#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g0b s LYS 41 N 0.00 1.95 0.36 5.56 -2.85 -1.26 -4.73 119.74 118.77 3g0b s LYS 41 Ca 0.00 1.49 0.08 0.00 -1.00 0.00 0.00 55.97 56.53 3g0b s LYS 41 Cb 0.00 -1.84 -0.03 0.00 -2.06 0.00 0.00 37.83 33.90 3g0b s LYS 41 CO 0.00 -1.92 0.29 0.95 0.10 0.00 0.00 175.35 174.77 3g0b s THR 42 N -2.47 3.25 -0.56 3.79 -4.23 -1.26 -1.26 115.64 112.89 3g0b s THR 42 Ca 0.67 -1.41 -0.28 0.00 -1.18 0.00 0.00 61.69 59.50 3g0b s THR 42 Cb -0.23 -3.11 0.01 0.00 1.34 0.00 0.00 72.50 70.51 3g0b s THR 42 CO 0.51 -0.13 1.48 -0.47 -0.54 0.00 0.00 174.62 175.47 3g0b s TYR 43 N -2.36 2.18 0.72 3.99 5.04 -1.26 -4.89 117.35 120.76 3g0b s TYR 43 Ca 0.42 0.49 -0.06 0.00 -2.44 0.00 0.00 57.07 55.48 3g0b s TYR 43 Cb -0.05 -4.35 0.08 0.00 0.35 0.00 0.00 41.96 38.00 3g0b s TYR 43 CO 0.26 -2.08 1.02 0.95 -1.34 0.00 0.00 175.55 174.36 3g0b s THR 44 N 6.45 2.26 0.16 4.34 -4.23 -1.26 -4.03 115.64 119.33 3g0b s THR 44 Ca 0.55 -0.34 -0.12 0.00 -1.18 0.00 0.00 61.69 60.60 3g0b s THR 44 Cb -0.12 -2.93 0.05 0.00 1.34 0.00 0.00 72.50 70.85 3g0b s THR 44 CO 0.24 0.00 1.68 0.25 -0.54 0.00 0.00 174.62 176.25 3g0b h LEU 45 N -0.63 0.82 -1.36 4.79 5.85 -1.95 -2.28 115.31 120.55 3g0b h LEU 45 Ca -0.43 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.05 3g0b h LEU 45 Cb 1.30 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 3g0b h LEU 45 CO 0.54 0.83 0.23 0.74 -0.34 0.00 0.00 178.44 180.43 3g0b h THR 46 N 0.77 1.16 -0.26 1.05 2.02 -1.97 0.22 112.91 115.89 3g0b h THR 46 Ca 0.17 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 3g0b h THR 46 Cb 0.32 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3g0b h THR 46 CO -0.00 0.19 0.12 0.44 0.37 0.00 0.00 175.52 176.64 3g0b h ASP 47 N 0.67 0.34 -0.17 4.18 3.32 -1.87 0.20 116.42 123.09 3g0b h ASP 47 Ca 0.17 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3g0b h ASP 47 Cb 0.07 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3g0b h ASP 47 CO -0.02 0.38 0.06 0.22 -1.72 0.00 0.00 179.24 178.15 3g0b h TYR 48 N 0.29 0.27 0.00 4.55 3.20 -0.80 -0.19 116.97 124.29 3g0b h TYR 48 Ca 0.09 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.83 3g0b h TYR 48 Cb 0.12 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 3g0b h TYR 48 CO -0.02 0.36 -0.48 -0.07 -1.64 0.00 0.00 178.16 176.31 3g0b h LEU 49 N 0.10 0.00 -0.32 2.82 3.38 -0.53 -3.18 115.31 117.59 3g0b h LEU 49 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3g0b h LEU 49 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3g0b h LEU 49 CO -0.00 0.48 -0.74 0.29 0.09 0.00 0.00 178.44 178.56 3g0b n LYS 50 N -3.66 0.95 -3.01 1.13 4.76 0.05 -4.96 118.16 113.42 3g0b n LYS 50 Ca -0.01 -0.31 -0.12 0.00 -2.87 0.00 0.00 58.31 55.00 3g0b n LYS 50 Cb 0.56 -1.40 0.06 0.00 -1.84 0.00 0.00 35.03 32.41 3g0b n LYS 50 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3g0b n ASN 51 N -0.99 -2.53 -0.11 4.39 2.85 -0.16 -4.95 115.26 113.77 3g0b n ASN 51 Ca 0.05 -0.46 -0.11 0.00 -0.11 0.00 0.00 54.58 53.94 3g0b n ASN 51 Cb 0.34 -3.89 -0.03 0.00 1.24 0.00 0.00 39.78 37.43 3g0b n ASN 51 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 3g0b h THR 52 N -1.30 1.28 -3.69 -0.44 2.02 -1.63 -3.36 112.91 105.79 3g0b h THR 52 Ca -0.43 -1.13 -0.75 0.00 0.77 0.00 0.00 66.41 64.87 3g0b h THR 52 Cb 1.25 1.35 -0.30 0.00 -1.74 0.00 0.00 68.15 68.70 3g0b h THR 52 CO 0.36 0.37 -0.10 -0.31 0.37 0.00 0.00 175.52 176.20 3g0b s TYR 53 N -4.77 3.62 0.27 3.16 2.02 -1.26 -5.06 117.35 115.33 3g0b s TYR 53 Ca -0.13 -2.36 -0.29 0.00 -0.37 0.00 0.00 57.07 53.92 3g0b s TYR 53 Cb 0.09 -3.53 -0.09 0.00 -0.40 0.00 0.00 41.96 38.02 3g0b s TYR 53 CO 0.79 -0.91 0.95 0.50 -1.57 0.00 0.00 175.55 175.30 3g0b s ARG 54 N -0.03 4.75 -0.07 -0.62 3.52 -1.26 -5.04 118.95 120.20 3g0b s ARG 54 Ca 0.18 1.44 -0.23 0.00 -0.13 0.00 0.00 55.73 56.99 3g0b s ARG 54 Cb -0.14 -3.10 -0.04 0.00 -1.56 0.00 0.00 34.95 30.11 3g0b s ARG 54 CO -0.07 0.42 0.69 -1.17 -0.81 0.00 0.00 175.30 174.37 3g0b s LEU 55 N -1.51 4.31 0.00 -0.88 2.96 -1.26 -4.73 118.68 117.57 3g0b s LEU 55 Ca 0.45 1.17 -0.21 0.00 -0.22 0.00 0.00 54.13 55.32 3g0b s LEU 55 Cb -0.24 -3.07 -0.05 0.00 0.50 0.00 0.00 46.19 43.33 3g0b s LEU 55 CO 0.29 -0.12 0.60 -0.54 -1.32 0.00 0.00 176.35 175.26 3g0b s LYS 56 N 0.84 4.32 0.55 1.98 1.02 -1.26 -5.09 119.74 122.10 3g0b s LYS 56 Ca 0.37 0.75 0.07 0.00 0.02 0.00 0.00 55.97 57.18 3g0b s LYS 56 Cb -0.18 -3.34 0.05 0.00 -0.52 0.00 0.00 37.83 33.85 3g0b s LYS 56 CO 0.18 0.38 0.55 -0.51 -0.92 0.00 0.00 175.35 175.02 3g0b s LEU 57 N -0.24 2.87 -0.41 3.17 1.02 -1.26 -4.91 118.68 118.92 3g0b s LEU 57 Ca 0.31 -1.08 0.04 0.00 0.02 0.00 0.00 54.13 53.42 3g0b s LEU 57 Cb -0.18 -1.38 0.17 0.00 0.02 0.00 0.00 46.19 44.81 3g0b s LEU 57 CO 0.18 -1.18 0.41 -0.47 0.02 0.00 0.00 176.35 175.30 3g0b s TYR 58 N -2.72 0.12 -0.14 0.29 6.14 -1.26 -4.95 117.35 114.83 3g0b s TYR 58 Ca 0.45 -1.46 -0.20 0.00 0.64 0.00 0.00 57.07 56.49 3g0b s TYR 58 Cb -0.04 -0.53 -0.03 0.00 0.42 0.00 0.00 41.96 41.78 3g0b s TYR 58 CO 0.28 -0.96 0.59 0.45 0.64 0.00 0.00 175.55 176.55 3g0b s SER 59 N 0.75 6.76 0.07 4.32 0.15 -1.26 -5.06 113.70 119.43 3g0b s SER 59 Ca 0.26 0.91 0.01 0.00 0.70 0.00 0.00 55.95 57.83 3g0b s SER 59 Cb -0.06 -2.34 -0.03 0.00 -1.71 0.00 0.00 66.02 61.87 3g0b s SER 59 CO -0.09 -0.14 -0.06 -1.48 1.20 0.00 0.00 173.24 172.67 3g0b s LEU 60 N 1.18 2.41 -0.21 3.45 0.05 -1.26 -4.50 118.68 119.80 3g0b s LEU 60 Ca 0.30 -0.82 0.01 0.00 0.05 0.00 0.00 54.13 53.66 3g0b s LEU 60 Cb -0.16 -0.05 0.05 0.00 -2.05 0.00 0.00 46.19 43.98 3g0b s LEU 60 CO 0.12 -0.39 -0.07 -0.13 -0.55 0.00 0.00 176.35 175.33 3g0b s ARG 61 N -2.96 1.76 0.30 1.48 0.52 -0.75 -4.93 118.95 114.37 3g0b s ARG 61 Ca 0.02 -0.84 -0.29 0.00 -0.52 0.00 0.00 55.73 54.10 3g0b s ARG 61 Cb -0.00 -2.41 -0.11 0.00 0.52 0.00 0.00 34.95 32.95 3g0b s ARG 61 CO -0.04 -0.49 1.47 -1.58 0.02 0.00 0.00 175.30 174.68 3g0b s TRP 62 N 1.44 2.87 0.00 -0.53 0.52 -1.26 -0.51 118.94 121.47 3g0b s TRP 62 Ca -0.03 1.04 0.00 0.00 0.02 0.00 0.00 56.10 57.14 3g0b s TRP 62 Cb -0.17 -3.90 0.00 0.00 -1.15 0.00 0.00 33.47 28.25 3g0b s TRP 62 CO -0.07 -2.86 0.00 0.44 0.02 0.00 0.00 176.95 174.48 3g0b n ILE 63 N 1.72 0.00 -3.12 2.03 -5.35 -0.17 -4.92 119.36 109.55 3g0b n ILE 63 Ca 0.05 -0.32 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 3g0b n ILE 63 Cb 0.39 0.87 0.00 0.00 -1.74 0.00 0.00 39.64 39.16 3g0b n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3g0b n SER 64 N -0.90 0.00 0.00 7.28 3.41 -1.20 -5.00 113.62 117.22 3g0b n SER 64 Ca 0.00 -0.67 0.14 0.00 -0.26 0.00 0.00 58.87 58.07 3g0b n SER 64 Cb 0.00 0.00 0.63 0.00 -0.26 0.00 0.00 64.21 64.58 3g0b n SER 64 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3g0b n ASP 65 N -1.28 0.00 -0.18 4.04 4.64 -1.26 -2.47 116.55 120.05 3g0b n ASP 65 Ca 0.00 0.37 0.00 0.00 -1.38 0.00 0.00 54.79 53.78 3g0b n ASP 65 Cb 0.00 -0.46 0.00 0.00 -1.04 0.00 0.00 41.12 39.62 3g0b n ASP 65 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3g0b n HIS 66 N -1.46 0.00 -4.14 -0.67 1.44 -1.26 -4.14 115.22 104.99 3g0b n HIS 66 Ca 0.08 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.64 3g0b n HIS 66 Cb 0.31 0.06 -0.13 0.00 0.12 0.00 0.00 29.99 30.35 3g0b n HIS 66 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3g0b s GLU 67 N 0.00 0.52 0.04 -1.40 2.02 -1.26 -1.83 118.70 116.79 3g0b s GLU 67 Ca 0.00 -0.49 -0.02 0.00 0.02 0.00 0.00 54.97 54.48 3g0b s GLU 67 Cb 0.00 -0.41 -0.02 0.00 0.10 0.00 0.00 34.13 33.79 3g0b s GLU 67 CO 0.00 0.10 0.01 1.52 0.02 0.00 0.00 175.26 176.91 3g0b s TYR 68 N -0.74 0.33 -0.03 1.61 1.13 -1.09 -1.00 117.35 117.56 3g0b s TYR 68 Ca -0.03 -0.70 -0.09 0.00 -1.41 0.00 0.00 57.07 54.84 3g0b s TYR 68 Cb -0.06 -0.24 -0.05 0.00 -1.10 0.00 0.00 41.96 40.51 3g0b s TYR 68 CO 0.00 -0.31 0.27 -0.51 -2.51 0.00 0.00 175.55 172.49 3g0b s LEU 69 N -2.17 4.40 0.03 -3.49 1.43 0.34 -0.52 118.68 118.70 3g0b s LEU 69 Ca -0.05 0.64 -0.06 0.00 -1.03 0.00 0.00 54.13 53.64 3g0b s LEU 69 Cb -0.01 -2.49 -0.01 0.00 0.03 0.00 0.00 46.19 43.71 3g0b s LEU 69 CO -0.05 0.31 0.10 -0.47 0.23 0.00 0.00 176.35 176.47 3g0b s TYR 70 N -1.17 0.18 -0.33 0.29 6.14 -0.08 -1.81 117.35 120.56 3g0b s TYR 70 Ca 0.23 -0.44 -0.07 0.00 0.64 0.00 0.00 57.07 57.43 3g0b s TYR 70 Cb -0.14 -0.13 0.03 0.00 0.42 0.00 0.00 41.96 42.14 3g0b s TYR 70 CO 0.12 -0.34 0.11 0.15 0.64 0.00 0.00 175.55 176.23 3g0b s LYS 71 N -2.35 2.75 0.00 4.97 3.01 -1.26 -1.21 119.74 125.64 3g0b s LYS 71 Ca -0.07 -1.09 0.00 0.00 -1.01 0.00 0.00 55.97 53.79 3g0b s LYS 71 Cb -0.03 -3.47 0.00 0.00 -1.01 0.00 0.00 37.83 33.32 3g0b s LYS 71 CO -0.03 -0.62 0.00 1.04 0.51 0.00 0.00 175.35 176.25 3g0b n GLN 72 N 4.85 0.00 -2.41 1.68 6.02 -0.96 -4.82 117.38 121.74 3g0b n GLN 72 Ca -0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.43 3g0b n GLN 72 Cb 0.46 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.72 3g0b n GLN 72 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3g0b n GLU 73 N 0.00 3.36 -0.26 -1.09 4.71 -1.26 -4.55 120.64 121.56 3g0b n GLU 73 Ca 0.00 -3.41 0.00 0.00 -0.01 0.00 0.00 57.16 53.74 3g0b n GLU 73 Cb 0.00 -3.09 0.00 0.00 -1.01 0.00 0.00 31.44 27.34 3g0b n GLU 73 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3g0b n ASN 74 N 5.29 0.00 -4.72 1.62 3.02 -1.26 -4.82 115.26 114.39 3g0b n ASN 74 Ca 0.42 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.61 3g0b n ASN 74 Cb 0.40 -1.83 -0.07 0.00 -0.61 0.00 0.00 39.78 37.66 3g0b n ASN 74 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3g0b s ASN 75 N -2.11 6.46 -0.32 6.41 0.02 -1.26 -4.13 114.94 120.00 3g0b s ASN 75 Ca 0.00 0.53 -0.22 0.00 -1.02 0.00 0.00 52.86 52.16 3g0b s ASN 75 Cb 0.00 -2.20 -0.00 0.00 0.02 0.00 0.00 41.25 39.07 3g0b s ASN 75 CO 0.00 0.06 0.71 -0.63 0.02 0.00 0.00 177.10 177.26 3g0b s ILE 76 N 0.61 4.85 0.05 0.60 1.01 -0.57 -2.26 121.20 125.50 3g0b s ILE 76 Ca 0.18 0.94 0.03 0.00 0.00 0.00 0.00 60.65 61.80 3g0b s ILE 76 Cb -0.13 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 3g0b s ILE 76 CO 0.05 -0.24 0.01 -0.76 0.00 0.00 0.00 174.94 174.00 3g0b s LEU 77 N 2.81 3.52 -0.31 2.97 1.02 -0.35 -0.75 118.68 127.58 3g0b s LEU 77 Ca 0.28 -0.09 -0.09 0.00 0.02 0.00 0.00 54.13 54.26 3g0b s LEU 77 Cb -0.14 -2.15 -0.00 0.00 0.02 0.00 0.00 46.19 43.91 3g0b s LEU 77 CO 0.13 0.22 0.14 0.54 0.02 0.00 0.00 176.35 177.40 3g0b s VAL 78 N -1.22 4.50 0.05 -1.59 0.11 -0.81 -0.91 120.40 120.54 3g0b s VAL 78 Ca 0.23 -0.46 -0.15 0.00 -2.93 0.00 0.00 61.98 58.67 3g0b s VAL 78 Cb -0.12 -3.29 -0.06 0.00 -1.53 0.00 0.00 36.38 31.38 3g0b s VAL 78 CO 0.15 0.07 0.46 -0.36 -3.33 0.00 0.00 175.10 172.10 3g0b s PHE 79 N 1.60 3.70 -0.57 1.54 0.40 0.32 -2.81 117.98 122.16 3g0b s PHE 79 Ca 0.04 1.03 -0.20 0.00 -0.60 0.00 0.00 56.93 57.20 3g0b s PHE 79 Cb -0.17 -2.33 0.07 0.00 0.51 0.00 0.00 43.02 41.10 3g0b s PHE 79 CO 0.06 0.58 0.76 1.21 0.70 0.00 0.00 175.22 178.53 3g0b s ASN 80 N -1.30 6.22 0.56 1.36 3.84 -0.87 -2.66 114.94 122.09 3g0b s ASN 80 Ca 0.29 -1.00 0.26 0.00 0.21 0.00 0.00 52.86 52.62 3g0b s ASN 80 Cb -0.17 -2.34 1.53 0.00 -0.55 0.00 0.00 41.25 39.73 3g0b s ASN 80 CO 0.16 -1.12 2.07 0.00 -2.79 0.00 0.00 177.10 175.43 3g0b h ALA 81 N 9.21 2.03 -0.29 1.71 0.00 -1.70 -0.28 119.26 129.93 3g0b h ALA 81 Ca -0.28 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 3g0b h ALA 81 Cb 1.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3g0b h ALA 81 CO 1.07 -0.37 -0.55 0.93 0.00 0.00 0.00 179.25 180.33 3g0b h GLU 82 N 0.00 0.88 0.00 0.00 5.08 -1.92 -3.43 114.58 115.19 3g0b h GLU 82 Ca 0.12 -0.56 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 3g0b h GLU 82 Cb 0.59 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 3g0b h GLU 82 CO -0.00 1.20 -0.37 0.66 -1.00 0.00 0.00 179.01 179.50 3g0b n TYR 83 N -4.01 0.00 0.00 4.33 4.01 -0.75 -5.07 117.16 115.66 3g0b n TYR 83 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 3g0b n TYR 83 Cb 0.63 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 3g0b n TYR 83 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g0b n GLY 84 N 3.07 1.06 3.71 2.72 0.00 -0.19 -5.06 105.19 110.50 3g0b n GLY 84 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3g0b n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g0b s ASN 85 N -0.66 6.84 -0.01 1.61 2.20 -1.26 -4.69 114.94 118.97 3g0b s ASN 85 Ca 0.00 2.28 0.06 0.00 -0.94 0.00 0.00 52.86 54.26 3g0b s ASN 85 Cb 0.00 -2.58 -0.02 0.00 -2.00 0.00 0.00 41.25 36.65 3g0b s ASN 85 CO 0.00 -0.65 -0.19 -0.94 -2.94 0.00 0.00 177.10 172.38 3g0b s SER 86 N 1.23 2.22 0.13 3.54 1.04 -1.26 -2.04 113.70 118.55 3g0b s SER 86 Ca 0.64 -0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.75 3g0b s SER 86 Cb -0.36 -0.24 -0.04 0.00 0.10 0.00 0.00 66.02 65.49 3g0b s SER 86 CO 0.30 0.22 0.13 -0.94 0.98 0.00 0.00 173.24 173.92 3g0b s SER 87 N -0.55 5.62 -0.49 7.02 1.04 -1.12 -4.95 113.70 120.27 3g0b s SER 87 Ca 0.07 -0.04 -0.28 0.00 0.48 0.00 0.00 55.95 56.17 3g0b s SER 87 Cb -0.07 -1.51 0.02 0.00 0.10 0.00 0.00 66.02 64.55 3g0b s SER 87 CO -0.00 0.11 1.34 -0.69 0.98 0.00 0.00 173.24 174.98 3g0b s VAL 88 N -1.60 3.94 0.03 5.02 1.01 -1.26 -1.92 120.40 125.62 3g0b s VAL 88 Ca 0.31 0.90 -0.07 0.00 0.00 0.00 0.00 61.98 63.12 3g0b s VAL 88 Cb -0.11 -4.41 -0.30 0.00 0.00 0.00 0.00 36.38 31.56 3g0b s VAL 88 CO 0.23 -0.99 0.98 0.15 0.00 0.00 0.00 175.10 175.47 3g0b h PHE 89 N 10.43 0.61 -1.18 5.22 3.04 -1.27 -3.44 116.94 130.35 3g0b h PHE 89 Ca -0.26 -0.44 -0.11 0.00 3.98 0.00 0.00 57.97 61.14 3g0b h PHE 89 Cb 1.09 -0.02 -0.21 0.00 2.56 0.00 0.00 35.95 39.36 3g0b h PHE 89 CO 1.00 1.41 -0.49 -1.17 -2.02 0.00 0.00 178.31 177.04 3g0b s LEU 90 N -7.20 -1.28 0.38 0.59 2.96 -0.55 -5.02 118.68 108.56 3g0b s LEU 90 Ca -0.08 -0.82 -0.25 0.00 -0.22 0.00 0.00 54.13 52.77 3g0b s LEU 90 Cb 0.06 1.71 -0.09 0.00 0.50 0.00 0.00 46.19 48.38 3g0b s LEU 90 CO 0.89 -0.20 1.09 -1.83 -1.32 0.00 0.00 176.35 174.97 3g0b s GLU 91 N 1.89 4.21 0.00 1.98 -1.05 -1.26 -1.51 118.70 122.96 3g0b s GLU 91 Ca 0.15 1.64 0.00 0.00 -0.15 0.00 0.00 54.97 56.62 3g0b s GLU 91 Cb -0.07 -2.68 0.00 0.00 -0.44 0.00 0.00 34.13 30.94 3g0b s GLU 91 CO -0.09 -0.13 0.94 -1.71 0.95 0.00 0.00 175.26 175.22 3g0b n ASN 92 N 0.17 2.82 -1.92 0.83 2.85 -1.26 -2.35 115.26 116.39 3g0b n ASN 92 Ca 0.04 -1.87 0.02 0.00 -0.11 0.00 0.00 54.58 52.66 3g0b n ASN 92 Cb 0.48 -0.47 0.37 0.00 1.24 0.00 0.00 39.78 41.39 3g0b n ASN 92 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3g0b n SER 93 N 0.55 5.38 -0.10 1.20 3.41 -1.26 -4.46 113.62 118.34 3g0b n SER 93 Ca 0.00 -3.01 -0.15 0.00 -0.26 0.00 0.00 58.87 55.45 3g0b n SER 93 Cb 0.47 -0.71 -0.05 0.00 -0.26 0.00 0.00 64.21 63.66 3g0b n SER 93 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3g0b n THR 94 N 0.36 1.47 -0.81 6.66 -1.04 -0.99 -4.71 114.28 115.21 3g0b n THR 94 Ca 0.32 -0.01 0.08 0.00 -2.04 0.00 0.00 64.05 62.40 3g0b n THR 94 Cb 1.26 -2.16 0.38 0.00 -1.82 0.00 0.00 70.33 67.98 3g0b n THR 94 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3g0b n PHE 95 N -4.33 1.78 -0.33 -1.42 3.72 -1.26 -4.52 117.46 111.11 3g0b n PHE 95 Ca -0.25 -0.70 0.12 0.00 -0.05 0.00 0.00 57.45 56.57 3g0b n PHE 95 Cb 0.61 -0.40 0.30 0.00 -0.94 0.00 0.00 39.48 39.05 3g0b n PHE 95 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 3g0b h ASP 96 N 3.87 0.59 -1.90 4.37 2.03 -1.84 -0.69 116.42 122.84 3g0b h ASP 96 Ca 0.00 0.12 -0.67 0.00 -0.73 0.00 0.00 57.03 55.74 3g0b h ASP 96 Cb 1.75 0.03 -0.36 0.00 -0.83 0.00 0.00 39.33 39.92 3g0b h ASP 96 CO 0.38 0.16 0.05 -0.62 -1.03 0.00 0.00 179.24 178.18 3g0b n GLU 97 N -4.88 3.48 0.12 4.15 1.02 -1.26 -4.62 120.64 118.64 3g0b n GLU 97 Ca 0.22 -4.32 -0.19 0.00 -0.02 0.00 0.00 57.16 52.85 3g0b n GLU 97 Cb 0.59 -2.28 -0.14 0.00 -0.02 0.00 0.00 31.44 29.58 3g0b n GLU 97 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3g0b h PHE 98 N 3.00 0.70 0.00 -0.32 3.57 -1.43 -3.48 116.94 118.98 3g0b h PHE 98 Ca 0.38 -0.50 0.00 0.00 3.53 0.00 0.00 57.97 61.38 3g0b h PHE 98 Cb 0.50 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.21 3g0b h PHE 98 CO 1.00 1.38 0.00 0.41 -2.23 0.00 0.00 178.31 178.87 3g0b n GLY 99 N 1.55 0.06 3.09 2.40 0.00 -1.26 -5.05 105.19 105.98 3g0b n GLY 99 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 3g0b n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3g0b s HIS 100 N -2.02 0.76 -0.36 1.61 3.76 -1.26 -5.12 115.29 112.66 3g0b s HIS 100 Ca 0.00 -0.55 -0.29 0.00 -0.15 0.00 0.00 55.06 54.07 3g0b s HIS 100 Cb 0.00 -0.45 0.01 0.00 1.11 0.00 0.00 32.58 33.26 3g0b s HIS 100 CO 0.00 -0.08 1.21 -1.12 -0.85 0.00 0.00 174.74 173.91 3g0b s SER 101 N -1.81 6.69 -0.32 1.40 0.01 -1.26 -4.99 113.70 113.43 3g0b s SER 101 Ca -0.06 0.94 -0.29 0.00 1.31 0.00 0.00 55.95 57.85 3g0b s SER 101 Cb -0.08 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.61 3g0b s SER 101 CO -0.00 -1.11 1.32 -0.63 0.41 0.00 0.00 173.24 173.23 3g0b s ILE 102 N 4.32 4.10 0.06 1.44 1.01 -1.26 -4.46 121.20 126.40 3g0b s ILE 102 Ca 0.52 1.22 -0.15 0.00 0.00 0.00 0.00 60.65 62.24 3g0b s ILE 102 Cb -0.13 -4.16 -0.24 0.00 0.01 0.00 0.00 42.46 37.94 3g0b s ILE 102 CO 0.24 -0.52 1.15 -1.13 0.00 0.00 0.00 174.94 174.68 3g0b h ASN 103 N 9.51 0.83 -5.07 3.58 -1.24 -0.42 -3.49 115.58 119.29 3g0b h ASN 103 Ca -0.26 -0.76 -0.02 0.00 0.71 0.00 0.00 56.30 55.97 3g0b h ASN 103 Cb 1.10 -0.26 -0.10 0.00 0.73 0.00 0.00 38.32 39.79 3g0b h ASN 103 CO 1.04 1.49 0.06 -0.62 -1.29 0.00 0.00 177.43 178.11 3g0b s ASP 104 N -7.21 -0.30 0.13 1.15 2.15 -1.09 -5.02 116.67 106.48 3g0b s ASP 104 Ca -0.10 -0.40 0.03 0.00 0.43 0.00 0.00 52.55 52.50 3g0b s ASP 104 Cb 0.06 0.58 -0.04 0.00 -0.30 0.00 0.00 42.92 43.21 3g0b s ASP 104 CO 0.90 -1.04 -0.07 -0.72 -0.17 0.00 0.00 175.17 174.08 3g0b s TYR 105 N -3.85 1.08 -0.26 -5.34 1.13 -1.26 -0.44 117.35 108.41 3g0b s TYR 105 Ca 0.08 -0.87 -0.02 0.00 -1.41 0.00 0.00 57.07 54.84 3g0b s TYR 105 Cb -0.01 -0.59 0.14 0.00 -1.10 0.00 0.00 41.96 40.40 3g0b s TYR 105 CO -0.05 -0.07 0.37 0.45 -2.51 0.00 0.00 175.55 173.74 3g0b s SER 106 N -3.11 0.43 0.11 -0.18 0.15 0.08 -4.97 113.70 106.22 3g0b s SER 106 Ca 0.15 0.00 -0.27 0.00 0.70 0.00 0.00 55.95 56.54 3g0b s SER 106 Cb 0.04 1.03 -0.07 0.00 -1.71 0.00 0.00 66.02 65.32 3g0b s SER 106 CO -0.01 -0.32 0.83 -0.63 1.20 0.00 0.00 173.24 174.31 3g0b s ILE 107 N 2.52 4.52 0.60 6.45 1.01 -1.26 0.07 121.20 135.10 3g0b s ILE 107 Ca 0.12 1.80 -0.20 0.00 0.00 0.00 0.00 60.65 62.37 3g0b s ILE 107 Cb -0.15 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.10 3g0b s ILE 107 CO -0.20 0.41 1.29 -0.94 0.00 0.00 0.00 174.94 175.49 3g0b s SER 108 N -0.44 5.01 0.52 3.58 1.04 0.59 -4.90 113.70 119.11 3g0b s SER 108 Ca 0.40 2.60 0.22 0.00 0.48 0.00 0.00 55.95 59.64 3g0b s SER 108 Cb -0.22 -2.62 1.33 0.00 0.10 0.00 0.00 66.02 64.61 3g0b s SER 108 CO 0.26 -1.73 2.04 -0.65 0.98 0.00 0.00 173.24 174.15 3g0b h PRO 109 N 0.97 0.03 -0.01 4.02 0.11 -1.81 0.70 132.00 136.01 3g0b h PRO 109 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3g0b h PRO 109 Cb 1.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3g0b h PRO 109 CO 0.55 0.02 -0.02 -0.40 -0.21 0.00 0.00 178.00 177.94 3g0b n ASP 110 N -4.44 1.10 -0.58 -2.05 5.75 -1.12 -4.82 116.55 110.40 3g0b n ASP 110 Ca 0.06 -1.31 -0.06 0.00 -0.01 0.00 0.00 54.79 53.46 3g0b n ASP 110 Cb 0.43 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.50 3g0b n ASP 110 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3g0b n GLY 111 N 1.15 0.62 0.08 6.12 0.00 0.24 -4.92 105.19 108.48 3g0b n GLY 111 Ca 0.19 -0.71 -0.05 0.00 0.00 0.00 0.00 46.02 45.45 3g0b n GLY 111 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3g0b n GLN 112 N -2.42 0.67 -4.45 1.61 6.02 -1.26 -4.86 117.38 112.68 3g0b n GLN 112 Ca -0.07 0.02 -0.20 0.00 -0.01 0.00 0.00 57.00 56.73 3g0b n GLN 112 Cb 0.33 -1.58 -0.15 0.00 1.02 0.00 0.00 30.24 29.85 3g0b n GLN 112 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3g0b s PHE 113 N -2.74 0.99 -0.25 1.08 0.08 -1.26 0.21 117.98 116.08 3g0b s PHE 113 Ca -0.08 -0.21 -0.04 0.00 0.12 0.00 0.00 56.93 56.71 3g0b s PHE 113 Cb 0.08 -0.66 0.00 0.00 -0.57 0.00 0.00 43.02 41.87 3g0b s PHE 113 CO 0.84 -0.05 -0.01 -1.50 -0.10 0.00 0.00 175.22 174.40 3g0b s ILE 114 N -0.08 3.48 -0.02 0.64 2.07 0.37 -0.30 121.20 127.36 3g0b s ILE 114 Ca 0.01 -0.64 -0.30 0.00 -1.41 0.00 0.00 60.65 58.31 3g0b s ILE 114 Cb -0.06 -2.68 -0.03 0.00 0.13 0.00 0.00 42.46 39.82 3g0b s ILE 114 CO -0.00 0.28 1.04 -0.22 -1.91 0.00 0.00 174.94 174.13 3g0b s LEU 115 N 1.46 4.34 -0.15 8.50 2.96 0.11 -1.01 118.68 134.89 3g0b s LEU 115 Ca 0.04 1.71 -0.01 0.00 -0.22 0.00 0.00 54.13 55.64 3g0b s LEU 115 Cb -0.16 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 3g0b s LEU 115 CO -0.02 -0.36 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.78 3g0b s LEU 116 N 1.32 2.72 -0.26 -0.68 1.43 0.90 -0.74 118.68 123.37 3g0b s LEU 116 Ca 0.53 -0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 53.19 3g0b s LEU 116 Cb -0.22 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 3g0b s LEU 116 CO 0.26 0.11 0.08 -0.70 0.23 0.00 0.00 176.35 176.33 3g0b s GLU 117 N 0.67 3.54 0.30 1.70 2.12 0.42 -1.97 118.70 125.47 3g0b s GLU 117 Ca -0.06 -0.56 0.05 0.00 0.36 0.00 0.00 54.97 54.76 3g0b s GLU 117 Cb -0.15 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 3g0b s GLU 117 CO 0.02 -0.25 0.23 1.52 -0.54 0.00 0.00 175.26 176.25 3g0b s TYR 118 N 1.60 1.62 -1.53 5.30 1.13 -0.51 0.41 117.35 125.37 3g0b s TYR 118 Ca 0.06 -1.57 -0.13 0.00 -1.41 0.00 0.00 57.07 54.02 3g0b s TYR 118 Cb -0.16 -0.71 0.08 0.00 -1.10 0.00 0.00 41.96 40.08 3g0b s TYR 118 CO 0.04 -0.78 0.95 0.09 -2.51 0.00 0.00 175.55 173.34 3g0b n ASN 119 N -1.21 -4.40 -4.71 -0.18 3.02 -1.26 0.57 115.26 107.09 3g0b n ASN 119 Ca 0.05 -0.80 -0.42 0.00 -0.03 0.00 0.00 54.58 53.39 3g0b n ASN 119 Cb 0.63 -3.83 -0.03 0.00 -0.61 0.00 0.00 39.78 35.95 3g0b n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3g0b s TYR 120 N -3.34 2.70 -0.20 3.10 5.04 -1.26 -4.01 117.35 119.38 3g0b s TYR 120 Ca 0.61 0.32 -0.03 0.00 -2.44 0.00 0.00 57.07 55.53 3g0b s TYR 120 Cb -0.31 -4.08 0.06 0.00 0.35 0.00 0.00 41.96 37.99 3g0b s TYR 120 CO 0.84 -4.18 0.05 0.08 -1.34 0.00 0.00 175.55 170.99 3g0b s VAL 121 N 1.71 0.49 0.32 3.14 1.01 0.17 -5.00 120.40 122.24 3g0b s VAL 121 Ca 0.75 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.84 3g0b s VAL 121 Cb -0.46 -1.04 -0.12 0.00 0.00 0.00 0.00 36.38 34.76 3g0b s VAL 121 CO 0.33 -0.26 1.53 1.17 0.00 0.00 0.00 175.10 177.87 3g0b n LYS 122 N 5.06 2.62 0.00 2.72 4.81 -1.26 -1.08 118.16 131.02 3g0b n LYS 122 Ca -0.08 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.28 3g0b n LYS 122 Cb 0.47 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 32.85 3g0b n LYS 122 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 3g0b n GLN 123 N 1.44 0.00 0.00 1.64 7.27 -0.31 -4.87 117.38 122.56 3g0b n GLN 123 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.13 3g0b n GLN 123 Cb 0.37 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.02 3g0b n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 3g0b n TRP 124 N 0.00 0.00 0.02 3.69 5.03 -1.18 -4.94 117.44 120.06 3g0b n TRP 124 Ca 0.00 0.00 -0.09 0.00 3.03 0.00 0.00 57.50 60.44 3g0b n TRP 124 Cb 0.00 0.00 0.06 0.00 -1.03 0.00 0.00 31.31 30.34 3g0b n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 3g0b h ARG 125 N 0.00 0.49 0.00 -0.99 2.43 -1.98 -3.37 114.38 110.96 3g0b h ARG 125 Ca 0.00 -0.32 -0.05 0.00 -0.81 0.00 0.00 59.98 58.80 3g0b h ARG 125 Cb 0.00 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3g0b h ARG 125 CO 0.00 0.93 -1.18 0.72 -1.51 0.00 0.00 179.97 178.93 3g0b n HIS 126 N -3.94 0.00 -2.08 2.20 8.25 -1.26 -5.06 115.22 113.34 3g0b n HIS 126 Ca -0.03 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.07 3g0b n HIS 126 Cb 0.61 -0.13 0.03 0.00 1.12 0.00 0.00 29.99 31.62 3g0b n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3g0b s SER 127 N -3.84 5.33 0.02 0.41 1.04 -1.26 -4.69 113.70 110.71 3g0b s SER 127 Ca -0.03 2.32 -0.29 0.00 0.48 0.00 0.00 55.95 58.43 3g0b s SER 127 Cb 0.01 -2.59 0.10 0.00 0.10 0.00 0.00 66.02 63.64 3g0b s SER 127 CO 0.09 -1.49 1.15 -0.72 0.98 0.00 0.00 173.24 173.25 3g0b s TYR 128 N -1.66 -0.10 0.08 5.02 -0.85 -1.26 -1.16 117.35 117.42 3g0b s TYR 128 Ca 0.76 -0.06 0.08 0.00 -0.52 0.00 0.00 57.07 57.33 3g0b s TYR 128 Cb -0.28 0.57 -0.04 0.00 0.38 0.00 0.00 41.96 42.59 3g0b s TYR 128 CO 0.31 -0.46 -0.17 0.99 -1.52 0.00 0.00 175.55 174.71 3g0b s THR 129 N -2.74 2.90 0.15 -3.49 2.01 -0.24 -4.59 115.64 109.64 3g0b s THR 129 Ca 0.12 -1.33 -0.15 0.00 0.31 0.00 0.00 61.69 60.65 3g0b s THR 129 Cb 0.02 -2.28 0.02 0.00 0.01 0.00 0.00 72.50 70.26 3g0b s THR 129 CO -0.02 0.21 0.40 0.00 -0.69 0.00 0.00 174.62 174.52 3g0b s ALA 130 N -1.05 -0.70 0.26 7.40 0.00 -0.69 -0.66 121.76 126.30 3g0b s ALA 130 Ca 0.17 -0.31 -0.03 0.00 0.00 0.00 