.50 32.19 3a7b n PRO 435 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3a7b h GLU 436 N 4.08 0.05 -0.74 -0.52 4.81 -1.87 -1.53 114.58 118.85 3a7b h GLU 436 Ca -0.44 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.75 3a7b h GLU 436 Cb 1.30 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 3a7b h GLU 436 CO 0.75 0.03 0.05 1.63 -0.73 0.00 0.00 179.01 180.74 3a7b n LYS 437 N -5.43 3.51 -2.33 1.92 5.02 -1.26 -4.95 118.16 114.65 3a7b n LYS 437 Ca 0.22 -2.16 -0.43 0.00 -2.02 0.00 0.00 58.31 53.92 3a7b n LYS 437 Cb 0.71 -2.01 -0.02 0.00 -0.02 0.00 0.00 35.03 33.69 3a7b n LYS 437 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 3a7b s MET 438 N -2.22 3.99 -0.03 1.97 1.75 -0.58 -4.17 119.30 120.02 3a7b s MET 438 Ca 0.38 1.50 0.09 0.00 -1.25 0.00 0.00 55.69 56.41 3a7b s MET 438 Cb 0.29 -3.89 -0.13 0.00 2.84 0.00 0.00 34.83 33.95 3a7b s MET 438 CO 0.11 -1.03 0.16 2.89 -0.65 0.00 0.00 175.02 176.50 3a7b n ARG 439 N 7.18 0.75 -4.35 4.11 1.85 0.73 -3.97 116.66 122.96 3a7b n ARG 439 Ca 0.15 -0.07 -0.33 0.00 -1.00 0.00 0.00 57.85 56.61 3a7b n ARG 439 Cb 0.46 -1.21 -0.15 0.00 -1.05 0.00 0.00 32.46 30.50 3a7b n ARG 439 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 3a7b s PHE 440 N -2.53 2.80 -0.09 2.89 5.36 -0.57 0.02 117.98 125.85 3a7b s PHE 440 Ca -0.03 -1.19 0.00 0.00 -0.96 0.00 0.00 56.93 54.75 3a7b s PHE 440 Cb 0.05 -1.92 0.02 0.00 -0.34 0.00 0.00 43.02 40.83 3a7b s PHE 440 CO 0.36 -0.57 -0.06 -1.17 -1.46 0.00 0.00 175.22 172.31 3a7b s LEU 441 N 1.02 1.17 -0.34 6.12 2.96 -0.68 -0.52 118.68 128.42 3a7b s LEU 441 Ca -0.01 -0.23 -0.07 0.00 -0.22 0.00 0.00 54.13 53.60 3a7b s LEU 441 Cb -0.15 -0.70 0.04 0.00 0.50 0.00 0.00 46.19 45.88 3a7b s LEU 441 CO -0.04 -0.10 0.11 0.21 -1.32 0.00 0.00 176.35 175.21 3a7b s ASN 442 N 1.45 5.32 -0.25 3.68 3.84 0.03 -1.86 114.94 127.16 3a7b s ASN 442 Ca -0.01 -1.10 0.09 0.00 0.21 0.00 0.00 52.86 52.05 3a7b s ASN 442 Cb -0.13 -1.88 0.44 0.00 -0.55 0.00 0.00 41.25 39.13 3a7b s ASN 442 CO -0.04 -0.32 1.22 0.18 -2.79 0.00 0.00 177.10 175.35 3a7b n LEU 443 N 4.82 3.63 -4.78 3.21 4.77 0.14 -1.76 117.00 127.04 3a7b n LEU 443 Ca -0.13 -4.23 -0.37 0.00 -0.03 0.00 0.00 56.01 51.26 3a7b n LEU 443 Cb 0.45 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 3a7b n LEU 443 CO 0.32 1.67 0.79 -0.55 -1.33 0.00 0.00 177.39 178.29 3a7b s SER 444 N -3.35 6.45 -1.42 -1.43 0.15 -1.00 -3.68 113.70 109.42 3a7b s SER 444 Ca 0.43 2.19 -0.04 0.00 0.70 0.00 0.00 55.95 59.23 3a7b s SER 444 Cb 0.39 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 3a7b s SER 444 CO -0.03 -0.72 0.32 -1.20 1.20 0.00 0.00 173.24 172.82 3a7b n SER 445 N -0.28 -0.52 -0.06 5.45 7.64 -0.52 -0.98 113.62 124.35 3a7b n SER 445 Ca 0.06 -1.13 0.07 0.00 1.01 0.00 0.00 58.87 58.88 3a7b n SER 445 Cb 0.49 -2.46 -0.06 0.00 -1.01 0.00 0.00 64.21 61.16 3a7b n SER 445 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3a7b n THR 446 N -4.50 0.00 -0.47 0.44 5.66 -1.24 -1.98 114.28 112.18 3a7b n THR 446 Ca -0.29 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.50 3a7b n THR 446 Cb 0.67 1.03 0.00 0.00 -1.55 0.00 0.00 70.33 70.48 3a7b n THR 446 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3a7b n GLY 447 N 1.28 1.47 3.71 1.09 0.00 -1.26 -3.03 105.19 108.45 3a7b n GLY 447 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3a7b n GLY 447 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3a7b n ILE 448 N -2.00 3.24 -0.07 -0.61 -5.35 -1.26 -4.47 119.36 108.85 3a7b n ILE 448 Ca 0.00 -0.50 -0.04 0.00 -0.27 0.00 0.00 62.75 61.94 3a7b n ILE 448 Cb 0.00 -1.57 -0.16 0.00 -1.74 0.00 0.00 39.64 36.18 3a7b n ILE 448 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3a7b n ARG 449 N -0.54 0.68 -3.74 6.28 0.63 -1.26 -0.69 116.66 118.02 3a7b n ARG 449 Ca 0.09 -0.04 -0.12 0.00 -0.92 0.00 0.00 57.85 56.86 3a7b n ARG 449 Cb 0.43 -1.54 -0.07 0.00 0.45 0.00 0.00 32.46 31.72 3a7b n ARG 449 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3a7b s VAL 450 N -2.77 0.07 -0.13 5.15 0.11 -1.26 -4.07 120.40 117.50 3a7b s VAL 450 Ca -0.09 -0.62 -0.03 0.00 -2.93 0.00 0.00 61.98 58.31 3a7b s VAL 450 Cb 0.08 -0.91 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 3a7b s VAL 450 CO 0.85 -0.34 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.57 3a7b s VAL 451 N -2.42 4.11 0.41 2.04 1.01 -1.26 -4.79 120.40 119.50 3a7b s VAL 451 Ca -0.06 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.66 3a7b s VAL 451 Cb -0.01 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 3a7b s VAL 451 CO -0.02 0.54 0.05 -0.54 0.00 0.00 0.00 175.10 175.12 3a7b s LYS 452 N -0.17 1.92 0.00 2.72 1.02 -1.26 -4.81 119.74 119.15 3a7b s LYS 452 Ca 0.04 -2.13 0.00 0.00 0.02 0.00 0.00 55.97 