#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qoe s ARG 40 N 0.00 2.70 0.87 1.09 1.70 -1.26 -5.04 118.95 119.01 2qoe s ARG 40 Ca 0.00 0.69 -0.12 0.00 -0.47 0.00 0.00 55.73 55.84 2qoe s ARG 40 Cb 0.00 -1.98 0.11 0.00 -0.57 0.00 0.00 34.95 32.51 2qoe s ARG 40 CO 0.00 -1.20 1.10 -1.59 -1.08 0.00 0.00 175.30 172.53 2qoe s LYS 41 N -5.18 1.50 0.40 3.89 -2.85 -1.19 -4.70 119.74 111.60 2qoe s LYS 41 Ca 0.59 0.60 0.08 0.00 -1.00 0.00 0.00 55.97 56.23 2qoe s LYS 41 Cb -0.13 -1.85 -0.02 0.00 -2.06 0.00 0.00 37.83 33.77 2qoe s LYS 41 CO 0.54 -2.02 0.38 0.95 0.10 0.00 0.00 175.35 175.30 2qoe s THR 42 N -3.11 2.86 -0.51 3.79 -4.23 -1.26 -0.47 115.64 112.72 2qoe s THR 42 Ca 0.63 -1.31 -0.27 0.00 -1.18 0.00 0.00 61.69 59.55 2qoe s THR 42 Cb -0.16 -3.04 0.03 0.00 1.34 0.00 0.00 72.50 70.68 2qoe s THR 42 CO 0.55 -0.03 1.06 -0.47 -0.54 0.00 0.00 174.62 175.18 2qoe s TYR 43 N -2.43 2.80 0.63 3.99 5.04 -1.26 -4.84 117.35 121.27 2qoe s TYR 43 Ca 0.47 0.44 -0.00 0.00 -2.44 0.00 0.00 57.07 55.54 2qoe s TYR 43 Cb -0.04 -4.26 0.07 0.00 0.35 0.00 0.00 41.96 38.08 2qoe s TYR 43 CO 0.28 -1.30 0.88 0.95 -1.34 0.00 0.00 175.55 175.02 2qoe s THR 44 N 4.28 2.42 0.20 4.34 -4.23 -1.26 -3.98 115.64 117.40 2qoe s THR 44 Ca 0.41 -0.61 -0.10 0.00 -1.18 0.00 0.00 61.69 60.22 2qoe s THR 44 Cb -0.09 -2.81 0.13 0.00 1.34 0.00 0.00 72.50 71.07 2qoe s THR 44 CO 0.27 0.00 1.78 0.25 -0.54 0.00 0.00 174.62 176.38 2qoe h LEU 45 N -0.22 0.97 -0.78 4.79 5.85 -1.95 -2.43 115.31 121.54 2qoe h LEU 45 Ca -0.40 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.16 2qoe h LEU 45 Cb 1.29 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 2qoe h LEU 45 CO 0.48 0.85 0.42 0.74 -0.34 0.00 0.00 178.44 180.60 2qoe h THR 46 N 1.03 1.23 -0.67 1.05 2.02 -1.98 -1.01 112.91 114.58 2qoe h THR 46 Ca 0.25 -0.58 0.04 0.00 0.77 0.00 0.00 66.41 66.88 2qoe h THR 46 Cb 0.16 0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 66.72 2qoe h THR 46 CO -0.03 0.26 0.40 0.44 0.37 0.00 0.00 175.52 176.97 2qoe h ASP 47 N 1.08 0.63 -0.10 4.18 3.45 -1.89 0.44 116.42 124.21 2qoe h ASP 47 Ca 0.27 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.73 2qoe h ASP 47 Cb 0.04 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 38.68 2qoe h ASP 47 CO -0.04 0.43 0.02 0.22 -1.57 0.00 0.00 179.24 178.29 2qoe h TYR 48 N 0.77 0.18 -0.06 4.55 3.20 -1.11 -2.15 116.97 122.34 2qoe h TYR 48 Ca 0.28 -0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.98 2qoe h TYR 48 Cb 0.09 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2qoe h TYR 48 CO -0.06 0.37 -0.61 -0.07 -1.64 0.00 0.00 178.16 176.16 2qoe h LEU 49 N -0.07 0.24 -1.63 2.82 3.38 -0.84 -3.17 115.31 116.04 2qoe h LEU 49 Ca 0.03 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2qoe h LEU 49 Cb 0.29 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2qoe h LEU 49 CO 0.00 0.79 0.00 0.29 0.09 0.00 0.00 178.44 179.61 2qoe n LYS 50 N -3.86 2.11 -3.83 1.13 4.76 0.15 -4.99 118.16 113.62 2qoe n LYS 50 Ca -0.02 -1.63 -0.28 0.00 -2.87 0.00 0.00 58.31 53.52 2qoe n LYS 50 Cb 0.62 -1.47 0.03 0.00 -1.84 0.00 0.00 35.03 32.38 2qoe n LYS 50 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2qoe n ASN 51 N 0.94 -4.22 -0.31 4.39 5.15 -0.83 -4.89 115.26 115.49 2qoe n ASN 51 Ca 0.16 -0.76 0.11 0.00 -0.60 0.00 0.00 54.58 53.49 2qoe n ASN 51 Cb 0.51 -4.06 0.33 0.00 -0.53 0.00 0.00 39.78 36.03 2qoe n ASN 51 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 2qoe h THR 52 N -2.11 0.84 -3.47 -0.44 2.02 -1.78 -3.35 112.91 104.62 2qoe h THR 52 Ca -0.59 -0.27 -0.70 0.00 0.77 0.00 0.00 66.41 65.63 2qoe h THR 52 Cb 1.37 -0.02 -0.34 0.00 -1.74 0.00 0.00 68.15 67.43 2qoe h THR 52 CO 0.64 0.14 -0.51 -0.31 0.37 0.00 0.00 175.52 175.85 2qoe s TYR 53 N -5.78 3.55 -0.20 3.16 2.02 -1.26 -5.07 117.35 113.77 2qoe s TYR 53 Ca -0.11 -2.38 -0.15 0.00 -0.37 0.00 0.00 57.07 54.06 2qoe s TYR 53 Cb 0.23 -3.26 -0.04 0.00 -0.40 0.00 0.00 41.96 38.48 2qoe s TYR 53 CO 0.80 -0.96 0.37 1.03 -1.57 0.00 0.00 175.55 175.22 2qoe s ARG 54 N 1.04 4.18 0.07 -0.62 0.52 -1.26 -5.06 118.95 117.83 2qoe s ARG 54 Ca 0.09 0.16 -0.31 0.00 -0.52 0.00 0.00 55.73 55.16 2qoe s ARG 54 Cb -0.23 -3.52 -0.07 0.00 0.52 0.00 0.00 34.95 31.65 2qoe s ARG 54 CO -0.04 0.00 1.47 -0.51 0.02 0.00 0.00 175.30 176.25 2qoe s LEU 55 N 1.19 4.35 0.18 2.53 1.02 -1.26 -4.77 118.68 121.92 2qoe s LEU 55 Ca 0.18 2.31 -0.18 0.00 0.02 0.00 0.00 54.13 56.46 2qoe s LEU 55 Cb -0.14 -3.57 -0.08 0.00 0.02 0.00 0.00 46.19 42.42 2qoe s LEU 55 CO 0.07 -0.75 0.67 -0.54 0.02 0.00 0.00 176.35 175.82 2qoe s LYS 56 N 1.96 4.19 0.49 1.70 1.02 -1.26 -5.09 119.74 122.75 2qoe s LYS 56 Ca 0.67 0.77 0.04 0.00 0.02 0.00 0.00 55.97 57.48 2qoe s LYS 56 Cb -0.36 -2.95 -0.01 0.00 -0.52 0.00 0.00 37.83 33.99 2qoe s LYS 56 CO 0.29 0.45 0.16 -0.51 -0.92 0.00 0.00 175.35 174.82 2qoe s LEU 57 N -1.84 2.65 -0.44 3.17 1.02 -1.26 -4.89 118.68 117.08 2qoe s LEU 57 Ca 0.40 -1.38 0.05 0.00 0.02 0.00 0.00 54.13 53.21 2qoe s LEU 57 Cb -0.17 -1.04 0.18 0.00 0.02 0.00 0.00 46.19 45.18 2qoe s LEU 57 CO 0.21 -0.82 0.47 -0.47 0.02 0.00 0.00 176.35 175.75 2qoe s TYR 58 N -2.77 0.09 -0.55 0.29 5.04 -1.26 -4.95 117.35 113.24 2qoe s TYR 58 Ca 0.24 -1.63 -0.23 0.00 -2.44 0.00 0.00 57.07 53.01 2qoe s TYR 58 Cb 0.02 -0.47 0.05 0.00 0.35 0.00 0.00 41.96 41.91 2qoe s TYR 58 CO 0.14 -0.99 0.88 -1.12 -1.34 0.00 0.00 175.55 173.12 2qoe s SER 59 N 0.44 6.30 0.27 4.32 0.01 -1.26 -5.03 113.70 118.76 2qoe s SER 59 Ca 0.31 -0.52 0.07 0.00 1.31 0.00 0.00 55.95 57.12 2qoe s SER 59 Cb 0.01 -2.40 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 2qoe s SER 59 CO -0.13 -1.18 0.21 -1.48 0.41 0.00 0.00 173.24 171.07 2qoe s LEU 60 N 3.69 3.75 -0.21 2.44 0.05 -1.26 -4.61 118.68 122.52 2qoe s LEU 60 Ca 0.27 -0.32 0.00 0.00 0.05 0.00 0.00 54.13 54.13 2qoe s LEU 60 Cb -0.14 -2.30 0.05 0.00 -2.05 0.00 0.00 46.19 41.75 2qoe s LEU 60 CO 0.17 -0.11 -0.06 -0.13 -0.55 0.00 0.00 176.35 175.67 2qoe s ARG 61 N -3.87 1.58 0.14 1.48 0.52 0.19 -4.95 118.95 114.03 2qoe s ARG 61 Ca 0.35 -0.79 -0.31 0.00 -0.52 0.00 0.00 55.73 54.46 2qoe s ARG 61 Cb -0.07 -2.36 -0.09 0.00 0.52 0.00 0.00 34.95 32.95 2qoe s ARG 61 CO 0.25 -0.52 1.47 -1.58 0.02 0.00 0.00 175.30 174.94 2qoe s TRP 62 N 1.50 3.16 -0.43 -0.53 0.52 -1.26 -0.05 118.94 121.85 2qoe s TRP 62 Ca -0.03 0.81 0.09 0.00 0.02 0.00 0.00 56.10 56.99 2qoe s TRP 62 Cb -0.17 -3.79 -0.10 0.00 -1.15 0.00 0.00 33.47 28.25 2qoe s TRP 62 CO -0.07 -2.85 0.39 0.44 0.02 0.00 0.00 176.95 174.89 2qoe n ILE 63 N 3.97 0.00 -2.64 2.03 -5.35 -0.65 -4.92 119.36 111.79 2qoe n ILE 63 Ca 0.13 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 2qoe n ILE 63 Cb 0.41 0.97 0.00 0.00 -1.74 0.00 0.00 39.64 39.28 2qoe n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2qoe n SER 64 N -1.24 0.00 0.11 7.28 3.41 -1.19 -4.97 113.62 117.01 2qoe n SER 64 Ca 0.02 -0.57 0.13 0.00 -0.26 0.00 0.00 58.87 58.19 2qoe n SER 64 Cb 0.15 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.54 2qoe n SER 64 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2qoe n ASP 65 N -0.52 0.71 0.00 4.04 3.85 -1.26 -1.97 116.55 121.39 2qoe n ASP 65 Ca 0.00 0.60 0.00 0.00 -0.71 0.00 0.00 54.79 54.68 2qoe n ASP 65 Cb 0.00 -0.78 0.00 0.00 -1.35 0.00 0.00 41.12 38.99 2qoe n ASP 65 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2qoe n HIS 66 N -2.20 0.00 -4.06 2.11 1.44 -1.26 -4.39 115.22 106.85 2qoe n HIS 66 Ca 0.04 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.66 2qoe n HIS 66 Cb 0.35 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.36 2qoe n HIS 66 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2qoe s GLU 67 N -0.42 0.53 0.05 -1.40 2.02 -1.26 -1.31 118.70 116.91 2qoe s GLU 67 Ca 0.00 -0.93 -0.03 0.00 0.02 0.00 0.00 54.97 54.03 2qoe s GLU 67 Cb 0.00 -0.02 -0.02 0.00 0.10 0.00 0.00 34.13 34.19 2qoe s GLU 67 CO 0.00 -0.04 0.04 1.52 0.02 0.00 0.00 175.26 176.80 2qoe s TYR 68 N -2.46 0.34 -0.13 1.61 -0.85 -0.76 -1.64 117.35 113.47 2qoe s TYR 68 Ca -0.04 -0.77 -0.08 0.00 -0.52 0.00 0.00 57.07 55.66 2qoe s TYR 68 Cb -0.03 -0.25 -0.04 0.00 0.38 0.00 0.00 41.96 42.03 2qoe s TYR 68 CO -0.04 -0.38 0.14 -0.51 -1.52 0.00 0.00 175.55 173.25 2qoe s LEU 69 N -2.52 4.37 -0.10 -3.49 1.43 0.93 -0.03 118.68 119.28 2qoe s LEU 69 Ca 0.01 0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 53.52 2qoe s LEU 69 Cb 0.03 -2.08 0.05 0.00 0.03 0.00 0.00 46.19 44.22 2qoe s LEU 69 CO -0.08 0.38 0.19 -0.47 0.23 0.00 0.00 176.35 176.61 2qoe s TYR 70 N -0.86 -0.26 -0.24 0.29 5.04 -0.53 -0.64 117.35 120.15 2qoe s TYR 70 Ca 0.14 0.72 -0.29 0.00 -2.44 0.00 0.00 57.07 55.21 2qoe s TYR 70 Cb -0.12 -0.16 0.00 0.00 0.35 0.00 0.00 41.96 42.03 2qoe s TYR 70 CO 0.03 -0.29 1.14 0.21 -1.34 0.00 0.00 175.55 175.30 2qoe s LYS 71 N 2.20 4.16 -0.14 4.97 2.20 -1.26 -1.26 119.74 130.62 2qoe s LYS 71 Ca 0.01 1.35 -0.02 0.00 -0.36 0.00 0.00 55.97 56.96 2qoe s LYS 71 Cb -0.12 -3.72 0.04 0.00 -1.51 0.00 0.00 37.83 32.52 2qoe s LYS 71 CO -0.07 -0.78 -0.00 -1.14 -0.36 0.00 0.00 175.35 173.01 2qoe s GLN 72 N 3.50 0.84 -1.12 4.03 0.74 0.10 -4.82 119.66 122.94 2qoe s GLN 72 Ca 0.49 -0.24 -0.06 0.00 0.05 0.00 0.00 55.36 55.59 2qoe s GLN 72 Cb -0.16 -1.65 0.01 0.00 1.10 0.00 0.00 33.01 32.31 2qoe s GLN 72 CO 0.12 -0.46 0.97 0.39 -0.55 0.00 0.00 175.29 175.77 2qoe n GLU 73 N 5.05 -6.53 -0.59 1.67 1.02 -1.26 -2.27 120.64 117.72 2qoe n GLU 73 Ca -0.09 0.70 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 2qoe n GLU 73 Cb 0.48 -5.33 0.00 0.00 -0.02 0.00 0.00 31.44 26.58 2qoe n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2qoe n ASN 74 N -2.35 -0.16 -4.84 1.62 3.02 -1.26 -4.84 115.26 106.45 2qoe n ASN 74 Ca -0.03 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.16 2qoe n ASN 74 Cb 0.56 -2.12 -0.06 0.00 -0.61 0.00 0.00 39.78 37.56 2qoe n ASN 74 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2qoe s ASN 75 N -2.16 6.87 -0.30 6.41 0.01 -0.96 -3.72 114.94 121.09 2qoe s ASN 75 Ca 0.00 1.09 -0.12 0.00 -0.71 0.00 0.00 52.86 53.12 2qoe s ASN 75 Cb 0.00 -2.29 -0.04 0.00 0.41 0.00 0.00 41.25 39.33 2qoe s ASN 75 CO 0.00 0.18 0.25 -0.63 -1.51 0.00 0.00 177.10 175.38 2qoe s ILE 76 N -1.33 5.27 0.14 0.60 1.01 -0.22 0.01 121.20 126.68 2qoe s ILE 76 Ca 0.34 0.10 0.04 0.00 0.00 0.00 0.00 60.65 61.12 2qoe s ILE 76 Cb -0.16 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 2qoe s ILE 76 CO 0.18 0.13 0.17 -0.76 0.00 0.00 0.00 174.94 174.66 2qoe s LEU 77 N 1.82 3.99 -0.14 2.97 1.43 -0.39 0.84 118.68 129.20 2qoe s LEU 77 Ca 0.08 -0.00 -0.02 0.00 -1.03 0.00 0.00 54.13 53.16 2qoe s LEU 77 Cb -0.16 -2.60 -0.02 0.00 0.03 0.00 0.00 46.19 43.44 2qoe s LEU 77 CO 0.11 0.09 -0.08 -0.69 0.23 0.00 0.00 176.35 176.00 2qoe s VAL 78 N -1.68 3.51 -0.09 -1.59 1.01 -0.17 -1.45 120.40 119.95 2qoe s VAL 78 Ca 0.32 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.80 2qoe s VAL 78 Cb -0.11 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 2qoe s VAL 78 CO 0.25 0.51 -0.07 -0.36 0.00 0.00 0.00 175.10 175.43 2qoe s PHE 79 N 0.29 2.94 -0.22 5.22 0.08 0.96 -1.92 117.98 125.33 2qoe s PHE 79 Ca -0.06 -0.09 -0.28 0.00 0.12 0.00 0.00 56.93 56.62 2qoe s PHE 79 Cb -0.15 -1.77 0.00 0.00 -0.57 0.00 0.00 43.02 40.54 2qoe s PHE 79 CO 0.04 0.22 0.98 1.21 -0.10 0.00 0.00 175.22 177.57 2qoe s ASN 80 N -0.50 7.04 0.23 1.36 3.84 -0.27 -1.82 114.94 124.83 2qoe s ASN 80 Ca 0.07 1.30 -0.05 0.00 0.21 0.00 0.00 52.86 54.40 2qoe s ASN 80 Cb -0.12 -2.51 0.23 0.00 -0.55 0.00 0.00 41.25 38.30 2qoe s ASN 80 CO 0.02 -0.60 1.74 0.00 -2.79 0.00 0.00 177.10 175.47 2qoe h ALA 81 N 7.47 1.04 -0.48 1.71 0.00 -1.52 -0.04 119.26 127.43 2qoe h ALA 81 Ca -0.21 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 2qoe h ALA 81 Cb 1.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2qoe h ALA 81 CO 0.94 0.62 0.07 1.49 0.00 0.00 0.00 179.25 182.37 2qoe h GLU 82 N 0.91 0.80 0.00 0.00 4.57 -1.94 -3.35 114.58 115.57 2qoe h GLU 82 Ca 0.18 -0.22 -0.07 0.00 -1.18 0.00 0.00 59.36 58.08 2qoe h GLU 82 Cb 0.40 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 2qoe h GLU 82 CO 0.01 0.81 -1.60 0.66 -1.18 0.00 0.00 179.01 177.71 2qoe n TYR 83 N -4.43 0.00 -0.68 0.92 4.02 -1.22 -5.02 117.16 110.76 2qoe n TYR 83 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2qoe n TYR 83 Cb 0.25 -0.36 0.00 0.00 -0.02 0.00 0.00 39.34 39.22 2qoe n TYR 83 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qoe n GLY 84 N 2.00 0.84 3.78 2.72 0.00 -0.03 -5.05 105.19 109.45 2qoe n GLY 84 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2qoe n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qoe s ASN 85 N -2.98 5.44 0.20 1.61 4.22 -1.26 -4.80 114.94 117.37 2qoe s ASN 85 Ca 0.00 1.99 -0.00 0.00 -2.14 0.00 0.00 52.86 52.71 2qoe s ASN 85 Cb 0.00 -2.55 -0.04 0.00 1.28 0.00 0.00 41.25 39.93 2qoe s ASN 85 CO 0.00 -1.41 0.11 -0.94 -2.04 0.00 0.00 177.10 172.82 2qoe s SER 86 N -2.43 0.45 0.05 3.54 1.04 -1.26 -1.11 113.70 113.98 2qoe s SER 86 Ca 0.67 -1.36 -0.01 0.00 0.48 0.00 0.00 55.95 55.74 2qoe s SER 86 Cb -0.20 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 2qoe s SER 86 CO 0.36 -0.79 -0.03 -0.44 0.98 0.00 0.00 173.24 173.32 2qoe s SER 87 N -3.18 0.48 -0.12 7.02 0.01 -0.81 -4.98 113.70 112.13 2qoe s SER 87 Ca 0.36 -0.90 -0.30 0.00 1.31 0.00 0.00 55.95 56.43 2qoe s SER 87 Cb 0.07 0.17 -0.02 0.00 0.21 0.00 0.00 66.02 66.45 2qoe s SER 87 CO 0.11 -0.53 1.23 -0.69 0.41 0.00 0.00 173.24 173.77 2qoe s VAL 88 N -3.39 4.27 -0.10 3.43 1.01 -1.26 -1.00 120.40 123.36 2qoe s VAL 88 Ca 0.03 1.57 -0.15 0.00 0.00 0.00 0.00 61.98 63.42 2qoe s VAL 88 Cb 0.04 -4.01 -0.28 0.00 0.00 0.00 0.00 36.38 32.14 2qoe s VAL 88 CO -0.08 -0.08 0.57 0.15 0.00 0.00 0.00 175.10 175.67 2qoe h PHE 89 N 7.85 0.47 -2.68 5.22 3.04 0.14 -3.46 116.94 127.52 2qoe h PHE 89 Ca -0.30 -0.34 -0.14 0.00 3.98 0.00 0.00 57.97 61.16 2qoe h PHE 89 Cb 1.13 -0.02 -0.29 0.00 2.56 0.00 0.00 35.95 39.33 2qoe h PHE 89 CO 0.77 1.56 -0.42 -1.17 -2.02 0.00 0.00 178.31 177.03 2qoe s LEU 90 N -7.53 -0.36 0.39 0.59 2.96 -0.71 -5.00 118.68 109.03 2qoe s LEU 90 Ca -0.19 0.82 -0.26 0.00 -0.22 0.00 0.00 54.13 54.27 2qoe s LEU 90 Cb 0.04 1.10 -0.09 0.00 0.50 0.00 0.00 46.19 47.75 2qoe s LEU 90 CO 0.78 -0.22 1.26 -1.61 -1.32 0.00 0.00 176.35 175.23 2qoe s GLU 91 N 2.24 4.05 0.29 1.98 2.02 -1.26 -1.06 118.70 126.96 2qoe s GLU 91 Ca -0.03 2.05 0.04 0.00 0.02 0.00 0.00 54.97 57.06 2qoe s GLU 91 Cb -0.11 -2.77 0.71 0.00 0.10 0.00 0.00 34.13 32.05 2qoe s GLU 91 CO -0.11 -0.39 1.75 -2.95 0.02 0.00 0.00 175.26 173.58 2qoe h ASN 92 N 2.76 0.64 -0.08 -0.19 -1.07 -1.89 -2.83 115.58 112.93 2qoe h ASN 92 Ca -0.49 0.11 0.00 0.00 0.07 0.00 0.00 56.30 55.99 2qoe h ASN 92 Cb 1.24 0.01 0.00 0.00 -2.07 0.00 0.00 38.32 37.50 2qoe h ASN 92 CO 0.63 0.20 0.00 -1.54 0.07 0.00 0.00 177.43 176.79 2qoe n SER 93 N -4.85 0.84 0.08 6.14 3.41 -1.26 -3.78 113.62 114.20 2qoe n SER 93 Ca 0.22 -1.54 0.04 0.00 -0.26 0.00 0.00 58.87 57.33 2qoe n SER 93 Cb 0.58 -0.05 0.43 0.00 -0.26 0.00 0.00 64.21 64.91 2qoe n SER 93 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2qoe h THR 94 N 1.14 1.12 -0.51 6.66 2.02 -1.90 -2.84 112.91 118.61 2qoe h THR 94 Ca 0.00 -0.42 -0.28 0.00 0.77 0.00 0.00 66.41 66.47 2qoe h THR 94 Cb 0.25 0.87 -0.17 0.00 -1.74 0.00 0.00 68.15 67.36 2qoe h THR 94 CO 0.00 0.15 0.03 0.49 0.37 0.00 0.00 175.52 176.56 2qoe n PHE 95 N -4.40 1.61 -0.28 3.16 3.72 -1.25 -4.73 117.46 115.29 2qoe n PHE 95 Ca 0.01 -1.78 0.03 0.00 -0.05 0.00 0.00 57.45 55.66 2qoe n PHE 95 Cb 0.15 -0.61 0.17 0.00 -0.94 0.00 0.00 39.48 38.26 2qoe n PHE 95 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2qoe h ASP 96 N 1.13 0.60 -0.78 4.37 3.32 -1.73 -2.61 116.42 120.72 2qoe h ASP 96 Ca 0.32 0.06 -0.40 0.00 0.02 0.00 0.00 57.03 57.02 2qoe h ASP 96 Cb 1.78 -0.05 -0.24 0.00 0.22 0.00 0.00 39.33 41.04 2qoe h ASP 96 CO 0.59 0.33 0.41 -0.62 -1.72 0.00 0.00 179.24 178.23 2qoe n GLU 97 N -4.79 2.16 -0.16 3.56 4.71 -1.26 -4.68 120.64 120.18 2qoe n GLU 97 Ca 0.13 -3.07 -0.06 0.00 -0.01 0.00 0.00 57.16 54.15 2qoe n GLU 97 Cb 0.30 -2.06 0.11 0.00 -1.01 0.00 0.00 31.44 28.77 2qoe n GLU 97 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 2qoe h PHE 98 N 1.05 0.99 0.00 -0.32 3.57 -1.81 -3.47 116.94 116.95 2qoe h PHE 98 Ca 0.49 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.85 2qoe h PHE 98 Cb 2.47 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 40.94 2qoe h PHE 98 CO 1.41 0.88 0.00 0.41 -2.23 0.00 0.00 178.31 178.78 2qoe n GLY 99 N -0.58 3.23 3.34 2.40 0.00 -1.26 -5.04 105.19 107.29 2qoe n GLY 99 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 2qoe n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qoe s HIS 100 N -2.88 2.18 -0.06 1.61 3.76 -1.26 -5.10 115.29 113.53 2qoe s HIS 100 Ca 0.00 -0.39 -0.30 0.00 -0.15 0.00 0.00 55.06 54.22 2qoe s HIS 100 Cb 0.00 -1.23 -0.04 0.00 1.11 0.00 0.00 32.58 32.42 2qoe s HIS 100 CO 0.00 0.23 1.30 0.45 -0.85 0.00 0.00 174.74 175.87 2qoe s SER 101 N -1.68 6.94 -0.25 1.40 0.15 -1.26 -5.00 113.70 114.01 2qoe s SER 101 Ca 0.11 1.90 -0.23 0.00 0.70 0.00 0.00 55.95 58.44 2qoe s SER 101 Cb -0.10 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.65 2qoe s SER 101 CO 0.04 -0.69 0.75 -0.63 1.20 0.00 0.00 173.24 173.91 2qoe s ILE 102 N 2.68 4.90 0.01 6.45 1.01 -1.26 -4.41 121.20 130.58 2qoe s ILE 102 Ca 0.59 1.39 -0.20 0.00 0.00 0.00 0.00 60.65 62.43 2qoe s ILE 102 Cb -0.26 -4.04 -0.20 0.00 0.01 0.00 0.00 42.46 37.96 2qoe s ILE 102 CO 0.22 -0.03 1.16 -1.13 0.00 0.00 0.00 174.94 175.16 2qoe h ASN 103 N 7.76 0.49 -5.04 3.58 -1.24 -0.23 -3.49 115.58 117.40 2qoe h ASN 103 Ca -0.25 -0.69 0.07 0.00 0.71 0.00 0.00 56.30 56.15 2qoe h ASN 103 Cb 1.11 -0.15 -0.05 0.00 0.73 0.00 0.00 38.32 39.96 2qoe h ASN 103 CO 0.83 1.10 0.27 -0.62 -1.29 0.00 0.00 177.43 177.72 2qoe s ASP 104 N -6.56 -0.22 0.06 1.15 -1.08 -1.14 -5.02 116.67 103.86 2qoe s ASP 104 Ca -0.14 -0.65 0.02 0.00 -0.52 0.00 0.00 52.55 51.27 2qoe s ASP 104 Cb 0.04 0.71 -0.03 0.00 -1.46 0.00 0.00 42.92 42.18 2qoe s ASP 104 CO 0.80 -1.33 -0.07 -0.72 0.52 0.00 0.00 175.17 174.37 2qoe s TYR 105 N -3.65 0.73 -0.18 -5.34 1.13 -1.26 -0.82 117.35 107.95 2qoe s TYR 105 Ca 0.12 -0.70 -0.04 0.00 -1.41 0.00 0.00 57.07 55.04 2qoe s TYR 105 Cb -0.05 -0.44 0.09 0.00 -1.10 0.00 0.00 41.96 40.46 2qoe s TYR 105 CO 0.07 -0.13 0.23 0.45 -2.51 0.00 0.00 175.55 173.66 2qoe s SER 106 N -2.24 1.09 0.01 -0.18 0.15 -0.22 -4.95 113.70 107.37 2qoe s SER 106 Ca -0.01 -0.02 -0.23 0.00 0.70 0.00 0.00 55.95 56.40 2qoe s SER 106 Cb -0.03 0.47 -0.05 0.00 -1.71 0.00 0.00 66.02 64.69 2qoe s SER 106 CO -0.02 -0.30 0.68 -0.63 1.20 0.00 0.00 173.24 174.17 2qoe s ILE 107 N 2.35 4.84 0.62 6.45 1.01 -1.26 0.28 121.20 135.48 2qoe s ILE 107 Ca 0.06 1.44 -0.18 0.00 0.00 0.00 0.00 60.65 61.97 2qoe s ILE 107 Cb -0.15 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 2qoe s ILE 107 CO -0.11 0.38 1.25 -0.94 0.00 0.00 0.00 174.94 175.52 2qoe s SER 108 N -0.04 4.87 0.53 3.58 1.04 0.03 -4.88 113.70 118.84 2qoe s SER 108 Ca 0.35 2.50 0.24 0.00 0.48 0.00 0.00 55.95 59.52 2qoe s SER 108 Cb -0.19 -2.61 1.38 0.00 0.10 0.00 0.00 66.02 64.70 2qoe s SER 108 CO 0.20 -1.82 2.03 -0.65 0.98 0.00 0.00 173.24 173.98 2qoe h PRO 109 N 0.68 0.00 -0.01 4.02 0.11 -1.81 0.13 132.00 135.12 2qoe h PRO 109 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2qoe h PRO 109 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2qoe h PRO 109 CO 0.54 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.93 2qoe n ASP 110 N -4.38 0.68 0.00 -2.05 3.85 -1.16 -4.84 116.55 108.66 2qoe n ASP 110 Ca 0.07 -1.23 0.00 0.00 -0.71 0.00 0.00 54.79 52.92 2qoe n ASP 110 Cb 0.50 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.27 2qoe n ASP 110 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2qoe n GLY 111 N 1.08 0.41 0.11 6.12 0.00 0.45 -4.89 105.19 108.46 2qoe n GLY 111 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.23 2qoe n GLY 111 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2qoe h GLN 112 N 0.97 0.00 -4.85 1.61 4.20 -1.92 -3.46 115.11 111.66 2qoe h GLN 112 Ca 0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 2qoe h GLN 112 Cb 0.26 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 27.83 2qoe h GLN 112 CO 0.00 0.59 -0.74 -0.06 -0.67 0.00 0.00 178.83 177.94 2qoe s PHE 113 N -2.87 0.90 -0.10 2.96 0.08 -1.26 -0.75 117.98 116.94 2qoe s PHE 113 Ca 0.01 -0.55 0.02 0.00 0.12 0.00 0.00 56.93 56.54 2qoe s PHE 113 Cb 0.08 -0.52 0.01 0.00 -0.57 0.00 0.00 43.02 42.03 2qoe s PHE 113 CO 0.78 -0.04 -0.15 -1.50 -0.10 0.00 0.00 175.22 174.22 2qoe s ILE 114 N -1.71 1.43 -0.23 0.64 2.07 -0.62 -0.79 121.20 122.00 2qoe s ILE 114 Ca -0.03 -0.62 -0.21 0.00 -1.41 0.00 0.00 60.65 58.37 2qoe s ILE 114 Cb -0.08 -1.31 -0.02 0.00 0.13 0.00 0.00 42.46 41.19 2qoe s ILE 114 CO 0.00 0.43 0.67 -0.22 -1.91 0.00 0.00 174.94 173.91 2qoe s LEU 115 N 0.85 4.09 -0.31 8.50 2.96 0.14 -1.43 118.68 133.48 2qoe s LEU 115 Ca -0.10 0.82 -0.11 0.00 -0.22 0.00 0.00 54.13 54.52 2qoe s LEU 115 Cb -0.15 -2.93 -0.02 0.00 0.50 0.00 0.00 46.19 43.58 2qoe s LEU 115 CO 0.01 -0.37 0.19 -0.76 -1.32 0.00 0.00 176.35 174.10 2qoe s LEU 116 N 2.39 4.22 -0.20 -0.68 1.02 0.11 -1.05 118.68 124.48 2qoe s LEU 116 Ca 0.29 -0.37 -0.14 0.00 0.02 0.00 0.00 54.13 53.93 2qoe s LEU 116 Cb -0.16 -2.07 -0.04 0.00 0.02 0.00 0.00 46.19 43.94 2qoe s LEU 116 CO 0.09 -0.17 0.30 -0.70 0.02 0.00 0.00 176.35 175.88 2qoe s GLU 117 N 1.68 4.18 0.33 1.70 2.12 -0.00 -1.61 118.70 127.10 2qoe s GLU 117 Ca 0.06 0.04 -0.02 0.00 0.36 0.00 0.00 54.97 55.40 2qoe s GLU 117 Cb -0.17 -3.50 -0.00 0.00 0.26 0.00 0.00 34.13 30.72 2qoe s GLU 117 CO 0.09 0.09 0.44 1.52 -0.54 0.00 0.00 175.26 176.85 2qoe s TYR 118 N 0.94 1.09 -1.57 5.30 1.13 -0.54 0.58 117.35 124.27 2qoe s TYR 118 Ca 0.15 -1.29 -0.15 0.00 -1.41 0.00 0.00 57.07 54.37 2qoe s TYR 118 Cb -0.14 -0.16 0.10 0.00 -1.10 0.00 0.00 41.96 40.67 2qoe s TYR 118 CO 0.05 -1.07 0.93 0.09 -2.51 0.00 0.00 175.55 173.04 2qoe n ASN 119 N -1.28 -4.32 -4.72 -0.18 3.02 -1.26 0.04 115.26 106.55 2qoe n ASN 119 Ca 0.01 -0.84 -0.42 0.00 -0.03 0.00 0.00 54.58 53.31 2qoe n ASN 119 Cb 0.62 -3.61 -0.03 0.00 -0.61 0.00 0.00 39.78 36.15 2qoe n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2qoe s TYR 120 N -3.32 2.96 -0.19 3.10 5.04 -1.26 -4.21 117.35 119.47 2qoe s TYR 120 Ca 0.66 0.45 -0.02 0.00 -2.44 0.00 0.00 57.07 55.72 2qoe s TYR 120 Cb -0.34 -4.07 0.06 0.00 0.35 0.00 0.00 41.96 37.96 2qoe s TYR 120 CO 0.85 -3.99 0.00 0.08 -1.34 0.00 0.00 175.55 171.15 2qoe s VAL 121 N 1.14 0.82 0.35 3.14 1.01 -0.08 -5.00 120.40 121.77 2qoe s VAL 121 Ca 0.73 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 2qoe s VAL 121 Cb -0.48 -1.22 -0.11 0.00 0.00 0.00 0.00 36.38 34.57 2qoe s VAL 121 CO 0.32 -0.12 1.48 1.17 0.00 0.00 0.00 175.10 177.95 2qoe n LYS 122 N 4.94 2.58 0.00 2.72 4.81 -1.26 -1.51 118.16 130.45 2qoe n LYS 122 Ca -0.10 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 2qoe n LYS 122 Cb 0.47 -2.63 0.00 0.00 0.02 0.00 0.00 35.03 32.89 2qoe n LYS 122 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2qoe n GLN 123 N 0.92 0.00 0.00 1.64 7.27 0.25 -4.87 117.38 122.59 2qoe n GLN 123 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.11 2qoe n GLN 123 Cb 0.38 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.03 2qoe n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 2qoe n TRP 124 N 0.00 0.00 -0.23 3.69 5.03 -1.18 -4.93 117.44 119.82 2qoe n TRP 124 Ca 0.00 0.00 -0.05 0.00 3.03 0.00 0.00 57.50 60.48 2qoe n TRP 124 Cb 0.00 0.00 0.11 0.00 -1.03 0.00 0.00 31.31 30.39 2qoe n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 2qoe h ARG 125 N 0.00 1.07 0.00 -0.99 2.43 -1.98 -3.36 114.38 111.55 2qoe h ARG 125 Ca 0.00 -0.21 -0.07 0.00 -0.81 0.00 0.00 59.98 58.89 2qoe h ARG 125 Cb 0.00 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 2qoe h ARG 125 CO 0.00 0.90 -1.28 0.72 -1.51 0.00 0.00 179.97 178.80 2qoe n HIS 126 N -4.27 0.00 -2.35 2.20 8.25 -1.26 -5.06 115.22 112.73 2qoe n HIS 126 Ca 0.06 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.14 2qoe n HIS 126 Cb 0.21 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.10 2qoe n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2qoe s SER 127 N -3.71 6.65 0.21 0.41 1.04 -1.26 -4.68 113.70 112.37 2qoe s SER 127 Ca -0.03 2.29 -0.22 0.00 0.48 0.00 0.00 55.95 58.48 2qoe s SER 127 Cb 0.01 -2.61 0.05 0.00 0.10 0.00 0.00 66.02 63.57 2qoe s SER 127 CO 0.15 -0.58 0.65 -0.72 0.98 0.00 0.00 173.24 173.72 2qoe s TYR 128 N -1.42 -0.36 0.25 5.02 -0.85 -1.26 -0.58 117.35 118.14 2qoe s TYR 128 Ca 0.55 0.04 0.09 0.00 -0.52 0.00 0.00 57.07 57.23 2qoe s TYR 128 Cb -0.30 0.61 -0.04 0.00 0.38 0.00 0.00 41.96 42.62 2qoe s TYR 128 CO 0.37 -1.02 0.01 0.95 -1.52 0.00 0.00 175.55 174.35 2qoe s THR 129 N -3.83 3.59 0.23 -3.49 -4.23 -0.57 -4.61 115.64 102.73 2qoe s THR 129 Ca 0.06 -1.78 -0.19 0.00 -1.18 0.00 0.00 61.69 58.60 2qoe s THR 129 Cb -0.03 -2.90 0.03 0.00 1.34 0.00 0.00 72.50 70.94 2qoe s THR 129 CO -0.04 -0.32 0.61 0.00 -0.54 0.00 0.00 174.62 174.33 2qoe s ALA 130 N -2.19 -1.07 0.21 3.99 0.00 -0.81 -0.91 121.76 120.98 2qoe s ALA 130 Ca 0.31 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.06 2qoe s ALA 130 Cb -0.07 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 2qoe s ALA 130 CO 0.20 -0.90 0.37 -1.12 0.00 0.00 0.00 175.76 174.31 2qoe s SER 131 N -2.89 6.35 -0.01 0.00 0.01 0.11 -1.88 113.70 115.38 2qoe s SER 131 Ca 0.10 0.26 -0.00 0.00 1.31 0.00 0.00 55.95 57.61 2qoe s SER 131 Cb -0.03 -1.95 0.01 0.00 0.21 0.00 0.00 66.02 64.27 2qoe s SER 131 CO 0.01 -0.05 0.03 -0.31 0.41 0.00 0.00 173.24 173.33 2qoe s TYR 132 N -1.90 -0.01 0.11 2.43 1.51 -1.26 -1.47 117.35 116.76 2qoe s TYR 132 Ca 0.36 0.09 0.08 0.00 -1.01 0.00 0.00 57.07 56.59 2qoe s TYR 132 Cb -0.10 -0.08 -0.04 0.00 -0.11 0.00 0.00 41.96 41.63 2qoe s TYR 132 CO 0.30 -0.04 -0.20 -0.51 -1.11 0.00 0.00 175.55 173.99 2qoe s ASP 133 N 0.42 2.49 -0.14 2.29 1.01 -0.63 -4.48 116.67 117.62 2qoe s ASP 133 Ca -0.03 -0.71 -0.02 0.00 0.71 0.00 0.00 52.55 52.50 2qoe s ASP 133 Cb -0.05 -0.13 -0.02 0.00 1.01 0.00 0.00 42.92 43.73 2qoe s ASP 133 CO -0.01 0.03 -0.09 -0.63 0.21 0.00 0.00 175.17 174.67 2qoe s ILE 134 N -1.34 3.38 -0.15 0.77 1.01 -1.26 0.06 121.20 123.67 2qoe s ILE 134 Ca 0.07 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 2qoe s ILE 134 Cb -0.09 -2.