0.00 51.96 51.79 3g0b s ALA 130 Cb -0.11 0.76 -0.05 0.00 0.00 0.00 0.00 23.12 23.73 3g0b s ALA 130 CO 0.08 -0.69 0.49 -1.12 0.00 0.00 0.00 175.76 174.53 3g0b s SER 131 N -2.86 6.42 -0.04 0.00 0.01 0.19 -1.79 113.70 115.63 3g0b s SER 131 Ca 0.08 0.58 -0.03 0.00 1.31 0.00 0.00 55.95 57.89 3g0b s SER 131 Cb 0.01 -2.09 0.02 0.00 0.21 0.00 0.00 66.02 64.17 3g0b s SER 131 CO -0.07 -0.14 0.11 -0.31 0.41 0.00 0.00 173.24 173.24 3g0b s TYR 132 N -2.00 -0.12 -0.02 2.43 1.51 -1.26 -1.42 117.35 116.46 3g0b s TYR 132 Ca 0.42 0.32 0.05 0.00 -1.01 0.00 0.00 57.07 56.84 3g0b s TYR 132 Cb -0.11 -0.01 -0.01 0.00 -0.11 0.00 0.00 41.96 41.72 3g0b s TYR 132 CO 0.30 -0.08 -0.17 -0.51 -1.11 0.00 0.00 175.55 173.97 3g0b s ASP 133 N 0.39 2.04 -0.13 2.29 1.11 -0.83 -4.34 116.67 117.20 3g0b s ASP 133 Ca -0.03 -0.32 -0.08 0.00 0.18 0.00 0.00 52.55 52.30 3g0b s ASP 133 Cb -0.04 -0.36 -0.04 0.00 1.07 0.00 0.00 42.92 43.55 3g0b s ASP 133 CO -0.02 0.19 0.15 -0.63 1.18 0.00 0.00 175.17 176.04 3g0b s ILE 134 N -0.23 5.47 -0.17 0.77 1.01 -1.26 -0.07 121.20 126.72 3g0b s ILE 134 Ca 0.03 0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.93 3g0b s ILE 134 Cb -0.08 -3.43 0.02 0.00 0.01 0.00 0.00 42.46 38.97 3g0b s ILE 134 CO 0.00 0.57 -0.20 -0.47 0.00 0.00 0.00 174.94 174.84 3g0b s TYR 135 N -0.70 2.73 -0.14 3.97 5.04 -0.18 -1.40 117.35 126.68 3g0b s TYR 135 Ca 0.14 -1.55 -0.29 0.00 -2.44 0.00 0.00 57.07 52.92 3g0b s TYR 135 Cb -0.12 -1.88 -0.02 0.00 0.35 0.00 0.00 41.96 40.29 3g0b s TYR 135 CO 0.03 -0.75 1.36 0.34 -1.34 0.00 0.00 175.55 175.19 3g0b s ASP 136 N 1.16 6.88 0.09 4.32 -1.08 0.22 -0.48 116.67 127.78 3g0b s ASP 136 Ca 0.02 1.83 -0.13 0.00 -0.52 0.00 0.00 52.55 53.75 3g0b s ASP 136 Cb -0.14 -2.54 -0.19 0.00 -1.46 0.00 0.00 42.92 38.59 3g0b s ASP 136 CO -0.10 -0.80 1.24 -0.07 0.52 0.00 0.00 175.17 175.96 3g0b h LEU 137 N 9.84 0.91 -0.34 -1.34 3.38 -0.51 -1.25 115.31 126.00 3g0b h LEU 137 Ca -0.30 -0.68 -0.08 0.00 0.09 0.00 0.00 57.88 56.92 3g0b h LEU 137 Cb 1.12 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3g0b h LEU 137 CO 0.97 1.48 -0.08 0.78 0.09 0.00 0.00 178.44 181.67 3g0b h ASN 138 N 0.45 0.66 1.61 -0.43 2.35 -1.90 -2.79 115.58 115.53 3g0b h ASN 138 Ca -0.10 -0.36 -0.02 0.00 -0.55 0.00 0.00 56.30 55.27 3g0b h ASN 138 Cb 1.57 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.76 3g0b h ASN 138 CO 0.19 0.87 -0.12 0.11 -1.65 0.00 0.00 177.43 176.83 3g0b h LYS 139 N 0.44 0.00 -5.27 0.81 1.57 -1.93 -3.47 116.57 108.73 3g0b h LYS 139 Ca 0.09 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.53 3g0b h LYS 139 Cb 0.58 0.00 0.13 0.00 0.08 0.00 0.00 32.23 33.02 3g0b h LYS 139 CO 0.03 0.12 -0.62 0.54 -0.57 0.00 0.00 179.45 178.95 3g0b n ARG 140 N -3.15 -6.82 -4.21 3.15 1.74 -0.78 -5.03 116.66 101.56 3g0b n ARG 140 Ca 0.03 0.74 -0.12 0.00 -0.77 0.00 0.00 57.85 57.72 3g0b n ARG 140 Cb 0.52 -5.49 -0.10 0.00 -1.02 0.00 0.00 32.46 26.37 3g0b n ARG 140 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3g0b s GLN 141 N -5.97 0.97 -0.18 5.56 -0.21 -0.54 -4.98 119.66 114.30 3g0b s GLN 141 Ca 0.41 -1.42 -0.08 0.00 0.02 0.00 0.00 55.36 54.30 3g0b s GLN 141 Cb -0.18 -0.34 -0.04 0.00 1.00 0.00 0.00 33.01 33.45 3g0b s GLN 141 CO 0.64 -0.02 0.08 -1.17 -2.12 0.00 0.00 175.29 172.70 3g0b s LEU 142 N -3.11 3.91 -0.10 2.90 2.96 -1.26 0.73 118.68 124.70 3g0b s LEU 142 Ca 0.16 0.13 -0.30 0.00 -0.22 0.00 0.00 54.13 53.90 3g0b s LEU 142 Cb 0.05 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 3g0b s LEU 142 CO -0.01 0.19 1.39 -0.63 -1.32 0.00 0.00 176.35 175.96 3g0b s ILE 143 N 0.30 4.01 -1.42 6.68 1.09 -0.49 -4.91 121.20 126.45 3g0b s ILE 143 Ca 0.05 1.25 0.17 0.00 -1.10 0.00 0.00 60.65 61.02 3g0b s ILE 143 Cb -0.12 -3.81 -0.04 0.00 -1.06 0.00 0.00 42.46 37.43 3g0b s ILE 143 CO -0.00 -0.09 0.86 0.35 -0.10 0.00 0.00 174.94 175.96 3g0b n THR 144 N 5.25 0.00 -4.06 2.92 -2.24 -1.26 -4.66 114.28 110.23 3g0b n THR 144 Ca 0.14 -0.27 -0.32 0.00 -2.27 0.00 0.00 64.05 61.34 3g0b n THR 144 Cb 0.44 1.16 -0.06 0.00 -2.10 0.00 0.00 70.33 69.77 3g0b n THR 144 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3g0b s GLU 145 N -2.14 3.04 -1.22 -0.78 -1.05 -1.26 -4.60 118.70 110.68 3g0b s GLU 145 Ca 0.13 -0.56 -0.36 0.00 -0.15 0.00 0.00 54.97 54.03 3g0b s GLU 145 Cb 0.14 -2.83 0.05 0.00 -0.44 0.00 0.00 34.13 31.05 3g0b s GLU 145 CO 0.49 0.61 0.68 0.39 0.95 0.00 0.00 175.26 178.39 3g0b n GLU 146 N 0.77 -0.20 -2.15 -4.83 -0.58 -1.26 -4.63 120.64 107.76 3g0b n GLU 146 Ca -0.10 0.06 -0.33 0.00 -0.42 0.00 0.00 57.16 56.37 3g0b n GLU 146 Cb 0.52 -2.47 0.00 0.00 -0.57 0.00 0.00 31.44 28.93 3g0b n GLU 146 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3g0b s ARG 147 N -7.50 3.39 0.04 3.49 0.52 -1.26 -4.80 118.95 112.84 3g0b s ARG 147 Ca 0.50 1.27 -0.31 0.00 -0.52 0.00 0.00 55.73 56.68 3g0b s ARG 147 Cb -0.28 -2.04 -0.07 0.00 0.52 0.00 0.00 34.95 33.09 3g0b s ARG 147 CO 0.98 -0.76 1.43 0.42 0.02 0.00 0.00 175.30 177.39 3g0b s ILE 148 N -2.31 3.50 0.74 1.52 1.01 -1.26 -4.98 121.20 119.41 3g0b s ILE 148 Ca 0.65 0.96 -0.14 0.00 0.00 0.00 0.00 60.65 62.12 3g0b s ILE 148 Cb -0.17 -3.62 0.04 0.00 0.01 0.00 0.00 42.46 38.73 3g0b s ILE 148 CO 0.33 0.02 1.18 -2.16 0.00 0.00 0.00 174.94 174.31 3g0b s PRO 149 N 2.05 2.14 0.94 2.79 0.04 -1.26 -4.39 135.00 137.30 3g0b s PRO 149 Ca 0.65 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 63.25 3g0b s PRO 149 Cb -0.34 -1.84 0.09 0.00 0.04 0.00 0.00 34.50 32.45 3g0b s PRO 149 CO 0.28 -1.81 0.76 0.09 0.04 0.00 0.00 177.00 176.37 3g0b n ASN 150 N -2.84 -0.92 -2.43 6.66 3.02 -1.26 -3.53 115.26 113.96 3g0b n ASN 150 Ca 0.13 0.37 -0.19 0.00 -0.03 0.00 0.00 54.58 54.86 3g0b n ASN 150 Cb 0.51 -1.34 -0.01 0.00 -0.61 0.00 0.00 39.78 38.33 3g0b n ASN 150 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3g0b n ASN 151 N -2.75 -5.47 -4.72 6.41 4.13 -1.21 -4.95 115.26 106.69 3g0b n ASN 151 Ca 0.09 0.02 -0.42 0.00 1.68 0.00 0.00 54.58 55.96 3g0b n ASN 151 Cb 0.53 -4.56 -0.03 0.00 -1.54 0.00 0.00 39.78 34.17 3g0b n ASN 151 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3g0b s THR 152 N -2.95 3.43 -0.00 3.41 2.01 -0.74 -4.56 115.64 116.24 3g0b s THR 152 Ca 0.01 1.08 0.07 0.00 0.31 0.00 0.00 61.69 63.16 3g0b s THR 152 Cb -0.01 -3.69 -0.24 0.00 0.01 0.00 0.00 72.50 68.58 3g0b s THR 152 CO 0.01 0.11 0.83 1.56 -0.69 0.00 0.00 174.62 176.44 3g0b h GLN 153 N 6.27 0.06 -2.07 4.92 4.20 -0.57 -1.85 115.11 126.07 3g0b h GLN 153 Ca -0.43 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.14 3g0b h GLN 153 Cb 1.21 0.04 -0.21 0.00 0.30 0.00 0.00 27.48 28.82 3g0b h GLN 153 CO 0.82 0.77 0.09 -0.46 -0.67 0.00 0.00 178.83 179.37 3g0b s TRP 154 N -2.63 -0.78 -0.01 2.96 -0.11 -1.18 -4.61 118.94 112.59 3g0b s TRP 154 Ca -0.05 1.87 0.04 0.00 1.22 0.00 0.00 56.10 59.18 3g0b s TRP 154 Cb 0.08 0.28 -0.01 0.00 -1.50 0.00 0.00 33.47 32.32 3g0b s TRP 154 CO 0.82 -0.38 -0.13 0.08 -4.62 0.00 0.00 176.95 172.73 3g0b s VAL 155 N 0.45 1.01 -0.06 5.86 1.01 -1.26 0.18 120.40 127.58 3g0b s VAL 155 Ca -0.01 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 3g0b s VAL 155 Cb -0.05 -0.84 0.03 0.00 0.00 0.00 0.00 36.38 35.52 3g0b s VAL 155 CO -0.00 0.28 0.15 0.28 0.00 0.00 0.00 175.10 175.81 3g0b s THR 156 N -0.31 -0.02 0.68 3.92 -1.32 0.21 -5.00 115.64 113.80 3g0b s THR 156 Ca 0.05 0.08 -0.14 0.00 -1.21 0.00 0.00 61.69 60.47 3g0b s THR 156 Cb -0.05 -0.23 0.01 0.00 -1.51 0.00 0.00 72.50 70.72 3g0b s THR 156 CO -0.00 0.03 1.10 0.26 -2.21 0.00 0.00 174.62 173.80 3g0b s TRP 157 N 0.56 2.62 0.88 9.09 0.52 -1.26 -1.35 118.94 130.01 3g0b s TRP 157 Ca -0.04 1.55 -0.11 0.00 0.02 0.00 0.00 56.10 57.52 3g0b s TRP 157 Cb -0.06 -3.14 0.12 0.00 -1.15 0.00 0.00 33.47 29.25 3g0b s TRP 157 CO -0.03 -1.69 1.10 -1.54 0.02 0.00 0.00 176.95 174.80 3g0b s SER 158 N -2.77 3.51 0.39 2.95 1.04 -0.51 -4.88 113.70 113.43 3g0b s SER 158 Ca 0.66 1.71 0.18 0.00 0.48 0.00 0.00 55.95 58.97 3g0b s SER 158 Cb -0.20 -2.35 0.79 0.00 0.10 0.00 0.00 66.02 64.36 3g0b s SER 158 CO 0.45 -2.65 1.80 -0.65 0.98 0.00 0.00 173.24 173.17 3g0b h PRO 159 N -1.56 0.00 -5.83 4.02 0.11 -1.81 -3.43 132.00 123.51 3g0b h PRO 159 Ca -0.48 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.12 3g0b h PRO 159 Cb 1.27 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.23 3g0b h PRO 159 CO 0.51 0.35 -0.75 0.14 -0.21 0.00 0.00 178.00 178.04 3g0b s VAL 160 N -3.86 1.97 0.00 3.15 -7.23 -1.26 -4.76 120.40 108.40 3g0b s VAL 160 Ca -0.01 -2.21 0.00 0.00 -1.81 0.00 0.00 61.98 57.94 3g0b s VAL 160 Cb 0.12 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.98 3g0b s VAL 160 CO 0.69 -0.48 0.00 0.61 -0.31 0.00 0.00 175.10 175.60 3g0b n GLY 161 N -0.32 0.33 2.27 2.32 0.00 -1.26 -4.53 105.19 104.00 3g0b n GLY 161 Ca -0.08 -0.94 -0.02 0.00 0.00 0.00 0.00 46.02 44.98 3g0b n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3g0b n HIS 162 N 11.95 -0.56 -2.28 1.61 1.44 -1.26 -2.81 115.22 123.31 3g0b n HIS 162 Ca 0.00 -1.47 -0.37 0.00 -2.01 0.00 0.00 57.72 53.88 3g0b n HIS 162 Cb 0.00 0.69 -0.01 0.00 0.12 0.00 0.00 29.99 30.79 3g0b n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3g0b s LYS 163 N -0.97 3.78 -0.09 -1.40 1.02 -1.26 -4.57 119.74 116.25 3g0b s LYS 163 Ca 0.15 1.75 0.03 0.00 0.02 0.00 0.00 55.97 57.92 3g0b s LYS 163 Cb 0.32 -2.41 -0.01 0.00 -0.52 0.00 0.00 37.83 35.22 3g0b s LYS 163 CO -0.09 -0.53 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.12 3g0b s LEU 164 N -3.01 2.43 -0.08 3.17 2.01 0.09 -1.42 118.68 121.86 3g0b s LEU 164 Ca 0.63 -0.39 0.01 0.00 0.01 0.00 0.00 54.13 54.39 3g0b s LEU 164 Cb -0.28 -1.50 -0.03 0.00 0.01 0.00 0.00 46.19 44.40 3g0b s LEU 164 CO 0.34 0.22 -0.10 0.00 1.01 0.00 0.00 176.35 177.82 3g0b s ALA 165 N 0.00 2.80 0.04 4.21 0.00 -0.46 0.09 121.76 128.46 3g0b s ALA 165 Ca -0.06 -0.91 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 3g0b s ALA 165 Cb -0.15 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 3g0b s ALA 165 CO 0.05 0.46 -0.04 1.52 0.00 0.00 0.00 175.76 177.75 3g0b s TYR 166 N -0.41 0.49 -0.15 0.00 -0.85 -0.15 -0.62 117.35 115.65 3g0b s TYR 166 Ca 0.05 -0.85 -0.02 0.00 -0.52 0.00 0.00 57.07 55.74 3g0b s TYR 166 Cb -0.12 -0.34 -0.02 0.00 0.38 0.00 0.00 41.96 41.86 3g0b s TYR 166 CO 0.02 -0.28 -0.09 0.08 -1.52 0.00 0.00 175.55 173.77 3g0b s VAL 167 N -2.96 3.38 -0.05 -3.49 1.01 0.13 -0.71 120.40 117.70 3g0b s VAL 167 Ca -0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 3g0b s VAL 167 Cb 0.01 -2.46 0.03 0.00 0.00 0.00 0.00 36.38 33.96 3g0b s VAL 167 CO -0.06 0.50 0.12 0.86 0.00 0.00 0.00 175.10 176.52 3g0b s TRP 168 N 0.53 -0.12 -1.56 5.22 -0.00 -0.39 0.12 118.94 122.74 3g0b s TRP 168 Ca -0.06 0.38 -0.13 0.00 -0.00 0.00 0.00 56.10 56.30 3g0b s TRP 168 Cb -0.15 -0.09 0.09 0.00 -0.00 0.00 0.00 33.47 33.32 3g0b s TRP 168 CO 0.03 -0.13 0.85 0.09 -0.00 0.00 0.00 176.95 177.79 3g0b n ASN 169 N 3.99 -3.64 -1.11 5.86 5.03 -1.26 -1.88 115.26 122.25 3g0b n ASN 169 Ca -0.24 -0.87 -0.14 0.00 0.87 0.00 0.00 54.58 54.19 3g0b n ASN 169 Cb 0.53 -3.49 -0.06 0.00 -1.02 0.00 0.00 39.78 35.74 3g0b n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3g0b n ASN 170 N -2.81 -4.92 -4.29 6.41 4.13 -1.26 -4.50 115.26 108.02 3g0b n ASN 170 Ca -0.01 0.36 -0.23 0.00 1.68 0.00 0.00 54.58 56.38 3g0b n ASN 170 Cb 0.54 -3.69 -0.12 0.00 -1.54 0.00 0.00 39.78 34.97 3g0b n ASN 170 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3g0b s ASP 171 N -2.77 2.53 -0.02 6.41 -0.00 -0.79 -2.05 116.67 119.99 3g0b s ASP 171 Ca 0.00 -0.72 -0.14 0.00 -0.00 0.00 0.00 52.55 51.69 3g0b s ASP 171 Cb 0.00 -0.14 -0.05 0.00 -0.00 0.00 0.00 42.92 42.73 3g0b s ASP 171 CO 0.00 0.03 0.38 -0.63 -0.00 0.00 0.00 175.17 174.95 3g0b s ILE 172 N -1.37 5.09 0.01 0.77 1.01 -1.26 -1.26 121.20 124.18 3g0b s ILE 172 Ca 0.08 0.76 0.03 0.00 0.00 0.00 0.00 60.65 61.53 3g0b s ILE 172 Cb -0.09 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 3g0b s ILE 172 CO 0.05 0.58 -0.10 -0.31 0.00 0.00 0.00 174.94 175.15 3g0b s TYR 173 N -1.04 0.92 -0.08 3.97 2.02 0.11 -0.85 117.35 122.40 3g0b s TYR 173 Ca 0.23 -0.23 0.05 0.00 -0.37 0.00 0.00 57.07 56.75 3g0b s TYR 173 Cb -0.16 -0.58 -0.00 0.00 -0.40 0.00 0.00 41.96 40.82 3g0b s TYR 173 CO 0.12 -0.01 -0.23 0.08 -1.57 0.00 0.00 175.55 173.94 3g0b s VAL 174 N -0.44 1.95 -0.24 0.71 1.01 -0.52 -0.97 120.40 121.90 3g0b s VAL 174 Ca 0.02 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 60.96 3g0b s VAL 174 Cb -0.05 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 3g0b s VAL 174 CO 0.00 0.54 0.03 -0.54 0.00 0.00 0.00 175.10 175.13 3g0b s LYS 175 N 0.13 3.55 0.17 2.72 1.02 0.11 -0.50 119.74 126.94 3g0b s LYS 175 Ca -0.11 -0.53 -0.03 0.00 0.02 0.00 0.00 55.97 55.31 3g0b s LYS 175 Cb -0.16 -3.20 0.06 0.00 -0.52 0.00 0.00 37.83 34.01 3g0b s LYS 175 CO 0.06 -0.19 1.45 0.82 -0.92 0.00 0.00 175.35 176.57 3g0b h ILE 176 N 5.60 1.35 -3.87 2.17 1.08 -1.84 0.29 117.51 122.28 3g0b h ILE 176 Ca -0.40 -1.99 -0.29 0.00 -0.39 0.00 0.00 64.86 61.79 3g0b h ILE 176 Cb 1.17 1.97 -0.27 0.00 -3.07 0.00 0.00 36.82 36.62 3g0b h ILE 176 CO 0.59 0.61 -0.74 -0.70 -0.69 0.00 0.00 178.15 177.22 3g0b s GLU 177 N -3.77 0.33 0.56 2.37 2.56 -1.26 -4.35 118.70 115.13 3g0b s GLU 177 Ca -0.07 -0.21 0.23 0.00 0.00 0.00 0.00 54.97 54.92 3g0b s GLU 177 Cb 0.11 -0.28 1.54 0.00 2.00 0.00 0.00 34.13 37.50 3g0b s GLU 177 CO 0.85 0.07 2.18 -1.35 -0.56 0.00 0.00 175.26 176.45 3g0b h PRO 178 N 5.85 0.00 -0.34 4.30 0.11 -1.86 -0.75 132.00 139.31 3g0b h PRO 178 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3g0b h PRO 178 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3g0b h PRO 178 CO 0.49 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.55 3g0b n ASN 179 N -4.18 2.98 -4.83 -2.05 6.94 -1.26 -4.83 115.26 108.04 3g0b n ASN 179 Ca -0.02 -1.93 -0.26 0.00 -0.02 0.00 0.00 54.58 52.35 3g0b n ASN 179 Cb 0.14 -0.22 -0.05 0.00 -2.36 0.00 0.00 39.78 37.30 3g0b n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3g0b s LEU 180 N -1.49 3.91 0.79 -4.53 1.02 -0.29 -4.62 118.68 113.47 3g0b s LEU 180 Ca 0.37 -0.06 -0.14 0.00 0.02 0.00 0.00 54.13 54.31 3g0b s LEU 180 Cb 0.21 -2.52 0.04 0.00 0.02 0.00 0.00 46.19 43.95 3g0b s LEU 180 CO 0.30 0.07 0.99 -2.65 0.02 0.00 0.00 176.35 175.08 3g0b n PRO 181 N -0.36 0.26 -2.33 1.29 -0.02 -1.26 -4.82 135.00 127.77 3g0b n PRO 181 Ca -0.08 0.15 -0.31 0.00 -2.02 0.00 0.00 63.50 61.24 3g0b n PRO 181 Cb 0.54 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.74 3g0b n PRO 181 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3g0b s SER 182 N -1.89 6.45 -0.26 2.55 0.01 -1.26 -4.65 113.70 114.64 3g0b s SER 182 Ca 0.71 1.40 -0.06 0.00 1.31 0.00 0.00 55.95 59.31 3g0b s SER 182 Cb -0.31 -2.44 -0.01 0.00 0.21 0.00 0.00 66.02 63.47 3g0b s SER 182 CO 0.53 -0.64 0.05 -0.31 0.41 0.00 0.00 173.24 173.27 3g0b s TYR 183 N -2.77 3.09 -0.25 2.43 2.02 0.34 -4.88 117.35 117.33 3g0b s TYR 183 Ca 0.55 -0.81 -0.28 0.00 -0.37 0.00 0.00 57.07 56.16 3g0b s TYR 183 Cb -0.10 -2.21 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 3g0b s TYR 183 CO 0.40 -0.51 1.94 1.03 -1.57 0.00 0.00 175.55 176.84 3g0b s ARG 184 N 1.53 3.38 -0.06 -0.62 1.81 -1.26 -1.43 118.95 122.29 3g0b s ARG 184 Ca 0.04 1.77 -0.19 0.00 -1.72 0.00 0.00 55.73 55.63 3g0b s ARG 184 Cb -0.16 -4.24 -0.30 0.00 -0.45 0.00 0.00 34.95 29.80 3g0b s ARG 184 CO 0.01 -1.81 0.76 0.82 -0.68 0.00 0.00 175.30 174.41 3g0b h ILE 185 N 6.76 1.30 -4.16 1.52 1.08 -1.36 -3.39 117.51 119.26 3g0b h ILE 185 Ca -0.38 -2.49 -0.69 0.00 -0.39 0.00 0.00 64.86 60.91 3g0b h ILE 185 Cb 1.20 2.99 -0.25 0.00 -3.07 0.00 0.00 36.82 37.69 3g0b h ILE 185 CO 0.99 0.72 -0.85 0.42 -0.69 0.00 0.00 178.15 178.74 3g0b s THR 186 N -2.46 2.38 0.00 -0.27 -4.23 -1.21 -4.76 115.64 105.10 3g0b s THR 186 Ca -0.16 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 3g0b s THR 186 Cb 0.03 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.90 3g0b s THR 186 CO 0.81 0.34 0.88 0.79 -0.54 0.00 0.00 174.62 176.91 3g0b n TRP 187 N 1.64 0.00 0.76 3.99 7.02 -1.26 -4.51 117.44 125.08 3g0b n TRP 187 Ca -0.17 -0.39 0.09 0.00 -1.02 0.00 0.00 57.50 56.01 3g0b n TRP 187 Cb 0.52 -0.04 0.04 0.00 -2.42 0.00 0.00 31.31 29.41 3g0b n TRP 187 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 3g0b n THR 188 N -0.39 0.00 -1.68 -0.99 -2.24 -1.26 -4.99 114.28 102.73 3g0b n THR 188 Ca 0.00 -0.42 -0.45 0.00 -2.27 0.00 0.00 64.05 60.91 3g0b n THR 188 Cb 0.24 1.30 -0.04 0.00 -2.10 0.00 0.00 70.33 69.73 3g0b n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g0b n GLY 189 N 1.10 1.59 2.87 3.38 0.00 -1.26 -4.71 105.19 108.15 3g0b n GLY 189 Ca 0.09 0.78 -0.21 0.00 0.00 0.00 0.00 46.02 46.68 3g0b n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3g0b s LYS 190 N 3.32 0.82 -0.01 1.61 2.20 -1.06 -4.87 119.74 121.76 3g0b s LYS 190 Ca 0.87 -0.07 -0.38 0.00 -0.36 0.00 0.00 55.97 56.02 3g0b s LYS 190 Cb -0.56 -0.90 -0.18 0.00 -1.51 0.00 0.00 37.83 34.68 3g0b s LYS 190 CO 0.43 -0.14 1.33 -1.91 -0.36 0.00 0.00 175.35 174.71 3g0b n GLU 191 N 4.32 0.81 -0.69 4.03 2.13 -1.26 -0.83 120.64 129.15 3g0b n GLU 191 Ca -0.20 0.29 0.00 0.00 0.66 0.00 0.00 57.16 57.91 3g0b n GLU 191 Cb 0.51 -1.90 0.00 0.00 0.27 0.00 0.00 31.44 30.32 3g0b n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3g0b n ASP 192 N 2.68 -1.39 0.04 4.31 8.00 -1.26 -4.72 116.55 124.21 3g0b n ASP 192 Ca 0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.70 3g0b n ASP 192 Cb 0.14 -2.29 0.00 0.00 -0.02 0.00 0.00 41.12 38.96 3g0b n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3g0b n ILE 193 N -2.05 1.01 -4.52 0.53 5.41 -0.01 -4.66 119.36 115.09 3g0b n ILE 193 Ca 0.00 0.34 -0.33 0.00 1.00 0.00 0.00 62.75 63.75 3g0b n ILE 193 Cb 0.10 -1.47 -0.14 0.00 -0.71 0.00 0.00 39.64 37.42 3g0b n ILE 193 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3g0b s ILE 194 N -1.84 3.10 -0.27 1.39 1.09 -0.40 -0.21 121.20 124.06 3g0b s ILE 194 Ca 0.00 -0.63 0.03 0.00 -1.10 0.00 0.00 60.65 58.96 3g0b s ILE 194 Cb 0.00 -2.33 0.07 0.00 -1.06 0.00 0.00 42.46 39.13 3g0b s ILE 194 CO 0.00 0.50 -0.08 -0.31 -0.10 0.00 0.00 174.94 174.95 3g0b s TYR 195 N 0.67 3.33 -0.32 3.97 1.51 -0.04 -2.58 117.35 123.90 3g0b s TYR 195 Ca -0.06 -2.43 -0.14 0.00 -1.01 0.00 0.00 57.07 53.44 3g0b s TYR 195 Cb -0.15 -2.08 -0.02 0.00 -0.11 0.00 0.00 41.96 39.59 3g0b s TYR 195 CO 0.02 -0.89 0.32 -0.80 -1.11 0.00 0.00 175.55 173.09 3g0b s ASN 196 N 1.07 6.15 -0.49 2.29 -0.87 -0.87 -0.62 114.94 121.61 3g0b s ASN 196 Ca -0.06 -0.11 0.00 0.00 -1.57 0.00 0.00 52.86 51.13 3g0b s ASN 196 Cb -0.20 -2.18 0.00 0.00 -0.02 0.00 0.00 41.25 38.85 3g0b s ASN 196 CO -0.06 -0.24 0.00 0.61 -2.57 0.00 0.00 177.10 174.84 3g0b n GLY 197 N 4.94 0.66 3.04 0.66 0.00 -0.01 -4.34 105.19 110.13 3g0b n GLY 197 Ca -0.10 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 3g0b n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3g0b s ILE 198 N -1.87 0.28 0.43 -0.61 -4.36 -1.26 -1.33 121.20 112.47 3g0b s ILE 198 Ca 0.00 -1.29 -0.02 0.00 -0.26 0.00 0.00 60.65 59.08 3g0b s ILE 198 Cb 0.00 -0.81 -0.03 0.00 1.25 0.00 0.00 42.46 42.87 3g0b s ILE 198 CO 0.00 -0.65 0.68 0.42 0.24 0.00 0.00 174.94 175.63 3g0b s THR 199 N -2.33 4.89 0.36 8.37 -4.23 0.30 -4.64 115.64 118.37 3g0b s THR 199 Ca -0.06 -0.13 -0.03 0.00 -1.18 0.00 0.00 61.69 60.29 3g0b s THR 199 Cb -0.04 -3.83 0.08 0.00 1.34 0.00 0.00 72.50 70.06 3g0b s THR 199 CO -0.04 -0.68 0.49 -0.90 -0.54 0.00 0.00 174.62 172.96 3g0b n ASP 200 N -2.06 0.37 0.05 3.99 3.85 -1.26 -4.81 116.55 116.68 3g0b n ASP 200 Ca -0.02 -1.38 -0.11 0.00 -0.71 0.00 0.00 54.79 52.58 3g0b n ASP 200 Cb 0.56 -0.35 -0.04 0.00 -1.35 0.00 0.00 41.12 39.94 3g0b n ASP 200 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.20 175.94 3g0b h TRP 201 N -0.82 -0.44 -0.09 2.11 7.01 -2.00 -2.00 115.95 119.72 3g0b h TRP 201 Ca -0.16 0.02 -0.17 0.00 2.11 0.00 0.00 58.89 60.68 3g0b h TRP 201 Cb 0.53 0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.78 3g0b h TRP 201 CO 0.00 -0.25 -0.67 -0.24 -2.79 0.00 0.00 178.44 174.49 3g0b h VAL 202 N -0.27 1.38 -0.05 2.65 3.04 -1.94 -2.10 116.25 118.95 3g0b h VAL 202 Ca 0.06 -2.06 -0.10 0.00 -1.01 0.00 0.00 66.70 63.59 3g0b h VAL 202 Cb 0.35 2.04 -0.01 0.00 -2.01 0.00 0.00 31.29 31.66 3g0b h VAL 202 CO -0.17 0.62 -0.42 1.88 -1.01 0.00 0.00 177.57 178.46 3g0b h TYR 203 N 0.26 0.14 0.13 3.17 -1.99 -1.92 -0.90 116.97 115.86 3g0b h TYR 203 Ca -0.02 -0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.67 3g0b h TYR 203 Cb 1.22 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.92 3g0b h TYR 203 CO 0.04 0.52 -0.06 1.49 -0.00 0.00 0.00 178.16 180.15 3g0b h GLU 204 N 0.10 -0.17 -0.17 4.88 4.81 -1.15 0.85 114.58 123.74 3g0b h GLU 204 Ca 0.01 0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.08 3g0b h GLU 204 Cb 0.79 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.20 3g0b h GLU 204 CO 0.06 0.26 -0.60 1.49 -0.73 0.00 0.00 179.01 179.49 3g0b h GLU 205 N -0.66 0.56 0.00 1.92 4.57 -1.42 -1.90 114.58 117.65 3g0b h GLU 205 Ca -0.02 -0.38 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 3g0b h GLU 205 Cb 0.50 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 3g0b h GLU 205 CO 0.03 0.99 -0.99 0.39 -1.18 0.00 0.00 179.01 178.25 3g0b n GLU 206 N -3.93 0.55 -0.01 1.92 -0.58 -0.35 -4.65 120.64 113.59 3g0b n GLU 206 Ca -0.04 -0.01 -0.02 0.00 -0.42 0.00 0.00 57.16 56.67 3g0b n GLU 206 Cb 0.64 -1.00 -0.01 0.00 -0.57 0.00 0.00 31.44 30.50 3g0b n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3g0b n VAL 207 N -1.51 0.56 0.48 2.62 0.31 -1.02 -4.86 118.33 114.91 3g0b n VAL 207 Ca -0.00 0.27 0.11 0.00 -0.01 0.00 0.00 64.34 64.71 3g0b n VAL 207 Cb 0.04 -1.58 0.01 0.00 -0.91 0.00 0.00 33.84 31.39 3g0b n VAL 207 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3g0b n PHE 208 N -3.13 0.32 -3.44 3.52 3.72 0.26 -4.95 117.46 113.77 3g0b n PHE 208 Ca -0.03 0.09 -0.25 0.00 -0.05 0.00 0.00 57.45 57.21 3g0b n PHE 208 Cb 0.12 -0.50 0.03 0.00 -0.94 0.00 0.00 39.48 38.19 3g0b n PHE 208 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3g0b n SER 209 N -2.06 -5.22 -3.50 4.37 7.64 -0.73 -4.93 113.62 109.19 3g0b n SER 209 Ca 0.01 -0.49 -0.10 0.00 1.01 0.00 0.00 58.87 59.31 3g0b n SER 209 Cb 0.46 -4.20 -0.03 0.00 -1.01 0.00 0.00 64.21 59.43 3g0b n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3g0b s ALA 210 N -3.17 -1.80 -0.06 -0.43 0.00 -1.13 -4.97 121.76 110.20 3g0b s ALA 210 Ca 0.47 1.02 0.13 0.00 0.00 0.00 0.00 51.96 53.58 3g0b s ALA 210 Cb -0.23 0.34 -0.12 0.00 0.00 0.00 0.00 23.12 23.11 3g0b s ALA 210 CO 0.58 -0.64 1.04 -0.92 0.00 0.00 0.00 175.76 175.82 3g0b h TYR 211 N 2.11 0.00 -3.62 0.00 -0.00 -1.87 -3.38 116.97 110.20 3g0b h TYR 211 Ca -0.24 0.00 -0.52 0.00 -0.00 0.00 0.00 58.73 57.97 3g0b h TYR 211 Cb 1.24 0.00 0.04 0.00 -0.00 0.00 0.00 36.73 38.01 3g0b h TYR 211 CO 0.26 0.74 0.61 0.45 -0.00 0.00 0.00 178.16 180.22 3g0b s SER 212 N -6.21 6.94 -0.31 -2.11 0.15 -1.26 -0.54 113.70 110.36 3g0b s SER 212 Ca -0.01 2.46 0.17 0.00 0.70 0.00 0.00 55.95 59.28 3g0b s SER 212 Cb 0.09 -2.63 0.47 0.00 -1.71 0.00 0.00 66.02 62.24 3g0b s SER 212 CO 0.80 -0.45 1.05 0.00 1.20 0.00 0.00 173.24 175.84 3g0b n ALA 213 N 1.78 3.44 -3.15 5.45 0.00 -0.44 -4.65 120.51 122.94 3g0b n ALA 213 Ca 0.03 -3.18 -0.30 0.00 0.00 0.00 0.00 53.44 49.99 3g0b n ALA 213 Cb 0.43 -0.81 -0.17 0.00 0.00 0.00 0.00 19.45 18.90 3g0b n ALA 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3g0b s LEU 214 N -3.47 1.98 -0.24 0.00 1.43 -1.25 -2.39 118.68 114.75 3g0b s LEU 214 Ca 0.32 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.92 3g0b s LEU 214 Cb 0.40 -1.24 0.07 0.00 0.03 0.00 0.00 46.19 45.45 3g0b s LEU 214 CO -0.01 0.15 0.05 0.26 0.23 0.00 0.00 176.35 177.03 3g0b s TRP 215 N 0.28 1.27 0.45 0.29 0.51 0.61 -4.99 118.94 117.36 3g0b s TRP 215 Ca -0.14 -1.17 -0.23 0.00 -2.12 0.00 0.00 56.10 52.44 3g0b s TRP 215 Cb -0.16 -1.25 -0.08 0.00 -0.81 0.00 0.00 33.47 31.16 3g0b s TRP 215 CO 0.06 -0.71 1.10 -1.58 -0.51 0.00 0.00 176.95 175.31 3g0b s TRP 216 N 1.77 3.03 0.68 -1.98 0.52 -1.26 -0.37 118.94 121.34 3g0b s TRP 216 Ca 0.02 1.58 -0.14 0.00 0.02 0.00 0.00 56.10 57.59 3g0b s TRP 216 Cb -0.17 -3.23 0.01 0.00 -1.15 0.00 0.00 33.47 28.94 3g0b s TRP 216 CO -0.15 -1.06 1.12 -1.54 0.02 0.00 0.00 176.95 175.34 3g0b s SER 217 N -1.57 4.90 0.35 2.95 1.04 0.98 -4.88 113.70 117.48 3g0b s SER 217 Ca 0.63 2.02 0.16 0.00 0.48 0.00 0.00 55.95 59.23 3g0b s SER 217 Cb -0.24 -2.55 1.20 0.00 0.10 0.00 0.00 66.02 64.53 3g0b s SER 217 CO 0.29 -1.77 1.57 -2.65 0.98 0.00 0.00 173.24 171.66 3g0b n PRO 218 N -2.61 -0.06 -0.49 4.02 -0.02 -1.26 -0.20 135.00 134.38 3g0b n PRO 218 Ca 0.11 1.41 0.08 0.00 -2.02 0.00 0.00 63.50 63.07 3g0b n PRO 218 Cb 0.52 -2.45 0.29 0.00 -0.02 0.00 0.00 33.50 31.84 3g0b n PRO 218 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3g0b n ASN 219 N -5.32 4.20 -0.53 2.55 0.23 -1.26 -4.30 115.26 