53.90 3a7b s LYS 452 Cb -0.13 -1.16 0.00 0.00 -0.52 0.00 0.00 37.83 36.02 3a7b s LYS 452 CO 0.02 -0.26 0.32 0.25 -0.92 0.00 0.00 175.35 174.77 3a7b n THR 453 N -0.94 0.27 0.09 2.17 -2.24 -1.26 -2.21 114.28 110.16 3a7b n THR 453 Ca -0.08 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.55 3a7b n THR 453 Cb 0.66 -0.54 -0.14 0.00 -2.10 0.00 0.00 70.33 68.22 3a7b n THR 453 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a7b s ILE 455 N -2.66 3.15 0.65 0.00 1.09 -0.94 -4.48 121.20 118.01 3a7b s ILE 455 Ca -0.04 0.61 -0.14 0.00 -1.10 0.00 0.00 60.65 59.98 3a7b s ILE 455 Cb 0.07 -3.39 -0.01 0.00 -1.06 0.00 0.00 42.46 38.07 3a7b s ILE 455 CO 0.87 0.00 1.07 -2.16 -0.10 0.00 0.00 174.94 174.63 3a7b s PRO 456 N 2.47 3.01 0.00 2.79 0.04 -1.26 -4.96 135.00 137.10 3a7b s PRO 456 Ca 0.71 1.20 0.28 0.00 0.04 0.00 0.00 61.00 63.23 3a7b s PRO 456 Cb -0.38 -1.99 1.07 0.00 0.04 0.00 0.00 34.50 33.24 3a7b s PRO 456 CO 0.31 -1.06 1.78 1.04 0.04 0.00 0.00 177.00 179.11 3a7b n GLN 457 N -2.49 0.42 0.00 4.56 6.02 -1.26 -3.23 117.38 121.40 3a7b n GLN 457 Ca 0.09 -0.15 0.10 0.00 -0.01 0.00 0.00 57.00 57.03 3a7b n GLN 457 Cb 0.53 -1.50 0.50 0.00 1.02 0.00 0.00 30.24 30.79 3a7b n GLN 457 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3a7b n THR 458 N -1.16 0.41 -2.04 5.09 -2.24 -1.26 -4.39 114.28 108.69 3a7b n THR 458 Ca 0.11 0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.58 3a7b n THR 458 Cb 0.30 -0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 67.74 3a7b n THR 458 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3a7b s LEU 459 N -2.63 4.38 -0.03 3.22 1.02 -1.20 -4.51 118.68 118.93 3a7b s LEU 459 Ca 0.18 2.56 0.10 0.00 0.02 0.00 0.00 54.13 56.99 3a7b s LEU 459 Cb 0.14 -3.61 -0.16 0.00 0.02 0.00 0.00 46.19 42.58 3a7b s LEU 459 CO 0.32 -0.72 0.20 -0.62 0.02 0.00 0.00 176.35 175.55 3a7b n GLU 460 N 3.19 0.72 -3.80 1.70 1.02 0.10 -3.02 120.64 120.55 3a7b n GLU 460 Ca 0.10 -0.08 -0.19 0.00 -0.02 0.00 0.00 57.16 56.97 3a7b n GLU 460 Cb 0.40 -1.26 -0.17 0.00 -0.02 0.00 0.00 31.44 30.40 3a7b n GLU 460 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3a7b s VAL 461 N -2.65 0.10 -0.07 2.62 1.01 -0.12 -0.39 120.40 120.90 3a7b s VAL 461 Ca -0.04 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.15 3a7b s VAL 461 Cb 0.06 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.21 3a7b s VAL 461 CO 0.44 0.17 -0.04 -0.22 0.00 0.00 0.00 175.10 175.45 3a7b s LEU 462 N 1.55 1.09 -0.30 3.92 2.96 -0.91 -1.69 118.68 125.30 3a7b s LEU 462 Ca -0.02 -0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 53.67 3a7b s LEU 462 Cb -0.13 -0.56 0.03 0.00 0.50 0.00 0.00 46.19 46.03 3a7b s LEU 462 CO -0.03 -0.10 0.04 -0.62 -1.32 0.00 0.00 176.35 174.32 3a7b s ASP 463 N 1.40 4.96 -0.18 3.68 -1.08 -0.78 -1.75 116.67 122.92 3a7b s ASP 463 Ca -0.03 -0.94 0.15 0.00 -0.52 0.00 0.00 52.55 51.21 3a7b s ASP 463 Cb -0.13 -1.80 0.44 0.00 -1.46 0.00 0.00 42.92 39.96 3a7b s ASP 463 CO -0.03 -0.22 1.19 1.33 0.52 0.00 0.00 175.17 177.96 3a7b n VAL 464 N 4.77 1.63 -1.80 1.11 0.24 0.11 0.26 118.33 124.65 3a7b n VAL 464 Ca -0.14 -2.87 -0.31 0.00 -2.04 0.00 0.00 64.34 58.98 3a7b n VAL 464 Cb 0.46 0.05 0.03 0.00 -1.47 0.00 0.00 33.84 32.91 3a7b n VAL 464 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3a7b s SER 465 N -3.08 5.75 -1.08 -1.34 1.04 -0.92 -4.31 113.70 109.77 3a7b s SER 465 Ca 0.38 1.61 -0.15 0.00 0.48 0.00 0.00 55.95 58.27 3a7b s SER 465 Cb 0.38 -2.50 -0.03 0.00 0.10 0.00 0.00 66.02 63.97 3a7b s SER 465 CO -0.07 -1.19 0.82 -3.20 0.98 0.00 0.00 173.24 170.59 3a7b n ASN 466 N -2.70 -5.86 0.00 7.02 5.15 0.31 -1.44 115.26 117.74 3a7b n ASN 466 Ca 0.07 -0.88 0.00 0.00 -0.60 0.00 0.00 54.58 53.18 3a7b n ASN 466 Cb 0.54 -3.98 0.00 0.00 -0.53 0.00 0.00 39.78 35.80 3a7b n ASN 466 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3a7b n ASN 467 N -2.79 0.43 -2.57 1.20 5.03 -0.91 -2.75 115.26 112.90 3a7b n ASN 467 Ca -0.09 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.08 3a7b n ASN 467 Cb 0.60 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 39.36 3a7b n ASN 467 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3a7b n ASN 468 N 0.00 4.90 -4.80 6.41 4.13 0.13 -4.53 115.26 121.50 3a7b n ASN 468 Ca 0.00 -3.72 -0.38 0.00 1.68 0.00 0.00 54.58 52.16 3a7b n ASN 468 Cb 0.00 -0.52 -0.06 0.00 -1.54 0.00 0.00 39.78 37.66 3a7b n ASN 468 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3a7b s LEU 469 N -3.58 4.47 -0.23 3.41 1.02 -1.25 -4.20 118.68 118.32 3a7b s LEU 469 Ca 0.48 1.53 0.02 0.00 0.02 0.00 0.00 54.13 56.19 3a7b s LEU 469 Cb 0.39 -3.43 -0.16 0.00 0.02 0.00 0.00 46.19 43.01 3a7b s LEU 469 CO -0.20 0.12 -0.19 0.47 0.02 0.00 0.00 176.35 176.57 3a7b n ASP 470 