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 2qoe s ILE 134 CO 0.04 0.51 -0.07 -0.47 0.00 0.00 0.00 174.94 174.95 2qoe s TYR 135 N 0.36 2.93 -0.27 3.97 5.04 -0.51 -0.37 117.35 128.50 2qoe s TYR 135 Ca -0.08 -0.51 -0.27 0.00 -2.44 0.00 0.00 57.07 53.76 2qoe s TYR 135 Cb -0.15 -1.93 0.01 0.00 0.35 0.00 0.00 41.96 40.23 2qoe s TYR 135 CO 0.05 -0.17 0.96 0.34 -1.34 0.00 0.00 175.55 175.39 2qoe s ASP 136 N 0.50 6.93 0.40 4.32 -1.08 0.76 -1.58 116.67 126.91 2qoe s ASP 136 Ca -0.06 1.11 0.22 0.00 -0.52 0.00 0.00 52.55 53.30 2qoe s ASP 136 Cb -0.15 -2.50 0.53 0.00 -1.46 0.00 0.00 42.92 39.34 2qoe s ASP 136 CO 0.03 -0.68 1.66 -0.07 0.52 0.00 0.00 175.17 176.63 2qoe h LEU 137 N 9.56 0.00 0.07 -1.34 3.38 -1.25 -0.83 115.31 124.89 2qoe h LEU 137 Ca -0.21 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.53 2qoe h LEU 137 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2qoe h LEU 137 CO 0.96 0.23 -1.20 0.78 0.09 0.00 0.00 178.44 179.29 2qoe h ASN 138 N 0.00 0.22 -0.25 -0.43 2.35 -1.92 -3.32 115.58 112.23 2qoe h ASN 138 Ca -0.00 -0.78 0.00 0.00 -0.55 0.00 0.00 56.30 54.97 2qoe h ASN 138 Cb 1.00 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.30 2qoe h ASN 138 CO 0.03 1.51 0.00 2.29 -1.65 0.00 0.00 177.43 179.61 2qoe n LYS 139 N -4.14 1.80 -3.87 0.81 2.85 -1.25 -4.96 118.16 109.40 2qoe n LYS 139 Ca -0.25 -1.22 -0.28 0.00 -1.05 0.00 0.00 58.31 55.50 2qoe n LYS 139 Cb 0.79 -1.36 0.00 0.00 -0.65 0.00 0.00 35.03 33.81 2qoe n LYS 139 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qoe n ARG 140 N 0.46 -2.52 -3.75 -1.58 5.12 -0.37 -4.96 116.66 109.05 2qoe n ARG 140 Ca 0.15 0.41 -0.13 0.00 -1.93 0.00 0.00 57.85 56.35 2qoe n ARG 140 Cb 0.33 -4.30 -0.11 0.00 -1.16 0.00 0.00 32.46 27.22 2qoe n ARG 140 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2qoe s GLN 141 N -6.42 0.39 0.21 5.56 -0.21 -0.86 -4.98 119.66 113.34 2qoe s GLN 141 Ca 0.17 0.51 -0.31 0.00 0.02 0.00 0.00 55.36 55.76 2qoe s GLN 141 Cb -0.07 0.15 -0.10 0.00 1.00 0.00 0.00 33.01 33.99 2qoe s GLN 141 CO 0.88 -0.07 1.53 -0.51 -2.12 0.00 0.00 175.29 175.01 2qoe s LEU 142 N 0.39 4.37 -0.04 2.90 1.43 -1.26 -0.17 118.68 126.30 2qoe s LEU 142 Ca -0.02 2.69 -0.30 0.00 -1.03 0.00 0.00 54.13 55.47 2qoe s LEU 142 Cb -0.04 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 2qoe s LEU 142 CO -0.02 -0.80 1.21 -0.63 0.23 0.00 0.00 176.35 176.35 2qoe s ILE 143 N 0.60 4.20 -0.46 -0.59 1.09 0.50 -4.90 121.20 121.63 2qoe s ILE 143 Ca 0.66 1.53 0.10 0.00 -1.10 0.00 0.00 60.65 61.84 2qoe s ILE 143 Cb -0.44 -3.99 -0.12 0.00 -1.06 0.00 0.00 42.46 36.86 2qoe s ILE 143 CO 0.37 0.01 0.43 0.35 -0.10 0.00 0.00 174.94 176.01 2qoe n THR 144 N 4.54 0.00 -3.58 2.92 -2.24 -1.26 -4.58 114.28 110.07 2qoe n THR 144 Ca 0.11 -0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 61.29 2qoe n THR 144 Cb 0.46 0.95 -0.05 0.00 -2.10 0.00 0.00 70.33 69.59 2qoe n THR 144 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2qoe s GLU 145 N -2.03 3.76 -1.30 -0.78 1.03 -1.26 -4.59 118.70 113.53 2qoe s GLU 145 Ca 0.03 0.18 -0.05 0.00 0.03 0.00 0.00 54.97 55.16 2qoe s GLU 145 Cb 0.08 -3.01 -0.00 0.00 -0.80 0.00 0.00 34.13 30.39 2qoe s GLU 145 CO 0.43 0.57 0.61 0.39 -1.33 0.00 0.00 175.26 175.94 2qoe n GLU 146 N 0.97 -3.28 -2.55 -4.83 -0.58 -1.26 -4.69 120.64 104.43 2qoe n GLU 146 Ca -0.09 0.50 -0.35 0.00 -0.42 0.00 0.00 57.16 56.80 2qoe n GLU 146 Cb 0.52 -4.67 -0.04 0.00 -0.57 0.00 0.00 31.44 26.69 2qoe n GLU 146 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2qoe s ARG 147 N -6.17 3.94 0.22 3.49 0.52 -1.26 -4.80 118.95 114.88 2qoe s ARG 147 Ca 0.13 1.41 -0.32 0.00 -0.52 0.00 0.00 55.73 56.43 2qoe s ARG 147 Cb -0.04 -2.25 -0.13 0.00 0.52 0.00 0.00 34.95 33.05 2qoe s ARG 147 CO 0.85 -0.32 1.60 -0.89 0.02 0.00 0.00 175.30 176.56 2qoe n ILE 148 N -0.65 0.36 -1.31 1.52 5.41 -1.26 -4.97 119.36 118.47 2qoe n ILE 148 Ca 0.08 -0.09 -0.30 0.00 1.00 0.00 0.00 62.75 63.44 2qoe n ILE 148 Cb 0.51 -1.75 0.11 0.00 -0.71 0.00 0.00 39.64 37.81 2qoe n ILE 148 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2qoe s PRO 149 N 0.48 1.73 0.79 0.38 0.04 -1.26 -4.57 135.00 132.59 2qoe s PRO 149 Ca 0.73 0.86 -0.11 0.00 0.04 0.00 0.00 61.00 62.52 2qoe s PRO 149 Cb -0.58 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 32.17 2qoe s PRO 149 CO 0.40 -1.92 1.12 -0.80 0.04 0.00 0.00 177.00 175.84 2qoe s ASN 150 N -3.54 4.12 -1.52 6.66 0.01 -1.26 -3.69 114.94 115.72 2qoe s ASN 150 Ca 0.62 2.00 0.00 0.00 -0.71 0.00 0.00 52.86 54.77 2qoe s ASN 150 Cb -0.17 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 38.95 2qoe s ASN 150 CO 0.56 -2.30 0.00 0.59 -1.51 0.00 0.00 177.10 174.44 2qoe n ASN 151 N -3.50 -5.05 -4.73 -1.22 3.02 -1.18 -4.96 115.26 97.64 2qoe n ASN 151 Ca 0.10 0.05 -0.41 0.00 -0.03 0.00 0.00 54.58 54.29 2qoe n ASN 151 Cb 0.52 -4.12 -0.03 0.00 -0.61 0.00 0.00 39.78 35.54 2qoe n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2qoe s THR 152 N -2.82 3.31 -0.05 3.41 2.01 -0.79 -4.57 115.64 116.13 2qoe s THR 152 Ca 0.00 1.06 0.13 0.00 0.31 0.00 0.00 61.69 63.19 2qoe s THR 152 Cb 0.00 -3.68 -0.23 0.00 0.01 0.00 0.00 72.50 68.60 2qoe s THR 152 CO 0.00 0.15 0.64 0.00 -0.69 0.00 0.00 174.62 174.72 2qoe n GLN 153 N 2.79 0.63 -3.57 4.92 6.02 0.41 -1.93 117.38 126.66 2qoe n GLN 153 Ca 0.06 0.28 -0.16 0.00 -0.01 0.00 0.00 57.00 57.18 2qoe n GLN 153 Cb 0.43 -1.78 -0.06 0.00 1.02 0.00 0.00 30.24 29.85 2qoe n GLN 153 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 2qoe s TRP 154 N -2.60 -0.69 -0.10 1.08 -0.11 -1.19 -4.61 118.94 110.72 2qoe s TRP 154 Ca -0.05 1.39 -0.09 0.00 1.22 0.00 0.00 56.10 58.57 2qoe s TRP 154 Cb 0.08 0.36 0.03 0.00 -1.50 0.00 0.00 33.47 32.44 2qoe s TRP 154 CO 0.83 -0.50 0.27 0.54 -4.62 0.00 0.00 176.95 173.46 2qoe s VAL 155 N -0.59 -0.00 -0.13 5.86 0.11 -1.26 -0.55 120.40 123.84 2qoe s VAL 155 Ca -0.06 0.01 -0.09 0.00 -2.93 0.00 0.00 61.98 58.91 2qoe s VAL 155 Cb -0.02 -0.39 0.04 0.00 -1.53 0.00 0.00 36.38 34.49 2qoe s VAL 155 CO 0.06 0.00 0.32 0.28 -3.33 0.00 0.00 175.10 172.44 2qoe s THR 156 N 0.23 -0.02 0.69 5.04 -1.32 -0.31 -5.01 115.64 114.94 2qoe s THR 156 Ca -0.01 0.07 -0.16 0.00 -1.21 0.00 0.00 61.69 60.38 2qoe s THR 156 Cb -0.02 -0.47 0.02 0.00 -1.51 0.00 0.00 72.50 70.51 2qoe s THR 156 CO -0.00 0.03 1.21 0.26 -2.21 0.00 0.00 174.62 173.90 2qoe s TRP 157 N 0.83 2.17 0.91 9.09 0.52 -1.26 -1.44 118.94 129.75 2qoe s TRP 157 Ca -0.05 1.57 -0.10 0.00 0.02 0.00 0.00 56.10 57.53 2qoe s TRP 157 Cb -0.06 -3.47 0.14 0.00 -1.15 0.00 0.00 33.47 28.93 2qoe s TRP 157 CO -0.06 -2.48 1.12 -1.54 0.02 0.00 0.00 176.95 174.01 2qoe s SER 158 N -1.94 3.04 0.52 2.95 1.04 -0.32 -4.87 113.70 114.12 2qoe s SER 158 Ca 0.75 2.02 0.33 0.00 0.48 0.00 0.00 55.95 59.53 2qoe s SER 158 Cb -0.29 -2.51 1.34 0.00 0.10 0.00 0.00 66.02 64.66 2qoe s SER 158 CO 0.42 -3.00 1.96 -0.65 0.98 0.00 0.00 173.24 172.95 2qoe h PRO 159 N -1.80 0.00 -5.38 4.02 0.11 -1.83 -3.43 132.00 123.70 2qoe h PRO 159 Ca -0.45 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.19 2qoe h PRO 159 Cb 1.27 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.11 2qoe h PRO 159 CO 0.45 0.00 -0.80 0.08 -0.21 0.00 0.00 178.00 177.51 2qoe s VAL 160 N -3.63 1.16 0.00 3.15 1.01 -1.26 -4.76 120.40 116.06 2qoe s VAL 160 Ca 0.01 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2qoe s VAL 160 Cb 0.09 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.45 2qoe s VAL 160 CO 0.52 0.14 0.00 0.61 0.00 0.00 0.00 175.10 176.37 2qoe n GLY 161 N 2.22 1.11 1.89 4.51 0.00 -1.26 -4.48 105.19 109.18 2qoe n GLY 161 Ca -0.16 -0.55 -0.04 0.00 0.00 0.00 0.00 46.02 45.26 2qoe n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2qoe n HIS 162 N 12.50 -0.92 -1.54 1.61 1.44 -1.26 -2.98 115.22 124.07 2qoe n HIS 162 Ca 0.00 -1.15 -0.31 0.00 -2.01 0.00 0.00 57.72 54.25 2qoe n HIS 162 Cb 0.00 0.94 0.06 0.00 0.12 0.00 0.00 29.99 31.11 2qoe n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2qoe s LYS 163 N -0.11 2.71 -0.01 -1.40 1.02 -1.26 -4.55 119.74 116.14 2qoe s LYS 163 Ca 0.07 1.12 0.04 0.00 0.02 0.00 0.00 55.97 57.22 2qoe s LYS 163 Cb 0.24 -1.96 -0.01 0.00 -0.52 0.00 0.00 37.83 35.59 2qoe s LYS 163 CO -0.07 -1.29 -0.13 -0.51 -0.92 0.00 0.00 175.35 172.43 2qoe s LEU 164 N -5.47 2.00 -0.09 3.17 1.43 0.27 -1.17 118.68 118.82 2qoe s LEU 164 Ca 0.61 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 53.50 2qoe s LEU 164 Cb -0.16 -0.71 -0.01 0.00 0.03 0.00 0.00 46.19 45.34 2qoe s LEU 164 CO 0.51 0.16 -0.22 0.00 0.23 0.00 0.00 176.35 177.03 2qoe s ALA 165 N -0.25 2.27 0.08 4.21 0.00 -0.52 -0.75 121.76 126.79 2qoe s ALA 165 Ca 0.04 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2qoe s ALA 165 Cb -0.06 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 2qoe s ALA 165 CO -0.00 0.34 -0.06 1.52 0.00 0.00 0.00 175.76 177.56 2qoe s TYR 166 N 0.10 0.78 -0.13 0.00 1.13 -0.11 -1.16 117.35 117.96 2qoe s TYR 166 Ca -0.11 -0.85 0.01 0.00 -1.41 0.00 0.00 57.07 54.71 2qoe s TYR 166 Cb -0.16 -0.47 -0.01 0.00 -1.10 0.00 0.00 41.96 40.22 2qoe s TYR 166 CO 0.06 -0.17 -0.15 0.08 -2.51 0.00 0.00 175.55 172.86 2qoe s VAL 167 N -3.20 2.81 -0.05 -3.49 1.01 0.29 -0.30 120.40 117.46 2qoe s VAL 167 Ca 0.06 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 2qoe s VAL 167 Cb 0.02 -2.16 0.03 0.00 0.00 0.00 0.00 36.38 34.28 2qoe s VAL 167 CO -0.04 0.53 0.10 0.86 0.00 0.00 0.00 175.10 176.55 2qoe s TRP 168 N 0.42 -0.10 -1.54 5.22 -0.00 -0.52 -0.45 118.94 121.97 2qoe s TRP 168 Ca -0.12 0.35 -0.13 0.00 -0.00 0.00 0.00 56.10 56.21 2qoe s TRP 168 Cb -0.16 -0.12 0.09 0.00 -0.00 0.00 0.00 33.47 33.27 2qoe s TRP 168 CO 0.06 -0.13 0.88 0.09 -0.00 0.00 0.00 176.95 177.85 2qoe n ASN 169 N 4.09 -3.87 0.00 5.86 5.03 -1.26 -2.36 115.26 122.75 2qoe n ASN 169 Ca -0.26 -0.84 0.00 0.00 0.87 0.00 0.00 54.58 54.35 2qoe n ASN 169 Cb 0.52 -3.62 0.00 0.00 -1.02 0.00 0.00 39.78 35.66 2qoe n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2qoe n ASN 170 N -2.83 -2.76 -4.60 6.41 5.03 -1.26 -4.36 115.26 110.89 2qoe n ASN 170 Ca -0.01 0.00 -0.27 0.00 0.87 0.00 0.00 54.58 55.17 2qoe n ASN 170 Cb 0.54 -1.54 -0.09 0.00 -1.02 0.00 0.00 39.78 37.68 2qoe n ASN 170 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2qoe s ASP 171 N -2.20 4.46 -0.06 6.41 -0.00 -1.00 -1.55 116.67 122.72 2qoe s ASP 171 Ca 0.00 -0.48 -0.13 0.00 -0.00 0.00 0.00 52.55 51.94 2qoe s ASP 171 Cb 0.00 -0.84 -0.05 0.00 -0.00 0.00 0.00 42.92 42.03 2qoe s ASP 171 CO 0.00 0.11 0.32 -0.63 -0.00 0.00 0.00 175.17 174.97 2qoe s ILE 172 N -1.63 5.21 0.08 0.77 1.01 -1.26 -1.44 121.20 123.94 2qoe s ILE 172 Ca 0.25 0.63 0.05 0.00 0.00 0.00 0.00 60.65 61.58 2qoe s ILE 172 Cb -0.09 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 2qoe s ILE 172 CO 0.16 0.55 -0.13 -0.31 0.00 0.00 0.00 174.94 175.21 2qoe s TYR 173 N -0.77 1.16 -0.05 3.97 1.51 0.59 0.02 117.35 123.78 2qoe s TYR 173 Ca 0.20 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 55.78 2qoe s TYR 173 Cb -0.15 -0.65 0.02 0.00 -0.11 0.00 0.00 41.96 41.07 2qoe s TYR 173 CO 0.09 0.04 -0.08 0.08 -1.11 0.00 0.00 175.55 174.57 2qoe s VAL 174 N -1.57 0.83 -0.22 0.71 1.01 -0.22 -0.94 120.40 120.01 2qoe s VAL 174 Ca -0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 2qoe s VAL 174 Cb -0.08 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 2qoe s VAL 174 CO 0.02 0.29 -0.04 -0.54 0.00 0.00 0.00 175.10 174.83 2qoe s LYS 175 N 0.76 3.41 0.12 2.72 1.02 0.08 -0.05 119.74 127.79 2qoe s LYS 175 Ca -0.13 -0.61 -0.12 0.00 0.02 0.00 0.00 55.97 55.13 2qoe s LYS 175 Cb -0.15 -3.01 -0.09 0.00 -0.52 0.00 0.00 37.83 34.06 2qoe s LYS 175 CO 0.02 -0.16 1.41 0.82 -0.92 0.00 0.00 175.35 176.51 2qoe h ILE 176 N 5.66 1.27 -4.24 2.17 1.08 -1.85 0.79 117.51 122.40 2qoe h ILE 176 Ca -0.40 -1.71 -0.50 0.00 -0.39 0.00 0.00 64.86 61.86 2qoe h ILE 176 Cb 1.16 1.62 -0.29 0.00 -3.07 0.00 0.00 36.82 36.24 2qoe h ILE 176 CO 0.60 0.56 -0.82 -1.61 -0.69 0.00 0.00 178.15 176.19 2qoe s GLU 177 N -4.15 1.22 0.47 2.37 0.41 -1.26 -4.14 118.70 113.61 2qoe s GLU 177 Ca -0.11 -0.54 0.20 0.00 -0.41 0.00 0.00 54.97 54.12 2qoe s GLU 177 Cb 0.10 -1.18 1.21 0.00 -1.78 0.00 0.00 34.13 32.48 2qoe s GLU 177 CO 0.89 0.32 1.93 -1.35 -0.49 0.00 0.00 175.26 176.57 2qoe h PRO 178 N 5.77 0.24 -0.09 0.39 0.11 -1.86 -1.47 132.00 135.09 2qoe h PRO 178 Ca -0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2qoe h PRO 178 Cb 1.16 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2qoe h PRO 178 CO 0.49 0.16 0.00 0.27 -0.21 0.00 0.00 178.00 178.70 2qoe n ASN 179 N -4.43 1.66 -4.85 -2.05 6.94 -1.26 -4.86 115.26 106.41 2qoe n ASN 179 Ca 0.14 -1.61 -0.24 0.00 -0.02 0.00 0.00 54.58 52.85 2qoe n ASN 179 Cb 0.61 -0.05 -0.04 0.00 -2.36 0.00 0.00 39.78 37.94 2qoe n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2qoe s LEU 180 N -1.81 3.94 0.48 -4.53 1.43 -0.56 -4.60 118.68 113.04 2qoe s LEU 180 Ca 0.35 -0.11 -0.24 0.00 -1.03 0.00 0.00 54.13 53.10 2qoe s LEU 180 Cb 0.20 -2.51 -0.07 0.00 0.03 0.00 0.00 46.19 43.83 2qoe s LEU 180 CO 0.30 0.01 1.42 -2.84 0.23 0.00 0.00 176.35 175.48 2qoe s PRO 181 N -3.50 3.49 0.57 1.29 0.02 -1.26 -4.84 135.00 130.77 2qoe s PRO 181 Ca 0.32 2.39 -0.18 0.00 0.02 0.00 0.00 61.00 63.56 2qoe s PRO 181 Cb -0.09 -2.53 -0.05 0.00 0.02 0.00 0.00 34.50 31.85 2qoe s PRO 181 CO 0.25 -0.96 1.10 -1.54 -0.33 0.00 0.00 177.00 175.52 2qoe s SER 182 N -0.61 5.68 -0.24 2.53 1.04 -1.26 -4.74 113.70 116.10 2qoe s SER 182 Ca 0.65 2.04 -0.10 0.00 0.48 0.00 0.00 55.95 59.02 2qoe s SER 182 Cb -0.43 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.07 2qoe s SER 182 CO 0.55 -1.24 0.16 -0.31 0.98 0.00 0.00 173.24 173.37 2qoe s TYR 183 N -2.03 3.30 -0.20 5.02 2.02 0.92 -4.90 117.35 121.48 2qoe s TYR 183 Ca 0.69 0.20 -0.29 0.00 -0.37 0.00 0.00 57.07 57.30 2qoe s TYR 183 Cb -0.21 -2.27 -0.01 0.00 -0.40 0.00 0.00 41.96 39.07 2qoe s TYR 183 CO 0.31 0.04 1.22 0.50 -1.57 0.00 0.00 175.55 176.04 2qoe s ARG 184 N 1.11 4.19 -0.09 -0.62 6.06 -1.26 -1.05 118.95 127.28 2qoe s ARG 184 Ca 0.07 1.53 -0.15 0.00 -2.50 0.00 0.00 55.73 54.68 2qoe s ARG 184 Cb -0.14 -3.75 -0.28 0.00 0.06 0.00 0.00 34.95 30.84 2qoe s ARG 184 CO 0.05 -0.75 0.58 0.82 -2.50 0.00 0.00 175.30 173.50 2qoe h ILE 185 N 5.56 1.01 -3.75 4.11 1.08 -0.77 -3.40 117.51 121.35 2qoe h ILE 185 Ca -0.25 -2.42 -0.59 0.00 -0.39 0.00 0.00 64.86 61.21 2qoe h ILE 185 Cb 1.09 2.73 -0.21 0.00 -3.07 0.00 0.00 36.82 37.36 2qoe h ILE 185 CO 0.98 0.74 -0.83 0.42 -0.69 0.00 0.00 178.15 178.78 2qoe s THR 186 N -2.50 1.91 0.00 -0.27 -4.23 -1.18 -4.76 115.64 104.62 2qoe s THR 186 Ca -0.19 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 2qoe s THR 186 Cb 0.05 -1.76 0.00 0.00 1.34 0.00 0.00 72.50 72.13 2qoe s THR 186 CO 0.79 -0.07 0.45 0.79 -0.54 0.00 0.00 174.62 176.04 2qoe n TRP 187 N 0.84 0.00 1.13 3.99 7.02 -1.26 -4.44 117.44 124.71 2qoe n TRP 187 Ca -0.17 -0.06 0.12 0.00 -1.02 0.00 0.00 57.50 56.37 2qoe n TRP 187 Cb 0.54 -0.01 0.18 0.00 -2.42 0.00 0.00 31.31 29.61 2qoe n TRP 187 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2qoe n THR 188 N -0.06 0.00 -1.63 -0.99 -2.24 -1.26 -4.98 114.28 103.13 2qoe n THR 188 Ca 0.00 -0.26 -0.48 0.00 -2.27 0.00 0.00 64.05 61.04 2qoe n THR 188 Cb 0.10 0.97 -0.04 0.00 -2.10 0.00 0.00 70.33 69.26 2qoe n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qoe n GLY 189 N 1.36 0.54 3.37 3.38 0.00 -1.26 -4.66 105.19 107.91 2qoe n GLY 189 Ca 0.12 0.57 -0.05 0.00 0.00 0.00 0.00 46.02 46.66 2qoe n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qoe s LYS 190 N -0.01 0.42 -0.18 1.61 2.20 -0.80 -4.89 119.74 118.10 2qoe s LYS 190 Ca 0.75 1.14 -0.41 0.00 -0.36 0.00 0.00 55.97 57.09 2qoe s LYS 190 Cb -0.78 0.48 -0.18 0.00 -1.51 0.00 0.00 37.83 35.84 2qoe s LYS 190 CO 0.48 -0.27 1.46 -1.91 -0.36 0.00 0.00 175.35 174.74 2qoe n GLU 191 N 5.41 0.62 -1.04 4.03 2.13 -1.26 -1.22 120.64 129.31 2qoe n GLU 191 Ca -0.09 0.23 -0.01 0.00 0.66 0.00 0.00 57.16 57.94 2qoe n GLU 191 Cb 0.49 -1.81 -0.01 0.00 0.27 0.00 0.00 31.44 30.38 2qoe n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2qoe n ASP 192 N 3.45 -4.89 0.05 4.31 8.00 -1.26 -4.75 116.55 121.47 2qoe n ASP 192 Ca 0.24 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.77 2qoe n ASP 192 Cb 0.09 -2.49 0.00 0.00 -0.02 0.00 0.00 41.12 38.70 2qoe n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2qoe n ILE 193 N -2.38 0.18 -3.92 0.53 2.08 -0.36 -4.69 119.36 110.79 2qoe n ILE 193 Ca -0.01 0.06 -0.35 0.00 0.56 0.00 0.00 62.75 63.00 2qoe n ILE 193 Cb 0.33 -0.57 -0.14 0.00 -0.75 0.00 0.00 39.64 38.52 2qoe n ILE 193 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2qoe s ILE 194 N -1.41 3.54 -0.33 1.39 -1.09 -0.42 -0.32 121.20 122.57 2qoe s ILE 194 Ca 0.00 -0.44 -0.04 0.00 -2.23 0.00 0.00 60.65 57.94 2qoe s ILE 194 Cb 0.00 -2.62 0.05 0.00 -1.58 0.00 0.00 42.46 38.31 2qoe s ILE 194 CO 0.00 0.41 0.07 -0.31 -1.23 0.00 0.00 174.94 173.88 2qoe s TYR 195 N 1.44 3.27 -0.30 3.97 1.51 -0.09 -1.90 117.35 125.25 2qoe s TYR 195 Ca 0.05 -1.64 -0.12 0.00 -1.01 0.00 0.00 57.07 54.36 2qoe s TYR 195 Cb -0.14 -2.24 -0.04 0.00 -0.11 0.00 0.00 41.96 39.42 2qoe s TYR 195 CO -0.02 -0.77 0.21 -0.80 -1.11 0.00 0.00 175.55 173.07 2qoe s ASN 196 N 1.37 6.04 0.00 2.29 0.01 -0.60 -0.57 114.94 123.48 2qoe s ASN 196 Ca -0.03 -0.17 0.00 0.00 -0.71 0.00 0.00 52.86 51.96 2qoe s ASN 196 Cb -0.20 -2.13 0.00 0.00 0.41 0.00 0.00 41.25 39.33 2qoe s ASN 196 CO 0.01 -0.12 0.00 0.61 -1.51 0.00 0.00 177.10 176.09 2qoe n GLY 197 N 5.07 0.48 3.15 0.66 0.00 -0.32 -4.37 105.19 109.86 2qoe n GLY 197 Ca -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 2qoe n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qoe s ILE 198 N -2.22 0.78 0.35 -0.61 -4.36 -1.26 -0.96 121.20 112.92 2qoe s ILE 198 Ca 0.00 -1.59 -0.06 0.00 -0.26 0.00 0.00 60.65 58.74 2qoe s ILE 198 Cb 0.00 -1.27 -0.05 0.00 1.25 0.00 0.00 42.46 42.39 2qoe s ILE 198 CO 0.00 -0.60 0.64 0.42 0.24 0.00 0.00 174.94 175.64 2qoe s THR 199 N -2.52 4.95 0.43 8.37 -4.23 0.96 -4.69 115.64 118.91 2qoe s THR 199 Ca 0.04 0.18 -0.06 0.00 -1.18 0.00 0.00 61.69 60.66 2qoe s THR 199 Cb -0.02 -3.76 0.10 0.00 1.34 0.00 0.00 72.50 70.15 2qoe s THR 199 CO -0.01 -0.47 0.59 -0.90 -0.54 0.00 0.00 174.62 173.29 2qoe n ASP 200 N -1.28 0.15 -0.03 3.99 5.75 -1.26 -4.77 116.55 119.10 2qoe n ASP 200 Ca -0.01 -1.28 -0.08 0.00 -0.01 0.00 0.00 54.79 53.41 2qoe n ASP 200 Cb 0.54 -0.44 -0.02 0.00 -1.03 0.00 0.00 41.12 40.17 2qoe n ASP 200 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 2qoe h TRP 201 N -1.19 -0.39 0.02 2.11 7.01 -2.00 -1.21 115.95 120.29 2qoe h TRP 201 Ca -0.19 0.03 -0.23 0.00 2.11 0.00 0.00 58.89 60.61 2qoe h TRP 201 Cb 0.55 0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.82 2qoe h TRP 201 CO 0.00 -0.23 -0.98 -0.24 -2.79 0.00 0.00 178.44 174.21 2qoe h VAL 202 N -0.16 1.42 -0.23 2.65 3.04 -1.94 -1.98 116.25 119.04 2qoe h VAL 202 Ca 0.12 -2.53 -0.12 0.00 -1.01 0.00 0.00 66.70 63.16 2qoe h VAL 202 Cb 0.34 2.49 -0.01 0.00 -2.01 0.00 0.00 31.29 32.09 2qoe h VAL 202 CO -0.30 0.75 -0.36 1.88 -1.01 0.00 0.00 177.57 178.54 2qoe h TYR 203 N 0.20 0.60 0.11 3.17 -1.99 -1.93 0.12 116.97 117.25 2qoe h TYR 203 Ca -0.09 -0.16 -0.01 0.00 2.00 0.00 0.00 58.73 60.48 2qoe h TYR 203 Cb 1.62 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 40.22 2qoe h TYR 203 CO 0.06 0.80 -0.05 1.49 -0.00 0.00 0.00 178.16 180.46 2qoe h GLU 204 N 0.43 -0.15 -0.07 4.88 4.81 -1.11 -1.26 114.58 122.11 2qoe h GLU 204 Ca 0.05 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 2qoe h GLU 204 Cb 0.83 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.24 2qoe h GLU 204 CO 0.07 0.07 -0.14 1.49 -0.73 0.00 0.00 179.01 179.77 2qoe h GLU 205 N -0.34 0.23 0.00 1.92 4.57 -1.34 -2.08 114.58 117.54 2qoe h GLU 205 Ca -0.02 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 2qoe h GLU 205 Cb 0.28 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2qoe h GLU 205 CO 0.03 0.73 -1.10 0.39 -1.18 0.00 0.00 179.01 177.87 2qoe n GLU 206 N -4.61 1.41 0.02 1.92 -0.58 0.40 -4.48 120.64 114.72 2qoe n GLU 206 Ca -0.08 -0.06 -0.01 0.00 -0.42 0.00 0.00 57.16 56.60 2qoe n GLU 206 Cb 0.37 -1.27 -0.00 0.00 -0.57 0.00 0.00 31.44 29.97 2qoe n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2qoe n VAL 207 N -1.62 0.82 0.63 2.62 0.31 -1.05 -4.88 118.33 115.16 2qoe n VAL 207 Ca 0.01 0.27 0.11 0.00 -0.01 0.00 0.00 64.34 64.71 2qoe n VAL 207 Cb 0.30 -1.46 0.02 0.00 -0.91 0.00 0.00 33.84 31.79 2qoe n VAL 207 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2qoe n PHE 208 N -3.22 0.21 -4.05 3.52 3.72 -0.50 -4.98 117.46 112.16 2qoe n PHE 208 Ca -0.01 0.06 -0.28 0.00 -0.05 0.00 0.00 57.45 57.17 2qoe n PHE 208 Cb 0.04 -0.38 -0.03 0.00 -0.94 0.00 0.00 39.48 38.17 2qoe n PHE 208 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2qoe n SER 209 N -1.89 -0.91 -3.58 4.37 7.64 -0.79 -4.93 113.62 113.52 2qoe n SER 209 Ca 0.02 -1.03 -0.08 0.00 1.01 0.00 0.00 58.87 58.79 2qoe n SER 209 Cb 0.42 -2.85 -0.04 0.00 -1.01 0.00 0.00 64.21 60.72 2qoe n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qoe s ALA 210 N -3.84 -1.97 0.09 -0.43 0.00 -1.16 -4.98 121.76 109.47 2qoe s ALA 210 Ca 0.18 1.60 0.08 0.00 0.00 0.00 0.00 51.96 53.82 2qoe s ALA 210 Cb -0.10 -0.73 -0.21 0.00 0.00 0.00 0.00 23.12 22.09 2qoe s ALA 210 CO 0.91 -0.35 1.20 -0.92 0.00 0.00 0.00 175.76 176.60 2qoe h TYR 211 N 2.38 0.00 -3.79 0.00 3.20 -1.88 -3.38 116.97 113.51 2qoe h TYR 211 Ca -0.16 0.00 -0.52 0.00 3.14 0.00 0.00 58.73 61.19 2qoe h TYR 211 Cb 1.17 0.00 0.05 0.00 1.54 0.00 0.00 36.73 39.49 2qoe h TYR 211 CO 0.27 0.99 0.61 0.45 -1.64 0.00 0.00 178.16 178.83 2qoe s SER 212 N -6.61 6.89 -0.34 -2.11 0.15 -1.26 -0.03 113.70 110.39 2qoe s SER 212 Ca 0.00 2.56 0.15 0.00 0.70 0.00 0.00 55.95 59.36 2qoe s SER 212 Cb 0.10 -2.64 0.46 0.00 -1.71 0.00 0.00 66.02 62.23 2qoe s SER 212 CO 0.82 -0.46 1.04 0.00 1.20 0.00 0.00 173.24 175.84 2qoe n ALA 213 N 1.16 3.83 -2.74 5.45 0.00 -0.14 -4.61 120.51 123.46 2qoe n ALA 213 Ca 0.01 -3.42 -0.28 0.00 0.00 0.00 0.00 53.44 49.75 2qoe n ALA 213 Cb 0.42 -0.77 -0.16 0.00 0.00 0.00 0.00 19.45 18.94 2qoe n ALA 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qoe s LEU 214 N -3.39 1.99 -0.25 0.00 1.43 -1.24 -1.95 118.68 115.25 2qoe s LEU 214 Ca 0.34 -0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 53.01 2qoe s LEU 214 Cb 0.42 -1.10 0.08 0.00 0.03 0.00 0.00 46.19 45.62 2qoe s LEU 214 CO -0.03 0.20 0.11 0.26 0.23 0.00 0.00 176.35 177.12 2qoe s TRP 215 N -0.14 0.50 0.34 0.29 0.51 0.13 -4.99 118.94 115.57 2qoe s TRP 215 Ca -0.01 -0.81 -0.29 0.00 -2.12 0.00 0.00 56.10 52.88 2qoe s TRP 215 Cb -0.11 -0.94 -0.10 0.00 -0.81 0.00 0.00 33.47 31.51 2qoe s TRP 215 CO 0.02 -0.72 1.34 -1.58 -0.51 0.00 0.00 176.95 175.50 2qoe s TRP 216 N 2.04 2.97 0.77 -1.98 0.52 -1.26 -0.29 118.94 121.71 2qoe s TRP 216 Ca 0.06 1.36 -0.11 0.00 0.02 0.00 0.00 56.10 57.43 2qoe s TRP 216 Cb -0.16 -3.74 0.06 0.00 -1.15 0.00 0.00 33.47 28.47 2qoe s TRP 216 CO -0.25 -2.07 1.11 -1.54 0.02 0.00 0.00 176.95 174.21 2qoe s SER 217 N -0.40 4.40 0.49 2.95 1.04 -0.10 -4.90 113.70 117.17 2qoe s SER 217 Ca 0.50 1.92 0.20 0.00 0.48 0.00 0.00 55.95 59.05 2qoe s SER 217 Cb -0.41 -2.53 1.24 0.00 0.10 0.00 0.00 66.02 64.41 2qoe s SER 217 CO 0.54 -2.11 2.00 -0.65 0.98 0.00 0.00 173.24 174.00 2qoe h PRO 218 N -0.99 0.17 -0.52 4.02 0.11 -1.90 0.11 132.00 133.00 2qoe h PRO 218 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2qoe h PRO 218 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2qoe h PRO 218 CO 0.50 0.11 0.00 0.27 -0.21 0.00 0.00 178.00 178.67 2qoe n ASN 219 N -4.43 3.39 