#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwh n ARG 40 N 0.00 0.00 -0.94 1.43 3.00 -1.26 -3.41 116.66 115.48 3kwh n ARG 40 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.85 57.51 3kwh n ARG 40 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 32.46 32.59 3kwh n ARG 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3kwh n LYS 41 N 0.00 -0.08 -4.22 5.56 4.81 -1.26 -4.69 118.16 118.28 3kwh n LYS 41 Ca 0.00 0.04 -0.25 0.00 -0.87 0.00 0.00 58.31 57.23 3kwh n LYS 41 Cb 0.00 -2.22 -0.07 0.00 0.02 0.00 0.00 35.03 32.76 3kwh n LYS 41 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3kwh s THR 42 N -2.29 3.74 -0.40 3.15 2.01 -1.26 -0.72 115.64 119.86 3kwh s THR 42 Ca 0.67 -1.55 -0.29 0.00 0.31 0.00 0.00 61.69 60.83 3kwh s THR 42 Cb -0.26 -2.93 0.01 0.00 0.01 0.00 0.00 72.50 69.33 3kwh s THR 42 CO 0.57 -0.21 1.34 -0.47 -0.69 0.00 0.00 174.62 175.16 3kwh s TYR 43 N -1.94 2.54 0.14 4.92 5.04 -1.26 -4.89 117.35 121.89 3kwh s TYR 43 Ca 0.29 0.72 0.03 0.00 -2.44 0.00 0.00 57.07 55.68 3kwh s TYR 43 Cb -0.08 -4.25 -0.04 0.00 0.35 0.00 0.00 41.96 37.94 3kwh s TYR 43 CO 0.20 -1.78 0.19 0.99 -1.34 0.00 0.00 175.55 173.81 3kwh s THR 44 N 5.03 4.91 0.27 4.34 2.01 -1.26 -3.84 115.64 127.10 3kwh s THR 44 Ca 0.58 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.76 3kwh s THR 44 Cb -0.13 -3.49 0.26 0.00 0.01 0.00 0.00 72.50 69.15 3kwh s THR 44 CO 0.30 -0.05 1.72 0.25 -0.69 0.00 0.00 174.62 176.15 3kwh h LEU 45 N 2.48 0.33 -0.97 4.42 5.85 -1.94 0.22 115.31 125.70 3kwh h LEU 45 Ca -0.48 0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 3kwh h LEU 45 Cb 1.19 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 3kwh h LEU 45 CO 0.67 0.06 -0.02 0.74 -0.34 0.00 0.00 178.44 179.56 3kwh h THR 46 N 0.44 1.24 -0.32 1.05 2.02 -1.96 -0.48 112.91 114.89 3kwh h THR 46 Ca 0.49 -0.98 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 3kwh h THR 46 Cb 0.85 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 3kwh h THR 46 CO -0.47 0.34 0.20 0.44 0.37 0.00 0.00 175.52 176.41 3kwh h ASP 47 N 0.68 0.38 0.16 4.18 3.32 -1.03 1.19 116.42 125.30 3kwh h ASP 47 Ca 0.13 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3kwh h ASP 47 Cb 0.44 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3kwh h ASP 47 CO 0.02 0.31 -0.13 0.22 -1.72 0.00 0.00 179.24 177.94 3kwh h TYR 48 N 0.43 -0.33 0.00 4.55 3.20 -0.74 0.13 116.97 124.21 3kwh h TYR 48 Ca 0.12 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 3kwh h TYR 48 Cb -0.01 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 3kwh h TYR 48 CO -0.05 -0.20 -0.34 -0.07 -1.64 0.00 0.00 178.16 175.87 3kwh h LEU 49 N -0.30 0.00 -0.91 2.82 4.07 -0.58 -3.09 115.31 117.32 3kwh h LEU 49 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3kwh h LEU 49 Cb 0.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.01 3kwh h LEU 49 CO -0.01 0.34 -0.21 0.29 -1.08 0.00 0.00 178.44 177.76 3kwh n LYS 50 N -3.64 1.75 -3.24 1.13 4.76 0.40 -4.98 118.16 114.34 3kwh n LYS 50 Ca -0.01 -0.78 -0.11 0.00 -2.87 0.00 0.00 58.31 54.55 3kwh n LYS 50 Cb 0.45 -1.17 0.03 0.00 -1.84 0.00 0.00 35.03 32.51 3kwh n LYS 50 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kwh n ASN 51 N -0.05 -6.93 0.10 4.39 3.02 0.44 -4.91 115.26 111.31 3kwh n ASN 51 Ca 0.05 -0.47 -0.03 0.00 -0.03 0.00 0.00 54.58 54.10 3kwh n ASN 51 Cb 0.27 -4.87 0.17 0.00 -0.61 0.00 0.00 39.78 34.75 3kwh n ASN 51 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3kwh h THR 52 N -0.43 1.37 -3.48 3.41 2.02 -1.79 -3.40 112.91 110.61 3kwh h THR 52 Ca -0.34 -1.83 -0.65 0.00 0.77 0.00 0.00 66.41 64.36 3kwh h THR 52 Cb 1.18 1.91 -0.41 0.00 -1.74 0.00 0.00 68.15 69.10 3kwh h THR 52 CO 0.38 0.54 -0.65 -0.31 0.37 0.00 0.00 175.52 175.84 3kwh s TYR 53 N -3.87 3.37 0.05 3.16 2.02 -1.26 -5.10 117.35 115.71 3kwh s TYR 53 Ca -0.04 -3.11 -0.22 0.00 -0.37 0.00 0.00 57.07 53.34 3kwh s TYR 53 Cb 0.13 -2.87 -0.06 0.00 -0.40 0.00 0.00 41.96 38.76 3kwh s TYR 53 CO 0.78 -0.81 0.64 1.03 -1.57 0.00 0.00 175.55 175.62 3kwh s ARG 54 N 0.08 4.35 -0.11 -0.62 0.52 -1.26 -5.05 118.95 116.85 3kwh s ARG 54 Ca 0.15 0.85 -0.28 0.00 -0.52 0.00 0.00 55.73 55.93 3kwh s ARG 54 Cb -0.24 -3.30 -0.01 0.00 0.52 0.00 0.00 34.95 31.92 3kwh s ARG 54 CO -0.03 0.47 0.95 -0.51 0.02 0.00 0.00 175.30 176.20 3kwh s LEU 55 N -0.58 4.24 0.47 2.53 1.43 -1.26 -4.77 118.68 120.73 3kwh s LEU 55 Ca 0.32 1.44 -0.19 0.00 -1.03 0.00 0.00 54.13 54.67 3kwh s LEU 55 Cb -0.20 -3.46 -0.09 0.00 0.03 0.00 0.00 46.19 42.47 3kwh s LEU 55 CO 0.20 -0.41 0.97 -0.54 0.23 0.00 0.00 176.35 176.79 3kwh s LYS 56 N 1.94 4.09 0.41 1.70 1.02 -1.26 -5.07 119.74 122.57 3kwh s LYS 56 Ca 0.46 1.04 0.04 0.00 0.02 0.00 0.00 55.97 57.53 3kwh s LYS 56 Cb -0.18 -2.16 -0.05 0.00 -0.52 0.00 0.00 37.83 34.92 3kwh s LYS 56 CO 0.17 -0.14 0.04 -0.51 -0.92 0.00 0.00 175.35 173.98 3kwh s LEU 57 N -3.61 2.42 -0.40 3.17 1.43 -1.26 -4.92 118.68 115.51 3kwh s LEU 57 Ca 0.60 -1.48 0.08 0.00 -1.03 0.00 0.00 54.13 52.30 3kwh s LEU 57 Cb -0.09 -0.60 0.25 0.00 0.03 0.00 0.00 46.19 45.77 3kwh s LEU 57 CO 0.22 -0.66 0.54 0.00 0.23 0.00 0.00 176.35 176.68 3kwh n TYR 58 N -0.95 -0.57 -2.74 0.29 4.19 -1.26 -4.95 117.16 111.17 3kwh n TYR 58 Ca -0.08 -3.44 -0.43 0.00 3.31 0.00 0.00 57.90 57.27 3kwh n TYR 58 Cb 0.67 -0.22 -0.03 0.00 0.49 0.00 0.00 39.34 40.25 3kwh n TYR 58 CO 0.00 0.00 0.00 -1.12 0.91 0.00 0.00 176.86 176.65 3kwh s SER 59 N -1.20 6.80 0.24 2.98 0.01 -1.26 -5.01 113.70 116.26 3kwh s SER 59 Ca 0.35 0.81 0.11 0.00 1.31 0.00 0.00 55.95 58.53 3kwh s SER 59 Cb 0.17 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.86 3kwh s SER 59 CO -0.12 -0.85 -0.21 -1.48 0.41 0.00 0.00 173.24 171.00 3kwh s LEU 60 N 3.52 2.53 -0.23 2.44 2.34 -1.26 -4.57 118.68 123.46 3kwh s LEU 60 Ca 0.41 -0.97 0.01 0.00 0.06 0.00 0.00 54.13 53.64 3kwh s LEU 60 Cb -0.12 -1.07 0.05 0.00 -0.56 0.00 0.00 46.19 44.49 3kwh s LEU 60 CO 0.17 0.04 -0.08 -0.13 -1.06 0.00 0.00 176.35 175.29 3kwh s ARG 61 N -3.23 1.85 0.44 1.48 0.52 -0.77 -4.99 118.95 114.25 3kwh s ARG 61 Ca 0.26 -0.99 -0.25 0.00 -0.52 0.00 0.00 55.73 54.23 3kwh s ARG 61 Cb -0.06 -2.57 -0.08 0.00 0.52 0.00 0.00 34.95 32.76 3kwh s ARG 61 CO 0.12 -0.54 1.25 -1.58 0.02 0.00 0.00 175.30 174.58 3kwh s TRP 62 N 1.35 2.81 0.00 -0.53 0.52 -1.26 -1.02 118.94 120.82 3kwh s TRP 62 Ca -0.05 1.47 0.00 0.00 0.02 0.00 0.00 56.10 57.54 3kwh s TRP 62 Cb -0.18 -3.56 0.00 0.00 -1.15 0.00 0.00 33.47 