N 1.17 2.10 -3.12 2.29 9.92 -1.26 -0.93 116.55 126.73 3a7b n ASP 470 Ca -0.04 -0.12 -0.10 0.00 -0.53 0.00 0.00 54.79 54.00 3a7b n ASP 470 Cb 0.50 -0.31 0.00 0.00 -0.64 0.00 0.00 41.12 40.68 3a7b n ASP 470 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3a7b s SER 471 N -6.22 0.19 -0.05 -2.24 1.04 -1.26 -4.12 113.70 101.04 3a7b s SER 471 Ca -0.30 -1.17 -0.01 0.00 0.48 0.00 0.00 55.95 54.94 3a7b s SER 471 Cb 0.08 0.79 0.03 0.00 0.10 0.00 0.00 66.02 67.02 3a7b s SER 471 CO 0.55 -1.55 0.03 0.12 0.98 0.00 0.00 173.24 173.36 3a7b s PHE 472 N -2.68 0.36 -0.07 5.02 5.36 -1.26 -4.71 117.98 120.00 3a7b s PHE 472 Ca 0.19 0.04 0.19 0.00 -0.96 0.00 0.00 56.93 56.39 3a7b s PHE 472 Cb -0.04 -0.61 0.39 0.00 -0.34 0.00 0.00 43.02 42.41 3a7b s PHE 472 CO 0.13 -0.24 1.17 0.43 -1.46 0.00 0.00 175.22 175.25 3a7b n SER 473 N 5.09 1.18 -4.69 6.13 7.64 -1.26 -4.54 113.62 123.16 3a7b n SER 473 Ca -0.08 -2.61 -0.38 0.00 1.01 0.00 0.00 58.87 56.82 3a7b n SER 473 Cb 0.50 -0.36 -0.07 0.00 -1.01 0.00 0.00 64.21 63.27 3a7b n SER 473 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3a7b s LEU 474 N -1.07 4.20 -0.41 -3.43 2.96 -1.26 -5.04 118.68 114.63 3a7b s LEU 474 Ca 0.32 0.61 -0.24 0.00 -0.22 0.00 0.00 54.13 54.61 3a7b s LEU 474 Cb 0.35 -2.57 0.02 0.00 0.50 0.00 0.00 46.19 44.49 3a7b s LEU 474 CO -0.12 -0.04 0.81 0.12 -1.32 0.00 0.00 176.35 175.80 3a7b s PHE 475 N 1.04 3.03 -0.56 5.38 5.99 -1.26 -4.89 117.98 126.71 3a7b s PHE 475 Ca 0.21 0.37 0.04 0.00 0.00 0.00 0.00 56.93 57.55 3a7b s PHE 475 Cb -0.15 -3.60 0.14 0.00 0.00 0.00 0.00 43.02 39.41 3a7b s PHE 475 CO 0.08 -0.90 0.32 -0.51 -0.00 0.00 0.00 175.22 174.21 3a7b s LEU 476 N 3.28 4.41 0.38 6.12 1.43 -1.16 -4.93 118.68 128.22 3a7b s LEU 476 Ca 0.32 -3.22 0.22 0.00 -1.03 0.00 0.00 54.13 50.42 3a7b s LEU 476 Cb -0.12 -1.63 1.28 0.00 0.03 0.00 0.00 46.19 45.74 3a7b s LEU 476 CO 0.21 -0.20 1.63 -0.65 0.23 0.00 0.00 176.35 177.57 3a7b h PRO 477 N 6.23 0.15 -0.67 1.29 0.11 -1.82 -0.46 132.00 136.83 3a7b h PRO 477 Ca -0.03 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3a7b h PRO 477 Cb 0.86 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3a7b h PRO 477 CO 0.69 0.10 0.00 0.54 -0.21 0.00 0.00 178.00 179.12 3a7b n ARG 478 N -4.99 2.71 -1.85 1.05 1.74 -1.26 -4.34 116.66 109.72 3a7b n ARG 478 Ca 0.35 -2.57 -0.43 0.00 -0.77 0.00 0.00 57.85 54.43 3a7b n ARG 478 Cb 1.22 -1.54 -0.03 0.00 -1.02 0.00 0.00 32.46 31.10 3a7b n ARG 478 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3a7b s LEU 479 N -1.05 3.83 0.00 0.55 2.96 -0.18 -4.32 118.68 120.47 3a7b s LEU 479 Ca 0.46 1.89 0.18 0.00 -0.22 0.00 0.00 54.13 56.44 3a7b s LEU 479 Cb 0.24 -3.52 -0.18 0.00 0.50 0.00 0.00 46.19 43.22 3a7b s LEU 479 CO 0.32 -1.48 0.64 0.00 -1.32 0.00 0.00 176.35 174.50 3a7b n GLN 480 N 8.06 0.64 -3.76 1.98 6.02 0.48 -2.87 117.38 127.93 3a7b n GLN 480 Ca 0.23 0.11 -0.13 0.00 -0.01 0.00 0.00 57.00 57.20 3a7b n GLN 480 Cb 0.44 -1.71 -0.13 0.00 1.02 0.00 0.00 30.24 29.87 3a7b n GLN 480 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3a7b s GLU 481 N -2.95 0.22 -0.05 -1.09 2.12 -0.84 0.43 118.70 116.54 3a7b s GLU 481 Ca -0.05 0.41 0.03 0.00 0.36 0.00 0.00 54.97 55.72 3a7b s GLU 481 Cb 0.09 -0.01 0.01 0.00 0.26 0.00 0.00 34.13 34.48 3a7b s GLU 481 CO 0.83 -0.10 -0.13 -1.17 -0.54 0.00 0.00 175.26 174.15 3a7b s LEU 482 N 0.72 1.76 -0.29 2.70 2.96 -0.27 -2.15 118.68 124.11 3a7b s LEU 482 Ca -0.05 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 3a7b s LEU 482 Cb -0.06 -0.82 0.07 0.00 0.50 0.00 0.00 46.19 45.88 3a7b s LEU 482 CO -0.04 0.08 -0.05 -0.47 -1.32 0.00 0.00 176.35 174.55 3a7b s TYR 483 N 0.37 3.42 -0.02 5.38 6.14 -0.71 -0.62 117.35 131.31 3a7b s TYR 483 Ca -0.09 -2.49 0.02 0.00 0.64 0.00 0.00 57.07 55.15 3a7b s TYR 483 Cb -0.13 -2.27 0.04 0.00 0.42 0.00 0.00 41.96 40.02 3a7b s TYR 483 CO 0.03 -0.90 0.85 1.51 0.64 0.00 0.00 175.55 177.68 3a7b n ILE 484 N 4.40 0.68 -1.29 3.14 0.00 0.94 0.09 119.36 127.31 3a7b n ILE 484 Ca -0.08 -0.73 -0.35 0.00 0.00 0.00 0.00 62.75 61.59 3a7b n ILE 484 Cb 0.42 0.58 0.10 0.00 0.00 0.00 0.00 39.64 40.74 3a7b n ILE 484 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 3a7b n SER 485 N -0.40 0.89 -2.94 9.51 7.64 -0.88 -4.03 113.62 123.41 3a7b n SER 485 Ca 0.02 0.65 -0.12 0.00 1.01 0.00 0.00 58.87 60.43 3a7b n SER 485 Cb 0.43 -1.47 0.06 0.00 -1.01 0.00 0.00 64.21 62.22 3a7b n SER 485 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3a7b n ARG 486 N -2.46 -1.97 -1.64 1.43 1.74 -0.61 -0.53 116.66 112.61 3a7b n ARG 486 Ca 0.14 0.71 0.00 0.00 -0.77 0.00 0.00 57.85 57.93 3a7b n ARG 486 Cb 0.50 -5.07 0.00 0.00 -1.02 0.00 0.00 32.46 26.87 3a7b n ARG 486 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3a7b