0.00 -2.05 0.23 -1.26 -4.43 115.26 106.70 2qoe n ASN 219 Ca 0.09 -1.99 0.00 0.00 -0.53 0.00 0.00 54.58 52.15 2qoe n ASN 219 Cb 0.48 -0.35 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 2qoe n ASN 219 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qoe n GLY 220 N 1.04 0.77 0.13 4.83 0.00 0.03 -4.71 105.19 107.28 2qoe n GLY 220 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 2qoe n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qoe h THR 221 N 0.00 0.81 -3.26 2.61 2.02 -1.94 -3.45 112.91 109.70 2qoe h THR 221 Ca 0.00 0.00 -0.65 0.00 0.77 0.00 0.00 66.41 66.53 2qoe h THR 221 Cb 0.00 0.81 -0.11 0.00 -1.74 0.00 0.00 68.15 67.11 2qoe h THR 221 CO 0.00 0.00 -0.63 -0.36 0.37 0.00 0.00 175.52 174.90 2qoe s PHE 222 N -6.16 3.11 -0.22 3.16 0.08 -1.26 -0.89 117.98 115.80 2qoe s PHE 222 Ca -0.14 0.06 0.01 0.00 0.12 0.00 0.00 56.93 56.98 2qoe s PHE 222 Cb 0.06 -1.61 0.05 0.00 -0.57 0.00 0.00 43.02 40.95 2qoe s PHE 222 CO 0.65 0.50 -0.10 -1.17 -0.10 0.00 0.00 175.22 175.00 2qoe s LEU 223 N -2.15 2.66 0.20 -0.37 2.96 -0.21 -0.93 118.68 120.85 2qoe s LEU 223 Ca 0.26 -1.08 -0.13 0.00 -0.22 0.00 0.00 54.13 52.95 2qoe s LEU 223 Cb -0.12 -1.33 -0.07 0.00 0.50 0.00 0.00 46.19 45.17 2qoe s LEU 223 CO 0.18 -0.17 0.59 0.00 -1.32 0.00 0.00 176.35 175.63 2qoe s ALA 224 N 1.30 3.52 0.00 5.97 0.00 0.60 -1.52 121.76 131.65 2qoe s ALA 224 Ca -0.04 -0.12 -0.24 0.00 0.00 0.00 0.00 51.96 51.56 2qoe s ALA 224 Cb -0.18 -2.56 0.05 0.00 0.00 0.00 0.00 23.12 20.44 2qoe s ALA 224 CO -0.07 0.44 0.53 1.52 0.00 0.00 0.00 175.76 178.18 2qoe s TYR 225 N -1.65 -0.45 0.04 0.00 1.13 -0.05 0.19 117.35 116.56 2qoe s TYR 225 Ca 0.43 0.65 0.01 0.00 -1.41 0.00 0.00 57.07 56.75 2qoe s TYR 225 Cb -0.13 0.32 -0.04 0.00 -1.10 0.00 0.00 41.96 41.00 2qoe s TYR 225 CO 0.20 -0.58 0.13 0.00 -2.51 0.00 0.00 175.55 172.78 2qoe s ALA 226 N -1.81 3.74 -0.13 9.51 0.00 -0.82 -0.76 121.76 131.50 2qoe s ALA 226 Ca -0.09 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.00 2qoe s ALA 226 Cb -0.01 -1.64 0.01 0.00 0.00 0.00 0.00 23.12 21.48 2qoe s ALA 226 CO 0.03 0.76 -0.22 -1.14 0.00 0.00 0.00 175.76 175.19 2qoe s GLN 227 N -2.19 2.97 -0.11 0.00 0.74 -0.09 -1.17 119.66 119.80 2qoe s GLN 227 Ca 0.29 -0.84 -0.03 0.00 0.05 0.00 0.00 55.36 54.83 2qoe s GLN 227 Cb -0.12 -2.35 -0.03 0.00 1.10 0.00 0.00 33.01 31.60 2qoe s GLN 227 CO 0.21 0.04 -0.01 -0.06 -0.55 0.00 0.00 175.29 174.92 2qoe s PHE 228 N 0.68 3.11 -0.31 1.67 0.08 0.27 -1.35 117.98 122.13 2qoe s PHE 228 Ca -0.11 0.04 -0.03 0.00 0.12 0.00 0.00 56.93 56.96 2qoe s PHE 228 Cb -0.16 -1.85 0.05 0.00 -0.57 0.00 0.00 43.02 40.49 2qoe s PHE 228 CO 0.01 0.30 0.02 1.21 -0.10 0.00 0.00 175.22 176.67 2qoe s ASN 229 N -0.45 4.98 -0.11 1.36 3.84 -0.06 -0.91 114.94 123.59 2qoe s ASN 229 Ca 0.08 -1.26 0.16 0.00 0.21 0.00 0.00 52.86 52.05 2qoe s ASN 229 Cb -0.12 -1.75 0.61 0.00 -0.55 0.00 0.00 41.25 39.44 2qoe s ASN 229 CO 0.02 -0.28 1.52 0.47 -2.79 0.00 0.00 177.10 176.05 2qoe n ASP 230 N 4.66 4.29 -0.34 -4.21 9.92 0.57 -1.57 116.55 129.87 2qoe n ASP 230 Ca -0.13 -2.49 0.14 0.00 -0.53 0.00 0.00 54.79 51.77 2qoe n ASP 230 Cb 0.44 -0.51 0.28 0.00 -0.64 0.00 0.00 41.12 40.68 2qoe n ASP 230 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2qoe h THR 231 N 3.24 0.05 -0.42 -3.53 2.02 -1.84 -1.34 112.91 111.09 2qoe h THR 231 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2qoe h THR 231 Cb 1.34 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2qoe h THR 231 CO 0.20 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.47 2qoe n GLU 232 N -5.48 2.55 -2.45 6.66 1.02 -1.26 -4.93 120.64 116.74 2qoe n GLU 232 Ca 0.22 -2.15 -0.42 0.00 -0.02 0.00 0.00 57.16 54.79 2qoe n GLU 232 Cb 0.73 -1.37 -0.03 0.00 -0.02 0.00 0.00 31.44 30.75 2qoe n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2qoe s VAL 233 N -1.06 4.21 0.74 2.62 1.01 -0.51 -4.65 120.40 122.77 2qoe s VAL 233 Ca 0.31 1.56 -0.13 0.00 0.00 0.00 0.00 61.98 63.72 2qoe s VAL 233 Cb 0.17 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.59 2qoe s VAL 233 CO 0.22 0.04 1.12 -2.84 0.00 0.00 0.00 175.10 173.64 2qoe s PRO 234 N 1.86 2.27 -0.17 2.72 0.02 -1.26 -4.74 135.00 135.71 2qoe s PRO 234 Ca 0.57 1.38 -0.10 0.00 0.02 0.00 0.00 61.00 62.87 2qoe s PRO 234 Cb -0.26 -1.89 -0.05 0.00 0.02 0.00 0.00 34.50 32.33 2qoe s PRO 234 CO 0.24 -1.66 0.16 -0.51 -0.33 0.00 0.00 177.00 174.90 2qoe s LEU 235 N -5.53 4.27 0.16 -5.54 1.43 -1.26 -1.50 118.68 110.71 2qoe s LEU 235 Ca 0.66 0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 53.81 2qoe s LEU 235 Cb -0.21 -2.13 -0.07 0.00 0.03 0.00 0.00 46.19 43.81 2qoe s LEU 235 CO 0.50 0.24 1.06 -0.51 0.23 0.00 0.00 176.35 177.86 2qoe s ILE 236 N -0.05 4.05 -0.04 -0.59 1.10 -0.29 -4.86 121.20 120.51 2qoe s ILE 236 Ca 0.11 1.75 0.06 0.00 -0.51 0.00 0.00 60.65 62.07 2qoe s ILE 236 Cb -0.12 -4.12 -0.01 0.00 0.15 0.00 0.00 42.46 38.36 2qoe s ILE 236 CO 0.01 0.29 -0.23 -1.61 -2.11 0.00 0.00 174.94 171.29 2qoe s GLU 237 N -0.27 2.19 0.10 3.50 2.02 -1.26 -1.37 118.70 123.61 2qoe s GLU 237 Ca 0.49 -0.83 -0.16 0.00 0.02 0.00 0.00 54.97 54.49 2qoe s GLU 237 Cb -0.28 -1.94 0.03 0.00 0.10 0.00 0.00 34.13 32.05 2qoe s GLU 237 CO 0.33 0.39 0.39 1.52 0.02 0.00 0.00 175.26 177.91 2qoe s TYR 238 N -0.25 -0.19 0.28 1.61 1.13 -0.68 -4.98 117.35 114.28 2qoe s TYR 238 Ca 0.00 -0.06 -0.28 0.00 -1.41 0.00 0.00 57.07 55.33 2qoe s TYR 238 Cb -0.12 0.22 -0.09 0.00 -1.10 0.00 0.00 41.96 40.87 2qoe s TYR 238 CO 0.02 -0.65 0.94 -1.12 -2.51 0.00 0.00 175.55 172.23 2qoe s SER 239 N -2.58 7.48 -0.10 -0.18 0.01 -1.26 -0.42 113.70 116.65 2qoe s SER 239 Ca 0.01 1.89 0.02 0.00 1.31 0.00 0.00 55.95 59.18 2qoe s SER 239 Cb 0.01 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.66 2qoe s SER 239 CO -0.09 0.04 -0.17 0.12 0.41 0.00 0.00 173.24 173.55 2qoe s PHE 240 N -1.41 2.04 -0.09 2.43 5.36 0.16 -4.65 117.98 121.82 2qoe s PHE 240 Ca 0.46 -0.92 0.12 0.00 -0.96 0.00 0.00 56.93 55.63 2qoe s PHE 240 Cb -0.22 -1.44 -0.24 0.00 -0.34 0.00 0.00 43.02 40.78 2qoe s PHE 240 CO 0.28 -0.44 0.48 0.66 -1.46 0.00 0.00 175.22 174.73 2qoe n TYR 241 N 4.00 0.76 -4.69 10.12 4.02 -1.26 -0.85 117.16 129.26 2qoe n TYR 241 Ca -0.20 0.26 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 2qoe n TYR 241 Cb 0.52 -1.14 0.00 0.00 -0.02 0.00 0.00 39.34 38.70 2qoe n TYR 241 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2qoe n SER 242 N -3.02 -2.64 -4.74 7.72 2.88 -1.26 -4.72 113.62 107.84 2qoe n SER 242 Ca -0.23 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 56.98 2qoe n SER 242 Cb 1.08 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.62 2qoe n SER 242 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2qoe s ASP 243 N -4.00 4.46 0.44 -3.46 1.01 -1.26 -4.89 116.67 108.97 2qoe s ASP 243 Ca 0.00 2.19 0.25 0.00 0.71 0.00 0.00 52.55 55.70 2qoe s ASP 243 Cb 0.00 -2.57 1.27 0.00 1.01 0.00 0.00 42.92 42.63 2qoe s ASP 243 CO 0.00 -2.07 1.74 -0.08 0.21 0.00 0.00 175.17 174.96 2qoe h GLU 244 N -0.31 0.24 0.00 8.23 4.81 -2.05 -1.14 114.58 124.35 2qoe h GLU 244 Ca -0.47 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2qoe h GLU 244 Cb 1.27 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2qoe h GLU 244 CO 0.51 0.16 0.00 0.66 -0.73 0.00 0.00 179.01 179.60 2qoe h SER 245 N 0.24 0.00 -3.17 1.04 4.64 -1.93 -3.42 113.55 110.95 2qoe h SER 245 Ca 0.65 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.40 2qoe h SER 245 Cb 1.94 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.98 2qoe h SER 245 CO -0.27 0.00 1.01 -0.22 -0.87 0.00 0.00 176.83 176.48 2qoe s LEU 246 N -5.93 3.78 0.08 5.97 2.96 -0.43 -4.92 118.68 120.19 2qoe s LEU 246 Ca -0.01 1.10 -0.18 0.00 -0.22 0.00 0.00 54.13 54.82 2qoe s LEU 246 Cb 0.10 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.16 2qoe s LEU 246 CO 0.47 -1.21 1.46 -0.61 -1.32 0.00 0.00 176.35 175.14 2qoe h GLN 247 N 9.83 0.49 -5.32 1.98 4.15 -1.89 -3.42 115.11 120.92 2qoe h GLN 247 Ca -0.27 -0.20 -0.65 0.00 0.77 0.00 0.00 58.65 58.30 2qoe h GLN 247 Cb 1.10 -0.02 -0.25 0.00 0.21 0.00 0.00 27.48 28.52 2qoe h GLN 247 CO 1.05 0.73 -0.74 0.71 -1.93 0.00 0.00 178.83 178.65 2qoe s TYR 248 N -4.70 2.87 0.80 3.99 2.02 -1.26 -5.11 117.35 115.96 2qoe s TYR 248 Ca -0.13 -0.54 -0.14 0.00 -0.37 0.00 0.00 57.07 55.89 2qoe s TYR 248 Cb 0.07 -1.87 0.08 0.00 -0.40 0.00 0.00 41.96 39.84 2qoe s TYR 248 CO 0.77 -0.16 1.20 -2.30 -1.57 0.00 0.00 175.55 173.49 2qoe n PRO 249 N 3.51 0.24 -3.80 -1.71 -0.02 -1.26 -5.00 135.00 126.95 2qoe n PRO 249 Ca -0.18 0.16 -0.35 0.00 -2.02 0.00 0.00 63.50 61.11 2qoe n PRO 249 Cb 0.53 -2.44 -0.05 0.00 -0.02 0.00 0.00 33.50 31.52 2qoe n PRO 249 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2qoe s LYS 250 N -4.05 3.54 -0.27 -0.52 2.20 -0.03 -4.92 119.74 115.69 2qoe s LYS 250 Ca 0.74 -0.10 -0.13 0.00 -0.36 0.00 0.00 55.97 56.11 2qoe s LYS 250 Cb -0.30 -3.12 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 2qoe s LYS 250 CO 0.50 0.69 0.29 0.99 -0.36 0.00 0.00 175.35 177.47 2qoe s THR 251 N -1.21 5.24 -0.05 3.43 2.01 -1.26 0.36 115.64 124.15 2qoe s THR 251 Ca 0.24 0.41 -0.18 0.00 0.31 0.00 0.00 61.69 62.46 2qoe s THR 251 Cb -0.13 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 2qoe s THR 251 CO 0.13 0.21 0.51 -0.69 -0.69 0.00 0.00 174.62 174.09 2qoe s VAL 252 N 1.86 5.05 -0.13 3.82 1.01 0.44 -4.93 120.40 127.52 2qoe s VAL 252 Ca 0.12 1.05 -0.00 0.00 0.00 0.00 0.00 61.98 63.15 2qoe s VAL 252 Cb -0.16 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.40 2qoe s VAL 252 CO 0.10 0.41 -0.10 -0.13 0.00 0.00 0.00 175.10 175.37 2qoe s ARG 253 N -0.01 1.85 -0.10 2.72 0.52 -1.26 -1.68 118.95 120.99 2qoe s ARG 253 Ca 0.28 -0.38 0.01 0.00 -0.52 0.00 0.00 55.73 55.11 2qoe s ARG 253 Cb -0.17 -1.80 0.02 0.00 0.52 0.00 0.00 34.95 33.52 2qoe s ARG 253 CO 0.14 -0.25 -0.10 0.08 0.02 0.00 0.00 175.30 175.18 2qoe s VAL 254 N 1.60 1.12 -0.11 3.52 1.01 -0.47 -4.97 120.40 122.10 2qoe s VAL 254 Ca 0.05 -0.40 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 2qoe s VAL 254 Cb -0.13 -1.08 -0.06 0.00 0.00 0.00 0.00 36.38 35.11 2qoe s VAL 254 CO -0.09 0.37 1.91 -2.84 0.00 0.00 0.00 175.10 174.45 2qoe s PRO 255 N 1.25 3.77 -0.21 2.72 0.02 -1.26 -1.14 135.00 140.16 2qoe s PRO 255 Ca -0.03 2.15 -0.04 0.00 0.02 0.00 0.00 61.00 63.10 2qoe s PRO 255 Cb -0.14 -4.17 0.10 0.00 0.02 0.00 0.00 34.50 30.31 2qoe s PRO 255 CO -0.03 -1.35 0.27 -0.47 -0.33 0.00 0.00 177.00 175.08 2qoe s TYR 256 N 5.67 -0.44 -0.31 6.54 6.14 -0.56 -4.42 117.35 129.97 2qoe s TYR 256 Ca 0.86 0.46 -0.24 0.00 0.64 0.00 0.00 57.07 58.79 2qoe s TYR 256 Cb -0.34 -0.23 0.00 0.00 0.42 0.00 0.00 41.96 41.81 2qoe s TYR 256 CO 0.35 -0.61 0.80 -1.25 0.64 0.00 0.00 175.55 175.48 2qoe s PRO 257 N 2.39 3.96 0.81 4.97 0.04 -1.26 -4.50 135.00 141.42 2qoe s PRO 257 Ca 0.08 0.59 -0.12 0.00 0.04 0.00 0.00 61.00 61.59 2qoe s PRO 257 Cb -0.15 -3.73 0.08 0.00 0.04 0.00 0.00 34.50 30.73 2qoe s PRO 257 CO -0.13 -0.69 1.15 0.15 0.04 0.00 0.00 177.00 177.53 2qoe s LYS 258 N 2.98 1.99 -0.17 4.56 1.02 -1.26 -0.66 119.74 128.20 2qoe s LYS 258 Ca 0.33 0.23 -0.37 0.00 0.02 0.00 0.00 55.97 56.18 2qoe s LYS 258 Cb -0.14 -1.94 -0.14 0.00 -0.52 0.00 0.00 37.83 35.09 2qoe s LYS 258 CO 0.13 -1.60 1.77 0.00 -0.92 0.00 0.00 175.35 174.72 2qoe n ALA 259 N -3.34 0.22 0.00 5.17 0.00 0.10 -1.44 120.51 121.22 2qoe n ALA 259 Ca 0.07 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2qoe n ALA 259 Cb 0.60 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.72 2qoe n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qoe n GLY 260 N 4.14 1.61 3.81 0.00 0.00 -1.26 -4.82 105.19 108.67 2qoe n GLY 260 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 2qoe n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qoe s ALA 261 N -2.33 2.06 0.09 4.61 0.00 -0.52 -4.98 121.76 120.69 2qoe s ALA 261 Ca 0.00 -0.49 -0.31 0.00 0.00 0.00 0.00 51.96 51.16 2qoe s ALA 261 Cb 0.00 -3.03 -0.09 0.00 0.00 0.00 0.00 23.12 20.00 2qoe s ALA 261 CO 0.00 -2.04 1.79 0.08 0.00 0.00 0.00 175.76 175.59 2qoe s VAL 262 N -3.32 2.79 0.38 0.00 1.01 -1.26 -4.89 120.40 115.11 2qoe s VAL 262 Ca 0.63 0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.78 2qoe s VAL 262 Cb -0.14 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2qoe s VAL 262 CO 0.53 -0.00 0.63 0.20 0.00 0.00 0.00 175.10 176.45 2qoe s ASN 263 N 2.91 6.33 0.66 3.32 0.02 -1.26 -4.29 114.94 122.62 2qoe s ASN 263 Ca 0.80 0.67 -0.17 0.00 -1.02 0.00 0.00 52.86 53.13 2qoe s ASN 263 Cb -0.43 -2.13 -0.00 0.00 0.02 0.00 0.00 41.25 38.71 2qoe s ASN 263 CO 0.36 -0.36 1.26 -2.16 0.02 0.00 0.00 177.10 176.21 2qoe s PRO 264 N -4.26 2.52 0.26 -0.60 0.04 -1.26 -4.77 135.00 126.94 2qoe s PRO 264 Ca 0.43 1.95 0.05 0.00 0.04 0.00 0.00 61.00 63.48 2qoe s PRO 264 Cb -0.10 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 2qoe s PRO 264 CO 0.37 -1.59 0.39 0.95 0.04 0.00 0.00 177.00 177.16 2qoe s THR 265 N -1.57 5.00 0.00 1.26 -4.23 -0.61 -4.93 115.64 110.56 2qoe s THR 265 Ca 0.80 -0.97 0.01 0.00 -1.18 0.00 0.00 61.69 60.35 2qoe s THR 265 Cb -0.34 -3.76 -0.00 0.00 1.34 0.00 0.00 72.50 69.73 2qoe s THR 265 CO 0.40 -0.30 -0.03 0.54 -0.54 0.00 0.00 174.62 174.69 2qoe s VAL 266 N -2.04 0.21 0.13 2.29 0.11 -1.26 -0.88 120.40 118.97 2qoe s VAL 266 Ca 0.37 -0.18 0.04 0.00 -2.93 0.00 0.00 61.98 59.28 2qoe s VAL 266 Cb -0.09 -0.20 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 2qoe s VAL 266 CO 0.30 0.02 -0.10 -0.54 -3.33 0.00 0.00 175.10 171.45 2qoe s LYS 267 N -0.17 1.01 -0.04 1.54 1.02 -0.46 -4.99 119.74 117.65 2qoe s LYS 267 Ca -0.00 -1.39 0.03 0.00 0.02 0.00 0.00 55.97 54.63 2qoe s LYS 267 Cb -0.02 -0.58 0.01 0.00 -0.52 0.00 0.00 37.83 36.72 2qoe s LYS 267 CO -0.00 0.07 -0.11 0.12 -0.92 0.00 0.00 175.35 174.51 2qoe s PHE 268 N -3.18 1.17 0.08 3.18 5.36 -1.26 -0.91 117.98 122.42 2qoe s PHE 268 Ca 0.14 -0.33 0.03 0.00 -0.96 0.00 0.00 56.93 55.81 2qoe s PHE 268 Cb 0.02 -0.84 -0.03 0.00 -0.34 0.00 0.00 43.02 41.83 2qoe s PHE 268 CO 0.00 -0.15 -0.09 -0.06 -1.46 0.00 0.00 175.22 173.46 2qoe s PHE 269 N 0.30 0.97 -0.06 10.12 0.40 0.06 -1.26 117.98 128.51 2qoe s PHE 269 Ca -0.06 -0.64 0.02 0.00 -0.60 0.00 0.00 56.93 55.64 2qoe s PHE 269 Cb -0.11 -0.54 0.02 0.00 0.51 0.00 0.00 43.02 42.90 2qoe s PHE 269 CO 0.01 -0.03 -0.09 0.08 0.70 0.00 0.00 175.22 175.89 2qoe s VAL 270 N -2.28 0.89 0.01 -0.44 1.01 0.40 -0.87 120.40 119.11 2qoe s VAL 270 Ca 0.02 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 61.75 2qoe s VAL 270 Cb -0.04 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 2qoe s VAL 270 CO -0.00 0.31 -0.23 0.54 0.00 0.00 0.00 175.10 175.71 2qoe s VAL 271 N 0.83 2.37 -0.45 2.92 0.11 -0.57 -0.47 120.40 125.15 2qoe s VAL 271 Ca -0.12 -1.15 -0.25 0.00 -2.93 0.00 0.00 61.98 57.53 2qoe s VAL 271 Cb -0.15 -1.90 0.03 0.00 -1.53 0.00 0.00 36.38 32.82 2qoe s VAL 271 CO 0.02 0.47 0.92 0.21 -3.33 0.00 0.00 175.10 173.39 2qoe s ASN 272 N -0.97 6.52 0.00 3.54 3.84 -1.26 -1.04 114.94 125.56 2qoe s ASN 272 Ca 0.12 0.18 0.29 0.00 0.21 0.00 0.00 52.86 53.65 2qoe s ASN 272 Cb -0.10 -2.45 1.28 0.00 -0.55 0.00 0.00 41.25 39.43 2qoe s ASN 272 CO 0.01 -1.02 1.89 0.35 -2.79 0.00 0.00 177.10 175.54 2qoe n THR 273 N 6.36 0.00 0.52 -5.21 -2.24 -0.06 -3.24 114.28 110.40 2qoe n THR 273 Ca 0.06 -0.06 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 2qoe n THR 273 Cb 0.48 -0.13 0.17 0.00 -2.10 0.00 0.00 70.33 68.76 2qoe n THR 273 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2qoe h ASP 274 N 0.55 0.00 -0.38 3.42 5.19 -1.88 -3.36 116.42 119.96 2qoe h ASP 274 Ca 0.00 -0.17 -0.28 0.00 -0.62 0.00 0.00 57.03 55.96 2qoe h ASP 274 Cb 0.34 0.00 -0.22 0.00 0.18 0.00 0.00 39.33 39.63 2qoe h ASP 274 CO 0.00 0.09 -0.65 -1.54 -3.12 0.00 0.00 179.24 174.02 2qoe n SER 275 N -2.21 3.34 -4.81 6.45 3.41 -1.20 -5.05 113.62 113.56 2qoe n SER 275 Ca 0.03 -3.83 -0.33 0.00 -0.26 0.00 0.00 58.87 54.48 2qoe n SER 275 Cb 0.45 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 2qoe n SER 275 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2qoe s LEU 276 N -3.42 3.55 0.02 1.04 1.43 -1.26 -5.02 118.68 115.02 2qoe s LEU 276 Ca 0.45 1.81 0.02 0.00 -1.03 0.00 0.00 54.13 55.37 2qoe s LEU 276 Cb 0.39 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.06 2qoe s LEU 276 CO -0.01 -1.08 -0.06 -0.55 0.23 0.00 0.00 176.35 174.88 2qoe s SER 277 N -2.72 0.70 0.27 2.29 0.15 -1.26 -5.03 113.70 108.10 2qoe s SER 277 Ca 0.64 -0.29 0.09 0.00 0.70 0.00 0.00 55.95 57.09 2qoe s SER 277 Cb -0.16 -0.02 0.35 0.00 -1.71 0.00 0.00 66.02 64.48 2qoe s SER 277 CO 0.35 -0.06 1.61 0.28 1.20 0.00 0.00 173.24 176.62 2qoe h SER 278 N 5.35 0.05 0.41 5.45 0.02 -1.99 -3.33 113.55 119.51 2qoe h SER 278 Ca -0.31 -0.03 -0.31 0.00 -0.84 0.00 0.00 61.79 60.30 2qoe h SER 278 Cb 1.20 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.74 2qoe h SER 278 CO 0.46 0.64 -1.47 0.58 -1.14 0.00 0.00 176.83 175.90 2qoe h VAL 279 N 0.03 1.25 -3.98 2.27 2.07 -2.04 -3.47 116.25 112.39 2qoe h VAL 279 Ca -0.01 -2.80 -0.69 0.00 0.82 0.00 0.00 66.70 64.03 2qoe h VAL 279 Cb 1.08 2.90 -0.22 0.00 -1.52 0.00 0.00 31.29 33.53 2qoe h VAL 279 CO 0.08 0.84 -0.78 -0.89 0.02 0.00 0.00 177.57 176.84 2qoe s THR 280 N -2.62 2.98 0.37 2.57 2.01 -1.25 -5.11 115.64 114.59 2qoe s THR 280 Ca -0.09 -0.94 -0.28 0.00 0.31 0.00 0.00 61.69 60.70 2qoe s THR 280 Cb 0.06 -2.22 -0.10 0.00 0.01 0.00 0.00 72.50 70.25 2qoe s THR 280 CO 0.89 0.46 1.39 0.20 -0.69 0.00 0.00 174.62 176.87 2qoe s ASN 281 N -1.11 6.48 0.45 3.53 0.01 -1.26 -4.34 114.94 118.70 2qoe s ASN 281 Ca 0.13 2.85 -0.25 0.00 -0.71 0.00 0.00 52.86 54.89 2qoe s ASN 281 Cb -0.11 -2.66 -0.08 0.00 0.41 0.00 0.00 41.25 38.82 2qoe s ASN 281 CO 0.03 -0.76 1.35 0.00 -1.51 0.00 0.00 177.10 176.21 2qoe s ALA 282 N -1.15 3.15 -0.25 0.60 0.00 -1.26 -4.99 121.76 117.86 2qoe s ALA 282 Ca 0.52 1.31 -0.12 0.00 0.00 0.00 0.00 51.96 53.67 2qoe s ALA 282 Cb -0.43 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.12 2qoe s ALA 282 CO 0.57 -1.04 0.22 0.99 0.00 0.00 0.00 175.76 176.51 2qoe s THR 283 N -1.27 5.30 -0.19 0.00 2.01 -1.26 -5.02 115.64 115.21 2qoe s THR 283 Ca 0.61 0.29 -0.09 0.00 0.31 0.00 0.00 61.69 62.81 2qoe s THR 283 Cb -0.40 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 2qoe s THR 283 CO 0.50 0.28 0.11 -0.44 -0.69 0.00 0.00 174.62 174.38 2qoe s SER 284 N 1.36 6.04 -0.28 3.53 0.01 -1.26 -4.52 113.70 118.57 2qoe s SER 284 Ca 0.10 0.19 -0.17 0.00 1.31 0.00 0.00 55.95 57.37 2qoe s SER 284 Cb -0.15 -2.05 -0.02 0.00 0.21 0.00 0.00 66.02 64.01 2qoe s SER 284 CO 0.08 0.18 0.49 -0.63 0.41 0.00 0.00 173.24 173.77 2qoe s ILE 285 N 0.35 5.07 0.20 1.44 -1.09 0.39 -4.86 121.20 122.69 2qoe s ILE 285 Ca 0.07 0.70 -0.30 0.00 -2.23 0.00 0.00 60.65 58.88 2qoe s ILE 285 Cb -0.11 -3.84 -0.08 0.00 -1.58 0.00 0.00 42.46 36.85 2qoe s ILE 285 CO -0.01 0.02 0.98 -1.58 -1.23 0.00 0.00 174.94 173.12 2qoe s GLN 286 N 2.29 4.76 -0.31 2.79 0.74 -1.26 -0.45 119.66 128.22 2qoe s GLN 286 Ca 0.20 1.53 -0.05 0.00 0.05 0.00 0.00 55.36 57.09 2qoe s GLN 286 Cb -0.16 -3.30 0.03 0.00 1.10 0.00 0.00 33.01 30.69 2qoe s GLN 286 CO 0.10 0.35 0.06 0.42 -0.55 0.00 0.00 175.29 175.67 2qoe s ILE 287 N -0.72 3.53 0.45 -2.34 1.01 -0.39 -4.90 121.20 117.85 2qoe s ILE 287 Ca 0.44 -1.10 -0.16 0.00 0.00 0.00 0.00 60.65 59.82 2qoe s ILE 287 Cb -0.26 -2.95 -0.09 0.00 0.01 0.00 0.00 42.46 39.17 2qoe s ILE 287 CO 0.32 -0.08 0.91 0.42 0.00 0.00 0.00 174.94 176.52 2qoe s THR 288 N 1.38 4.56 0.67 2.92 -4.23 -1.26 -4.17 115.64 115.50 2qoe s THR 288 Ca -0.02 1.15 -0.15 0.00 -1.18 0.00 0.00 61.69 61.49 2qoe s THR 288 Cb -0.19 -3.68 0.01 0.00 1.34 0.00 0.00 72.50 69.98 2qoe s THR 288 CO 0.01 -0.50 1.13 0.00 -0.54 0.00 0.00 174.62 174.73 2qoe s ALA 289 N -2.38 2.39 0.74 3.99 0.00 -1.26 -5.00 121.76 120.24 2qoe s ALA 289 Ca 0.58 0.64 -0.15 0.00 0.00 0.00 0.00 51.96 53.02 2qoe s ALA 289 Cb -0.10 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.69 2qoe s ALA 289 CO 0.25 -1.41 1.11 -2.30 0.00 0.00 0.00 175.76 173.41 2qoe n PRO 290 N -2.45 0.52 -0.31 0.00 -0.02 -1.26 -4.74 135.00 126.74 2qoe n PRO 290 Ca 0.11 0.24 0.13 0.00 -2.02 0.00 0.00 63.50 61.97 2qoe n PRO 290 Cb 0.51 -2.36 0.37 0.00 -0.02 0.00 0.00 33.50 32.01 2qoe n PRO 290 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qoe h ALA 291 N -0.32 1.82 0.00 3.55 0.00 -1.99 -0.20 119.26 122.12 2qoe h ALA 291 Ca -0.48 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2qoe h ALA 291 Cb 1.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2qoe h ALA 291 CO 0.48 -0.13 0.00 0.66 0.00 0.00 0.00 179.25 180.26 2qoe h SER 292 N 0.69 0.00 0.07 0.00 4.64 -2.03 -2.55 113.55 114.38 2qoe h SER 292 Ca 0.51 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.47 2qoe h SER 292 Cb 0.87 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.93 2qoe h SER 292 CO -0.27 0.00 -2.05 0.23 -0.87 0.00 0.00 176.83 173.86 2qoe n MET 293 N -3.00 0.70 0.31 4.77 2.00 -0.15 -4.45 117.12 117.31 2qoe n MET 293 Ca -0.02 0.27 0.20 0.00 0.00 0.00 0.00 57.70 58.15 2qoe n MET 293 Cb 0.11 -1.66 1.00 0.00 0.00 0.00 0.00 33.22 32.67 2qoe n MET 293 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2qoe h LEU 294 N -0.13 0.00 -2.53 4.03 3.38 -1.00 -2.68 115.31 116.38 2qoe h LEU 294 Ca -0.47 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.52 2qoe h LEU 294 Cb 1.89 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.64 2qoe h LEU 294 CO -0.02 0.02 0.10 0.16 0.09 0.00 0.00 178.44 178.79 2qoe h ILE 295 N 0.00 0.24 -1.72 1.22 3.07 -1.71 -3.46 117.51 115.15 2qoe h ILE 295 Ca -0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 2qoe h ILE 295 Cb 0.18 0.91 0.00 0.00 -0.27 0.00 0.00 36.82 37.64 2qoe h ILE 295 CO 0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 2qoe n GLY 296 N -1.24 2.49 3.75 0.16 0.00 -1.01 -5.14 105.19 104.19 2qoe n GLY 296 Ca -0.02 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.61 2qoe n GLY 296 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qoe n ASP 297 N -0.86 2.96 -3.70 1.61 8.00 -1.26 -4.95 116.55 118.35 2qoe n ASP 297 Ca 0.00 1.06 -0.07 0.00 0.71 0.00 0.00 54.79 56.49 2qoe n ASP 297 Cb 0.00 -1.58 -0.01 0.00 -0.02 0.00 0.00 41.12 39.51 2qoe n ASP 297 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2qoe s HIS 298 N -1.24 -0.13 0.14 1.24 -3.43 -1.26 -1.94 115.29 108.68 2qoe s HIS 298 Ca 0.66 -0.35 0.07 0.00 -0.80 0.00 0.00 55.06 54.63 2qoe s HIS 298 Cb -0.44 0.73 -0.04 0.00 -1.43 0.00 0.00 32.58 31.40 2qoe s HIS 298 CO 0.54 -1.26 -0.15 0.71 -2.00 0.00 0.00 174.74 172.58 2qoe s TYR 299 N -3.60 1.53 -0.21 0.38 2.02 0.13 -4.82 117.35 112.78 2qoe s TYR 299 Ca 0.12 -0.55 -0.17 0.00 -0.37 0.00 0.00 57.07 56.09 2qoe s TYR 299 Cb -0.06 -0.78 -0.03 0.00 -0.40 0.00 0.00 41.96 40.70 2qoe s TYR 299 CO 0.07 0.21 0.47 -1.17 -1.57 0.00 0.00 175.55 173.56 2qoe s LEU 300 N -2.67 4.13 -0.00 -1.29 2.96 -1.26 -1.14 118.68 119.41 2qoe s LEU 300 Ca 0.13 0.58 0.02 0.00 -0.22 0.00 0.00 54.13 54.63 2qoe s LEU 300 Cb -0.04 -2.