28.58 3kwh s TRP 62 CO -0.07 -1.89 0.16 0.44 0.02 0.00 0.00 176.95 175.61 3kwh n ILE 63 N -0.19 0.00 -3.44 2.03 -5.35 -1.03 -4.88 119.36 106.51 3kwh n ILE 63 Ca 0.06 -0.26 -0.01 0.00 -0.27 0.00 0.00 62.75 62.27 3kwh n ILE 63 Cb 0.45 1.30 0.01 0.00 -1.74 0.00 0.00 39.64 39.66 3kwh n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3kwh n SER 64 N -0.20 -0.47 0.04 7.28 3.41 -1.22 -4.97 113.62 117.49 3kwh n SER 64 Ca 0.00 -1.27 0.09 0.00 -0.26 0.00 0.00 58.87 57.42 3kwh n SER 64 Cb 0.07 0.77 0.38 0.00 -0.26 0.00 0.00 64.21 65.17 3kwh n SER 64 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kwh n ASP 65 N -0.87 0.20 -0.29 4.04 5.75 -1.26 -3.29 116.55 120.83 3kwh n ASP 65 Ca -0.01 0.55 0.00 0.00 -0.01 0.00 0.00 54.79 55.32 3kwh n ASP 65 Cb 0.14 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.64 3kwh n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kwh n HIS 66 N -1.72 0.00 -4.13 2.11 1.44 -1.26 -4.43 115.22 107.23 3kwh n HIS 66 Ca 0.03 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.61 3kwh n HIS 66 Cb 0.20 0.09 -0.11 0.00 0.12 0.00 0.00 29.99 30.29 3kwh n HIS 66 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3kwh s GLU 67 N 0.00 0.71 0.06 -1.40 2.02 -1.26 -1.51 118.70 117.32 3kwh s GLU 67 Ca 0.00 -0.99 -0.00 0.00 0.02 0.00 0.00 54.97 54.00 3kwh s GLU 67 Cb 0.00 -0.42 -0.04 0.00 0.10 0.00 0.00 34.13 33.77 3kwh s GLU 67 CO 0.00 0.07 -0.04 1.52 0.02 0.00 0.00 175.26 176.83 3kwh s TYR 68 N -2.02 0.57 0.10 1.61 -0.85 -0.77 -2.46 117.35 113.54 3kwh s TYR 68 Ca -0.01 -0.92 0.03 0.00 -0.52 0.00 0.00 57.07 55.65 3kwh s TYR 68 Cb -0.06 -0.39 -0.04 0.00 0.38 0.00 0.00 41.96 41.86 3kwh s TYR 68 CO -0.00 -0.28 0.15 -0.51 -1.52 0.00 0.00 175.55 173.38 3kwh s LEU 69 N -2.64 4.00 -0.13 -3.49 1.43 -0.19 0.48 118.68 118.14 3kwh s LEU 69 Ca 0.03 0.05 -0.07 0.00 -1.03 0.00 0.00 54.13 53.12 3kwh s LEU 69 Cb 0.03 -2.63 0.05 0.00 0.03 0.00 0.00 46.19 43.67 3kwh s LEU 69 CO -0.07 0.14 0.32 -0.47 0.23 0.00 0.00 176.35 176.49 3kwh s TYR 70 N -1.54 -0.45 -0.51 0.29 5.04 0.16 -1.84 117.35 118.50 3kwh s TYR 70 Ca 0.32 1.01 -0.18 0.00 -2.44 0.00 0.00 57.07 55.77 3kwh s TYR 70 Cb -0.12 0.14 0.07 0.00 0.35 0.00 0.00 41.96 42.40 3kwh s TYR 70 CO 0.25 -0.28 0.57 -1.59 -1.34 0.00 0.00 175.55 173.15 3kwh s LYS 71 N 1.35 3.06 -0.26 4.97 -2.85 -1.26 0.20 119.74 124.96 3kwh s LYS 71 Ca -0.09 -1.12 -0.10 0.00 -1.00 0.00 0.00 55.97 53.65 3kwh s LYS 71 Cb -0.10 -4.14 -0.05 0.00 -2.06 0.00 0.00 37.83 31.49 3kwh s LYS 71 CO -0.10 -1.22 0.15 -1.14 0.10 0.00 0.00 175.35 173.14 3kwh s GLN 72 N 2.31 3.92 7.12 1.78 0.74 -0.46 -4.85 119.66 130.23 3kwh s GLN 72 Ca 0.11 -0.34 0.00 0.00 0.05 0.00 0.00 55.36 55.18 3kwh s GLN 72 Cb -0.22 -3.53 0.00 0.00 1.10 0.00 0.00 33.01 30.36 3kwh s GLN 72 CO 0.09 -0.09 0.00 0.39 -0.55 0.00 0.00 175.29 175.13 3kwh n GLU 73 N 4.73 0.00 -0.01 1.67 1.02 -1.26 -1.23 120.64 125.55 3kwh n GLU 73 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 3kwh n GLU 73 Cb 0.52 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.94 3kwh n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3kwh n ASN 74 N 9.91 1.30 -4.76 1.62 4.13 -1.26 -5.03 115.26 121.17 3kwh n ASN 74 Ca 0.00 -1.70 -0.40 0.00 1.68 0.00 0.00 54.58 54.16 3kwh n ASN 74 Cb 0.00 -0.02 -0.06 0.00 -1.54 0.00 0.00 39.78 38.16 3kwh n ASN 74 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 3kwh s ASN 75 N -0.73 7.47 -0.13 6.41 0.01 -0.36 -4.20 114.94 123.40 3kwh s ASN 75 Ca 0.01 1.75 -0.17 0.00 -0.71 0.00 0.00 52.86 53.74 3kwh s ASN 75 Cb 0.01 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 3kwh s ASN 75 CO 0.00 0.13 0.44 -0.63 -1.51 0.00 0.00 177.10 175.53 3kwh s ILE 76 N -0.85 5.21 0.00 0.60 1.01 -0.27 -1.35 121.20 125.56 3kwh s ILE 76 Ca 0.40 0.86 0.06 0.00 0.00 0.00 0.00 60.65 61.97 3kwh s ILE 76 Cb -0.24 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 3kwh s ILE 76 CO 0.28 0.33 -0.19 -0.76 0.00 0.00 0.00 174.94 174.60 3kwh s LEU 77 N 0.64 2.50 -0.07 2.97 1.43 0.13 -1.05 118.68 125.22 3kwh s LEU 77 Ca 0.24 -0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 52.95 3kwh s LEU 77 Cb -0.15 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 3kwh s LEU 77 CO 0.09 0.29 -0.05 0.54 0.23 0.00 0.00 176.35 177.46 3kwh s VAL 78 N -0.80 3.91 0.11 -1.59 0.11 -0.75 0.35 120.40 121.75 3kwh s VAL 78 Ca 0.13 -0.40 0.09 0.00 -2.93 0.00 0.00 61.98 58.87 3kwh s VAL 78 Cb -0.10 -2.61 -0.04 0.00 -1.53 0.00 0.00 36.38 32.10 3kwh s VAL 78 CO 0.02 0.60 -0.23 -0.36 -3.33 0.00 0.00 175.10 171.80 3kwh s PHE 79 N -0.83 1.99 -0.30 1.54 0.40 0.18 -2.15 117.98 118.81 3kwh s PHE 79 Ca 0.13 -0.40 -0.10 0.00 -0.60 0.00 0.00 56.93 55.95 3kwh s PHE 79 Cb -0.11 -1.09 -0.03 0.00 0.51 0.00 0.00 43.02 42.30 3kwh s PHE 79 CO 0.02 0.25 0.17 1.21 0.70 0.00 0.00 175.22 177.57 3kwh s ASN 80 N -1.93 5.74 0.24 1.36 3.84 -0.94 -1.84 114.94 121.40 3kwh s ASN 80 Ca 0.09 -0.29 -0.02 0.00 0.21 0.00 0.00 52.86 52.86 3kwh s ASN 80 Cb -0.10 -2.06 0.26 0.00 -0.55 0.00 0.00 41.25 38.80 3kwh s ASN 80 CO 0.05 -0.13 1.66 0.00 -2.79 0.00 0.00 177.10 175.89 3kwh h ALA 81 N 8.37 0.95 0.04 1.71 0.00 -1.60 0.64 119.26 129.36 3kwh h ALA 81 Ca -0.34 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 3kwh h ALA 81 Cb 1.17 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3kwh h ALA 81 CO 0.59 0.61 -0.02 1.49 0.00 0.00 0.00 179.25 181.92 3kwh h GLU 82 N 0.60 -0.05 0.00 0.00 4.57 -1.95 -3.36 114.58 114.38 3kwh h GLU 82 Ca 0.08 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 58.00 3kwh h GLU 82 Cb 0.71 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.26 3kwh h GLU 82 CO 0.05 0.36 -2.27 0.66 -1.18 0.00 0.00 179.01 176.63 3kwh n TYR 83 N -4.91 0.00 -0.70 0.92 4.01 -1.23 -5.00 117.16 110.25 3kwh n TYR 83 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 3kwh n TYR 83 Cb 0.23 -0.86 0.00 0.00 -0.31 0.00 0.00 39.34 38.40 3kwh n TYR 83 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kwh n GLY 84 N 1.64 0.76 3.61 2.72 0.00 0.22 -5.04 105.19 109.10 3kwh n GLY 84 Ca -0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 3kwh n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kwh s ASN 85 N -2.56 1.67 0.03 1.61 4.22 -1.26 -4.74 114.94 113.92 3kwh s ASN 85 Ca 0.00 1.01 -0.27 0.00 -2.14 0.00 0.00 52.86 51.46 3kwh s ASN 85 Cb 0.00 -1.55 0.09 0.00 1.28 0.00 0.00 41.25 41.08 3kwh s ASN 85 CO 0.00 -3.70 0.83 -0.94 -2.04 0.00 0.00 177.10 171.25 3kwh s SER 