n ASN 487 N -2.91 0.00 -1.43 0.55 4.13 -1.04 -2.08 115.26 112.48 3a7b n ASN 487 Ca -0.06 -0.94 -0.04 0.00 1.68 0.00 0.00 54.58 55.21 3a7b n ASN 487 Cb 0.60 0.00 0.24 0.00 -1.54 0.00 0.00 39.78 39.08 3a7b n ASN 487 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3a7b n LYS 488 N 0.00 2.62 -2.34 3.52 5.02 -0.10 -4.28 118.16 122.59 3a7b n LYS 488 Ca 0.00 -3.05 -0.43 0.00 -2.02 0.00 0.00 58.31 52.81 3a7b n LYS 488 Cb 0.00 -1.97 -0.02 0.00 -0.02 0.00 0.00 35.03 33.02 3a7b n LYS 488 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3a7b s LEU 489 N -3.09 4.25 0.03 -0.35 1.02 -1.18 -4.65 118.68 114.71 3a7b s LEU 489 Ca 0.48 1.88 0.23 0.00 0.02 0.00 0.00 54.13 56.74 3a7b s LEU 489 Cb 0.41 -3.55 0.19 0.00 0.02 0.00 0.00 46.19 43.26 3a7b s LEU 489 CO 0.07 -0.73 1.17 2.29 0.02 0.00 0.00 176.35 179.17 3a7b n LYS 490 N 6.05 0.15 -3.95 1.70 2.85 -1.26 -3.95 118.16 119.76 3a7b n LYS 490 Ca 0.13 0.01 -0.16 0.00 -1.05 0.00 0.00 58.31 57.24 3a7b n LYS 490 Cb 0.45 -1.56 -0.16 0.00 -0.65 0.00 0.00 35.03 33.11 3a7b n LYS 490 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 3a7b s THR 491 N -3.10 0.18 0.13 0.58 -1.32 -1.26 -4.01 115.64 106.84 3a7b s THR 491 Ca 0.07 0.04 -0.35 0.00 -1.21 0.00 0.00 61.69 60.24 3a7b s THR 491 Cb 0.16 -0.25 -0.16 0.00 -1.51 0.00 0.00 72.50 70.74 3a7b s THR 491 CO 0.77 0.12 1.31 -0.11 -2.21 0.00 0.00 174.62 174.50 3a7b n LEU 492 N 3.87 1.82 -4.64 9.08 7.94 -1.26 -4.89 117.00 128.91 3a7b n LEU 492 Ca -0.24 1.12 -0.34 0.00 -1.11 0.00 0.00 56.01 55.45 3a7b n LEU 492 Cb 0.52 -1.23 0.12 0.00 0.53 0.00 0.00 43.42 43.36 3a7b n LEU 492 CO 0.23 -1.03 0.61 -0.81 -1.11 0.00 0.00 177.39 175.29 3a7b n PRO 493 N 2.32 0.18 -1.72 1.96 -0.04 -1.26 -4.85 135.00 131.59 3a7b n PRO 493 Ca 0.17 0.13 -0.42 0.00 -0.04 0.00 0.00 63.50 63.34 3a7b n PRO 493 Cb 0.22 -2.32 -0.02 0.00 -0.04 0.00 0.00 33.50 31.34 3a7b n PRO 493 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3a7b n ASP 494 N -2.72 3.82 0.30 3.54 4.64 -1.26 -4.90 116.55 119.96 3a7b n ASP 494 Ca 0.13 1.10 0.19 0.00 -1.38 0.00 0.00 54.79 54.83 3a7b n ASP 494 Cb 0.50 -1.56 0.87 0.00 -1.04 0.00 0.00 41.12 39.89 3a7b n ASP 494 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3a7b h ALA 495 N 5.78 1.01 0.00 -1.67 0.00 -1.95 -2.59 119.26 119.84 3a7b h ALA 495 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3a7b h ALA 495 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3a7b h ALA 495 CO 0.88 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 179.01 3a7b n SER 496 N -3.12 0.05 0.19 0.00 3.41 -1.26 -2.33 113.62 110.56 3a7b n SER 496 Ca -0.01 0.51 0.08 0.00 -0.26 0.00 0.00 58.87 59.20 3a7b n SER 496 Cb 0.22 -0.52 0.14 0.00 -0.26 0.00 0.00 64.21 63.79 3a7b n SER 496 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3a7b h LEU 497 N 0.00 0.00 -6.19 1.04 3.38 -1.80 -3.38 115.31 108.36 3a7b h LEU 497 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 3a7b h LEU 497 Cb 0.29 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 40.62 3a7b h LEU 497 CO 0.00 0.20 -0.64 0.49 0.09 0.00 0.00 178.44 178.58 3a7b n PHE 498 N -3.16 3.25 -0.15 1.13 3.01 -0.99 -3.01 117.46 117.55 3a7b n PHE 498 Ca 0.03 -4.10 -0.03 0.00 1.01 0.00 0.00 57.45 54.35 3a7b n PHE 498 Cb 0.60 -0.54 0.06 0.00 -0.01 0.00 0.00 39.48 39.59 3a7b n PHE 498 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3a7b h PRO 499 N 4.18 0.31 -0.59 -1.08 0.13 -1.76 -2.98 132.00 130.21 3a7b h PRO 499 Ca 0.19 -0.02 -0.14 0.00 -0.87 0.00 0.00 66.00 65.16 3a7b h PRO 499 Cb 0.68 -0.07 -0.08 0.00 0.13 0.00 0.00 31.00 31.66 3a7b h PRO 499 CO 0.80 0.21 0.15 1.33 -0.23 0.00 0.00 178.00 180.26 3a7b n VAL 500 N -5.03 2.77 -1.65 1.56 0.24 -1.26 -4.58 118.33 110.38 3a7b n VAL 500 Ca 0.05 -1.75 -0.44 0.00 -2.04 0.00 0.00 64.34 60.16 3a7b n VAL 500 Cb 0.20 -0.32 -0.03 0.00 -1.47 0.00 0.00 33.84 32.21 3a7b n VAL 500 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3a7b n LEU 501 N -0.19 3.82 -0.03 1.34 0.00 -1.13 -4.52 117.00 116.30 3a7b n LEU 501 Ca 0.35 0.78 -0.10 0.00 0.00 0.00 0.00 56.01 57.03 3a7b n LEU 501 Cb 1.24 -1.49 -0.14 0.00 0.00 0.00 0.00 43.42 43.03 3a7b n LEU 501 CO 0.35 -0.03 -0.65 0.18 0.00 0.00 0.00 177.39 177.24 3a7b n LEU 502 N 8.17 1.01 -3.84 -1.96 4.77 0.17 -2.33 117.00 122.99 3a7b n LEU 502 Ca 0.23 0.33 -0.15 0.00 -0.03 0.00 0.00 56.01 56.40 3a7b n LEU 502 Cb 0.39 0.04 -0.15 0.00 -2.33 0.00 0.00 43.42 41.37 3a7b n LEU 502 CO 0.69 0.47 -0.37 -0.69 -1.33 0.00 0.00 177.39 176.16 3a7b s VAL 503 N -2.58 0.08 -0.04 4.08 1.01 -0.06 -0.76 120.40 122.14 3a7b s VAL 503 Ca -0.08 0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.97 3a7b s VAL 503 Cb 0.08 -0.14 0.01 0.00 0.00 0.00 0.00 36.38 36.33 3a7b s VAL 