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.01 2qoe s LEU 300 CO 0.04 -0.16 0.05 0.00 -1.32 0.00 0.00 176.35 174.97 2qoe s ASP 302 N -1.51 -0.54 -0.08 0.00 -1.08 -1.13 -4.87 116.67 107.46 2qoe s ASP 302 Ca 0.00 1.01 0.00 0.00 -0.52 0.00 0.00 52.55 53.05 2qoe s ASP 302 Cb 0.01 1.00 0.02 0.00 -1.46 0.00 0.00 42.92 42.49 2qoe s ASP 302 CO 0.06 -0.18 -0.07 -0.69 0.52 0.00 0.00 175.17 174.82 2qoe s VAL 303 N 0.47 0.86 -0.10 1.11 1.01 -1.26 -1.29 120.40 121.20 2qoe s VAL 303 Ca -0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 2qoe s VAL 303 Cb -0.04 -0.88 0.05 0.00 0.00 0.00 0.00 36.38 35.51 2qoe s VAL 303 CO -0.02 0.32 0.13 -0.89 0.00 0.00 0.00 175.10 174.65 2qoe s THR 304 N 1.37 -0.20 0.20 3.92 2.01 -0.45 -5.03 115.64 117.45 2qoe s THR 304 Ca -0.02 0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.91 2qoe s THR 304 Cb -0.14 -0.35 -0.09 0.00 0.01 0.00 0.00 72.50 71.94 2qoe s THR 304 CO -0.04 0.05 1.37 0.26 -0.69 0.00 0.00 174.62 175.57 2qoe s TRP 305 N 2.24 3.18 -0.21 4.92 0.52 -1.26 -1.10 118.94 127.23 2qoe s TRP 305 Ca 0.04 1.10 -0.18 0.00 0.02 0.00 0.00 56.10 57.07 2qoe s TRP 305 Cb -0.13 -3.69 -0.15 0.00 -1.15 0.00 0.00 33.47 28.35 2qoe s TRP 305 CO -0.06 -2.24 0.04 0.00 0.02 0.00 0.00 176.95 174.70 2qoe n ALA 306 N 2.80 0.81 -3.03 0.98 0.00 0.56 -4.90 120.51 117.74 2qoe n ALA 306 Ca 0.07 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2qoe n ALA 306 Cb 0.42 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.53 2qoe n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2qoe n THR 307 N -4.43 0.00 0.25 0.00 -2.24 -0.87 -4.60 114.28 102.40 2qoe n THR 307 Ca -0.32 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.59 2qoe n THR 307 Cb 0.65 0.00 0.80 0.00 -2.10 0.00 0.00 70.33 69.68 2qoe n THR 307 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2qoe h GLN 308 N 0.00 0.00 0.00 -0.78 1.08 -1.97 -3.22 115.11 110.22 2qoe h GLN 308 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2qoe h GLN 308 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2qoe h GLN 308 CO 0.00 0.00 -0.20 0.39 -0.95 0.00 0.00 178.83 178.07 2qoe n GLU 309 N -4.11 0.69 -3.89 1.46 1.02 -1.26 -4.88 120.64 109.67 2qoe n GLU 309 Ca -0.02 -1.29 -0.21 0.00 -0.02 0.00 0.00 57.16 55.62 2qoe n GLU 309 Cb 0.15 -0.79 -0.17 0.00 -0.02 0.00 0.00 31.44 30.61 2qoe n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2qoe s ARG 310 N -0.77 0.58 -0.01 3.49 3.52 -1.22 -0.19 118.95 124.36 2qoe s ARG 310 Ca 0.07 0.06 0.07 0.00 -0.13 0.00 0.00 55.73 55.81 2qoe s ARG 310 Cb 0.06 -0.83 -0.02 0.00 -1.56 0.00 0.00 34.95 32.60 2qoe s ARG 310 CO 0.01 -0.22 -0.24 -1.50 -0.81 0.00 0.00 175.30 172.54 2qoe s ILE 311 N 1.55 1.87 -0.06 4.11 2.07 0.23 -0.32 121.20 130.65 2qoe s ILE 311 Ca -0.02 -1.05 0.01 0.00 -1.41 0.00 0.00 60.65 58.18 2qoe s ILE 311 Cb -0.13 -1.56 -0.03 0.00 0.13 0.00 0.00 42.46 40.87 2qoe s ILE 311 CO -0.03 0.49 -0.07 -0.94 -1.91 0.00 0.00 174.94 172.48 2qoe s SER 312 N -0.65 4.62 0.01 4.50 1.04 -0.26 -0.28 113.70 122.69 2qoe s SER 312 Ca 0.09 -0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.52 2qoe s SER 312 Cb -0.09 -1.15 -0.01 0.00 0.10 0.00 0.00 66.02 64.87 2qoe s SER 312 CO -0.00 0.36 -0.10 -0.76 0.98 0.00 0.00 173.24 173.71 2qoe s LEU 313 N -0.85 2.10 -0.10 2.42 1.43 -0.50 -1.34 118.68 121.83 2qoe s LEU 313 Ca 0.13 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 2qoe s LEU 313 Cb -0.11 -0.45 -0.02 0.00 0.03 0.00 0.00 46.19 45.64 2qoe s LEU 313 CO 0.02 0.04 -0.14 -1.10 0.23 0.00 0.00 176.35 175.40 2qoe s GLN 314 N -0.67 3.03 0.12 1.70 -0.21 -0.41 -0.40 119.66 122.82 2qoe s GLN 314 Ca 0.01 -0.70 0.06 0.00 0.02 0.00 0.00 55.36 54.75 2qoe s GLN 314 Cb -0.06 -2.51 -0.04 0.00 1.00 0.00 0.00 33.01 31.40 2qoe s GLN 314 CO 0.00 0.36 -0.02 -1.58 -2.12 0.00 0.00 175.29 171.93 2qoe s TRP 315 N -0.05 2.89 -0.03 0.91 0.52 0.22 -0.81 118.94 122.59 2qoe s TRP 315 Ca -0.03 -0.09 0.02 0.00 0.02 0.00 0.00 56.10 56.02 2qoe s TRP 315 Cb -0.14 -1.47 0.01 0.00 -1.15 0.00 0.00 33.47 30.73 2qoe s TRP 315 CO 0.04 0.48 -0.06 -1.17 0.02 0.00 0.00 176.95 176.26 2qoe s LEU 316 N -2.46 1.55 0.59 2.99 2.96 -0.29 -1.24 118.68 122.77 2qoe s LEU 316 Ca 0.25 -0.14 -0.18 0.00 -0.22 0.00 0.00 54.13 53.84 2qoe s LEU 316 Cb -0.11 -0.46 -0.03 0.00 0.50 0.00 0.00 46.19 46.09 2qoe s LEU 316 CO 0.17 -0.01 1.13 -0.13 -1.32 0.00 0.00 176.35 176.19 2qoe s ARG 317 N 0.58 3.09 0.38 1.98 0.52 -0.86 0.19 118.95 124.84 2qoe s ARG 317 Ca -0.08 1.54 0.11 0.00 -0.52 0.00 0.00 55.73 56.78 2qoe s ARG 317 Cb -0.11 -1.98 0.90 0.00 0.52 0.00 0.00 34.95 34.28 2qoe s ARG 317 CO 0.00 -1.04 1.88 -0.09 0.02 0.00 0.00 175.30 176.07 2qoe h ARG 318 N 0.70 0.58 -5.99 3.54 2.43 -1.71 -3.07 114.38 110.85 2qoe h ARG 318 Ca -0.49 -0.03 -0.58 0.00 -0.81 0.00 0.00 59.98 58.07 2qoe h ARG 318 Cb 1.26 -0.13 -0.11 0.00 -0.42 0.00 0.00 29.97 30.57 2qoe h ARG 318 CO 0.56 0.38 0.95 0.42 -1.51 0.00 0.00 179.97 180.77 2qoe s ILE 319 N -5.59 3.97 -0.06 1.20 -1.09 -1.26 -4.81 121.20 113.56 2qoe s ILE 319 Ca -0.09 -0.06 -0.00 0.00 -2.23 0.00 0.00 60.65 58.27 2qoe s ILE 319 Cb 0.22 -4.86 0.05 0.00 -1.58 0.00 0.00 42.46 36.29 2qoe s ILE 319 CO 0.78 -1.73 1.78 0.00 -1.23 0.00 0.00 174.94 174.54 2qoe n GLN 320 N 8.69 1.15 -0.36 2.79 6.02 -1.16 -3.70 117.38 130.81 2qoe n GLN 320 Ca 0.06 -0.31 0.07 0.00 -0.01 0.00 0.00 57.00 56.81 2qoe n GLN 320 Cb 0.48 -1.12 0.23 0.00 1.02 0.00 0.00 30.24 30.85 2qoe n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2qoe n ASN 321 N 1.05 3.60 -3.59 1.08 0.23 -1.26 -0.82 115.26 115.56 2qoe n ASN 321 Ca 0.06 -2.54 -0.16 0.00 -0.53 0.00 0.00 54.58 51.41 2qoe n ASN 321 Cb 0.54 -0.42 -0.13 0.00 -2.08 0.00 0.00 39.78 37.69 2qoe n ASN 321 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 2qoe s TYR 322 N -1.97 -0.33 0.12 -2.53 6.14 -1.24 -1.59 117.35 115.95 2qoe s TYR 322 Ca 0.35 0.60 0.07 0.00 0.64 0.00 0.00 57.07 58.73 2qoe s TYR 322 Cb 0.25 -0.21 -0.04 0.00 0.42 0.00 0.00 41.96 42.39 2qoe s TYR 322 CO 0.13 -0.45 -0.16 0.45 0.64 0.00 0.00 175.55 176.16 2qoe s SER 323 N 2.36 2.21 -0.06 4.32 0.15 0.45 -2.02 113.70 121.11 2qoe s SER 323 Ca 0.04 -0.79 0.01 0.00 0.70 0.00 0.00 55.95 55.91 2qoe s SER 323 Cb -0.14 -0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.10 2qoe s SER 323 CO -0.10 -0.08 -0.05 -0.69 1.20 0.00 0.00 173.24 173.52 2qoe s VAL 324 N -1.89 0.65 -0.22 4.45 1.01 -0.38 -1.12 120.40 122.91 2qoe s VAL 324 Ca 0.09 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.78 2qoe s VAL 324 Cb -0.06 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 2qoe s VAL 324 CO 0.04 0.26 0.30 -0.32 0.00 0.00 0.00 175.10 175.38 2qoe s MET 325 N 1.11 4.14 -0.12 2.72 1.75 0.09 -0.61 119.30 128.38 2qoe s MET 325 Ca -0.08 0.01 -0.07 0.00 -1.25 0.00 0.00 55.69 54.30 2qoe s MET 325 Cb -0.14 -3.53 -0.04 0.00 2.84 0.00 0.00 34.83 33.96 2qoe s MET 325 CO -0.01 0.01 0.15 -0.51 -0.65 0.00 0.00 175.02 174.01 2qoe s ASP 326 N 1.02 6.40 -0.23 1.11 1.01 0.46 -1.82 116.67 124.63 2qoe s ASP 326 Ca 0.14 0.49 0.01 0.00 0.71 0.00 0.00 52.55 53.90 2qoe s ASP 326 Cb -0.14 -2.08 0.04 0.00 1.01 0.00 0.00 42.92 41.75 2qoe s ASP 326 CO 0.06 0.41 -0.12 -0.63 0.21 0.00 0.00 175.17 175.10 2qoe s ILE 327 N -1.03 2.38 -0.09 0.77 1.01 -1.26 -1.41 121.20 121.57 2qoe s ILE 327 Ca 0.15 -1.20 0.04 0.00 0.00 0.00 0.00 60.65 59.64 2qoe s ILE 327 Cb -0.12 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 2qoe s ILE 327 CO 0.04 0.23 -0.22 0.00 0.00 0.00 0.00 174.94 175.00 2qoe s ASP 329 N 0.17 4.67 0.10 0.00 1.11 -0.28 -0.60 116.67 121.82 2qoe s ASP 329 Ca -0.12 -0.02 -0.31 0.00 0.18 0.00 0.00 52.55 52.28 2qoe s ASP 329 Cb -0.16 -1.20 -0.07 0.00 1.07 0.00 0.00 42.92 42.56 2qoe s ASP 329 CO 0.07 0.36 1.30 -0.47 1.18 0.00 0.00 175.17 177.61 2qoe s TYR 330 N -0.77 3.33 -0.47 4.23 5.04 0.74 -1.48 117.35 127.97 2qoe s TYR 330 Ca 0.12 1.12 -0.14 0.00 -2.44 0.00 0.00 57.07 55.72 2qoe s TYR 330 Cb -0.11 -3.56 0.08 0.00 0.35 0.00 0.00 41.96 38.71 2qoe s TYR 330 CO 0.02 -1.88 0.38 0.34 -1.34 0.00 0.00 175.55 173.06 2qoe s ASP 331 N 1.03 6.04 0.43 4.32 2.15 0.94 -4.97 116.67 126.61 2qoe s ASP 331 Ca 0.62 -1.41 0.15 0.00 0.43 0.00 0.00 52.55 52.34 2qoe s ASP 331 Cb -0.34 -2.14 0.94 0.00 -0.30 0.00 0.00 42.92 41.08 2qoe s ASP 331 CO 0.30 -0.64 1.93 -0.08 -0.17 0.00 0.00 175.17 176.51 2qoe h GLU 332 N 8.69 0.00 0.00 4.34 4.81 -1.95 0.43 114.58 130.90 2qoe h GLU 332 Ca -0.27 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.84 2qoe h GLU 332 Cb 1.10 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 2qoe h GLU 332 CO 0.87 0.25 -0.62 0.66 -0.73 0.00 0.00 179.01 179.44 2qoe h SER 333 N 0.00 0.00 0.00 1.04 4.64 -1.96 -3.35 113.55 113.92 2qoe h SER 333 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qoe h SER 333 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2qoe h SER 333 CO 0.03 0.53 -0.95 -1.54 -0.87 0.00 0.00 176.83 174.04 2qoe n SER 334 N -3.20 1.65 -0.70 4.97 3.41 -0.96 -5.00 113.62 113.79 2qoe n SER 334 Ca 0.01 -0.35 -0.09 0.00 -0.26 0.00 0.00 58.87 58.17 2qoe n SER 334 Cb 0.76 1.22 -0.04 0.00 -0.26 0.00 0.00 64.21 65.89 2qoe n SER 334 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qoe n GLY 335 N 1.59 1.03 3.91 5.00 0.00 0.15 -5.01 105.19 111.87 2qoe n GLY 335 Ca -0.00 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 2qoe n GLY 335 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qoe s ARG 336 N -2.55 3.00 -0.24 1.61 1.81 -1.20 -4.89 118.95 116.48 2qoe s ARG 336 Ca 0.00 -1.08 -0.04 0.00 -1.72 0.00 0.00 55.73 52.89 2qoe s ARG 336 Cb 0.00 -2.67 0.00 0.00 -0.45 0.00 0.00 34.95 31.84 2qoe s ARG 336 CO 0.00 0.18 -0.03 -1.58 -0.68 0.00 0.00 175.30 173.19 2qoe s TRP 337 N -2.19 3.01 -0.15 -0.53 0.52 -1.26 -0.04 118.94 118.30 2qoe s TRP 337 Ca 0.40 -1.11 -0.02 0.00 0.02 0.00 0.00 56.10 55.38 2qoe s TRP 337 Cb -0.08 -2.11 -0.02 0.00 -1.15 0.00 0.00 33.47 30.11 2qoe s TRP 337 CO 0.28 -0.60 -0.07 -0.80 0.02 0.00 0.00 176.95 175.78 2qoe s ASN 338 N 1.44 4.48 -0.43 2.95 -0.87 -0.55 -4.89 114.94 117.07 2qoe s ASN 338 Ca 0.04 -0.22 -0.06 0.00 -1.57 0.00 0.00 52.86 51.05 2qoe s ASN 338 Cb -0.15 -1.72 0.11 0.00 -0.02 0.00 0.00 41.25 39.47 2qoe s ASN 338 CO -0.03 0.16 0.26 0.00 -2.57 0.00 0.00 177.10 174.92 2qoe s LEU 340 N 1.26 4.37 0.39 0.00 1.43 -1.25 -4.91 118.68 119.97 2qoe s LEU 340 Ca 0.06 2.54 0.14 0.00 -1.03 0.00 0.00 54.13 55.85 2qoe s LEU 340 Cb -0.24 -3.58 0.98 0.00 0.03 0.00 0.00 46.19 43.37 2qoe s LEU 340 CO -0.02 -0.83 1.85 0.58 0.23 0.00 0.00 176.35 178.16 2qoe h VAL 341 N 4.29 0.72 0.00 -1.59 2.07 -1.97 0.74 116.25 120.50 2qoe h VAL 341 Ca -0.42 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2qoe h VAL 341 Cb 1.20 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2qoe h VAL 341 CO 0.91 0.09 0.00 0.00 0.02 0.00 0.00 177.57 178.60 2qoe n ALA 342 N -2.47 1.31 -0.38 1.67 0.00 -1.26 -1.80 120.51 117.57 2qoe n ALA 342 Ca 0.19 0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.79 2qoe n ALA 342 Cb 0.63 -1.25 0.23 0.00 0.00 0.00 0.00 19.45 19.06 2qoe n ALA 342 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qoe n ARG 343 N -1.96 2.98 -2.61 0.00 1.74 0.25 -4.35 116.66 112.71 2qoe n ARG 343 Ca 0.01 -2.39 -0.40 0.00 -0.77 0.00 0.00 57.85 54.29 2qoe n ARG 343 Cb 0.10 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.00 2qoe n ARG 343 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qoe s GLN 344 N -1.35 4.74 -0.14 5.56 -0.21 -0.75 -4.04 119.66 123.48 2qoe s GLN 344 Ca 0.35 1.64 -0.00 0.00 0.02 0.00 0.00 55.36 57.37 2qoe s GLN 344 Cb 0.20 -3.24 0.03 0.00 1.00 0.00 0.00 33.01 31.00 2qoe s GLN 344 CO 0.20 0.35 -0.10 -1.01 -2.12 0.00 0.00 175.29 172.61 2qoe s HIS 345 N -1.07 1.85 -0.06 0.91 3.76 -0.76 -4.93 115.29 114.98 2qoe s HIS 345 Ca 0.43 -1.05 -0.16 0.00 -0.15 0.00 0.00 55.06 54.13 2qoe s HIS 345 Cb -0.29 -1.41 -0.05 0.00 1.11 0.00 0.00 32.58 31.94 2qoe s HIS 345 CO 0.36 -0.61 0.42 0.42 -0.85 0.00 0.00 174.74 174.48 2qoe s ILE 346 N 1.59 5.12 -0.16 0.60 1.01 -1.26 -0.73 121.20 127.36 2qoe s ILE 346 Ca 0.04 0.85 -0.00 0.00 0.00 0.00 0.00 60.65 61.53 2qoe s ILE 346 Cb -0.13 -3.74 0.04 0.00 0.01 0.00 0.00 42.46 38.63 2qoe s ILE 346 CO -0.09 0.46 -0.07 -0.70 0.00 0.00 0.00 174.94 174.54 2qoe s GLU 347 N -0.24 1.57 0.32 2.79 2.12 -0.27 -5.01 118.70 119.97 2qoe s GLU 347 Ca 0.24 -0.51 0.04 0.00 0.36 0.00 0.00 54.97 55.10 2qoe s GLU 347 Cb -0.16 -1.98 -0.06 0.00 0.26 0.00 0.00 34.13 32.19 2qoe s GLU 347 CO 0.11 -0.39 0.06 0.00 -0.54 0.00 0.00 175.26 174.50 2qoe s MET 348 N 1.61 1.63 -0.02 4.30 0.23 -1.26 -0.41 119.30 125.38 2qoe s MET 348 Ca 0.02 -1.90 0.01 0.00 -1.03 0.00 0.00 55.69 52.79 2qoe s MET 348 Cb -0.15 -0.83 0.01 0.00 -1.53 0.00 0.00 34.83 32.34 2qoe s MET 348 CO -0.08 -0.19 -0.03 0.45 -2.03 0.00 0.00 175.02 173.14 2qoe s SER 349 N -3.47 0.57 0.07 -1.18 0.15 -0.62 -4.97 113.70 104.25 2qoe s SER 349 Ca 0.36 -0.07 0.23 0.00 0.70 0.00 0.00 55.95 57.17 2qoe s SER 349 Cb 0.09 -0.19 0.07 0.00 -1.71 0.00 0.00 66.02 64.28 2qoe s SER 349 CO 0.15 -0.01 1.05 0.35 1.20 0.00 0.00 173.24 175.98 2qoe n THR 350 N 3.55 0.24 -0.05 6.45 -2.24 -1.26 -4.48 114.28 116.49 2qoe n THR 350 Ca -0.20 -0.29 -0.01 0.00 -2.27 0.00 0.00 64.05 61.28 2qoe n THR 350 Cb 0.54 0.08 -0.12 0.00 -2.10 0.00 0.00 70.33 68.73 2qoe n THR 350 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qoe n THR 351 N -2.08 0.59 -0.09 4.28 -2.24 -1.26 -5.08 114.28 108.39 2qoe n THR 351 Ca 0.02 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2qoe n THR 351 Cb 0.46 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 2qoe n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qoe n GLY 352 N 1.86 3.88 4.00 3.38 0.00 -1.26 -4.82 105.19 112.22 2qoe n GLY 352 Ca -0.15 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 2qoe n GLY 352 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2qoe s TRP 353 N 0.10 2.06 -0.17 1.61 -2.14 -1.26 -4.51 118.94 114.62 2qoe s TRP 353 Ca 0.00 -0.28 -0.13 0.00 2.66 0.00 0.00 56.10 58.35 2qoe s TRP 353 Cb 0.00 -2.73 -0.05 0.00 -3.10 0.00 0.00 33.47 27.60 2qoe s TRP 353 CO 0.00 -1.24 0.26 0.08 -2.66 0.00 0.00 176.95 173.39 2qoe s VAL 354 N -2.87 5.33 0.00 -0.66 1.01 0.00 -4.76 120.40 118.45 2qoe s VAL 354 Ca 0.62 0.46 0.00 0.00 0.00 0.00 0.00 61.98 63.06 2qoe s VAL 354 Cb -0.07 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.71 2qoe s VAL 354 CO 0.41 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.51 2qoe n GLY 355 N 3.47 -1.15 0.30 4.51 0.00 -1.26 -3.20 105.19 107.86 2qoe n GLY 355 Ca -0.13 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 2qoe n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qoe h ARG 356 N 0.00 -0.67 0.00 1.61 3.08 -1.94 -3.40 114.38 113.06 2qoe h ARG 356 Ca 0.00 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2qoe h ARG 356 Cb 0.00 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2qoe h ARG 356 CO 0.00 -0.42 -0.47 1.19 -1.07 0.00 0.00 179.97 179.20 2qoe n PHE 357 N -5.24 0.00 -3.57 3.04 3.72 -1.26 -4.89 117.46 109.26 2qoe n PHE 357 Ca -0.09 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.25 2qoe n PHE 357 Cb 0.29 -0.03 -0.02 0.00 -0.94 0.00 0.00 39.48 38.79 2qoe n PHE 357 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2qoe s ARG 358 N -1.62 0.60 0.28 -1.08 1.70 -1.25 -4.99 118.95 112.58 2qoe s ARG 358 Ca 0.01 -0.24 -0.29 0.00 -0.47 0.00 0.00 55.73 54.74 2qoe s ARG 358 Cb 0.03 0.26 -0.14 0.00 -0.57 0.00 0.00 34.95 34.53 2qoe s ARG 358 CO 0.16 -0.26 1.05 -2.30 -1.08 0.00 0.00 175.30 172.86 2qoe n PRO 359 N -0.21 1.39 -1.42 3.89 -0.02 -1.19 -4.24 135.00 133.20 2qoe n PRO 359 Ca -0.05 0.49 -0.30 0.00 -2.02 0.00 0.00 63.50 61.62 2qoe n PRO 359 Cb 0.60 -1.89 0.09 0.00 -0.02 0.00 0.00 33.50 32.28 2qoe n PRO 359 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2qoe s SER 360 N -0.47 4.53 0.17 2.55 1.04 -1.26 -4.91 113.70 115.35 2qoe s SER 360 Ca 0.60 1.55 -0.27 0.00 0.48 0.00 0.00 55.95 58.31 2qoe s SER 360 Cb -0.71 -2.30 -0.08 0.00 0.10 0.00 0.00 66.02 63.03 2qoe s SER 360 CO 0.59 -1.98 0.83 -0.70 0.98 0.00 0.00 173.24 172.97 2qoe s GLU 361 N -5.02 4.65 0.45 4.02 2.12 -1.26 -4.96 118.70 118.70 2qoe s GLU 361 Ca 0.61 1.26 -0.18 0.00 0.36 0.00 0.00 54.97 57.02 2qoe s GLU 361 Cb -0.16 -3.28 -0.09 0.00 0.26 0.00 0.00 34.13 30.86 2qoe s GLU 361 CO 0.55 0.51 0.92 -1.25 -0.54 0.00 0.00 175.26 175.45 2qoe s PRO 362 N -0.98 4.05 -0.35 4.30 0.04 -1.26 -4.60 135.00 136.20 2qoe s PRO 362 Ca 0.38 0.94 0.04 0.00 0.04 0.00 0.00 61.00 62.41 2qoe s PRO 362 Cb -0.24 -2.21 0.10 0.00 0.04 0.00 0.00 34.50 32.19 2qoe s PRO 362 CO 0.28 -0.10 0.06 -1.01 0.04 0.00 0.00 177.00 176.27 2qoe s HIS 363 N -2.35 3.68 0.42 0.56 3.76 0.62 -4.95 115.29 117.03 2qoe s HIS 363 Ca 0.59 -2.98 -0.23 0.00 -0.15 0.00 0.00 55.06 52.29 2qoe s HIS 363 Cb -0.10 -2.89 -0.08 0.00 1.11 0.00 0.00 32.58 30.62 2qoe s HIS 363 CO 0.22 -0.94 1.09 -0.06 -0.85 0.00 0.00 174.74 174.20 2qoe s PHE 364 N 0.87 3.13 1.03 1.40 0.40 -1.26 -1.06 117.98 122.48 2qoe s PHE 364 Ca 0.11 1.60 -0.14 0.00 -0.60 0.00 0.00 56.93 57.90 2qoe s PHE 364 Cb -0.19 -3.20 0.20 0.00 0.51 0.00 0.00 43.02 40.34 2qoe s PHE 364 CO -0.08 -0.92 1.12 0.95 0.70 0.00 0.00 175.22 177.00 2qoe s THR 365 N -1.64 1.90 0.20 0.64 -4.23 -0.79 -4.89 115.64 106.84 2qoe s THR 365 Ca 0.60 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 61.00 2qoe s THR 365 Cb -0.24 -2.59 0.14 0.00 1.34 0.00 0.00 72.50 71.15 2qoe s THR 365 CO 0.29 0.00 1.71 -0.07 -0.54 0.00 0.00 174.62 176.01 2qoe h LEU 366 N -1.96 -0.02 0.00 4.79 4.07 -1.92 -1.06 115.31 119.21 2qoe h LEU 366 Ca -0.51 0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.56 2qoe h LEU 366 Cb 1.32 0.15 0.00 0.00 1.08 0.00 0.00 40.66 43.20 2qoe h LEU 366 CO 0.52 0.01 0.00 -0.90 -1.08 0.00 0.00 178.44 176.99 2qoe n ASP 367 N -5.13 0.00 -1.23 -0.43 5.68 -1.26 -4.92 116.55 109.26 2qoe n ASP 367 Ca 0.07 0.32 -0.15 0.00 -0.50 0.00 0.00 54.79 54.53 2qoe n ASP 367 Cb 0.29 -0.44 -0.06 0.00 -1.14 0.00 0.00 41.12 39.77 2qoe n ASP 367 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qoe n GLY 368 N 1.08 1.34 0.05 6.12 0.00 -0.40 -4.89 105.19 108.49 2qoe n GLY 368 Ca 0.08 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 45.92 2qoe n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qoe n ASN 369 N -0.51 0.65 -3.90 1.61 3.02 -1.26 -4.90 115.26 109.97 2qoe n ASN 369 Ca -0.16 -0.04 -0.09 0.00 -0.03 0.00 0.00 54.58 54.26 2qoe n ASN 369 Cb 0.52 0.48 -0.07 0.00 -0.61 0.00 0.00 39.78 40.09 2qoe n ASN 369 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2qoe s SER 370 N -4.07 0.03 0.14 6.41 1.04 -1.26 -1.75 113.70 114.24 2qoe s SER 370 Ca 0.05 -0.76 -0.15 0.00 0.48 0.00 0.00 55.95 55.57 2qoe s SER 370 Cb 0.14 0.42 0.03 0.00 0.10 0.00 0.00 66.02 66.71 2qoe s SER 370 CO 0.76 -0.86 0.40 0.72 0.98 0.00 0.00 173.24 175.24 2qoe s PHE 371 N -3.93 -0.10 -0.05 5.02 -0.12 0.27 -1.88 117.98 117.19 2qoe s PHE 371 Ca 0.13 -0.23 0.03 0.00 -0.05 0.00 0.00 56.93 56.80 2qoe s PHE 371 Cb 0.03 0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 42.63 2qoe s PHE 371 CO -0.04 -0.73 -0.13 0.71 -0.05 0.00 0.00 175.22 174.98 2qoe s TYR 372 N -3.84 2.75 -0.16 3.49 1.51 -0.22 -0.13 117.35 120.75 2qoe s TYR 372 Ca 0.06 -0.13 -0.10 0.00 -1.01 0.00 0.00 57.07 55.89 2qoe s TYR 372 Cb 0.02 -1.65 0.05 0.00 -0.11 0.00 0.00 41.96 40.27 2qoe s TYR 372 CO -0.09 0.21 0.39 0.21 -1.11 0.00 0.00 175.55 175.16 2qoe s LYS 373 N -0.73 0.39 -0.04 -0.62 2.20 -0.29 -0.28 119.74 120.37 2qoe s LYS 373 Ca 0.11 0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 56.14 2qoe s LYS 373 Cb -0.11 0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.20 2qoe s LYS 373 CO 0.01 -0.13 1.25 0.42 -0.36 0.00 0.00 175.35 176.53 2qoe s ILE 374 N 1.11 4.11 0.06 5.43 1.01 -1.26 -0.40 121.20 131.27 2qoe s ILE 374 Ca -0.07 1.45 -0.02 0.00 0.00 0.00 0.00 60.65 62.01 2qoe s ILE 374 Cb -0.07 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 2qoe s ILE 374 CO -0.09 0.00 0.01 0.27 0.00 0.00 0.00 174.94 175.13 2qoe s ILE 375 N 2.24 0.20 -0.04 2.92 -4.36 -0.05 -4.56 121.20 117.54 2qoe s ILE 375 Ca 0.58 -1.73 -0.30 0.00 -0.26 0.00 0.00 60.65 58.94 2qoe s ILE 375 Cb -0.26 -1.53 -0.04 0.00 1.25 0.00 0.00 42.46 41.87 2qoe s ILE 375 CO 0.23 -0.91 1.31 -0.55 0.24 0.00 0.00 174.94 175.26 2qoe s SER 376 N -2.92 6.94 1.01 4.36 0.15 -1.26 -1.30 113.70 120.68 2qoe s SER 376 Ca 0.08 1.94 -0.10 0.00 0.70 0.00 0.00 55.95 58.58 2qoe s SER 376 Cb 0.07 -2.56 0.13 0.00 -1.71 0.00 0.00 66.02 61.96 2qoe s SER 376 CO -0.09 -0.67 0.75 -0.46 1.20 0.00 0.00 173.24 173.96 2qoe n ASN 377 N 5.48 -0.09 0.27 5.45 0.23 -0.34 -4.86 115.26 121.40 2qoe n ASN 377 Ca 0.12 -1.24 0.15 0.00 -0.53 0.00 0.00 54.58 53.09 2qoe n ASN 377 Cb 0.45 -0.58 0.75 0.00 -2.08 0.00 0.00 39.78 38.32 2qoe n ASN 377 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2qoe h GLU 378 N 0.00 0.00 -0.00 -3.83 4.39 -1.96 0.08 114.58 113.26 2qoe h GLU 378 Ca -0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.46 2qoe h GLU 378 Cb 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2qoe h GLU 378 CO 0.17 0.08 -0.18 0.39 -1.16 0.00 0.00 179.01 178.32 2qoe n GLU 379 N -3.35 0.31 -0.80 2.33 -0.58 -1.26 -4.95 120.64 112.34 2qoe n GLU 379 Ca -0.01 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 2qoe n GLU 379 Cb 0.26 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 2qoe n GLU 379 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qoe n GLY 380 N 1.40 0.53 3.84 0.62 0.00 0.02 -4.70 105.19 106.90 2qoe n GLY 380 Ca 0.10 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 2qoe n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qoe s TYR 381 N -2.00 3.55 -0.29 1.61 1.51 -1.26 0.07 117.35 120.54 2qoe s TYR 381 Ca 0.00 0.49 -0.28 0.00 -1.01 0.00 0.00 57.07 56.26 2qoe s TYR 381 Cb 0.00 -2.00 0.01 0.00 -0.11 0.00 0.00 41.96 39.86 2qoe s TYR 381 CO 0.00 0.62 1.04 1.03 -1.11 0.00 0.00 175.55 177.13 2qoe s ARG 382 N -0.67 4.11 0.20 -0.62 0.52 -1.26 -1.20 118.95 120.02 2qoe s ARG 382 Ca 0.13 1.10 -0.00 0.00 -0.52 0.00 0.00 55.73 56.44 2qoe s ARG 382 Cb -0.12 -3.71 -0.04 0.00 0.52 0.00 0.00 34.95 31.60 2qoe s ARG 382 CO 0.03 -0.81 0.09 -1.01 0.02 0.00 0.00 175.30 173.62 2qoe s HIS 383 N 3.46 1.20 -0.16 -0.53 3.76 -0.42 -0.99 115.29 121.61 2qoe s HIS 383 Ca 0.44 -1.25 -0.24 0.00 -0.15 0.00 0.00 55.06 53.86 2qoe s HIS 383 Cb -0.13 -0.65 -0.02 0.00 1.11 0.00 0.00 32.58 32.89 2qoe s HIS 383 CO 0.13 -0.48 0.75 0.42 -0.85 0.00 0.00 174.74 174.71 2qoe s ILE 384 N -3.97 4.95 -0.01 0.60 1.01 -1.26 -0.88 121.20 121.65 2qoe s ILE 384 Ca 0.33 1.47 0.02 0.00 0.00 0.00 0.00 60.65 62.48 2qoe s ILE 384 Cb 0.07 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 2qoe s ILE 384 CO 0.09 0.08 -0.04 0.00 0.00 0.00 0.00 174.94 175.07 2qoe s TYR 386 N -1.01 3.05 -0.03 0.00 5.04 0.11 -1.14 117.35 123.36 2qoe s TYR 386 Ca 0.17 -0.59 0.02 0.00 -2.44 0.00 0.00 57.07 54.23 2qoe s TYR 386 Cb -0.11 -2.20 -0.03 0.00 0.35 0.00 0.00 41.96 39.97 2qoe s TYR 386 CO 0.08 -0.42 -0.08 -0.06 -1.34 0.00 0.00 175.55 173.73 2qoe s PHE 387 N 1.57 2.88 0.14 4.97 0.08 0.81 -1.26 117.98 127.18 2qoe s PHE 387 Ca 0.06 -0.03 -0.15 0.00 0.12 0.00 0.00 56.93 56.93 2qoe s PHE 387 Cb -0.15 -1.65 -0.07 0.00 -0.57 0.00 0.00 43.02 40.58 2qoe s PHE 387 CO 0.02 0.33 0.56 -0.65 -0.10 0.00 0.00 175.22 175.38 2qoe s GLN 388 N -1.09 4.03 0.40 0.44 -1.52 -1.26 -0.56 119.66 120.09 2qoe s GLN 388 Ca 0.14 0.55 0.08 0.00 -1.95 0.00 0.00 55.36 54.18 2qoe s GLN 388 Cb -0.11 -2.96 0.81 0.00 -0.22 0.00 0.00 33.01 30.53 2qoe s GLN 388 CO 0.04 0.49 1.99 -0.84 -0.25 0.00 0.00 175.29 176.72 2qoe h ILE 389 N 2.89 1.13 -0.65 1.08 3.07 -1.70 -2.64 117.51 120.70 2qoe h ILE 389 Ca -0.49 -0.45 -0.44 0.00 1.55 0.00 0.00 64.86 65.03 2qoe h ILE 389 Cb 1.20 0.81 -0.29 0.00 -0.27 0.00 0.00 36.82 38.27 2qoe h ILE 389 CO 0.65 0.17 -0.29 -0.90 -1.05 0.00 0.00 178.15 176.73 2qoe n ASP 390 N -4.39 4.60 -4.08 2.16 5.68 -1.26 -4.24 116.55 115.02 2qoe n ASP 390 Ca 0.01 -3.78 -0.22 0.00 -0.50 0.00 0.00 54.79 50.30 2qoe n ASP 390 Cb 0.15 -0.55 -0.15 0.00 -1.14 0.00 0.00 41.12 39.43 2qoe n ASP 390 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2qoe s LYS 391 N -3.53 1.21 0.06 0.11 1.02 -0.99 -4.92 119.74 112.70 2qoe s LYS 391 Ca 0.51 -0.46 -0.16 0.00 0.02 0.00 0.00 55.97 55.88 2qoe s LYS 391 Cb 0.43 -1.12 -0.16 0.00 -0.52 0.00 0.00 37.83 36.45 2qoe s LYS 391 CO 0.01 0.22 1.27 -0.22 -0.92 0.00 0.00 175.35 175.72 2qoe h LYS 392 N 6.09 0.61 -5.88 1.68 3.64 -1.90 -3.41 116.57 117.39 2qoe h LYS 392 Ca -0.33 -0.47 -0.57 0.00 -1.27 0.00 0.00 60.65 58.00 2qoe h LYS 392 Cb 1.17 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 33.01 2qoe h LYS 392 CO 0.49 1.09 0.14 -0.51 -2.27 0.00 0.00 179.45 178.39 2qoe s ASP 393 N -6.76 6.87 0.34 4.20 1.01 -1.26 -5.01 116.67 116.06 2qoe s ASP 393 Ca -0.12 1.05 0.02 0.00 0.71 0.00 0.00 52.55 54.21 2qoe s ASP 393 Cb 0.07 -2.39 -0.03 0.00 1.01 0.00 0.00 42.92 41.58 2qoe s ASP 393 CO 0.85 -0.21 0.52 0.00 0.21 0.00 0.00 175.17 176.54 2qoe s THR 395 N -2.27 3.25 0.08 0.00 2.01 -0.39 -4.86 115.64 113.47 2qoe s THR 395 Ca 0.40 -0.55 -0.31 0.00 0.31 0.00 0.00 61.69 61.55 2qoe s THR 395 Cb -0.09 -2.45 -0.07 0.00 0.01 0.00 0.00 72.50 69.90 2qoe s THR 395 CO 0.34 0.46 1.29 -0.36 -0.69 0.00 0.00 174.62 175.67 2qoe s PHE 396 N 1.14 3.31 -0.18 4.92 0.08 -1.26 0.04 117.98 126.03 2qoe s PHE 396 Ca 0.01 1.12 0.18 0.00 0.12 0.00 0.00 56.93 58.37 2qoe s PHE 396 Cb -0.14 -3.55 -0.27 0.00 -0.57 0.00 0.00 43.02 38.49 2qoe s PHE 396 CO -0.02 -1.83 0.48 0.44 -0.10 0.00 0.00 175.22 174.19 2qoe n ILE 397 N 4.00 0.00 -4.41 0.64 -5.35 0.08 -4.94 119.36 109.38 2qoe n ILE 397 Ca 0.10 -0.36 -0.22 0.00 -0.27 0.00 0.00 62.75 62.01 2qoe n ILE 397 Cb 0.44 0.25 -0.10 0.00 -1.74 0.00 0.00 39.64 38.50 2qoe n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2qoe s THR 398 N -3.18 2.14 0.06 7.28 -4.23 -1.24 -4.91 115.64 111.56 2qoe s THR 398 Ca -0.04 -2.27 -0.26 0.00 -1.18 0.00 0.00 61.69 57.94 2qoe s THR 398 Cb 0.12 -2.15 0.09 0.00 1.34 0.00 0.00 72.50 71.90 2qoe s THR 398 CO 0.77 -0.44 0.75 -1.59 -0.54 0.00 0.00 174.62 173.56 2qoe s LYS 399 N -3.43 1.03 0.00 3.99 -2.85 -1.26 -4.58 119.74 112.64 2qoe s LYS 399 Ca 0.25 -0.32 0.00 0.00 -1.00 0.00 0.00 55.97 54.90 2qoe s LYS 399 Cb -0.04 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.21 2qoe s LYS 399 CO 0.11 -0.44 0.00 0.41 0.10 0.00 0.00 175.35 175.53 2qoe n GLY 400 N -0.19 1.64 2.89 0.59 0.00 -1.26 -4.93 105.19 103.93 2qoe n GLY 400 Ca -0.13 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.42 2qoe n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qoe n THR 401 N -1.57 4.77 -3.82 2.61 -2.24 -1.26 -4.77 114.28 108.01 2qoe n THR 401 Ca 0.00 -4.97 -0.03 0.00 -2.27 0.00 0.00 64.05 56.78 2qoe n THR 401 Cb 0.00 -2.23 0.00 0.00 -2.10 0.00 0.00 70.33 66.00 2qoe n THR 401 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 2qoe s TRP 402 N -0.90 -0.01 0.03 4.78 1.48 -1.26 -5.04 118.94 118.02 2qoe s TRP 402 Ca 0.37 -0.34 0.04 0.00 -1.06 0.00 0.00 56.10 55.10 2qoe