86 N -3.48 -0.40 0.26 3.54 1.04 -1.26 -2.22 113.70 111.18 3kwh s SER 86 Ca 0.68 -0.02 0.02 0.00 0.48 0.00 0.00 55.95 57.10 3kwh s SER 86 Cb -0.16 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 3kwh s SER 86 CO 0.58 -0.70 0.30 -1.54 0.98 0.00 0.00 173.24 172.86 3kwh n SER 87 N -0.28 -0.82 -4.47 7.02 3.41 -0.91 -5.01 113.62 112.55 3kwh n SER 87 Ca -0.10 -2.53 -0.40 0.00 -0.26 0.00 0.00 58.87 55.58 3kwh n SER 87 Cb 0.62 1.65 -0.11 0.00 -0.26 0.00 0.00 64.21 66.11 3kwh n SER 87 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3kwh s VAL 88 N -2.85 4.90 -0.08 -3.33 0.11 -1.26 -1.80 120.40 116.09 3kwh s VAL 88 Ca 0.25 -0.38 -0.22 0.00 -2.93 0.00 0.00 61.98 58.71 3kwh s VAL 88 Cb 0.00 -3.53 -0.18 0.00 -1.53 0.00 0.00 36.38 31.14 3kwh s VAL 88 CO 0.18 0.00 0.80 0.15 -3.33 0.00 0.00 175.10 172.90 3kwh h PHE 89 N 8.42 -0.08 -3.33 1.54 3.57 -1.41 -3.44 116.94 122.22 3kwh h PHE 89 Ca -0.31 -0.00 -0.55 0.00 3.53 0.00 0.00 57.97 60.63 3kwh h PHE 89 Cb 1.15 0.03 -0.38 0.00 2.79 0.00 0.00 35.95 39.54 3kwh h PHE 89 CO 0.64 0.51 -0.79 -1.17 -2.23 0.00 0.00 178.31 175.27 3kwh s LEU 90 N -8.71 1.60 0.29 0.59 0.20 -0.93 -5.01 118.68 106.71 3kwh s LEU 90 Ca -0.14 -0.66 -0.29 0.00 0.69 0.00 0.00 54.13 53.73 3kwh s LEU 90 Cb -0.01 -0.91 -0.10 0.00 -0.43 0.00 0.00 46.19 44.75 3kwh s LEU 90 CO 0.52 -0.18 1.28 -1.61 -0.29 0.00 0.00 176.35 176.07 3kwh s GLU 91 N 1.64 4.40 0.64 1.98 2.02 -1.26 -1.12 118.70 127.01 3kwh s GLU 91 Ca 0.01 2.12 0.30 0.00 0.02 0.00 0.00 54.97 57.42 3kwh s GLU 91 Cb -0.15 -3.12 1.63 0.00 0.10 0.00 0.00 34.13 32.59 3kwh s GLU 91 CO -0.08 -0.15 1.95 -2.95 0.02 0.00 0.00 175.26 174.05 3kwh h ASN 92 N 3.98 0.00 1.55 -0.19 7.08 -1.93 -1.89 115.58 124.19 3kwh h ASN 92 Ca -0.47 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 52.74 3kwh h ASN 92 Cb 1.22 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.46 3kwh h ASN 92 CO 0.69 0.00 -0.45 0.77 -2.08 0.00 0.00 177.43 176.36 3kwh h SER 93 N 0.00 0.00 -0.96 6.14 4.64 -1.91 -3.41 113.55 118.05 3kwh h SER 93 Ca 0.05 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.58 3kwh h SER 93 Cb 0.73 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.64 3kwh h SER 93 CO -0.00 0.03 -0.20 0.41 -0.87 0.00 0.00 176.83 176.20 3kwh n THR 94 N -2.93 -0.40 -1.47 2.95 -1.04 -0.71 -1.59 114.28 109.08 3kwh n THR 94 Ca 0.02 2.19 -0.30 0.00 -2.04 0.00 0.00 64.05 63.92 3kwh n THR 94 Cb 0.55 -3.06 0.08 0.00 -1.82 0.00 0.00 70.33 66.09 3kwh n THR 94 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3kwh n PHE 95 N -5.55 2.99 -0.15 -1.42 3.72 -1.26 -4.64 117.46 111.15 3kwh n PHE 95 Ca 0.17 -2.66 -0.01 0.00 -0.05 0.00 0.00 57.45 54.89 3kwh n PHE 95 Cb 0.52 -1.12 0.24 0.00 -0.94 0.00 0.00 39.48 38.18 3kwh n PHE 95 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3kwh h ASP 96 N 1.88 0.77 -0.67 4.37 3.32 -1.59 -2.43 116.42 122.07 3kwh h ASP 96 Ca 0.54 -0.08 -0.21 0.00 0.02 0.00 0.00 57.03 57.30 3kwh h ASP 96 Cb 1.22 -0.20 -0.13 0.00 0.22 0.00 0.00 39.33 40.45 3kwh h ASP 96 CO 1.30 0.66 0.27 -0.62 -1.72 0.00 0.00 179.24 179.13 3kwh n GLU 97 N -4.35 3.33 0.08 3.56 1.02 -1.26 -4.38 120.64 118.64 3kwh n GLU 97 Ca 0.05 -2.69 -0.07 0.00 -0.02 0.00 0.00 57.16 54.44 3kwh n GLU 97 Cb 0.13 -2.10 0.06 0.00 -0.02 0.00 0.00 31.44 29.51 3kwh n GLU 97 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3kwh h PHE 98 N 2.26 0.31 0.00 -0.32 3.57 -1.78 -3.47 116.94 117.51 3kwh h PHE 98 Ca 0.26 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3kwh h PHE 98 Cb 2.19 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.89 3kwh h PHE 98 CO 1.16 0.88 0.00 0.41 -2.23 0.00 0.00 178.31 178.53 3kwh n GLY 99 N 0.55 3.13 3.41 2.40 0.00 -1.26 -5.00 105.19 108.43 3kwh n GLY 99 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3kwh n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kwh s HIS 100 N -1.89 2.53 -0.05 1.61 3.76 -1.26 -5.09 115.29 114.90 3kwh s HIS 100 Ca 0.00 -0.28 -0.30 0.00 -0.15 0.00 0.00 55.06 54.33 3kwh s HIS 100 Cb 0.00 -1.54 -0.04 0.00 1.11 0.00 0.00 32.58 32.11 3kwh s HIS 100 CO 0.00 0.12 1.34 0.45 -0.85 0.00 0.00 174.74 175.80 3kwh s SER 101 N -0.85 6.91 -0.09 1.40 0.15 -1.26 -4.97 113.70 114.98 3kwh s SER 101 Ca 0.12 1.95 -0.26 0.00 0.70 0.00 0.00 55.95 58.46 3kwh s SER 101 Cb -0.10 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.63 3kwh s SER 101 CO 0.01 -0.71 0.84 -0.63 1.20 0.00 0.00 173.24 173.95 3kwh s ILE 102 N 2.72 4.92 -0.10 6.45 1.01 -1.26 -4.50 121.20 130.44 3kwh s ILE 102 Ca 0.61 1.72 -0.16 0.00 0.00 0.00 0.00 60.65 62.82 3kwh s ILE 102 Cb -0.28 -4.17 -0.27 0.00 0.01 0.00 0.00 42.46 37.75 3kwh s ILE 102 CO 0.23 0.13 0.56 -1.13 0.00 0.00 0.00 174.94 174.73 3kwh h ASN 103 N 6.99 0.38 -5.01 3.58 -0.73 0.09 -3.49 115.58 117.39 3kwh h ASN 103 Ca -0.36 -0.86 -0.00 0.00 1.87 0.00 0.00 56.30 56.95 3kwh h ASN 103 Cb 1.18 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.63 3kwh h ASN 103 CO 0.79 1.62 0.26 -0.62 -0.37 0.00 0.00 177.43 179.10 3kwh s ASP 104 N -7.03 -0.03 0.04 1.15 -1.08 -1.06 -4.98 116.67 103.67 3kwh s ASP 104 Ca -0.20 -1.04 -0.09 0.00 -0.52 0.00 0.00 52.55 50.70 3kwh s ASP 104 Cb 0.04 0.82 0.00 0.00 -1.46 0.00 0.00 42.92 42.33 3kwh s ASP 104 CO 0.77 -1.61 0.18 -0.72 0.52 0.00 0.00 175.17 174.30 3kwh s TYR 105 N -2.65 0.08 -0.05 -5.34 -0.85 -1.26 0.23 117.35 107.50 3kwh s TYR 105 Ca 0.15 -0.30 -0.02 0.00 -0.52 0.00 0.00 57.07 56.37 3kwh s TYR 105 Cb -0.05 -0.05 0.04 0.00 0.38 0.00 0.00 41.96 42.28 3kwh s TYR 105 CO 0.11 -0.42 0.09 0.45 -1.52 0.00 0.00 175.55 174.26 3kwh s SER 106 N -2.08 0.42 -0.19 -0.18 0.15 -0.01 -4.95 113.70 106.87 3kwh s SER 106 Ca -0.05 0.18 -0.15 0.00 0.70 0.00 0.00 55.95 56.62 3kwh s SER 106 Cb -0.01 0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.31 3kwh s SER 106 CO -0.04 -0.19 0.36 -0.63 1.20 0.00 0.00 173.24 173.95 3kwh s ILE 107 N 1.62 5.24 0.45 6.45 1.01 -1.26 0.18 121.20 134.88 3kwh s ILE 107 Ca -0.03 0.65 -0.22 0.00 0.00 0.00 0.00 60.65 61.04 3kwh s ILE 107 Cb -0.12 -3.70 -0.11 0.00 0.01 0.00 0.00 42.46 38.54 3kwh s ILE 107 CO -0.04 0.30 0.72 -1.54 0.00 0.00 0.00 174.94 174.38 3kwh n SER 108 N 4.18 -0.08 0.28 3.58 3.41 -0.46 -4.87 113.62 119.66 3kwh n SER 108 Ca -0.10 0.93 0.17 0.00 -0.26 0.00 0.00 58.87 59.61 3kwh n SER 108 Cb 0.51 -1.22 0.78 0.00 -0.26 0.00 0.00 64.21 64.03 3kwh n SER 108 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3kwh h PRO 109 N 0.96 0.00 -0.65 4.33 0.11 -1.81 -1.59 132.00 133.35 3kwh h PRO 109 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3kwh h PRO 109 Cb 1.