110.83 3g0b n ASN 219 Ca 0.34 -2.49 -0.07 0.00 -0.53 0.00 0.00 54.58 51.83 3g0b n ASN 219 Cb 1.15 -0.50 -0.03 0.00 -2.08 0.00 0.00 39.78 38.33 3g0b n ASN 219 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3g0b n GLY 220 N 0.60 0.90 0.07 4.83 0.00 0.73 -4.65 105.19 107.67 3g0b n GLY 220 Ca 0.22 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 3g0b n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3g0b h THR 221 N 0.00 1.68 -3.13 2.61 2.02 -1.94 -3.46 112.91 110.69 3g0b h THR 221 Ca -0.14 -2.08 -0.67 0.00 0.77 0.00 0.00 66.41 64.28 3g0b h THR 221 Cb 0.45 3.08 -0.13 0.00 -1.74 0.00 0.00 68.15 69.81 3g0b h THR 221 CO 0.21 0.55 -0.58 -0.36 0.37 0.00 0.00 175.52 175.70 3g0b s PHE 222 N -2.72 3.28 -0.30 3.16 0.08 -1.26 -0.71 117.98 119.52 3g0b s PHE 222 Ca -0.18 0.27 -0.06 0.00 0.12 0.00 0.00 56.93 57.08 3g0b s PHE 222 Cb -0.01 -1.85 0.01 0.00 -0.57 0.00 0.00 43.02 40.60 3g0b s PHE 222 CO 0.70 0.52 0.07 -1.17 -0.10 0.00 0.00 175.22 175.24 3g0b s LEU 223 N -0.83 3.86 0.14 -0.37 2.96 0.07 -0.02 118.68 124.50 3g0b s LEU 223 Ca 0.13 -0.77 -0.10 0.00 -0.22 0.00 0.00 54.13 53.16 3g0b s LEU 223 Cb -0.12 -1.87 -0.06 0.00 0.50 0.00 0.00 46.19 44.64 3g0b s LEU 223 CO 0.03 -0.20 0.47 0.00 -1.32 0.00 0.00 176.35 175.32 3g0b s ALA 224 N 1.48 3.66 0.01 5.97 0.00 0.50 -1.29 121.76 132.09 3g0b s ALA 224 Ca 0.02 -0.31 -0.18 0.00 0.00 0.00 0.00 51.96 51.49 3g0b s ALA 224 Cb -0.17 -2.36 0.03 0.00 0.00 0.00 0.00 23.12 20.62 3g0b s ALA 224 CO 0.02 0.53 0.40 1.52 0.00 0.00 0.00 175.76 178.24 3g0b s TYR 225 N -1.54 -0.27 0.06 0.00 -0.85 0.38 -0.28 117.35 114.85 3g0b s TYR 225 Ca 0.39 0.33 -0.07 0.00 -0.52 0.00 0.00 57.07 57.20 3g0b s TYR 225 Cb -0.13 0.19 -0.05 0.00 0.38 0.00 0.00 41.96 42.35 3g0b s TYR 225 CO 0.20 -0.51 0.33 0.00 -1.52 0.00 0.00 175.55 174.05 3g0b s ALA 226 N -1.97 3.80 -0.14 9.51 0.00 -1.00 -0.70 121.76 131.26 3g0b s ALA 226 Ca -0.09 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.37 3g0b s ALA 226 Cb -0.02 -2.13 0.01 0.00 0.00 0.00 0.00 23.12 20.98 3g0b s ALA 226 CO 0.01 0.64 -0.19 -1.14 0.00 0.00 0.00 175.76 175.07 3g0b s GLN 227 N -2.05 2.75 -0.05 0.00 0.74 -0.71 -0.83 119.66 119.51 3g0b s GLN 227 Ca 0.33 -0.75 -0.04 0.00 0.05 0.00 0.00 55.36 54.95 3g0b s GLN 227 Cb -0.13 -2.29 -0.04 0.00 1.10 0.00 0.00 33.01 31.64 3g0b s GLN 227 CO 0.19 -0.08 0.15 -0.06 -0.55 0.00 0.00 175.29 174.94 3g0b s PHE 228 N 1.01 3.52 -0.21 1.67 0.08 0.21 -1.44 117.98 122.81 3g0b s PHE 228 Ca -0.04 0.39 0.01 0.00 0.12 0.00 0.00 56.93 57.42 3g0b s PHE 228 Cb -0.15 -1.86 0.05 0.00 -0.57 0.00 0.00 43.02 40.50 3g0b s PHE 228 CO -0.05 0.66 -0.10 1.21 -0.10 0.00 0.00 175.22 176.85 3g0b s ASN 229 N -1.54 3.60 -0.22 1.36 3.84 -0.04 -0.86 114.94 121.09 3g0b s ASN 229 Ca 0.22 -1.00 0.14 0.00 0.21 0.00 0.00 52.86 52.43 3g0b s ASN 229 Cb -0.12 -1.27 0.57 0.00 -0.55 0.00 0.00 41.25 39.88 3g0b s ASN 229 CO 0.12 -0.16 1.49 0.47 -2.79 0.00 0.00 177.10 176.23 3g0b n ASP 230 N 4.65 3.83 -0.22 -4.21 9.92 0.71 -0.89 116.55 130.33 3g0b n ASP 230 Ca -0.14 -3.18 0.02 0.00 -0.53 0.00 0.00 54.79 50.96 3g0b n ASP 230 Cb 0.46 -0.59 0.13 0.00 -0.64 0.00 0.00 41.12 40.48 3g0b n ASP 230 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 3g0b h THR 231 N 1.85 0.74 -0.31 -3.53 2.02 -1.86 -2.48 112.91 109.34 3g0b h THR 231 Ca 0.07 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3g0b h THR 231 Cb 1.62 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 3g0b h THR 231 CO 0.33 0.08 0.00 -0.62 0.37 0.00 0.00 175.52 175.68 3g0b n GLU 232 N -4.99 2.19 -2.12 6.66 1.02 -1.26 -4.91 120.64 117.23 3g0b n GLU 232 Ca 0.10 -2.01 -0.42 0.00 -0.02 0.00 0.00 57.16 54.81 3g0b n GLU 232 Cb 0.31 -1.40 -0.03 0.00 -0.02 0.00 0.00 31.44 30.31 3g0b n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3g0b s VAL 233 N -1.25 3.73 0.99 2.62 1.01 -0.94 -4.64 120.40 121.91 3g0b s VAL 233 Ca 0.30 0.93 -0.12 0.00 0.00 0.00 0.00 61.98 63.09 3g0b s VAL 233 Cb 0.18 -3.60 0.19 0.00 0.00 0.00 0.00 36.38 33.14 3g0b s VAL 233 CO 0.24 -0.07 1.08 -2.84 0.00 0.00 0.00 175.10 173.52 3g0b s PRO 234 N 3.65 0.46 -0.14 2.72 0.02 -1.26 -4.67 135.00 135.79 3g0b s PRO 234 Ca 0.68 0.94 -0.03 0.00 0.02 0.00 0.00 61.00 62.62 3g0b s PRO 234 Cb -0.31 -1.71 -0.03 0.00 0.02 0.00 0.00 34.50 32.48 3g0b s PRO 234 CO 0.26 -2.82 -0.05 -0.51 -0.33 0.00 0.00 177.00 173.55 3g0b s LEU 235 N -6.63 3.21 0.15 -5.54 1.43 -1.26 -1.35 118.68 108.69 3g0b s LEU 235 Ca 0.66 -0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 53.34 3g0b s LEU 235 Cb -0.21 -1.76 -0.07 0.00 0.03 0.00 0.00 46.19 44.18 3g0b s LEU 235 CO 0.60 0.20 1.08 -0.51 0.23 0.00 0.00 176.35 177.96 3g0b s ILE 236 N 0.14 4.03 -0.06 -0.59 1.10 0.32 -4.83 121.20 121.30 3g0b s ILE 236 Ca -0.02 1.69 0.04 0.00 -0.51 0.00 0.00 60.65 61.85 3g0b s ILE 236 Cb -0.14 -4.08 -0.00 0.00 0.15 0.00 0.00 42.46 38.39 3g0b s ILE 236 CO 0.03 0.26 -0.19 -1.61 -2.11 0.00 0.00 174.94 171.32 3g0b s GLU 237 N -0.09 2.21 0.14 3.50 2.02 -1.26 -0.92 118.70 124.30 3g0b s GLU 237 Ca 0.50 -0.69 -0.14 0.00 0.02 0.00 0.00 54.97 54.65 3g0b s GLU 237 Cb -0.28 -1.82 0.02 0.00 0.10 0.00 0.00 34.13 32.16 3g0b s GLU 237 CO 0.33 0.22 0.37 1.52 0.02 0.00 0.00 175.26 177.72 3g0b s TYR 238 N 0.18 -0.06 0.19 1.61 -0.85 -0.24 -4.98 117.35 113.20 3g0b s TYR 238 Ca -0.09 -0.28 -0.29 0.00 -0.52 0.00 0.00 57.07 55.89 3g0b s TYR 238 Cb -0.14 0.20 -0.08 0.00 0.38 0.00 0.00 41.96 42.31 3g0b s TYR 238 CO 0.04 -0.72 0.91 -1.12 -1.52 0.00 0.00 175.55 173.15 3g0b s SER 239 N -2.84 7.55 -0.15 -0.18 0.01 -1.26 0.21 113.70 117.04 3g0b s SER 239 Ca 0.06 1.84 0.01 0.00 1.31 0.00 0.00 55.95 59.17 3g0b s SER 239 Cb 0.02 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.69 3g0b s SER 239 CO -0.09 0.11 -0.15 0.12 0.41 0.00 0.00 173.24 173.64 3g0b s PHE 240 N -0.84 2.25 -0.10 2.43 2.19 0.26 -4.63 117.98 119.54 3g0b s PHE 240 Ca 0.41 -1.26 0.15 0.00 0.33 0.00 0.00 56.93 56.56 3g0b s PHE 240 Cb -0.25 -1.63 -0.10 0.00 -1.31 0.00 0.00 43.02 39.73 3g0b s PHE 240 CO 0.30 -0.67 1.01 1.88 1.83 0.00 0.00 175.22 179.56 3g0b h TYR 241 N 7.97 0.00 -0.91 10.12 -1.99 -1.95 0.34 116.97 130.55 3g0b h TYR 241 Ca -0.39 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.34 3g0b h TYR 241 Cb 1.14 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.87 3g0b h TYR 241 CO 0.47 0.65 0.00 0.45 -0.00 0.00 0.00 178.16 179.73 3g0b n SER 242 N -3.04 -2.72 -4.67 3.88 2.88 -1.26 -4.68 113.62 104.01 3g0b n SER 242 Ca -0.07 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.13 3g0b n SER 242 Cb 0.85 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.43 3g0b n SER 242 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3g0b n ASP 243 N -3.14 0.91 0.03 -3.46 9.92 -1.26 -4.86 116.55 114.69 3g0b n ASP 243 Ca 0.00 0.61 0.04 0.00 -0.53 0.00 0.00 54.79 54.91 3g0b n ASP 243 Cb 0.00 -1.49 0.19 0.00 -0.64 0.00 0.00 41.12 39.18 3g0b n ASP 243 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 3g0b n GLU 244 N -2.91 0.03 0.20 -1.24 0.28 -1.26 -0.95 120.64 114.79 3g0b n GLU 244 Ca 0.13 0.45 0.12 0.00 -0.16 0.00 0.00 57.16 57.71 3g0b n GLU 244 Cb 0.50 -1.59 0.20 0.00 1.43 0.00 0.00 31.44 31.99 3g0b n GLU 244 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3g0b h SER 245 N 0.00 0.00 -2.81 -1.84 4.64 -1.92 -3.43 113.55 108.19 3g0b h SER 245 Ca 0.00 -0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 3g0b h SER 245 Cb 0.08 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.14 3g0b h SER 245 CO 0.00 0.00 1.21 -0.22 -0.87 0.00 0.00 176.83 176.95 3g0b s LEU 246 N -5.93 3.51 0.12 5.97 2.96 -0.12 -4.89 118.68 120.29 3g0b s LEU 246 Ca 0.07 1.06 -0.14 0.00 -0.22 0.00 0.00 54.13 54.91 3g0b s LEU 246 Cb 0.06 -3.44 -0.04 0.00 0.50 0.00 0.00 46.19 43.27 3g0b s LEU 246 CO 0.66 -1.67 1.50 -0.61 -1.32 0.00 0.00 176.35 174.91 3g0b h GLN 247 N 12.31 0.73 -5.13 1.98 4.15 -1.88 -3.42 115.11 123.85 3g0b h GLN 247 Ca -0.31 -0.30 -0.66 0.00 0.77 0.00 0.00 58.65 58.14 3g0b h GLN 247 Cb 1.15 -0.03 -0.30 0.00 0.21 0.00 0.00 27.48 28.51 3g0b h GLN 247 CO 1.06 0.91 -0.78 0.71 -1.93 0.00 0.00 178.83 178.80 3g0b s TYR 248 N -4.70 2.84 0.69 3.99 2.02 -1.26 -5.10 117.35 115.83 3g0b s TYR 248 Ca -0.13 -1.06 -0.16 0.00 -0.37 0.00 0.00 57.07 55.35 3g0b s TYR 248 Cb 0.10 -1.95 -0.03 0.00 -0.40 0.00 0.00 41.96 39.67 3g0b s TYR 248 CO 0.82 -0.51 0.69 -2.30 -1.57 0.00 0.00 175.55 172.67 3g0b n PRO 249 N 4.29 0.43 -3.57 -1.71 -0.02 -1.26 -4.99 135.00 128.17 3g0b n PRO 249 Ca -0.19 0.19 -0.36 0.00 -2.02 0.00 0.00 63.50 61.12 3g0b n PRO 249 Cb 0.51 -1.95 -0.06 0.00 -0.02 0.00 0.00 33.50 31.98 3g0b n PRO 249 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3g0b s LYS 250 N -2.84 3.81 -0.34 -0.52 2.20 0.12 -4.90 119.74 117.26 3g0b s LYS 250 Ca 0.69 0.26 -0.13 0.00 -0.36 0.00 0.00 55.97 56.43 3g0b s LYS 250 Cb -0.36 -3.12 -0.02 0.00 -1.51 0.00 0.00 37.83 32.82 3g0b s LYS 250 CO 0.54 0.64 0.24 0.99 -0.36 0.00 0.00 175.35 177.40 3g0b s THR 251 N -1.22 5.28 0.02 3.43 2.01 -1.26 0.91 115.64 124.81 3g0b s THR 251 Ca 0.27 -0.21 -0.25 0.00 0.31 0.00 0.00 61.69 61.81 3g0b s THR 251 Cb -0.15 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 3g0b s THR 251 CO 0.15 -0.01 0.78 -0.69 -0.69 0.00 0.00 174.62 174.16 3g0b s VAL 252 N 1.72 4.80 -0.17 3.82 1.01 0.13 -4.90 120.40 126.82 3g0b s VAL 252 Ca 0.06 1.65 -0.00 0.00 0.00 0.00 0.00 61.98 63.69 3g0b s VAL 252 Cb -0.17 -4.13 0.04 0.00 0.00 0.00 0.00 36.38 32.12 3g0b s VAL 252 CO 0.11 0.32 -0.08 -0.13 0.00 0.00 0.00 175.10 175.32 3g0b s ARG 253 N 0.23 1.69 -0.10 2.72 0.52 -1.26 -1.08 118.95 121.68 3g0b s ARG 253 Ca 0.40 -0.58 0.03 0.00 -0.52 0.00 0.00 55.73 55.05 3g0b s ARG 253 Cb -0.20 -2.09 0.01 0.00 0.52 0.00 0.00 34.95 33.19 3g0b s ARG 253 CO 0.23 -0.40 -0.18 0.08 0.02 0.00 0.00 175.30 175.05 3g0b s VAL 254 N 1.56 1.63 0.04 3.52 1.01 -0.10 -4.95 120.40 123.12 3g0b s VAL 254 Ca 0.01 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 3g0b s VAL 254 Cb -0.15 -1.45 -0.08 0.00 0.00 0.00 0.00 36.38 34.70 3g0b s VAL 254 CO -0.08 0.47 1.66 -2.84 0.00 0.00 0.00 175.10 174.30 3g0b s PRO 255 N 0.66 4.19 -0.25 2.72 0.02 -1.26 -0.52 135.00 140.56 3g0b s PRO 255 Ca -0.13 2.31 -0.03 0.00 0.02 0.00 0.00 61.00 63.17 3g0b s PRO 255 Cb -0.16 -3.69 0.14 0.00 0.02 0.00 0.00 34.50 30.80 3g0b s PRO 255 CO 0.04 -0.76 0.42 -0.47 -0.33 0.00 0.00 177.00 175.89 3g0b s TYR 256 N 2.96 -0.95 -0.51 6.54 5.04 -0.46 -4.47 117.35 125.51 3g0b s TYR 256 Ca 0.74 1.04 -0.28 0.00 -2.44 0.00 0.00 57.07 56.13 3g0b s TYR 256 Cb -0.39 0.13 0.03 0.00 0.35 0.00 0.00 41.96 42.09 3g0b s TYR 256 CO 0.32 -0.73 1.12 -1.25 -1.34 0.00 0.00 175.55 173.67 3g0b s PRO 257 N 2.60 3.63 0.74 4.97 0.04 -1.26 -4.51 135.00 141.22 3g0b s PRO 257 Ca 0.13 0.40 -0.11 0.00 0.04 0.00 0.00 61.00 61.46 3g0b s PRO 257 Cb -0.15 -3.94 0.04 0.00 0.04 0.00 0.00 34.50 30.48 3g0b s PRO 257 CO -0.16 -1.45 1.08 0.15 0.04 0.00 0.00 177.00 176.66 3g0b s LYS 258 N 4.49 2.53 0.13 4.56 1.02 -1.26 -0.02 119.74 131.19 3g0b s LYS 258 Ca 0.45 0.73 -0.35 0.00 0.02 0.00 0.00 55.97 56.82 3g0b s LYS 258 Cb -0.08 -1.96 -0.15 0.00 -0.52 0.00 0.00 37.83 35.12 3g0b s LYS 258 CO 0.29 -1.33 1.46 0.00 -0.92 0.00 0.00 175.35 174.85 3g0b n ALA 259 N -3.25 0.31 -0.52 5.17 0.00 0.85 -1.27 120.51 121.79 3g0b n ALA 259 Ca 0.07 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3g0b n ALA 259 Cb 0.55 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.78 3g0b n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g0b n GLY 260 N 2.95 1.24 3.94 0.00 0.00 -1.26 -4.86 105.19 107.20 3g0b n GLY 260 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 3g0b n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g0b s ALA 261 N -3.24 3.04 0.03 4.61 0.00 -0.40 -5.00 121.76 120.79 3g0b s ALA 261 Ca 0.00 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 50.51 3g0b s ALA 261 Cb 0.00 -2.53 -0.08 0.00 0.00 0.00 0.00 23.12 20.51 3g0b s ALA 261 CO 0.00 -1.61 1.70 0.08 0.00 0.00 0.00 175.76 175.93 3g0b s VAL 262 N -3.39 3.17 0.40 0.00 1.01 -1.26 -4.93 120.40 115.41 3g0b s VAL 262 Ca 0.65 0.47 -0.11 0.00 0.00 0.00 0.00 61.98 62.98 3g0b s VAL 262 Cb -0.08 -3.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.93 3g0b s VAL 262 CO 0.47 -0.02 0.78 0.20 0.00 0.00 0.00 175.10 176.53 3g0b s ASN 263 N 2.94 6.55 0.61 3.32 0.01 -1.26 -4.31 114.94 122.80 3g0b s ASN 263 Ca 0.76 1.17 -0.18 0.00 -0.71 0.00 0.00 52.86 53.90 3g0b s ASN 263 Cb -0.39 -2.34 -0.04 0.00 0.41 0.00 0.00 41.25 38.89 3g0b s ASN 263 CO 0.33 -0.39 1.03 -0.81 -1.51 0.00 0.00 177.10 175.74 3g0b n PRO 264 N -1.24 0.95 -3.45 -0.60 -0.04 -1.26 -4.74 135.00 124.63 3g0b n PRO 264 Ca 0.03 0.37 -0.19 0.00 -0.04 0.00 0.00 63.50 63.66 3g0b n PRO 264 Cb 0.54 -2.23 -0.01 0.00 -0.04 0.00 0.00 33.50 31.75 3g0b n PRO 264 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3g0b s THR 265 N -1.49 3.38 -0.04 0.52 -4.23 -0.07 -4.92 115.64 108.79 3g0b s THR 265 Ca 0.77 -1.16 -0.04 0.00 -1.18 0.00 0.00 61.69 60.08 3g0b s THR 265 Cb -0.41 -3.17 0.01 0.00 1.34 0.00 0.00 72.50 70.28 3g0b s THR 265 CO 0.46 -0.09 0.12 0.54 -0.54 0.00 0.00 174.62 175.11 3g0b s VAL 266 N -2.31 -0.00 0.26 2.29 0.11 -1.26 -0.86 120.40 118.63 3g0b s VAL 266 Ca 0.47 0.01 0.08 0.00 -2.93 0.00 0.00 61.98 59.61 3g0b s VAL 266 Cb -0.07 -0.17 -0.05 0.00 -1.53 0.00 0.00 36.38 34.55 3g0b s VAL 266 CO 0.30 0.00 -0.11 -0.54 -3.33 0.00 0.00 175.10 171.42 3g0b s LYS 267 N 0.10 1.53 -0.04 1.54 1.02 -0.52 -4.98 119.74 118.38 3g0b s LYS 267 Ca -0.00 -1.74 0.03 0.00 0.02 0.00 0.00 55.97 54.27 3g0b s LYS 267 Cb -0.01 -1.29 0.01 0.00 -0.52 0.00 0.00 37.83 36.02 3g0b s LYS 267 CO -0.00 0.13 -0.11 0.12 -0.92 0.00 0.00 175.35 174.57 3g0b s PHE 268 N -2.89 1.26 0.10 3.18 5.36 -1.25 -1.73 117.98 122.01 3g0b s PHE 268 Ca 0.28 -0.39 0.05 0.00 -0.96 0.00 0.00 56.93 55.91 3g0b s PHE 268 Cb 0.01 -0.91 -0.03 0.00 -0.34 0.00 0.00 43.02 41.75 3g0b s PHE 268 CO 0.11 -0.18 -0.13 -0.06 -1.46 0.00 0.00 175.22 173.51 3g0b s PHE 269 N 0.39 1.22 -0.06 10.12 0.40 0.12 0.46 117.98 130.62 3g0b s PHE 269 Ca -0.08 -0.56 0.01 0.00 -0.60 0.00 0.00 56.93 55.69 3g0b s PHE 269 Cb -0.12 -0.66 0.02 0.00 0.51 0.00 0.00 43.02 42.77 3g0b s PHE 269 CO 0.02 0.07 -0.06 0.08 0.70 0.00 0.00 175.22 176.03 3g0b s VAL 270 N -2.01 0.71 -0.04 -0.44 1.01 0.10 -0.47 120.40 119.26 3g0b s VAL 270 Ca 0.04 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 61.89 3g0b s VAL 270 Cb -0.06 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 3g0b s VAL 270 CO 0.02 0.28 -0.16 0.54 0.00 0.00 0.00 175.10 175.77 3g0b s VAL 271 N 1.15 2.88 -0.40 2.92 0.11 -0.41 -1.18 120.40 125.47 3g0b s VAL 271 Ca -0.07 -0.82 -0.25 0.00 -2.93 0.00 0.00 61.98 57.91 3g0b s VAL 271 Cb -0.14 -2.12 0.02 0.00 -1.53 0.00 0.00 36.38 32.61 3g0b s VAL 271 CO -0.01 0.57 0.89 0.21 -3.33 0.00 0.00 175.10 173.42 3g0b s ASN 272 N -0.77 6.58 0.00 3.54 3.84 -1.26 -0.75 114.94 126.12 3g0b s ASN 272 Ca 0.12 0.36 0.25 0.00 0.21 0.00 0.00 52.86 53.79 3g0b s ASN 272 Cb -0.10 -2.44 1.04 0.00 -0.55 0.00 0.00 41.25 39.19 3g0b s ASN 272 CO 0.01 -0.89 1.72 0.35 -2.79 0.00 0.00 177.10 175.50 3g0b n THR 273 N 6.08 0.08 0.38 -5.21 -2.24 0.12 -3.48 114.28 110.00 3g0b n THR 273 Ca 0.06 -0.24 0.11 0.00 -2.27 0.00 0.00 64.05 61.71 3g0b n THR 273 Cb 0.48 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 3g0b n THR 273 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3g0b n ASP 274 N 0.01 0.60 -1.08 3.42 8.00 -1.25 -4.24 116.55 122.01 3g0b n ASP 274 Ca 0.18 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.66 3g0b n ASP 274 Cb 0.29 0.81 0.22 0.00 -0.02 0.00 0.00 41.12 42.43 3g0b n ASP 274 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3g0b n SER 275 N -2.19 3.09 -4.76 -2.24 3.41 -1.23 -5.03 113.62 104.67 3g0b n SER 275 Ca 0.01 -3.45 -0.35 0.00 -0.26 0.00 0.00 58.87 54.82 3g0b n SER 275 Cb 0.48 -0.61 0.03 0.00 -0.26 0.00 0.00 64.21 63.86 3g0b n SER 275 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3g0b s LEU 276 N -3.08 3.59 0.04 1.04 1.02 -1.26 -5.05 118.68 114.99 3g0b s LEU 276 Ca 0.44 2.21 0.00 0.00 0.02 0.00 0.00 54.13 56.80 3g0b s LEU 276 Cb 0.38 -4.58 -0.03 0.00 0.02 0.00 0.00 46.19 41.98 3g0b s LEU 276 CO 0.04 -1.54 -0.04 -0.55 0.02 0.00 0.00 176.35 174.28 3g0b s SER 277 N -1.96 0.54 -0.09 2.29 0.15 -1.26 -5.07 113.70 108.30 3g0b s SER 277 Ca 0.73 -0.76 -0.05 0.00 0.70 0.00 0.00 55.95 56.57 3g0b s SER 277 Cb -0.25 0.13 -0.27 0.00 -1.71 0.00 0.00 66.02 63.92 3g0b s SER 277 CO 0.34 -0.42 0.48 0.28 1.20 0.00 0.00 173.24 175.13 3g0b h SER 278 N 3.86 0.40 0.87 5.45 0.02 -2.00 -3.39 113.55 118.76 3g0b h SER 278 Ca -0.34 -0.81 -0.07 0.00 -0.84 0.00 0.00 61.79 59.73 3g0b h SER 278 Cb 1.18 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 3g0b h SER 278 CO 0.53 1.72 -0.35 0.58 -1.14 0.00 0.00 176.83 178.17 3g0b h VAL 279 N 0.07 0.82 -4.09 2.27 2.07 -2.04 -3.45 116.25 111.90 3g0b h VAL 279 Ca -0.38 -1.45 -0.47 0.00 0.82 0.00 0.00 66.70 65.22 3g0b h VAL 279 Cb 2.04 1.90 -0.26 0.00 -1.52 0.00 0.00 31.29 33.46 3g0b h VAL 279 CO 0.11 0.34 -0.80 0.42 0.02 0.00 0.00 177.57 177.65 3g0b s THR 280 N -3.61 1.19 0.37 2.57 -4.23 -1.26 -5.13 115.64 105.53 3g0b s THR 280 Ca 0.00 -0.95 -0.28 0.00 -1.18 0.00 0.00 61.69 59.28 3g0b s THR 280 Cb 0.11 -1.05 -0.10 0.00 1.34 0.00 0.00 72.50 72.79 3g0b s THR 280 CO 0.68 0.09 1.33 0.20 -0.54 0.00 0.00 174.62 176.38 3g0b s ASN 281 N -0.99 6.54 0.05 3.99 0.01 -1.26 -4.46 114.94 118.82 3g0b s ASN 281 Ca 0.03 2.74 -0.31 0.00 -0.71 0.00 0.00 52.86 54.61 3g0b s ASN 281 Cb -0.08 -2.65 -0.07 0.00 0.41 0.00 0.00 41.25 38.86 3g0b s ASN 281 CO 0.01 -0.70 1.58 0.00 -1.51 0.00 0.00 177.10 176.47 3g0b s ALA 282 N -1.18 3.65 -0.23 0.60 0.00 -1.26 -4.98 121.76 118.36 3g0b s ALA 282 Ca 0.52 1.11 -0.22 0.00 0.00 0.00 0.00 51.96 53.38 3g0b s ALA 282 Cb -0.40 -3.67 -0.02 0.00 0.00 0.00 0.00 23.12 19.04 3g0b s ALA 282 CO 0.53 -1.05 0.68 0.95 0.00 0.00 0.00 175.76 176.88 3g0b s THR 283 N 2.56 4.96 -0.11 0.00 -4.23 -1.26 -4.94 115.64 112.61 3g0b s THR 283 Ca 0.71 1.26 -0.12 0.00 -1.18 0.00 0.00 61.69 62.36 3g0b s THR 283 Cb -0.37 -3.98 -0.05 0.00 1.34 0.00 0.00 72.50 69.44 3g0b s THR 283 CO 0.30 0.03 0.27 -0.44 -0.54 0.00 0.00 174.62 174.24 3g0b s SER 284 N 1.37 6.50 -0.30 3.99 0.01 -1.26 -4.64 113.70 119.37 3g0b s SER 284 Ca 0.29 0.59 -0.17 0.00 1.31 0.00 0.00 55.95 57.97 3g0b s SER 284 Cb -0.16 -2.16 -0.02 0.00 0.21 0.00 0.00 66.02 63.89 3g0b s SER 284 CO 0.09 0.24 0.47 -0.63 0.41 0.00 0.00 173.24 173.82 3g0b s ILE 285 N -0.30 5.08 0.15 1.44 -1.09 -0.33 -4.86 121.20 121.29 3g0b s ILE 285 Ca 0.17 0.57 -0.30 0.00 -2.23 0.00 0.00 60.65 58.86 3g0b s ILE 285 Cb -0.13 -3.84 -0.07 0.00 -1.58 0.00 0.00 42.46 36.83 3g0b s ILE 285 CO 0.06 -0.01 1.19 -1.58 -1.23 0.00 0.00 174.94 173.36 3g0b s GLN 286 N 2.27 4.49 -0.33 2.79 0.74 -1.26 -0.73 119.66 127.63 3g0b s GLN 286 Ca 0.18 1.82 -0.09 0.00 0.05 0.00 0.00 55.36 57.32 3g0b s GLN 286 Cb -0.16 -3.28 0.01 0.00 1.10 0.00 0.00 33.01 30.69 3g0b s GLN 286 CO 0.11 -0.12 0.15 0.42 -0.55 0.00 0.00 175.29 175.30 3g0b s ILE 287 N 0.27 4.34 0.39 -2.34 1.01 0.17 -4.89 121.20 120.14 3g0b s ILE 287 Ca 0.54 -0.73 -0.24 0.00 0.00 0.00 0.00 60.65 60.22 3g0b s ILE 287 Cb -0.31 -3.32 -0.09 0.00 0.01 0.00 0.00 42.46 38.74 3g0b s ILE 287 CO 0.34 -0.07 1.02 0.42 0.00 0.00 0.00 174.94 176.65 3g0b s THR 288 N 1.54 3.87 0.59 2.92 -4.23 -1.26 -3.89 115.64 115.18 3g0b s THR 288 Ca 0.02 1.43 -0.19 0.00 -1.18 0.00 0.00 61.69 61.77 3g0b s THR 288 Cb -0.18 -3.74 -0.03 0.00 1.34 0.00 0.00 72.50 69.89 3g0b s THR 288 CO 0.05 0.00 1.25 0.00 -0.54 0.00 0.00 174.62 175.39 3g0b s ALA 289 N -1.69 2.56 0.76 3.99 0.00 -1.26 -4.98 121.76 121.13 3g0b s ALA 289 Ca 0.57 1.11 -0.14 0.00 0.00 0.00 0.00 51.96 53.51 3g0b s ALA 289 Cb -0.20 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.48 3g0b s ALA 289 CO 0.26 -1.29 1.16 -1.25 0.00 0.00 0.00 175.76 174.64 3g0b s PRO 290 N -3.25 2.06 0.30 0.00 0.04 -1.26 -4.71 135.00 128.17 3g0b s PRO 290 Ca 0.77 1.59 0.05 0.00 0.04 0.00 0.00 61.00 63.45 3g0b s PRO 290 Cb -0.34 -1.84 0.77 0.00 0.04 0.00 0.00 34.50 33.13 3g0b s PRO 290 CO 0.37 -1.86 1.68 0.00 0.04 0.00 0.00 177.00 177.23 3g0b h ALA 291 N -0.63 1.48 0.00 8.56 0.00 -1.98 0.14 119.26 126.82 3g0b h ALA 291 Ca -0.46 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3g0b h ALA 291 Cb 1.27 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3g0b h ALA 291 CO 0.49 -0.40 0.00 0.66 0.00 0.00 0.00 179.25 180.00 3g0b h SER 292 N 0.35 0.00 0.00 0.00 4.64 -2.02 -2.31 113.55 114.21 3g0b h SER 292 Ca 0.58 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.57 3g0b h SER 292 Cb 1.15 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.18 3g0b h SER 292 CO -0.56 0.00 -2.24 0.23 -0.87 0.00 0.00 176.83 173.38 3g0b n MET 293 N -2.61 0.84 0.17 4.77 2.00 0.44 -4.43 117.12 118.30 3g0b n MET 293 Ca -0.01 0.06 0.13 0.00 0.00 0.00 0.00 57.70 57.88 3g0b n MET 293 Cb 0.09 -1.45 0.51 0.00 0.00 0.00 0.00 33.22 32.38 3g0b n MET 293 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3g0b h LEU 294 N 0.00 0.00 -1.95 4.03 3.38 -0.93 -2.92 115.31 116.92 3g0b h LEU 294 Ca -0.49 0.00 0.24 0.00 0.09 0.00 0.00 57.88 57.72 3g0b h LEU 294 Cb 1.92 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.64 3g0b h LEU 294 CO -0.03 0.00 0.66 -0.29 0.09 0.00 0.00 178.44 178.87 3g0b h ILE 295 N 0.00 0.46 -0.39 1.22 -0.00 -1.64 -3.46 117.51 113.70 3g0b h ILE 295 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 3g0b h ILE 295 Cb 0.48 0.52 0.00 0.00 -0.00 0.00 0.00 36.82 37.83 3g0b h ILE 295 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.76 3g0b n GLY 296 N -1.67 2.65 3.75 8.18 0.00 -1.10 -5.14 105.19 111.85 3g0b n GLY 296 Ca 0.17 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 3g0b n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3g0b s ASP 297 N 2.00 6.41 0.27 1.61 1.01 -1.26 -4.95 116.67 121.76 3g0b s ASP 297 Ca 0.00 2.91 -0.12 0.00 0.71 0.00 0.00 52.55 56.06 3g0b s ASP 297 Cb 0.00 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.30 3g0b s ASP 297 CO 0.00 -0.88 0.51 -1.38 0.21 0.00 0.00 175.17 173.63 3g0b s HIS 298 N -0.02 0.43 0.08 4.23 -3.43 -1.26 -0.82 115.29 114.50 3g0b s HIS 298 Ca 0.63 -0.80 0.06 0.00 -0.80 0.00 0.00 55.06 54.14 3g0b s HIS 298 Cb -0.47 0.22 -0.03 0.00 -1.43 0.00 0.00 32.58 30.87 3g0b s HIS 298 CO 0.47 -1.07 -0.16 0.71 -2.00 0.00 0.00 174.74 172.70 3g0b s TYR 299 N -3.73 1.38 -0.11 0.38 2.02 0.20 -4.81 117.35 112.67 3g0b s TYR 299 Ca 0.23 -0.46 -0.27 0.00 -0.37 0.00 0.00 57.07 56.20 3g0b s TYR 299 Cb -0.01 -0.76 -0.02 0.00 -0.40 0.00 0.00 41.96 40.77 3g0b s TYR 299 CO 0.11 0.10 0.87 -1.17 -1.57 0.00 0.00 175.55 173.89 3g0b s LEU 300 N -1.85 4.25 0.00 -1.29 2.96 -1.26 -0.70 118.68 120.78 3g0b s LEU 300 Ca 0.01 1.33 0.00 0.00 -0.22 0.00 0.00 54.13 55.25 3g0b s LEU 300 Cb -0.10 -3.33 0.00 0.00 0.50 0.00 0.00 46.19 43.27 3g0b s LEU 300 CO 0.03 -0.34 0.00 0.00 -1.32 0.00 0.00 176.35 174.72 3g0b s ASP 302 N -1.13 -0.57 -0.09 0.00 2.15 -1.09 -4.90 116.67 111.03 3g0b s ASP 302 Ca 0.00 1.06 0.01 0.00 0.43 0.00 0.00 52.55 54.05 3g0b s ASP 302 Cb 0.00 1.03 0.02 0.00 -0.30 0.00 0.00 42.92 43.67 3g0b s ASP 302 CO 0.00 -0.19 -0.11 -0.69 -0.17 0.00 0.00 175.17 174.01 3g0b s VAL 303 N 0.61 1.16 -0.11 1.11 1.01 -1.26 -1.12 120.40 121.80 3g0b s VAL 303 Ca -0.03 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 3g0b s VAL 303 Cb -0.05 -1.10 0.06 0.00 0.00 0.00 0.00 36.38 35.29 3g0b s VAL 303 CO -0.04 0.37 0.19 -0.89 0.00 0.00 0.00 175.10 174.73 3g0b s THR 304 N 1.05 -0.29 0.16 3.92 2.01 -0.37 -5.04 115.64 117.08 3g0b s THR 304 Ca -0.07 0.