503 CO 0.82 0.08 -0.07 -0.32 0.00 0.00 0.00 175.10 175.60 3a7b s MET 504 N 0.53 0.99 -0.15 2.72 1.75 -0.86 -1.11 119.30 123.16 3a7b s MET 504 Ca -0.05 -0.23 0.01 0.00 -1.25 0.00 0.00 55.69 54.17 3a7b s MET 504 Cb -0.07 -0.92 0.02 0.00 2.84 0.00 0.00 34.83 36.70 3a7b s MET 504 CO -0.01 0.02 -0.17 0.15 -0.65 0.00 0.00 175.02 174.36 3a7b s LYS 505 N 0.55 2.55 -0.10 4.11 1.02 0.20 -0.91 119.74 127.17 3a7b s LYS 505 Ca -0.09 -0.66 0.18 0.00 0.02 0.00 0.00 55.97 55.43 3a7b s LYS 505 Cb -0.12 -2.25 0.35 0.00 -0.52 0.00 0.00 37.83 35.29 3a7b s LYS 505 CO 0.01 -0.20 1.16 1.51 -0.92 0.00 0.00 175.35 176.92 3a7b n ILE 506 N 4.62 0.29 -0.83 2.17 3.06 -0.92 -0.04 119.36 127.70 3a7b n ILE 506 Ca -0.19 -1.22 -0.29 0.00 -2.50 0.00 0.00 62.75 58.56 3a7b n ILE 506 Cb 0.50 0.96 0.22 0.00 0.54 0.00 0.00 39.64 41.86 3a7b n ILE 506 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3a7b s ALA 507 N -0.85 0.21 -1.20 1.51 0.00 -1.18 -3.98 121.76 116.27 3a7b s ALA 507 Ca 0.22 -0.21 -0.33 0.00 0.00 0.00 0.00 51.96 51.64 3a7b s ALA 507 Cb 0.30 -3.19 0.04 0.00 0.00 0.00 0.00 23.12 20.26 3a7b s ALA 507 CO -0.10 -3.37 0.70 0.43 0.00 0.00 0.00 175.76 173.42 3a7b n SER 508 N -4.57 -4.32 0.00 0.00 7.64 -0.81 -1.58 113.62 109.99 3a7b n SER 508 Ca 0.04 -1.26 0.00 0.00 1.01 0.00 0.00 58.87 58.66 3a7b n SER 508 Cb 0.55 -1.88 0.00 0.00 -1.01 0.00 0.00 64.21 61.87 3a7b n SER 508 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3a7b n ASN 509 N -2.22 0.20 -1.34 6.43 3.02 -1.24 -2.50 115.26 117.61 3a7b n ASN 509 Ca -0.11 -0.63 -0.06 0.00 -0.03 0.00 0.00 54.58 53.75 3a7b n ASN 509 Cb 0.57 0.17 0.02 0.00 -0.61 0.00 0.00 39.78 39.93 3a7b n ASN 509 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a7b n GLN 510 N -0.17 -1.99 -3.52 3.52 6.02 -1.26 -3.08 117.38 116.90 3a7b n GLN 510 Ca 0.00 0.21 -0.38 0.00 -0.01 0.00 0.00 57.00 56.82 3a7b n GLN 510 Cb 0.09 -3.36 -0.06 0.00 1.02 0.00 0.00 30.24 27.92 3a7b n GLN 510 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3a7b s LEU 511 N -2.68 4.46 -0.16 1.08 1.43 -1.25 -4.21 118.68 117.35 3a7b s LEU 511 Ca 0.13 0.94 0.16 0.00 -1.03 0.00 0.00 54.13 54.32 3a7b s LEU 511 Cb -0.06 -2.60 -0.22 0.00 0.03 0.00 0.00 46.19 43.35 3a7b s LEU 511 CO 0.19 0.32 0.09 0.29 0.23 0.00 0.00 176.35 177.46 3a7b n LYS 512 N 1.76 1.15 -3.67 1.70 5.02 -1.26 -3.28 118.16 119.58 3a7b n LYS 512 Ca -0.14 -0.02 -0.05 0.00 -2.02 0.00 0.00 58.31 56.08 3a7b n LYS 512 Cb 0.52 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 34.08 3a7b n LYS 512 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3a7b s SER 513 N -5.03 -0.25 0.18 4.39 1.04 -1.26 -1.70 113.70 111.06 3a7b s SER 513 Ca -0.08 -0.28 0.11 0.00 0.48 0.00 0.00 55.95 56.18 3a7b s SER 513 Cb 0.06 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 3a7b s SER 513 CO 0.71 -0.84 -0.23 0.68 0.98 0.00 0.00 173.24 174.54 3a7b s VAL 514 N -3.29 2.46 0.34 5.02 -7.23 -1.26 -4.71 120.40 111.73 3a7b s VAL 514 Ca 0.10 -1.91 -0.29 0.00 -1.81 0.00 0.00 61.98 58.07 3a7b s VAL 514 Cb -0.01 -2.17 -0.11 0.00 0.56 0.00 0.00 36.38 34.65 3a7b s VAL 514 CO -0.02 -0.07 1.44 -2.84 -0.31 0.00 0.00 175.10 173.30 3a7b s PRO 515 N -2.55 4.21 0.34 4.82 0.02 -1.26 -4.90 135.00 135.69 3a7b s PRO 515 Ca 0.20 2.43 -0.28 0.00 0.02 0.00 0.00 61.00 63.36 3a7b s PRO 515 Cb -0.09 -3.02 -0.12 0.00 0.02 0.00 0.00 34.50 31.29 3a7b s PRO 515 CO 0.10 -0.42 1.37 -0.25 -0.33 0.00 0.00 177.00 177.47 3a7b n ASP 516 N 0.99 3.12 0.00 2.53 9.92 -1.26 -1.86 116.55 130.00 3a7b n ASP 516 Ca 0.02 1.21 0.00 0.00 -0.53 0.00 0.00 54.79 55.49 3a7b n ASP 516 Cb 0.40 -1.53 0.00 0.00 -0.64 0.00 0.00 41.12 39.35 3a7b n ASP 516 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3a7b n GLY 517 N 0.86 0.23 0.33 0.44 0.00 -1.26 -4.88 105.19 100.91 3a7b n GLY 517 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 3a7b n GLY 517 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3a7b h ILE 518 N 0.00 0.53 0.00 -0.61 6.09 -1.74 -0.41 117.51 121.36 3a7b h ILE 518 Ca 0.00 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 3a7b h ILE 518 Cb 0.38 -0.01 0.00 0.00 0.47 0.00 0.00 36.82 37.65 3a7b h ILE 518 CO 0.00 0.09 0.00 -0.26 -3.07 0.00 0.00 178.15 174.91 3a7b h PHE 519 N 0.50 0.00 -0.04 2.19 0.04 -1.90 -0.67 116.94 117.06 3a7b h PHE 519 Ca 0.58 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 61.27 3a7b h PHE 519 Cb 1.08 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.22 3a7b h PHE 519 CO -0.08 0.00 -0.34 -0.44 -0.60 0.00 0.00 178.31 176.85 3a7b h ASP 520 N 0.00 0.07 1.21 2.17 3.32 -1.47 -2.01 116.42 119.72 3a7b h ASP 520 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3a7b h ASP 520 Cb 0.28 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3a7b