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.49 3kwh h PRO 109 CO 0.53 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 3kwh n ASP 110 N -3.19 3.50 -0.65 -2.05 5.68 -1.01 -4.72 116.55 114.11 3kwh n ASP 110 Ca -0.01 -2.02 -0.08 0.00 -0.50 0.00 0.00 54.79 52.18 3kwh n ASP 110 Cb 0.26 -0.44 -0.04 0.00 -1.14 0.00 0.00 41.12 39.77 3kwh n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kwh n GLY 111 N 1.51 0.95 0.08 6.12 0.00 -0.60 -4.87 105.19 108.38 3kwh n GLY 111 Ca 0.22 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3kwh n GLY 111 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kwh h GLN 112 N 0.13 0.00 -4.27 1.61 4.20 -1.91 -3.47 115.11 111.40 3kwh h GLN 112 Ca -0.17 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.39 3kwh h GLN 112 Cb 0.82 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.45 3kwh h GLN 112 CO 0.25 0.44 -0.63 -0.06 -0.67 0.00 0.00 178.83 178.16 3kwh s PHE 113 N -2.70 0.63 -0.01 2.96 0.08 -1.26 -1.35 117.98 116.34 3kwh s PHE 113 Ca -0.04 -1.09 0.02 0.00 0.12 0.00 0.00 56.93 55.94 3kwh s PHE 113 Cb 0.08 -0.39 -0.00 0.00 -0.57 0.00 0.00 43.02 42.14 3kwh s PHE 113 CO 0.82 -0.46 -0.08 -1.50 -0.10 0.00 0.00 175.22 173.90 3kwh s ILE 114 N -3.97 0.65 -0.15 0.64 2.07 -0.56 -1.35 121.20 118.53 3kwh s ILE 114 Ca 0.14 -0.34 -0.17 0.00 -1.41 0.00 0.00 60.65 58.88 3kwh s ILE 114 Cb 0.07 -0.56 -0.04 0.00 0.13 0.00 0.00 42.46 42.06 3kwh s ILE 114 CO -0.05 0.19 0.45 -0.76 -1.91 0.00 0.00 174.94 172.86 3kwh s LEU 115 N -0.08 4.24 -0.25 8.50 1.43 0.13 -0.66 118.68 131.98 3kwh s LEU 115 Ca 0.02 0.71 -0.07 0.00 -1.03 0.00 0.00 54.13 53.75 3kwh s LEU 115 Cb -0.04 -2.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.52 3kwh s LEU 115 CO -0.00 -0.02 0.07 -0.76 0.23 0.00 0.00 176.35 175.87 3kwh s LEU 116 N 0.85 3.45 -0.25 1.79 1.43 -0.21 -0.83 118.68 124.89 3kwh s LEU 116 Ca 0.23 -0.20 -0.10 0.00 -1.03 0.00 0.00 54.13 53.03 3kwh s LEU 116 Cb -0.15 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 3kwh s LEU 116 CO 0.09 -0.03 0.15 -0.70 0.23 0.00 0.00 176.35 176.09 3kwh s GLU 117 N 1.61 3.95 0.26 1.70 2.12 0.14 -2.18 118.70 126.28 3kwh s GLU 117 Ca 0.06 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.07 3kwh s GLU 117 Cb -0.15 -3.54 -0.03 0.00 0.26 0.00 0.00 34.13 30.67 3kwh s GLU 117 CO 0.04 -0.07 0.23 1.52 -0.54 0.00 0.00 175.26 176.44 3kwh s TYR 118 N 1.40 1.27 -1.37 5.30 1.13 -0.19 0.86 117.35 125.76 3kwh s TYR 118 Ca 0.07 -1.41 -0.08 0.00 -1.41 0.00 0.00 57.07 54.24 3kwh s TYR 118 Cb -0.15 -0.51 0.02 0.00 -1.10 0.00 0.00 41.96 40.23 3kwh s TYR 118 CO 0.07 -0.78 1.09 0.09 -2.51 0.00 0.00 175.55 173.51 3kwh n ASN 119 N -0.76 -5.08 -4.69 -0.18 3.02 -1.26 0.12 115.26 106.43 3kwh n ASN 119 Ca 0.03 -0.62 -0.42 0.00 -0.03 0.00 0.00 54.58 53.54 3kwh n ASN 119 Cb 0.64 -4.77 -0.03 0.00 -0.61 0.00 0.00 39.78 35.01 3kwh n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3kwh s TYR 120 N -3.34 3.05 -0.16 3.10 6.14 -1.26 -4.09 117.35 120.78 3kwh s TYR 120 Ca 0.47 1.06 0.00 0.00 0.64 0.00 0.00 57.07 59.25 3kwh s TYR 120 Cb -0.22 -3.52 0.03 0.00 0.42 0.00 0.00 41.96 38.68 3kwh s TYR 120 CO 0.75 -1.76 -0.12 0.08 0.64 0.00 0.00 175.55 175.15 3kwh s VAL 121 N 2.32 1.52 0.09 3.14 1.01 0.10 -4.97 120.40 123.62 3kwh s VAL 121 Ca 0.59 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 3kwh s VAL 121 Cb -0.27 -1.50 -0.06 0.00 0.00 0.00 0.00 36.38 34.56 3kwh s VAL 121 CO 0.23 0.36 1.08 -0.75 0.00 0.00 0.00 175.10 176.02 3kwh s LYS 122 N 1.49 4.55 0.00 2.72 2.20 -1.26 -0.89 119.74 128.55 3kwh s LYS 122 Ca 0.03 1.63 0.00 0.00 -0.36 0.00 0.00 55.97 57.27 3kwh s LYS 122 Cb -0.14 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 3kwh s LYS 122 CO -0.10 -0.03 0.00 0.94 -0.36 0.00 0.00 175.35 175.80 3kwh n GLN 123 N 3.25 0.00 0.00 4.03 7.27 -0.67 -4.95 117.38 126.32 3kwh n GLN 123 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.12 3kwh n GLN 123 Cb 0.48 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.13 3kwh n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 3kwh n TRP 124 N 0.00 0.00 -0.15 3.69 5.03 -1.22 -4.95 117.44 119.85 3kwh n TRP 124 Ca 0.00 0.00 -0.09 0.00 3.03 0.00 0.00 57.50 60.44 3kwh n TRP 124 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.28 3kwh n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 3kwh h ARG 125 N 0.00 0.62 0.00 -0.99 2.43 -1.99 -3.32 114.38 111.14 3kwh h ARG 125 Ca 0.00 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 3kwh h ARG 125 Cb 0.00 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3kwh h ARG 125 CO 0.00 0.55 -1.29 0.72 -1.51 0.00 0.00 179.97 178.43 3kwh n HIS 126 N -4.66 0.00 -2.40 2.20 8.25 -1.26 -5.04 115.22 112.30 3kwh n HIS 126 Ca 0.01 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 3kwh n HIS 126 Cb 0.12 -0.17 -0.03 0.00 1.12 0.00 0.00 29.99 31.02 3kwh n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3kwh s SER 127 N -2.94 6.59 -0.17 0.41 1.04 -1.25 -4.62 113.70 112.75 3kwh s SER 127 Ca -0.02 1.60 -0.35 0.00 0.48 0.00 0.00 55.95 57.66 3kwh s SER 127 Cb 0.03 -2.51 0.14 0.00 0.10 0.00 0.00 66.02 63.78 3kwh s SER 127 CO 0.24 -0.61 1.26 -0.72 0.98 0.00 0.00 173.24 174.38 3kwh s TYR 128 N -2.58 -0.09 0.31 5.02 -0.85 -1.26 -1.66 117.35 116.24 3kwh s TYR 128 Ca 0.60 0.04 0.09 0.00 -0.52 0.00 0.00 57.07 57.28 3kwh s TYR 128 Cb -0.10 0.52 -0.05 0.00 0.38 0.00 0.00 41.96 42.71 3kwh s TYR 128 CO 0.30 -0.18 -0.01 0.95 -1.52 0.00 0.00 175.55 175.10 3kwh s THR 129 N -2.34 2.88 -0.08 -3.49 -4.23 -0.07 -4.63 115.64 103.67 3kwh s THR 129 Ca 0.11 -1.98 -0.31 0.00 -1.18 0.00 0.00 61.69 58.33 3kwh s THR 129 Cb 0.00 -2.77 0.12 0.00 1.34 0.00 0.00 72.50 71.19 3kwh s THR 129 CO -0.04 -0.27 0.99 0.00 -0.54 0.00 0.00 174.62 174.76 3kwh s ALA 130 N -2.45 -1.91 0.24 3.99 0.00 -0.66 0.01 121.76 120.98 3kwh s ALA 130 Ca 0.34 1.27 -0.05 0.00 0.00 0.00 0.00 51.96 53.51 3kwh s ALA 130 Cb -0.03 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 3kwh s ALA 130 CO 0.19 -0.59 0.50 -1.12 0.00 0.00 0.00 175.76 174.74 3kwh s SER 131 N -2.15 6.47 0.01 0.00 0.01 0.32 -2.46 113.70 115.90 3kwh s SER 131 Ca 0.05 0.68 0.00 0.00 1.31 0.00 0.00 55.95 57.99 3kwh s SER 131 Cb -0.01 -2.13 -0.01 0.00 0.21 0.00 0.00 66.02 64.09 3kwh s SER 131 CO -0.06 -0.11 -0.02 -0.31 0.41 0.00 0.00 173.24 173.15 