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 3g0b s THR 304 Cb -0.15 -0.39 -0.08 0.00 0.01 0.00 0.00 72.50 71.90 3g0b s THR 304 CO -0.01 0.08 1.27 0.26 -0.69 0.00 0.00 174.62 175.53 3g0b s TRP 305 N 2.32 3.33 -0.21 4.92 0.52 -1.26 0.09 118.94 128.64 3g0b s TRP 305 Ca 0.03 1.25 -0.06 0.00 0.02 0.00 0.00 56.10 57.34 3g0b s TRP 305 Cb -0.13 -3.54 -0.20 0.00 -1.15 0.00 0.00 33.47 28.46 3g0b s TRP 305 CO -0.07 -1.68 0.01 0.00 0.02 0.00 0.00 176.95 175.23 3g0b n ALA 306 N 2.96 1.13 -3.07 0.98 0.00 0.47 -4.88 120.51 118.08 3g0b n ALA 306 Ca 0.07 -0.85 -0.01 0.00 0.00 0.00 0.00 53.44 52.64 3g0b n ALA 306 Cb 0.44 -0.32 -0.00 0.00 0.00 0.00 0.00 19.45 19.56 3g0b n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3g0b n THR 307 N -3.63 0.00 0.28 0.00 -2.24 -0.85 -4.51 114.28 103.33 3g0b n THR 307 Ca -0.41 -0.14 0.15 0.00 -2.27 0.00 0.00 64.05 61.39 3g0b n THR 307 Cb 0.96 0.08 0.84 0.00 -2.10 0.00 0.00 70.33 70.11 3g0b n THR 307 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3g0b h GLN 308 N 0.00 0.00 0.00 -0.78 1.08 -1.97 -3.28 115.11 110.16 3g0b h GLN 308 Ca -0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3g0b h GLN 308 Cb 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 3g0b h GLN 308 CO 0.02 0.06 -0.23 0.39 -0.95 0.00 0.00 178.83 178.13 3g0b n GLU 309 N -3.59 0.45 -3.79 1.46 1.02 -1.26 -4.84 120.64 110.08 3g0b n GLU 309 Ca -0.02 -1.10 -0.20 0.00 -0.02 0.00 0.00 57.16 55.82 3g0b n GLU 309 Cb 0.18 -0.68 -0.17 0.00 -0.02 0.00 0.00 31.44 30.74 3g0b n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3g0b s ARG 310 N -0.48 0.26 -0.03 3.49 3.52 -1.24 -1.29 118.95 123.18 3g0b s ARG 310 Ca 0.04 0.19 0.07 0.00 -0.13 0.00 0.00 55.73 55.90 3g0b s ARG 310 Cb 0.04 -0.63 -0.02 0.00 -1.56 0.00 0.00 34.95 32.78 3g0b s ARG 310 CO 0.00 -0.25 -0.24 -1.50 -0.81 0.00 0.00 175.30 172.50 3g0b s ILE 311 N 1.67 1.92 -0.15 4.11 2.07 -0.25 -0.40 121.20 130.18 3g0b s ILE 311 Ca -0.01 -1.03 -0.05 0.00 -1.41 0.00 0.00 60.65 58.15 3g0b s ILE 311 Cb -0.13 -1.60 -0.03 0.00 0.13 0.00 0.00 42.46 40.83 3g0b s ILE 311 CO -0.03 0.54 0.02 -0.94 -1.91 0.00 0.00 174.94 172.62 3g0b s SER 312 N -0.46 5.28 -0.03 4.50 1.04 0.11 0.14 113.70 124.28 3g0b s SER 312 Ca 0.06 0.03 0.06 0.00 0.48 0.00 0.00 55.95 56.58 3g0b s SER 312 Cb -0.10 -1.82 -0.01 0.00 0.10 0.00 0.00 66.02 64.19 3g0b s SER 312 CO 0.00 0.22 -0.22 -0.76 0.98 0.00 0.00 173.24 173.46 3g0b s LEU 313 N 0.10 2.02 -0.10 2.42 1.43 0.42 -1.23 118.68 123.75 3g0b s LEU 313 Ca 0.02 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 3g0b s LEU 313 Cb -0.13 -1.14 -0.01 0.00 0.03 0.00 0.00 46.19 44.94 3g0b s LEU 313 CO 0.02 0.24 -0.17 -1.10 0.23 0.00 0.00 176.35 175.57 3g0b s GLN 314 N -0.35 3.02 0.15 1.70 -0.21 -0.27 0.48 119.66 124.18 3g0b s GLN 314 Ca 0.04 -0.76 0.11 0.00 0.02 0.00 0.00 55.36 54.77 3g0b s GLN 314 Cb -0.10 -2.45 -0.04 0.00 1.00 0.00 0.00 33.01 31.42 3g0b s GLN 314 CO 0.01 0.31 -0.23 -1.58 -2.12 0.00 0.00 175.29 171.68 3g0b s TRP 315 N 0.06 2.37 -0.07 0.91 0.52 0.10 -0.34 118.94 122.48 3g0b s TRP 315 Ca -0.07 -0.34 0.01 0.00 0.02 0.00 0.00 56.10 55.71 3g0b s TRP 315 Cb -0.15 -1.23 0.02 0.00 -1.15 0.00 0.00 33.47 30.96 3g0b s TRP 315 CO 0.05 0.41 -0.06 -1.17 0.02 0.00 0.00 176.95 176.20 3g0b s LEU 316 N -2.33 1.25 0.68 2.99 0.20 0.12 -1.57 118.68 120.00 3g0b s LEU 316 Ca 0.18 -0.21 -0.17 0.00 0.69 0.00 0.00 54.13 54.62 3g0b s LEU 316 Cb -0.09 -0.64 0.00 0.00 -0.43 0.00 0.00 46.19 45.02 3g0b s LEU 316 CO 0.09 -0.07 1.21 0.54 -0.29 0.00 0.00 176.35 177.83 3g0b n ARG 317 N 4.41 0.89 -0.19 1.98 1.74 -0.77 0.61 116.66 125.33 3g0b n ARG 317 Ca -0.18 0.36 0.07 0.00 -0.77 0.00 0.00 57.85 57.33 3g0b n ARG 317 Cb 0.51 -2.45 0.35 0.00 -1.02 0.00 0.00 32.46 29.85 3g0b n ARG 317 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3g0b h ARG 318 N 0.23 0.73 -6.28 5.56 2.43 -1.30 -3.09 114.38 112.68 3g0b h ARG 318 Ca -0.50 -0.04 -0.53 0.00 -0.81 0.00 0.00 59.98 58.10 3g0b h ARG 318 Cb 1.34 -0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 30.65 3g0b h ARG 318 CO 0.51 0.49 1.13 0.42 -1.51 0.00 0.00 179.97 181.01 3g0b s ILE 319 N -5.68 3.67 -0.01 1.20 1.09 -1.26 -4.77 121.20 115.44 3g0b s ILE 319 Ca -0.10 0.30 -0.00 0.00 -1.10 0.00 0.00 60.65 59.75 3g0b s ILE 319 Cb 0.19 -4.76 0.01 0.00 -1.06 0.00 0.00 42.46 36.84 3g0b s ILE 319 CO 0.77 -1.70 1.92 0.00 -0.10 0.00 0.00 174.94 175.83 3g0b n GLN 320 N 9.31 1.03 -0.08 2.79 6.02 -1.17 -3.59 117.38 131.69 3g0b n GLN 320 Ca 0.08 -0.05 0.06 0.00 -0.01 0.00 0.00 57.00 57.08 3g0b n GLN 320 Cb 0.50 -1.02 0.10 0.00 1.02 0.00 0.00 30.24 30.83 3g0b n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3g0b n ASN 321 N 1.38 2.44 -3.63 1.08 0.23 -1.26 -0.85 115.26 114.64 3g0b n ASN 321 Ca 0.01 -1.71 -0.22 0.00 -0.53 0.00 0.00 54.58 52.13 3g0b n ASN 321 Cb 0.50 -0.10 -0.17 0.00 -2.08 0.00 0.00 39.78 37.93 3g0b n ASN 321 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3g0b s TYR 322 N -1.03 0.08 0.09 -2.53 5.04 -1.24 -0.81 117.35 116.96 3g0b s TYR 322 Ca 0.19 0.04 0.05 0.00 -2.44 0.00 0.00 57.07 54.91 3g0b s TYR 322 Cb 0.12 -0.55 -0.03 0.00 0.35 0.00 0.00 41.96 41.85 3g0b s TYR 322 CO 0.16 -0.36 -0.12 -1.54 -1.34 0.00 0.00 175.55 172.35 3g0b s SER 323 N 2.18 1.61 -0.03 4.32 1.04 -0.25 -1.85 113.70 120.72 3g0b s SER 323 Ca 0.04 -0.72 0.05 0.00 0.48 0.00 0.00 55.95 55.79 3g0b s SER 323 Cb -0.14 -0.03 -0.01 0.00 0.10 0.00 0.00 66.02 65.95 3g0b s SER 323 CO -0.06 -0.16 -0.17 -0.69 0.98 0.00 0.00 173.24 173.13 3g0b s VAL 324 N -1.87 1.43 -0.23 5.02 1.01 -0.61 -0.99 120.40 124.16 3g0b s VAL 324 Ca 0.02 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 3g0b s VAL 324 Cb -0.06 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 3g0b s VAL 324 CO 0.02 0.41 0.11 -0.32 0.00 0.00 0.00 175.10 175.32 3g0b s MET 325 N -0.10 3.91 -0.18 2.72 1.75 0.13 -0.73 119.30 126.80 3g0b s MET 325 Ca -0.01 -0.36 -0.09 0.00 -1.25 0.00 0.00 55.69 53.99 3g0b s MET 325 Cb -0.10 -3.39 -0.05 0.00 2.84 0.00 0.00 34.83 34.13 3g0b s MET 325 CO 0.01 0.02 0.12 -0.51 -0.65 0.00 0.00 175.02 174.02 3g0b s ASP 326 N 1.10 6.17 -0.27 1.11 -0.00 0.18 -1.50 116.67 123.46 3g0b s ASP 326 Ca 0.06 0.27 -0.06 0.00 -0.00 0.00 0.00 52.55 52.81 3g0b s ASP 326 Cb -0.14 -2.06 -0.00 0.00 -0.00 0.00 0.00 42.92 40.72 3g0b s ASP 326 CO 0.04 0.24 0.05 -0.63 -0.00 0.00 0.00 175.17 174.86 3g0b s ILE 327 N 0.02 3.88 -0.11 0.77 1.09 -1.26 -0.43 121.20 125.16 3g0b s ILE 327 Ca 0.09 -0.54 0.04 0.00 -1.10 0.00 0.00 60.65 59.14 3g0b s ILE 327 Cb -0.11 -2.91 0.00 0.00 -1.06 0.00 0.00 42.46 38.38 3g0b s ILE 327 CO -0.00 0.22 -0.24 0.00 -0.10 0.00 0.00 174.94 174.82 3g0b s ASP 329 N 0.42 4.40 -0.01 0.00 1.11 0.14 -1.09 116.67 121.64 3g0b s ASP 329 Ca -0.17 -0.12 -0.30 0.00 0.18 0.00 0.00 52.55 52.13 3g0b s ASP 329 Cb -0.18 -1.20 -0.05 0.00 1.07 0.00 0.00 42.92 42.56 3g0b s ASP 329 CO 0.07 0.31 1.41 -0.47 1.18 0.00 0.00 175.17 177.67 3g0b s TYR 330 N -0.50 2.80 -0.45 4.23 5.04 -0.41 -0.34 117.35 127.72 3g0b s TYR 330 Ca 0.07 0.79 -0.13 0.00 -2.44 0.00 0.00 57.07 55.37 3g0b s TYR 330 Cb -0.12 -3.67 0.08 0.00 0.35 0.00 0.00 41.96 38.60 3g0b s TYR 330 CO 0.02 -2.48 0.34 0.34 -1.34 0.00 0.00 175.55 172.44 3g0b s ASP 331 N 1.98 5.92 0.35 4.32 -1.08 0.66 -4.96 116.67 123.87 3g0b s ASP 331 Ca 0.64 -1.45 0.12 0.00 -0.52 0.00 0.00 52.55 51.34 3g0b s ASP 331 Cb -0.31 -2.10 0.94 0.00 -1.46 0.00 0.00 42.92 39.99 3g0b s ASP 331 CO 0.26 -0.62 1.78 -0.33 0.52 0.00 0.00 175.17 176.78 3g0b h GLU 332 N 8.61 0.54 0.02 4.34 5.08 -1.95 0.13 114.58 131.36 3g0b h GLU 332 Ca -0.26 -0.03 -0.22 0.00 -1.00 0.00 0.00 59.36 57.84 3g0b h GLU 332 Cb 1.10 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 3g0b h GLU 332 CO 0.84 0.36 -0.97 0.66 -1.00 0.00 0.00 179.01 178.89 3g0b h SER 333 N 0.56 0.41 0.68 1.42 4.64 -1.95 -3.28 113.55 116.02 3g0b h SER 333 Ca 0.58 -0.35 -0.02 0.00 -0.47 0.00 0.00 61.79 61.53 3g0b h SER 333 Cb 1.20 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3g0b h SER 333 CO -0.34 1.17 -1.34 -1.54 -0.87 0.00 0.00 176.83 173.91 3g0b n SER 334 N -3.67 0.60 -0.19 4.97 3.41 -1.06 -4.96 113.62 112.73 3g0b n SER 334 Ca -0.06 0.23 -0.02 0.00 -0.26 0.00 0.00 58.87 58.76 3g0b n SER 334 Cb 0.86 0.87 -0.01 0.00 -0.26 0.00 0.00 64.21 65.67 3g0b n SER 334 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g0b n GLY 335 N 1.23 0.52 3.87 5.00 0.00 0.44 -5.01 105.19 111.23 3g0b n GLY 335 Ca -0.02 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 3g0b n GLY 335 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g0b s ARG 336 N -1.34 2.47 -0.27 1.61 0.52 -1.17 -4.88 118.95 115.89 3g0b s ARG 336 Ca 0.00 -1.61 -0.02 0.00 -0.52 0.00 0.00 55.73 53.59 3g0b s ARG 336 Cb 0.00 -2.32 0.03 0.00 0.52 0.00 0.00 34.95 33.19 3g0b s ARG 336 CO 0.00 -0.23 -0.03 -1.58 0.02 0.00 0.00 175.30 173.48 3g0b s TRP 337 N -2.51 3.14 -0.22 -0.53 0.52 -1.26 -0.24 118.94 117.84 3g0b s TRP 337 Ca 0.47 -1.66 -0.09 0.00 0.02 0.00 0.00 56.10 54.83 3g0b s TRP 337 Cb -0.02 -2.08 -0.04 0.00 -1.15 0.00 0.00 33.47 30.17 3g0b s TRP 337 CO 0.27 -0.75 0.12 -0.80 0.02 0.00 0.00 176.95 175.80 3g0b s ASN 338 N 1.30 5.86 -0.44 2.95 0.01 0.54 -4.82 114.94 120.35 3g0b s ASN 338 Ca -0.02 0.08 -0.05 0.00 -0.71 0.00 0.00 52.86 52.16 3g0b s ASN 338 Cb -0.18 -2.04 0.11 0.00 0.41 0.00 0.00 41.25 39.56 3g0b s ASN 338 CO -0.03 0.10 0.26 0.00 -1.51 0.00 0.00 177.10 175.92 3g0b s LEU 340 N 1.20 4.35 0.58 0.00 2.01 -1.25 -4.88 118.68 120.70 3g0b s LEU 340 Ca 0.08 2.35 0.29 0.00 0.01 0.00 0.00 54.13 56.85 3g0b s LEU 340 Cb -0.24 -3.57 1.77 0.00 0.01 0.00 0.00 46.19 44.16 3g0b s LEU 340 CO -0.03 -0.77 2.24 0.58 1.01 0.00 0.00 176.35 179.38 3g0b h VAL 341 N 4.60 0.56 0.00 -1.59 2.07 -1.98 0.11 116.25 120.02 3g0b h VAL 341 Ca -0.41 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3g0b h VAL 341 Cb 1.20 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3g0b h VAL 341 CO 0.90 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.49 3g0b h ALA 342 N 1.98 1.00 -0.42 1.67 0.00 -1.97 -2.82 119.26 118.69 3g0b h ALA 342 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3g0b h ALA 342 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3g0b h ALA 342 CO -0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 3g0b n ARG 343 N -2.70 2.44 -2.42 0.00 1.74 0.36 -4.72 116.66 111.35 3g0b n ARG 343 Ca 0.02 -2.18 -0.41 0.00 -0.77 0.00 0.00 57.85 54.51 3g0b n ARG 343 Cb 0.32 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.22 3g0b n ARG 343 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3g0b s GLN 344 N -1.45 4.56 -0.14 5.56 -0.21 -1.07 -4.29 119.66 122.63 3g0b s GLN 344 Ca 0.39 1.84 0.02 0.00 0.02 0.00 0.00 55.36 57.63 3g0b s GLN 344 Cb 0.22 -3.22 0.01 0.00 1.00 0.00 0.00 33.01 31.03 3g0b s GLN 344 CO 0.31 0.05 -0.20 -1.01 -2.12 0.00 0.00 175.29 172.32 3g0b s HIS 345 N -0.59 2.53 -0.21 0.91 3.76 -0.56 -4.95 115.29 116.19 3g0b s HIS 345 Ca 0.49 -1.30 -0.12 0.00 -0.15 0.00 0.00 55.06 53.98 3g0b s HIS 345 Cb -0.32 -1.75 -0.05 0.00 1.11 0.00 0.00 32.58 31.57 3g0b s HIS 345 CO 0.39 -0.62 0.21 0.42 -0.85 0.00 0.00 174.74 174.29 3g0b s ILE 346 N 0.94 5.34 -0.20 0.60 1.01 -1.26 0.17 121.20 127.81 3g0b s ILE 346 Ca -0.05 0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.94 3g0b s ILE 346 Cb -0.15 -3.55 0.04 0.00 0.01 0.00 0.00 42.46 38.81 3g0b s ILE 346 CO -0.04 0.37 -0.13 -0.70 0.00 0.00 0.00 174.94 174.44 3g0b s GLU 347 N 0.75 2.34 0.33 2.79 2.12 -0.16 -5.02 118.70 121.86 3g0b s GLU 347 Ca 0.11 -0.94 0.03 0.00 0.36 0.00 0.00 54.97 54.54 3g0b s GLU 347 Cb -0.13 -2.54 -0.06 0.00 0.26 0.00 0.00 34.13 31.66 3g0b s GLU 347 CO 0.03 -0.39 0.07 0.00 -0.54 0.00 0.00 175.26 174.43 3g0b s MET 348 N 1.31 1.68 0.01 4.30 0.23 -1.26 -1.09 119.30 124.48 3g0b s MET 348 Ca -0.01 -1.95 0.01 0.00 -1.03 0.00 0.00 55.69 52.71 3g0b s MET 348 Cb -0.16 -0.77 -0.01 0.00 -1.53 0.00 0.00 34.83 32.36 3g0b s MET 348 CO -0.09 -0.25 -0.04 0.45 -2.03 0.00 0.00 175.02 173.07 3g0b s SER 349 N -3.49 0.37 -0.02 -1.18 0.15 0.01 -4.96 113.70 104.59 3g0b s SER 349 Ca 0.34 -0.26 0.17 0.00 0.70 0.00 0.00 55.95 56.91 3g0b s SER 349 Cb 0.08 0.02 -0.25 0.00 -1.71 0.00 0.00 66.02 64.15 3g0b s SER 349 CO 0.15 -0.10 0.49 0.35 1.20 0.00 0.00 173.24 175.33 3g0b n THR 350 N 2.36 0.00 0.31 6.45 -2.24 -1.26 -4.54 114.28 115.37 3g0b n THR 350 Ca -0.17 -0.31 0.07 0.00 -2.27 0.00 0.00 64.05 61.36 3g0b n THR 350 Cb 0.57 0.37 -0.10 0.00 -2.10 0.00 0.00 70.33 69.07 3g0b n THR 350 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3g0b n THR 351 N -1.90 0.00 -0.74 4.28 -2.24 -1.26 -5.08 114.28 107.34 3g0b n THR 351 Ca -0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3g0b n THR 351 Cb 0.40 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 3g0b n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g0b n GLY 352 N 1.51 2.99 3.99 3.38 0.00 -1.26 -4.79 105.19 111.01 3g0b n GLY 352 Ca -0.00 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 3g0b n GLY 352 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3g0b s TRP 353 N -0.54 1.94 -0.17 1.61 -2.14 -1.26 -4.48 118.94 113.90 3g0b s TRP 353 Ca 0.00 -0.29 -0.08 0.00 2.66 0.00 0.00 56.10 58.39 3g0b s TRP 353 Cb 0.00 -2.77 -0.04 0.00 -3.10 0.00 0.00 33.47 27.55 3g0b s TRP 353 CO 0.00 -1.34 0.10 0.54 -2.66 0.00 0.00 176.95 173.59 3g0b s VAL 354 N -2.93 5.15 0.00 -0.66 0.11 -0.03 -4.71 120.40 117.33 3g0b s VAL 354 Ca 0.63 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.77 3g0b s VAL 354 Cb -0.07 -3.31 0.00 0.00 -1.53 0.00 0.00 36.38 31.47 3g0b s VAL 354 CO 0.41 0.49 0.00 0.61 -3.33 0.00 0.00 175.10 173.29 3g0b n GLY 355 N 3.12 -0.41 0.07 6.54 0.00 -1.26 -3.24 105.19 110.01 3g0b n GLY 355 Ca -0.17 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 43.90 3g0b n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3g0b h ARG 356 N 0.00 -0.00 0.00 1.61 3.08 -1.94 -3.41 114.38 113.72 3g0b h ARG 356 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3g0b h ARG 356 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3g0b h ARG 356 CO 0.00 0.79 -0.39 1.19 -1.07 0.00 0.00 179.97 180.49 3g0b n PHE 357 N -4.71 0.00 -3.54 3.04 3.72 -1.26 -4.84 117.46 109.87 3g0b n PHE 357 Ca -0.09 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.21 3g0b n PHE 357 Cb 0.39 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.89 3g0b n PHE 357 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3g0b s ARG 358 N -1.03 0.69 0.22 -1.08 1.70 -1.25 -5.01 118.95 113.20 3g0b s ARG 358 Ca 0.00 -0.07 -0.29 0.00 -0.47 0.00 0.00 55.73 54.90 3g0b s ARG 358 Cb 0.00 0.32 -0.16 0.00 -0.57 0.00 0.00 34.95 34.54 3g0b s ARG 358 CO 0.00 -0.27 0.71 -2.30 -1.08 0.00 0.00 175.30 172.36 3g0b n PRO 359 N 0.23 0.44 -1.75 3.89 -0.02 -1.20 -4.28 135.00 132.31 3g0b n PRO 359 Ca -0.09 0.15 -0.31 0.00 -2.02 0.00 0.00 63.50 61.23 3g0b n PRO 359 Cb 0.60 -1.30 0.03 0.00 -0.02 0.00 0.00 33.50 32.81 3g0b n PRO 359 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3g0b s SER 360 N -0.80 5.81 0.28 2.55 1.04 -1.26 -4.93 113.70 116.39 3g0b s SER 360 Ca 0.64 1.47 -0.28 0.00 0.48 0.00 0.00 55.95 58.25 3g0b s SER 360 Cb -0.87 -2.43 -0.09 0.00 0.10 0.00 0.00 66.02 62.73 3g0b s SER 360 CO 0.57 -1.15 0.98 -1.83 0.98 0.00 0.00 173.24 172.79 3g0b s GLU 361 N -5.14 4.69 0.51 4.02 1.03 -1.26 -4.92 118.70 117.63 3g0b s GLU 361 Ca 0.57 1.51 -0.19 0.00 0.03 0.00 0.00 54.97 56.88 3g0b s GLU 361 Cb -0.12 -3.08 -0.07 0.00 -0.80 0.00 0.00 34.13 30.06 3g0b s GLU 361 CO 0.54 0.35 1.05 -1.25 -1.33 0.00 0.00 175.26 174.62 3g0b s PRO 362 N -1.56 3.67 -0.27 -4.83 0.04 -1.26 -4.63 135.00 126.15 3g0b s PRO 362 Ca 0.45 1.33 0.03 0.00 0.04 0.00 0.00 61.00 62.86 3g0b s PRO 362 Cb -0.25 -2.08 0.07 0.00 0.04 0.00 0.00 34.50 32.28 3g0b s PRO 362 CO 0.31 -0.54 -0.09 -1.01 0.04 0.00 0.00 177.00 175.71 3g0b s HIS 363 N -2.09 3.33 0.17 0.56 3.76 0.71 -4.93 115.29 116.79 3g0b s HIS 363 Ca 0.67 -2.41 -0.22 0.00 -0.15 0.00 0.00 55.06 52.94 3g0b s HIS 363 Cb -0.17 -2.06 -0.08 0.00 1.11 0.00 0.00 32.58 31.39 3g0b s HIS 363 CO 0.24 -0.89 0.71 -0.06 -0.85 0.00 0.00 174.74 173.90 3g0b s PHE 364 N 1.08 3.78 0.85 1.40 0.40 -1.26 -0.25 117.98 123.97 3g0b s PHE 364 Ca -0.06 1.46 -0.10 0.00 -0.60 0.00 0.00 56.93 57.62 3g0b s PHE 364 Cb -0.20 -2.65 0.10 0.00 0.51 0.00 0.00 43.02 40.78 3g0b s PHE 364 CO -0.05 0.45 1.12 0.95 0.70 0.00 0.00 175.22 178.39 3g0b s THR 365 N -1.30 2.68 0.27 0.64 -4.23 -0.47 -4.87 115.64 108.37 3g0b s THR 365 Ca 0.38 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.11 3g0b s THR 365 Cb -0.20 -2.48 0.28 0.00 1.34 0.00 0.00 72.50 71.45 3g0b s THR 365 CO 0.23 -0.29 1.67 0.25 -0.54 0.00 0.00 174.62 175.94 3g0b h LEU 366 N -1.51 0.10 0.00 4.79 6.46 -1.91 0.12 115.31 123.35 3g0b h LEU 366 Ca -0.43 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 3g0b h LEU 366 Cb 1.25 0.21 0.00 0.00 -0.73 0.00 0.00 40.66 41.39 3g0b h LEU 366 CO 0.46 -0.07 0.00 -0.90 -0.62 0.00 0.00 178.44 177.31 3g0b n ASP 367 N -5.15 0.00 -0.20 1.25 3.85 -1.26 -4.89 116.55 110.15 3g0b n ASP 367 Ca 0.19 0.48 -0.03 0.00 -0.71 0.00 0.00 54.79 54.72 3g0b n ASP 367 Cb 0.60 -0.49 -0.01 0.00 -1.35 0.00 0.00 41.12 39.87 3g0b n ASP 367 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3g0b n GLY 368 N 1.15 0.53 0.10 6.12 0.00 0.40 -4.88 105.19 108.61 3g0b n GLY 368 Ca 0.06 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.00 3g0b n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3g0b n ASN 369 N -0.08 0.83 -3.98 1.61 3.02 -1.26 -4.91 115.26 110.50 3g0b n ASN 369 Ca -0.03 -0.63 -0.09 0.00 -0.03 0.00 0.00 54.58 53.80 3g0b n ASN 369 Cb 0.22 0.35 -0.08 0.00 -0.61 0.00 0.00 39.78 39.66 3g0b n ASN 369 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3g0b s SER 370 N -2.82 0.17 0.10 6.41 0.01 -1.26 -1.13 113.70 115.18 3g0b s SER 370 Ca 0.15 -0.88 -0.16 0.00 1.31 0.00 0.00 55.95 56.37 3g0b s SER 370 Cb 0.18 0.35 0.03 0.00 0.21 0.00 0.00 66.02 66.79 3g0b s SER 370 CO 0.67 -0.77 0.39 0.72 0.41 0.00 0.00 173.24 174.66 3g0b s PHE 371 N -3.94 -0.20 -0.08 2.43 -0.12 -0.51 -1.36 117.98 114.20 3g0b s PHE 371 Ca 0.13 -0.05 0.02 0.00 -0.05 0.00 0.00 56.93 56.98 3g0b s PHE 371 Cb 0.05 0.23 -0.02 0.00 -0.63 0.00 0.00 43.02 42.65 3g0b s PHE 371 CO -0.05 -0.66 -0.14 0.71 -0.05 0.00 0.00 175.22 175.04 3g0b s TYR 372 N -3.46 2.75 -0.05 3.49 2.02 0.66 -0.58 117.35 122.18 3g0b s TYR 372 Ca 0.01 -0.31 -0.23 0.00 -0.37 0.00 0.00 57.07 56.17 3g0b s TYR 372 Cb 0.01 -1.71 0.05 0.00 -0.40 0.00 0.00 41.96 39.92 3g0b s TYR 372 CO -0.09 0.06 0.51 -1.59 -1.57 0.00 0.00 175.55 172.86 3g0b s LYS 373 N -0.37 0.84 0.00 -0.62 -2.85 -0.38 -0.21 119.74 116.16 3g0b s LYS 373 Ca 0.04 0.12 -0.30 0.00 -1.00 0.00 0.00 55.97 54.83 3g0b s LYS 373 Cb -0.12 0.39 -0.05 0.00 -2.06 0.00 0.00 37.83 35.98 3g0b s LYS 373 CO 0.02 -0.24 1.35 0.42 0.10 0.00 0.00 175.35 177.00 3g0b s ILE 374 N -1.08 3.81 0.05 3.79 1.01 -1.26 -1.15 121.20 126.36 3g0b s ILE 374 Ca -0.11 1.20 -0.02 0.00 0.00 0.00 0.00 60.65 61.73 3g0b s ILE 374 Cb -0.03 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 3g0b s ILE 374 CO 0.06 0.01 -0.01 0.27 0.00 0.00 0.00 174.94 175.28 3g0b s ILE 375 N 2.16 0.19 0.18 2.92 -4.36 -0.74 -4.52 121.20 117.02 3g0b s ILE 375 Ca 0.62 -1.55 -0.30 0.00 -0.26 0.00 0.00 60.65 59.16 3g0b s ILE 375 Cb -0.30 -1.24 -0.07 0.00 1.25 0.00 0.00 42.46 42.09 3g0b s ILE 375 CO 0.26 -0.86 1.04 -0.94 0.24 0.00 0.00 174.94 174.68 3g0b s SER 376 N -2.60 7.39 1.00 4.36 1.04 -1.26 -0.87 113.70 122.76 3g0b s SER 376 Ca 0.02 2.00 -0.03 0.00 0.48 0.00 0.00 55.95 58.42 3g0b s SER 376 Cb 0.04 -2.60 0.04 0.00 0.10 0.00 0.00 66.02 63.60 3g0b s SER 376 CO -0.08 -0.12 0.25 -0.46 0.98 0.00 0.00 173.24 173.82 3g0b n ASN 377 N 2.27 -0.04 0.26 7.02 0.23 0.10 -4.83 115.26 120.28 3g0b n ASN 377 Ca 0.02 -1.07 0.14 0.00 -0.53 0.00 0.00 54.58 53.14 3g0b n ASN 377 Cb 0.47 -0.20 0.84 0.00 -2.08 0.00 0.00 39.78 38.81 3g0b n ASN 377 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3g0b h GLU 378 N 0.00 0.00 -0.01 -3.83 9.09 -1.97 -1.32 114.58 116.54 3g0b h GLU 378 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.33 3g0b h GLU 378 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 3g0b h GLU 378 CO 0.06 0.00 -0.06 0.39 0.05 0.00 0.00 179.01 179.45 3g0b n GLU 379 N -4.00 1.48 -0.80 1.06 1.02 -1.26 -4.94 120.64 113.20 3g0b n GLU 379 Ca -0.02 -0.87 0.00 0.00 -0.02 0.00 0.00 57.16 56.25 3g0b n GLU 379 Cb 0.14 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 3g0b n GLU 379 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3g0b n GLY 380 N 1.22 0.59 3.84 0.62 0.00 -0.50 -4.74 105.19 106.23 3g0b n GLY 380 Ca 0.17 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3g0b n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g0b s TYR 381 N -2.00 3.56 -0.24 1.61 1.51 -1.26 0.61 117.35 121.14 3g0b s TYR 381 Ca 0.00 0.50 -0.28 0.00 -1.01 0.00 0.00 57.07 56.28 3g0b s TYR 381 Cb 0.00 -2.00 0.01 0.00 -0.11 0.00 0.00 41.96 39.85 3g0b s TYR 381 CO 0.00 0.63 1.00 1.03 -1.11 0.00 0.00 175.55 177.10 3g0b s ARG 382 N -0.70 4.22 0.10 -0.62 0.52 -1.26 0.00 118.95 121.21 3g0b s ARG 382 Ca 0.14 1.25 -0.03 0.00 -0.52 0.00 0.00 55.73 56.57 3g0b s ARG 382 Cb -0.12 -3.65 -0.03 0.00 0.52 0.00 0.00 34.95 31.67 3g0b s ARG 382 CO 0.03 -0.64 0.06 -1.01 0.02 0.00 0.00 175.30 173.76 3g0b s HIS 383 N 3.18 0.59 -0.15 -0.53 3.76 -0.05 -0.88 115.29 121.22 3g0b s HIS 383 Ca 0.42 -1.04 -0.29 0.00 -0.15 0.00 0.00 55.06 54.00 3g0b s HIS 383 Cb -0.15 -0.35 -0.01 0.00 1.11 0.00 0.00 32.58 33.18 3g0b s HIS 383 CO 0.07 -0.49 1.14 0.42 -0.85 0.00 0.00 174.74 175.04 3g0b s ILE 384 N -3.97 4.47 -0.04 0.60 1.01 -1.26 -1.80 121.20 120.22 3g0b s ILE 384 Ca 0.14 1.78 0.04 0.00 0.00 0.00 0.00 60.65 62.61 3g0b s ILE 384 Cb 0.07 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 3g0b s ILE 384 CO -0.05 -0.09 -0.15 0.00 0.00 0.00 0.00 174.94 174.65 3g0b s TYR 386 N -0.75 3.26 0.08 0.00 6.14 0.67 -1.24 117.35 125.51 3g0b s TYR 386 Ca 0.12 0.07 0.09 0.00 0.64 0.00 0.00 57.07 57.99 3g0b s TYR 386 Cb -0.11 -2.15 -0.03 0.00 0.42 0.00 0.00 41.96 40.09 3g0b s TYR 386 CO 0.01 0.08 -0.24 -0.06 0.64 0.00 0.00 175.55 175.98 3g0b s PHE 387 N 0.70 2.39 -0.12 4.97 0.08 0.25 -1.35 117.98 124.90 3g0b s PHE 387 Ca 0.05 -0.35 -0.06 0.00 0.12 0.00 0.00 56.93 56.68 3g0b s PHE 387 Cb -0.13 -1.35 -0.04 0.00 -0.57 0.00 0.00 43.02 40.93 3g0b s PHE 387 CO 0.02 0.26 0.12 -0.65 -0.10 0.00 0.00 175.22 174.87 3g0b s GLN 388 N -1.67 3.40 0.30 0.44 -0.21 -1.26 -1.43 119.66 119.23 3g0b s GLN 388 Ca 0.14 -0.16 0.05 0.00 0.02 0.00 0.00 55.36 55.41 3g0b s GLN 388 Cb -0.10 -3.15 0.72 0.00 1.00 0.00 0.00 33.01 31.48 3g0b s GLN 388 CO 0.05 0.76 1.78 0.82 -2.12 0.00 0.00 175.29 176.58 3g0b h ILE 389 N 4.02 0.72 -0.00 1.08 5.03 -1.48 -2.00 117.51 124.87 3g0b h ILE 389 Ca -0.54 -0.27 0.00 0.00 -0.12 0.00 0.00 64.86 63.93 3g0b h ILE 389 Cb 1.22 -0.13 0.00 0.00 -3.03 0.00 0.00 36.82 34.89 3g0b h ILE 389 CO 0.58 0.14 -0.06 0.47 -0.68 0.00 0.00 178.15 178.60 3g0b n ASP 390 N -4.76 0.23 -4.34 1.72 9.92 -1.26 -4.49 116.55 113.57 3g0b n ASP 390 Ca 0.23 -0.37 -0.25 0.00 -0.53 0.00 0.00 54.79 53.87 3g0b n ASP 390 Cb 0.55 -0.17 -0.12 0.00 -0.64 0.00 0.00 41.12 40.74 3g0b n ASP 390 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3g0b s LYS 391 N -2.52 1.27 -0.14 -1.24 -0.14 -0.75 -4.94 119.74 111.28 3g0b s LYS 391 Ca 0.29 -1.30 -0.22 0.00 -1.36 0.00 0.00 55.97 53.37 3g0b s LYS 391 Cb 0.20 -1.58 -0.20 0.00 -1.68 0.00 0.00 37.83 34.57 3g0b s LYS 391 CO 0.47 0.36 0.55 -0.22 -0.76 0.00 0.00 175.35 175.75 3g0b h LYS 392 N 3.78 0.00 -6.20 1.68 3.64 -1.92 -3.42 116.57 114.13 3g0b h LYS 392 Ca -0.47 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.36 3g0b h LYS 392 Cb 1.19 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 3g0b h LYS 392 CO 0.42 0.79 0.13 -0.51 -2.27 0.00 0.00 179.45 178.01 3g0b s ASP 393 N -6.13 7.12 0.53 4.20 -0.00 -1.26 -5.01 116.67 116.12 3g0b s ASP 393 Ca -0.16 1.35 0.03 0.00 -0.00 0.00 0.00 52.55 53.76 3g0b s ASP 393 Cb -0.02 -2.44 0.03 0.00 -0.00 0.00 0.00 42.92 40.49 3g0b s ASP 393 CO 0.54 -0.03 0.74 0.00 -0.00 0.00 0.00 175.17 176.42 3g0b s THR 395 N -2.69 2.63 0.22 0.00 -4.23 -0.46 -4.92 115.64 106.19 3g0b s THR 395 Ca 0.57 -0.80 -0.30 0.00 -1.18 0.00 0.00 61.69 59.99 3g0b s THR 395 Cb -0.10 -2.09 -0.08 0.00 1.34 0.00 0.00 72.50 71.57 3g0b s THR 395 CO 0.38 0.53 1.11 -0.36 -0.54 0.00 0.00 174.62 175.74 3g0b s PHE 396 N 0.55 3.57 -0.18 3.99 0.08 -1.26 -0.24 117.98 124.49 3g0b s PHE 396 Ca -0.10 1.62 0.02 0.00 0.12 0.00 0.00 56.93 58.59 3g0b s PHE 396 Cb -0.16 -3.29 -0.01 0.00 -0.57 0.00 0.00 43.02 38.99 3g0b s PHE 396 CO 0.04 -0.64 0.27 0.44 -0.10 0.00 0.00 175.22 175.23 3g0b n ILE 397 N 1.88 0.00 -4.33 0.64 -5.35 0.20 -4.94 119.36 107.46 3g0b n ILE 397 Ca 0.01 -0.47 -0.20 0.00 -0.27 0.00 0.00 62.75 61.83 3g0b n ILE 397 Cb 0.45 1.02 -0.11 0.00 -1.74 0.00 0.00 39.64 39.27 3g0b n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3g0b s THR 398 N -0.85 1.75 0.20 7.28 -4.23 -1.23 -4.79 115.64 113.77 3g0b s THR 398 Ca 0.02 -2.05 -0.19 0.00 -1.18 0.00 0.00 61.69 58.28 3g0b s THR 398 Cb 0.02 -1.92 0.03 0.00 1.34 0.00 0.00 72.50 71.97 3g0b s THR 398 CO 0.07 -0.47 0.57 -1.59 -0.54 0.00 0.00 174.62 172.67 3g0b s LYS 399 N -3.22 1.44 0.00 3.99 -2.85 -1.26 -4.55 119.74 113.30 3g0b s LYS 399 Ca 0.19 -0.82 0.00 0.00 -1.00 0.00 0.00 55.97 54.34 3g0b s LYS 399 Cb -0.03 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.29 3g0b s LYS 399 CO 0.07 -0.63 0.00 0.41 0.10 0.00 0.00 175.35 175.30 3g0b n GLY 400 N -0.37 2.50 2.89 0.59 0.00 -1.26 -4.91 105.19 104.62 3g0b n GLY 400 Ca -0.10 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 3g0b n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g0b n THR 401 N -1.55 4.27 -3.65 2.61 -2.24 -1.26 -4.75 114.28 107.71 3g0b n THR 401 Ca 0.00 -4.30 -0.02 0.00 -2.27 0.00 0.00 64.05 57.46 3g0b n THR 401 Cb 0.00 -2.38 -0.01 0.00 -2.10 0.00 0.00 70.33 65.84 3g0b n THR 401 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 3g0b s TRP 402 N 0.69 -0.10 0.08 4.78 1.48 -1.26 -5.02 118.94 119.59 3g0b s TRP 402 Ca 0.40 -0.06 0.09 0.00 -1.06 0.00 0.00 56.10 55.47 3g0b s TRP 402 Cb 0.09 0.57 -0.03 0.00 -1.16 0.00 0.00 33.47 32.94 3g0b s TRP 402 CO -0.00 -0.46 -0.23 -1.21 -4.06 