s TRP 402 Cb 0.09 0.67 -0.02 0.00 -1.16 0.00 0.00 33.47 33.05 2qoe s TRP 402 CO 0.04 -0.86 -0.11 -1.21 -4.06 0.00 0.00 176.95 170.75 2qoe s GLU 403 N -2.60 0.75 -0.02 3.25 2.02 -1.26 -4.49 118.70 116.34 2qoe s GLU 403 Ca 0.18 -0.67 -0.30 0.00 0.02 0.00 0.00 54.97 54.20 2qoe s GLU 403 Cb -0.02 -0.69 -0.04 0.00 0.10 0.00 0.00 34.13 33.49 2qoe s GLU 403 CO 0.04 0.17 1.13 0.08 0.02 0.00 0.00 175.26 176.69 2qoe s VAL 404 N -0.87 4.40 -0.12 2.63 1.01 -0.16 -2.40 120.40 124.89 2qoe s VAL 404 Ca -0.01 1.71 -0.24 0.00 0.00 0.00 0.00 61.98 63.44 2qoe s VAL 404 Cb -0.07 -4.10 -0.27 0.00 0.00 0.00 0.00 36.38 31.94 2qoe s VAL 404 CO 0.01 0.07 0.68 0.40 0.00 0.00 0.00 175.10 176.26 2qoe h ILE 405 N 4.84 1.46 -1.91 2.22 1.08 -0.54 -3.45 117.51 121.21 2qoe h ILE 405 Ca -0.37 -2.38 -0.03 0.00 -0.39 0.00 0.00 64.86 61.69 2qoe h ILE 405 Cb 1.19 3.06 -0.20 0.00 -3.07 0.00 0.00 36.82 37.79 2qoe h ILE 405 CO 0.83 0.61 0.25 -0.83 -0.69 0.00 0.00 178.15 178.32 2qoe s GLY 406 N -4.49 -0.51 -0.09 5.37 0.00 -1.18 -5.01 107.32 101.41 2qoe s GLY 406 Ca -0.19 1.53 -0.27 0.00 0.00 0.00 0.00 44.72 45.78 2qoe s GLY 406 CO 0.72 1.05 0.89 -0.42 0.00 0.00 0.00 173.10 175.35 2qoe s ILE 407 N -1.03 4.88 -0.17 0.90 1.01 -1.26 -1.60 121.20 123.94 2qoe s ILE 407 Ca -0.08 1.81 0.02 0.00 0.00 0.00 0.00 60.65 62.40 2qoe s ILE 407 Cb -0.01 -4.21 -0.12 0.00 0.01 0.00 0.00 42.46 38.14 2qoe s ILE 407 CO 0.07 0.10 -0.13 -0.62 0.00 0.00 0.00 174.94 174.36 2qoe n GLU 408 N 4.57 0.56 -3.61 2.79 -0.58 0.44 -4.99 120.64 119.82 2qoe n GLU 408 Ca 0.05 0.09 -0.12 0.00 -0.42 0.00 0.00 57.16 56.75 2qoe n GLU 408 Cb 0.50 -1.34 -0.05 0.00 -0.57 0.00 0.00 31.44 29.98 2qoe n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qoe s ALA 409 N -2.34 -1.11 -0.08 0.62 0.00 -1.06 -4.85 121.76 112.95 2qoe s ALA 409 Ca -0.21 0.28 -0.03 0.00 0.00 0.00 0.00 51.96 52.00 2qoe s ALA 409 Cb 0.06 0.50 0.04 0.00 0.00 0.00 0.00 23.12 23.72 2qoe s ALA 409 CO 0.41 -0.55 0.16 -1.17 0.00 0.00 0.00 175.76 174.60 2qoe s LEU 410 N -2.30 0.14 0.51 0.00 2.96 -1.26 -0.12 118.68 118.61 2qoe s LEU 410 Ca -0.02 0.33 0.02 0.00 -0.22 0.00 0.00 54.13 54.24 2qoe s LEU 410 Cb 0.00 0.30 -0.01 0.00 0.50 0.00 0.00 46.19 46.99 2qoe s LEU 410 CO -0.06 -0.22 0.06 0.42 -1.32 0.00 0.00 176.35 175.24 2qoe s THR 411 N 1.99 1.27 0.35 3.68 -4.23 0.19 -4.97 115.64 113.91 2qoe s THR 411 Ca -0.00 -1.92 0.38 0.00 -1.18 0.00 0.00 61.69 58.97 2qoe s THR 411 Cb -0.12 -2.19 0.41 0.00 1.34 0.00 0.00 72.50 71.95 2qoe s THR 411 CO -0.06 0.00 2.15 0.77 -0.54 0.00 0.00 174.62 176.94 2qoe h SER 412 N 1.27 0.00 0.00 3.99 4.64 -2.01 -3.27 113.55 118.17 2qoe h SER 412 Ca -0.43 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.65 2qoe h SER 412 Cb 1.31 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.36 2qoe h SER 412 CO 0.72 0.00 -1.94 0.47 -0.87 0.00 0.00 176.83 175.21 2qoe n ASP 413 N -3.10 1.56 -4.01 4.97 8.00 -1.26 -4.84 116.55 117.87 2qoe n ASP 413 Ca -0.01 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.38 2qoe n ASP 413 Cb 0.21 0.89 -0.11 0.00 -0.02 0.00 0.00 41.12 42.08 2qoe n ASP 413 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2qoe s TYR 414 N -2.38 0.42 -0.09 1.24 1.51 -1.24 -1.22 117.35 115.59 2qoe s TYR 414 Ca -0.07 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 55.52 2qoe s TYR 414 Cb 0.04 -0.27 -0.01 0.00 -0.11 0.00 0.00 41.96 41.61 2qoe s TYR 414 CO 0.57 -0.14 -0.17 -1.17 -1.11 0.00 0.00 175.55 173.53 2qoe s LEU 415 N -1.45 2.50 -0.17 -1.29 0.20 -0.93 -0.64 118.68 116.90 2qoe s LEU 415 Ca -0.13 -0.37 -0.06 0.00 0.69 0.00 0.00 54.13 54.27 2qoe s LEU 415 Cb -0.10 -1.52 -0.03 0.00 -0.43 0.00 0.00 46.19 44.11 2qoe s LEU 415 CO -0.00 0.22 0.01 -0.31 -0.29 0.00 0.00 176.35 175.98 2qoe s TYR 416 N 0.02 3.14 0.06 5.38 1.51 0.83 -1.13 117.35 127.16 2qoe s TYR 416 Ca -0.06 -0.11 -0.06 0.00 -1.01 0.00 0.00 57.07 55.83 2qoe s TYR 416 Cb -0.15 -2.02 -0.01 0.00 -0.11 0.00 0.00 41.96 39.67 2qoe s TYR 416 CO 0.05 0.06 0.10 1.52 -1.11 0.00 0.00 175.55 176.17 2qoe s TYR 417 N 0.36 0.26 -0.16 2.71 -0.85 0.44 -0.42 117.35 119.69 2qoe s TYR 417 Ca -0.01 -0.67 -0.08 0.00 -0.52 0.00 0.00 57.07 55.79 2qoe s TYR 417 Cb -0.13 -0.17 -0.04 0.00 0.38 0.00 0.00 41.96 41.99 2qoe s TYR 417 CO 0.02 -0.44 0.14 0.42 -1.52 0.00 0.00 175.55 174.17 2qoe s ILE 418 N -3.40 5.46 0.15 -3.49 -1.09 -0.63 -0.21 121.20 117.99 2qoe s ILE 418 Ca 0.02 0.20 -0.05 0.00 -2.23 0.00 0.00 60.65 58.59 2qoe s ILE 418 Cb 0.03 -3.43 -0.03 0.00 -1.58 0.00 0.00 42.46 37.45 2qoe s ILE 418 CO -0.08 0.53 0.17 -0.94 -1.23 0.00 0.00 174.94 173.39 2qoe s SER 419 N -0.37 0.17 -0.37 3.58 1.04 -0.56 0.23 113.70 117.43 2qoe s SER 419 Ca 0.12 -1.06 0.07 0.00 0.48 0.00 0.00 55.95 55.56 2qoe s SER 419 Cb -0.12 0.37 0.68 0.00 0.10 0.00 0.00 66.02 67.05 2qoe s SER 419 CO 0.01 -0.82 1.80 -0.46 0.98 0.00 0.00 173.24 174.76 2qoe n ASN 420 N -0.16 4.05 -0.27 7.02 0.23 -1.01 -1.62 115.26 123.50 2qoe n ASN 420 Ca -0.06 -3.45 -0.05 0.00 -0.53 0.00 0.00 54.58 50.48 2qoe n ASN 420 Cb 0.63 -0.77 0.06 0.00 -2.08 0.00 0.00 39.78 37.63 2qoe n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2qoe h GLU 421 N 1.71 1.03 -6.60 -3.83 4.81 -1.84 -3.33 114.58 106.53 2qoe h GLU 421 Ca 0.41 -0.12 -0.55 0.00 -0.13 0.00 0.00 59.36 58.97 2qoe h GLU 421 Cb 2.46 -0.20 0.06 0.00 0.63 0.00 0.00 28.75 31.70 2qoe h GLU 421 CO 0.84 0.77 0.91 0.98 -0.73 0.00 0.00 179.01 181.78 2qoe n TYR 422 N -4.46 2.55 -1.28 0.92 9.36 -1.26 -1.44 117.16 121.54 2qoe n TYR 422 Ca 0.06 0.15 -0.12 0.00 3.32 0.00 0.00 57.90 61.32 2qoe n TYR 422 Cb 0.09 -2.61 -0.05 0.00 -0.63 0.00 0.00 39.34 36.14 2qoe n TYR 422 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2qoe n LYS 423 N 3.63 -1.46 -2.40 2.98 5.02 -1.26 -1.81 118.16 122.86 2qoe n LYS 423 Ca 0.16 0.77 -0.19 0.00 -2.02 0.00 0.00 58.31 57.03 2qoe n LYS 423 Cb 0.32 -4.97 -0.01 0.00 -0.02 0.00 0.00 35.03 30.36 2qoe n LYS 423 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qoe n GLY 424 N -0.08 -0.48 3.44 0.72 0.00 -0.52 -4.96 105.19 103.31 2qoe n GLY 424 Ca -0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.46 2qoe n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qoe s MET 425 N -5.03 3.07 0.60 1.61 -1.94 -0.75 -4.95 119.30 111.91 2qoe s MET 425 Ca 0.00 -0.99 0.36 0.00 -1.71 0.00 0.00 55.69 53.34 2qoe s MET 425 Cb 0.00 -4.07 1.90 0.00 2.01 0.00 0.00 34.83 34.68 2qoe s MET 425 CO 0.00 -1.04 2.21 -1.35 -0.01 0.00 0.00 175.02 174.83 2qoe h PRO 426 N 8.83 0.00 -0.68 2.03 0.11 -1.90 -2.13 132.00 138.27 2qoe h PRO 426 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2qoe h PRO 426 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2qoe h PRO 426 CO 0.88 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 179.11 2qoe n GLY 427 N -0.84 2.21 3.82 -0.55 0.00 -1.26 -4.87 105.19 103.71 2qoe n GLY 427 Ca -0.02 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 2qoe n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qoe s GLY 428 N -0.99 1.42 -0.04 -0.02 0.00 -0.80 -2.04 107.32 104.86 2qoe s GLY 428 Ca 0.46 -1.43 -0.01 0.00 0.00 0.00 0.00 44.72 43.74 2qoe s GLY 428 CO 0.30 -1.46 0.08 0.50 0.00 0.00 0.00 173.10 172.51 2qoe s ARG 429 N -3.85 0.03 0.02 2.90 1.81 0.20 -4.15 118.95 115.91 2qoe s ARG 429 Ca 0.33 0.24 -0.02 0.00 -1.72 0.00 0.00 55.73 54.55 2qoe s ARG 429 Cb -0.08 -0.17 -0.02 0.00 -0.45 0.00 0.00 34.95 34.24 2qoe s ARG 429 CO 0.25 -0.14 0.02 -0.80 -0.68 0.00 0.00 175.30 173.95 2qoe s ASN 430 N 0.92 0.19 -0.04 0.23 0.01 -0.64 -0.98 114.94 114.64 2qoe s ASN 430 Ca -0.07 -0.45 -0.24 0.00 -0.71 0.00 0.00 52.86 51.38 2qoe s ASN 430 Cb -0.10 0.14 -0.04 0.00 0.41 0.00 0.00 41.25 41.66 2qoe s ASN 430 CO -0.04 -0.34 0.74 -0.22 -1.51 0.00 0.00 177.10 175.74 2qoe s LEU 431 N -1.54 4.34 0.14 0.60 2.96 -1.26 -1.50 118.68 122.43 2qoe s LEU 431 Ca -0.14 1.28 0.07 0.00 -0.22 0.00 0.00 54.13 55.12 2qoe s LEU 431 Cb -0.08 -3.16 -0.04 0.00 0.50 0.00 0.00 46.19 43.41 2qoe s LEU 431 CO -0.01 -0.11 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.44 2qoe s TYR 432 N 0.69 1.58 0.06 5.38 1.51 0.71 -0.05 117.35 127.23 2qoe s TYR 432 Ca 0.39 -0.52 0.08 0.00 -1.01 0.00 0.00 57.07 56.01 2qoe s TYR 432 Cb -0.19 -0.81 -0.03 0.00 -0.11 0.00 0.00 41.96 40.83 2qoe s TYR 432 CO 0.20 0.22 -0.22 -1.59 -1.11 0.00 0.00 175.55 173.06 2qoe s LYS 433 N -2.76 1.36 -0.08 -0.62 -2.85 -0.60 -0.42 119.74 113.77 2qoe s LYS 433 Ca 0.12 -1.04 0.04 0.00 -1.00 0.00 0.00 55.97 54.09 2qoe s LYS 433 Cb -0.05 -1.55 0.00 0.00 -2.06 0.00 0.00 37.83 34.17 2qoe s LYS 433 CO 0.04 0.39 -0.21 -1.50 0.10 0.00 0.00 175.35 174.17 2qoe s ILE 434 N -0.91 1.78 -0.13 3.79 2.07 -0.28 -1.31 121.20 126.20 2qoe s ILE 434 Ca 0.08 -0.87 -0.29 0.00 -1.41 0.00 0.00 60.65 58.16 2qoe s ILE 434 Cb -0.09 -1.55 -0.03 0.00 0.13 0.00 0.00 42.46 40.92 2qoe s ILE 434 CO 0.03 0.50 1.43 -1.58 -1.91 0.00 0.00 174.94 173.40 2qoe s GLN 435 N 0.35 4.17 0.50 3.50 0.74 -0.80 -2.19 119.66 125.93 2qoe s GLN 435 Ca -0.15 1.84 0.29 0.00 0.05 0.00 0.00 55.36 57.38 2qoe s GLN 435 Cb -0.17 -3.87 1.24 0.00 1.10 0.00 0.00 33.01 31.32 2qoe s GLN 435 CO 0.07 -0.81 1.95 -0.07 -0.55 0.00 0.00 175.29 175.88 2qoe h LEU 436 N 10.08 0.00 -0.05 3.68 3.38 -1.49 -2.45 115.31 128.46 2qoe h LEU 436 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2qoe h LEU 436 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2qoe h LEU 436 CO 0.97 0.12 -0.40 -1.54 0.09 0.00 0.00 178.44 177.68 2qoe n SER 437 N -3.32 0.48 -3.20 -0.43 3.41 -1.26 -4.71 113.62 104.59 2qoe n SER 437 Ca -0.00 -0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 2qoe n SER 437 Cb 0.34 0.13 -0.01 0.00 -0.26 0.00 0.00 64.21 64.40 2qoe n SER 437 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2qoe s ASP 438 N -2.94 -1.20 0.10 4.04 -1.08 -0.93 -5.03 116.67 109.63 2qoe s ASP 438 Ca 0.13 -0.25 0.16 0.00 -0.52 0.00 0.00 52.55 52.07 2qoe s ASP 438 Cb 0.18 1.82 0.68 0.00 -1.46 0.00 0.00 42.92 44.14 2qoe s ASP 438 CO 0.66 -0.27 1.48 -1.22 0.52 0.00 0.00 175.17 176.34 2qoe n TYR 439 N 5.08 0.30 0.63 -5.34 4.01 -1.21 -1.65 117.16 118.98 2qoe n TYR 439 Ca 0.06 0.13 0.12 0.00 -0.16 0.00 0.00 57.90 58.05 2qoe n TYR 439 Cb 0.54 -0.71 0.46 0.00 -0.31 0.00 0.00 39.34 39.32 2qoe n TYR 439 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2qoe n THR 440 N -1.78 0.59 -3.29 -0.72 -2.24 -1.26 -4.49 114.28 101.08 2qoe n THR 440 Ca 0.02 -0.03 -0.47 0.00 -2.27 0.00 0.00 64.05 61.31 2qoe n THR 440 Cb 0.15 -0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 67.59 2qoe n THR 440 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2qoe s LYS 441 N -3.13 3.60 -0.17 -0.78 1.02 -0.66 -5.01 119.74 114.62 2qoe s LYS 441 Ca 0.09 -2.40 -0.01 0.00 0.02 0.00 0.00 55.97 53.67 2qoe s LYS 441 Cb 0.13 -4.47 -0.01 0.00 -0.52 0.00 0.00 37.83 32.96 2qoe s LYS 441 CO 0.49 -1.34 -0.11 0.08 -0.92 0.00 0.00 175.35 173.55 2qoe s VAL 442 N 0.40 2.96 -0.17 3.17 1.01 -1.26 -1.90 120.40 124.60 2qoe s VAL 442 Ca 0.19 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 2qoe s VAL 442 Cb -0.10 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 34.00 2qoe s VAL 442 CO -0.09 0.49 -0.15 -0.89 0.00 0.00 0.00 175.10 174.46 2qoe s THR 443 N 0.96 2.59 -0.08 3.92 2.01 -0.43 -4.99 115.64 119.62 2qoe s THR 443 Ca -0.02 -0.78 -0.30 0.00 0.31 0.00 0.00 61.69 60.90 2qoe s THR 443 Cb -0.15 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 2qoe s THR 443 CO -0.01 0.51 1.06 0.00 -0.69 0.00 0.00 174.62 175.49 2qoe n LEU 445 N 4.96 0.36 -0.00 0.00 4.77 0.93 -4.53 117.00 123.50 2qoe n LEU 445 Ca 0.09 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2qoe n LEU 445 Cb 0.48 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2qoe n LEU 445 CO 0.53 0.02 -0.33 -1.54 -1.33 0.00 0.00 177.39 174.74 2qoe n SER 446 N -2.16 3.22 -0.22 -1.43 3.41 -1.19 -4.80 113.62 110.45 2qoe n SER 446 Ca -0.01 -0.18 0.02 0.00 -0.26 0.00 0.00 58.87 58.44 2qoe n SER 446 Cb 0.51 1.00 0.13 0.00 -0.26 0.00 0.00 64.21 65.60 2qoe n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qoe n GLU 448 N -5.05 2.19 -0.04 0.00 -0.58 -1.26 -4.26 120.64 111.64 2qoe n GLU 448 Ca 0.10 -2.02 -0.10 0.00 -0.42 0.00 0.00 57.16 54.72 2qoe n GLU 448 Cb 0.34 -1.43 -0.04 0.00 -0.57 0.00 0.00 31.44 29.74 2qoe n GLU 448 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2qoe h LEU 449 N 3.85 0.21 -5.33 -4.62 3.38 -1.81 -3.40 115.31 107.58 2qoe h LEU 449 Ca 0.00 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 2qoe h LEU 449 Cb 0.87 -0.05 -0.18 0.00 0.09 0.00 0.00 40.66 41.39 2qoe h LEU 449 CO 0.00 0.17 -0.52 0.21 0.09 0.00 0.00 178.44 178.39 2qoe s ASN 450 N -5.38 -1.22 0.40 -0.43 3.84 -1.26 -5.06 114.94 105.83 2qoe s ASN 450 Ca -0.13 -1.61 0.11 0.00 0.21 0.00 0.00 52.86 51.44 2qoe s ASN 450 Cb 0.08 1.73 0.83 0.00 -0.55 0.00 0.00 41.25 43.34 2qoe s ASN 450 CO 0.69 -0.09 1.92 -0.65 -2.79 0.00 0.00 177.10 176.18 2qoe h PRO 451 N 5.52 0.15 -0.00 0.43 0.11 -1.77 0.40 132.00 136.84 2qoe h PRO 451 Ca 0.07 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 65.91 2qoe h PRO 451 Cb 1.11 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.21 2qoe h PRO 451 CO 0.06 0.33 -0.97 1.49 -0.21 0.00 0.00 178.00 178.70 2qoe h GLU 452 N 0.15 0.48 0.02 1.05 4.81 -1.97 -3.35 114.58 115.77 2qoe h GLU 452 Ca 0.03 -0.52 -0.30 0.00 -0.13 0.00 0.00 59.36 58.43 2qoe h GLU 452 Cb 0.39 0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.87 2qoe h GLU 452 CO 0.03 1.16 -1.77 -2.13 -0.73 0.00 0.00 179.01 175.57 2qoe n ARG 453 N -3.77 0.65 -3.81 1.92 0.63 -1.02 -4.57 116.66 106.69 2qoe n ARG 453 Ca -0.08 0.28 -0.29 0.00 -0.92 0.00 0.00 57.85 56.84 2qoe n ARG 453 Cb 0.85 -1.77 -0.16 0.00 0.45 0.00 0.00 32.46 31.83 2qoe n ARG 453 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qoe n GLN 455 N 4.84 -0.46 -3.65 0.00 6.02 0.12 -4.43 117.38 119.82 2qoe n GLN 455 Ca -0.07 -0.32 -0.28 0.00 -0.01 0.00 0.00 57.00 56.32 2qoe n GLN 455 Cb 0.44 -0.78 -0.16 0.00 1.02 0.00 0.00 30.24 30.76 2qoe n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2qoe s TYR 456 N -0.03 0.69 0.10 1.08 6.14 -0.85 -0.63 117.35 123.86 2qoe s TYR 456 Ca 0.00 -0.81 0.09 0.00 0.64 0.00 0.00 57.07 57.00 2qoe s TYR 456 Cb 0.00 -0.98 -0.04 0.00 0.42 0.00 0.00 41.96 41.36 2qoe s TYR 456 CO 0.00 -0.66 -0.22 0.71 0.64 0.00 0.00 175.55 176.02 2qoe s TYR 457 N 1.97 2.44 0.34 4.97 2.02 -0.15 -0.82 117.35 128.13 2qoe s TYR 457 Ca 0.04 -0.32 0.05 0.00 -0.37 0.00 0.00 57.07 56.47 2qoe s TYR 457 Cb -0.17 -1.34 -0.07 0.00 -0.40 0.00 0.00 41.96 39.99 2qoe s TYR 457 CO -0.17 0.32 0.04 -1.54 -1.57 0.00 0.00 175.55 172.63 2qoe s SER 458 N -1.91 2.74 0.02 2.29 1.04 -0.43 -4.59 113.70 112.85 2qoe s SER 458 Ca 0.16 -1.37 -0.01 0.00 0.48 0.00 0.00 55.95 55.21 2qoe s SER 458 Cb -0.10 -0.16 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 2qoe s SER 458 CO 0.07 -0.56 -0.01 0.54 0.98 0.00 0.00 173.24 174.26 2qoe s VAL 459 N -3.15 0.10 -0.21 5.02 0.11 -1.26 -0.75 120.40 120.26 2qoe s VAL 459 Ca 0.36 -0.87 -0.01 0.00 -2.93 0.00 0.00 61.98 58.54 2qoe s VAL 459 Cb 0.09 -0.28 0.06 0.00 -1.53 0.00 0.00 36.38 34.72 2qoe s VAL 459 CO 0.16 -0.48 -0.02 -0.55 -3.33 0.00 0.00 175.10 170.88 2qoe s SER 460 N -1.42 3.33 0.23 3.54 0.15 0.11 -4.97 113.70 114.66 2qoe s SER 460 Ca -0.16 -0.96 -0.16 0.00 0.70 0.00 0.00 55.95 55.38 2qoe s SER 460 Cb -0.10 -0.92 -0.08 0.00 -1.71 0.00 0.00 66.02 63.22 2qoe s SER 460 CO -0.01 -0.25 0.67 -0.36 1.20 0.00 0.00 173.24 174.49 2qoe s PHE 461 N 1.61 3.55 1.04 3.44 0.40 -1.26 -0.64 117.98 126.11 2qoe s PHE 461 Ca -0.03 1.21 -0.13 0.00 -0.60 0.00 0.00 56.93 57.39 2qoe s PHE 461 Cb -0.18 -2.50 0.21 0.00 0.51 0.00 0.00 43.02 41.07 2qoe s PHE 461 CO -0.07 0.30 1.08 -1.54 0.70 0.00 0.00 175.22 175.69 2qoe s SER 462 N -1.88 2.24 0.24 1.36 1.04 0.02 -4.87 113.70 111.84 2qoe s SER 462 Ca 0.45 1.20 -0.13 0.00 0.48 0.00 0.00 55.95 57.94 2qoe s SER 462 Cb -0.14 -1.88 0.31 0.00 0.10 0.00 0.00 66.02 64.41 2qoe s SER 462 CO 0.20 -3.37 1.59 0.11 0.98 0.00 0.00 173.24 172.74 2qoe h LYS 463 N -2.06 -0.02 -0.50 4.02 1.79 -1.67 -0.11 116.57 118.02 2qoe h LYS 463 Ca -0.56 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 57.70 2qoe h LYS 463 Cb 1.34 0.01 -0.13 0.00 -1.58 0.00 0.00 32.23 31.86 2qoe h LYS 463 CO 0.57 -0.02 0.11 0.39 -1.08 0.00 0.00 179.45 179.42 2qoe n GLU 464 N -5.51 2.33 -2.02 3.15 -0.58 -1.26 -4.95 120.64 111.79 2qoe n GLU 464 Ca 0.11 -3.08 -0.19 0.00 -0.42 0.00 0.00 57.16 53.57 2qoe n GLU 464 Cb 0.41 -1.93 -0.04 0.00 -0.57 0.00 0.00 31.44 29.30 2qoe n GLU 464 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qoe n ALA 465 N -0.91 -0.45 0.06 0.62 0.00 -0.05 -4.89 120.51 114.89 2qoe n ALA 465 Ca 0.37 0.22 -0.06 0.00 0.00 0.00 0.00 53.44 53.98 2qoe n ALA 465 Cb 1.17 -2.02 0.12 0.00 0.00 0.00 0.00 19.45 18.73 2qoe n ALA 465 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2qoe h LYS 466 N 0.00 0.33 -5.38 0.00 3.64 -1.80 -3.41 116.57 109.95 2qoe h LYS 466 Ca -0.43 -0.20 -0.41 0.00 -1.27 0.00 0.00 60.65 58.34 2qoe h LYS 466 Cb 1.30 0.02 -0.18 0.00 -0.41 0.00 0.00 32.23 32.96 2qoe h LYS 466 CO 0.56 0.79 -0.76 0.71 -2.27 0.00 0.00 179.45 178.48 2qoe s TYR 467 N -3.92 1.37 0.00 1.91 2.02 -1.26 -0.76 117.35 116.71 2qoe s TYR 467 Ca -0.05 -0.56 0.00 0.00 -0.37 0.00 0.00 57.07 56.09 2qoe s TYR 467 Cb 0.12 -0.72 -0.00 0.00 -0.40 0.00 0.00 41.96 40.96 2qoe s TYR 467 CO 0.80 0.13 -0.01 1.52 -1.57 0.00 0.00 175.55 176.42 2qoe s TYR 468 N -2.17 0.09 -0.20 2.71 1.13 -0.11 -0.80 117.35 118.01 2qoe s TYR 468 Ca 0.09 -0.10 -0.16 0.00 -1.41 0.00 0.00 57.07 55.49 2qoe s TYR 468 Cb -0.05 -0.06 -0.04 0.00 -1.10 0.00 0.00 41.96 40.71 2qoe s TYR 468 CO 0.03 -0.03 0.39 -1.14 -2.51 0.00 0.00 175.55 172.29 2qoe s GLN 469 N -0.27 4.18 -0.11 -3.49 0.74 0.19 -0.56 119.66 120.34 2qoe s GLN 469 Ca -0.03 0.20 -0.13 0.00 0.05 0.00 0.00 55.36 55.45 2qoe s GLN 469 Cb -0.02 -3.53 -0.05 0.00 1.10 0.00 0.00 33.01 30.52 2qoe s GLN 469 CO -0.00 -0.01 0.29 -0.51 -0.55 0.00 0.00 175.29 174.51 2qoe s LEU 470 N 1.23 4.34 -0.31 3.68 1.43 0.06 -0.72 118.68 128.39 2qoe s LEU 470 Ca 0.19 0.62 0.03 0.00 -1.03 0.00 0.00 54.13 53.95 2qoe s LEU 470 Cb -0.15 -2.37 0.08 0.00 0.03 0.00 0.00 46.19 43.79 2qoe s LEU 470 CO 0.08 0.22 -0.00 -0.13 0.23 0.00 0.00 176.35 176.75 2qoe s ARG 471 N -0.25 1.79 -0.15 1.70 3.00 0.07 -1.28 118.95 123.83 2qoe s ARG 471 Ca 0.18 -1.67 -0.24 0.00 0.00 0.00 0.00 55.73 54.00 2qoe s ARG 471 Cb -0.14 -3.11 -0.02 0.00 0.00 0.00 0.00 34.95 31.68 2qoe s ARG 471 CO 0.06 -0.80 0.75 0.00 0.00 0.00 0.00 175.30 175.31 2qoe n SER 473 N 4.77 2.26 0.00 0.00 3.41 0.00 -1.32 113.62 122.74 2qoe n SER 473 Ca 0.01 -1.76 0.00 0.00 -0.26 0.00 0.00 58.87 56.87 2qoe n SER 473 Cb 0.50 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 2qoe n SER 473 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qoe n GLY 474 N 0.24 0.75 0.10 5.00 0.00 -1.25 -0.93 105.19 109.10 2qoe n GLY 474 Ca 0.06 -1.09 0.12 0.00 0.00 0.00 0.00 46.02 45.12 2qoe n GLY 474 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qoe n PRO 475 N -0.70 0.21 -0.24 1.61 -0.04 -0.55 0.11 135.00 135.39 2qoe n PRO 475 Ca 0.00 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2qoe n PRO 475 Cb 0.00 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 2qoe n PRO 475 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qoe n GLY 476 N 0.79 -0.35 3.77 0.55 0.00 0.24 -4.46 105.19 105.73 2qoe n GLY 476 Ca 0.04 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 2qoe n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qoe s LEU 477 N 0.00 4.39 0.34 0.99 1.43 -1.26 -4.56 118.68 120.01 2qoe s LEU 477 Ca 0.00 2.75 -0.26 0.00 -1.03 0.00 0.00 54.13 55.59 2qoe s LEU 477 Cb 0.00 -3.67 -0.13 0.00 0.03 0.00 0.00 46.19 42.42 2qoe s LEU 477 CO 0.00 -0.62 0.89 -2.65 0.23 0.00 0.00 176.35 174.20 2qoe n PRO 478 N 0.68 1.12 -3.81 1.29 -0.02 -1.26 -4.81 135.00 128.19 2qoe n PRO 478 Ca 0.00 0.40 -0.18 0.00 -2.02 0.00 0.00 63.50 61.70 2qoe n PRO 478 Cb 0.41 -1.77 -0.17 0.00 -0.02 0.00 0.00 33.50 31.95 2qoe n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2qoe s LEU 479 N 0.62 0.83 -0.14 2.45 2.96 -0.44 -4.22 118.68 120.74 2qoe s LEU 479 Ca 0.61 0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 54.53 2qoe s LEU 479 Cb -0.66 -0.19 -0.01 0.00 0.50 0.00 0.00 46.19 45.83 2qoe s LEU 479 CO 0.59 -0.15 -0.13 -0.31 -1.32 0.00 0.00 176.35 175.02 2qoe s TYR 480 N 1.42 2.80 0.06 5.38 1.51 -0.07 -0.79 117.35 127.67 2qoe s TYR 480 Ca -0.04 -0.82 0.02 0.00 -1.01 0.00 0.00 57.07 55.22 2qoe s TYR 480 Cb -0.13 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 2qoe s TYR 480 CO -0.03 -0.34 -0.08 0.95 -1.11 0.00 0.00 175.55 174.95 2qoe s THR 481 N 0.60 0.62 -0.06 -0.71 -4.23 -0.41 -0.67 115.64 110.79 2qoe s THR 481 Ca -0.08 -1.41 0.03 0.00 -1.18 0.00 0.00 61.69 59.05 2qoe s THR 481 Cb -0.16 -1.03 -0.03 0.00 1.34 0.00 0.00 72.50 72.63 2qoe s THR 481 CO 0.03 -0.56 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.20 2qoe s LEU 482 N -2.13 2.78 0.06 4.79 2.96 -0.39 -0.76 118.68 125.99 2qoe s LEU 482 Ca -0.01 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 2qoe s LEU 482 Cb -0.04 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 2qoe s LEU 482 CO -0.01 0.33 -0.06 -1.00 -1.32 0.00 0.00 176.35 174.28 2qoe s HIS 483 N -0.63 0.68 -0.11 5.38 3.76 0.28 -0.16 115.29 124.48 2qoe s HIS 483 Ca 0.09 -0.71 -0.01 0.00 -0.15 0.00 0.00 55.06 54.28 2qoe s HIS 483 Cb -0.11 -0.41 -0.03 0.00 1.11 0.00 0.00 32.58 33.14 2qoe s HIS 483 CO 0.01 -0.15 -0.06 -1.54 -0.85 0.00 0.00 174.74 172.15 2qoe s SER 484 N -2.22 4.67 0.35 1.40 1.04 -0.73 -0.93 113.70 117.28 2qoe s SER 484 Ca -0.01 -0.09 0.10 0.00 0.48 0.00 0.00 55.95 56.43 2qoe s SER 484 Cb -0.03 -1.49 0.64 0.00 0.10 0.00 0.00 66.02 65.24 2qoe s SER 484 CO -0.03 0.26 1.80 0.28 0.98 0.00 0.00 173.24 176.53 2qoe h SER 485 N 6.02 0.10 -0.42 7.02 0.02 -1.19 -1.54 113.55 123.57 2qoe h SER 485 Ca -0.39 -0.04 0.06 0.00 -0.84 0.00 0.00 61.79 60.58 2qoe h SER 485 Cb 1.19 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.65 2qoe h SER 485 CO 0.57 0.46 0.13 1.62 -1.14 0.00 0.00 176.83 178.47 2qoe h VAL 486 N 0.09 0.84 0.00 2.27 3.04 -1.90 -3.10 116.25 117.48 2qoe h VAL 486 Ca 0.01 -0.10 -0.01 0.00 -1.01 0.00 0.00 66.70 65.59 2qoe h VAL 486 Cb 0.67 0.53 -0.03 0.00 -2.01 0.00 0.00 31.29 30.46 2qoe h VAL 486 CO 0.05 0.05 -0.28 0.59 -1.01 0.00 0.00 177.57 176.97 2qoe n ASN 487 N -5.04 1.55 -4.37 3.17 3.02 -1.25 -5.00 115.26 107.33 2qoe n ASN 487 Ca 0.03 -2.85 -0.36 0.00 -0.03 0.00 0.00 54.58 51.37 2qoe n ASN 487 Cb 0.17 -0.38 -0.07 0.00 -0.61 0.00 0.00 39.78 38.89 2qoe n ASN 487 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2qoe n ASP 488 N -0.88 -0.93 -4.77 6.41 9.92 -0.61 -4.92 116.55 120.78 2qoe n ASP 488 Ca 0.12 -1.21 -0.41 0.00 -0.53 0.00 0.00 54.79 52.76 2qoe n ASP 488 Cb 0.70 -1.88 -0.01 0.00 -0.64 0.00 0.00 41.12 39.28 2qoe n ASP 488 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2qoe s LYS 489 N -7.20 4.26 -0.70 -1.24 3.01 -1.04 -4.83 119.74 112.01 2qoe s LYS 489 Ca 0.46 2.35 -0.22 0.00 -1.01 0.00 0.00 55.97 57.55 2qoe s LYS 489 Cb -0.26 -3.04 0.08 0.00 -1.01 0.00 0.00 37.83 33.59 2qoe s LYS 489 CO 0.99 -0.33 0.98 0.20 0.51 0.00 0.00 175.35 177.70 2qoe s GLY 490 N -0.25 1.47 0.01 -3.33 0.00 -1.26 -1.77 107.32 102.18 2qoe s GLY 490 Ca 0.52 -2.00 -0.25 0.00 0.00 0.00 0.00 44.72 42.99 2qoe s GLY 490 CO 0.55 2.04 1.04 1.41 0.00 0.00 0.00 173.10 178.14 2qoe h LEU 491 N 11.17 -0.77 -7.14 0.66 3.38 -0.90 -3.49 115.31 118.22 2qoe h LEU 491 Ca -0.22 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2qoe h LEU 491 Cb 1.06 0.20 -0.11 0.00 0.09 0.00 0.00 40.66 41.90 2qoe h LEU 491 CO 1.17 -0.38 0.25 0.00 0.09 0.00 0.00 178.44 179.57 2qoe s ARG 492 N -4.50 1.30 -0.21 1.13 1.70 -1.14 -5.01 118.95 112.22 2qoe s ARG 492 Ca -0.13 -0.52 -0.22 0.00 -0.47 0.00 0.00 55.73 54.39 2qoe s ARG 492 Cb 0.01 0.57 -0.02 0.00 -0.57 0.00 0.00 34.95 34.94 2qoe s ARG 492 CO 0.40 -0.57 0.68 0.08 -1.08 0.00 0.00 175.30 174.81 2qoe s VAL 493 N -3.70 4.97 -0.12 4.99 1.01 -1.26 -1.26 120.40 125.03 2qoe s VAL 493 Ca 0.03 1.28 -0.21 0.00 0.00 0.00 0.00 61.98 63.08 2qoe s VAL 493 Cb -0.02 -3.99 -0.26 0.00 0.00 0.00 0.00 36.38 32.12 2qoe s VAL 493 CO -0.10 0.06 0.58 -0.07 0.00 0.00 0.00 175.10 175.57 2qoe h LEU 494 N 8.47 0.24 -7.08 3.92 3.38 -1.24 -3.47 115.31 119.51 2qoe h LEU 494 Ca -0.29 -0.83 -0.03 0.00 0.09 0.00 0.00 57.88 56.82 2qoe h LEU 494 Cb 1.13 -0.08 -0.24 0.00 0.09 0.00 0.00 40.66 41.56 2qoe h LEU 494 CO 0.79 1.43 -0.25 -0.70 0.09 0.00 0.00 178.44 179.81 2qoe s GLU 495 N -2.39 0.45 0.00 1.13 2.56 -1.12 -5.01 118.70 114.31 2qoe s GLU 495 Ca -0.21 1.16 0.10 0.00 0.00 0.00 0.00 54.97 56.02 2qoe s GLU 495 Cb 0.03 0.44 0.10 0.00 2.00 0.00 0.00 34.13 36.70 2qoe s GLU 495 CO 0.72 -0.21 0.86 -0.40 -0.56 0.00 0.00 175.26 175.67 2qoe n ASP 496 N 5.17 1.94 -3.00 -1.70 5.68 -1.26 -0.89 116.55 122.49 2qoe n ASP 496 Ca -0.12 -1.48 -0.22 0.00 -0.50 0.00 0.00 54.79 52.47 2qoe n ASP 496 Cb 0.51 -0.02 0.02 0.00 -1.14 0.00 0.00 41.12 40.48 2qoe n ASP 496 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2qoe n ASN 497 N 0.54 -5.46 0.22 -1.12 3.02 -1.26 -4.84 115.26 106.36 2qoe n ASN 497 Ca 0.06 -0.25 0.08 0.00 -0.03 0.00 0.00 54.58 54.44 2qoe n ASN 497 Cb 0.27 -4.45 0.51 0.00 -0.61 0.00 0.00 39.78 35.50 2qoe n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2qoe h SER 498 N -1.08 0.00 -0.09 6.41 4.64 -1.94 -1.97 113.55 119.53 2qoe h SER 498 Ca -0.49 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 2qoe h SER 498 Cb 1.