3kwh s TYR 132 N -1.93 0.15 0.17 2.43 2.02 -1.26 -1.02 117.35 117.91 3kwh s TYR 132 Ca 0.43 -0.16 0.08 0.00 -0.37 0.00 0.00 57.07 57.05 3kwh s TYR 132 Cb -0.11 -0.10 -0.04 0.00 -0.40 0.00 0.00 41.96 41.30 3kwh s TYR 132 CO 0.27 -0.05 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.51 3kwh s ASP 133 N -0.45 2.68 -0.16 2.29 1.01 -0.93 -4.46 116.67 116.66 3kwh s ASP 133 Ca -0.04 -0.87 0.01 0.00 0.71 0.00 0.00 52.55 52.36 3kwh s ASP 133 Cb -0.03 -0.16 0.01 0.00 1.01 0.00 0.00 42.92 43.75 3kwh s ASP 133 CO -0.00 -0.04 -0.18 -0.63 0.21 0.00 0.00 175.17 174.52 3kwh s ILE 134 N -2.12 2.33 -0.28 0.77 1.01 -1.26 -1.05 121.20 120.60 3kwh s ILE 134 Ca 0.16 -0.88 -0.08 0.00 0.00 0.00 0.00 60.65 59.85 3kwh s ILE 134 Cb -0.05 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.43 3kwh s ILE 134 CO 0.07 0.53 0.11 -0.47 0.00 0.00 0.00 174.94 175.18 3kwh s TYR 135 N 0.94 3.14 -0.23 3.97 5.04 0.16 -2.21 117.35 128.16 3kwh s TYR 135 Ca -0.03 -0.50 -0.29 0.00 -2.44 0.00 0.00 57.07 53.80 3kwh s TYR 135 Cb -0.15 -2.29 0.01 0.00 0.35 0.00 0.00 41.96 39.87 3kwh s TYR 135 CO -0.03 -0.41 1.07 0.34 -1.34 0.00 0.00 175.55 175.18 3kwh s ASP 136 N 1.61 7.07 0.01 4.32 -1.08 -0.34 -1.50 116.67 126.76 3kwh s ASP 136 Ca 0.05 1.40 -0.18 0.00 -0.52 0.00 0.00 52.55 53.30 3kwh s ASP 136 Cb -0.16 -2.54 -0.31 0.00 -1.46 0.00 0.00 42.92 38.45 3kwh s ASP 136 CO 0.05 -0.70 1.02 -0.07 0.52 0.00 0.00 175.17 175.99 3kwh h LEU 137 N 9.53 0.71 -0.78 -1.34 3.38 -1.52 -3.19 115.31 122.10 3kwh h LEU 137 Ca -0.20 -0.87 -0.04 0.00 0.09 0.00 0.00 57.88 56.86 3kwh h LEU 137 Cb 1.07 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 3kwh h LEU 137 CO 0.98 1.52 0.33 0.78 0.09 0.00 0.00 178.44 182.14 3kwh h ASN 138 N 0.01 1.06 -2.72 -0.43 2.35 -1.91 -3.39 115.58 110.55 3kwh h ASN 138 Ca -0.18 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 3kwh h ASN 138 Cb 1.81 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.91 3kwh h ASN 138 CO 0.21 0.93 0.00 0.29 -1.65 0.00 0.00 177.43 177.21 3kwh n LYS 139 N -4.32 0.42 -2.58 0.81 5.02 -1.25 -5.03 118.16 111.24 3kwh n LYS 139 Ca 0.07 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.23 3kwh n LYS 139 Cb 0.17 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.21 3kwh n LYS 139 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kwh n ARG 140 N -0.97 2.13 -4.69 1.97 1.74 -1.23 -4.83 116.66 110.78 3kwh n ARG 140 Ca 0.00 -3.72 -0.33 0.00 -0.77 0.00 0.00 57.85 53.03 3kwh n ARG 140 Cb 0.00 -1.69 -0.13 0.00 -1.02 0.00 0.00 32.46 29.62 3kwh n ARG 140 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3kwh s GLN 141 N -3.44 3.08 0.65 5.56 0.74 -1.21 -4.97 119.66 120.06 3kwh s GLN 141 Ca 0.35 -0.62 -0.13 0.00 0.05 0.00 0.00 55.36 55.01 3kwh s GLN 141 Cb 0.41 -2.62 -0.01 0.00 1.10 0.00 0.00 33.01 31.88 3kwh s GLN 141 CO -0.03 0.43 1.06 -0.51 -0.55 0.00 0.00 175.29 175.69 3kwh s LEU 142 N -0.20 3.32 -0.17 3.68 1.43 -1.26 -1.20 118.68 124.28 3kwh s LEU 142 Ca 0.01 1.74 -0.13 0.00 -1.03 0.00 0.00 54.13 54.72 3kwh s LEU 142 Cb -0.13 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.53 3kwh s LEU 142 CO 0.03 -1.33 0.26 -0.63 0.23 0.00 0.00 176.35 174.91 3kwh s ILE 143 N -2.72 5.33 -0.25 -0.59 1.01 -0.94 -4.88 121.20 118.16 3kwh s ILE 143 Ca 0.61 0.48 0.17 0.00 0.00 0.00 0.00 60.65 61.91 3kwh s ILE 143 Cb -0.15 -3.60 -0.24 0.00 0.01 0.00 0.00 42.46 38.48 3kwh s ILE 143 CO 0.45 0.40 0.47 0.41 0.00 0.00 0.00 174.94 176.67 3kwh n THR 144 N 3.57 0.00 -3.40 2.92 -1.04 -1.26 -4.78 114.28 110.28 3kwh n THR 144 Ca -0.13 -0.30 -0.38 0.00 -2.04 0.00 0.00 64.05 61.20 3kwh n THR 144 Cb 0.52 0.38 -0.06 0.00 -1.82 0.00 0.00 70.33 69.35 3kwh n THR 144 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3kwh s GLU 145 N -2.98 4.05 -1.31 -2.82 2.12 -1.26 -4.50 118.70 112.00 3kwh s GLU 145 Ca -0.02 0.54 -0.21 0.00 0.36 0.00 0.00 54.97 55.64 3kwh s GLU 145 Cb 0.11 -3.24 0.02 0.00 0.26 0.00 0.00 34.13 31.28 3kwh s GLU 145 CO 0.69 0.63 0.51 0.39 -0.54 0.00 0.00 175.26 176.94 3kwh n GLU 146 N 1.91 -0.88 -1.81 4.30 -0.58 -1.26 -4.69 120.64 117.63 3kwh n GLU 146 Ca -0.12 0.17 -0.32 0.00 -0.42 0.00 0.00 57.16 56.46 3kwh n GLU 146 Cb 0.52 -3.23 0.04 0.00 -0.57 0.00 0.00 31.44 28.20 3kwh n GLU 146 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3kwh s ARG 147 N -7.12 2.97 0.36 3.49 0.52 -1.26 -4.81 118.95 113.09 3kwh s ARG 147 Ca 0.32 1.25 -0.28 0.00 -0.52 0.00 0.00 55.73 56.50 3kwh s ARG 147 Cb -0.16 -1.98 -0.10 0.00 0.52 0.00 0.00 34.95 33.22 3kwh s ARG 147 CO 0.95 -1.10 1.35 0.42 0.02 0.00 0.00 175.30 176.95 3kwh s ILE 148 N -2.51 2.52 0.73 1.52 1.01 -1.26 -4.97 121.20 118.25 3kwh s ILE 148 Ca 0.64 0.52 -0.11 0.00 0.00 0.00 0.00 60.65 61.70 3kwh s ILE 148 Cb -0.18 -3.33 0.03 0.00 0.01 0.00 0.00 42.46 39.00 3kwh s ILE 148 CO 0.42 0.12 1.08 -2.16 0.00 0.00 0.00 174.94 174.40 3kwh s PRO 149 N -1.95 2.61 0.91 2.79 0.05 -1.26 -4.68 135.00 133.47 3kwh s PRO 149 Ca 0.51 0.81 -0.11 0.00 0.05 0.00 0.00 61.00 62.26 3kwh s PRO 149 Cb -0.41 -1.96 0.14 0.00 0.05 0.00 0.00 34.50 32.31 3kwh s PRO 149 CO 0.55 -1.29 1.10 -0.80 0.05 0.00 0.00 177.00 176.61 3kwh s ASN 150 N -3.87 3.24 -1.71 6.66 0.01 -1.26 -3.29 114.94 114.72 3kwh s ASN 150 Ca 0.59 1.79 0.00 0.00 -0.71 0.00 0.00 52.86 54.53 3kwh s ASN 150 Cb -0.14 -2.40 0.00 0.00 0.41 0.00 0.00 41.25 39.12 3kwh s ASN 150 CO 0.55 -2.83 0.00 0.59 -1.51 0.00 0.00 177.10 173.89 3kwh n ASN 151 N -4.04 -4.58 -4.71 -1.22 3.02 -1.25 -4.93 115.26 97.55 3kwh n ASN 151 Ca 0.08 0.34 -0.42 0.00 -0.03 0.00 0.00 54.58 54.55 3kwh n ASN 151 Cb 0.54 -4.06 0.00 0.00 -0.61 0.00 0.00 39.78 35.64 3kwh n ASN 151 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3kwh n THR 152 N -2.51 2.29 -0.04 3.41 -1.04 -1.03 -4.68 114.28 110.67 3kwh n THR 152 Ca -0.18 -0.50 0.03 0.00 -2.04 0.00 0.00 64.05 61.37 3kwh n THR 152 Cb 0.58 -1.60 -0.16 0.00 -1.82 0.00 0.00 70.33 67.33 3kwh n THR 152 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kwh n GLN 153 N 0.28 0.70 -3.63 -2.82 6.02 0.14 -1.65 117.38 116.41 3kwh n GLN 153 Ca 0.05 -0.13 -0.09 0.00 -0.01 0.00 0.00 57.00 56.82 3kwh n GLN 153 Cb 0.38 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.07 3kwh n GLN 153 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 3kwh s TRP 154 N -3.11 -0.46 0.03 1.08 -0.11 -1.18 -4.65 118.94 110.54 3kwh s TRP 154 Ca -0.08 1.10 0.02 0.00 1.22 0.00 0.00 56.10 58.35 3kwh s TRP 154 Cb 0.11 0.37 -0.02 0.00 -1.50 