0.00 0.00 176.95 170.99 3g0b s GLU 403 N -2.75 1.36 0.05 3.25 2.02 -1.26 -4.54 118.70 116.83 3g0b s GLU 403 Ca 0.12 -1.13 -0.31 0.00 0.02 0.00 0.00 54.97 53.68 3g0b s GLU 403 Cb 0.02 -1.61 -0.06 0.00 0.10 0.00 0.00 34.13 32.58 3g0b s GLU 403 CO -0.02 0.39 1.25 0.08 0.02 0.00 0.00 175.26 176.98 3g0b s VAL 404 N -0.98 3.90 -0.14 2.63 1.01 -0.05 -2.28 120.40 124.49 3g0b s VAL 404 Ca 0.09 1.35 -0.20 0.00 0.00 0.00 0.00 61.98 63.22 3g0b s VAL 404 Cb -0.10 -3.86 -0.25 0.00 0.00 0.00 0.00 36.38 32.17 3g0b s VAL 404 CO 0.04 0.08 0.50 0.40 0.00 0.00 0.00 175.10 176.12 3g0b h ILE 405 N 4.58 1.14 -1.77 2.22 1.08 -0.37 -3.45 117.51 120.95 3g0b h ILE 405 Ca -0.40 -2.33 0.02 0.00 -0.39 0.00 0.00 64.86 61.75 3g0b h ILE 405 Cb 1.20 2.70 -0.22 0.00 -3.07 0.00 0.00 36.82 37.44 3g0b h ILE 405 CO 0.84 0.58 0.37 -0.83 -0.69 0.00 0.00 178.15 178.42 3g0b s GLY 406 N -4.80 -0.39 -0.05 5.37 0.00 -1.09 -5.00 107.32 101.36 3g0b s GLY 406 Ca -0.22 1.84 -0.30 0.00 0.00 0.00 0.00 44.72 46.04 3g0b s GLY 406 CO 0.71 1.15 1.00 -0.42 0.00 0.00 0.00 173.10 175.54 3g0b s ILE 407 N -0.86 4.79 -0.18 0.90 1.01 -1.26 -1.13 121.20 124.47 3g0b s ILE 407 Ca -0.05 2.02 0.01 0.00 0.00 0.00 0.00 60.65 62.64 3g0b s ILE 407 Cb -0.01 -4.30 -0.11 0.00 0.01 0.00 0.00 42.46 38.05 3g0b s ILE 407 CO 0.04 0.08 -0.16 -0.62 0.00 0.00 0.00 174.94 174.29 3g0b n GLU 408 N 4.44 0.44 -3.72 2.79 -0.58 0.77 -4.97 120.64 119.81 3g0b n GLU 408 Ca 0.07 0.10 -0.14 0.00 -0.42 0.00 0.00 57.16 56.78 3g0b n GLU 408 Cb 0.50 -1.35 -0.09 0.00 -0.57 0.00 0.00 31.44 29.93 3g0b n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3g0b s ALA 409 N -2.35 -1.03 -0.14 0.62 0.00 -1.02 -4.92 121.76 112.92 3g0b s ALA 409 Ca -0.24 0.90 0.01 0.00 0.00 0.00 0.00 51.96 52.64 3g0b s ALA 409 Cb 0.06 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.85 3g0b s ALA 409 CO 0.40 -0.24 -0.18 -1.17 0.00 0.00 0.00 175.76 174.58 3g0b s LEU 410 N -0.47 1.91 0.00 0.00 0.20 -1.26 0.15 118.68 119.20 3g0b s LEU 410 Ca -0.06 -0.54 0.00 0.00 0.69 0.00 0.00 54.13 54.22 3g0b s LEU 410 Cb -0.03 -1.30 0.00 0.00 -0.43 0.00 0.00 46.19 44.43 3g0b s LEU 410 CO 0.03 0.02 0.00 0.35 -0.29 0.00 0.00 176.35 176.45 3g0b n THR 411 N 4.38 0.00 0.21 3.68 -2.24 0.73 -5.00 114.28 116.04 3g0b n THR 411 Ca -0.19 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.70 3g0b n THR 411 Cb 0.51 -0.46 0.22 0.00 -2.10 0.00 0.00 70.33 68.50 3g0b n THR 411 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3g0b h SER 412 N 0.00 0.00 0.00 3.42 4.64 -2.00 -3.37 113.55 116.24 3g0b h SER 412 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 3g0b h SER 412 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 3g0b h SER 412 CO 0.00 0.11 -1.77 0.47 -0.87 0.00 0.00 176.83 174.76 3g0b n ASP 413 N -3.14 1.95 -3.82 4.97 8.00 -1.26 -4.88 116.55 118.38 3g0b n ASP 413 Ca 0.03 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.41 3g0b n ASP 413 Cb 0.54 1.06 -0.13 0.00 -0.02 0.00 0.00 41.12 42.57 3g0b n ASP 413 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3g0b s TYR 414 N -2.50 -0.15 -0.25 1.24 1.51 -1.26 -0.62 117.35 115.33 3g0b s TYR 414 Ca -0.06 0.38 -0.09 0.00 -1.01 0.00 0.00 57.07 56.29 3g0b s TYR 414 Cb 0.05 0.04 -0.04 0.00 -0.11 0.00 0.00 41.96 41.90 3g0b s TYR 414 CO 0.52 -0.08 0.13 -1.17 -1.11 0.00 0.00 175.55 173.84 3g0b s LEU 415 N 0.16 3.86 -0.16 -1.29 1.98 -0.89 -0.20 118.68 122.13 3g0b s LEU 415 Ca -0.01 -0.02 -0.08 0.00 -2.89 0.00 0.00 54.13 51.13 3g0b s LEU 415 Cb -0.02 -2.04 -0.04 0.00 0.66 0.00 0.00 46.19 44.75 3g0b s LEU 415 CO -0.00 0.01 0.12 -0.31 -1.89 0.00 0.00 176.35 174.28 3g0b s TYR 416 N 1.35 3.43 0.06 5.38 2.02 0.12 -0.00 117.35 129.71 3g0b s TYR 416 Ca 0.06 0.35 -0.06 0.00 -0.37 0.00 0.00 57.07 57.05 3g0b s TYR 416 Cb -0.15 -2.05 -0.01 0.00 -0.40 0.00 0.00 41.96 39.35 3g0b s TYR 416 CO 0.06 0.43 0.10 1.52 -1.57 0.00 0.00 175.55 176.08 3g0b s TYR 417 N -0.16 0.25 -0.16 2.71 -0.85 0.10 -0.16 117.35 119.08 3g0b s TYR 417 Ca 0.10 -0.64 -0.08 0.00 -0.52 0.00 0.00 57.07 55.92 3g0b s TYR 417 Cb -0.12 -0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.01 3g0b s TYR 417 CO 0.01 -0.42 0.12 0.42 -1.52 0.00 0.00 175.55 174.15 3g0b s ILE 418 N -3.26 5.33 0.23 -3.49 -1.09 -0.28 -0.46 121.20 118.18 3g0b s ILE 418 Ca 0.01 0.15 -0.02 0.00 -2.23 0.00 0.00 60.65 58.56 3g0b s ILE 418 Cb 0.03 -3.38 -0.03 0.00 -1.58 0.00 0.00 42.46 37.50 3g0b s ILE 418 CO -0.08 0.52 0.23 -0.94 -1.23 0.00 0.00 174.94 173.44 3g0b s SER 419 N -0.22 0.32 -0.34 3.58 1.04 -0.86 0.42 113.70 117.64 3g0b s SER 419 Ca 0.10 -1.36 0.09 0.00 0.48 0.00 0.00 55.95 55.26 3g0b s SER 419 Cb -0.12 0.45 0.70 0.00 0.10 0.00 0.00 66.02 67.16 3g0b s SER 419 CO 0.01 -0.94 1.79 -0.46 0.98 0.00 0.00 173.24 174.61 3g0b n ASN 420 N -0.50 4.34 -0.33 7.02 0.23 -0.96 -1.65 115.26 123.42 3g0b n ASN 420 Ca 0.02 -3.35 -0.04 0.00 -0.53 0.00 0.00 54.58 50.68 3g0b n ASN 420 Cb 0.65 -0.75 0.08 0.00 -2.08 0.00 0.00 39.78 37.68 3g0b n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3g0b h GLU 421 N 2.10 1.25 -6.54 -3.83 4.81 -1.84 -3.32 114.58 107.22 3g0b h GLU 421 Ca 0.33 -0.16 -0.53 0.00 -0.13 0.00 0.00 59.36 58.88 3g0b h GLU 421 Cb 2.36 -0.24 0.04 0.00 0.63 0.00 0.00 28.75 31.54 3g0b h GLU 421 CO 0.77 0.93 1.07 -0.47 -0.73 0.00 0.00 179.01 180.57 3g0b s TYR 422 N -5.80 2.37 -1.80 0.92 6.14 -1.26 -2.16 117.35 115.75 3g0b s TYR 422 Ca -0.13 0.12 0.00 0.00 0.64 0.00 0.00 57.07 57.70 3g0b s TYR 422 Cb 0.17 -4.13 0.00 0.00 0.42 0.00 0.00 41.96 38.41 3g0b s TYR 422 CO 0.83 -4.57 0.00 1.63 0.64 0.00 0.00 175.55 174.08 3g0b n LYS 423 N 5.26 -1.52 -1.97 4.97 5.02 -1.26 -2.46 118.16 126.20 3g0b n LYS 423 Ca 0.17 1.01 -0.18 0.00 -2.02 0.00 0.00 58.31 57.29 3g0b n LYS 423 Cb 0.38 -5.42 -0.04 0.00 -0.02 0.00 0.00 35.03 29.92 3g0b n LYS 423 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3g0b n GLY 424 N -0.50 0.60 3.47 0.72 0.00 -0.92 -4.94 105.19 103.63 3g0b n GLY 424 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 3g0b n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3g0b s MET 425 N -4.29 3.16 0.53 1.61 -1.94 -1.03 -4.92 119.30 112.43 3g0b s MET 425 Ca 0.00 -0.72 0.36 0.00 -1.71 0.00 0.00 55.69 53.61 3g0b s MET 425 Cb 0.00 -4.03 1.84 0.00 2.01 0.00 0.00 34.83 34.64 3g0b s MET 425 CO 0.00 -1.10 2.09 -1.35 -0.01 0.00 0.00 175.02 174.64 3g0b h PRO 426 N 8.92 0.00 -0.66 2.03 0.11 -1.89 -2.20 132.00 138.30 3g0b h PRO 426 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3g0b h PRO 426 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3g0b h PRO 426 CO 0.92 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.12 3g0b n GLY 427 N -0.84 2.16 3.90 -0.55 0.00 -1.26 -4.86 105.19 103.74 3g0b n GLY 427 Ca -0.02 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 3g0b n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g0b s GLY 428 N -1.04 1.47 -0.03 -0.02 0.00 -0.83 -2.30 107.32 104.57 3g0b s GLY 428 Ca 0.45 -1.23 -0.00 0.00 0.00 0.00 0.00 44.72 43.94 3g0b s GLY 428 CO 0.31 -1.25 0.02 0.50 0.00 0.00 0.00 173.10 172.69 3g0b s ARG 429 N -3.61 0.15 0.08 2.90 1.81 0.21 -4.03 118.95 116.46 3g0b s ARG 429 Ca 0.33 0.17 0.02 0.00 -1.72 0.00 0.00 55.73 54.53 3g0b s ARG 429 Cb -0.09 -0.45 -0.04 0.00 -0.45 0.00 0.00 34.95 33.91 3g0b s ARG 429 CO 0.27 -0.20 -0.07 -0.80 -0.68 0.00 0.00 175.30 173.82 3g0b s ASN 430 N 1.33 1.05 -0.07 0.23 -0.87 -0.66 -0.53 114.94 115.42 3g0b s ASN 430 Ca -0.06 -0.88 -0.19 0.00 -1.57 0.00 0.00 52.86 50.17 3g0b s ASN 430 Cb -0.13 0.08 -0.05 0.00 -0.02 0.00 0.00 41.25 41.13 3g0b s ASN 430 CO -0.03 -0.39 0.51 -0.22 -2.57 0.00 0.00 177.10 174.40 3g0b s LEU 431 N -2.62 4.34 0.11 0.60 2.96 -1.26 -2.04 118.68 120.77 3g0b s LEU 431 Ca 0.05 0.94 0.06 0.00 -0.22 0.00 0.00 54.13 54.97 3g0b s LEU 431 Cb 0.01 -2.76 -0.04 0.00 0.50 0.00 0.00 46.19 43.90 3g0b s LEU 431 CO -0.03 0.05 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.59 3g0b s TYR 432 N 0.25 1.40 -0.04 5.38 2.02 0.39 -0.31 117.35 126.44 3g0b s TYR 432 Ca 0.28 -0.53 0.04 0.00 -0.37 0.00 0.00 57.07 56.49 3g0b s TYR 432 Cb -0.16 -0.74 -0.00 0.00 -0.40 0.00 0.00 41.96 40.65 3g0b s TYR 432 CO 0.13 0.14 -0.15 -1.59 -1.57 0.00 0.00 175.55 172.50 3g0b s LYS 433 N -2.46 1.63 -0.24 -0.62 -2.85 -0.34 -0.72 119.74 114.14 3g0b s LYS 433 Ca 0.07 -0.55 -0.12 0.00 -1.00 0.00 0.00 55.97 54.37 3g0b s LYS 433 Cb -0.06 -1.43 -0.05 0.00 -2.06 0.00 0.00 37.83 34.24 3g0b s LYS 433 CO 0.03 0.21 0.24 0.42 0.10 0.00 0.00 175.35 176.35 3g0b s ILE 434 N 0.09 5.30 -0.35 3.79 1.01 0.99 -1.69 121.20 130.35 3g0b s ILE 434 Ca -0.04 0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.66 3g0b s ILE 434 Cb -0.11 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 3g0b s ILE 434 CO 0.02 0.29 1.65 -1.58 0.00 0.00 0.00 174.94 175.32 3g0b s GLN 435 N 1.33 3.46 0.51 2.79 0.74 -0.58 -2.10 119.66 125.81 3g0b s GLN 435 Ca 0.11 1.28 0.16 0.00 0.05 0.00 0.00 55.36 56.95 3g0b s GLN 435 Cb -0.14 -4.12 1.24 0.00 1.10 0.00 0.00 33.01 31.08 3g0b s GLN 435 CO 0.07 -1.71 2.13 -0.07 -0.55 0.00 0.00 175.29 175.17 3g0b h LEU 436 N 12.99 0.01 -1.54 3.68 4.07 -1.20 -1.09 115.31 132.23 3g0b h LEU 436 Ca -0.32 -0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.61 3g0b h LEU 436 Cb 1.15 -0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.88 3g0b h LEU 436 CO 1.05 0.02 -0.17 0.77 -1.08 0.00 0.00 178.44 179.04 3g0b h SER 437 N 0.01 0.00 -1.33 -0.43 4.64 -1.90 -3.39 113.55 111.15 3g0b h SER 437 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.20 3g0b h SER 437 Cb 0.03 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 61.88 3g0b h SER 437 CO 0.00 0.17 -0.50 -0.62 -0.87 0.00 0.00 176.83 175.01 3g0b s ASP 438 N -6.13 -0.64 0.48 4.97 3.68 -0.45 -5.04 116.67 113.53 3g0b s ASP 438 Ca -0.01 -0.64 0.32 0.00 2.13 0.00 0.00 52.55 54.35 3g0b s ASP 438 Cb 0.12 1.53 1.69 0.00 -1.45 0.00 0.00 42.92 44.81 3g0b s ASP 438 CO 0.60 -0.25 1.98 0.10 0.13 0.00 0.00 175.17 177.73 3g0b h TYR 439 N 7.48 0.00 0.00 -5.34 -0.00 -1.66 0.36 116.97 117.80 3g0b h TYR 439 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.74 3g0b h TYR 439 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.88 3g0b h TYR 439 CO 0.23 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 178.64 3g0b n THR 440 N -2.66 0.77 -2.98 -0.90 -2.24 -1.26 -4.45 114.28 100.56 3g0b n THR 440 Ca -0.02 0.12 -0.43 0.00 -2.27 0.00 0.00 64.05 61.46 3g0b n THR 440 Cb 0.09 -1.02 -0.05 0.00 -2.10 0.00 0.00 70.33 67.24 3g0b n THR 440 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3g0b s LYS 441 N -3.25 3.28 -0.07 -0.78 -0.14 0.12 -5.02 119.74 113.88 3g0b s LYS 441 Ca 0.06 -0.42 0.02 0.00 -1.36 0.00 0.00 55.97 54.27 3g0b s LYS 441 Cb 0.10 -4.03 0.02 0.00 -1.68 0.00 0.00 37.83 32.24 3g0b s LYS 441 CO 0.43 -1.28 -0.10 0.08 -0.76 0.00 0.00 175.35 173.72 3g0b s VAL 442 N 3.31 0.97 -0.12 3.17 1.01 -1.26 -1.53 120.40 125.95 3g0b s VAL 442 Ca 0.25 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 3g0b s VAL 442 Cb -0.14 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 3g0b s VAL 442 CO 0.18 0.32 -0.05 -0.89 0.00 0.00 0.00 175.10 174.66 3g0b s THR 443 N 0.85 3.82 -0.30 3.92 2.01 -0.68 -4.95 115.64 120.30 3g0b s THR 443 Ca -0.11 -0.40 -0.25 0.00 0.31 0.00 0.00 61.69 61.23 3g0b s THR 443 Cb -0.15 -2.63 0.00 0.00 0.01 0.00 0.00 72.50 69.73 3g0b s THR 443 CO 0.01 0.54 0.85 0.00 -0.69 0.00 0.00 174.62 175.34 3g0b h LEU 445 N 9.56 0.00 0.00 0.00 3.38 -1.02 -3.39 115.31 123.84 3g0b h LEU 445 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3g0b h LEU 445 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3g0b h LEU 445 CO 0.91 0.08 -0.57 -1.54 0.09 0.00 0.00 178.44 177.42 3g0b n SER 446 N -2.88 2.73 -0.36 -0.43 3.41 -1.21 -4.78 113.62 110.10 3g0b n SER 446 Ca 0.01 -0.23 0.03 0.00 -0.26 0.00 0.00 58.87 58.42 3g0b n SER 446 Cb 0.58 1.01 0.19 0.00 -0.26 0.00 0.00 64.21 65.72 3g0b n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g0b n GLU 448 N -4.54 1.44 -0.17 0.00 -0.58 -1.26 -4.24 120.64 111.30 3g0b n GLU 448 Ca 0.16 -1.47 -0.08 0.00 -0.42 0.00 0.00 57.16 55.36 3g0b n GLU 448 Cb 0.22 -1.21 0.01 0.00 -0.57 0.00 0.00 31.44 29.90 3g0b n GLU 448 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3g0b h LEU 449 N 1.83 0.63 -5.00 -4.62 3.38 -1.84 -3.38 115.31 106.31 3g0b h LEU 449 Ca 0.00 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.70 3g0b h LEU 449 Cb 0.53 -0.16 -0.15 0.00 0.09 0.00 0.00 40.66 40.97 3g0b h LEU 449 CO 0.00 0.55 -0.47 -3.20 0.09 0.00 0.00 178.44 175.41 3g0b n ASN 450 N -4.65 -3.13 0.02 -0.43 2.85 -1.26 -5.06 115.26 103.60 3g0b n ASN 450 Ca 0.02 -3.00 0.05 0.00 -0.11 0.00 0.00 54.58 51.54 3g0b n ASN 450 Cb 0.09 1.74 0.45 0.00 1.24 0.00 0.00 39.78 43.30 3g0b n ASN 450 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3g0b h PRO 451 N 4.53 0.48 0.10 1.20 0.13 -1.75 0.35 132.00 137.04 3g0b h PRO 451 Ca -0.03 -0.03 -0.29 0.00 -0.87 0.00 0.00 66.00 64.78 3g0b h PRO 451 Cb 1.08 -0.11 0.03 0.00 0.13 0.00 0.00 31.00 32.13 3g0b h PRO 451 CO 0.13 0.32 -1.20 0.93 -0.23 0.00 0.00 178.00 177.95 3g0b h GLU 452 N 0.50 0.62 0.00 0.86 5.08 -1.97 -3.34 114.58 116.33 3g0b h GLU 452 Ca 0.14 -0.80 -0.15 0.00 -1.00 0.00 0.00 59.36 57.55 3g0b h GLU 452 Cb -0.04 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3g0b h GLU 452 CO -0.03 1.36 -1.19 -0.09 -1.00 0.00 0.00 179.01 178.06 3g0b h ARG 453 N 0.29 0.00 -3.55 2.33 9.65 -1.86 -3.41 114.38 117.83 3g0b h ARG 453 Ca -0.17 0.00 -0.51 0.00 -1.10 0.00 0.00 59.98 58.20 3g0b h ARG 453 Cb 1.87 0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 30.05 3g0b h ARG 453 CO 0.23 0.34 -0.76 0.00 2.80 0.00 0.00 179.97 182.57 3g0b n GLN 455 N 5.07 0.02 -3.80 0.00 6.02 0.15 -4.30 117.38 120.54 3g0b n GLN 455 Ca -0.09 -0.21 -0.29 0.00 -0.01 0.00 0.00 57.00 56.40 3g0b n GLN 455 Cb 0.48 -0.52 -0.16 0.00 1.02 0.00 0.00 30.24 31.05 3g0b n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3g0b s TYR 456 N -0.02 1.57 0.04 1.08 6.14 -0.87 -0.62 117.35 124.67 3g0b s TYR 456 Ca 0.00 -1.29 0.08 0.00 0.64 0.00 0.00 57.07 56.50 3g0b s TYR 456 Cb 0.00 -1.32 -0.03 0.00 0.42 0.00 0.00 41.96 41.03 3g0b s TYR 456 CO 0.00 -0.71 -0.24 0.71 0.64 0.00 0.00 175.55 175.96 3g0b s TYR 457 N 1.67 2.40 0.31 4.97 2.02 0.31 -0.87 117.35 128.16 3g0b s TYR 457 Ca -0.00 -0.36 0.07 0.00 -0.37 0.00 0.00 57.07 56.41 3g0b s TYR 457 Cb -0.18 -1.42 -0.06 0.00 -0.40 0.00 0.00 41.96 39.90 3g0b s TYR 457 CO -0.10 0.16 -0.06 -1.54 -1.57 0.00 0.00 175.55 172.44 3g0b s SER 458 N -1.26 3.08 0.05 2.29 1.04 0.31 -4.57 113.70 114.64 3g0b s SER 458 Ca 0.12 -1.21 0.02 0.00 0.48 0.00 0.00 55.95 55.37 3g0b s SER 458 Cb -0.10 -0.23 -0.03 0.00 0.10 0.00 0.00 66.02 65.76 3g0b s SER 458 CO 0.03 -0.32 -0.08 0.54 0.98 0.00 0.00 173.24 174.39 3g0b s VAL 459 N -2.89 0.62 -0.23 5.02 0.11 -1.26 -0.68 120.40 121.08 3g0b s VAL 459 Ca 0.31 -1.24 -0.02 0.00 -2.93 0.00 0.00 61.98 58.10 3g0b s VAL 459 Cb 0.04 -0.82 0.07 0.00 -1.53 0.00 0.00 36.38 34.14 3g0b s VAL 459 CO 0.14 -0.45 0.04 -0.55 -3.33 0.00 0.00 175.10 170.95 3g0b s SER 460 N -1.83 3.30 0.19 3.54 0.15 -0.08 -4.98 113.70 113.99 3g0b s SER 460 Ca -0.06 -1.06 -0.19 0.00 0.70 0.00 0.00 55.95 55.34 3g0b s SER 460 Cb -0.08 -0.73 -0.08 0.00 -1.71 0.00 0.00 66.02 63.43 3g0b s SER 460 CO -0.00 -0.32 0.69 -0.36 1.20 0.00 0.00 173.24 174.44 3g0b s PHE 461 N 1.75 3.69 1.23 3.44 0.40 -1.26 -1.12 117.98 126.10 3g0b s PHE 461 Ca 0.01 1.35 -0.17 0.00 -0.60 0.00 0.00 56.93 57.53 3g0b s PHE 461 Cb -0.17 -2.58 0.30 0.00 0.51 0.00 0.00 43.02 41.07 3g0b s PHE 461 CO -0.12 0.40 1.02 -1.54 0.70 0.00 0.00 175.22 175.68 3g0b s SER 462 N -1.55 0.57 0.29 1.36 1.04 0.30 -4.80 113.70 110.91 3g0b s SER 462 Ca 0.40 1.11 0.04 0.00 0.48 0.00 0.00 55.95 57.98 3g0b s SER 462 Cb -0.17 -1.68 0.70 0.00 0.10 0.00 0.00 66.02 64.97 3g0b s SER 462 CO 0.21 -4.40 1.74 0.50 0.98 0.00 0.00 173.24 172.27 3g0b h LYS 463 N -2.76 0.57 -0.14 4.02 3.64 -1.72 -0.27 116.57 119.91 3g0b h LYS 463 Ca -0.53 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.77 3g0b h LYS 463 Cb 1.33 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 3g0b h LYS 463 CO 0.43 0.37 -0.16 -1.91 -2.27 0.00 0.00 179.45 175.92 3g0b n GLU 464 N -4.90 1.80 -1.95 1.90 4.07 -1.26 -4.97 120.64 115.33 3g0b n GLU 464 Ca 0.22 -2.99 -0.21 0.00 -0.06 0.00 0.00 57.16 54.12 3g0b n GLU 464 Cb 0.59 -1.68 -0.05 0.00 -0.06 0.00 0.00 31.44 30.24 3g0b n GLU 464 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3g0b n ALA 465 N -1.11 -0.45 0.07 4.31 0.00 -0.11 -4.88 120.51 118.34 3g0b n ALA 465 Ca 0.22 0.26 -0.04 0.00 0.00 0.00 0.00 53.44 53.88 3g0b n ALA 465 Cb 0.80 -2.10 0.16 0.00 0.00 0.00 0.00 19.45 18.31 3g0b n ALA 465 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3g0b h LYS 466 N 0.00 0.32 -5.19 0.00 3.64 -1.80 -3.41 116.57 110.13 3g0b h LYS 466 Ca -0.45 -0.17 -0.37 0.00 -1.27 0.00 0.00 60.65 58.38 3g0b h LYS 466 Cb 1.35 0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 33.04 3g0b h LYS 466 CO 0.60 0.73 -0.70 0.71 -2.27 0.00 0.00 179.45 178.52 3g0b s TYR 467 N -4.04 1.46 -0.05 1.91 1.51 -1.26 -0.91 117.35 115.98 3g0b s TYR 467 Ca -0.05 -0.76 -0.13 0.00 -1.01 0.00 0.00 57.07 55.12 3g0b s TYR 467 Cb 0.13 -0.77 0.02 0.00 -0.11 0.00 0.00 41.96 41.23 3g0b s TYR 467 CO 0.79 0.11 0.30 1.52 -1.11 0.00 0.00 175.55 177.16 3g0b s TYR 468 N -3.27 -0.23 -0.21 2.71 1.13 -0.58 -0.54 117.35 116.36 3g0b s TYR 468 Ca 0.22 0.46 -0.11 0.00 -1.41 0.00 0.00 57.07 56.23 3g0b s TYR 468 Cb 0.03 0.09 -0.05 0.00 -1.10 0.00 0.00 41.96 40.93 3g0b s TYR 468 CO 0.04 -0.29 0.18 -1.14 -2.51 0.00 0.00 175.55 171.84 3g0b s GLN 469 N -0.73 4.14 -0.18 -3.49 0.74 -0.28 -0.72 119.66 119.15 3g0b s GLN 469 Ca -0.08 -0.18 -0.16 0.00 0.05 0.00 0.00 55.36 55.00 3g0b s GLN 469 Cb -0.04 -3.48 -0.04 0.00 1.10 0.00 0.00 33.01 30.54 3g0b s GLN 469 CO 0.02 0.16 0.38 -0.51 -0.55 0.00 0.00 175.29 174.79 3g0b s LEU 470 N 0.76 4.19 -0.31 3.68 1.02 0.24 -0.90 118.68 127.36 3g0b s LEU 470 Ca 0.10 0.54 -0.08 0.00 0.02 0.00 0.00 54.13 54.70 3g0b s LEU 470 Cb -0.13 -2.49 0.01 0.00 0.02 0.00 0.00 46.19 43.60 3g0b s LEU 470 CO 0.02 -0.02 0.11 -0.60 0.02 0.00 0.00 176.35 175.88 3g0b s ARG 471 N 1.03 3.13 -0.28 1.70 3.52 0.14 -1.39 118.95 126.80 3g0b s ARG 471 Ca 0.19 -0.84 -0.10 0.00 -0.13 0.00 0.00 55.73 54.85 3g0b s ARG 471 Cb -0.14 -3.46 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 3g0b s ARG 471 CO 0.07 -0.46 0.15 0.00 -0.81 0.00 0.00 175.30 174.25 3g0b n SER 473 N 5.01 2.98 0.00 0.00 7.64 -0.05 -1.46 113.62 127.73 3g0b n SER 473 Ca -0.15 -1.91 0.00 0.00 1.01 0.00 0.00 58.87 57.82 3g0b n SER 473 Cb 0.51 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 3g0b n SER 473 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3g0b n GLY 474 N 1.25 -0.55 0.25 0.23 0.00 -1.25 -0.04 105.19 105.09 3g0b n GLY 474 Ca 0.14 -1.30 0.13 0.00 0.00 0.00 0.00 46.02 44.99 3g0b n GLY 474 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g0b h PRO 475 N 0.00 0.00 0.00 1.61 0.13 -0.79 0.43 132.00 133.38 3g0b h PRO 475 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.91 3g0b h PRO 475 Cb 0.00 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.22 3g0b h PRO 475 CO 0.00 0.14 0.21 0.41 -0.23 0.00 0.00 178.00 178.53 3g0b n GLY 476 N -0.01 -1.30 3.75 1.56 0.00 0.11 -4.32 105.19 104.98 3g0b n GLY 476 Ca -0.00 -1.69 -0.39 0.00 0.00 0.00 0.00 46.02 43.93 3g0b n GLY 476 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g0b n LEU 477 N 0.00 5.25 -4.67 0.99 4.77 -1.26 -4.55 117.00 117.53 3g0b n LEU 477 Ca 0.08 1.07 -0.39 0.00 -0.03 0.00 0.00 56.01 56.74 3g0b n LEU 477 Cb 0.29 -1.59 0.04 0.00 -2.33 0.00 0.00 43.42 39.83 3g0b n LEU 477 CO 0.21 -0.32 0.76 -2.65 -1.33 0.00 0.00 177.39 174.06 3g0b n PRO 478 N -0.49 1.42 -3.92 3.23 -0.02 -1.26 -4.78 135.00 129.17 3g0b n PRO 478 Ca 0.07 0.52 -0.22 0.00 -2.02 0.00 0.00 63.50 61.86 3g0b n PRO 478 Cb 0.43 -2.33 -0.17 0.00 -0.02 0.00 0.00 33.50 31.41 3g0b n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3g0b s LEU 479 N -2.23 0.92 -0.18 2.45 2.96 -0.54 -4.17 118.68 117.89 3g0b s LEU 479 Ca 0.70 -0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 54.48 3g0b s LEU 479 Cb -0.45 -0.45 -0.01 0.00 0.50 0.00 0.00 46.19 45.77 3g0b s LEU 479 CO 0.51 -0.14 -0.07 -0.31 -1.32 0.00 0.00 176.35 175.02 3g0b s TYR 480 N 1.53 2.92 0.06 5.38 2.02 0.74 -0.77 117.35 129.23 3g0b s TYR 480 Ca -0.02 -0.72 0.03 0.00 -0.37 0.00 0.00 57.07 55.99 3g0b s TYR 480 Cb -0.13 -1.99 -0.03 0.00 -0.40 0.00 0.00 41.96 39.41 3g0b s TYR 480 CO -0.03 -0.34 -0.09 0.95 -1.57 0.00 0.00 175.55 174.47 3g0b s THR 481 N 0.88 0.74 -0.02 -0.71 -4.23 -0.49 -0.41 115.64 111.40 3g0b s THR 481 Ca -0.02 -1.31 0.03 0.00 -1.18 0.00 0.00 61.69 59.22 3g0b s THR 481 Cb -0.15 -0.94 -0.03 0.00 1.34 0.00 0.00 72.50 72.72 3g0b s THR 481 CO 0.01 -0.43 -0.10 -0.22 -0.54 0.00 0.00 174.62 173.33 3g0b s LEU 482 N -1.91 2.97 0.04 4.79 0.20 0.17 -0.59 118.68 124.36 3g0b s LEU 482 Ca -0.04 -0.17 -0.05 0.00 0.69 0.00 0.00 54.13 54.56 3g0b s LEU 482 Cb -0.07 -1.68 -0.01 0.00 -0.43 0.00 0.00 46.19 44.00 3g0b s LEU 482 CO 0.00 0.31 0.09 -1.00 -0.29 0.00 0.00 176.35 175.46 3g0b s HIS 483 N -0.88 0.22 -0.13 5.38 3.76 0.11 -0.10 115.29 123.66 3g0b s HIS 483 Ca 0.14 -0.55 -0.05 0.00 -0.15 0.00 0.00 55.06 54.45 3g0b s HIS 483 Cb -0.11 -0.16 -0.04 0.00 1.11 0.00 0.00 32.58 33.39 3g0b s HIS 483 CO 0.04 -0.37 0.06 -1.54 -0.85 0.00 0.00 174.74 172.08 3g0b s SER 484 N -2.18 5.67 0.46 1.40 1.04 -1.02 -1.52 113.70 117.54 3g0b s SER 484 Ca -0.04 0.20 0.26 0.00 0.48 0.00 0.00 55.95 56.85 3g0b s SER 484 Cb -0.01 -1.80 0.92 0.00 0.10 0.00 0.00 66.02 65.24 3g0b s SER 484 CO -0.05 0.31 1.82 0.28 0.98 0.00 0.00 173.24 176.59 3g0b h SER 485 N 5.65 0.00 -0.15 7.02 0.02 -1.26 0.32 113.55 125.15 3g0b h SER 485 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3g0b h SER 485 Cb 1.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 3g0b h SER 485 CO 0.61 0.17 0.10 0.58 -1.14 0.00 0.00 176.83 177.15 3g0b h VAL 486 N 0.00 1.03 -0.00 2.27 2.07 -1.90 -3.34 116.25 116.38 3g0b h VAL 486 Ca -0.00 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3g0b h VAL 486 Cb 0.75 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3g0b h VAL 486 CO 0.02 0.04 -0.06 0.59 0.02 0.00 0.00 177.57 178.18 3g0b n ASN 487 N -4.99 0.13 -2.24 0.57 5.03 -1.24 -4.99 115.26 107.54 3g0b n ASN 487 Ca -0.04 -0.57 -0.19 0.00 0.87 0.00 0.00 54.58 54.66 3g0b n ASN 487 Cb 0.03 0.93 -0.02 0.00 -1.02 0.00 0.00 39.78 39.70 3g0b n ASN 487 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3g0b n ASP 488 N -0.95 -5.28 -4.76 6.41 9.92 0.11 -4.98 116.55 117.03 3g0b n ASP 488 Ca 0.00 0.12 -0.41 0.00 -0.53 0.00 0.00 54.79 53.98 3g0b n ASP 488 Cb 0.02 -4.47 -0.03 0.00 -0.64 0.00 0.00 41.12 36.00 3g0b n ASP 488 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3g0b s LYS 489 N -4.76 4.45 -0.15 -1.24 2.20 -1.21 -4.80 119.74 114.24 3g0b s LYS 489 Ca 0.00 2.04 -0.29 0.00 -0.36 0.00 0.00 55.97 57.35 3g0b s LYS 489 Cb 0.00 -3.15 -0.03 0.00 -1.51 0.00 0.00 37.83 33.14 3g0b s LYS 489 CO 0.00 -0.09 1.55 0.20 -0.36 0.00 0.00 175.35 176.65 3g0b s GLY 490 N -0.32 1.44 -0.15 5.54 0.00 -1.26 -2.42 107.32 110.14 3g0b s GLY 490 Ca 0.50 0.64 -0.14 0.00 0.00 0.00 0.00 44.72 45.72 3g0b s GLY 490 CO 0.44 2.90 0.16 1.41 0.00 0.00 0.00 173.10 178.01 3g0b h LEU 491 N 10.69 0.00 -7.00 0.66 3.38 -0.86 -3.49 115.31 118.69 3g0b h LEU 491 Ca -0.34 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.31 3g0b h LEU 491 Cb 1.15 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.75 3g0b h LEU 491 CO 0.98 0.92 0.29 0.00 0.09 0.00 0.00 178.44 180.72 3g0b s ARG 492 N -2.08 1.08 -0.33 1.13 1.70 -1.15 -5.00 118.95 114.29 3g0b s ARG 492 Ca -0.15 -0.21 -0.27 0.00 -0.47 0.00 0.00 55.73 54.62 3g0b s ARG 492 Cb 0.01 0.50 0.01 0.00 -0.57 0.00 0.00 34.95 34.91 3g0b s ARG 492 CO 0.35 -0.43 1.00 0.08 -1.08 0.00 0.00 175.30 175.21 3g0b s VAL 493 N -2.81 4.57 -0.05 4.99 1.01 -1.26 -0.66 120.40 126.19 3g0b s VAL 493 Ca -0.01 1.54 -0.19 0.00 0.00 0.00 0.00 61.98 63.32 3g0b s VAL 493 Cb -0.01 -4.36 -0.31 0.00 0.00 0.00 0.00 36.38 31.71 3g0b s VAL 493 CO -0.06 -0.46 0.79 -0.07 0.00 0.00 0.00 175.10 175.31 3g0b h LEU 494 N 9.99 0.51 -7.17 3.92 3.38 -1.08 -3.47 115.31 121.38 3g0b h LEU 494 Ca -0.22 -0.92 -0.09 0.00 0.09 0.00 0.00 57.88 56.74 3g0b h LEU 494 Cb 1.07 -0.16 -0.26 0.00 0.09 0.00 0.00 40.66 41.39 3g0b h LEU 494 CO 1.00 1.53 -0.28 -0.70 0.09 0.00 0.00 178.44 180.08 3g0b s GLU 495 N -2.48 0.41 0.00 1.13 2.56 -0.95 -4.98 118.70 114.40 3g0b s GLU 495 Ca -0.15 0.90 0.00 0.00 0.00 0.00 0.00 54.97 55.72 3g0b s GLU 495 Cb 0.03 0.09 0.00 0.00 2.00 0.00 0.00 34.13 36.25 3g0b s GLU 495 CO 0.83 -0.18 0.65 -0.40 -0.56 0.00 0.00 175.26 175.60 3g0b n ASP 496 N 4.55 1.22 -2.67 -1.70 3.85 -1.26 -0.18 116.55 120.36 3g0b n ASP 496 Ca -0.19 -1.39 -0.21 0.00 -0.71 0.00 0.00 54.79 52.29 3g0b n ASP 496 Cb 0.54 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 40.32 3g0b n ASP 496 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3g0b n ASN 497 N -0.19 -5.75 0.24 -1.12 3.02 -1.26 -4.86 115.26 105.33 3g0b n ASN 497 Ca 0.00 -0.11 0.07 0.00 -0.03 0.00 0.00 54.58 54.51 3g0b n ASN 497 Cb 0.16 -4.74 0.57 0.00 -0.61 0.00 0.00 39.78 35.17 3g0b n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3g0b h SER 498 N -0.54 0.00 -0.26 6.41 4.64 -1.95 0.01 113.55 121.85 3g0b h SER 498 Ca -0.49 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.79 3g0b h SER 498 Cb 1.