h ASP 520 CO 0.00 0.42 0.00 0.03 -1.72 0.00 0.00 179.24 177.97 3a7b h ARG 521 N 0.06 0.00 -2.79 3.56 3.08 -1.23 -3.30 114.38 113.76 3a7b h ARG 521 Ca 0.01 0.00 -0.79 0.00 0.07 0.00 0.00 59.98 59.27 3a7b h ARG 521 Cb 0.64 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 30.40 3a7b h ARG 521 CO 0.05 0.00 0.67 1.28 -1.07 0.00 0.00 179.97 180.90 3a7b n LEU 522 N -2.77 6.26 0.00 3.04 4.77 -0.75 -4.87 117.00 122.68 3a7b n LEU 522 Ca 0.02 -5.26 0.00 0.00 -0.03 0.00 0.00 56.01 50.75 3a7b n LEU 522 Cb 0.35 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 3a7b n LEU 522 CO 0.27 1.76 0.19 0.35 -1.33 0.00 0.00 177.39 178.64 3a7b n THR 523 N 1.15 0.00 -0.08 -5.08 -2.24 -1.24 -1.85 114.28 104.94 3a7b n THR 523 Ca 0.28 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 3a7b n THR 523 Cb 0.33 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 3a7b n THR 523 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3a7b n SER 524 N -0.88 0.23 -4.66 3.42 7.64 -1.26 -5.08 113.62 113.03 3a7b n SER 524 Ca 0.00 -0.57 -0.50 0.00 1.01 0.00 0.00 58.87 58.82 3a7b n SER 524 Cb 0.00 0.52 -0.05 0.00 -1.01 0.00 0.00 64.21 63.67 3a7b n SER 524 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3a7b n LEU 525 N -0.52 2.75 0.00 -3.43 7.94 -0.77 -4.37 117.00 118.59 3a7b n LEU 525 Ca 0.00 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.96 3a7b n LEU 525 Cb 0.02 -1.32 0.00 0.00 0.53 0.00 0.00 43.42 42.65 3a7b n LEU 525 CO 0.00 -0.43 -0.48 0.00 -1.11 0.00 0.00 177.39 175.37 3a7b n GLN 526 N 4.32 3.74 -3.98 1.96 10.64 0.06 -5.02 117.38 129.11 3a7b n GLN 526 Ca 0.20 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.24 3a7b n GLN 526 Cb 0.24 -0.98 -0.14 0.00 -0.86 0.00 0.00 30.24 28.50 3a7b n GLN 526 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 3a7b s LYS 527 N -1.97 0.19 -0.09 2.61 1.02 -0.94 -4.36 119.74 116.22 3a7b s LYS 527 Ca 0.00 -0.17 -0.11 0.00 0.02 0.00 0.00 55.97 55.72 3a7b s LYS 527 Cb 0.00 -0.13 0.03 0.00 -0.52 0.00 0.00 37.83 37.21 3a7b s LYS 527 CO 0.00 0.03 0.29 -1.50 -0.92 0.00 0.00 175.35 173.25 3a7b s ILE 528 N -0.28 0.02 -0.25 2.17 2.07 -1.02 -2.03 121.20 121.88 3a7b s ILE 528 Ca -0.02 -0.12 -0.05 0.00 -1.41 0.00 0.00 60.65 59.05 3a7b s ILE 528 Cb -0.02 -0.45 -0.00 0.00 0.13 0.00 0.00 42.46 42.12 3a7b s ILE 528 CO -0.00 -0.07 -0.00 0.26 -1.91 0.00 0.00 174.94 173.22 3a7b s TRP 529 N -0.19 3.03 0.00 3.50 0.51 -0.09 -1.08 118.94 124.62 3a7b s TRP 529 Ca -0.03 -0.97 0.00 0.00 -2.12 0.00 0.00 56.10 52.98 3a7b s TRP 529 Cb -0.03 -2.15 0.00 0.00 -0.81 0.00 0.00 33.47 30.48 3a7b s TRP 529 CO 0.01 -0.56 0.03 1.28 -0.51 0.00 0.00 176.95 177.20 3a7b n LEU 530 N 4.81 0.06 -4.63 2.99 4.77 -1.26 -2.17 117.00 121.57 3a7b n LEU 530 Ca -0.17 -0.50 -0.32 0.00 -0.03 0.00 0.00 56.01 54.99 3a7b n LEU 530 Cb 0.50 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.75 3a7b n LEU 530 CO 0.29 0.01 0.55 0.00 -1.33 0.00 0.00 177.39 176.92 3a7b n HIS 531 N -0.89 0.49 -3.22 -1.77 1.44 -1.26 -4.04 115.22 105.97 3a7b n HIS 531 Ca 0.00 0.37 -0.15 0.00 -2.01 0.00 0.00 57.72 55.93 3a7b n HIS 531 Cb 0.00 -1.97 0.07 0.00 0.12 0.00 0.00 29.99 28.21 3a7b n HIS 531 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 3a7b n THR 532 N -4.08 -3.86 -4.18 0.61 -1.04 -1.26 -1.92 114.28 98.55 3a7b n THR 532 Ca 0.11 -0.25 -0.18 0.00 -2.04 0.00 0.00 64.05 61.70 3a7b n THR 532 Cb 0.52 -4.10 -0.12 0.00 -1.82 0.00 0.00 70.33 64.81 3a7b n THR 532 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3a7b s ASN 533 N -3.77 1.66 -1.43 8.00 0.01 -1.26 -2.31 114.94 115.84 3a7b s ASN 533 Ca 0.17 -0.67 -0.09 0.00 -0.71 0.00 0.00 52.86 51.57 3a7b s ASN 533 Cb -0.08 -0.04 -0.09 0.00 0.41 0.00 0.00 41.25 41.45 3a7b s ASN 533 CO 0.58 -0.11 3.00 -0.81 -1.51 0.00 0.00 177.10 178.24 3a7b n PRO 534 N 1.09 3.58 -1.66 -0.60 -0.04 -1.20 -4.77 135.00 131.40 3a7b n PRO 534 Ca -0.20 -2.16 -0.42 0.00 -0.04 0.00 0.00 63.50 60.68 3a7b n PRO 534 Cb 0.55 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 3a7b n PRO 534 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3a7b n TRP 535 N 3.32 1.82 -3.55 0.54 7.02 -1.23 -4.43 117.44 120.92 3a7b n TRP 535 Ca 0.74 0.56 -0.41 0.00 -1.02 0.00 0.00 57.50 57.37 3a7b n TRP 535 Cb 0.31 -2.33 -0.10 0.00 -2.42 0.00 0.00 31.31 26.77 3a7b n TRP 535 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3a7b s ASP 536 N -0.52 5.76 0.01 -0.99 2.15 -0.69 -1.73 116.67 120.66 3a7b s ASP 536 Ca 0.59 -1.39 -0.14 0.00 0.43 0.00 0.00 52.55 52.04 3a7b s ASP 536 Cb -0.57 -2.04 -0.06 0.00 -0.30 0.00 0.00 42.92 39.96 3a7b s ASP 536 CO 0.59 -0.54 0.41 0.00 -0.17 0.00 0.00 175.17 175.46 3a7b n SER 538 N 1.76 0.00 -0.10 0.00 3.41 -1.26 -5.03 113.62 112.39 3a7b n SER 538 Ca -0.14 