0.00 0.00 33.47 32.43 3kwh s TRP 154 CO 0.85 -0.24 -0.07 0.08 -4.62 0.00 0.00 176.95 172.96 3kwh s VAL 155 N 0.10 0.44 -0.28 5.86 1.01 -1.26 -0.52 120.40 125.75 3kwh s VAL 155 Ca 0.03 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 3kwh s VAL 155 Cb -0.05 -0.51 0.08 0.00 0.00 0.00 0.00 36.38 35.91 3kwh s VAL 155 CO -0.06 -0.33 0.72 0.28 0.00 0.00 0.00 175.10 175.71 3kwh s THR 156 N -1.21 0.00 0.55 3.92 -1.32 -0.49 -4.99 115.64 112.10 3kwh s THR 156 Ca -0.09 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.20 3kwh s THR 156 Cb -0.09 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.85 3kwh s THR 156 CO 0.00 0.00 1.10 0.26 -2.21 0.00 0.00 174.62 173.77 3kwh s TRP 157 N 1.40 2.78 1.11 9.09 0.52 -1.26 -1.62 118.94 130.96 3kwh s TRP 157 Ca -0.08 1.55 -0.12 0.00 0.02 0.00 0.00 56.10 57.47 3kwh s TRP 157 Cb -0.05 -3.19 0.25 0.00 -1.15 0.00 0.00 33.47 29.34 3kwh s TRP 157 CO -0.16 -1.35 1.06 -1.54 0.02 0.00 0.00 176.95 174.98 3kwh s SER 158 N -2.04 1.39 0.44 2.95 1.04 -0.25 -4.91 113.70 112.32 3kwh s SER 158 Ca 0.70 1.72 0.24 0.00 0.48 0.00 0.00 55.95 59.09 3kwh s SER 158 Cb -0.21 -2.40 0.70 0.00 0.10 0.00 0.00 66.02 64.21 3kwh s SER 158 CO 0.28 -3.98 1.73 -0.65 0.98 0.00 0.00 173.24 171.60 3kwh h PRO 159 N -2.47 0.00 -2.27 4.02 0.11 -1.86 -3.41 132.00 126.11 3kwh h PRO 159 Ca -0.57 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.09 3kwh h PRO 159 Cb 1.32 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 32.08 3kwh h PRO 159 CO 0.47 0.15 -0.75 0.08 -0.21 0.00 0.00 178.00 177.74 3kwh s VAL 160 N -3.39 -0.15 0.00 3.15 1.01 -1.26 -4.79 120.40 114.97 3kwh s VAL 160 Ca 0.03 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.85 3kwh s VAL 160 Cb 0.08 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.56 3kwh s VAL 160 CO 0.64 -0.73 0.00 0.61 0.00 0.00 0.00 175.10 175.62 3kwh n GLY 161 N 4.39 0.49 0.90 4.51 0.00 -1.26 -4.87 105.19 109.35 3kwh n GLY 161 Ca 0.08 -1.06 -0.03 0.00 0.00 0.00 0.00 46.02 45.01 3kwh n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3kwh n HIS 162 N 0.00 0.00 -1.58 1.61 1.44 -1.26 -2.42 115.22 113.01 3kwh n HIS 162 Ca 0.00 -0.33 -0.34 0.00 -2.01 0.00 0.00 57.72 55.05 3kwh n HIS 162 Cb 0.00 0.30 0.07 0.00 0.12 0.00 0.00 29.99 30.48 3kwh n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3kwh s LYS 163 N 0.00 2.42 0.05 -1.40 1.02 -1.26 -4.65 119.74 115.92 3kwh s LYS 163 Ca 0.05 1.63 0.07 0.00 0.02 0.00 0.00 55.97 57.74 3kwh s LYS 163 Cb 0.06 -1.88 -0.03 0.00 -0.52 0.00 0.00 37.83 35.46 3kwh s LYS 163 CO -0.02 -1.59 -0.19 -0.51 -0.92 0.00 0.00 175.35 172.11 3kwh s LEU 164 N -4.98 2.19 -0.06 3.17 1.43 0.16 -1.09 118.68 119.50 3kwh s LEU 164 Ca 0.72 -0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 53.28 3kwh s LEU 164 Cb -0.26 -0.88 0.03 0.00 0.03 0.00 0.00 46.19 45.11 3kwh s LEU 164 CO 0.43 0.12 -0.02 0.00 0.23 0.00 0.00 176.35 177.11 3kwh s ALA 165 N -0.87 0.66 0.22 4.21 0.00 -0.64 0.14 121.76 125.48 3kwh s ALA 165 Ca 0.06 -0.08 0.02 0.00 0.00 0.00 0.00 51.96 51.96 3kwh s ALA 165 Cb -0.09 -0.58 -0.05 0.00 0.00 0.00 0.00 23.12 22.40 3kwh s ALA 165 CO 0.02 -0.25 0.03 1.52 0.00 0.00 0.00 175.76 177.08 3kwh s TYR 166 N 1.47 1.42 -0.10 0.00 -0.85 -0.92 -1.40 117.35 116.97 3kwh s TYR 166 Ca -0.03 -1.04 0.01 0.00 -0.52 0.00 0.00 57.07 55.49 3kwh s TYR 166 Cb -0.13 -0.82 0.02 0.00 0.38 0.00 0.00 41.96 41.41 3kwh s TYR 166 CO -0.03 -0.20 -0.10 0.08 -1.52 0.00 0.00 175.55 173.79 3kwh s VAL 167 N -3.61 1.11 -0.01 -3.49 1.01 0.32 -0.94 120.40 114.78 3kwh s VAL 167 Ca 0.30 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.90 3kwh s VAL 167 Cb 0.07 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.38 3kwh s VAL 167 CO 0.08 0.37 -0.01 0.86 0.00 0.00 0.00 175.10 176.41 3kwh s TRP 168 N 1.32 0.15 -1.45 5.22 -0.00 -0.84 0.23 118.94 123.57 3kwh s TRP 168 Ca -0.02 -0.00 -0.14 0.00 -0.00 0.00 0.00 56.10 55.93 3kwh s TRP 168 Cb -0.14 -0.15 0.12 0.00 -0.00 0.00 0.00 33.47 33.30 3kwh s TRP 168 CO -0.04 -0.03 0.62 0.09 -0.00 0.00 0.00 176.95 177.58 3kwh n ASN 169 N 3.33 -3.23 -0.31 5.86 5.03 -1.26 -1.24 115.26 123.45 3kwh n ASN 169 Ca -0.16 -0.70 -0.04 0.00 0.87 0.00 0.00 54.58 54.55 3kwh n ASN 169 Cb 0.57 -2.68 -0.02 0.00 -1.02 0.00 0.00 39.78 36.64 3kwh n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3kwh n ASN 170 N -2.42 -4.39 -4.45 6.41 4.13 -1.26 -4.43 115.26 108.84 3kwh n ASN 170 Ca 0.04 0.10 -0.26 0.00 1.68 0.00 0.00 54.58 56.14 3kwh n ASN 170 Cb 0.51 -2.25 -0.11 0.00 -1.54 0.00 0.00 39.78 36.39 3kwh n ASN 170 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3kwh s ASP 171 N -2.34 3.54 -0.14 6.41 1.01 -0.37 -1.99 116.67 122.79 3kwh s ASP 171 Ca 0.00 -0.88 -0.11 0.00 0.71 0.00 0.00 52.55 52.26 3kwh s ASP 171 Cb 0.00 -0.31 -0.05 0.00 1.01 0.00 0.00 42.92 43.58 3kwh s ASP 171 CO 0.00 0.10 0.24 -0.63 0.21 0.00 0.00 175.17 175.08 3kwh s ILE 172 N -1.89 5.34 0.08 0.77 1.01 -1.26 -1.98 121.20 123.28 3kwh s ILE 172 Ca 0.23 0.43 0.09 0.00 0.00 0.00 0.00 60.65 61.40 3kwh s ILE 172 Cb -0.07 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 3kwh s ILE 172 CO 0.12 0.48 -0.24 -0.31 0.00 0.00 0.00 174.94 174.99 3kwh s TYR 173 N -0.13 2.08 0.04 3.97 1.51 -0.12 -0.74 117.35 123.96 3kwh s TYR 173 Ca 0.15 -0.40 0.09 0.00 -1.01 0.00 0.00 57.07 55.90 3kwh s TYR 173 Cb -0.13 -1.19 -0.03 0.00 -0.11 0.00 0.00 41.96 40.51 3kwh s TYR 173 CO 0.04 0.20 -0.25 0.08 -1.11 0.00 0.00 175.55 174.51 3kwh s VAL 174 N -0.96 2.02 -0.14 0.71 1.01 0.82 -2.16 120.40 121.69 3kwh s VAL 174 Ca 0.10 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 60.76 3kwh s VAL 174 Cb -0.10 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.58 3kwh s VAL 174 CO 0.04 0.34 -0.14 -0.54 0.00 0.00 0.00 175.10 174.79 3kwh s LYS 175 N -1.19 2.29 -0.07 2.72 1.02 0.12 -0.82 119.74 123.81 3kwh s LYS 175 Ca 0.11 -0.56 -0.21 0.00 0.02 0.00 0.00 55.97 55.33 3kwh s LYS 175 Cb -0.10 -2.08 -0.16 0.00 -0.52 0.00 0.00 37.83 34.97 3kwh s LYS 175 CO 0.02 -0.22 0.78 0.82 -0.92 0.00 0.00 175.35 175.83 3kwh h ILE 176 N 6.04 0.96 -4.35 2.17 1.08 -1.87 0.46 117.51 122.00 3kwh h ILE 176 Ca -0.37 -1.34 -0.66 0.00 -0.39 0.00 0.00 64.86 62.10 3kwh h ILE 176 Cb 1.14 1.67 -0.30 0.00 -3.07 0.00 0.00 36.82 36.26 3kwh h ILE 176 CO 0.52 0.27 -0.87 -1.61 -0.69 0.00 0.00 178.15 175.77 3kwh s GLU 177 N -3.05 2.07 0.49 2.37 0.41 -1.26 -4.09 118.70 115.64 3kwh s GLU 177 Ca -0.13 -0.84 0.25 0.00 -0.41 0.00 0.00 54.97 