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 3g0b h SER 498 CO 0.56 0.13 0.01 0.00 -0.87 0.00 0.00 176.83 176.66 3g0b h ALA 499 N 1.87 0.35 -0.34 5.18 0.00 -1.99 -1.36 119.26 122.98 3g0b h ALA 499 Ca -0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3g0b h ALA 499 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3g0b h ALA 499 CO 0.02 0.08 0.05 1.25 0.00 0.00 0.00 179.25 180.64 3g0b h LEU 500 N 0.24 0.54 -1.17 0.00 5.85 -1.74 -2.96 115.31 116.07 3g0b h LEU 500 Ca 0.08 -0.26 0.20 0.00 0.84 0.00 0.00 57.88 58.73 3g0b h LEU 500 Cb 0.40 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.19 3g0b h LEU 500 CO 0.01 0.67 0.62 -0.78 -0.34 0.00 0.00 178.44 178.61 3g0b h ASP 501 N 0.39 0.67 0.35 1.25 1.82 -0.95 -1.96 116.42 117.99 3g0b h ASP 501 Ca 0.10 0.08 -0.02 0.00 -0.39 0.00 0.00 57.03 56.80 3g0b h ASP 501 Cb 0.36 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.33 3g0b h ASP 501 CO 0.01 0.24 -0.17 0.50 -1.61 0.00 0.00 179.24 178.21 3g0b h LYS 502 N 0.65 -0.46 0.00 0.28 1.63 -1.09 -3.01 116.57 114.58 3g0b h LYS 502 Ca 0.55 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.38 3g0b h LYS 502 Cb 1.01 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 3g0b h LYS 502 CO -0.32 -0.15 0.00 0.00 -3.45 0.00 0.00 179.45 175.53 3g0b n MET 503 N -5.11 0.43 -0.03 1.90 0.00 -1.14 -3.03 117.12 110.14 3g0b n MET 503 Ca -0.08 0.06 0.00 0.00 0.00 0.00 0.00 57.70 57.68 3g0b n MET 503 Cb 0.26 -1.50 -0.14 0.00 0.00 0.00 0.00 33.22 31.85 3g0b n MET 503 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 3g0b n LEU 504 N -1.20 0.27 0.00 3.17 7.94 -0.75 -4.31 117.00 122.12 3g0b n LEU 504 Ca 0.12 0.12 0.10 0.00 -1.11 0.00 0.00 56.01 55.24 3g0b n LEU 504 Cb 0.15 0.20 0.52 0.00 0.53 0.00 0.00 43.42 44.81 3g0b n LEU 504 CO 0.16 0.21 0.81 0.00 -1.11 0.00 0.00 177.39 177.46 3g0b n GLN 505 N -2.63 0.34 -0.01 1.96 10.64 -1.14 -1.49 117.38 125.04 3g0b n GLN 505 Ca -0.16 0.08 0.07 0.00 -1.83 0.00 0.00 57.00 55.17 3g0b n GLN 505 Cb 0.86 -1.50 0.07 0.00 -0.86 0.00 0.00 30.24 28.80 3g0b n GLN 505 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 3g0b n ASN 506 N -1.24 2.23 -4.73 2.61 0.23 -1.26 -4.92 115.26 108.17 3g0b n ASN 506 Ca 0.10 -1.61 -0.39 0.00 -0.53 0.00 0.00 54.58 52.15 3g0b n ASN 506 Cb 0.15 -0.02 -0.05 0.00 -2.08 0.00 0.00 39.78 37.78 3g0b n ASN 506 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3g0b s VAL 507 N -1.16 5.03 -0.61 3.53 1.01 -0.56 -3.20 120.40 124.45 3g0b s VAL 507 Ca 0.17 1.31 -0.26 0.00 0.00 0.00 0.00 61.98 63.20 3g0b s VAL 507 Cb 0.12 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 3g0b s VAL 507 CO 0.18 0.31 2.21 -1.10 0.00 0.00 0.00 175.10 176.69 3g0b s GLN 508 N 0.50 2.22 0.02 2.72 -0.21 -0.39 -4.97 119.66 119.56 3g0b s GLN 508 Ca 0.34 0.89 -0.04 0.00 0.02 0.00 0.00 55.36 56.57 3g0b s GLN 508 Cb -0.17 -4.60 -0.05 0.00 1.00 0.00 0.00 33.01 29.19 3g0b s GLN 508 CO 0.17 -3.30 0.25 -1.64 -2.12 0.00 0.00 175.29 168.64 3g0b s MET 509 N 7.89 3.52 0.88 2.91 -1.94 -1.26 -4.11 119.30 127.20 3g0b s MET 509 Ca 0.85 -0.19 -0.11 0.00 -1.71 0.00 0.00 55.69 54.53 3g0b s MET 509 Cb -0.14 -3.06 0.12 0.00 2.01 0.00 0.00 34.83 33.76 3g0b s MET 509 CO 0.19 0.63 1.09 -1.25 -0.01 0.00 0.00 175.02 175.68 3g0b s PRO 510 N -1.99 1.39 0.11 2.03 0.04 -1.26 -4.13 135.00 131.19 3g0b s PRO 510 Ca 0.30 0.97 0.05 0.00 0.04 0.00 0.00 61.00 62.35 3g0b s PRO 510 Cb -0.13 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 3g0b s PRO 510 CO 0.19 -2.19 0.05 -1.54 0.04 0.00 0.00 177.00 173.54 3g0b s SER 511 N -3.31 5.23 -0.19 6.66 1.04 0.52 -4.91 113.70 118.74 3g0b s SER 511 Ca 0.63 -0.14 -0.06 0.00 0.48 0.00 0.00 55.95 56.86 3g0b s SER 511 Cb -0.18 -1.30 -0.03 0.00 0.10 0.00 0.00 66.02 64.60 3g0b s SER 511 CO 0.57 0.15 0.04 -0.75 0.98 0.00 0.00 173.24 174.22 3g0b s LYS 512 N -2.55 3.80 -0.23 4.02 2.20 -1.26 0.45 119.74 126.18 3g0b s LYS 512 Ca 0.28 -0.43 -0.09 0.00 -0.36 0.00 0.00 55.97 55.36 3g0b s LYS 512 Cb -0.11 -3.16 -0.05 0.00 -1.51 0.00 0.00 37.83 33.00 3g0b s LYS 512 CO 0.20 0.13 0.12 0.21 -0.36 0.00 0.00 175.35 175.66 3g0b s LYS 513 N 0.73 4.00 -0.27 4.03 2.20 -0.18 -4.96 119.74 125.29 3g0b s LYS 513 Ca 0.02 -0.31 -0.03 0.00 -0.36 0.00 0.00 55.97 55.28 3g0b s LYS 513 Cb -0.14 -3.43 0.02 0.00 -1.51 0.00 0.00 37.83 32.77 3g0b s LYS 513 CO 0.02 0.09 -0.01 -1.17 -0.36 0.00 0.00 175.35 173.92 3g0b s LEU 514 N 0.95 3.47 0.00 5.43 0.20 -1.26 -0.46 118.68 127.01 3g0b s LEU 514 Ca 0.06 -0.86 -0.01 0.00 0.69 0.00 0.00 54.13 54.01 3g0b s LEU 514 Cb -0.13 -1.74 0.01 0.00 -0.43 0.00 0.00 46.19 43.89 3g0b s LEU 514 CO 0.03 -0.16 0.26 -0.67 -0.29 0.00 0.00 176.35 175.52 3g0b n ASP 515 N 4.73 -0.73 -4.25 3.68 -0.08 -0.68 -5.02 116.55 114.20 3g0b n ASP 515 Ca -0.15 -1.96 -0.17 0.00 -1.51 0.00 0.00 54.79 51.00 3g0b n ASP 515 Cb 0.47 1.35 -0.11 0.00 2.34 0.00 0.00 41.12 45.17 3g0b n ASP 515 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 3g0b s PHE 516 N -4.06 1.36 0.20 -0.67 -0.12 -1.26 -0.68 117.98 112.75 3g0b s PHE 516 Ca 0.14 -0.62 0.10 0.00 -0.05 0.00 0.00 56.93 56.50 3g0b s PHE 516 Cb -0.01 -0.70 -0.04 0.00 -0.63 0.00 0.00 43.02 41.64 3g0b s PHE 516 CO 0.10 0.14 -0.17 0.96 -0.05 0.00 0.00 175.22 176.20 3g0b s ILE 517 N -2.60 2.75 -0.49 -4.49 -4.36 0.21 -4.92 121.20 107.30 3g0b s ILE 517 Ca 0.12 -1.92 -0.10 0.00 -0.26 0.00 0.00 60.65 58.49 3g0b s ILE 517 Cb -0.02 -2.36 0.12 0.00 1.25 0.00 0.00 42.46 41.45 3g0b s ILE 517 CO 0.02 -0.16 0.37 -0.63 0.24 0.00 0.00 174.94 174.79 3g0b s ILE 518 N -1.82 4.33 -0.20 8.37 1.01 -1.26 -1.00 121.20 130.63 3g0b s ILE 518 Ca 0.24 -1.80 -0.12 0.00 0.00 0.00 0.00 60.65 58.96 3g0b s ILE 518 Cb -0.08 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 3g0b s ILE 518 CO 0.13 -0.79 0.23 -0.76 0.00 0.00 0.00 174.94 173.75 3g0b s LEU 519 N 1.33 4.18 -1.36 2.97 1.02 -0.60 -4.66 118.68 121.55 3g0b s LEU 519 Ca 0.06 0.33 -0.12 0.00 0.02 0.00 0.00 54.13 54.42 3g0b s LEU 519 Cb -0.26 -2.25 0.01 0.00 0.02 0.00 0.00 46.19 43.71 3g0b s LEU 519 CO -0.01 0.08 0.41 0.59 0.02 0.00 0.00 176.35 177.44 3g0b n ASN 520 N 3.94 -1.58 0.00 2.29 4.13 -1.26 -0.43 115.26 122.35 3g0b n ASN 520 Ca -0.13 -1.16 0.00 0.00 1.68 0.00 0.00 54.58 54.96 3g0b n ASN 520 Cb 0.52 -2.32 0.00 0.00 -1.54 0.00 0.00 39.78 36.44 3g0b n ASN 520 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3g0b n GLU 521 N -4.59 -0.83 -5.17 3.52 4.71 -1.26 -4.99 120.64 112.03 3g0b n GLU 521 Ca -0.24 0.21 -0.32 0.00 -0.01 0.00 0.00 57.16 56.80 3g0b n GLU 521 Cb 0.65 -4.08 -0.16 0.00 -1.01 0.00 0.00 31.44 26.84 3g0b n GLU 521 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 3g0b s THR 522 N -1.63 2.26 0.18 2.62 2.01 0.43 -5.11 115.64 116.40 3g0b s THR 522 Ca 0.00 -0.99 -0.30 0.00 0.31 0.00 0.00 61.69 60.71 3g0b s THR 522 Cb 0.00 -1.84 -0.08 0.00 0.01 0.00 0.00 72.50 70.58 3g0b s THR 522 CO 0.00 0.57 1.31 -0.54 -0.69 0.00 0.00 174.62 175.27 3g0b s LYS 523 N -0.10 4.38 -0.06 4.92 1.02 -1.26 -1.56 119.74 127.08 3g0b s LYS 523 Ca -0.05 2.04 0.00 0.00 0.02 0.00 0.00 55.97 57.98 3g0b s LYS 523 Cb -0.14 -3.21 0.02 0.00 -0.52 0.00 0.00 37.83 33.98 3g0b s LYS 523 CO 0.04 -0.27 -0.05 -0.06 -0.92 0.00 0.00 175.35 174.09 3g0b s PHE 524 N 0.28 0.89 0.11 3.18 0.08 -0.17 -4.95 117.98 117.41 3g0b s PHE 524 Ca 0.58 -0.30 -0.12 0.00 0.12 0.00 0.00 56.93 57.21 3g0b s PHE 524 Cb -0.36 -0.81 -0.06 0.00 -0.57 0.00 0.00 43.02 41.22 3g0b s PHE 524 CO 0.37 -0.27 0.48 -1.58 -0.10 0.00 0.00 175.22 174.12 3g0b s TRP 525 N 1.21 3.59 0.05 0.36 0.52 -1.25 -0.62 118.94 122.81 3g0b s TRP 525 Ca -0.06 0.93 -0.00 0.00 0.02 0.00 0.00 56.10 56.99 3g0b s TRP 525 Cb -0.14 -2.27 -0.04 0.00 -1.15 0.00 0.00 33.47 29.88 3g0b s TRP 525 CO -0.02 0.47 -0.04 1.52 0.02 0.00 0.00 176.95 178.90 3g0b s TYR 526 N -1.43 0.56 0.11 -1.98 -0.85 0.14 -0.59 117.35 113.31 3g0b s TYR 526 Ca 0.36 -0.89 0.07 0.00 -0.52 0.00 0.00 57.07 56.09 3g0b s TYR 526 Cb -0.14 -0.38 -0.03 0.00 0.38 0.00 0.00 41.96 41.78 3g0b s TYR 526 CO 0.19 -0.27 -0.18 1.14 -1.52 0.00 0.00 175.55 174.90 3g0b s GLN 527 N -3.25 1.06 -0.09 -3.49 -2.07 -0.28 -1.68 119.66 109.85 3g0b s GLN 527 Ca 0.02 -1.16 0.02 0.00 -1.82 0.00 0.00 55.36 52.43 3g0b s GLN 527 Cb 0.03 -1.18 0.01 0.00 -1.09 0.00 0.00 33.01 30.78 3g0b s GLN 527 CO -0.06 0.26 -0.14 -1.64 -1.32 0.00 0.00 175.29 172.39 3g0b s MET 528 N -2.10 1.98 -0.33 9.60 -1.94 0.40 -1.07 119.30 125.84 3g0b s MET 528 Ca 0.06 -0.49 -0.22 0.00 -1.71 0.00 0.00 55.69 53.33 3g0b s MET 528 Cb -0.09 -1.66 -0.00 0.00 2.01 0.00 0.00 34.83 35.09 3g0b s MET 528 CO 0.04 -0.01 0.70 0.42 -0.01 0.00 0.00 175.02 176.15 3g0b s ILE 529 N 0.83 4.85 -0.16 2.53 -1.09 0.15 -1.01 121.20 127.29 3g0b s ILE 529 Ca -0.11 0.87 -0.04 0.00 -2.23 0.00 0.00 60.65 59.15 3g0b s ILE 529 Cb -0.15 -4.09 -0.03 0.00 -1.58 0.00 0.00 42.46 36.61 3g0b s ILE 529 CO 0.02 -0.27 -0.03 -0.76 -1.23 0.00 0.00 174.94 172.67 3g0b s LEU 530 N 2.81 3.24 0.67 2.97 1.43 0.17 -1.92 118.68 128.05 3g0b s LEU 530 Ca 0.28 -0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 53.06 3g0b s LEU 530 Cb -0.14 -1.79 -0.09 0.00 0.03 0.00 0.00 46.19 44.20 3g0b s LEU 530 CO 0.14 0.15 0.23 -2.65 0.23 0.00 0.00 176.35 174.45 3g0b n PRO 531 N 3.67 0.23 -1.79 1.29 -0.02 -1.26 -0.36 135.00 136.77 3g0b n PRO 531 Ca -0.17 0.10 -0.37 0.00 -2.02 0.00 0.00 63.50 61.04 3g0b n PRO 531 Cb 0.52 -1.52 0.06 0.00 -0.02 0.00 0.00 33.50 32.55 3g0b n PRO 531 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3g0b s PRO 532 N -2.14 2.62 -1.89 0.52 0.02 -1.26 -2.43 135.00 130.45 3g0b s PRO 532 Ca 0.61 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.66 3g0b s PRO 532 Cb -0.38 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.27 3g0b s PRO 532 CO 0.62 -1.53 0.00 0.72 -0.33 0.00 0.00 177.00 176.48 3g0b n HIS 533 N -1.85 -0.66 -1.49 6.54 8.25 -1.26 -4.88 115.22 119.87 3g0b n HIS 533 Ca 0.15 0.00 -0.50 0.00 -0.26 0.00 0.00 57.72 57.11 3g0b n HIS 533 Cb 0.48 -3.71 -0.04 0.00 1.12 0.00 0.00 29.99 27.84 3g0b n HIS 533 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3g0b n PHE 534 N -3.35 0.42 -3.78 4.41 7.35 -1.02 -4.98 117.46 116.51 3g0b n PHE 534 Ca -0.23 0.89 -0.27 0.00 -0.76 0.00 0.00 57.45 57.08 3g0b n PHE 534 Cb 0.68 -2.10 -0.17 0.00 0.35 0.00 0.00 39.48 38.24 3g0b n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3g0b s ASP 535 N -0.47 2.70 0.03 -2.13 -1.08 -1.26 -5.02 116.67 109.45 3g0b s ASP 535 Ca 0.72 -0.68 0.10 0.00 -0.52 0.00 0.00 52.55 52.17 3g0b s ASP 535 Cb -0.96 -0.65 0.43 0.00 -1.46 0.00 0.00 42.92 40.28 3g0b s ASP 535 CO 0.56 -0.26 1.31 0.29 0.52 0.00 0.00 175.17 177.59 3g0b n LYS 536 N 5.02 0.02 0.07 4.34 5.02 -1.26 -1.36 118.16 130.00 3g0b n LYS 536 Ca -0.09 0.37 0.13 0.00 -2.02 0.00 0.00 58.31 56.70 3g0b n LYS 536 Cb 0.48 -1.54 0.31 0.00 -0.02 0.00 0.00 35.03 34.25 3g0b n LYS 536 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3g0b n SER 537 N -1.58 0.65 -4.89 4.39 7.64 -1.26 -4.43 113.62 114.14 3g0b n SER 537 Ca 0.02 0.29 -0.31 0.00 1.01 0.00 0.00 58.87 59.88 3g0b n SER 537 Cb 0.10 -0.25 -0.05 0.00 -1.01 0.00 0.00 64.21 63.01 3g0b n SER 537 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3g0b s LYS 538 N -3.11 3.73 -0.29 1.43 1.02 -0.46 -5.06 119.74 117.00 3g0b s LYS 538 Ca 0.09 0.17 -0.11 0.00 0.02 0.00 0.00 55.97 56.14 3g0b s LYS 538 Cb 0.14 -2.65 -0.04 0.00 -0.52 0.00 0.00 37.83 34.75 3g0b s LYS 538 CO 0.65 0.28 0.20 0.15 -0.92 0.00 0.00 175.35 175.71 3g0b s LYS 539 N -3.07 3.85 -0.05 1.68 -0.14 -1.26 -4.45 119.74 116.30 3g0b s LYS 539 Ca 0.46 -0.39 -0.00 0.00 -1.36 0.00 0.00 55.97 54.68 3g0b s LYS 539 Cb -0.11 -3.68 -0.03 0.00 -1.68 0.00 0.00 37.83 32.33 3g0b s LYS 539 CO 0.24 -0.23 0.00 0.71 -0.76 0.00 0.00 175.35 175.32 3g0b s TYR 540 N 1.75 3.12 0.36 3.18 2.02 -0.58 -4.48 117.35 122.72 3g0b s TYR 540 Ca 0.07 0.14 -0.28 0.00 -0.37 0.00 0.00 57.07 56.63 3g0b s TYR 540 Cb -0.16 -1.74 -0.10 0.00 -0.40 0.00 0.00 41.96 39.56 3g0b s TYR 540 CO 0.11 0.46 1.35 -1.25 -1.57 0.00 0.00 175.55 174.65 3g0b s PRO 541 N -1.19 4.18 -0.04 -1.71 0.04 -1.26 0.22 135.00 135.24 3g0b s PRO 541 Ca 0.16 2.30 0.06 0.00 0.04 0.00 0.00 61.00 63.55 3g0b s PRO 541 Cb -0.11 -2.96 -0.02 0.00 0.04 0.00 0.00 34.50 31.45 3g0b s PRO 541 CO 0.06 -0.36 -0.21 -1.17 0.04 0.00 0.00 177.00 175.36 3g0b s LEU 542 N -2.05 2.34 -0.19 -3.56 0.20 -0.16 -1.15 118.68 114.12 3g0b s LEU 542 Ca 0.52 -0.37 -0.02 0.00 0.69 0.00 0.00 54.13 54.95 3g0b s LEU 542 Cb -0.41 -1.44 -0.00 0.00 -0.43 0.00 0.00 46.19 43.91 3g0b s LEU 542 CO 0.55 0.31 -0.10 -0.22 -0.29 0.00 0.00 176.35 176.59 3g0b s LEU 543 N -0.51 2.66 -0.34 -0.68 2.96 0.11 0.12 118.68 123.00 3g0b s LEU 543 Ca 0.07 -0.44 -0.24 0.00 -0.22 0.00 0.00 54.13 53.30 3g0b s LEU 543 Cb -0.11 -1.64 0.01 0.00 0.50 0.00 0.00 46.19 44.94 3g0b s LEU 543 CO 0.01 0.04 0.81 -0.22 -1.32 0.00 0.00 176.35 175.67 3g0b s LEU 544 N 1.12 4.09 -0.42 -0.68 2.96 0.41 -0.57 118.68 125.59 3g0b s LEU 544 Ca 0.01 0.52 -0.22 0.00 -0.22 0.00 0.00 54.13 54.22 3g0b s LEU 544 Cb -0.14 -3.09 0.02 0.00 0.50 0.00 0.00 46.19 43.47 3g0b s LEU 544 CO -0.03 -0.71 0.72 -0.62 -1.32 0.00 0.00 176.35 174.39 3g0b s ASP 545 N 1.76 6.41 -0.06 3.68 3.68 0.22 -0.83 116.67 131.53 3g0b s ASP 545 Ca 0.33 -0.05 0.05 0.00 2.13 0.00 0.00 52.55 55.00 3g0b s ASP 545 Cb -0.13 -2.36 -0.02 0.00 -1.45 0.00 0.00 42.92 38.96 3g0b s ASP 545 CO 0.15 -0.79 -0.20 0.54 0.13 0.00 0.00 175.17 175.01 3g0b s VAL 546 N 3.02 2.56 0.00 1.11 0.11 -0.19 -4.31 120.40 122.71 3g0b s VAL 546 Ca 0.27 -0.89 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 3g0b s VAL 546 Cb -0.13 -1.98 0.00 0.00 -1.53 0.00 0.00 36.38 32.74 3g0b s VAL 546 CO 0.19 0.57 0.00 0.00 -3.33 0.00 0.00 175.10 172.54 3g0b n TYR 547 N 2.73 0.00 -0.99 1.54 -0.00 -1.26 -4.13 117.16 115.05 3g0b n TYR 547 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.73 3g0b n TYR 547 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 3g0b n TYR 547 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3g0b n ALA 548 N -1.56 0.00 -1.15 2.98 0.00 -1.26 -2.90 120.51 116.62 3g0b n ALA 548 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 3g0b n ALA 548 Cb 0.00 -0.85 0.13 0.00 0.00 0.00 0.00 19.45 18.72 3g0b n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3g0b s GLY 549 N -2.00 1.64 -0.04 0.00 0.00 -1.26 -4.79 107.32 100.88 3g0b s GLY 549 Ca 0.00 0.12 -0.36 0.00 0.00 0.00 0.00 44.72 44.48 3g0b s GLY 549 CO 0.00 0.56 1.62 -1.05 0.00 0.00 0.00 173.10 174.23 3g0b n PRO 550 N -3.81 1.60 -1.48 2.90 -0.02 -1.26 -1.16 135.00 131.78 3g0b n PRO 550 Ca 0.08 0.58 -0.13 0.00 -2.02 0.00 0.00 63.50 62.01 3g0b n PRO 550 Cb 0.54 -2.31 -0.05 0.00 -0.02 0.00 0.00 33.50 31.66 3g0b n PRO 550 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g0b s SER 552 N -2.81 6.11 -0.16 0.00 1.04 -0.31 -4.05 113.70 113.51 3g0b s SER 552 Ca 0.00 1.70 -0.04 0.00 0.48 0.00 0.00 55.95 58.09 3g0b s SER 552 Cb 0.00 -2.52 0.08 0.00 0.10 0.00 0.00 66.02 63.68 3g0b s SER 552 CO 0.00 -0.94 0.24 -1.58 0.98 0.00 0.00 173.24 171.94 3g0b s GLN 553 N -4.16 0.16 0.00 4.02 0.74 -1.26 -1.03 119.66 118.14 3g0b s GLN 553 Ca 0.61 0.49 0.01 0.00 0.05 0.00 0.00 55.36 56.53 3g0b s GLN 553 Cb -0.13 -0.57 -0.01 0.00 1.10 0.00 0.00 33.01 33.39 3g0b s GLN 553 CO 0.36 -0.46 0.18 1.63 -0.55 0.00 0.00 175.29 176.45 3g0b n LYS 554 N 5.34 4.74 -3.72 1.67 4.76 -1.26 -4.89 118.16 124.80 3g0b n LYS 554 Ca -0.05 -0.15 -0.38 0.00 -2.87 0.00 0.00 58.31 54.86 3g0b n LYS 554 Cb 0.50 -0.68 -0.12 0.00 -1.84 0.00 0.00 35.03 32.89 3g0b n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3g0b s ALA 555 N -0.89 3.11 0.32 7.82 0.00 -1.26 -4.72 121.76 126.14 3g0b s ALA 555 Ca 0.01 -1.68 -0.16 0.00 0.00 0.00 0.00 51.96 50.13 3g0b s ALA 555 Cb 0.01 -2.32 0.03 0.00 0.00 0.00 0.00 23.12 20.83 3g0b s ALA 555 CO 0.05 -1.27 0.68 0.16 0.00 0.00 0.00 175.76 175.38 3g0b s ASP 556 N 1.46 -0.03 -0.17 0.00 1.47 -1.26 -4.40 116.67 113.74 3g0b s ASP 556 Ca 0.00 -0.93 0.16 0.00 1.18 0.00 0.00 52.55 52.95 3g0b s ASP 556 Cb -0.19 0.75 0.75 0.00 -0.34 0.00 0.00 42.92 43.88 3g0b s ASP 556 CO 0.04 -1.43 1.65 0.35 0.68 0.00 0.00 175.17 176.46 3g0b n THR 557 N -0.48 2.22 -2.58 2.11 -2.24 -0.97 -4.93 114.28 107.39 3g0b n THR 557 Ca -0.05 -1.24 -0.42 0.00 -2.27 0.00 0.00 64.05 60.07 3g0b n THR 557 Cb 0.60 -0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 3g0b n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3g0b s VAL 558 N -2.27 4.48 -0.09 2.28 1.01 -1.26 -1.22 120.40 123.33 3g0b s VAL 558 Ca 0.51 1.79 -0.30 0.00 0.00 0.00 0.00 61.98 63.99 3g0b s VAL 558 Cb 0.36 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 3g0b s VAL 558 CO 0.20 0.14 1.17 0.12 0.00 0.00 0.00 175.10 176.73 3g0b s PHE 559 N 0.99 3.20 0.08 5.22 5.36 0.95 -4.90 117.98 128.88 3g0b s PHE 559 Ca 0.55 1.26 0.06 0.00 -0.96 0.00 0.00 56.93 57.84 3g0b s PHE 559 Cb -0.25 -3.39 -0.03 0.00 -0.34 0.00 0.00 43.02 39.01 3g0b s PHE 559 CO 0.29 -1.15 -0.17 1.03 -1.46 0.00 0.00 175.22 173.75 3g0b s ARG 560 N 2.40 0.98 -0.31 10.12 0.52 -1.26 -4.88 118.95 126.51 3g0b s ARG 560 Ca 0.54 -1.01 0.03 0.00 -0.52 0.00 0.00 55.73 54.77 3g0b s ARG 560 Cb -0.23 -1.09 0.09 0.00 0.52 0.00 0.00 34.95 34.24 3g0b s ARG 560 CO 0.20 0.25 0.01 -0.51 0.02 0.00 0.00 175.30 175.26 3g0b s LEU 561 N -1.71 4.12 0.00 2.53 1.43 -1.26 -4.89 118.68 118.90 3g0b s LEU 561 Ca 0.02 -1.87 0.00 0.00 -1.03 0.00 0.00 54.13 51.25 3g0b s LEU 561 Cb -0.10 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.59 3g0b s LEU 561 CO 0.03 -0.32 0.00 -0.46 0.23 0.00 0.00 176.35 175.82 3g0b n ASN 562 N 4.36 0.00 -0.19 2.29 0.23 -1.26 -5.01 115.26 115.69 3g0b n ASN 562 Ca -0.02 -0.63 -0.04 0.00 -0.53 0.00 0.00 54.58 53.37 3g0b n ASN 562 Cb 0.42 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.18 3g0b n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 3g0b h TRP 563 N 0.63 0.56 -0.97 -2.53 7.01 -1.98 -2.33 115.95 116.34 3g0b h TRP 563 Ca 0.00 0.02 0.12 0.00 2.11 0.00 0.00 58.89 61.14 3g0b h TRP 563 Cb 0.00 -0.17 -0.08 0.00 -2.10 0.00 0.00 29.16 26.81 3g0b h TRP 563 CO 0.00 0.29 0.62 0.00 -2.79 0.00 0.00 178.44 176.55 3g0b h ALA 564 N 1.29 1.58 -0.22 2.65 0.00 -1.98 -0.62 119.26 121.95 3g0b h ALA 564 Ca 0.24 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.20 3g0b h ALA 564 Cb 0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3g0b h ALA 564 CO -0.15 0.19 0.04 1.15 0.00 0.00 0.00 179.25 180.48 3g0b h THR 565 N 0.95 0.89 -0.87 0.00 2.02 -1.77 0.72 112.91 114.85 3g0b h THR 565 Ca 0.48 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.61 3g0b h THR 565 Cb 0.49 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 3g0b h THR 565 CO -0.24 0.02 0.54 0.22 0.37 0.00 0.00 175.52 176.43 3g0b h TYR 566 N 0.12 1.13 -0.59 3.16 5.03 -1.17 0.21 116.97 124.86 3g0b h TYR 566 Ca 0.10 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.36 3g0b h TYR 566 Cb 0.10 -0.37 -0.02 0.00 1.55 0.00 0.00 36.73 37.99 3g0b h TYR 566 CO -0.15 0.74 0.14 -0.07 -1.32 0.00 0.00 178.16 177.49 3g0b h LEU 567 N 1.19 0.91 -0.01 2.82 3.38 -0.66 0.29 115.31 123.23 3g0b h LEU 567 Ca 0.31 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 3g0b h LEU 567 Cb -0.08 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.44 3g0b h LEU 567 CO -0.06 0.91 -0.42 0.00 0.09 0.00 0.00 178.44 178.96 3g0b h ALA 568 N 1.03 0.06 -0.17 1.53 0.00 -0.82 -0.31 119.26 120.58 3g0b h ALA 568 Ca 0.19 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 3g0b h ALA 568 Cb 0.36 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3g0b h ALA 568 CO 0.00 0.22 -0.26 1.03 0.00 0.00 0.00 179.25 180.25 3g0b h SER 569 N -0.28 0.53 0.01 0.00 0.87 -0.51 -3.05 113.55 111.12 3g0b h SER 569 Ca -0.05 -0.52 -0.41 0.00 -1.23 0.00 0.00 61.79 59.58 3g0b h SER 569 Cb 1.15 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 62.89 3g0b h SER 569 CO 0.08 0.95 -2.35 0.41 -0.53 0.00 0.00 176.83 175.39 3g0b n THR 570 N -4.41 1.54 1.25 2.23 -1.04 0.10 -4.58 114.28 109.38 3g0b n THR 570 Ca -0.06 -0.42 0.13 0.00 -2.04 0.00 0.00 64.05 61.66 3g0b n THR 570 Cb 0.45 -1.76 0.38 0.00 -1.82 0.00 0.00 70.33 67.58 3g0b n THR 570 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3g0b n GLU 571 N -3.93 0.90 -3.83 -2.82 -0.58 -0.96 -4.95 120.64 104.47 3g0b n GLU 571 Ca -0.48 -0.54 -0.29 0.00 -0.42 0.00 0.00 57.16 55.43 3g0b n GLU 571 Cb 0.91 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 30.32 3g0b n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3g0b n ASN 572 N -0.58 -5.13 -4.78 1.62 5.03 -0.64 -4.95 115.26 105.82 3g0b n ASN 572 Ca 0.12 -0.72 -0.36 0.00 0.87 0.00 0.00 54.58 54.50 3g0b n ASN 572 Cb 0.35 -4.09 -0.07 0.00 -1.02 0.00 0.00 39.78 34.96 3g0b n ASN 572 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3g0b s ILE 573 N -3.29 5.40 -0.03 2.41 1.01 -0.22 -4.49 121.20 121.99 3g0b s ILE 573 Ca 0.64 0.29 -0.30 0.00 0.00 0.00 0.00 60.65 61.28 3g0b s ILE 573 Cb -0.32 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 3g0b s ILE 573 CO 0.80 0.49 1.29 -0.63 0.00 0.00 0.00 174.94 176.88 3g0b s ILE 574 N -0.11 4.02 -0.24 2.92 1.01 -0.30 -3.45 121.20 125.06 3g0b s ILE 574 Ca 0.12 1.37 -0.03 0.00 0.00 0.00 0.00 60.65 62.12 3g0b s ILE 574 Cb -0.12 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.48 3g0b s ILE 574 CO 0.02 -0.00 -0.05 0.54 0.00 0.00 0.00 174.94 175.45 3g0b s VAL 575 N 2.32 3.11 0.15 2.92 0.11 -0.81 0.09 120.40 128.28 3g0b s VAL 575 Ca 0.59 -0.83 0.09 0.00 -2.93 0.00 0.00 61.98 58.90 3g0b s VAL 575 Cb -0.27 -2.52 -0.04 0.00 -1.53 0.00 0.00 36.38 32.01 3g0b s VAL 575 CO 0.24 0.26 -0.15 0.00 -3.33 0.00 0.00 175.10 172.12 3g0b s ALA 576 N 1.39 2.77 0.11 1.54 0.00 0.26 0.29 121.76 128.12 3g0b s ALA 576 Ca 0.02 -1.42 0.05 0.00 0.00 0.00 0.00 51.96 50.61 3g0b s ALA 576 Cb -0.16 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 3g0b s ALA 576 CO -0.04 0.53 -0.13 -1.12 0.00 0.00 0.00 175.76 175.01 3g0b s SER 577 N -2.45 1.77 -0.04 0.00 0.01 -0.23 0.71 113.70 113.47 3g0b s SER 577 Ca 0.21 -0.78 -0.03 0.00 1.31 0.00 0.00 55.95 56.67 3g0b s SER 577 Cb -0.10 -0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.11 3g0b s SER 577 CO 0.12 -0.17 0.09 0.12 0.41 0.00 0.00 173.24 173.82 3g0b s PHE 578 N -2.08 -0.10 -0.54 2.43 5.36 -1.26 -1.13 117.98 120.66 3g0b s PHE 578 Ca 0.06 0.28 -0.05 0.00 -0.96 0.00 0.00 56.93 56.25 3g0b s PHE 578 Cb -0.05 -0.03 0.14 0.00 -0.34 0.00 0.00 43.02 42.74 3g0b s PHE 578 CO 0.02 -0.08 0.38 -0.51 -1.46 0.00 0.00 175.22 173.57 3g0b s ASP 579 N 0.44 5.49 0.00 6.13 1.01 0.25 -4.83 116.67 125.16 3g0b s ASP 579 Ca -0.03 -2.38 0.00 0.00 0.71 0.00 0.00 52.55 50.85 3g0b s ASP 579 Cb -0.05 -1.92 0.00 0.00 1.01 0.00 0.00 42.92 41.97 3g0b s ASP 579 CO -0.02 -0.52 0.00 0.61 0.21 0.00 0.00 175.17 175.46 3g0b n GLY 580 N 4.19 1.72 3.77 0.21 0.00 -1.26 -3.82 105.19 109.99 3g0b n GLY 580 Ca 0.02 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 43.84 3g0b n GLY 580 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g0b s ARG 581 N 3.33 3.82 0.00 1.61 0.52 -1.26 -2.25 118.95 124.72 3g0b s ARG 581 Ca 0.00 2.16 0.00 0.00 -0.52 0.00 0.00 55.73 57.37 3g0b s ARG 581 Cb 0.00 -2.65 0.00 0.00 0.52 0.00 0.00 34.95 32.82 3g0b s ARG 581 CO 0.00 -0.62 0.00 0.41 0.02 0.00 0.00 175.30 175.11 3g0b n GLY 582 N 0.64 3.15 3.74 -3.53 0.00 0.59 -3.97 105.19 105.82 3g0b n GLY 582 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3g0b n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g0b s SER 583 N -0.59 4.02 0.48 1.61 1.04 -0.95 -0.51 113.70 118.80 3g0b s SER 583 Ca 0.00 1.84 0.09 0.00 0.48 0.00 0.00 55.95 58.36 3g0b s SER 583 Cb 0.00 -2.48 0.04 0.00 0.10 0.00 0.00 66.02 63.68 3g0b s SER 583 CO 0.00 -2.35 0.64 -0.83 0.98 0.00 0.00 173.24 171.69 3g0b s GLY 584 N -3.25 1.88 -1.38 7.32 0.00 -0.20 -3.48 107.32 108.20 3g0b s GLY 584 Ca 0.63 -1.84 0.00 0.00 0.00 0.00 0.00 44.72 43.50 3g0b s GLY 584 CO 0.57 -1.57 0.00 -1.72 0.00 0.00 0.00 173.10 170.38 3g0b n TYR 585 N -1.98 0.00 -1.24 1.90 4.02 -1.26 -4.84 117.16 113.76 3g0b n TYR 585 Ca 0.11 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 58.04 3g0b n TYR 585 Cb 0.60 -2.42 0.06 0.00 -0.02 0.00 0.00 39.34 37.56 3g0b n TYR 585 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3g0b n GLN 586 N -2.45 0.92 0.00 -0.72 6.02 -1.26 -4.33 117.38 115.56 3g0b n GLN 586 Ca -0.13 -1.65 0.00 0.00 -0.01 0.00 0.00 57.00 55.21 3g0b n GLN 586 Cb 0.45 -0.97 0.00 0.00 1.02 0.00 0.00 30.24 30.74 3g0b n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g0b n GLY 587 N -0.65 1.58 0.25 1.08 0.00 -1.26 -4.63 105.19 101.56 3g0b n GLY 587 Ca 0.06 -1.85 0.14 0.00 0.00 0.00 0.00 46.02 44.37 3g0b n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3g0b h ASP 588 N 0.00 0.00 -0.49 1.61 3.32 -0.12 -2.04 116.42 118.70 3g0b h ASP 588 Ca 0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 3g0b h ASP 588 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3g0b h ASP 588 CO 0.00 0.10 0.32 0.50 -1.72 0.00 0.00 179.24 178.44 3g0b h LYS 589 N 0.00 0.63 0.07 3.56 3.64 -1.86 0.11 116.57 122.73 3g0b h LYS 589 Ca -0.00 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3g0b h LYS 589 Cb 0.65 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3g0b h LYS 589 CO 0.01 0.42 -0.03 0.82 -2.27 0.00 0.00 179.45 178.40 3g0b h ILE 590 N 0.65 1.24 -0.39 2.00 2.04 -1.80 -3.28 117.51 117.96 3g0b h ILE 590 Ca 0.18 -1.29 -0.05 0.00 1.00 0.00 0.00 64.86 64.70 3g0b h ILE 590 Cb -0.06 2.