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.43 2qoe h SER 498 CO 0.55 0.25 0.02 0.00 -0.87 0.00 0.00 176.83 176.79 2qoe h ALA 499 N 1.75 0.11 -0.22 5.18 0.00 -1.99 -2.16 119.26 121.93 2qoe h ALA 499 Ca -0.00 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2qoe h ALA 499 Cb 0.57 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2qoe h ALA 499 CO 0.03 -0.27 0.09 1.25 0.00 0.00 0.00 179.25 180.35 2qoe h LEU 500 N -0.06 0.12 -0.68 0.00 5.85 -1.82 -2.40 115.31 116.32 2qoe h LEU 500 Ca 0.03 0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.91 2qoe h LEU 500 Cb 0.22 -0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.14 2qoe h LEU 500 CO -0.00 0.10 0.05 -0.78 -0.34 0.00 0.00 178.44 177.47 2qoe h ASP 501 N 0.20 -0.21 -0.56 1.25 3.58 -1.30 0.13 116.42 119.51 2qoe h ASP 501 Ca 0.09 0.16 -0.03 0.00 0.42 0.00 0.00 57.03 57.67 2qoe h ASP 501 Cb 0.05 0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 2qoe h ASP 501 CO -0.08 -0.11 0.23 0.50 -2.88 0.00 0.00 179.24 176.89 2qoe h LYS 502 N 0.16 0.83 -0.38 0.28 3.64 -1.18 -2.59 116.57 117.34 2qoe h LYS 502 Ca 0.37 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 2qoe h LYS 502 Cb 0.62 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 2qoe h LYS 502 CO -0.55 0.72 0.18 0.52 -2.27 0.00 0.00 179.45 178.05 2qoe h MET 503 N 0.76 0.54 0.00 1.90 2.86 -0.70 -2.99 114.93 117.31 2qoe h MET 503 Ca 0.19 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2qoe h MET 503 Cb 0.20 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2qoe h MET 503 CO -0.02 0.49 0.00 -0.07 1.06 0.00 0.00 176.91 178.37 2qoe h LEU 504 N 0.47 0.00 -2.19 1.22 3.38 -0.66 -2.71 115.31 114.83 2qoe h LEU 504 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2qoe h LEU 504 Cb 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2qoe h LEU 504 CO -0.02 0.00 -0.04 1.56 0.09 0.00 0.00 178.44 180.03 2qoe h GLN 505 N 0.00 0.00 -0.63 1.13 4.20 -1.30 -2.33 115.11 116.18 2qoe h GLN 505 Ca 0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 2qoe h GLN 505 Cb 0.21 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.92 2qoe h GLN 505 CO 0.00 0.04 0.14 0.09 -0.67 0.00 0.00 178.83 178.44 2qoe n ASN 506 N -3.99 5.00 -4.18 1.46 4.13 -1.02 -4.92 115.26 111.75 2qoe n ASN 506 Ca -0.03 -3.13 -0.24 0.00 1.68 0.00 0.00 54.58 52.86 2qoe n ASN 506 Cb 0.13 -0.71 -0.15 0.00 -1.54 0.00 0.00 39.78 37.52 2qoe n ASN 506 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2qoe s VAL 507 N -2.92 1.40 -1.16 2.41 1.01 -0.88 -3.19 120.40 117.07 2qoe s VAL 507 Ca 0.54 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 61.47 2qoe s VAL 507 Cb 0.42 -1.18 0.09 0.00 0.00 0.00 0.00 36.38 35.71 2qoe s VAL 507 CO 0.13 0.31 1.53 -1.10 0.00 0.00 0.00 175.10 175.97 2qoe s GLN 508 N -0.65 3.85 0.34 2.72 -0.21 0.38 -4.97 119.66 121.11 2qoe s GLN 508 Ca 0.06 -1.82 -0.25 0.00 0.02 0.00 0.00 55.36 53.37 2qoe s GLN 508 Cb -0.07 -5.33 -0.10 0.00 1.00 0.00 0.00 33.01 28.51 2qoe s GLN 508 CO 0.00 -2.10 0.94 -1.64 -2.12 0.00 0.00 175.29 170.37 2qoe s MET 509 N 3.78 4.51 0.82 2.91 -1.94 -1.26 -4.40 119.30 123.72 2qoe s MET 509 Ca 0.47 1.27 -0.11 0.00 -1.71 0.00 0.00 55.69 55.61 2qoe s MET 509 Cb 0.01 -2.70 0.08 0.00 2.01 0.00 0.00 34.83 34.23 2qoe s MET 509 CO -0.01 0.23 1.09 -1.25 -0.01 0.00 0.00 175.02 175.08 2qoe s PRO 510 N -2.24 1.91 0.44 2.03 0.04 -1.26 -4.25 135.00 131.67 2qoe s PRO 510 Ca 0.52 0.72 0.07 0.00 0.04 0.00 0.00 61.00 62.35 2qoe s PRO 510 Cb -0.17 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 2qoe s PRO 510 CO 0.22 -1.76 0.31 -1.54 0.04 0.00 0.00 177.00 174.26 2qoe s SER 511 N -3.76 4.74 -0.11 6.66 1.04 -0.39 -4.91 113.70 116.96 2qoe s SER 511 Ca 0.61 -0.96 0.03 0.00 0.48 0.00 0.00 55.95 56.11 2qoe s SER 511 Cb -0.15 -0.37 0.01 0.00 0.10 0.00 0.00 66.02 65.61 2qoe s SER 511 CO 0.55 -0.69 -0.19 -0.75 0.98 0.00 0.00 173.24 173.14 2qoe s LYS 512 N -4.07 2.58 -0.23 4.02 2.20 -1.26 -0.26 119.74 122.73 2qoe s LYS 512 Ca 0.43 -0.70 -0.10 0.00 -0.36 0.00 0.00 55.97 55.24 2qoe s LYS 512 Cb -0.00 -2.08 -0.05 0.00 -1.51 0.00 0.00 37.83 34.19 2qoe s LYS 512 CO 0.25 0.02 0.13 0.21 -0.36 0.00 0.00 175.35 175.60 2qoe s LYS 513 N 0.73 4.03 -0.18 4.03 2.20 -0.21 -4.96 119.74 125.39 2qoe s LYS 513 Ca -0.11 -0.30 -0.02 0.00 -0.36 0.00 0.00 55.97 55.18 2qoe s LYS 513 Cb -0.16 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.70 2qoe s LYS 513 CO 0.02 0.10 -0.08 -1.17 -0.36 0.00 0.00 175.35 173.86 2qoe s LEU 514 N 0.92 2.85 0.00 5.43 2.96 -1.26 -0.52 118.68 129.06 2qoe s LEU 514 Ca 0.07 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.62 2qoe s LEU 514 Cb -0.13 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.87 2qoe s LEU 514 CO 0.03 0.07 0.09 -0.67 -1.32 0.00 0.00 176.35 174.55 2qoe n ASP 515 N 4.20 -0.27 -4.05 3.68 -0.08 -0.71 -5.03 116.55 114.30 2qoe n ASP 515 Ca -0.18 -1.26 -0.10 0.00 -1.51 0.00 0.00 54.79 51.74 2qoe n ASP 515 Cb 0.52 0.46 -0.11 0.00 2.34 0.00 0.00 41.12 44.33 2qoe n ASP 515 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 2qoe s PHE 516 N -6.25 0.52 0.33 -0.67 -0.71 -1.26 -0.80 117.98 109.14 2qoe s PHE 516 Ca 0.03 -0.63 0.09 0.00 -1.04 0.00 0.00 56.93 55.38 2qoe s PHE 516 Cb -0.00 -0.33 -0.05 0.00 -1.21 0.00 0.00 43.02 41.42 2qoe s PHE 516 CO 0.02 -0.17 0.02 0.96 -1.34 0.00 0.00 175.22 174.71 2qoe s ILE 517 N -1.99 2.71 -0.14 -4.49 -4.36 0.01 -4.94 121.20 107.99 2qoe s ILE 517 Ca -0.08 -1.95 -0.03 0.00 -0.26 0.00 0.00 60.65 58.33 2qoe s ILE 517 Cb -0.06 -2.80 -0.03 0.00 1.25 0.00 0.00 42.46 40.82 2qoe s ILE 517 CO -0.02 -0.21 -0.02 -0.63 0.24 0.00 0.00 174.94 174.30 2qoe s ILE 518 N -2.50 4.07 -0.12 8.37 1.01 -1.26 -1.01 121.20 129.76 2qoe s ILE 518 Ca 0.35 -0.31 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 2qoe s ILE 518 Cb -0.01 -2.77 0.04 0.00 0.01 0.00 0.00 42.46 39.73 2qoe s ILE 518 CO 0.20 0.52 -0.01 -0.76 0.00 0.00 0.00 174.94 174.88 2qoe s LEU 519 N 0.05 1.01 -1.22 2.97 1.43 0.30 -4.88 118.68 118.33 2qoe s LEU 519 Ca 0.01 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 2qoe s LEU 519 Cb -0.13 -0.63 -0.01 0.00 0.03 0.00 0.00 46.19 45.45 2qoe s LEU 519 CO 0.02 -0.20 0.71 0.59 0.23 0.00 0.00 176.35 177.70 2qoe n ASN 520 N 5.04 -3.51 -0.09 2.29 3.02 -1.26 -1.55 115.26 119.20 2qoe n ASN 520 Ca -0.09 -0.95 -0.01 0.00 -0.03 0.00 0.00 54.58 53.50 2qoe n ASN 520 Cb 0.49 -3.59 -0.00 0.00 -0.61 0.00 0.00 39.78 36.06 2qoe n ASN 520 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2qoe n GLU 521 N -4.18 -1.97 -4.65 3.52 1.02 -1.26 -4.96 120.64 108.16 2qoe n GLU 521 Ca -0.18 0.51 -0.33 0.00 -0.02 0.00 0.00 57.16 57.13 2qoe n GLU 521 Cb 0.63 -4.88 -0.13 0.00 -0.02 0.00 0.00 31.44 27.05 2qoe n GLU 521 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2qoe s THR 522 N -1.03 3.47 0.15 2.62 2.01 -0.59 -5.11 115.64 117.16 2qoe s THR 522 Ca 0.00 -0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.17 2qoe s THR 522 Cb 0.00 -2.45 -0.07 0.00 0.01 0.00 0.00 72.50 69.99 2qoe s THR 522 CO 0.00 0.55 0.97 -1.59 -0.69 0.00 0.00 174.62 173.85 2qoe s LYS 523 N -0.13 4.73 -0.05 4.92 -2.85 -1.26 -0.54 119.74 124.56 2qoe s LYS 523 Ca 0.01 1.48 0.03 0.00 -1.00 0.00 0.00 55.97 56.49 2qoe s LYS 523 Cb -0.13 -3.35 0.00 0.00 -2.06 0.00 0.00 37.83 32.29 2qoe s LYS 523 CO 0.03 0.28 -0.15 -0.06 0.10 0.00 0.00 175.35 175.55 2qoe s PHE 524 N -0.30 1.58 0.18 1.78 0.40 -0.18 -4.97 117.98 116.47 2qoe s PHE 524 Ca 0.46 -0.49 -0.12 0.00 -0.60 0.00 0.00 56.93 56.18 2qoe s PHE 524 Cb -0.24 -1.09 -0.07 0.00 0.51 0.00 0.00 43.02 42.13 2qoe s PHE 524 CO 0.31 -0.20 0.53 -1.58 0.70 0.00 0.00 175.22 174.98 2qoe s TRP 525 N 0.24 3.53 0.10 0.36 0.52 -1.25 -0.81 118.94 121.63 2qoe s TRP 525 Ca -0.07 0.95 0.03 0.00 0.02 0.00 0.00 56.10 57.03 2qoe s TRP 525 Cb -0.13 -2.30 -0.04 0.00 -1.15 0.00 0.00 33.47 29.85 2qoe s TRP 525 CO 0.03 0.37 -0.08 1.52 0.02 0.00 0.00 176.95 178.80 2qoe s TYR 526 N -1.61 1.00 0.12 -1.98 -0.85 0.02 -0.84 117.35 113.21 2qoe s TYR 526 Ca 0.41 -0.78 0.09 0.00 -0.52 0.00 0.00 57.07 56.28 2qoe s TYR 526 Cb -0.13 -0.55 -0.04 0.00 0.38 0.00 0.00 41.96 41.62 2qoe s TYR 526 CO 0.20 -0.06 -0.22 1.14 -1.52 0.00 0.00 175.55 175.09 2qoe s GLN 527 N -3.36 1.24 -0.10 -3.49 -2.07 0.03 -1.75 119.66 110.16 2qoe s GLN 527 Ca 0.09 -1.26 0.02 0.00 -1.82 0.00 0.00 55.36 52.39 2qoe s GLN 527 Cb 0.01 -1.55 0.02 0.00 -1.09 0.00 0.00 33.01 30.40 2qoe s GLN 527 CO -0.02 0.35 -0.14 -1.64 -1.32 0.00 0.00 175.29 172.53 2qoe s MET 528 N -2.10 2.01 -0.38 9.60 -1.94 0.32 -0.86 119.30 125.95 2qoe s MET 528 Ca 0.10 -0.49 -0.24 0.00 -1.71 0.00 0.00 55.69 53.35 2qoe s MET 528 Cb -0.09 -1.73 0.01 0.00 2.01 0.00 0.00 34.83 35.03 2qoe s MET 528 CO 0.05 -0.06 0.85 0.42 -0.01 0.00 0.00 175.02 176.27 2qoe s ILE 529 N 0.99 4.65 -0.13 2.53 -1.09 0.87 -1.04 121.20 127.98 2qoe s ILE 529 Ca -0.07 0.94 -0.05 0.00 -2.23 0.00 0.00 60.65 59.23 2qoe s ILE 529 Cb -0.15 -4.28 -0.04 0.00 -1.58 0.00 0.00 42.46 36.41 2qoe s ILE 529 CO -0.01 -0.53 0.06 -0.76 -1.23 0.00 0.00 174.94 172.46 2qoe s LEU 530 N 3.31 3.85 0.64 2.97 1.43 0.64 -2.00 118.68 129.52 2qoe s LEU 530 Ca 0.34 0.19 -0.17 0.00 -1.03 0.00 0.00 54.13 53.45 2qoe s LEU 530 Cb -0.12 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 2qoe s LEU 530 CO 0.19 0.30 0.74 -2.65 0.23 0.00 0.00 176.35 175.16 2qoe n PRO 531 N 2.70 0.59 -1.66 1.29 -0.02 -1.26 -1.27 135.00 135.37 2qoe n PRO 531 Ca -0.18 0.24 -0.40 0.00 -2.02 0.00 0.00 63.50 61.14 2qoe n PRO 531 Cb 0.53 -1.97 0.02 0.00 -0.02 0.00 0.00 33.50 32.07 2qoe n PRO 531 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2qoe n PRO 532 N -0.83 1.49 -3.69 0.52 -0.04 -1.26 -2.91 135.00 128.28 2qoe n PRO 532 Ca 0.12 0.54 -0.23 0.00 -0.04 0.00 0.00 63.50 63.90 2qoe n PRO 532 Cb 0.48 -2.25 0.04 0.00 -0.04 0.00 0.00 33.50 31.74 2qoe n PRO 532 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2qoe n HIS 533 N -0.72 -2.11 -1.69 0.54 8.25 -1.26 -4.89 115.22 113.34 2qoe n HIS 533 Ca 0.09 0.88 -0.43 0.00 -0.26 0.00 0.00 57.72 58.01 2qoe n HIS 533 Cb 0.42 -4.47 -0.03 0.00 1.12 0.00 0.00 29.99 27.02 2qoe n HIS 533 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2qoe n PHE 534 N -4.39 2.60 -3.98 4.41 7.35 -1.14 -4.97 117.46 117.33 2qoe n PHE 534 Ca -0.21 -0.03 -0.32 0.00 -0.76 0.00 0.00 57.45 56.13 2qoe n PHE 534 Cb 0.64 -2.69 -0.14 0.00 0.35 0.00 0.00 39.48 37.64 2qoe n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2qoe s ASP 535 N 2.10 4.80 0.00 -2.13 3.68 -1.26 -4.98 116.67 118.87 2qoe s ASP 535 Ca 0.80 -1.93 0.10 0.00 2.13 0.00 0.00 52.55 53.66 2qoe s ASP 535 Cb -0.53 -1.65 0.58 0.00 -1.45 0.00 0.00 42.92 39.87 2qoe s ASP 535 CO 0.37 -0.36 1.11 2.29 0.13 0.00 0.00 175.17 178.71 2qoe n LYS 536 N 4.37 0.26 -0.01 4.34 2.85 -1.26 -0.51 118.16 128.20 2qoe n LYS 536 Ca -0.02 0.07 0.11 0.00 -1.05 0.00 0.00 58.31 57.42 2qoe n LYS 536 Cb 0.42 -1.50 0.10 0.00 -0.65 0.00 0.00 35.03 33.40 2qoe n LYS 536 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2qoe n SER 537 N -1.10 2.90 -4.86 -5.58 3.41 -1.26 -4.11 113.62 103.01 2qoe n SER 537 Ca 0.07 -1.94 -0.29 0.00 -0.26 0.00 0.00 58.87 56.45 2qoe n SER 537 Cb 0.05 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 63.94 2qoe n SER 537 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2qoe s LYS 538 N -1.85 3.18 -0.27 4.33 -0.14 0.34 -5.01 119.74 120.31 2qoe s LYS 538 Ca 0.27 -0.63 -0.14 0.00 -1.36 0.00 0.00 55.97 54.11 2qoe s LYS 538 Cb 0.19 -2.86 -0.04 0.00 -1.68 0.00 0.00 37.83 33.44 2qoe s LYS 538 CO 0.28 0.55 0.33 0.15 -0.76 0.00 0.00 175.35 175.90 2qoe s LYS 539 N -2.77 4.00 0.01 1.68 -0.14 -1.26 -4.25 119.74 117.01 2qoe s LYS 539 Ca 0.33 -0.05 0.01 0.00 -1.36 0.00 0.00 55.97 54.89 2qoe s LYS 539 Cb -0.12 -3.66 -0.04 0.00 -1.68 0.00 0.00 37.83 32.34 2qoe s LYS 539 CO 0.26 -0.25 0.06 0.71 -0.76 0.00 0.00 175.35 175.36 2qoe s TYR 540 N 1.99 3.21 0.72 3.18 2.02 0.11 -4.69 117.35 123.89 2qoe s TYR 540 Ca 0.13 0.15 -0.13 0.00 -0.37 0.00 0.00 57.07 56.85 2qoe s TYR 540 Cb -0.16 -1.70 0.03 0.00 -0.40 0.00 0.00 41.96 39.74 2qoe s TYR 540 CO 0.10 0.52 1.12 -1.25 -1.57 0.00 0.00 175.55 174.47 2qoe s PRO 541 N -1.81 2.41 -0.05 -1.71 0.04 -1.26 -0.69 135.00 131.92 2qoe s PRO 541 Ca 0.23 1.37 0.03 0.00 0.04 0.00 0.00 61.00 62.67 2qoe s PRO 541 Cb -0.12 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.53 2qoe s PRO 541 CO 0.14 -1.55 -0.13 -1.17 0.04 0.00 0.00 177.00 174.34 2qoe s LEU 542 N -5.37 1.72 -0.22 -3.56 0.20 -0.02 -1.84 118.68 109.59 2qoe s LEU 542 Ca 0.66 -0.29 -0.05 0.00 0.69 0.00 0.00 54.13 55.14 2qoe s LEU 542 Cb -0.21 -0.81 -0.02 0.00 -0.43 0.00 0.00 46.19 44.73 2qoe s LEU 542 CO 0.48 0.06 0.00 -0.22 -0.29 0.00 0.00 176.35 176.38 2qoe s LEU 543 N 0.45 3.14 -0.48 -0.68 2.96 0.75 -0.32 118.68 124.50 2qoe s LEU 543 Ca -0.10 -0.29 -0.24 0.00 -0.22 0.00 0.00 54.13 53.28 2qoe s LEU 543 Cb -0.14 -1.81 0.03 0.00 0.50 0.00 0.00 46.19 44.77 2qoe s LEU 543 CO 0.03 -0.01 0.84 -0.22 -1.32 0.00 0.00 176.35 175.67 2qoe s LEU 544 N 1.41 4.21 -0.30 -0.68 2.96 0.13 -0.68 118.68 125.73 2qoe s LEU 544 Ca 0.05 -0.17 -0.24 0.00 -0.22 0.00 0.00 54.13 53.55 2qoe s LEU 544 Cb -0.15 -2.95 0.00 0.00 0.50 0.00 0.00 46.19 43.60 2qoe s LEU 544 CO 0.00 -1.01 0.82 -0.62 -1.32 0.00 0.00 176.35 174.22 2qoe s ASP 545 N 2.35 6.71 -0.03 3.68 2.15 1.00 -0.92 116.67 131.61 2qoe s ASP 545 Ca 0.31 0.75 0.06 0.00 0.43 0.00 0.00 52.55 54.10 2qoe s ASP 545 Cb -0.12 -2.42 -0.01 0.00 -0.30 0.00 0.00 42.92 40.06 2qoe s ASP 545 CO 0.22 -0.63 -0.22 0.54 -0.17 0.00 0.00 175.17 174.91 2qoe s VAL 546 N 3.01 1.78 0.00 1.11 0.11 0.54 -4.36 120.40 122.60 2qoe s VAL 546 Ca 0.34 -0.95 0.00 0.00 -2.93 0.00 0.00 61.98 58.44 2qoe s VAL 546 Cb -0.14 -1.49 0.00 0.00 -1.53 0.00 0.00 36.38 33.22 2qoe s VAL 546 CO 0.12 0.50 0.00 0.00 -3.33 0.00 0.00 175.10 172.39 2qoe n TYR 547 N 2.68 0.00 -1.08 1.54 9.36 -1.26 -4.16 117.16 124.24 2qoe n TYR 547 Ca -0.16 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.03 2qoe n TYR 547 Cb 0.52 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.22 2qoe n TYR 547 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2qoe n ALA 548 N -1.77 -0.04 -0.77 2.98 0.00 -1.26 -2.61 120.51 117.04 2qoe n ALA 548 Ca 0.00 0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.19 2qoe n ALA 548 Cb 0.00 -0.68 0.19 0.00 0.00 0.00 0.00 19.45 18.96 2qoe n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2qoe s GLY 549 N -2.40 1.62 0.23 0.00 0.00 -1.26 -4.83 107.32 100.68 2qoe s GLY 549 Ca 0.00 0.19 -0.31 0.00 0.00 0.00 0.00 44.72 44.61 2qoe s GLY 549 CO 0.00 0.73 1.57 -4.14 0.00 0.00 0.00 173.10 171.26 2qoe s PRO 550 N -4.65 4.19 -1.10 2.90 0.02 -1.26 -1.96 135.00 133.14 2qoe s PRO 550 Ca 0.66 2.45 0.00 0.00 0.02 0.00 0.00 61.00 64.13 2qoe s PRO 550 Cb -0.22 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.20 2qoe s PRO 550 CO 0.60 -0.59 0.00 0.00 -0.33 0.00 0.00 177.00 176.68 2qoe s SER 552 N -2.75 5.98 -0.13 0.00 1.04 -0.83 -4.06 113.70 112.95 2qoe s SER 552 Ca 0.00 0.53 -0.04 0.00 0.48 0.00 0.00 55.95 56.91 2qoe s SER 552 Cb 0.00 -1.81 0.07 0.00 0.10 0.00 0.00 66.02 64.37 2qoe s SER 552 CO 0.00 -0.65 0.25 -1.58 0.98 0.00 0.00 173.24 172.24 2qoe s GLN 553 N -4.62 0.14 0.00 4.02 0.74 -1.26 -1.21 119.66 117.47 2qoe s GLN 553 Ca 0.47 0.68 0.03 0.00 0.05 0.00 0.00 55.36 56.60 2qoe s GLN 553 Cb -0.10 -0.17 -0.01 0.00 1.10 0.00 0.00 33.01 33.83 2qoe s GLN 553 CO 0.40 -0.33 0.32 1.63 -0.55 0.00 0.00 175.29 176.76 2qoe n LYS 554 N 5.35 3.51 -3.84 1.67 4.76 -1.26 -4.88 118.16 123.47 2qoe n LYS 554 Ca -0.06 -0.27 -0.36 0.00 -2.87 0.00 0.00 58.31 54.75 2qoe n LYS 554 Cb 0.50 -0.81 -0.13 0.00 -1.84 0.00 0.00 35.03 32.74 2qoe n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qoe s ALA 555 N -0.93 2.92 0.28 7.82 0.00 -1.26 -4.75 121.76 125.83 2qoe s ALA 555 Ca 0.02 -1.73 -0.05 0.00 0.00 0.00 0.00 51.96 50.20 2qoe s ALA 555 Cb 0.03 -2.08 0.02 0.00 0.00 0.00 0.00 23.12 21.09 2qoe s ALA 555 CO 0.10 -1.27 0.46 -0.40 0.00 0.00 0.00 175.76 174.66 2qoe n ASP 556 N 4.71 -1.32 -1.71 0.00 5.68 -1.26 -4.45 116.55 118.21 2qoe n ASP 556 Ca -0.13 -2.38 0.08 0.00 -0.50 0.00 0.00 54.79 51.86 2qoe n ASP 556 Cb 0.44 2.33 0.38 0.00 -1.14 0.00 0.00 41.12 43.13 2qoe n ASP 556 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2qoe n THR 557 N -0.43 2.36 -2.65 2.12 -2.24 -0.87 -4.94 114.28 107.63 2qoe n THR 557 Ca -0.02 -1.35 -0.41 0.00 -2.27 0.00 0.00 64.05 60.00 2qoe n THR 557 Cb 0.45 -0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.54 2qoe n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2qoe s VAL 558 N -2.39 4.23 -0.05 2.28 1.01 -1.26 -1.48 120.40 122.74 2qoe s VAL 558 Ca 0.52 1.90 -0.29 0.00 0.00 0.00 0.00 61.98 64.11 2qoe s VAL 558 Cb 0.38 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 2qoe s VAL 558 CO 0.19 0.31 0.97 0.12 0.00 0.00 0.00 175.10 176.69 2qoe s PHE 559 N -0.17 3.59 0.01 5.22 5.36 -0.10 -4.91 117.98 126.97 2qoe s PHE 559 Ca 0.47 1.61 0.01 0.00 -0.96 0.00 0.00 56.93 58.07 2qoe s PHE 559 Cb -0.26 -3.13 -0.01 0.00 -0.34 0.00 0.00 43.02 39.29 2qoe s PHE 559 CO 0.32 -0.10 -0.04 1.03 -1.46 0.00 0.00 175.22 174.97 2qoe s ARG 560 N 1.44 0.31 -0.32 10.12 0.52 -1.26 -4.91 118.95 124.85 2qoe s ARG 560 Ca 0.49 -0.27 -0.00 0.00 -0.52 0.00 0.00 55.73 55.43 2qoe s ARG 560 Cb -0.20 -0.23 0.07 0.00 0.52 0.00 0.00 34.95 35.12 2qoe s ARG 560 CO 0.23 0.06 0.03 -0.51 0.02 0.00 0.00 175.30 175.12 2qoe s LEU 561 N -0.45 4.23 0.00 2.53 1.43 -1.26 -4.87 118.68 120.30 2qoe s LEU 561 Ca -0.02 -1.60 0.00 0.00 -1.03 0.00 0.00 54.13 51.48 2qoe s LEU 561 Cb -0.04 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.49 2qoe s LEU 561 CO -0.00 -0.32 0.00 -0.46 0.23 0.00 0.00 176.35 175.79 2qoe n ASN 562 N 4.52 0.00 -0.29 2.29 0.23 -1.26 -5.01 115.26 115.74 2qoe n ASN 562 Ca -0.08 -0.59 -0.02 0.00 -0.53 0.00 0.00 54.58 53.36 2qoe n ASN 562 Cb 0.42 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.29 2qoe n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2qoe h TRP 563 N 0.59 1.11 -0.58 -2.53 7.01 -1.97 -2.11 115.95 117.46 2qoe h TRP 563 Ca 0.00 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 2qoe h TRP 563 Cb 0.00 -0.37 -0.03 0.00 -2.10 0.00 0.00 29.16 26.67 2qoe h TRP 563 CO 0.00 0.73 0.35 0.00 -2.79 0.00 0.00 178.44 176.73 2qoe h ALA 564 N 1.41 1.52 -0.15 2.65 0.00 -1.98 -1.15 119.26 121.55 2qoe h ALA 564 Ca 0.31 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2qoe h ALA 564 Cb -0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2qoe h ALA 564 CO -0.06 0.42 0.03 1.15 0.00 0.00 0.00 179.25 180.79 2qoe h THR 565 N 0.80 0.93 -0.21 0.00 2.02 -1.71 -0.39 112.91 114.34 2qoe h THR 565 Ca 0.21 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.36 2qoe h THR 565 Cb -0.03 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2qoe h THR 565 CO -0.04 0.02 0.14 0.22 0.37 0.00 0.00 175.52 176.23 2qoe h TYR 566 N 0.09 0.27 -0.69 3.16 3.20 -1.42 0.19 116.97 121.77 2qoe h TYR 566 Ca 0.07 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.98 2qoe h TYR 566 Cb 0.06 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.20 2qoe h TYR 566 CO -0.13 0.17 0.43 -0.07 -1.64 0.00 0.00 178.16 176.92 2qoe h LEU 567 N 0.29 0.70 -0.05 2.82 3.38 -0.88 0.14 115.31 121.71 2qoe h LEU 567 Ca 0.08 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2qoe h LEU 567 Cb -0.03 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2qoe h LEU 567 CO -0.02 0.48 -0.18 0.00 0.09 0.00 0.00 178.44 178.81 2qoe h ALA 568 N 1.30 0.08 -0.19 1.53 0.00 -1.00 -2.07 119.26 118.91 2qoe h ALA 568 Ca 0.28 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 2qoe h ALA 568 Cb 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2qoe h ALA 568 CO -0.11 0.03 -0.20 1.03 0.00 0.00 0.00 179.25 180.00 2qoe h SER 569 N -0.35 0.50 0.06 0.00 0.87 -0.37 -2.85 113.55 111.41 2qoe h SER 569 Ca -0.01 -0.48 -0.38 0.00 -1.23 0.00 0.00 61.79 59.69 2qoe h SER 569 Cb 0.82 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.59 2qoe h SER 569 CO 0.04 0.88 -2.30 0.41 -0.53 0.00 0.00 176.83 175.33 2qoe n THR 570 N -4.46 1.58 1.02 2.23 -1.04 0.45 -4.54 114.28 109.52 2qoe n THR 570 Ca -0.05 -0.63 0.11 0.00 -2.04 0.00 0.00 64.05 61.44 2qoe n THR 570 Cb 0.40 -1.42 -0.00 0.00 -1.82 0.00 0.00 70.33 67.49 2qoe n THR 570 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2qoe n GLU 571 N -3.28 0.80 -3.52 -2.82 -0.58 -0.90 -4.98 120.64 105.36 2qoe n GLU 571 Ca -0.40 -0.65 -0.23 0.00 -0.42 0.00 0.00 57.16 55.47 2qoe n GLU 571 Cb 1.02 -1.49 0.07 0.00 -0.57 0.00 0.00 31.44 30.48 2qoe n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2qoe n ASN 572 N -0.54 -6.28 -4.67 1.62 4.13 -0.83 -4.96 115.26 103.73 2qoe n ASN 572 Ca 0.08 -0.51 -0.35 0.00 1.68 0.00 0.00 54.58 55.49 2qoe n ASN 572 Cb 0.42 -4.93 -0.09 0.00 -1.54 0.00 0.00 39.78 33.64 2qoe n ASN 572 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2qoe s ILE 573 N -3.30 4.96 -0.00 2.41 1.01 -0.89 -4.45 121.20 120.94 2qoe s ILE 573 Ca 0.55 0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.93 2qoe s ILE 573 Cb -0.24 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 2qoe s ILE 573 CO 0.68 0.46 1.17 -0.63 0.00 0.00 0.00 174.94 176.62 2qoe s ILE 574 N 0.29 4.27 -0.32 2.92 1.01 -0.77 -3.39 121.20 125.21 2qoe s ILE 574 Ca 0.05 1.61 -0.06 0.00 0.00 0.00 0.00 60.65 62.25 2qoe s ILE 574 Cb -0.12 -4.03 0.03 0.00 0.01 0.00 0.00 42.46 38.35 2qoe s ILE 574 CO -0.00 0.06 0.08 -0.69 0.00 0.00 0.00 174.94 174.39 2qoe s VAL 575 N 1.61 3.75 0.11 2.92 1.01 -0.85 -0.18 120.40 128.77 2qoe s VAL 575 Ca 0.56 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 61.58 2qoe s VAL 575 Cb -0.26 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 2qoe s VAL 575 CO 0.25 -0.08 0.05 0.00 0.00 0.00 0.00 175.10 175.33 2qoe s ALA 576 N 1.42 3.42 0.02 5.51 0.00 0.14 -0.09 121.76 132.18 2qoe s ALA 576 Ca -0.01 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 50.82 2qoe s ALA 576 Cb -0.19 -1.27 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 2qoe s ALA 576 CO 0.02 0.64 -0.04 -1.12 0.00 0.00 0.00 175.76 175.26 2qoe s SER 577 N -2.59 0.40 -0.01 0.00 0.01 -0.04 -0.00 113.70 111.46 2qoe s SER 577 Ca 0.28 -0.42 0.01 0.00 1.31 0.00 0.00 55.95 57.13 2qoe s SER 577 Cb -0.11 0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.18 2qoe s SER 577 CO 0.20 -0.21 -0.02 0.12 0.41 0.00 0.00 173.24 173.75 2qoe s PHE 578 N -1.15 0.27 -0.45 2.43 5.36 -1.26 -0.79 117.98 122.39 2qoe s PHE 578 Ca -0.11 -0.03 -0.08 0.00 -0.96 0.00 0.00 56.93 55.75 2qoe s PHE 578 Cb -0.08 -0.23 0.11 0.00 -0.34 0.00 0.00 43.02 42.48 2qoe s PHE 578 CO -0.00 -0.04 0.30 -0.51 -1.46 0.00 0.00 175.22 173.51 2qoe s ASP 579 N 0.25 5.59 0.00 6.13 1.01 -0.02 -4.82 116.67 124.81 2qoe s ASP 579 Ca -0.02 -1.90 0.00 0.00 0.71 0.00 0.00 52.55 51.34 2qoe s ASP 579 Cb -0.05 -1.96 0.00 0.00 1.01 0.00 0.00 42.92 41.92 2qoe s ASP 579 CO -0.01 -0.64 0.00 0.61 0.21 0.00 0.00 175.17 175.34 2qoe n GLY 580 N 4.83 2.09 3.77 0.21 0.00 -1.26 -3.90 105.19 110.93 2qoe n GLY 580 Ca -0.07 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 2qoe n GLY 580 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qoe s ARG 581 N 3.52 3.78 0.00 1.61 0.52 -1.26 -1.94 118.95 125.18 2qoe s ARG 581 Ca 0.00 2.31 0.00 0.00 -0.52 0.00 0.00 55.73 57.52 2qoe s ARG 581 Cb 0.00 -2.68 0.00 0.00 0.52 0.00 0.00 34.95 32.79 2qoe s ARG 581 CO 0.00 -0.70 0.00 0.41 0.02 0.00 0.00 175.30 175.03 2qoe n GLY 582 N 0.61 2.18 3.80 -3.53 0.00 0.95 -4.10 105.19 105.09 2qoe n GLY 582 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2qoe n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qoe s SER 583 N -2.22 4.80 0.51 1.61 1.04 -0.82 -0.18 113.70 118.43 2qoe s SER 583 Ca 0.00 1.53 0.05 0.00 0.48 0.00 0.00 55.95 58.01 2qoe s SER 583 Cb 0.00 -2.31 0.04 0.00 0.10 0.00 0.00 66.02 63.84 2qoe s SER 583 CO 0.00 -1.80 0.71 -0.83 0.98 0.00 0.00 173.24 172.29 2qoe s GLY 584 N -3.75 1.86 -0.42 7.32 0.00 -0.35 -3.64 107.32 108.34 2qoe s GLY 584 Ca 0.60 -1.60 0.00 0.00 0.00 0.00 0.00 44.72 43.71 2qoe s GLY 584 CO 0.55 -1.32 0.00 -1.72 0.00 0.00 0.00 173.10 170.61 2qoe n TYR 585 N -2.16 0.00 -1.30 1.90 4.01 -1.26 -4.84 117.16 113.52 2qoe n TYR 585 Ca 0.09 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.88 2qoe n TYR 585 Cb 0.60 -1.15 0.06 0.00 -0.31 0.00 0.00 39.34 38.54 2qoe n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2qoe n GLN 586 N -2.26 0.87 0.00 -0.72 6.02 -1.26 -4.37 117.38 115.67 2qoe n GLN 586 Ca -0.04 -1.70 0.00 0.00 -0.01 0.00 0.00 57.00 55.25 2qoe n GLN 586 Cb 0.21 -0.99 0.00 0.00 1.02 0.00 0.00 30.24 30.48 2qoe n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qoe n GLY 587 N -0.68 -0.06 0.17 1.08 0.00 -1.26 -4.59 105.19 99.85 2qoe n GLY 587 Ca 0.07 -1.72 0.03 0.00 0.00 0.00 0.00 46.02 44.41 2qoe n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qoe h ASP 588 N 0.00 0.00 -0.77 1.61 3.32 -0.65 -1.84 116.42 118.10 2qoe h ASP 588 Ca 0.00 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.15 2qoe h ASP 588 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 2qoe h ASP 588 CO 0.00 0.46 0.40 0.50 -1.72 0.00 0.00 179.24 178.89 2qoe h LYS 589 N 0.00 0.65 0.00 3.56 3.64 -1.85 0.28 116.57 122.85 2qoe h LYS 589 Ca -0.00 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2qoe h LYS 589 Cb 0.99 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 2qoe h LYS 589 CO 0.06 0.43 -0.00 0.82 -2.27 0.00 0.00 179.45 178.49 2qoe h ILE 590 N 0.67 1.72 -0.52 2.00 2.04 -1.79 -3.28 117.51 118.35 2qoe h ILE 590 Ca 0.38 -2.10 -0.07 0.00 1.00 0.00 0.00 64.86 64.07 2qoe h ILE 590 Cb 0.40 3.15 -0.02 0.00 -0.74 0.00 0.00 36.82 39.61 2qoe h ILE 590 CO -0.27 0.55 0.06 -0.03 0.00 0.00 0.00 178.15 178.45 2qoe h MET 591 N -0.89 0.88 -0.03 2.37 4.05 -1.16 0.27 114.93 120.42 2qoe h MET 591 Ca -0.00 -0.25 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 2qoe h MET 591 Cb 0.90 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.60 2qoe h MET 591 CO 0.00 0.88 0.00 0.72 0.23 0.00 0.00 176.91 178.74 2qoe n HIS 592 N -4.36 0.03 0.02 1.39 8.25 0.99 -4.08 115.22 117.46 2qoe n HIS 592 Ca 0.02 -0.01 0.16 0.00 -0.26 0.00 0.00 57.72 57.63 2qoe n HIS 592 Cb 0.28 0.00 0.64 0.00 1.12 0.00 0.00 29.99 32.03 2qoe n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qoe h ALA 593 N 4.13 2.31 -0.58 -1.41 0.00 -1.58 -0.71 119.26 121.41 2qoe h ALA 593 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qoe h ALA 593 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2qoe h ALA 593 CO 0.00 -0.43 0.00 0.44 0.00 0.00 0.00 179.25 179.26 2qoe n ILE 594 N -4.43 0.84 -1.67 0.00 -6.64 -1.26 -4.93 119.36 101.27 2qoe n ILE 594 Ca 0.08 -0.80 -0.47 0.00 -1.77 0.00 0.00 62.75 59.79 2qoe n ILE 594 Cb 0.48 0.36 -0.04 0.00 -1.44 0.00 0.00 39.64 38.99 2qoe n ILE 594 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 2qoe n ASN 595 N 1.18 3.23 -0.23 7.28 4.05 -0.28 -1.04 115.26 129.47 2qoe n ASN 595 Ca 0.20 1.03 -0.03 0.00 0.45 0.00 0.00 54.58 56.23 2qoe n ASN 595 Cb 0.51 -1.39 -0.01 0.00 1.23 0.00 0.00 39.78 40.12 2qoe n ASN 595 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2qoe n ARG 596 N 4.99 -1.13 -2.76 1.20 1.74 0.28 -4.85 116.66 116.12 2qoe n ARG 596 Ca 0.20 0.45 -0.02 0.00 -0.77 0.00 0.00 57.85 57.71 2qoe n ARG 596 Cb 0.29 -4.39 0.07 0.00 -1.02 0.00 0.00 32.46 27.41 2qoe n ARG 596 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2qoe n ARG 597 N -1.07 1.53 -1.65 5.56 0.63 -0.20 -4.90 116.66 116.55 2qoe n ARG 597 Ca -0.03 -2.80 -0.35 0.00 -0.92 0.00 0.00 57.85 53.76 2qoe n ARG 597 Cb 0.33 -0.95 0.07 0.00 0.45 0.00 0.00 32.46 32.35 2qoe n ARG 597 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2qoe s LEU 598 N -3.76 3.43 -0.79 6.15 1.43 -1.22 -3.19 118.68 120.74 2qoe s LEU 598 Ca 0.22 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 55.64 2qoe s LEU 598 Cb 0.38 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 42.01 2qoe s LEU 598 CO -0.05 -1.98 0.00 0.61 0.23 0.00 0.00 176.35 175.16 2qoe n GLY 599 N 0.29 0.61 0.00 -3.19 0.00 -1.26 -4.86 105.19 96.78 2qoe n GLY 599 Ca 0.13 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2qoe n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qoe n THR 600 N -3.27 0.00 -0.16 2.61 -2.24 -1.19 -4.82 114.28 105.21 2qoe n THR 600 Ca -0.09 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.69 2qoe n THR 600 Cb 0.39 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 68.86 2qoe n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2qoe h PHE 601 N 0.00 0.86 0.00 4.78 0.04 -1.92 -1.26 116.94 119.44 2qoe h PHE 601 Ca 0.00 -0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.66 2qoe h PHE 601 Cb 0.00 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 37.86 2qoe h PHE 601 CO 0.00 0.62 -0.43 1.05 -0.60 0.00 0.00 178.31 178.95 2qoe h GLU 602 N 0.88 0.00 0.04 1.51 9.09 -1.90 0.48 114.58 124.68 2qoe h GLU 602 Ca 0.22 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.63 2qoe h GLU 602 Cb 0.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.17 2qoe h GLU 602 CO -0.03 0.43 -0.02 0.28 0.05 0.00 0.00 179.01 179.72 2qoe h VAL 603 N 0.00 1.35 -0.83 -1.06 2.07 -1.70 -3.12 116.25 112.96 2qoe h VAL 603 Ca -0.00 -1.58 0.17 0.00 0.82 0.00 0.00 66.70 66.11 2qoe h VAL 603 Cb 0.78 2.35 -0.10 0.00 -1.52 0.00 0.00 31.29 32.79 2qoe h VAL 603 CO 0.06 0.38 0.37 -0.33 0.02 0.00 0.00 177.57 178.07 2qoe h GLU 604 N -0.79 0.47 -0.14 1.57 5.08 -1.17 -2.50 114.58 117.10 2qoe h GLU 604 Ca -0.01 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 2qoe h GLU 604 Cb 0.67 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2qoe h GLU 604 CO 0.01 0.31 -0.41 -0.44 -1.00 0.00 0.00 179.01 177.48 2qoe h ASP 605 N 0.48 0.32 -0.57 1.42 3.32 -0.98 -0.66 116.42 119.75 2qoe h ASP 605 Ca 0.48 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.36 2qoe h ASP 605 Cb 0.78 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 2qoe h ASP 605 CO -0.44 0.70 0.23 1.56 -1.72 0.00 0.00 179.24 179.58 2qoe h GLN 606 N 0.26 0.84 -0.49 3.56 1.08 -1.40 -0.26 115.11 118.69 2qoe h GLN 606 Ca 0.02 -0.15 -0.04 0.00 -1.45 0.00 0.00 58.65 57.04 2qoe h GLN 606 Cb 0.84 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 2qoe h GLN 606 CO 0.07 0.72 0.16 0.82 -0.95 0.00 0.00 178.83 179.65 2qoe h ILE 607 N 0.77 1.23 -0.54 2.54 2.04 -1.19 -1.74 117.51 120.62 2qoe h ILE 607 Ca 0.19 -0.75 -0.06 0.00 1.00 0.00 0.00 64.86 65.23 2qoe h ILE 607 Cb 0.19 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2qoe h ILE 607 CO -0.02 0.28 0.09 -0.08 0.00 0.00 0.00 178.15 178.42 2qoe h GLU 608 N 0.67 0.89 -0.29 2.37 4.57 -1.02 0.10 114.58 121.87 2qoe h GLU 608 Ca 0.16 -0.24 0.01 0.00 -1.18 0.00 0.00 59.36 58.12 2qoe h GLU 608 Cb 0.27 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 2qoe h GLU 608 CO -0.01 0.87 0.16 0.00 -1.18 0.00 0.00 179.01 178.85 2qoe h ALA 609 N 0.99 0.36 -0.37 2.92 0.00 -0.95 -0.49 119.26 121.73 2qoe h ALA 609 Ca 0.16 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2qoe h ALA 609 Cb 0.40 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2qoe h ALA 609 CO 0.01 -0.21 0.16 0.00 0.00 0.00 0.00 179.25 179.21 2qoe h ALA 610 N 1.14 0.48 -0.65 0.00 0.00 -1.14 0.18 119.26 119.26 2qoe h ALA 610 Ca 0.12 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.04 2qoe h ALA 610 Cb 0.01 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 17.56 2qoe h ALA 610 CO -0.06 0.06 0.13 -0.09 0.00 0.00 0.00 179.25 179.29 2qoe h ARG 611 N 0.46 0.24 -0.21 0.00 2.43 -0.64 0.39 114.38 117.05 2qoe h ARG 611 Ca 0.13 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 2qoe h ARG 611 Cb 0.16 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2qoe h ARG 611 CO -0.01 0.16 -0.03 1.96 -1.51 0.00 0.00 179.97 180.54 2qoe h GLN 612 N 0.25 0.39 -0.82 0.20 4.20 -0.44 -2.98 115.11 115.91 2qoe h GLN 612 Ca 0.35 -0.14 0.07 0.00 0.06 0.00 0.00 58.65 58.99 2qoe h GLN 612 Cb 0.56 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.25 2qoe h GLN 612 CO -0.46 0.61 0.49 0.74 -0.67 0.00 0.00 178.83 179.55 2qoe h PHE 613 N 0.14 0.91 0.00 2.96 0.04 -0.22 -1.76 116.94 119.00 2qoe h PHE 613 Ca 0.06 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.86 2qoe h PHE 613 Cb 0.45 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.31 2qoe h PHE 613 CO 0.04 0.44 0.00 0.66 -0.60 0.00 0.00 178.31 178.85 2qoe h SER 614 N 0.89 0.00 0.24 2.17 4.64 -0.09 -1.29 113.55 120.10 2qoe h SER 614 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2qoe h SER 614 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2qoe h SER 614 CO -0.19 0.00 -0.88 0.29 -0.87 0.00 0.00 176.83 175.18 2qoe n LYS 615 N -2.78 0.08 -2.21 4.77 5.02 -0.67 -4.53 118.16 117.84 2qoe n LYS 615 Ca -0.02 -0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 55.89 2qoe n LYS 615 Cb 0.09 -1.52 -0.00 0.00 -0.02 0.00 0.00 35.03 33.57 2qoe n LYS 615 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2qoe s MET 616 N -3.06 3.64 0.63 1.97 -1.94 -0.49 -4.93 119.30 115.13 2qoe s MET 616 Ca 0.08 1.80 0.38 0.00 -1.71 0.00 0.00 55.69 56.24 2qoe s MET 616 Cb 0.16 -2.34 2.14 0.00 2.01 0.00 0.00 34.83 36.80 2qoe s MET 616 CO 0.81 -0.66 2.31 0.78 -0.01 0.00 0.00 175.02 178.25 2qoe h GLY 617 N 1.88 0.00 -2.01 -0.03 0.00 -1.87 -2.95 103.07 98.10 2qoe h GLY 617 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2qoe h GLY 617 CO 0.59 0.00 0.00 1.97 0.00 0.00 0.00 176.54 179.10 2qoe n PHE 618 N -3.38 0.38 -4.26 5.60 1.16 -1.26 -4.62 117.46 111.08 2qoe n PHE 618 Ca -0.03 -0.22 -0.34 0.00 -1.87 0.00 0.00 57.45 54.99 2qoe n PHE 618 Cb 0.09 -0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 37.85 2qoe n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2qoe s VAL 619 N -1.43 4.33 -0.54 1.97 1.01 -1.11 0.07 120.40 124.70 2qoe s VAL 619 Ca 0.33 -0.21 -0.24 0.00 0.00 0.00 0.00 61.98 61.85 2qoe s VAL 619 Cb 0.20 -2.89 0.04 0.00 0.00 0.00 0.00 36.38 33.73 2qoe s VAL 619 CO 0.28 0.52 0.95 -0.62 0.00 0.00 0.00 175.10 176.23 2qoe s ASP 620 N -0.07 6.37 0.26 3.32 -1.08 0.13 -4.74 116.67 120.86 2qoe s ASP 620 Ca 0.04 -0.26 0.21 0.00 -0.52 0.00 0.00 52.55 52.02 2qoe s ASP 620 Cb -0.13 -2.44 0.99 0.00 -1.46 0.00 0.00 42.92 39.88 2qoe s ASP 620 CO 0.02 -1.20 1.63 -0.46 0.52 0.00 0.00 175.17 175.67 2qoe n ASN 621 N 7.44 0.54 0.03 -0.34 0.23 -1.26 -0.94 115.26 120.97 2qoe n ASN 621 Ca 0.03 0.69 0.13 0.00 -0.53 0.00 0.00 54.58 54.90 2qoe n ASN 621 Cb 0.48 -0.78 0.40 0.00 -2.08 0.00 0.00 39.78 37.79 2qoe n ASN 621 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2qoe n LYS 622 N -2.16 0.11 -3.35 -3.83 5.02 -1.26 -4.45 118.16 108.24 2qoe n LYS 622 Ca 0.00 0.06 -0.26 0.00 -2.02 0.00 0.00 58.31 56.10 2qoe n LYS 622 Cb 0.12 -1.60 -0.08 0.00 -0.02 0.00 0.00 35.03 33.45 2qoe n LYS 622 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qoe n ARG 623 N -1.78 1.37 -4.93 1.97 1.74 -0.11 -4.83 116.66 110.09 2qoe n ARG 623 Ca 0.06 -3.82 -0.31 0.00 -0.77 0.00 0.00 57.85 53.01 2qoe n ARG 623 Cb 0.38 -1.71 -0.17 0.00 -1.02 0.00 0.00 32.46 29.94 2qoe n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2qoe s ILE 624 N -1.51 1.90 0.31 0.55 1.01 -1.26 -0.84 121.20 121.38 2qoe s ILE 624 Ca 0.36 -0.91 0.06 0.00 0.00 0.00 0.00 60.65 60.15 2qoe s ILE 624 Cb 0.13 -1.67 -0.06 0.00 0.01 0.00 0.00 42.46 40.87 2qoe s ILE 624 CO -0.09 0.52 -0.01 0.00 0.00 0.00 0.00 174.94 175.36 2qoe s ALA 625 N 0.57 2.48 0.00 9.38 0.00 0.56 -1.01 121.76 133.75 2qoe s ALA 625 Ca -0.14 -2.02 0.00 0.00 0.00 0.00 0.00 51.96 49.80 2qoe s ALA 625 Cb -0.17 0.34 -0.00 0.00 0.00 0.00 0.00 23.12 23.29 2qoe s ALA 625 CO 0.04 -0.16 -0.00 -1.50 0.00 0.00 0.00 175.76 174.14 2qoe s ILE 626 N -3.06 0.01 0.10 0.00 2.07 -0.99 0.21 121.20 119.55 2qoe s ILE 626 Ca 0.33 -0.06 -0.12 0.00 -1.41 0.00 0.00 60.65 59.38 2qoe s ILE 626 Cb 0.06 -0.03 0.02 0.00 0.13 0.00 0.00 42.46 42.64 2qoe s ILE 626 CO 0.14 -0.03 0.29 -1.66 -1.91 0.00 0.00 174.94 171.77 2qoe s TRP 627 N -0.10 -0.03 -0.05 3.50 1.48 -0.09 -1.38 118.94 122.28 2qoe s TRP 627 Ca -0.01 -0.31 -0.31 0.00 -1.06 0.00 0.00 56.10 54.41 2qoe s TRP 627 Cb -0.01 0.09 0.11 0.00 -1.16 0.00 0.00 33.47 32.51 2qoe s TRP 627 CO -0.00 -0.60 1.14 0.20 -4.06 0.00 0.00 176.95 173.63 2qoe s GLY 628 N -2.71 -0.35 0.01 3.67 0.00 -0.99 -0.34 107.32 106.61 2qoe s GLY 628 Ca 0.03 0.96 0.07 0.00 0.00 0.00 0.00 44.72 45.77 2qoe s GLY 628 CO -0.10 0.28 -0.20 0.86 0.00 0.00 0.00 173.10 173.93 2qoe s TRP 629 N -2.68 1.79 0.00 1.90 -0.11 -1.26 -1.58 118.94 117.00 2qoe s TRP 629 Ca 0.11 -0.35 0.00 0.00 1.22 0.00 0.00 56.10 57.07 2qoe s TRP 629 Cb 0.01 -1.11 0.00 0.00 -1.50 0.00 0.00 33.47 30.87 2qoe s TRP 629 CO -0.04 0.03 0.00 0.43 -4.62 0.00 0.00 176.95 172.75 2qoe n SER 630 N 2.23 0.00 -0.31 5.86 7.64 -0.28 -0.93 113.62 127.83 2qoe n SER 630 Ca -0.16 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.73 2qoe n SER 630 Cb 0.53 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.93 2qoe n SER 630 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 2qoe h TYR 631 N 0.00 1.10 0.00 1.43 5.03 -1.86 -1.17 116.97 121.50 2qoe h TYR 631 Ca 0.00 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.31 2qoe h TYR 631 Cb 0.00 -0.37 -0.00 0.00 1.55 0.00 0.00 36.73 37.91 2qoe h TYR 631 CO 0.00 0.64 -0.11 0.78 -1.32 0.00 0.00 178.16 178.15 2qoe h GLY 632 N 1.14 0.00 0.92 1.82 0.00 -0.78 -0.84 103.07 105.32 2qoe h GLY 632 Ca 0.36 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.59 2qoe h GLY 632 CO -0.11 0.00 -0.20 -1.33 0.00 0.00 0.00 176.54 174.90 2qoe h GLY 633 N 0.42 0.68 0.39 4.60 0.00 -1.16 -0.92 103.07 107.09 2qoe h GLY 633 Ca -0.00 -0.66 0.04 0.00 0.00 0.00 0.00 47.33 46.71 2qoe h GLY 633 CO 0.01 0.60 -0.23 -1.82 0.00 0.00 0.00 176.54 175.10 2qoe h TYR 634 N 0.36 -0.62 -0.55 5.60 3.20 -0.89 -1.52 116.97 122.55 2qoe h TYR 634 Ca 0.05 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 2qoe h TYR 634 Cb 0.75 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.28 2qoe h TYR 634 CO 0.07 -0.32 0.07 0.28 -1.64 0.00 0.00 178.16 176.62 2qoe h VAL 635 N -0.33 1.26 -0.41 1.81 2.07 -1.16 -0.39 116.25 119.09 2qoe h VAL 635 Ca 0.08 -1.00 0.07 0.00 0.82 0.00 0.00 66.70 66.66 2qoe h VAL 635 Cb 0.44 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 2qoe h VAL 635 CO -0.25 0.36 0.06 0.74 0.02 0.00 0.00 177.57 178.51 2qoe h THR 636 N 0.82 0.76 -0.62 2.57 2.02 -1.11 0.31 112.91 117.66 2qoe h THR 636 Ca 0.17 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.22 2qoe h THR 636 Cb 0.44 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 2qoe h THR 636 CO 0.01 0.03 0.15 0.28 0.37 0.00 0.00 175.52 176.36 2qoe h SER 637 N 0.19 0.94 -0.42 4.18 0.02 -0.83 -0.74 113.55 116.88 2qoe h SER 637 Ca 0.20 -0.24 -0.09 0.00 -0.84 0.00 0.00 61.79 60.82 2qoe h SER 637 Cb 0.25 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2qoe h SER 637 CO -0.28 0.93 -0.07 0.24 -1.14 0.00 0.00 176.83 176.52 2qoe h MET 638 N 0.91 0.86 -0.06 3.45 2.86 -0.83 -1.19 114.93 120.92 2qoe h MET 638 Ca 0.19 -0.27 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2qoe h MET 638 Cb 0.36 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 2qoe h MET 638 CO 0.00 0.90 0.02 0.28 1.06 0.00 0.00 176.91 179.18 2qoe h VAL 639 N 0.78 1.15 0.00 -2.22 2.07 -0.78 -2.30 116.25 114.95 2qoe h VAL 639 Ca 0.14 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 2qoe h VAL 639 Cb 0.56 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2qoe h VAL 639 CO 0.03 0.13 -0.13 -0.07 0.02 0.00 0.00 177.57 177.55 2qoe h LEU 640 N -0.08 0.00 -2.03 2.57 3.38 -1.01 -1.81 115.31 116.33 2qoe h LEU 640 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2qoe h LEU 640 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2qoe h LEU 640 CO -0.00 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.26 2qoe n GLY 641 N -0.24 1.56 0.12 0.83 0.00 -0.46 -4.30 105.19 102.70 2qoe n GLY 641 Ca -0.01 -0.61 0.13 0.00 0.00 0.00 0.00 46.02 45.53 2qoe n GLY 641 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qoe h SER 642 N 3.33 0.00 -0.09 1.61 4.64 -0.73 -3.43 113.55 118.89 2qoe h SER 642 Ca 0.00 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.25 2qoe h SER 642 Cb 0.76 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 2qoe h SER 642 CO 0.00 0.02 -0.03 0.61 -0.87 0.00 0.00 176.83 176.55 2qoe n GLY 643 N 1.26 0.45 0.29 -0.77 0.00 -1.26 -4.93 105.19 100.23 2qoe n GLY 643 Ca 0.05 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 45.99 2qoe n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qoe h SER 644 N 0.00 0.27 0.00 1.61 4.64 -1.92 -3.46 113.55 114.69 2qoe h SER 644 Ca -0.04 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2qoe h SER 644 Cb 0.44 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2qoe h SER 644 CO 0.05 0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.82 2qoe n GLY 645 N -1.50 0.85 0.09 -0.77 0.00 -1.26 -4.92 105.19 97.67 2qoe n GLY 645 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 2qoe n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qoe h VAL 646 N 0.00 1.61 -3.31 1.61 2.07 -1.96 -3.45 116.25 112.82 2qoe h VAL 646 Ca 0.00 -3.16 -0.65 0.00 0.82 0.00 0.00 66.70 63.71 2qoe h VAL 646 Cb 0.01 2.81 -0.17 0.00 -1.52 0.00 0.00 31.29 32.41 2qoe h VAL 646 CO 0.00 0.91 -0.63 -0.36 0.02 0.00 0.00 177.57 177.52 2qoe s PHE 647 N -2.79 3.13 0.02 1.57 0.08 -1.26 -4.57 117.98 114.16 2qoe s PHE 647 Ca -0.01 0.01 -0.15 0.00 0.12 0.00 0.00 56.93 56.90 2qoe s PHE 647 Cb 0.09 -1.90 -0.35 0.00 -0.57 0.00 0.00 43.02 40.29 2qoe s PHE 647 CO 0.84 0.24 0.97 -0.22 -0.10 0.00 0.00 175.22 176.95 2qoe h LYS 648 N 5.97 0.52 -3.42 0.44 3.64 -1.39 -3.45 116.57 118.87 2qoe h LYS 648 Ca -0.41 -0.89 -0.03 0.00 -1.27 0.00 0.00 60.65 58.04 2qoe h LYS 648 Cb 1.19 0.33 -0.10 0.00 -0.41 0.00 0.00 32.23 33.24 2qoe h LYS 648 CO 0.60 1.42 -0.03 0.00 -2.27 0.00 0.00 179.45 179.17 2qoe s GLY 650 N -2.91 -0.49 -0.12 0.00 0.00 0.12 -2.34 107.32 101.59 2qoe s GLY 650 Ca 0.12 1.01 0.02 0.00 0.00 0.00 0.00 44.72 45.87 2qoe s GLY 650 CO -0.00 0.40 -0.16 -0.42 0.00 0.00 0.00 173.10 172.91 2qoe s ILE 651 N -2.97 1.60 -0.18 0.90 1.01 -0.48 -1.67 121.20 119.42 2qoe s ILE 651 Ca 0.03 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 59.93 2qoe s ILE 651 Cb -0.01 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 2qoe s ILE 651 CO -0.08 0.46 -0.04 0.00 0.00 0.00 0.00 174.94 175.29 2qoe s ALA 652 N 0.97 2.92 -0.16 9.38 0.00 -0.40 -2.35 121.76 132.13 2qoe s ALA 652 Ca -0.06 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 2qoe s ALA 652 Cb -0.15 -1.63 -0.01 0.00 0.00 0.00 0.00 23.12 21.33 2qoe s ALA 652 CO -0.02 -0.07 -0.10 0.08 0.00 0.00 0.00 175.76 175.65 2qoe s VAL 653 N 0.86 3.20 -1.35 0.00 1.01 -0.62 -1.68 120.40 121.82 2qoe s VAL 653 Ca -0.01 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 2qoe s VAL 653 Cb -0.15 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.87 2qoe s VAL 653 CO 0.02 0.50 0.21 0.00 0.00 0.00 0.00 175.10 175.82 2qoe n ALA 654 N 3.87 -2.13 -1.80 5.51 0.00 0.33 -1.13 120.51 125.16 2qoe n ALA 654 Ca -0.18 -0.45 -0.34 0.00 0.00 0.00 0.00 53.44 52.47 2qoe n ALA 654 Cb 0.52 -1.28 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 2qoe n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qoe s PRO 655 N -7.19 3.88 0.40 0.00 0.04 -1.26 -3.44 135.00 127.42 2qoe s PRO 655 Ca 0.15 1.30 -0.25 0.00 0.04 0.00 0.00 61.00 62.24 2qoe s PRO 655 Cb -0.09 -2.11 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 2qoe s PRO 655 CO 0.93 -0.36 1.15 0.08 0.04 0.00 0.00 177.00 178.84 2qoe s VAL 656 N -2.04 3.25 0.00 -0.36 1.01 -1.25 -4.41 120.40 116.59 2qoe s VAL 656 Ca 0.66 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.68 2qoe s VAL 656 Cb -0.15 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2qoe s VAL 656 CO 0.19 0.09 0.00 -1.54 0.00 0.00 0.00 175.10 173.84 2qoe n SER 657 N 0.09 3.39 -3.65 3.32 3.41 -1.26 -4.03 113.62 114.89 2qoe n SER 657 Ca 0.04 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.61 2qoe n SER 657 Cb 0.47 0.67 -0.06 0.00 -0.26 0.00 0.00 64.21 65.03 2qoe n SER 657 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2qoe s ARG 658 N -1.37 0.58 0.54 4.33 3.52 -1.26 -1.21 118.95 124.08 2qoe s ARG 658 Ca 0.00 1.32 0.27 0.00 -0.13 0.00 0.00 55.73 57.19 2qoe s ARG 658 Cb 0.00 0.57 1.54 0.00 -1.56 0.00 0.00 34.95 35.50 2qoe s ARG 658 CO 0.00 -0.19 2.12 -1.49 -0.81 0.00 0.00 175.30 174.93 2qoe h TRP 659 N 7.69 0.00 0.00 5.12 4.06 -1.87 -0.99 115.95 129.97 2qoe h TRP 659 Ca -0.22 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.73 2qoe h TRP 659 Cb 1.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 2qoe h TRP 659 CO 0.15 0.09 0.00 0.93 -3.56 0.00 0.00 178.44 176.04 2qoe h GLU 660 N 0.00 0.00 0.00 0.49 5.08 -1.91 -2.44 114.58 115.80 2qoe h GLU 660 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2qoe h GLU 660 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2qoe h GLU 660 CO 0.01 0.00 -0.60 1.88 -1.00 0.00 0.00 179.01 179.30 2qoe h TYR 661 N 0.00 0.00 -2.79 4.33 0.05 -1.55 -3.31 116.97 113.69 2qoe h TYR 661 Ca 0.00 0.00 -0.45 0.00 0.05 0.00 0.00 58.73 58.33 2qoe h TYR 661 Cb 0.15 0.00 0.05 0.00 1.01 0.00 0.00 36.73 37.93 2qoe h TYR 661 CO 0.00 0.00 0.00 -0.47 -1.05 0.00 0.00 178.16 176.64 2qoe s TYR 662 N -3.18 2.96 0.65 4.88 5.04 -0.92 -4.80 117.35 121.98 2qoe s TYR 662 Ca 0.06 0.13 -0.14 0.00 -2.44 0.00 0.00 57.07 54.68 2qoe s TYR 662 Cb 0.13 -2.73 -0.01 0.00 0.35 0.00 0.00 41.96 39.70 2qoe s TYR 662 CO 0.72 -0.84 1.08 0.16 -1.34 0.00 0.00 175.55 175.33 2qoe s ASP 663 N -4.39 5.37 0.05 4.32 1.47 -1.26 -0.72 116.67 121.50 2qoe s ASP 663 Ca 0.56 1.87 -0.25 0.00 1.18 0.00 0.00 52.55 55.90 2qoe s ASP 663 Cb -0.10 -2.53 -0.17 0.00 -0.34 0.00 0.00 42.92 39.77 2qoe s ASP 663 CO 0.40 -1.45 1.54 0.77 0.68 0.00 0.00 175.17 177.11 2qoe h SER 664 N 0.02 -0.12 -0.15 2.11 4.64 -1.04 -2.20 113.55 116.81 2qoe h SER 664 Ca -0.46 -0.14 0.02 0.00 -0.47 0.00 0.00 61.79 60.73 2qoe h SER 664 Cb 1.23 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 2qoe h SER 664 CO 0.55 0.08 0.04 0.58 -0.87 0.00 0.00 176.83 177.21 2qoe h VAL 665 N -0.31 0.94 0.08 0.95 2.07 -1.94 0.70 116.25 118.75 2qoe h VAL 665 Ca -0.01 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2qoe h VAL 665 Cb 0.25 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2qoe h VAL 665 CO 0.02 0.02 -0.04 0.22 0.02 0.00 0.00 177.57 177.81 2qoe h TYR 666 N 0.10 -0.10 0.11 1.57 5.03 -1.91 -3.19 116.97 118.58 2qoe h TYR 666 Ca 0.07 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.37 2qoe h TYR 666 Cb 0.05 0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.37 2qoe h TYR 666 CO -0.12 0.27 -0.05 1.15 -1.32 0.00 0.00 178.16 178.09 2qoe h THR 667 N -0.49 1.05 0.00 1.81 2.02 -1.18 -2.96 112.91 113.16 2qoe h THR 667 Ca -0.01 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 66.54 2qoe h THR 667 Cb 0.41 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.25 2qoe h THR 667 CO 0.02 0.15 -0.10 -0.33 0.37 0.00 0.00 175.52 175.62 2qoe h GLU 668 N -0.42 0.00 -0.83 6.66 5.08 -1.03 0.78 114.58 124.81 2qoe h GLU 668 Ca -0.01 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.46 2qoe h GLU 668 Cb 0.35 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.52 2qoe h GLU 668 CO 0.02 0.10 0.46 -0.09 -1.00 0.00 0.00 179.01 178.50 2qoe h ARG 669 N 0.00 0.71 0.00 2.33 2.43 -1.50 -0.31 114.38 118.03 2qoe h ARG 669 Ca -0.00 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 2qoe h ARG 669 Cb 0.30 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2qoe h ARG 669 CO 0.01 0.47 -1.97 0.66 -1.51 0.00 0.00 179.97 177.64 2qoe n TYR 670 N -4.79 0.00 0.25 2.20 4.01 -0.91 -4.55 117.16 113.37 2qoe n TYR 670 Ca 0.15 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.91 2qoe n TYR 670 Cb 0.33 -0.54 -0.03 0.00 -0.31 0.00 0.00 39.34 38.78 2qoe n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2qoe n MET 671 N -2.28 5.12 0.00 -0.72 2.81 0.22 0.98 117.12 123.24 2qoe n MET 671 Ca -0.09 -0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 2qoe n MET 671 Cb 0.63 -0.76 0.00 0.00 -0.71 0.00 0.00 33.22 32.38 2qoe n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qoe n GLY 672 N 1.15 0.60 3.85 3.03 0.00 -0.14 -4.69 105.19 109.00 2qoe n GLY 672 Ca 0.01 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 2qoe n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qoe s LEU 673 N 0.00 4.40 -1.46 0.99 1.43 -1.26 -4.31 118.68 118.46 2qoe s LEU 673 Ca 0.00 0.96 -0.08 0.00 -1.03 0.00 0.00 54.13 53.97 2qoe s LEU 673 Cb 0.00 -2.95 0.03 0.00 0.03 0.00 0.00 46.19 43.30 2qoe s LEU 673 CO 0.00 0.20 2.58 -0.81 0.23 0.00 0.00 176.35 178.55 2qoe n PRO 674 N 1.19 3.99 -4.35 1.29 -0.04 -1.26 -1.41 135.00 134.41 2qoe n PRO 674 Ca -0.09 -2.85 -0.24 0.00 -0.04 0.00 0.00 63.50 60.27 2qoe n PRO 674 Cb 0.52 -2.78 -0.12 0.00 -0.04 0.00 0.00 33.50 31.08 2qoe n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2qoe s THR 675 N 0.77 1.98 0.44 0.52 -4.23 -1.26 -4.60 115.64 109.26 2qoe s THR 675 Ca 0.59 -1.84 0.13 0.00 -1.18 0.00 0.00 61.69 59.40 2qoe s THR 675 Cb 0.17 -1.86 0.31 0.00 1.34 0.00 0.00 72.50 72.46 2qoe s THR 675 CO -0.07 -0.16 2.02 -0.65 -0.54 0.00 0.00 174.62 175.22 2qoe h PRO 676 N 3.51 0.36 0.00 3.99 0.11 -1.96 -0.93 132.00 137.08 2qoe h PRO 676 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2qoe h PRO 676 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2qoe h PRO 676 CO 0.46 0.24 0.00 0.39 -0.21 0.00 0.00 178.00 178.88 2qoe n GLU 677 N -4.47 0.13 0.00 1.05 