53.84 3kwh s GLU 177 Cb -0.00 -1.91 1.31 0.00 -1.78 0.00 0.00 34.13 31.75 3kwh s GLU 177 CO 0.47 0.46 1.88 -1.35 -0.49 0.00 0.00 175.26 176.23 3kwh h PRO 178 N 5.73 0.16 -0.02 0.39 0.11 -1.87 -0.06 132.00 136.45 3kwh h PRO 178 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3kwh h PRO 178 Cb 1.14 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3kwh h PRO 178 CO 0.47 0.11 -0.13 0.27 -0.21 0.00 0.00 178.00 178.51 3kwh n ASN 179 N -4.38 1.78 -4.97 -2.05 6.94 -1.26 -4.85 115.26 106.47 3kwh n ASN 179 Ca 0.19 -1.46 -0.21 0.00 -0.02 0.00 0.00 54.58 53.07 3kwh n ASN 179 Cb 0.84 0.10 -0.02 0.00 -2.36 0.00 0.00 39.78 38.34 3kwh n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3kwh s LEU 180 N -2.19 4.21 0.47 -4.53 2.01 -0.04 -4.34 118.68 114.27 3kwh s LEU 180 Ca 0.30 0.10 -0.24 0.00 0.01 0.00 0.00 54.13 54.29 3kwh s LEU 180 Cb 0.20 -2.92 -0.08 0.00 0.01 0.00 0.00 46.19 43.40 3kwh s LEU 180 CO 0.41 -0.17 1.37 -2.65 1.01 0.00 0.00 176.35 176.32 3kwh n PRO 181 N -1.51 2.04 -2.63 1.29 -0.02 -1.26 -4.81 135.00 128.10 3kwh n PRO 181 Ca -0.07 0.73 -0.31 0.00 -2.02 0.00 0.00 63.50 61.84 3kwh n PRO 181 Cb 0.57 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 3kwh n PRO 181 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kwh s SER 182 N -0.59 6.50 -0.20 2.55 1.04 -1.26 -4.79 113.70 116.96 3kwh s SER 182 Ca 0.63 1.26 -0.08 0.00 0.48 0.00 0.00 55.95 58.24 3kwh s SER 182 Cb -0.46 -2.38 -0.04 0.00 0.10 0.00 0.00 66.02 63.24 3kwh s SER 182 CO 0.56 -0.51 0.09 -0.31 0.98 0.00 0.00 173.24 174.05 3kwh s TYR 183 N -2.54 3.30 -0.17 5.02 1.51 0.00 -4.87 117.35 119.60 3kwh s TYR 183 Ca 0.53 0.14 -0.28 0.00 -1.01 0.00 0.00 57.07 56.45 3kwh s TYR 183 Cb -0.10 -2.13 -0.00 0.00 -0.11 0.00 0.00 41.96 39.62 3kwh s TYR 183 CO 0.34 0.17 0.98 0.50 -1.11 0.00 0.00 175.55 176.43 3kwh s ARG 184 N 0.47 4.33 -0.11 -0.62 3.52 -1.26 -0.12 118.95 125.15 3kwh s ARG 184 Ca 0.05 1.29 0.09 0.00 -0.13 0.00 0.00 55.73 57.03 3kwh s ARG 184 Cb -0.12 -3.59 -0.24 0.00 -1.56 0.00 0.00 34.95 29.44 3kwh s ARG 184 CO 0.00 -0.44 0.39 -0.89 -0.81 0.00 0.00 175.30 173.55 3kwh n ILE 185 N 4.89 1.59 -4.21 4.11 2.08 0.08 -4.37 119.36 123.54 3kwh n ILE 185 Ca 0.09 -0.76 -0.15 0.00 0.56 0.00 0.00 62.75 62.49 3kwh n ILE 185 Cb 0.48 -1.09 -0.11 0.00 -0.75 0.00 0.00 39.64 38.17 3kwh n ILE 185 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3kwh s THR 186 N -2.56 1.07 0.00 1.39 -4.23 -1.22 -4.78 115.64 105.31 3kwh s THR 186 Ca -0.12 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 3kwh s THR 186 Cb 0.07 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.36 3kwh s THR 186 CO 0.79 -0.61 0.24 0.79 -0.54 0.00 0.00 174.62 175.30 3kwh n TRP 187 N 0.29 0.00 1.33 3.99 7.02 -1.26 -4.59 117.44 124.22 3kwh n TRP 187 Ca -0.14 -0.01 0.13 0.00 -1.02 0.00 0.00 57.50 56.46 3kwh n TRP 187 Cb 0.59 -0.00 0.42 0.00 -2.42 0.00 0.00 31.31 29.89 3kwh n TRP 187 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 3kwh n THR 188 N -0.01 0.00 -1.73 -0.99 -2.24 -1.26 -4.98 114.28 103.07 3kwh n THR 188 Ca 0.00 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 3kwh n THR 188 Cb 0.16 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 68.86 3kwh n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kwh n GLY 189 N 1.28 1.31 3.05 3.38 0.00 -1.26 -4.71 105.19 108.24 3kwh n GLY 189 Ca 0.15 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.55 3kwh n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kwh s LYS 190 N -0.03 0.18 -0.03 1.61 2.20 -1.04 -4.93 119.74 117.70 3kwh s LYS 190 Ca 0.68 0.76 -0.37 0.00 -0.36 0.00 0.00 55.97 56.68 3kwh s LYS 190 Cb -0.52 0.00 -0.16 0.00 -1.51 0.00 0.00 37.83 35.64 3kwh s LYS 190 CO 0.44 -0.27 1.53 -1.91 -0.36 0.00 0.00 175.35 174.78 3kwh n GLU 191 N 5.24 1.32 -0.93 4.03 2.13 -1.26 -0.95 120.64 130.21 3kwh n GLU 191 Ca -0.08 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.21 3kwh n GLU 191 Cb 0.50 -2.16 0.00 0.00 0.27 0.00 0.00 31.44 30.05 3kwh n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3kwh n ASP 192 N 3.77 -3.45 0.06 4.31 8.00 -1.26 -4.76 116.55 123.22 3kwh n ASP 192 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.71 3kwh n ASP 192 Cb 0.19 -1.94 0.00 0.00 -0.02 0.00 0.00 41.12 39.35 3kwh n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3kwh n ILE 193 N -2.34 0.17 -4.07 0.53 5.41 -0.13 -4.72 119.36 114.21 3kwh n ILE 193 Ca 0.00 0.06 -0.35 0.00 1.00 0.00 0.00 62.75 63.46 3kwh n ILE 193 Cb 0.20 -0.77 -0.13 0.00 -0.71 0.00 0.00 39.64 38.23 3kwh n ILE 193 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3kwh s ILE 194 N -2.00 3.75 -0.27 1.39 -1.09 -0.36 0.18 121.20 122.80 3kwh s ILE 194 Ca 0.00 -0.38 0.02 0.00 -2.23 0.00 0.00 60.65 58.06 3kwh s ILE 194 Cb 0.00 -2.69 0.05 0.00 -1.58 0.00 0.00 42.46 38.24 3kwh s ILE 194 CO 0.00 0.43 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.74 3kwh s TYR 195 N 1.10 3.23 -0.38 3.97 1.51 0.64 -2.50 117.35 124.92 3kwh s TYR 195 Ca 0.02 -2.15 -0.11 0.00 -1.01 0.00 0.00 57.07 53.83 3kwh s TYR 195 Cb -0.14 -1.98 0.04 0.00 -0.11 0.00 0.00 41.96 39.76 3kwh s TYR 195 CO 0.01 -0.85 0.22 -0.80 -1.11 0.00 0.00 175.55 173.01 3kwh s ASN 196 N 1.16 5.72 0.00 2.29 0.01 -0.84 -1.25 114.94 122.02 3kwh s ASN 196 Ca -0.07 -1.08 0.00 0.00 -0.71 0.00 0.00 52.86 51.00 3kwh s ASN 196 Cb -0.19 -2.02 0.00 0.00 0.41 0.00 0.00 41.25 39.45 3kwh s ASN 196 CO -0.04 -0.41 0.00 0.61 -1.51 0.00 0.00 177.10 175.74 3kwh n GLY 197 N 4.99 0.66 3.11 0.66 0.00 -0.14 -4.31 105.19 110.16 3kwh n GLY 197 Ca -0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 3kwh n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kwh s ILE 198 N -2.40 0.20 0.28 -0.61 -4.36 -1.26 -1.59 121.20 111.46 3kwh s ILE 198 Ca 0.00 -1.65 -0.10 0.00 -0.26 0.00 0.00 60.65 58.64 3kwh s ILE 198 Cb 0.00 -1.44 -0.07 0.00 1.25 0.00 0.00 42.46 42.20 3kwh s ILE 198 CO 0.00 -0.91 0.62 0.42 0.24 0.00 0.00 174.94 175.31 3kwh s THR 199 N -3.81 4.87 0.51 8.37 -4.23 -0.61 -4.69 115.64 116.05 3kwh s THR 199 Ca 0.06 0.53 -0.09 0.00 -1.18 0.00 0.00 61.69 61.01 3kwh s THR 199 Cb 0.07 -3.65 0.12 0.00 1.34 0.00 0.00 72.50 70.38 3kwh s THR 199 CO -0.10 -0.20 0.64 -0.90 -0.54 0.00 0.00 174.62 173.52 3kwh n ASP 200 N -0.48 -0.30 -0.13 3.99 5.75 -1.26 -4.64 116.55 119.48 3kwh n ASP 200 Ca 0.01 -1.15 -0.09 0.00 -0.01 0.00 0.00 54.79 53.55 3kwh n ASP 200 Cb 0.53 -0.51 -0.01 0.00 -1.03 0.00 0.00 41.12 40.10 3kwh n ASP 200 