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 3g0b h ILE 590 CO -0.05 0.31 0.05 -0.03 0.00 0.00 0.00 178.15 178.44 3g0b h MET 591 N -0.70 0.66 0.00 2.37 4.05 -1.27 0.17 114.93 120.21 3g0b h MET 591 Ca -0.01 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.23 3g0b h MET 591 Cb 0.58 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 3g0b h MET 591 CO 0.02 0.72 0.00 0.72 0.23 0.00 0.00 176.91 178.59 3g0b n HIS 592 N -4.51 0.00 0.15 1.39 8.25 0.39 -4.05 115.22 116.83 3g0b n HIS 592 Ca -0.01 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.51 3g0b n HIS 592 Cb 0.24 0.00 0.51 0.00 1.12 0.00 0.00 29.99 31.86 3g0b n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3g0b h ALA 593 N 3.80 1.78 -0.41 -1.41 0.00 -1.58 -1.26 119.26 120.19 3g0b h ALA 593 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3g0b h ALA 593 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3g0b h ALA 593 CO 0.00 0.18 0.00 0.44 0.00 0.00 0.00 179.25 179.87 3g0b n ILE 594 N -4.44 0.54 -1.68 0.00 -6.64 -1.26 -4.92 119.36 100.96 3g0b n ILE 594 Ca -0.01 -0.63 -0.56 0.00 -1.77 0.00 0.00 62.75 59.78 3g0b n ILE 594 Cb 0.14 0.52 -0.07 0.00 -1.44 0.00 0.00 39.64 38.79 3g0b n ILE 594 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 3g0b n ASN 595 N 1.00 2.29 0.00 7.28 4.05 -0.48 0.02 115.26 129.42 3g0b n ASN 595 Ca 0.18 1.08 0.00 0.00 0.45 0.00 0.00 54.58 56.29 3g0b n ASN 595 Cb 0.46 -1.17 0.00 0.00 1.23 0.00 0.00 39.78 40.31 3g0b n ASN 595 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3g0b n ARG 596 N 4.80 -0.48 -2.76 1.20 1.74 0.33 -4.84 116.66 116.65 3g0b n ARG 596 Ca 0.24 0.12 -0.03 0.00 -0.77 0.00 0.00 57.85 57.41 3g0b n ARG 596 Cb 0.15 -3.56 0.06 0.00 -1.02 0.00 0.00 32.46 28.08 3g0b n ARG 596 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3g0b n ARG 597 N -1.69 1.48 -1.76 5.56 5.12 0.10 -4.89 116.66 120.59 3g0b n ARG 597 Ca 0.00 -3.11 -0.39 0.00 -1.93 0.00 0.00 57.85 52.42 3g0b n ARG 597 Cb 0.12 -1.21 0.03 0.00 -1.16 0.00 0.00 32.46 30.24 3g0b n ARG 597 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3g0b s LEU 598 N -3.59 4.03 0.00 0.55 1.43 -1.17 -3.20 118.68 116.72 3g0b s LEU 598 Ca 0.25 2.91 0.00 0.00 -1.03 0.00 0.00 54.13 56.26 3g0b s LEU 598 Cb 0.38 -4.03 0.00 0.00 0.03 0.00 0.00 46.19 42.57 3g0b s LEU 598 CO -0.03 -1.32 0.00 0.61 0.23 0.00 0.00 176.35 175.84 3g0b n GLY 599 N 0.61 0.56 0.00 -3.19 0.00 -1.26 -4.83 105.19 97.09 3g0b n GLY 599 Ca 0.07 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3g0b n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g0b n THR 600 N -3.12 0.00 -0.28 2.61 -2.24 -1.20 -4.82 114.28 105.23 3g0b n THR 600 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 3g0b n THR 600 Cb 0.19 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.58 3g0b n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3g0b h PHE 601 N 0.00 1.10 -0.17 4.78 0.04 -1.93 0.50 116.94 121.27 3g0b h PHE 601 Ca 0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 3g0b h PHE 601 Cb 0.00 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 37.77 3g0b h PHE 601 CO 0.00 0.73 -0.14 1.05 -0.60 0.00 0.00 178.31 179.35 3g0b h GLU 602 N 1.16 0.27 0.09 1.51 9.09 -1.90 -0.81 114.58 123.98 3g0b h GLU 602 Ca 0.30 -0.07 -0.00 0.00 0.05 0.00 0.00 59.36 59.64 3g0b h GLU 602 Cb -0.05 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.01 3g0b h GLU 602 CO -0.06 0.42 -0.04 0.28 0.05 0.00 0.00 179.01 179.66 3g0b h VAL 603 N 0.25 1.16 -0.67 -1.06 2.07 -1.42 -2.93 116.25 113.65 3g0b h VAL 603 Ca 0.05 -1.14 0.07 0.00 0.82 0.00 0.00 66.70 66.50 3g0b h VAL 603 Cb 0.41 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 3g0b h VAL 603 CO 0.02 0.27 0.44 -0.33 0.02 0.00 0.00 177.57 178.00 3g0b h GLU 604 N -0.67 0.64 -0.05 1.57 5.08 -0.88 -2.64 114.58 117.63 3g0b h GLU 604 Ca -0.01 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.14 3g0b h GLU 604 Cb 0.53 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3g0b h GLU 604 CO 0.02 0.42 -0.70 -0.44 -1.00 0.00 0.00 179.01 177.31 3g0b h ASP 605 N 0.66 0.29 -0.73 1.42 3.32 -1.18 0.95 116.42 121.15 3g0b h ASP 605 Ca 0.29 -0.19 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 3g0b h ASP 605 Cb 0.31 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 3g0b h ASP 605 CO -0.09 0.90 0.24 1.56 -1.72 0.00 0.00 179.24 180.12 3g0b h GLN 606 N 0.17 1.14 -0.08 3.56 1.08 -1.28 0.73 115.11 120.43 3g0b h GLN 606 Ca -0.02 -0.24 -0.02 0.00 -1.45 0.00 0.00 58.65 56.92 3g0b h GLN 606 Cb 1.25 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 28.51 3g0b h GLN 606 CO 0.11 0.96 -0.04 0.82 -0.95 0.00 0.00 178.83 179.74 3g0b h ILE 607 N 1.10 1.32 -0.53 2.54 2.04 -1.25 -2.46 117.51 120.26 3g0b h ILE 607 Ca 0.24 -1.04 0.02 0.00 1.00 0.00 0.00 64.86 65.08 3g0b h ILE 607 Cb 0.30 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 3g0b h ILE 607 CO -0.01 0.29 0.33 -0.08 0.00 0.00 0.00 178.15 178.68 3g0b h GLU 608 N -0.21 0.63 -0.48 2.37 4.57 -0.78 -1.68 114.58 119.00 3g0b h GLU 608 Ca 0.02 -0.04 0.10 0.00 -1.18 0.00 0.00 59.36 58.25 3g0b h GLU 608 Cb 0.48 -0.14 -0.10 0.00 -0.16 0.00 0.00 28.75 28.82 3g0b h GLU 608 CO 0.01 0.42 -0.26 0.00 -1.18 0.00 0.00 179.01 177.99 3g0b h ALA 609 N 1.23 0.03 -0.69 2.92 0.00 -0.79 0.22 119.26 122.17 3g0b h ALA 609 Ca 0.21 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 3g0b h ALA 609 Cb 0.00 0.62 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3g0b h ALA 609 CO -0.09 -0.62 0.31 0.00 0.00 0.00 0.00 179.25 178.86 3g0b h ALA 610 N 1.07 1.25 -0.58 0.00 0.00 -1.16 0.40 119.26 120.25 3g0b h ALA 610 Ca 0.22 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3g0b h ALA 610 Cb 0.50 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3g0b h ALA 610 CO -0.58 0.57 0.36 0.00 0.00 0.00 0.00 179.25 179.60 3g0b h ARG 611 N 0.99 0.69 -0.62 0.00 3.08 -0.32 -1.01 114.38 117.19 3g0b h ARG 611 Ca 0.24 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.21 3g0b h ARG 611 Cb 0.13 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3g0b h ARG 611 CO -0.03 0.46 0.25 1.96 -1.07 0.00 0.00 179.97 181.54 3g0b h GLN 612 N 0.72 0.93 -0.72 0.04 1.08 -0.12 -0.81 115.11 116.23 3g0b h GLN 612 Ca 0.23 -0.17 -0.04 0.00 -1.45 0.00 0.00 58.65 57.22 3g0b h GLN 612 Cb -0.01 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.24 3g0b h GLN 612 CO -0.08 0.79 0.29 0.74 -0.95 0.00 0.00 178.83 179.61 3g0b h PHE 613 N 0.87 1.07 -0.57 2.96 0.04 -0.64 -0.88 116.94 119.79 3g0b h PHE 613 Ca 0.21 -0.07 -0.08 0.00 2.80 0.00 0.00 57.97 60.83 3g0b h PHE 613 Cb 0.20 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 3g0b h PHE 613 CO 0.01 0.81 0.04 0.77 -0.60 0.00 0.00 178.31 179.34 3g0b h SER 614 N 1.03 0.92 0.79 2.17 0.02 -0.99 -2.95 113.55 114.54 3g0b h SER 614 Ca 0.24 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3g0b h SER 614 Cb 0.19 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3g0b h SER 614 CO -0.02 0.96 0.00 0.50 -1.14 0.00 0.00 176.83 177.13 3g0b h LYS 615 N 0.89 0.00 0.00 3.45 3.64 -0.17 -2.37 116.57 122.01 3g0b h LYS 615 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3g0b h LYS 615 Cb 0.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3g0b h LYS 615 CO 0.02 0.00 0.00 0.52 -2.27 0.00 0.00 179.45 177.72 3g0b h MET 616 N 0.00 0.00 0.00 1.90 2.86 -1.01 -3.47 114.93 115.20 3g0b h MET 616 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3g0b h MET 616 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3g0b h MET 616 CO 0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 3g0b n GLY 617 N 0.35 0.61 0.53 8.32 0.00 -0.89 -4.87 105.19 109.24 3g0b n GLY 617 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 3g0b n GLY 617 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3g0b n PHE 618 N -2.00 0.47 -4.60 1.61 -1.74 -1.26 -4.80 117.46 105.14 3g0b n PHE 618 Ca 0.00 -1.04 -0.33 0.00 -0.56 0.00 0.00 57.45 55.52 3g0b n PHE 618 Cb 0.00 -0.25 -0.14 0.00 1.52 0.00 0.00 39.48 40.61 3g0b n PHE 618 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 3g0b s VAL 619 N -2.92 3.09 -0.60 1.97 1.01 -1.26 -1.53 120.40 120.16 3g0b s VAL 619 Ca 0.38 -0.64 -0.27 0.00 0.00 0.00 0.00 61.98 61.45 3g0b s VAL 619 Cb 0.32 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 3g0b s VAL 619 CO 0.04 0.51 1.69 -0.62 0.00 0.00 0.00 175.10 176.72 3g0b s ASP 620 N 0.56 5.60 0.00 3.32 3.68 0.13 -4.69 116.67 125.28 3g0b s ASP 620 Ca -0.07 0.27 0.23 0.00 2.13 0.00 0.00 52.55 55.11 3g0b s ASP 620 Cb -0.15 -2.54 1.14 0.00 -1.45 0.00 0.00 42.92 39.92 3g0b s ASP 620 CO 0.03 -2.13 1.76 -0.46 0.13 0.00 0.00 175.17 174.51 3g0b n ASN 621 N 11.49 0.00 0.09 -0.34 6.94 -1.26 -1.06 115.26 131.13 3g0b n ASN 621 Ca 0.16 0.05 0.13 0.00 -0.02 0.00 0.00 54.58 54.91 3g0b n ASN 621 Cb 0.51 -0.32 0.44 0.00 -2.36 0.00 0.00 39.78 38.04 3g0b n ASN 621 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3g0b n LYS 622 N -1.32 0.22 -3.27 -3.83 5.02 -1.26 -4.31 118.16 109.41 3g0b n LYS 622 Ca 0.10 0.21 -0.25 0.00 -2.02 0.00 0.00 58.31 56.36 3g0b n LYS 622 Cb 0.20 -1.77 -0.07 0.00 -0.02 0.00 0.00 35.03 33.37 3g0b n LYS 622 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3g0b n ARG 623 N -2.17 1.62 -4.00 1.97 1.74 -0.22 -4.78 116.66 110.83 3g0b n ARG 623 Ca 0.05 -3.92 -0.34 0.00 -0.77 0.00 0.00 57.85 52.87 3g0b n ARG 623 Cb 0.39 -1.73 -0.15 0.00 -1.02 0.00 0.00 32.46 29.95 3g0b n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3g0b s ILE 624 N -2.00 2.73 0.35 0.55 1.01 -1.25 -0.99 121.20 121.59 3g0b s ILE 624 Ca 0.38 -0.88 0.08 0.00 0.00 0.00 0.00 60.65 60.23 3g0b s ILE 624 Cb 0.18 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 3g0b s ILE 624 CO -0.07 0.35 0.21 0.00 0.00 0.00 0.00 174.94 175.43 3g0b s ALA 625 N 1.35 3.64 -0.02 9.38 0.00 0.12 0.11 121.76 136.34 3g0b s ALA 625 Ca 0.03 -1.81 -0.02 0.00 0.00 0.00 0.00 51.96 50.16 3g0b s ALA 625 Cb -0.15 -0.85 0.01 0.00 0.00 0.00 0.00 23.12 22.13 3g0b s ALA 625 CO -0.07 -0.01 0.05 -1.50 0.00 0.00 0.00 175.76 174.24 3g0b s ILE 626 N -2.41 -0.01 0.12 0.00 2.07 -0.89 -0.44 121.20 119.65 3g0b s ILE 626 Ca 0.40 0.02 -0.10 0.00 -1.41 0.00 0.00 60.65 59.55 3g0b s ILE 626 Cb -0.03 -0.09 0.00 0.00 0.13 0.00 0.00 42.46 42.48 3g0b s ILE 626 CO 0.24 0.01 0.26 -1.66 -1.91 0.00 0.00 174.94 171.88 3g0b s TRP 627 N 0.13 0.15 -0.06 3.50 1.48 -0.01 -1.08 118.94 123.05 3g0b s TRP 627 Ca -0.01 -0.54 -0.31 0.00 -1.06 0.00 0.00 56.10 54.18 3g0b s TRP 627 Cb -0.02 0.01 0.12 0.00 -1.16 0.00 0.00 33.47 32.42 3g0b s TRP 627 CO -0.00 -0.64 1.36 0.20 -4.06 0.00 0.00 176.95 173.81 3g0b s GLY 628 N -2.88 -0.31 0.01 3.67 0.00 -0.87 -1.02 107.32 105.92 3g0b s GLY 628 Ca 0.08 0.46 0.04 0.00 0.00 0.00 0.00 44.72 45.30 3g0b s GLY 628 CO -0.08 3.54 -0.13 0.86 0.00 0.00 0.00 173.10 177.29 3g0b s TRP 629 N -2.08 1.12 0.00 1.90 -0.11 -1.26 -0.96 118.94 117.56 3g0b s TRP 629 Ca 0.24 -0.28 0.00 0.00 1.22 0.00 0.00 56.10 57.28 3g0b s TRP 629 Cb 0.03 -0.69 0.00 0.00 -1.50 0.00 0.00 33.47 31.31 3g0b s TRP 629 CO -0.04 0.00 0.00 0.43 -4.62 0.00 0.00 176.95 172.73 3g0b n SER 630 N 2.35 0.00 -0.23 5.86 7.64 -0.42 -1.60 113.62 127.22 3g0b n SER 630 Ca -0.16 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.81 3g0b n SER 630 Cb 0.55 0.00 0.37 0.00 -1.01 0.00 0.00 64.21 64.12 3g0b n SER 630 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3g0b h TYR 631 N 0.00 0.78 0.00 1.43 3.20 -1.86 -0.59 116.97 119.93 3g0b h TYR 631 Ca 0.00 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 3g0b h TYR 631 Cb 0.00 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 3g0b h TYR 631 CO 0.00 0.36 -0.20 0.78 -1.64 0.00 0.00 178.16 177.45 3g0b h GLY 632 N 0.72 0.00 1.23 1.82 0.00 -1.16 -1.03 103.07 104.65 3g0b h GLY 632 Ca 0.38 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.49 3g0b h GLY 632 CO -0.15 0.00 -0.74 -1.33 0.00 0.00 0.00 176.54 174.32 3g0b h GLY 633 N 1.49 0.84 0.90 4.60 0.00 -1.12 0.53 103.07 110.31 3g0b h GLY 633 Ca -0.00 -1.15 -0.00 0.00 0.00 0.00 0.00 47.33 46.17 3g0b h GLY 633 CO 0.03 1.03 -0.15 -1.82 0.00 0.00 0.00 176.54 175.63 3g0b h TYR 634 N 0.53 -0.39 -0.52 5.60 5.03 -1.14 -1.53 116.97 124.54 3g0b h TYR 634 Ca -0.04 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.24 3g0b h TYR 634 Cb 1.36 0.14 -0.02 0.00 1.55 0.00 0.00 36.73 39.76 3g0b h TYR 634 CO 0.08 -0.24 0.22 0.28 -1.32 0.00 0.00 178.16 177.19 3g0b h VAL 635 N -0.37 1.21 -0.15 1.81 2.07 -1.19 0.91 116.25 120.54 3g0b h VAL 635 Ca -0.02 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 66.91 3g0b h VAL 635 Cb 0.32 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 3g0b h VAL 635 CO 0.01 0.25 -0.28 0.74 0.02 0.00 0.00 177.57 178.31 3g0b h THR 636 N 0.71 0.35 -0.66 2.57 2.02 -0.90 0.27 112.91 117.26 3g0b h THR 636 Ca 0.18 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 3g0b h THR 636 Cb 0.18 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 3g0b h THR 636 CO -0.02 0.00 0.38 0.28 0.37 0.00 0.00 175.52 176.54 3g0b h SER 637 N -0.34 0.81 -0.55 4.18 0.02 -1.03 0.31 113.55 116.96 3g0b h SER 637 Ca 0.11 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3g0b h SER 637 Cb 0.50 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 3g0b h SER 637 CO -0.34 0.65 0.25 0.24 -1.14 0.00 0.00 176.83 176.49 3g0b h MET 638 N 0.90 0.84 -0.11 3.45 2.07 -0.35 0.07 114.93 121.80 3g0b h MET 638 Ca 0.24 -0.12 -0.06 0.00 -2.07 0.00 0.00 59.70 57.69 3g0b h MET 638 Cb 0.00 -0.15 -0.00 0.00 -1.87 0.00 0.00 31.60 29.58 3g0b h MET 638 CO -0.04 0.67 -0.14 0.28 1.07 0.00 0.00 176.91 178.75 3g0b h VAL 639 N 0.83 1.37 0.00 -2.22 2.07 0.01 -2.52 116.25 115.79 3g0b h VAL 639 Ca 0.20 -1.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 3g0b h VAL 639 Cb 0.13 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3g0b h VAL 639 CO -0.02 0.39 -0.10 -0.07 0.02 0.00 0.00 177.57 177.79 3g0b h LEU 640 N -0.11 0.00 -1.87 2.57 3.38 -0.75 -2.14 115.31 116.39 3g0b h LEU 640 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3g0b h LEU 640 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3g0b h LEU 640 CO 0.03 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.27 3g0b n GLY 641 N -0.65 1.31 0.14 0.83 0.00 -0.01 -4.31 105.19 102.51 3g0b n GLY 641 Ca -0.02 -0.58 0.03 0.00 0.00 0.00 0.00 46.02 45.45 3g0b n GLY 641 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3g0b h SER 642 N 3.21 0.00 0.00 1.61 4.64 -0.93 -3.43 113.55 118.65 3g0b h SER 642 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g0b h SER 642 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3g0b h SER 642 CO 0.00 0.47 0.00 0.61 -0.87 0.00 0.00 176.83 177.04 3g0b n GLY 643 N 1.23 0.50 0.27 -0.77 0.00 -1.26 -4.96 105.19 100.20 3g0b n GLY 643 Ca 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 3g0b n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3g0b h SER 644 N 0.00 0.52 0.00 1.61 4.64 -1.92 -3.46 113.55 114.94 3g0b h SER 644 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3g0b h SER 644 Cb 0.00 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 3g0b h SER 644 CO 0.00 0.61 0.00 0.61 -0.87 0.00 0.00 176.83 177.18 3g0b n GLY 645 N -0.80 1.22 0.13 -0.77 0.00 -1.26 -4.91 105.19 98.81 3g0b n GLY 645 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 3g0b n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3g0b h VAL 646 N 0.00 1.41 -3.10 1.61 2.07 -1.95 -3.45 116.25 112.85 3g0b h VAL 646 Ca 0.00 -2.76 -0.62 0.00 0.82 0.00 0.00 66.70 64.14 3g0b h VAL 646 Cb 0.00 2.77 -0.11 0.00 -1.52 0.00 0.00 31.29 32.44 3g0b h VAL 646 CO 0.00 0.82 -0.48 -0.36 0.02 0.00 0.00 177.57 177.56 3g0b s PHE 647 N -2.87 3.46 0.08 1.57 0.40 -1.26 -4.54 117.98 114.83 3g0b s PHE 647 Ca -0.06 0.39 -0.14 0.00 -0.60 0.00 0.00 56.93 56.52 3g0b s PHE 647 Cb 0.07 -2.10 -0.20 0.00 0.51 0.00 0.00 43.02 41.29 3g0b s PHE 647 CO 0.89 0.41 1.23 -0.22 0.70 0.00 0.00 175.22 178.24 3g0b h LYS 648 N 6.21 0.73 -2.88 0.44 3.64 -0.63 -3.45 116.57 120.63 3g0b h LYS 648 Ca -0.45 -0.70 0.06 0.00 -1.27 0.00 0.00 60.65 58.29 3g0b h LYS 648 Cb 1.17 0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 33.14 3g0b h LYS 648 CO 0.71 1.29 0.31 0.00 -2.27 0.00 0.00 179.45 179.49 3g0b s GLY 650 N -3.03 -0.33 -0.16 0.00 0.00 -0.31 -2.09 107.32 101.41 3g0b s GLY 650 Ca 0.14 1.46 0.00 0.00 0.00 0.00 0.00 44.72 46.32 3g0b s GLY 650 CO 0.08 0.48 -0.12 -0.42 0.00 0.00 0.00 173.10 173.12 3g0b s ILE 651 N -2.55 1.52 -0.26 0.90 1.01 -0.25 -1.07 121.20 120.51 3g0b s ILE 651 Ca 0.09 -0.72 -0.09 0.00 0.00 0.00 0.00 60.65 59.92 3g0b s ILE 651 Cb -0.01 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 3g0b s ILE 651 CO -0.05 0.34 0.13 0.00 0.00 0.00 0.00 174.94 175.36 3g0b s ALA 652 N 1.49 3.40 -0.18 9.38 0.00 -0.39 -2.05 121.76 133.40 3g0b s ALA 652 Ca 0.03 -1.05 -0.05 0.00 0.00 0.00 0.00 51.96 50.89 3g0b s ALA 652 Cb -0.14 -2.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.68 3g0b s ALA 652 CO -0.10 -0.42 0.00 0.08 0.00 0.00 0.00 175.76 175.33 3g0b s VAL 653 N 1.50 4.13 -1.50 0.00 1.01 -0.14 -1.43 120.40 123.97 3g0b s VAL 653 Ca 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 3g0b s VAL 653 Cb -0.15 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.39 3g0b s VAL 653 CO 0.07 0.45 0.19 0.00 0.00 0.00 0.00 175.10 175.81 3g0b n ALA 654 N 3.90 -1.99 -1.79 5.51 0.00 0.13 -1.31 120.51 124.96 3g0b n ALA 654 Ca -0.17 -0.35 -0.36 0.00 0.00 0.00 0.00 53.44 52.56 3g0b n ALA 654 Cb 0.52 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.79 3g0b n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3g0b s PRO 655 N -7.04 4.17 0.33 0.00 0.04 -1.26 -3.30 135.00 127.94 3g0b s PRO 655 Ca 0.02 1.40 -0.29 0.00 0.04 0.00 0.00 61.00 62.18 3g0b s PRO 655 Cb -0.01 -2.45 -0.10 0.00 0.04 0.00 0.00 34.50 31.98 3g0b s PRO 655 CO 0.95 -0.12 1.26 0.08 0.04 0.00 0.00 177.00 179.22 3g0b s VAL 656 N -1.78 2.87 -0.07 -0.36 1.01 -1.24 -4.48 120.40 116.35 3g0b s VAL 656 Ca 0.59 0.87 0.04 0.00 0.00 0.00 0.00 61.98 63.48 3g0b s VAL 656 Cb -0.19 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.57 3g0b s VAL 656 CO 0.24 0.20 -0.01 -1.54 0.00 0.00 0.00 175.10 173.99 3g0b n SER 657 N 0.83 3.35 -3.71 3.32 3.41 -1.26 -4.11 113.62 115.45 3g0b n SER 657 Ca 0.00 -0.01 -0.14 0.00 -0.26 0.00 0.00 58.87 58.46 3g0b n SER 657 Cb 0.43 0.41 -0.09 0.00 -0.26 0.00 0.00 64.21 64.70 3g0b n SER 657 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g0b s ARG 658 N -2.16 0.68 0.46 4.33 1.70 -1.26 -0.28 118.95 122.42 3g0b s ARG 658 Ca -0.06 0.16 0.24 0.00 -0.47 0.00 0.00 55.73 55.61 3g0b s ARG 658 Cb 0.02 0.31 1.10 0.00 -0.57 0.00 0.00 34.95 35.82 3g0b s ARG 658 CO 0.25 -0.16 1.92 -1.49 -1.08 0.00 0.00 175.30 174.73 3g0b h TRP 659 N 4.27 0.00 0.00 5.89 4.06 -1.85 -2.17 115.95 126.15 3g0b h TRP 659 Ca -0.28 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.66 3g0b h TRP 659 Cb 1.17 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.33 3g0b h TRP 659 CO 0.46 0.21 -0.02 0.93 -3.56 0.00 0.00 178.44 176.45 3g0b h GLU 660 N 0.00 0.00 0.00 0.49 3.07 -1.89 -1.85 114.58 114.40 3g0b h GLU 660 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3g0b h GLU 660 Cb 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 3g0b h GLU 660 CO 0.03 0.02 0.00 1.88 -1.40 0.00 0.00 179.01 179.54 3g0b h TYR 661 N 0.00 0.00 -1.95 4.33 0.05 -1.75 -3.25 116.97 114.40 3g0b h TYR 661 Ca -0.00 0.00 -0.43 0.00 0.05 0.00 0.00 58.73 58.35 3g0b h TYR 661 Cb 0.19 0.00 0.02 0.00 1.01 0.00 0.00 36.73 37.95 3g0b h TYR 661 CO 0.00 0.00 -0.21 -0.47 -1.05 0.00 0.00 178.16 176.43 3g0b s TYR 662 N -3.17 2.95 0.59 4.88 5.04 -0.69 -4.82 117.35 122.13 3g0b s TYR 662 Ca 0.09 -0.18 -0.17 0.00 -2.44 0.00 0.00 57.07 54.36 3g0b s TYR 662 Cb 0.09 -2.36 -0.03 0.00 0.35 0.00 0.00 41.96 40.00 3g0b s TYR 662 CO 0.63 -0.42 1.12 0.16 -1.34 0.00 0.00 175.55 175.70 3g0b s ASP 663 N -4.31 5.45 0.11 4.32 1.47 -1.26 -0.11 116.67 122.34 3g0b s ASP 663 Ca 0.52 2.10 -0.21 0.00 1.18 0.00 0.00 52.55 56.14 3g0b s ASP 663 Cb -0.10 -2.57 -0.09 0.00 -0.34 0.00 0.00 42.92 39.82 3g0b s ASP 663 CO 0.34 -1.40 1.73 0.77 0.68 0.00 0.00 175.17 177.29 3g0b h SER 664 N 0.67 0.18 -0.38 2.11 4.64 -0.60 -2.49 113.55 117.68 3g0b h SER 664 Ca -0.49 -0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 60.68 3g0b h SER 664 Cb 1.25 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3g0b h SER 664 CO 0.56 0.18 -0.19 -0.37 -0.87 0.00 0.00 176.83 176.14 3g0b h VAL 665 N 0.17 1.28 0.35 0.95 -1.51 -1.93 -0.14 116.25 115.42 3g0b h VAL 665 Ca 0.05 -1.32 -0.02 0.00 -1.23 0.00 0.00 66.70 64.19 3g0b h VAL 665 Cb 0.03 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.52 3g0b h VAL 665 CO -0.01 0.44 -0.17 0.22 -1.23 0.00 0.00 177.57 176.82 3g0b h TYR 666 N 0.60 -0.43 -0.03 5.19 3.20 -1.91 -3.07 116.97 120.52 3g0b h TYR 666 Ca 0.08 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 3g0b h TYR 666 Cb 0.74 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 39.15 3g0b h TYR 666 CO 0.06 -0.10 0.01 1.15 -1.64 0.00 0.00 178.16 177.64 3g0b h THR 667 N -0.80 1.06 0.00 1.81 2.02 -1.35 -2.75 112.91 112.89 3g0b h THR 667 Ca -0.05 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 66.90 3g0b h THR 667 Cb 0.52 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 3g0b h THR 667 CO 0.08 0.05 -0.30 -0.33 0.37 0.00 0.00 175.52 175.39 3g0b h GLU 668 N -0.03 0.00 -0.77 6.66 5.08 -1.17 0.22 114.58 124.57 3g0b h GLU 668 Ca 0.01 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.54 3g0b h GLU 668 Cb 0.06 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 3g0b h GLU 668 CO -0.00 0.30 0.52 -0.09 -1.00 0.00 0.00 179.01 178.74 3g0b h ARG 669 N 0.00 0.30 0.00 2.33 2.43 -1.38 0.09 114.38 118.14 3g0b h ARG 669 Ca -0.00 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 58.97 3g0b h ARG 669 Cb 0.83 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.28 3g0b h ARG 669 CO 0.04 0.20 -1.68 0.66 -1.51 0.00 0.00 179.97 177.68 3g0b n TYR 670 N -4.45 0.00 0.64 2.20 4.01 -0.96 -4.49 117.16 114.11 3g0b n TYR 670 Ca 0.15 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.96 3g0b n TYR 670 Cb 0.63 -0.49 -0.08 0.00 -0.31 0.00 0.00 39.34 39.09 3g0b n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 3g0b n MET 671 N -2.36 2.15 0.00 -0.72 2.81 0.73 0.12 117.12 119.85 3g0b n MET 671 Ca -0.16 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.72 3g0b n MET 671 Cb 0.82 -1.19 0.00 0.00 -0.71 0.00 0.00 33.22 32.14 3g0b n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g0b n GLY 672 N 1.36 0.64 3.87 3.03 0.00 0.01 -4.63 105.19 109.46 3g0b n GLY 672 Ca 0.02 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 3g0b n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g0b s LEU 673 N 0.00 4.40 -0.96 0.99 2.01 -1.26 -4.27 118.68 119.59 3g0b s LEU 673 Ca 0.00 0.57 -0.08 0.00 0.01 0.00 0.00 54.13 54.62 3g0b s LEU 673 Cb 0.00 -2.26 -0.16 0.00 0.01 0.00 0.00 46.19 43.78 3g0b s LEU 673 CO 0.00 0.37 3.20 -0.81 1.01 0.00 0.00 176.35 180.12 3g0b n PRO 674 N 1.80 2.98 -4.38 1.29 -0.04 -1.26 -1.09 135.00 134.31 3g0b n PRO 674 Ca -0.17 -1.70 -0.25 0.00 -0.04 0.00 0.00 63.50 61.34 3g0b n PRO 674 Cb 0.54 -2.47 -0.10 0.00 -0.04 0.00 0.00 33.50 31.44 3g0b n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3g0b s THR 675 N 1.73 2.84 0.61 0.52 -4.23 -1.26 -4.61 115.64 111.25 3g0b s THR 675 Ca 0.68 -2.02 0.33 0.00 -1.18 0.00 0.00 61.69 59.49 3g0b s THR 675 Cb 0.23 -2.45 0.38 0.00 1.34 0.00 0.00 72.50 72.00 3g0b s THR 675 CO -0.04 -0.25 2.24 -0.65 -0.54 0.00 0.00 174.62 175.38 3g0b h PRO 676 N 2.57 0.00 -0.00 3.99 0.11 -1.97 -1.61 132.00 135.09 3g0b h PRO 676 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3g0b h PRO 676 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3g0b h PRO 676 CO 0.56 0.00 -0.19 0.39 -0.21 0.00 0.00 178.00 178.54 3g0b n GLU 677 N -3.62 0.22 0.00 1.05 4.71 -1.26 -4.76 120.64 116.98 3g0b n GLU 677 Ca -0.02 -0.08 0.00 0.00 -0.01 0.00 0.00 57.16 57.05 