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.27 3a7b n SER 538 Cb 0.52 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.41 3a7b n SER 538 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a7b n PRO 540 N -4.14 0.37 -4.47 0.00 -0.04 -1.26 -4.59 135.00 120.87 3a7b n PRO 540 Ca -0.37 0.07 -0.24 0.00 -0.04 0.00 0.00 63.50 62.92 3a7b n PRO 540 Cb 0.72 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.60 3a7b n PRO 540 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3a7b s ARG 541 N -2.47 1.90 0.00 0.54 0.52 -1.26 -4.87 118.95 113.31 3a7b s ARG 541 Ca 0.22 -2.15 0.00 0.00 -0.52 0.00 0.00 55.73 53.28 3a7b s ARG 541 Cb 0.14 -0.41 0.00 0.00 0.52 0.00 0.00 34.95 35.20 3a7b s ARG 541 CO 0.31 -0.52 0.00 0.44 0.02 0.00 0.00 175.30 175.55 3a7b n ILE 542 N -0.85 0.00 0.08 1.52 -6.64 -1.26 -4.23 119.36 107.98 3a7b n ILE 542 Ca -0.03 0.00 -0.09 0.00 -1.77 0.00 0.00 62.75 60.85 3a7b n ILE 542 Cb 0.64 0.00 0.01 0.00 -1.44 0.00 0.00 39.64 38.85 3a7b n ILE 542 CO 0.00 0.00 0.00 -0.78 -1.77 0.00 0.00 176.55 174.00 3a7b h ASP 543 N 0.00 0.34 0.45 7.28 3.58 -1.85 -2.29 116.42 123.94 3a7b h ASP 543 Ca 0.00 -0.26 -0.02 0.00 0.42 0.00 0.00 57.03 57.17 3a7b h ASP 543 Cb 0.33 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.28 3a7b h ASP 543 CO 0.00 1.03 -0.22 0.22 -2.88 0.00 0.00 179.24 177.40 3a7b h TYR 544 N 0.16 -0.56 -0.50 0.28 3.20 -1.96 -2.76 116.97 114.83 3a7b h TYR 544 Ca -0.04 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.91 3a7b h TYR 544 Cb 1.44 0.18 -0.10 0.00 1.54 0.00 0.00 36.73 39.79 3a7b h TYR 544 CO 0.04 -0.33 -0.28 1.25 -1.64 0.00 0.00 178.16 177.19 3a7b h LEU 545 N -1.15 -0.97 -0.12 2.82 5.85 -1.91 0.11 115.31 119.94 3a7b h LEU 545 Ca -0.06 0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.88 3a7b h LEU 545 Cb 0.48 0.49 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 3a7b h LEU 545 CO 0.10 -0.29 -0.35 -1.28 -0.34 0.00 0.00 178.44 176.28 3a7b h SER 546 N -0.17 -1.13 -0.98 1.25 0.87 -1.50 0.30 113.55 112.19 3a7b h SER 546 Ca 0.22 0.14 0.03 0.00 -1.23 0.00 0.00 61.79 60.95 3a7b h SER 546 Cb 0.52 0.45 -0.05 0.00 -0.44 0.00 0.00 62.40 62.87 3a7b h SER 546 CO -0.60 -0.30 0.64 0.03 -0.53 0.00 0.00 176.83 176.07 3a7b h ARG 547 N -0.35 1.22 -0.10 2.24 3.08 -1.17 0.35 114.38 119.65 3a7b h ARG 547 Ca 0.03 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3a7b h ARG 547 Cb 0.43 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 3a7b h ARG 547 CO -0.30 0.81 0.04 2.35 -1.07 0.00 0.00 179.97 181.79 3a7b h TRP 548 N 1.26 0.15 -0.70 3.04 7.01 -0.29 -0.94 115.95 125.48 3a7b h TRP 548 Ca 0.38 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.36 3a7b h TRP 548 Cb -0.04 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 26.94 3a7b h TRP 548 CO -0.00 0.26 0.41 -0.07 -2.79 0.00 0.00 178.44 176.25 3a7b h LEU 549 N -0.01 0.83 -0.42 0.65 3.38 -0.11 -0.87 115.31 118.76 3a7b h LEU 549 Ca 0.03 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3a7b h LEU 549 Cb 0.18 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3a7b h LEU 549 CO -0.00 0.65 0.21 -1.13 0.09 0.00 0.00 178.44 178.26 3a7b h ASN 550 N 0.96 0.55 -0.55 -0.43 -0.73 -0.41 -2.89 115.58 112.07 3a7b h ASN 550 Ca 0.25 -0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.30 3a7b h ASN 550 Cb -0.02 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.43 3a7b h ASN 550 CO -0.05 0.51 0.00 2.29 -0.37 0.00 0.00 177.43 179.81 3a7b n LYS 551 N -4.69 3.76 -2.71 6.67 2.85 -0.40 -4.07 118.16 119.58 3a7b n LYS 551 Ca 0.01 -2.61 -0.04 0.00 -1.05 0.00 0.00 58.31 54.62 3a7b n LYS 551 Cb 0.10 -1.95 0.05 0.00 -0.65 0.00 0.00 35.03 32.58 3a7b n LYS 551 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3a7b n ASN 552 N 0.83 2.12 0.23 -5.58 3.02 -0.37 -4.88 115.26 110.63 3a7b n ASN 552 Ca 0.23 -2.31 0.08 0.00 -0.03 0.00 0.00 54.58 52.56 3a7b n ASN 552 Cb 0.90 -0.46 0.62 0.00 -0.61 0.00 0.00 39.78 40.23 3a7b n ASN 552 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3a7b h SER 553 N 2.54 0.04 0.36 6.41 4.64 -1.68 -0.04 113.55 125.83 3a7b h SER 553 Ca -0.06 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 3a7b h SER 553 Cb 1.31 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3a7b h SER 553 CO 0.28 0.03 -0.12 0.06 -0.87 0.00 0.00 176.83 176.21 3a7b h GLN 554 N 0.05 0.00 0.12 4.77 3.07 -1.90 -3.22 115.11 118.00 3a7b h GLN 554 Ca 0.02 0.00 -0.36 0.00 0.09 0.00 0.00 58.65 58.40 3a7b h GLN 554 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.56 3a7b h GLN 554 CO -0.00 0.12 -2.00 1.63 0.09 0.00 0.00 178.83 178.66 3a7b n LYS 555 N -3.66 0.75 -2.11 0.06 5.02 -0.06 -4.90 118.16 113.25 3a7b n LYS 555 Ca -0.02 0.27 -0.42 0.00 -2.02 0.00 0.00 58.31 56.11 3a7b n LYS 