4.71 -1.26 -4.65 120.64 116.15 2qoe n GLU 677 Ca 0.07 0.30 0.00 0.00 -0.01 0.00 0.00 57.16 57.52 2qoe n GLU 677 Cb 0.29 -1.72 0.00 0.00 -1.01 0.00 0.00 31.44 29.00 2qoe n GLU 677 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2qoe n ASP 678 N -1.96 0.00 -0.43 1.62 -0.08 -0.44 -5.05 116.55 110.21 2qoe n ASP 678 Ca 0.04 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.33 2qoe n ASP 678 Cb 0.25 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.74 2qoe n ASP 678 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2qoe n ASN 679 N 0.00 0.39 -0.21 1.67 5.15 -0.50 -4.89 115.26 116.88 2qoe n ASN 679 Ca 0.00 -2.18 0.02 0.00 -0.60 0.00 0.00 54.58 51.82 2qoe n ASN 679 Cb 0.00 -0.24 0.12 0.00 -0.53 0.00 0.00 39.78 39.13 2qoe n ASN 679 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2qoe h LEU 680 N 0.00 -0.12 -0.93 1.20 5.85 -1.42 -2.15 115.31 117.74 2qoe h LEU 680 Ca 0.00 0.14 0.13 0.00 0.84 0.00 0.00 57.88 58.98 2qoe h LEU 680 Cb 1.33 0.21 -0.09 0.00 0.37 0.00 0.00 40.66 42.49 2qoe h LEU 680 CO 0.00 -0.06 0.55 0.44 -0.34 0.00 0.00 178.44 179.03 2qoe h ASP 681 N 0.20 0.77 0.84 1.25 3.32 -1.90 -0.59 116.42 120.30 2qoe h ASP 681 Ca 0.34 0.06 -0.19 0.00 0.02 0.00 0.00 57.03 57.26 2qoe h ASP 681 Cb 0.54 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2qoe h ASP 681 CO -0.48 0.38 -0.88 -0.74 -1.72 0.00 0.00 179.24 175.81 2qoe h HIS 682 N 0.84 0.04 -0.89 4.55 2.76 -1.78 -1.66 115.15 119.01 2qoe h HIS 682 Ca 0.48 -0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.72 2qoe h HIS 682 Cb 0.54 -0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.42 2qoe h HIS 682 CO -0.04 0.89 0.54 1.88 -1.30 0.00 0.00 177.93 179.90 2qoe h TYR 683 N 0.01 0.98 0.00 5.26 0.05 -0.70 -2.62 116.97 119.96 2qoe h TYR 683 Ca -0.02 0.03 -0.20 0.00 0.05 0.00 0.00 58.73 58.59 2qoe h TYR 683 Cb 1.55 -0.31 -0.03 0.00 1.01 0.00 0.00 36.73 38.95 2qoe h TYR 683 CO 0.00 0.42 -0.97 0.00 -1.05 0.00 0.00 178.16 176.56 2qoe h ARG 684 N 0.90 0.00 -0.23 4.88 2.47 -0.96 -3.29 114.38 118.15 2qoe h ARG 684 Ca 0.43 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.15 2qoe h ARG 684 Cb 0.36 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 2qoe h ARG 684 CO -0.24 0.97 0.00 0.09 0.56 0.00 0.00 179.97 181.36 2qoe n ASN 685 N -3.38 2.40 -1.24 7.04 3.02 -0.64 -4.20 115.26 118.26 2qoe n ASN 685 Ca -0.00 -1.83 -0.04 0.00 -0.03 0.00 0.00 54.58 52.69 2qoe n ASN 685 Cb 0.92 -0.15 0.21 0.00 -0.61 0.00 0.00 39.78 40.16 2qoe n ASN 685 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2qoe n SER 686 N 0.81 2.95 -4.89 6.41 3.41 -1.00 -5.01 113.62 116.31 2qoe n SER 686 Ca 0.17 -3.59 -0.31 0.00 -0.26 0.00 0.00 58.87 54.88 2qoe n SER 686 Cb 0.45 -0.64 -0.05 0.00 -0.26 0.00 0.00 64.21 63.71 2qoe n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2qoe s THR 687 N -3.16 5.06 0.14 6.66 -4.23 -1.26 -4.79 115.64 114.06 2qoe s THR 687 Ca 0.46 0.21 -0.13 0.00 -1.18 0.00 0.00 61.69 61.04 2qoe s THR 687 Cb 0.40 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.62 2qoe s THR 687 CO 0.03 -0.03 1.59 0.58 -0.54 0.00 0.00 174.62 176.25 2qoe h VAL 688 N 1.98 1.26 -1.00 2.29 2.07 -1.51 -3.29 116.25 118.05 2qoe h VAL 688 Ca -0.46 -1.03 0.19 0.00 0.82 0.00 0.00 66.70 66.21 2qoe h VAL 688 Cb 1.17 1.03 -0.11 0.00 -1.52 0.00 0.00 31.29 31.86 2qoe h VAL 688 CO 0.71 0.36 0.61 0.24 0.02 0.00 0.00 177.57 179.50 2qoe h MET 689 N 0.65 0.73 0.00 1.57 2.86 -1.91 -0.39 114.93 118.44 2qoe h MET 689 Ca 0.13 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2qoe h MET 689 Cb 0.49 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2qoe h MET 689 CO 0.02 0.48 0.00 0.66 1.06 0.00 0.00 176.91 179.14 2qoe h SER 690 N 0.75 0.00 -0.39 1.22 4.64 -1.94 -2.62 113.55 115.22 2qoe h SER 690 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 2qoe h SER 690 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2qoe h SER 690 CO -0.39 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.11 2qoe n ARG 691 N -2.72 2.45 -0.26 4.77 1.74 -0.16 -4.70 116.66 117.77 2qoe n ARG 691 Ca -0.01 -2.19 0.06 0.00 -0.77 0.00 0.00 57.85 54.95 2qoe n ARG 691 Cb 0.15 -1.51 0.19 0.00 -1.02 0.00 0.00 32.46 30.27 2qoe n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qoe h ALA 692 N 4.46 0.93 -0.73 7.54 0.00 -1.51 -0.66 119.26 129.29 2qoe h ALA 692 Ca 0.00 0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.22 2qoe h ALA 692 Cb 0.94 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 2qoe h ALA 692 CO 0.00 -0.39 0.48 1.49 0.00 0.00 0.00 179.25 180.83 2qoe h GLU 693 N 0.20 0.52 0.00 0.00 4.57 -1.86 -1.68 114.58 116.33 2qoe h GLU 693 Ca 0.43 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.58 2qoe h GLU 693 Cb 0.77 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 2qoe h GLU 693 CO -0.58 0.35 0.00 0.09 -1.18 0.00 0.00 179.01 177.68 2qoe n ASN 694 N -4.49 0.00 0.03 1.04 5.03 -0.25 -2.74 115.26 113.87 2qoe n ASN 694 Ca 0.13 0.35 0.12 0.00 0.87 0.00 0.00 54.58 56.05 2qoe n ASN 694 Cb 0.40 -0.43 0.49 0.00 -1.02 0.00 0.00 39.78 39.22 2qoe n ASN 694 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2qoe n PHE 695 N -1.43 0.19 0.14 3.10 3.72 -0.63 -4.01 117.46 118.54 2qoe n PHE 695 Ca 0.05 0.06 0.19 0.00 -0.05 0.00 0.00 57.45 57.70 2qoe n PHE 695 Cb 0.17 -0.60 0.78 0.00 -0.94 0.00 0.00 39.48 38.88 2qoe n PHE 695 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2qoe h LYS 696 N 0.00 0.00 -0.34 -1.08 3.64 -1.70 -2.33 116.57 114.75 2qoe h LYS 696 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2qoe h LYS 696 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2qoe h LYS 696 CO 0.00 0.00 0.00 1.04 -2.27 0.00 0.00 179.45 178.22 2qoe n GLN 697 N -3.86 3.03 -4.30 1.90 6.02 -1.26 -4.99 117.38 113.93 2qoe n GLN 697 Ca 0.05 -2.52 -0.17 0.00 -0.01 0.00 0.00 57.00 54.35 2qoe n GLN 697 Cb 0.47 -1.62 -0.10 0.00 1.02 0.00 0.00 30.24 30.01 2qoe n GLN 697 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2qoe s VAL 698 N -1.97 1.48 -0.19 5.09 -7.23 -0.88 -4.92 120.40 111.79 2qoe s VAL 698 Ca 0.35 -2.10 -0.12 0.00 -1.81 0.00 0.00 61.98 58.31 2qoe s VAL 698 Cb 0.25 -1.91 -0.05 0.00 0.56 0.00 0.00 36.38 35.23 2qoe s VAL 698 CO 0.13 -0.63 0.20 -1.61 -0.31 0.00 0.00 175.10 172.88 2qoe s GLU 699 N -3.57 4.21 -0.06 4.82 2.02 -0.49 -4.99 118.70 120.65 2qoe s GLU 699 Ca 0.19 -0.10 0.01 0.00 0.02 0.00 0.00 54.97 55.10 2qoe s GLU 699 Cb 0.00 -3.43 0.02 0.00 0.10 0.00 0.00 34.13 30.82 2qoe s GLU 699 CO 0.04 0.26 -0.08 -0.47 0.02 0.00 0.00 175.26 175.03 2qoe s TYR 700 N 0.44 1.13 -0.18 1.61 5.04 -1.26 -0.70 117.35 123.42 2qoe s TYR 700 Ca 0.11 -0.40 -0.01 0.00 -2.44 0.00 0.00 57.07 54.34 2qoe s TYR 700 Cb -0.12 -0.89 0.00 0.00 0.35 0.00 0.00 41.96 41.30 2qoe s TYR 700 CO 0.01 -0.26 -0.14 -1.17 -1.34 0.00 0.00 175.55 172.65 2qoe s LEU 701 N 0.87 2.47 -0.17 6.97 2.96 -0.67 -0.10 118.68 131.00 2qoe s LEU 701 Ca -0.11 -0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 53.28 2qoe s LEU 701 Cb -0.15 -1.58 -0.00 0.00 0.50 0.00 0.00 46.19 44.96 2qoe s LEU 701 CO 0.01 0.03 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.74 2qoe s LEU 702 N 1.13 2.65 -0.02 -0.68 2.96 0.34 -1.27 118.68 123.79 2qoe s LEU 702 Ca 0.01 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 2qoe s LEU 702 Cb -0.14 -1.63 -0.00 0.00 0.50 0.00 0.00 46.19 44.92 2qoe s LEU 702 CO -0.05 0.06 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.30 2qoe s ILE 703 N 0.96 0.90 -0.23 6.68 1.01 -0.68 -1.15 121.20 128.70 2qoe s ILE 703 Ca -0.02 -0.44 -0.21 0.00 0.00 0.00 0.00 60.65 59.98 2qoe s ILE 703 Cb -0.15 -0.78 0.06 0.00 0.01 0.00 0.00 42.46 41.60 2qoe s ILE 703 CO -0.01 0.27 0.62 -2.28 0.00 0.00 0.00 174.94 173.54 2qoe s HIS 704 N 0.04 -0.69 0.18 3.97 2.46 -0.83 -0.51 115.29 119.91 2qoe s HIS 704 Ca -0.01 1.67 -0.30 0.00 0.47 0.00 0.00 55.06 56.89 2qoe s HIS 704 Cb -0.08 0.24 -0.08 0.00 -0.13 0.00 0.00 32.58 32.54 2qoe s HIS 704 CO 0.00 -0.33 0.97 0.20 -2.47 0.00 0.00 174.74 173.11 2qoe s GLY 705 N 0.38 3.05 0.49 1.59 0.00 -1.26 -1.42 107.32 110.15 2qoe s GLY 705 Ca -0.00 0.63 0.27 0.00 0.00 0.00 0.00 44.72 45.61 2qoe s GLY 705 CO 0.00 1.35 1.94 -0.91 0.00 0.00 0.00 173.10 175.48 2qoe h THR 706 N 3.56 0.45 -0.73 0.90 1.35 -1.21 -2.95 112.91 114.28 2qoe h THR 706 Ca -0.44 -0.81 -0.36 0.00 -0.55 0.00 0.00 66.41 64.25 2qoe h THR 706 Cb 1.21 1.58 -0.21 0.00 -1.73 0.00 0.00 68.15 68.99 2qoe h THR 706 CO 0.70 0.15 0.34 0.00 -0.25 0.00 0.00 175.52 176.46 2qoe n ALA 707 N -2.21 4.99 -2.09 6.62 0.00 -0.65 -4.72 120.51 122.45 2qoe n ALA 707 Ca -0.00 -2.93 -0.43 0.00 0.00 0.00 0.00 53.44 50.08 2qoe n ALA 707 Cb 0.34 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 2qoe n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qoe s ASP 708 N -1.74 6.05 0.08 0.00 -1.08 -1.11 -4.19 116.67 114.67 2qoe s ASP 708 Ca 0.52 1.22 0.26 0.00 -0.52 0.00 0.00 52.55 54.03 2qoe s ASP 708 Cb 0.45 -2.53 0.62 0.00 -1.46 0.00 0.00 42.92 39.99 2qoe s ASP 708 CO 0.07 -1.60 1.52 -0.90 0.52 0.00 0.00 175.17 174.79 2qoe n ASP 709 N 9.75 0.54 0.00 -0.34 5.75 -1.26 -4.04 116.55 126.95 2qoe n ASP 709 Ca 0.21 0.16 0.00 0.00 -0.01 0.00 0.00 54.79 55.14 2qoe n ASP 709 Cb 0.47 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 2qoe n ASP 709 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2qoe n ASN 710 N -1.86 0.00 -4.35 -1.12 2.85 -1.26 -4.76 115.26 104.76 2qoe n ASN 710 Ca 0.05 0.13 -0.45 0.00 -0.11 0.00 0.00 54.58 54.20 2qoe n ASN 710 Cb 0.39 -0.46 -0.06 0.00 1.24 0.00 0.00 39.78 40.89 2qoe n ASN 710 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2qoe s VAL 711 N -0.92 5.17 0.45 3.44 1.01 -1.26 -4.83 120.40 123.45 2qoe s VAL 711 Ca 0.00 -1.23 -0.25 0.00 0.00 0.00 0.00 61.98 60.49 2qoe s VAL 711 Cb 0.00 -4.27 -0.08 0.00 0.00 0.00 0.00 36.38 32.03 2qoe s VAL 711 CO 0.00 -0.77 1.43 1.41 0.00 0.00 0.00 175.10 177.16 2qoe n HIS 712 N 5.37 2.68 -0.36 5.22 8.25 -1.26 -4.70 115.22 130.43 2qoe n HIS 712 Ca -0.13 0.44 0.26 0.00 -0.26 0.00 0.00 57.72 58.03 2qoe n HIS 712 Cb 0.42 -2.46 0.51 0.00 1.12 0.00 0.00 29.99 29.58 2qoe n HIS 712 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 2qoe h PHE 713 N 2.28 0.78 -0.51 4.41 3.57 -1.79 -0.26 116.94 125.43 2qoe h PHE 713 Ca -0.51 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.13 2qoe h PHE 713 Cb 1.27 -0.21 -0.10 0.00 2.79 0.00 0.00 35.95 39.70 2qoe h PHE 713 CO 0.50 -0.09 -0.10 0.94 -2.23 0.00 0.00 178.31 177.32 2qoe n GLN 714 N -4.84 -0.04 -0.04 1.11 7.27 -1.26 -0.79 117.38 118.78 2qoe n GLN 714 Ca 0.31 0.79 -0.08 0.00 0.07 0.00 0.00 57.00 58.08 2qoe n GLN 714 Cb 1.02 -1.19 -0.02 0.00 2.41 0.00 0.00 30.24 32.46 2qoe n GLN 714 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 2qoe h GLN 715 N 0.00 0.05 -0.10 3.69 4.20 -1.35 0.67 115.11 122.27 2qoe h GLN 715 Ca 0.25 -0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.82 2qoe h GLN 715 Cb 0.42 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2qoe h GLN 715 CO -0.51 0.03 -0.56 0.77 -0.67 0.00 0.00 178.83 177.89 2qoe h SER 716 N 0.05 0.32 -0.44 1.46 0.02 -1.35 -2.75 113.55 110.86 2qoe h SER 716 Ca 0.10 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 2qoe h SER 716 Cb 0.13 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2qoe h SER 716 CO -0.17 0.82 0.22 0.00 -1.14 0.00 0.00 176.83 176.56 2qoe h ALA 717 N 1.19 1.49 0.03 3.77 0.00 -0.27 -1.40 119.26 124.06 2qoe h ALA 717 Ca 0.00 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 2qoe h ALA 717 Cb 1.05 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2qoe h ALA 717 CO 0.09 0.40 -0.99 1.96 0.00 0.00 0.00 179.25 180.71 2qoe h GLN 718 N 0.67 0.36 -0.01 0.00 1.08 -0.83 -2.86 115.11 113.53 2qoe h GLN 718 Ca 0.17 -0.42 0.02 0.00 -1.45 0.00 0.00 58.65 56.97 2qoe h GLN 718 Cb 0.08 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2qoe h GLN 718 CO -0.02 1.11 -0.11 0.82 -0.95 0.00 0.00 178.83 179.68 2qoe h ILE 719 N 0.19 0.72 -0.67 2.54 2.04 -1.18 -2.25 117.51 118.91 2qoe h ILE 719 Ca -0.09 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.70 2qoe h ILE 719 Cb 1.64 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 2qoe h ILE 719 CO 0.17 0.00 0.14 0.77 0.00 0.00 0.00 178.15 179.23 2qoe h SER 720 N -0.18 1.02 -0.44 1.72 4.64 -1.30 -1.87 113.55 117.13 2qoe h SER 720 Ca 0.04 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 2qoe h SER 720 Cb 0.24 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 2qoe h SER 720 CO -0.11 1.00 0.25 0.50 -0.87 0.00 0.00 176.83 177.59 2qoe h LYS 721 N 1.02 0.61 -0.73 4.77 3.64 -1.48 -0.03 116.57 124.36 2qoe h LYS 721 Ca 0.21 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2qoe h LYS 721 Cb 0.39 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 2qoe h LYS 721 CO 0.01 0.48 0.48 0.00 -2.27 0.00 0.00 179.45 178.14 2qoe h ALA 722 N 1.10 0.94 -0.33 5.00 0.00 -0.96 0.51 119.26 125.52 2qoe h ALA 722 Ca 0.16 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2qoe h ALA 722 Cb 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2qoe h ALA 722 CO -0.03 0.32 -0.02 -0.07 0.00 0.00 0.00 179.25 179.45 2qoe h LEU 723 N 0.97 0.60 -0.62 0.00 3.38 -1.10 -2.59 115.31 115.94 2qoe h LEU 723 Ca 0.28 -0.33 0.09 0.00 0.09 0.00 0.00 57.88 58.01 2qoe h LEU 723 Cb -0.07 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.45 2qoe h LEU 723 CO -0.07 0.78 0.27 0.58 0.09 0.00 0.00 178.44 180.09 2qoe h VAL 724 N 0.40 0.82 -0.18 1.22 2.07 -0.85 0.08 116.25 119.81 2qoe h VAL 724 Ca 0.09 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2qoe h VAL 724 Cb 0.49 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2qoe h VAL 724 CO 0.02 0.09 0.04 0.44 0.02 0.00 0.00 177.57 178.18 2qoe h ASP 725 N 0.47 0.23 -0.39 0.57 3.32 -0.67 -2.25 116.42 117.70 2qoe h ASP 725 Ca 0.31 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.34 2qoe h ASP 725 Cb 0.34 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2qoe h ASP 725 CO -0.27 0.24 0.00 1.33 -1.72 0.00 0.00 179.24 178.81 2qoe n VAL 726 N -4.43 0.50 -2.87 -1.35 0.24 -1.00 -4.98 118.33 104.44 2qoe n VAL 726 Ca -0.00 -0.71 -0.09 0.00 -2.04 0.00 0.00 64.34 61.50 2qoe n VAL 726 Cb 0.14 0.85 0.03 0.00 -1.47 0.00 0.00 33.84 33.39 2qoe n VAL 726 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qoe n GLY 727 N 1.47 0.37 3.52 7.63 0.00 -0.81 -4.98 105.19 112.38 2qoe n GLY 727 Ca 0.19 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 2qoe n GLY 727 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qoe s VAL 728 N -3.12 4.52 0.28 1.61 1.01 -0.05 -5.03 120.40 119.62 2qoe s VAL 728 Ca 0.20 -0.11 -0.28 0.00 0.00 0.00 0.00 61.98 61.78 2qoe s VAL 728 Cb -0.09 -3.09 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 2qoe s VAL 728 CO 0.27 0.37 0.96 -0.62 0.00 0.00 0.00 175.10 176.09 2qoe s ASP 729 N 1.19 7.47 0.32 3.32 2.15 -1.26 -4.39 116.67 125.46 2qoe s ASP 729 Ca 0.05 1.94 -0.13 0.00 0.43 0.00 0.00 52.55 54.84 2qoe s ASP 729 Cb -0.14 -2.60 0.02 0.00 -0.30 0.00 0.00 42.92 39.90 2qoe s ASP 729 CO 0.03 0.02 0.62 0.72 -0.17 0.00 0.00 175.17 176.40 2qoe s PHE 730 N -1.35 0.33 -0.07 -5.34 -0.12 -1.26 -4.78 117.98 105.38 2qoe s PHE 730 Ca 0.45 -0.77 -0.02 0.00 -0.05 0.00 0.00 56.93 56.54 2qoe s PHE 730 Cb -0.24 0.43 -0.03 0.00 -0.63 0.00 0.00 43.02 42.55 2qoe s PHE 730 CO 0.30 -1.25 0.02 -0.65 -0.05 0.00 0.00 175.22 173.59 2qoe s GLN 731 N -3.29 3.00 0.05 1.99 -1.52 0.86 -5.02 119.66 115.74 2qoe s GLN 731 Ca 0.20 -0.41 0.03 0.00 -1.95 0.00 0.00 55.36 53.22 2qoe s GLN 731 Cb -0.03 -2.82 -0.03 0.00 -0.22 0.00 0.00 33.01 29.92 2qoe s GLN 731 CO 0.12 0.70 -0.09 0.00 -0.25 0.00 0.00 175.29 175.77 2qoe s ALA 732 N -0.94 0.69 -0.16 6.09 0.00 -1.26 -0.50 121.76 125.68 2qoe s ALA 732 Ca 0.15 -0.85 -0.07 0.00 0.00 0.00 0.00 51.96 51.20 2qoe s ALA 732 Cb -0.11 0.04 0.07 0.00 0.00 0.00 0.00 23.12 23.11 2qoe s ALA 732 CO 0.04 -0.01 0.35 1.41 0.00 0.00 0.00 175.76 177.54 2qoe s MET 733 N -1.79 0.27 0.13 0.00 1.75 -0.30 -4.93 119.30 114.42 2qoe s MET 733 Ca -0.07 0.83 -0.03 0.00 -1.25 0.00 0.00 55.69 55.17 2qoe s MET 733 Cb -0.09 0.08 -0.05 0.00 2.84 0.00 0.00 34.83 37.62 2qoe s MET 733 CO 0.00 -0.23 0.33 1.67 -0.65 0.00 0.00 175.02 176.14 2qoe s TRP 734 N 2.11 3.49 -0.30 4.11 -2.14 -1.26 -1.97 118.94 122.98 2qoe s TRP 734 Ca -0.04 0.44 0.00 0.00 2.66 0.00 0.00 56.10 59.17 2qoe s TRP 734 Cb -0.11 -1.91 0.06 0.00 -3.10 0.00 0.00 33.47 28.41 2qoe s TRP 734 CO -0.11 0.47 -0.02 0.71 -2.66 0.00 0.00 176.95 175.35 2qoe s TYR 735 N -1.64 3.33 0.02 1.66 1.51 -0.51 -4.93 117.35 116.78 2qoe s TYR 735 Ca 0.39 -2.14 -0.30 0.00 -1.01 0.00 0.00 57.07 54.01 2qoe s TYR 735 Cb -0.12 -2.19 -0.08 0.00 -0.11 0.00 0.00 41.96 39.46 2qoe s TYR 735 CO 0.26 -0.85 1.78 0.99 -1.11 0.00 0.00 175.55 176.62 2qoe s THR 736 N 1.17 3.20 -0.00 -0.71 2.01 -1.26 -1.33 115.64 118.72 2qoe s THR 736 Ca -0.04 0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.32 2qoe s THR 736 Cb -0.20 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.07 2qoe s THR 736 CO -0.03 -0.02 0.00 0.47 -0.69 0.00 0.00 174.62 174.35 2qoe n ASP 737 N 6.88 -3.89 -4.83 3.53 8.00 -1.26 -4.90 116.55 120.08 2qoe n ASP 737 Ca 0.18 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.33 2qoe n ASP 737 Cb 0.41 -1.39 -0.06 0.00 -0.02 0.00 0.00 41.12 40.06 2qoe n ASP 737 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2qoe s GLU 738 N -0.60 4.10 0.00 -1.24 0.41 -1.07 -4.65 118.70 115.65 2qoe s GLU 738 Ca 0.00 0.67 0.00 0.00 -0.41 0.00 0.00 54.97 55.23 2qoe s GLU 738 Cb 0.00 -2.88 0.00 0.00 -1.78 0.00 0.00 34.13 29.47 2qoe s GLU 738 CO 0.00 0.42 0.00 -0.40 -0.49 0.00 0.00 175.26 174.79 2qoe n ASP 739 N 0.70 0.00 0.24 -0.19 5.68 -1.26 -1.64 116.55 120.09 2qoe n ASP 739 Ca -0.03 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.36 2qoe n ASP 739 Cb 0.52 0.00 0.62 0.00 -1.14 0.00 0.00 41.12 41.11 2qoe n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 2qoe h HIS 740 N 0.00 0.00 0.00 2.11 -0.00 -1.92 -2.72 115.15 112.62 2qoe h HIS 740 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2qoe h HIS 740 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2qoe h HIS 740 CO 0.00 0.18 -0.31 0.78 -0.00 0.00 0.00 177.93 178.58 2qoe h GLY 741 N 1.02 0.00 -6.96 5.26 0.00 -1.99 -3.48 103.07 96.92 2qoe h GLY 741 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.78 2qoe h GLY 741 CO 0.02 0.00 -0.89 1.39 0.00 0.00 0.00 176.54 177.07 2qoe n ILE 742 N -2.95 -1.74 0.24 2.60 5.41 -1.02 -4.85 119.36 117.06 2qoe n ILE 742 Ca 0.03 -0.49 0.03 0.00 1.00 0.00 0.00 62.75 63.31 2qoe n ILE 742 Cb 0.53 -1.53 0.01 0.00 -0.71 0.00 0.00 39.64 37.95 2qoe n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qoe n ALA 743 N -4.46 2.53 -1.70 -1.39 0.00 -1.26 -3.67 120.51 110.55 2qoe n ALA 743 Ca -0.18 -0.46 -0.37 0.00 0.00 0.00 0.00 53.44 52.43 2qoe n ALA 743 Cb 0.55 -0.20 0.07 0.00 0.00 0.00 0.00 19.45 19.87 2qoe n ALA 743 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qoe n SER 744 N 0.01 1.81 -0.13 0.00 3.41 -1.26 -4.73 113.62 112.73 2qoe n SER 744 Ca 0.03 0.83 -0.04 0.00 -0.26 0.00 0.00 58.87 59.42 2qoe n SER 744 Cb 0.13 -1.52 0.04 0.00 -0.26 0.00 0.00 64.21 62.60 2qoe n SER 744 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2qoe h SER 745 N 0.53 0.05 -0.28 4.04 0.87 -1.99 -0.28 113.55 116.49 2qoe h SER 745 Ca -0.50 0.07 -0.12 0.00 -1.23 0.00 0.00 61.79 60.00 2qoe h SER 745 Cb 1.34 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 63.38 2qoe h SER 745 CO 0.53 0.06 -0.28 0.71 -0.53 0.00 0.00 176.83 177.31 2qoe h THR 746 N 0.24 1.30 -0.48 2.23 1.35 -1.98 -2.75 112.91 112.83 2qoe h THR 746 Ca 0.20 -1.45 -0.08 0.00 -0.55 0.00 0.00 66.41 64.53 2qoe h THR 746 Cb 0.23 1.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.24 2qoe h THR 746 CO -0.25 0.46 -0.03 0.00 -0.25 0.00 0.00 175.52 175.45 2qoe h ALA 747 N 0.70 1.05 -0.39 6.62 0.00 -1.84 -1.36 119.26 124.03 2qoe h ALA 747 Ca 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2qoe h ALA 747 Cb 0.85 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2qoe h ALA 747 CO 0.07 0.59 0.19 1.25 0.00 0.00 0.00 179.25 181.35 2qoe h HIS 748 N 0.75 0.57 -0.67 0.00 2.76 -1.06 0.13 115.15 117.64 2qoe h HIS 748 Ca 0.14 -0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.21 2qoe h HIS 748 Cb 0.50 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.25 2qoe h HIS 748 CO 0.03 0.48 0.15 1.96 -1.30 0.00 0.00 177.93 179.24 2qoe h GLN 749 N 0.50 1.07 -0.07 5.26 4.20 -1.35 -2.89 115.11 121.82 2qoe h GLN 749 Ca 0.14 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 2qoe h GLN 749 Cb 0.12 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 2qoe h GLN 749 CO -0.02 0.95 -0.02 1.25 -0.67 0.00 0.00 178.83 180.33 2qoe h HIS 750 N 1.01 0.16 -0.36 2.96 2.76 -0.99 -1.87 115.15 118.81 2qoe h HIS 750 Ca 0.21 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.37 2qoe h HIS 750 Cb 0.37 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.26 2qoe h HIS 750 CO 0.03 0.46 0.18 0.97 -1.30 0.00 0.00 177.93 178.27 2qoe h ILE 751 N -0.19 0.99 -0.07 6.26 2.10 -0.76 -0.92 117.51 124.91 2qoe h ILE 751 Ca 0.02 -0.13 -0.12 0.00 1.08 0.00 0.00 64.86 65.71 2qoe h ILE 751 Cb 0.41 0.58 -0.01 0.00 -1.09 0.00 0.00 36.82 36.70 2qoe h ILE 751 CO 0.01 0.07 -0.48 1.88 -1.08 0.00 0.00 178.15 178.54 2qoe h TYR 752 N 0.38 0.20 -0.12 2.19 0.05 -1.54 -1.22 116.97 116.91 2qoe h TYR 752 Ca 0.15 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.86 2qoe h TYR 752 Cb 0.06 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 2qoe h TYR 752 CO -0.10 0.62 0.06 1.15 -1.05 0.00 0.00 178.16 178.84 2qoe h THR 753 N 0.14 1.12 -0.68 -2.88 2.02 -1.11 -1.54 112.91 109.98 2qoe h THR 753 Ca 0.01 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 2qoe h THR 753 Cb 0.90 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 2qoe h THR 753 CO 0.07 0.11 0.24 -0.74 0.37 0.00 0.00 175.52 175.57 2qoe h HIS 754 N 0.07 1.07 -0.24 3.16 -0.00 -0.89 -2.17 115.15 116.16 2qoe h HIS 754 Ca 0.04 -0.10 -0.14 0.00 -0.00 0.00 0.00 60.37 60.18 2qoe h HIS 754 Cb 0.12 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.21 2qoe h HIS 754 CO -0.03 0.85 -0.42 0.52 -0.00 0.00 0.00 177.93 178.86 2qoe h MET 755 N 0.99 0.57 -0.11 5.26 2.07 -1.25 -2.25 114.93 120.21 2qoe h MET 755 Ca 0.22 -0.30 -0.00 0.00 -2.07 0.00 0.00 59.70 57.56 2qoe h MET 755 Cb 0.26 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.99 2qoe h MET 755 CO -0.01 0.89 0.06 0.77 1.07 0.00 0.00 176.91 179.68 2qoe h SER 756 N 0.47 0.13 -0.62 1.22 0.02 -0.96 -0.52 113.55 113.29 2qoe h SER 756 Ca 0.04 -0.07 0.06 0.00 -0.84 0.00 0.00 61.79 60.99 2qoe h SER 756 Cb 0.92 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.37 2qoe h SER 756 CO 0.08 0.16 0.32 0.45 -1.14 0.00 0.00 176.83 176.70 2qoe h HIS 757 N 0.09 0.57 -0.03 3.45 3.86 -1.34 -0.92 115.15 120.84 2qoe h HIS 757 Ca 0.04 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2qoe h HIS 757 Cb 0.06 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.36 2qoe h HIS 757 CO -0.05 0.25 0.01 0.35 0.86 0.00 0.00 177.93 179.35 2qoe h PHE 758 N 0.58 0.02 -0.32 2.45 3.57 -1.11 -0.11 116.94 122.02 2qoe h PHE 758 Ca 0.28 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 2qoe h PHE 758 Cb 0.22 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 2qoe h PHE 758 CO -0.10 0.01 0.14 0.82 -2.23 0.00 0.00 178.31 176.95 2qoe h ILE 759 N 0.03 1.17 -0.46 1.41 1.08 -0.95 -0.78 117.51 119.00 2qoe h ILE 759 Ca 0.01 -0.50 -0.02 0.00 -0.39 0.00 0.00 64.86 63.96 2qoe h ILE 759 Cb 0.00 0.92 -0.02 0.00 -3.07 0.00 0.00 36.82 34.65 2qoe h ILE 759 CO -0.01 0.18 0.22 0.11 -0.69 0.00 0.00 178.15 177.96 2qoe h LYS 760 N 0.37 0.67 -0.10 2.37 1.57 -1.05 -0.78 116.57 119.62 2qoe h LYS 760 Ca 0.11 -0.10 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 2qoe h LYS 760 Cb 0.15 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 2qoe h LYS 760 CO -0.01 0.57 -0.21 0.37 -0.57 0.00 0.00 179.45 179.60 2qoe h GLN 761 N 0.60 -0.27 -1.01 3.15 -0.00 -0.96 0.19 115.11 116.82 2qoe h GLN 761 Ca 0.16 0.02 0.12 0.00 -0.00 0.00 0.00 58.65 58.94 2qoe h GLN 761 Cb 0.13 0.06 -0.08 0.00 0.00 0.00 0.00 27.48 27.58 2qoe h GLN 761 CO -0.02 -0.18 0.63 0.00 0.00 0.00 0.00 178.83 179.26 2qoe n PHE 763 N -4.61 0.28 -3.49 0.00 3.72 -0.33 -4.95 117.46 108.08 2qoe n PHE 763 Ca 0.19 -0.14 -0.24 0.00 -0.05 0.00 0.00 57.45 57.21 2qoe n PHE 763 Cb 0.35 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.96 2qoe n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2qoe n SER 764 N 0.66 -6.36 -4.81 4.37 7.64 -0.41 -5.00 113.62 109.71 2qoe n SER 764 Ca 0.17 -0.49 -0.36 0.00 1.01 0.00 0.00 58.87 59.20 2qoe n SER 764 Cb 0.41 -5.03 -0.07 0.00 -1.01 0.00 0.00 64.21 58.51 2qoe n SER 764 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qoe s LEU 765 N -7.20 4.29 0.00 -3.43 1.43 0.55 -5.03 118.68 109.28 2qoe s LEU 765 Ca 0.54 0.35 0.31 0.00 -1.03 0.00 0.00 54.13 54.30 2qoe s LEU 765 Cb -0.24 -2.07 1.75 0.00 0.03 0.00 0.00 46.19 45.67 2qoe s LEU 765 CO 0.66 0.30 2.14 -0.81 0.23 0.00 0.00 176.35 178.88