3g0b n GLU 677 Cb 0.14 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.07 3g0b n GLU 677 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3g0b n ASP 678 N -1.32 0.00 -0.46 1.62 4.64 -0.68 -5.05 116.55 115.29 3g0b n ASP 678 Ca 0.09 0.00 0.05 0.00 -1.38 0.00 0.00 54.79 53.55 3g0b n ASP 678 Cb 0.32 0.00 0.08 0.00 -1.04 0.00 0.00 41.12 40.48 3g0b n ASP 678 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 3g0b n ASN 679 N 0.00 1.27 -0.26 1.67 5.15 -0.25 -4.88 115.26 117.96 3g0b n ASN 679 Ca 0.00 -2.68 0.05 0.00 -0.60 0.00 0.00 54.58 51.35 3g0b n ASN 679 Cb 0.00 -0.35 0.18 0.00 -0.53 0.00 0.00 39.78 39.08 3g0b n ASN 679 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3g0b h LEU 680 N 0.25 0.32 -0.75 1.20 5.85 -1.44 -2.50 115.31 118.24 3g0b h LEU 680 Ca -0.03 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.86 3g0b h LEU 680 Cb 1.25 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.28 3g0b h LEU 680 CO 0.01 0.14 0.43 0.44 -0.34 0.00 0.00 178.44 179.12 3g0b h ASP 681 N 0.48 0.64 0.39 1.25 3.32 -1.90 -0.36 116.42 120.24 3g0b h ASP 681 Ca 0.40 0.03 -0.19 0.00 0.02 0.00 0.00 57.03 57.30 3g0b h ASP 681 Cb 0.58 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3g0b h ASP 681 CO -0.38 0.40 -0.78 -0.74 -1.72 0.00 0.00 179.24 176.03 3g0b h HIS 682 N 0.77 0.43 -0.77 4.55 2.76 -1.83 -0.24 115.15 120.83 3g0b h HIS 682 Ca 0.34 -0.20 0.13 0.00 -2.20 0.00 0.00 60.37 58.44 3g0b h HIS 682 Cb 0.23 -0.06 -0.09 0.00 1.55 0.00 0.00 27.41 29.05 3g0b h HIS 682 CO -0.06 0.97 0.35 1.88 -1.30 0.00 0.00 177.93 179.77 3g0b h TYR 683 N 0.20 0.62 0.00 5.26 0.05 -1.01 -0.15 116.97 121.93 3g0b h TYR 683 Ca -0.04 0.03 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 3g0b h TYR 683 Cb 1.36 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.93 3g0b h TYR 683 CO 0.04 0.14 -0.60 0.00 -1.05 0.00 0.00 178.16 176.68 3g0b h ARG 684 N 0.53 0.00 0.00 4.88 2.47 -0.90 -3.27 114.38 118.09 3g0b h ARG 684 Ca 0.42 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.14 3g0b h ARG 684 Cb 0.58 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 3g0b h ARG 684 CO -0.36 0.60 -0.24 -0.91 0.56 0.00 0.00 179.97 179.62 3g0b h ASN 685 N 0.00 0.00 -0.54 7.04 2.35 -0.16 -3.36 115.58 120.91 3g0b h ASN 685 Ca -0.01 -0.01 -0.25 0.00 -0.55 0.00 0.00 56.30 55.48 3g0b h ASN 685 Cb 1.18 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.40 3g0b h ASN 685 CO 0.08 0.01 0.14 -1.54 -1.65 0.00 0.00 177.43 174.47 3g0b n SER 686 N -2.85 3.13 -4.87 5.81 3.41 -0.15 -4.99 113.62 113.11 3g0b n SER 686 Ca 0.03 -3.61 -0.31 0.00 -0.26 0.00 0.00 58.87 54.72 3g0b n SER 686 Cb 0.52 -0.69 -0.05 0.00 -0.26 0.00 0.00 64.21 63.73 3g0b n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3g0b s THR 687 N -3.20 4.84 0.12 6.66 -4.23 -1.26 -4.75 115.64 113.82 3g0b s THR 687 Ca 0.48 0.57 0.14 0.00 -1.18 0.00 0.00 61.69 61.70 3g0b s THR 687 Cb 0.42 -3.66 0.01 0.00 1.34 0.00 0.00 72.50 70.62 3g0b s THR 687 CO 0.05 -0.24 1.56 -0.37 -0.54 0.00 0.00 174.62 175.07 3g0b h VAL 688 N 1.68 1.18 -0.97 2.29 -1.51 -0.97 -3.30 116.25 114.65 3g0b h VAL 688 Ca -0.47 -2.18 0.10 0.00 -1.23 0.00 0.00 66.70 62.91 3g0b h VAL 688 Cb 1.18 2.26 -0.08 0.00 -2.13 0.00 0.00 31.29 32.52 3g0b h VAL 688 CO 0.66 0.57 0.61 0.24 -1.23 0.00 0.00 177.57 178.42 3g0b h MET 689 N 0.00 0.99 0.00 5.19 2.86 -1.91 -1.94 114.93 120.12 3g0b h MET 689 Ca -0.01 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3g0b h MET 689 Cb 1.22 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.66 3g0b h MET 689 CO 0.08 0.65 0.00 -1.13 1.06 0.00 0.00 176.91 177.57 3g0b n SER 690 N -4.61 0.68 -1.42 1.22 3.41 -1.24 -1.87 113.62 109.78 3g0b n SER 690 Ca 0.17 0.67 0.09 0.00 -0.26 0.00 0.00 58.87 59.54 3g0b n SER 690 Cb 0.29 -0.81 0.33 0.00 -0.26 0.00 0.00 64.21 63.75 3g0b n SER 690 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3g0b n ARG 691 N -2.25 3.57 -0.32 4.33 1.74 -0.73 -4.68 116.66 118.31 3g0b n ARG 691 Ca 0.02 -2.80 0.11 0.00 -0.77 0.00 0.00 57.85 54.41 3g0b n ARG 691 Cb 0.22 -1.82 0.28 0.00 -1.02 0.00 0.00 32.46 30.12 3g0b n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g0b h ALA 692 N 3.65 1.47 -0.81 7.54 0.00 -1.37 -2.40 119.26 127.35 3g0b h ALA 692 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3g0b h ALA 692 Cb 1.38 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 3g0b h ALA 692 CO 0.21 -0.13 0.46 1.49 0.00 0.00 0.00 179.25 181.28 3g0b h GLU 693 N 0.63 1.11 0.00 0.00 4.57 -1.85 -2.13 114.58 116.91 3g0b h GLU 693 Ca 0.53 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.60 3g0b h GLU 693 Cb 0.84 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 3g0b h GLU 693 CO -0.40 0.80 0.00 0.09 -1.18 0.00 0.00 179.01 178.31 3g0b n ASN 694 N -4.36 0.66 0.05 1.04 3.02 -0.90 -2.39 115.26 112.39 3g0b n ASN 694 Ca 0.08 0.67 0.08 0.00 -0.03 0.00 0.00 54.58 55.39 3g0b n ASN 694 Cb 0.08 -0.81 0.36 0.00 -0.61 0.00 0.00 39.78 38.80 3g0b n ASN 694 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3g0b n PHE 695 N -2.24 0.31 0.31 3.10 3.01 -0.80 -1.51 117.46 119.64 3g0b n PHE 695 Ca 0.02 0.13 0.20 0.00 1.01 0.00 0.00 57.45 58.80 3g0b n PHE 695 Cb 0.22 -0.71 1.05 0.00 -0.01 0.00 0.00 39.48 40.03 3g0b n PHE 695 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 3g0b h LYS 696 N 0.00 0.00 -0.02 -1.08 1.57 -1.64 -2.90 116.57 112.50 3g0b h LYS 696 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3g0b h LYS 696 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3g0b h LYS 696 CO 0.00 0.00 -0.10 1.04 -0.57 0.00 0.00 179.45 179.82 3g0b n GLN 697 N -2.90 1.56 -4.07 3.15 6.02 -0.57 -4.95 117.38 115.63 3g0b n GLN 697 Ca -0.03 -1.04 -0.07 0.00 -0.01 0.00 0.00 57.00 55.85 3g0b n GLN 697 Cb 0.12 -1.48 -0.10 0.00 1.02 0.00 0.00 30.24 29.81 3g0b n GLN 697 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3g0b s VAL 698 N -2.15 0.21 -0.20 5.09 -7.23 -1.10 -4.90 120.40 110.11 3g0b s VAL 698 Ca 0.31 -1.74 -0.18 0.00 -1.81 0.00 0.00 61.98 58.56 3g0b s VAL 698 Cb 0.20 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.59 3g0b s VAL 698 CO 0.39 -0.93 0.51 -1.61 -0.31 0.00 0.00 175.10 173.15 3g0b s GLU 699 N -3.92 4.18 -0.07 4.82 2.02 -0.77 -4.98 118.70 119.98 3g0b s GLU 699 Ca 0.08 0.40 0.05 0.00 0.02 0.00 0.00 54.97 55.51 3g0b s GLU 699 Cb 0.08 -3.56 -0.01 0.00 0.10 0.00 0.00 34.13 30.73 3g0b s GLU 699 CO -0.10 -0.15 -0.22 -0.47 0.02 0.00 0.00 175.26 174.34 3g0b s TYR 700 N 1.65 2.54 -0.19 1.61 5.04 -1.26 -1.16 117.35 125.58 3g0b s TYR 700 Ca 0.24 -0.69 0.00 0.00 -2.44 0.00 0.00 57.07 54.18 3g0b s TYR 700 Cb -0.15 -1.65 0.02 0.00 0.35 0.00 0.00 41.96 40.52 3g0b s TYR 700 CO 0.09 -0.20 -0.16 -1.17 -1.34 0.00 0.00 175.55 172.78 3g0b s LEU 701 N -0.09 2.37 -0.18 6.97 2.96 -0.23 0.04 118.68 130.52 3g0b s LEU 701 Ca -0.05 -0.65 -0.03 0.00 -0.22 0.00 0.00 54.13 53.18 3g0b s LEU 701 Cb -0.14 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 3g0b s LEU 701 CO 0.04 -0.02 -0.06 -0.22 -1.32 0.00 0.00 176.35 174.78 3g0b s LEU 702 N 1.31 2.99 -0.05 -0.68 2.96 -0.06 -1.26 118.68 123.90 3g0b s LEU 702 Ca 0.04 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 3g0b s LEU 702 Cb -0.14 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.84 3g0b s LEU 702 CO -0.11 0.09 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.29 3g0b s ILE 703 N 0.83 0.86 -0.16 6.68 1.01 -0.52 -0.92 121.20 128.98 3g0b s ILE 703 Ca -0.02 -0.34 -0.13 0.00 0.00 0.00 0.00 60.65 60.16 3g0b s ILE 703 Cb -0.15 -0.80 0.05 0.00 0.01 0.00 0.00 42.46 41.57 3g0b s ILE 703 CO 0.01 0.28 0.42 -2.28 0.00 0.00 0.00 174.94 173.37 3g0b s HIS 704 N 0.58 -0.50 0.09 3.97 2.46 -0.83 0.17 115.29 121.23 3g0b s HIS 704 Ca -0.10 1.16 -0.30 0.00 0.47 0.00 0.00 55.06 56.29 3g0b s HIS 704 Cb -0.13 0.19 -0.05 0.00 -0.13 0.00 0.00 32.58 32.45 3g0b s HIS 704 CO 0.02 -0.25 0.98 0.20 -2.47 0.00 0.00 174.74 173.22 3g0b s GLY 705 N 0.53 2.95 0.45 1.59 0.00 -1.26 -1.17 107.32 110.41 3g0b s GLY 705 Ca -0.02 0.60 0.21 0.00 0.00 0.00 0.00 44.72 45.50 3g0b s GLY 705 CO -0.03 1.54 1.93 -0.91 0.00 0.00 0.00 173.10 175.63 3g0b h THR 706 N 4.19 0.85 -0.95 0.90 1.35 -0.94 -2.94 112.91 115.36 3g0b h THR 706 Ca -0.43 -0.94 -0.61 0.00 -0.55 0.00 0.00 66.41 63.89 3g0b h THR 706 Cb 1.21 1.56 -0.30 0.00 -1.73 0.00 0.00 68.15 68.89 3g0b h THR 706 CO 0.73 0.23 0.65 0.00 -0.25 0.00 0.00 175.52 176.89 3g0b n ALA 707 N -2.35 5.98 -2.60 6.62 0.00 -0.09 -4.67 120.51 123.40 3g0b n ALA 707 Ca -0.01 -3.35 -0.43 0.00 0.00 0.00 0.00 53.44 49.65 3g0b n ALA 707 Cb 0.34 -1.54 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 3g0b n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3g0b s ASP 708 N -1.87 6.69 0.17 0.00 3.68 -1.11 -4.12 116.67 120.11 3g0b s ASP 708 Ca 0.61 0.57 0.24 0.00 2.13 0.00 0.00 52.55 56.10 3g0b s ASP 708 Cb 0.49 -2.52 0.29 0.00 -1.45 0.00 0.00 42.92 39.73 3g0b s ASP 708 CO 0.02 -1.06 1.30 -2.24 0.13 0.00 0.00 175.17 173.33 3g0b h ASP 709 N 8.79 0.00 0.00 -0.34 2.03 -1.92 -3.34 116.42 121.64 3g0b h ASP 709 Ca -0.23 -0.13 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 3g0b h ASP 709 Cb 1.07 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.57 3g0b h ASP 709 CO 1.06 0.06 0.00 -3.20 -1.03 0.00 0.00 179.24 176.14 3g0b n ASN 710 N -2.34 0.00 -4.39 4.15 4.05 -1.26 -4.76 115.26 110.71 3g0b n ASN 710 Ca 0.03 0.15 -0.41 0.00 0.45 0.00 0.00 54.58 54.80 3g0b n ASN 710 Cb 0.47 -0.31 -0.11 0.00 1.23 0.00 0.00 39.78 41.06 3g0b n ASN 710 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3g0b s VAL 711 N -0.62 4.65 0.31 3.44 0.11 -1.26 -4.78 120.40 122.25 3g0b s VAL 711 Ca 0.00 -0.80 -0.29 0.00 -2.93 0.00 0.00 61.98 57.96 3g0b s VAL 711 Cb 0.00 -3.58 -0.10 0.00 -1.53 0.00 0.00 36.38 31.17 3g0b s VAL 711 CO 0.00 -0.22 1.19 -1.00 -3.33 0.00 0.00 175.10 171.75 3g0b s HIS 712 N 1.57 3.32 0.40 1.54 3.76 -1.25 -4.69 115.29 119.93 3g0b s HIS 712 Ca 0.03 1.57 0.23 0.00 -0.15 0.00 0.00 55.06 56.74 3g0b s HIS 712 Cb -0.19 -3.47 1.30 0.00 1.11 0.00 0.00 32.58 31.34 3g0b s HIS 712 CO 0.07 -1.17 1.63 0.35 -0.85 0.00 0.00 174.74 174.78 3g0b h PHE 713 N 3.55 0.70 -0.46 1.40 3.57 -1.78 0.20 116.94 124.13 3g0b h PHE 713 Ca -0.48 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.18 3g0b h PHE 713 Cb 1.22 -0.18 -0.09 0.00 2.79 0.00 0.00 35.95 39.70 3g0b h PHE 713 CO 0.57 -0.23 -0.00 0.94 -2.23 0.00 0.00 178.31 177.36 3g0b n GLN 714 N -4.89 -0.04 -0.09 1.11 7.27 -1.26 -1.23 117.38 118.26 3g0b n GLN 714 Ca 0.35 0.69 -0.08 0.00 0.07 0.00 0.00 57.00 58.03 3g0b n GLN 714 Cb 1.25 -1.09 -0.01 0.00 2.41 0.00 0.00 30.24 32.81 3g0b n GLN 714 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 3g0b h GLN 715 N 0.00 0.33 0.01 3.69 4.20 -0.91 -1.00 115.11 121.43 3g0b h GLN 715 Ca 0.27 -0.02 -0.21 0.00 0.06 0.00 0.00 58.65 58.76 3g0b h GLN 715 Cb 0.55 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3g0b h GLN 715 CO -0.43 0.22 -0.92 0.77 -0.67 0.00 0.00 178.83 177.80 3g0b h SER 716 N 0.34 0.29 -0.61 1.46 0.02 -1.37 -2.76 113.55 110.92 3g0b h SER 716 Ca 0.13 -0.24 0.02 0.00 -0.84 0.00 0.00 61.79 60.85 3g0b h SER 716 Cb 0.03 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 3g0b h SER 716 CO -0.08 1.06 0.41 0.00 -1.14 0.00 0.00 176.83 177.08 3g0b h ALA 717 N 0.92 1.61 0.00 3.77 0.00 -0.92 0.06 119.26 124.70 3g0b h ALA 717 Ca -0.05 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 3g0b h ALA 717 Cb 1.56 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 3g0b h ALA 717 CO 0.14 0.34 -0.84 1.96 0.00 0.00 0.00 179.25 180.85 3g0b h GLN 718 N 0.78 0.06 0.34 0.00 1.08 -1.16 -2.26 115.11 113.96 3g0b h GLN 718 Ca 0.23 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.35 3g0b h GLN 718 Cb -0.02 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3g0b h GLN 718 CO -0.06 0.87 -0.17 0.82 -0.95 0.00 0.00 178.83 179.34 3g0b h ILE 719 N 0.03 0.67 -0.69 2.54 2.04 -0.99 -2.21 117.51 118.91 3g0b h ILE 719 Ca -0.02 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.61 3g0b h ILE 719 Cb 1.48 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 38.33 3g0b h ILE 719 CO 0.12 0.05 0.43 0.77 0.00 0.00 0.00 178.15 179.52 3g0b h SER 720 N -0.61 0.70 -0.53 1.72 4.64 -1.06 0.02 113.55 118.43 3g0b h SER 720 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3g0b h SER 720 Cb 0.44 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.36 3g0b h SER 720 CO 0.08 0.48 0.34 0.50 -0.87 0.00 0.00 176.83 177.37 3g0b h LYS 721 N 0.84 0.71 -0.71 4.77 3.64 -1.45 0.23 116.57 124.59 3g0b h LYS 721 Ca 0.28 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.55 3g0b h LYS 721 Cb 0.02 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 3g0b h LYS 721 CO -0.11 0.49 0.23 0.00 -2.27 0.00 0.00 179.45 177.78 3g0b h ALA 722 N 1.18 1.05 -0.36 5.00 0.00 -0.67 0.26 119.26 125.71 3g0b h ALA 722 Ca 0.19 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3g0b h ALA 722 Cb -0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3g0b h ALA 722 CO -0.04 0.64 0.03 -0.07 0.00 0.00 0.00 179.25 179.81 3g0b h LEU 723 N 1.06 0.61 -0.87 0.00 3.38 -0.63 -2.76 115.31 116.09 3g0b h LEU 723 Ca 0.23 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3g0b h LEU 723 Cb 0.29 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 3g0b h LEU 723 CO -0.01 0.74 0.57 0.58 0.09 0.00 0.00 178.44 180.41 3g0b h VAL 724 N 0.45 1.16 0.00 1.22 2.07 -0.21 -0.98 116.25 119.95 3g0b h VAL 724 Ca 0.11 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 3g0b h VAL 724 Cb 0.42 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3g0b h VAL 724 CO 0.01 0.20 -0.18 0.44 0.02 0.00 0.00 177.57 178.07 3g0b h ASP 725 N 1.11 0.00 -0.10 0.57 3.45 -0.73 -2.03 116.42 118.69 3g0b h ASP 725 Ca 0.34 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.80 3g0b h ASP 725 Cb -0.02 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.75 3g0b h ASP 725 CO -0.11 0.18 0.00 1.33 -1.57 0.00 0.00 179.24 179.07 3g0b n VAL 726 N -3.75 0.11 -2.24 -1.35 0.24 -1.06 -4.99 118.33 105.30 3g0b n VAL 726 Ca -0.02 -0.56 -0.01 0.00 -2.04 0.00 0.00 64.34 61.71 3g0b n VAL 726 Cb 0.29 1.34 0.00 0.00 -1.47 0.00 0.00 33.84 34.00 3g0b n VAL 726 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3g0b n GLY 727 N 1.23 0.54 3.71 7.63 0.00 -0.76 -4.98 105.19 112.55 3g0b n GLY 727 Ca 0.14 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 3g0b n GLY 727 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g0b s VAL 728 N -2.44 5.32 0.17 1.61 0.11 -0.43 -5.03 120.40 119.71 3g0b s VAL 728 Ca 0.01 0.45 -0.28 0.00 -2.93 0.00 0.00 61.98 59.23 3g0b s VAL 728 Cb -0.01 -3.60 -0.08 0.00 -1.53 0.00 0.00 36.38 31.17 3g0b s VAL 728 CO 0.02 0.37 0.88 -0.62 -3.33 0.00 0.00 175.10 172.42 3g0b s ASP 729 N 0.60 7.50 0.19 3.54 3.68 -1.26 -4.44 116.67 126.48 3g0b s ASP 729 Ca 0.14 1.78 -0.15 0.00 2.13 0.00 0.00 52.55 56.45 3g0b s ASP 729 Cb -0.13 -2.56 0.02 0.00 -1.45 0.00 0.00 42.92 38.80 3g0b s ASP 729 CO 0.03 0.11 0.46 0.72 0.13 0.00 0.00 175.17 176.62 3g0b s PHE 730 N -0.78 0.05 0.03 -5.34 -0.12 -1.26 -4.73 117.98 105.83 3g0b s PHE 730 Ca 0.41 -0.40 -0.11 0.00 -0.05 0.00 0.00 56.93 56.77 3g0b s PHE 730 Cb -0.24 0.26 -0.06 0.00 -0.63 0.00 0.00 43.02 42.36 3g0b s PHE 730 CO 0.29 -0.87 0.37 -0.65 -0.05 0.00 0.00 175.22 174.31 3g0b s GLN 731 N -3.91 3.78 0.13 1.99 -1.52 0.11 -5.01 119.66 115.23 3g0b s GLN 731 Ca 0.12 0.22 0.05 0.00 -1.95 0.00 0.00 55.36 53.80 3g0b s GLN 731 Cb 0.00 -3.10 -0.04 0.00 -0.22 0.00 0.00 33.01 29.65 3g0b s GLN 731 CO -0.01 0.63 -0.12 0.00 -0.25 0.00 0.00 175.29 175.54 3g0b s ALA 732 N -1.25 1.45 -0.25 6.09 0.00 -1.26 -0.89 121.76 125.66 3g0b s ALA 732 Ca 0.28 -1.37 -0.08 0.00 0.00 0.00 0.00 51.96 50.79 3g0b s ALA 732 Cb -0.15 -0.01 0.11 0.00 0.00 0.00 0.00 23.12 23.07 3g0b s ALA 732 CO 0.15 0.00 0.52 1.41 0.00 0.00 0.00 175.76 177.85 3g0b s MET 733 N -3.16 0.44 0.22 0.00 1.75 -0.10 -4.91 119.30 113.54 3g0b s MET 733 Ca 0.12 1.21 -0.06 0.00 -1.25 0.00 0.00 55.69 55.71 3g0b s MET 733 Cb -0.02 0.56 -0.06 0.00 2.84 0.00 0.00 34.83 38.15 3g0b s MET 733 CO 0.02 -0.25 0.48 1.67 -0.65 0.00 0.00 175.02 176.29 3g0b s TRP 734 N 2.74 3.46 -0.32 4.11 -2.14 -1.26 -1.97 118.94 123.56 3g0b s TRP 734 Ca -0.03 0.65 0.01 0.00 2.66 0.00 0.00 56.10 59.39 3g0b s TRP 734 Cb -0.12 -2.09 0.08 0.00 -3.10 0.00 0.00 33.47 28.23 3g0b s TRP 734 CO -0.16 0.30 0.03 0.71 -2.66 0.00 0.00 176.95 175.17 3g0b s TYR 735 N -1.85 3.45 0.01 1.66 2.02 -0.31 -4.93 117.35 117.40 3g0b s TYR 735 Ca 0.43 -2.36 -0.32 0.00 -0.37 0.00 0.00 57.07 54.45 3g0b s TYR 735 Cb -0.11 -2.48 -0.11 0.00 -0.40 0.00 0.00 41.96 38.86 3g0b s TYR 735 CO 0.26 -0.89 1.87 2.41 -1.57 0.00 0.00 175.55 177.62 3g0b n THR 736 N 4.48 0.53 -0.86 -0.71 -1.04 -1.26 -0.87 114.28 114.55 3g0b n THR 736 Ca -0.07 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 3g0b n THR 736 Cb 0.42 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 66.93 3g0b n THR 736 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3g0b n ASP 737 N 6.33 -0.81 -4.83 8.00 10.43 -1.26 -4.87 116.55 129.54 3g0b n ASP 737 Ca 0.20 0.00 -0.33 0.00 2.57 0.00 0.00 54.79 57.24 3g0b n ASP 737 Cb 0.34 -1.03 -0.06 0.00 1.84 0.00 0.00 41.12 42.20 3g0b n ASP 737 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3g0b s GLU 738 N -0.43 4.11 0.00 -1.24 0.41 -0.95 -4.50 118.70 116.10 3g0b s GLU 738 Ca 0.00 0.93 0.00 0.00 -0.41 0.00 0.00 54.97 55.49 3g0b s GLU 738 Cb 0.00 -2.26 0.00 0.00 -1.78 0.00 0.00 34.13 30.09 3g0b s GLU 738 CO 0.00 -0.01 0.00 -0.40 -0.49 0.00 0.00 175.26 174.36 3g0b n ASP 739 N -0.71 0.71 0.25 -0.19 3.85 -1.26 -0.91 116.55 118.29 3g0b n ASP 739 Ca 0.06 0.00 0.09 0.00 -0.71 0.00 0.00 54.79 54.22 3g0b n ASP 739 Cb 0.54 0.00 0.65 0.00 -1.35 0.00 0.00 41.12 40.95 3g0b n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.01 0.00 0.00 177.20 175.45 3g0b h HIS 740 N 0.00 0.00 0.00 2.11 -0.00 -1.91 -1.61 115.15 113.74 3g0b h HIS 740 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3g0b h HIS 740 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 3g0b h HIS 740 CO 0.00 0.09 0.00 0.78 -0.00 0.00 0.00 177.93 178.80 3g0b h GLY 741 N 0.33 0.00 -7.07 5.26 0.00 -1.99 -3.48 103.07 96.13 3g0b h GLY 741 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 3g0b h GLY 741 CO 0.01 0.00 -0.61 1.39 0.00 0.00 0.00 176.54 177.34 3g0b n ILE 742 N -2.65 -1.45 0.33 2.60 5.41 -0.61 -4.84 119.36 118.16 3g0b n ILE 742 Ca 0.04 -0.35 0.03 0.00 1.00 0.00 0.00 62.75 63.47 3g0b n ILE 742 Cb 0.41 -1.24 -0.03 0.00 -0.71 0.00 0.00 39.64 38.06 3g0b n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g0b n ALA 743 N -3.40 2.85 -1.50 -1.39 0.00 -1.26 -3.52 120.51 112.28 3g0b n ALA 743 Ca -0.08 -0.26 -0.43 0.00 0.00 0.00 0.00 53.44 52.66 3g0b n ALA 743 Cb 0.34 -0.26 -0.00 0.00 0.00 0.00 0.00 19.45 19.53 3g0b n ALA 743 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3g0b n SER 744 N -0.88 -0.15 -0.04 0.00 7.64 -1.26 -4.70 113.62 114.23 3g0b n SER 744 Ca 0.02 1.03 -0.09 0.00 1.01 0.00 0.00 58.87 60.85 3g0b n SER 744 Cb 0.13 -1.16 -0.02 0.00 -1.01 0.00 0.00 64.21 62.15 3g0b n SER 744 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 3g0b h SER 745 N 1.23 -0.79 -0.24 6.43 0.87 -1.99 0.28 113.55 119.35 3g0b h SER 745 Ca -0.38 0.14 -0.16 0.00 -1.23 0.00 0.00 61.79 60.15 3g0b h SER 745 Cb 1.38 0.36 -0.00 0.00 -0.44 0.00 0.00 62.40 63.70 3g0b h SER 745 CO 0.55 -0.29 -0.46 0.71 -0.53 0.00 0.00 176.83 176.82 3g0b h THR 746 N -0.27 1.28 -0.45 2.23 1.35 -1.98 -2.35 112.91 112.73 3g0b h THR 746 Ca 0.13 -1.64 -0.09 0.00 -0.55 0.00 0.00 66.41 64.26 3g0b h THR 746 Cb 0.46 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.40 3g0b h THR 746 CO -0.37 0.54 -0.07 0.00 -0.25 0.00 0.00 175.52 175.37 3g0b h ALA 747 N 0.83 0.61 -0.67 6.62 0.00 -1.84 -0.61 119.26 124.21 3g0b h ALA 747 Ca 0.04 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.70 3g0b h ALA 747 Cb 1.03 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 3g0b h ALA 747 CO 0.10 0.47 0.37 1.25 0.00 0.00 0.00 179.25 181.44 3g0b h HIS 748 N 0.67 0.68 -0.47 0.00 2.76 -0.34 0.25 115.15 118.70 3g0b h HIS 748 Ca 0.12 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.20 3g0b h HIS 748 Cb 0.59 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.33 3g0b h HIS 748 CO 0.05 0.32 -0.16 1.96 -1.30 0.00 0.00 177.93 178.79 3g0b h GLN 749 N 0.68 0.91 -0.10 5.26 4.20 -1.35 -3.00 115.11 121.71 3g0b h GLN 749 Ca 0.30 -0.35 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 3g0b h GLN 749 Cb 0.19 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 3g0b h GLN 749 CO -0.18 1.01 -0.04 1.25 -0.67 0.00 0.00 178.83 180.19 3g0b h HIS 750 N 0.80 0.24 -0.59 2.96 2.76 -0.07 -1.44 115.15 119.82 3g0b h HIS 750 Ca 0.12 -0.06 0.03 0.00 -2.20 0.00 0.00 60.37 58.26 3g0b h HIS 750 Cb 0.71 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.57 3g0b h HIS 750 CO 0.04 0.55 0.35 0.97 -1.30 0.00 0.00 177.93 178.54 3g0b h ILE 751 N -0.14 1.06 -0.14 6.26 2.10 -0.60 0.81 117.51 126.87 3g0b h ILE 751 Ca 0.02 -0.24 -0.18 0.00 1.08 0.00 0.00 64.86 65.55 3g0b h ILE 751 Cb 0.48 0.30 -0.00 0.00 -1.09 0.00 0.00 36.82 36.51 3g0b h ILE 751 CO 0.01 0.13 -0.66 1.88 -1.08 0.00 0.00 178.15 178.43 3g0b h TYR 752 N 0.70 0.71 -0.03 2.19 -1.99 -1.51 0.53 116.97 117.56 3g0b h TYR 752 Ca 0.24 -0.28 0.01 0.00 2.00 0.00 0.00 58.73 60.70 3g0b h TYR 752 Cb 0.03 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 38.63 3g0b h TYR 752 CO -0.06 1.04 -0.05 1.15 -0.00 0.00 0.00 178.16 180.24 3g0b h THR 753 N 0.39 0.86 -0.49 -2.88 2.02 -1.12 -1.32 112.91 110.37 3g0b h THR 753 Ca -0.02 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.20 3g0b h THR 753 Cb 1.23 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 3g0b h THR 753 CO 0.12 0.00 0.27 -0.74 0.37 0.00 0.00 175.52 175.54 3g0b h HIS 754 N -0.08 0.49 -0.50 3.16 -0.00 -0.59 -2.22 115.15 115.41 3g0b h HIS 754 Ca 0.03 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.35 3g0b h HIS 754 Cb 0.12 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 3g0b h HIS 754 CO -0.14 0.26 0.04 0.52 -0.00 0.00 0.00 177.93 178.62 3g0b h MET 755 N 0.53 0.81 -0.00 5.26 2.07 -0.86 -2.22 114.93 120.52 3g0b h MET 755 Ca 0.21 -0.20 -0.00 0.00 -2.07 0.00 0.00 59.70 57.64 3g0b h MET 755 Cb 0.07 -0.10 -0.00 0.00 -1.87 0.00 0.00 31.60 29.70 3g0b h MET 755 CO -0.12 0.78 0.00 0.77 1.07 0.00 0.00 176.91 179.41 3g0b h SER 756 N 0.76 0.00 -0.55 1.22 0.02 -0.91 0.51 113.55 114.60 3g0b h SER 756 Ca 0.16 -0.17 0.10 0.00 -0.84 0.00 0.00 61.79 61.04 3g0b h SER 756 Cb 0.40 -0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.86 3g0b h SER 756 CO 0.01 0.17 0.12 0.45 -1.14 0.00 0.00 176.83 176.44 3g0b h HIS 757 N -0.16 0.19 -0.49 3.45 3.86 -1.29 0.24 115.15 120.94 3g0b h HIS 757 Ca 0.00 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 3g0b h HIS 757 Cb 0.17 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 3g0b h HIS 757 CO -0.02 -0.01 0.24 0.35 0.86 0.00 0.00 177.93 179.35 3g0b h PHE 758 N 0.26 0.70 -0.07 2.45 3.57 -1.09 0.64 116.94 123.39 3g0b h PHE 758 Ca 0.28 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 3g0b h PHE 758 Cb 0.40 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 3g0b h PHE 758 CO -0.23 0.55 -0.02 0.82 -2.23 0.00 0.00 178.31 177.19 3g0b h ILE 759 N 0.65 1.30 -0.60 1.41 1.08 -0.31 -0.20 117.51 120.83 3g0b h ILE 759 Ca 0.17 -0.94 0.07 0.00 -0.39 0.00 0.00 64.86 63.76 3g0b h ILE 759 Cb 0.10 1.79 -0.06 0.00 -3.07 0.00 0.00 36.82 35.58 3g0b h ILE 759 CO -0.02 0.26 0.29 0.11 -0.69 0.00 0.00 178.15 178.10 3g0b h LYS 760 N -0.21 0.52 -0.46 2.37 1.57 -0.46 -0.87 116.57 119.03 3g0b h LYS 760 Ca 0.02 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3g0b h LYS 760 Cb 0.42 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3g0b h LYS 760 CO 0.01 0.35 0.25 0.37 -0.57 0.00 0.00 179.45 179.86 3g0b h GLN 761 N 0.54 0.65 -0.87 3.15 5.75 -0.80 0.27 115.11 123.80 3g0b h GLN 761 Ca 0.28 -0.08 0.09 0.00 -0.15 0.00 0.00 58.65 58.80 3g0b h GLN 761 Cb 0.24 -0.13 -0.06 0.00 1.07 0.00 0.00 27.48 28.61 3g0b h GLN 761 CO -0.22 0.51 0.56 0.00 -2.65 0.00 0.00 178.83 177.03 3g0b n PHE 763 N -4.52 0.68 -3.76 0.00 3.72 -0.39 -4.96 117.46 108.23 3g0b n PHE 763 Ca 0.14 -0.34 -0.27 0.00 -0.05 0.00 0.00 57.45 56.93 3g0b n PHE 763 Cb 0.29 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.88 3g0b n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3g0b n SER 764 N 1.48 -5.41 -4.73 4.37 7.64 -0.25 -4.99 113.62 111.73 3g0b n SER 764 Ca 0.21 -0.67 -0.37 0.00 1.01 0.00 0.00 58.87 59.05 3g0b n SER 764 Cb 0.59 -4.43 -0.06 0.00 -1.01 0.00 0.00 64.21 59.30 3g0b n SER 764 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3g0b s LEU 765 N -7.27 4.28 0.00 -3.43 1.43 0.80 -5.02 118.68 109.47 3g0b s LEU 765 Ca 0.61 0.69 0.09 0.00 -1.03 0.00 0.00 54.13 54.49 3g0b s LEU 765 Cb -0.29 -2.55 0.55 0.00 0.03 0.00 0.00 46.19 43.94 3g0b s LEU 765 CO 0.78 0.07 1.00 -0.81 0.23 0.00 0.00 176.35 177.62