555 Cb 0.23 -1.70 -0.03 0.00 -0.02 0.00 0.00 35.03 33.52 3a7b n LYS 555 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3a7b s GLU 556 N -2.55 4.23 -0.26 1.97 2.12 -0.98 -2.43 118.70 120.80 3a7b s GLU 556 Ca -0.23 2.09 -0.12 0.00 0.36 0.00 0.00 54.97 57.07 3a7b s GLU 556 Cb 0.07 -3.69 -0.05 0.00 0.26 0.00 0.00 34.13 30.72 3a7b s GLU 556 CO 0.76 -0.69 0.24 -0.65 -0.54 0.00 0.00 175.26 174.38 3a7b s GLN 557 N 2.93 4.01 2.35 4.30 1.11 -0.25 -4.87 119.66 129.24 3a7b s GLN 557 Ca 0.68 -0.18 0.00 0.00 0.01 0.00 0.00 55.36 55.87 3a7b s GLN 557 Cb -0.33 -3.62 0.00 0.00 -1.01 0.00 0.00 33.01 28.05 3a7b s GLN 557 CO 0.28 -0.13 0.00 0.41 0.01 0.00 0.00 175.29 175.86 3a7b n GLY 558 N 4.68 -0.26 3.64 3.09 0.00 -1.26 -4.25 105.19 110.83 3a7b n GLY 558 Ca -0.13 -1.27 -0.05 0.00 0.00 0.00 0.00 46.02 44.58 3a7b n GLY 558 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a7b s SER 559 N -4.00 -1.02 -0.17 1.61 1.04 -1.26 -4.99 113.70 104.91 3a7b s SER 559 Ca 0.00 1.54 -0.28 0.00 0.48 0.00 0.00 55.95 57.69 3a7b s SER 559 Cb 0.00 1.75 -0.00 0.00 0.10 0.00 0.00 66.02 67.86 3a7b s SER 559 CO 0.00 -0.23 0.96 0.00 0.98 0.00 0.00 173.24 174.95 3a7b s ALA 560 N 2.13 3.54 0.09 5.32 0.00 -1.26 -4.46 121.76 127.11 3a7b s ALA 560 Ca -0.08 0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.09 3a7b s ALA 560 Cb -0.08 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 3a7b s ALA 560 CO -0.20 -0.78 0.15 0.15 0.00 0.00 0.00 175.76 175.08 3a7b s LYS 561 N 2.48 3.13 0.99 0.00 3.01 -1.26 -0.13 119.74 127.97 3a7b s LYS 561 Ca 0.44 -0.61 -0.13 0.00 -1.01 0.00 0.00 55.97 54.66 3a7b s LYS 561 Cb -0.17 -2.85 0.18 0.00 -1.01 0.00 0.00 37.83 33.98 3a7b s LYS 561 CO 0.12 0.57 1.11 0.00 0.51 0.00 0.00 175.35 177.66 3a7b s SER 563 N -3.69 6.24 0.00 0.00 0.15 -0.71 -4.23 113.70 111.47 3a7b s SER 563 Ca 0.65 0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.35 3a7b s SER 563 Cb -0.17 -1.82 0.00 0.00 -1.71 0.00 0.00 66.02 62.32 3a7b s SER 563 CO 0.56 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.56 3a7b n GLY 564 N -1.30 0.70 3.38 9.45 0.00 -1.26 -4.76 105.19 111.39 3a7b n GLY 564 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.95 3a7b n GLY 564 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a7b s SER 565 N -2.62 -0.64 0.00 1.61 1.04 -1.26 -5.01 113.70 106.83 3a7b s SER 565 Ca 0.00 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.22 3a7b s SER 565 Cb 0.00 1.69 0.00 0.00 0.10 0.00 0.00 66.02 67.81 3a7b s SER 565 CO 0.00 -0.12 0.56 0.61 0.98 0.00 0.00 173.24 175.27 3a7b n GLY 566 N 5.08 -0.09 3.71 7.32 0.00 -1.26 -3.75 105.19 116.20 3a7b n GLY 566 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3a7b n GLY 566 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a7b s LYS 567 N -2.12 4.16 0.80 1.61 2.20 -1.26 -4.55 119.74 120.59 3a7b s LYS 567 Ca 0.00 2.50 -0.13 0.00 -0.36 0.00 0.00 55.97 57.98 3a7b s LYS 567 Cb 0.00 -3.21 0.08 0.00 -1.51 0.00 0.00 37.83 33.19 3a7b s LYS 567 CO 0.00 -0.71 1.18 -2.30 -0.36 0.00 0.00 175.35 173.16 3a7b n PRO 568 N 4.33 0.20 -1.41 4.03 -0.02 -1.26 0.07 135.00 140.94 3a7b n PRO 568 Ca 0.15 0.14 -0.40 0.00 -2.02 0.00 0.00 63.50 61.38 3a7b n PRO 568 Cb 0.37 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.41 3a7b n PRO 568 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3a7b n VAL 569 N -3.24 3.07 -2.92 -1.45 0.31 0.82 -4.20 118.33 110.70 3a7b n VAL 569 Ca 0.13 -2.41 -0.14 0.00 -0.01 0.00 0.00 64.34 61.91 3a7b n VAL 569 Cb 0.50 -2.49 0.01 0.00 -0.91 0.00 0.00 33.84 30.95 3a7b n VAL 569 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3a7b n ARG 570 N 5.73 0.78 -3.70 5.55 1.74 -1.26 -4.53 116.66 120.97 3a7b n ARG 570 Ca 0.55 -2.34 -0.28 0.00 -0.77 0.00 0.00 57.85 55.01 3a7b n ARG 570 Cb 0.34 -1.36 -0.16 0.00 -1.02 0.00 0.00 32.46 30.26 3a7b n ARG 570 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3a7b s SER 571 N -1.52 3.28 0.51 0.55 1.04 -1.26 -5.09 113.70 111.21 3a7b s SER 571 Ca 0.33 -1.10 -0.21 0.00 0.48 0.00 0.00 55.95 55.45 3a7b s SER 571 Cb 0.22 -0.62 -0.09 0.00 0.10 0.00 0.00 66.02 65.63 3a7b s SER 571 CO -0.18 -0.35 0.82 -0.38 0.98 0.00 0.00 173.24 174.12 3a7b n ILE 572 N 5.03 2.65 -3.77 -1.02 2.08 -1.26 -4.96 119.36 118.11 3a7b n ILE 572 Ca -0.07 -0.50 -0.13 0.00 0.56 0.00 0.00 62.75 62.61 3a7b n ILE 572 Cb 0.45 -0.96 -0.10 0.00 -0.75 0.00 0.00 39.64 38.28 3a7b n ILE 572 CO 0.00 0.00 0.00 -0.51 0.56 0.00 0.00 176.55 176.60 3a7b s ILE 573 N -1.47 0.02 -0.01 1.39 1.10 -1.26 -5.08 121.20 115.89 3a7b s ILE 573 Ca 0.68 -0.16 -0.01 0.00 -0.51 0.00 0.00 60.65 60.66 3a7b s ILE 573 Cb -0.50 -0.49 0.00 0.00 0.15 0.00 0.00 42.46 41.63 3a7b s ILE 573 CO 0.54 -0.09 0.01 0.00 -2.11 0.00 0.00 174.94 173.29