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3kwh h TRP 201 N -1.54 0.59 -0.21 2.11 7.01 -2.00 0.92 115.95 122.83 3kwh h TRP 201 Ca -0.21 -0.05 -0.11 0.00 2.11 0.00 0.00 58.89 60.63 3kwh h TRP 201 Cb 0.60 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.48 3kwh h TRP 201 CO 0.00 0.54 -0.30 -0.39 -2.79 0.00 0.00 178.44 175.50 3kwh h VAL 202 N 0.48 1.33 -0.85 2.65 -1.51 -1.93 -2.48 116.25 113.94 3kwh h VAL 202 Ca 0.13 -1.50 0.01 0.00 -1.23 0.00 0.00 66.70 64.10 3kwh h VAL 202 Cb 0.20 1.80 -0.04 0.00 -2.13 0.00 0.00 31.29 31.12 3kwh h VAL 202 CO -0.01 0.46 0.57 1.88 -1.23 0.00 0.00 177.57 179.24 3kwh h TYR 203 N 0.25 1.08 -0.44 5.19 -1.99 -1.88 0.52 116.97 119.71 3kwh h TYR 203 Ca 0.02 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.72 3kwh h TYR 203 Cb 0.88 -0.36 -0.02 0.00 2.00 0.00 0.00 36.73 39.23 3kwh h TYR 203 CO 0.08 0.68 0.06 1.49 -0.00 0.00 0.00 178.16 180.47 3kwh h GLU 204 N 1.16 0.73 0.00 4.88 4.81 -0.64 -1.47 114.58 124.06 3kwh h GLU 204 Ca 0.31 -0.20 -0.26 0.00 -0.13 0.00 0.00 59.36 59.08 3kwh h GLU 204 Cb -0.13 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.12 3kwh h GLU 204 CO -0.07 0.77 -1.43 1.49 -0.73 0.00 0.00 179.01 179.04 3kwh h GLU 205 N 0.59 0.00 0.00 1.92 4.57 -1.21 -2.36 114.58 118.09 3kwh h GLU 205 Ca 0.13 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.28 3kwh h GLU 205 Cb 0.40 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 3kwh h GLU 205 CO 0.01 0.66 -1.22 0.39 -1.18 0.00 0.00 179.01 177.67 3kwh n GLU 206 N -3.15 1.40 0.00 1.92 -0.58 0.15 -4.64 120.64 115.76 3kwh n GLU 206 Ca -0.10 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 3kwh n GLU 206 Cb 1.00 -1.10 0.00 0.00 -0.57 0.00 0.00 31.44 30.77 3kwh n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3kwh n VAL 207 N -1.84 0.00 1.37 2.62 0.31 -1.06 -4.80 118.33 114.93 3kwh n VAL 207 Ca -0.03 0.19 0.14 0.00 -0.01 0.00 0.00 64.34 64.63 3kwh n VAL 207 Cb 0.31 -1.12 0.58 0.00 -0.91 0.00 0.00 33.84 32.70 3kwh n VAL 207 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3kwh n PHE 208 N -1.96 0.00 -4.03 3.52 3.72 -0.58 -4.92 117.46 113.22 3kwh n PHE 208 Ca 0.00 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.13 3kwh n PHE 208 Cb 0.00 -0.19 -0.04 0.00 -0.94 0.00 0.00 39.48 38.32 3kwh n PHE 208 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3kwh n SER 209 N -0.96 -0.31 -3.60 4.37 7.64 -0.99 -4.91 113.62 114.85 3kwh n SER 209 Ca 0.14 -1.08 -0.03 0.00 1.01 0.00 0.00 58.87 58.91 3kwh n SER 209 Cb 0.29 -2.70 -0.01 0.00 -1.01 0.00 0.00 64.21 60.77 3kwh n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kwh s ALA 210 N -4.03 -2.02 -0.05 -0.43 0.00 -0.92 -5.01 121.76 109.30 3kwh s ALA 210 Ca 0.03 1.06 0.13 0.00 0.00 0.00 0.00 51.96 53.18 3kwh s ALA 210 Cb -0.01 0.21 -0.22 0.00 0.00 0.00 0.00 23.12 23.10 3kwh s ALA 210 CO 0.91 -0.79 0.71 -0.92 0.00 0.00 0.00 175.76 175.67 3kwh h TYR 211 N 2.00 0.00 -3.89 0.00 3.20 -1.87 -3.38 116.97 113.03 3kwh h TYR 211 Ca -0.19 0.00 -0.51 0.00 3.14 0.00 0.00 58.73 61.16 3kwh h TYR 211 Cb 1.20 0.00 0.05 0.00 1.54 0.00 0.00 36.73 39.52 3kwh h TYR 211 CO 0.30 0.94 0.55 0.45 -1.64 0.00 0.00 178.16 178.76 3kwh s SER 212 N -6.07 6.77 -0.28 -2.11 0.15 -1.26 -1.58 113.70 109.31 3kwh s SER 212 Ca -0.04 2.48 0.21 0.00 0.70 0.00 0.00 55.95 59.29 3kwh s SER 212 Cb 0.08 -2.63 0.49 0.00 -1.71 0.00 0.00 66.02 62.25 3kwh s SER 212 CO 0.82 -0.52 1.05 0.00 1.20 0.00 0.00 173.24 175.80 3kwh n ALA 213 N 0.59 2.90 -2.50 5.45 0.00 -0.62 -4.65 120.51 121.69 3kwh n ALA 213 Ca 0.01 -2.88 -0.25 0.00 0.00 0.00 0.00 53.44 50.32 3kwh n ALA 213 Cb 0.44 -0.90 -0.15 0.00 0.00 0.00 0.00 19.45 18.84 3kwh n ALA 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kwh s LEU 214 N -3.54 2.08 -0.23 0.00 1.43 -1.26 -1.93 118.68 115.22 3kwh s LEU 214 Ca 0.27 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 3kwh s LEU 214 Cb 0.38 -0.89 0.09 0.00 0.03 0.00 0.00 46.19 45.79 3kwh s LEU 214 CO -0.01 0.19 0.14 0.26 0.23 0.00 0.00 176.35 177.16 3kwh s TRP 215 N -0.54 0.12 0.62 0.29 0.51 0.79 -5.01 118.94 115.72 3kwh s TRP 215 Ca 0.06 -0.46 -0.18 0.00 -2.12 0.00 0.00 56.10 53.40 3kwh s TRP 215 Cb -0.07 -0.71 -0.02 0.00 -0.81 0.00 0.00 33.47 31.85 3kwh s TRP 215 CO 0.00 -0.69 1.23 -1.58 -0.51 0.00 0.00 176.95 175.40 3kwh s TRP 216 N 2.17 2.27 0.59 -1.98 0.52 -1.26 -1.83 118.94 119.42 3kwh s TRP 216 Ca 0.06 1.51 -0.15 0.00 0.02 0.00 0.00 56.10 57.55 3kwh s TRP 216 Cb -0.16 -3.54 -0.04 0.00 -1.15 0.00 0.00 33.47 28.58 3kwh s TRP 216 CO -0.23 -2.46 1.03 -1.54 0.02 0.00 0.00 176.95 173.77 3kwh s SER 217 N -1.58 6.03 0.49 2.95 1.04 -0.54 -4.91 113.70 117.19 3kwh s SER 217 Ca 0.79 1.66 0.14 0.00 0.48 0.00 0.00 55.95 59.01 3kwh s SER 217 Cb -0.32 -2.51 1.16 0.00 0.10 0.00 0.00 66.02 64.44 3kwh s SER 217 CO 0.36 -1.00 2.12 -0.65 0.98 0.00 0.00 173.24 175.05 3kwh h PRO 218 N 0.30 0.12 -0.71 4.02 0.11 -1.91 -0.70 132.00 133.24 3kwh h PRO 218 Ca -0.46 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 3kwh h PRO 218 Cb 1.20 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 3kwh h PRO 218 CO 0.59 0.10 0.24 -0.91 -0.21 0.00 0.00 178.00 177.81 3kwh h ASN 219 N 0.13 1.00 0.00 -2.05 2.35 -1.93 -3.40 115.58 111.67 3kwh h ASN 219 Ca 0.03 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 3kwh h ASN 219 Cb 0.01 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.12 3kwh h ASN 219 CO -0.01 0.92 0.00 0.61 -1.65 0.00 0.00 177.43 177.30 3kwh n GLY 220 N -0.84 0.60 0.13 2.83 0.00 -0.27 -4.75 105.19 102.88 3kwh n GLY 220 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 3kwh n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kwh h THR 221 N 0.00 0.00 -3.22 2.61 2.02 -1.91 -3.44 112.91 108.97 3kwh h THR 221 Ca 0.00 -0.04 -0.58 0.00 0.77 0.00 0.00 66.41 66.57 3kwh h THR 221 Cb 0.00 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.37 3kwh h THR 221 CO 0.00 0.00 -0.10 -0.36 0.37 0.00 0.00 175.52 175.43 3kwh s PHE 222 N -3.42 3.70 -0.24 3.16 0.08 -1.26 -0.40 117.98 119.60 3kwh s PHE 222 Ca -0.05 1.11 -0.03 0.00 0.12 0.00 0.00 56.93 58.08 3kwh s PHE 222 Cb 0.00 -2.39 0.01 0.00 -0.57 0.00 0.00 43.02 40.07 3kwh s PHE 222 CO 0.14 0.54 -0.04 -1.17 -0.10 0.00 0.00 175.22 174.59 3kwh s LEU 223 N -1.47 3.11 -0.11 -0.37 0.20 0.02 -1.46 118.68 118.60 3kwh s LEU 223 Ca 0.32 -0.63 -0.02 0.00 0.69 0.00 0.00 54.13 54.48 3kwh s LEU 223 Cb -0.17 -1.72 -0.03 0.00 -0.43 0.00 0.00 46.19 43.84 3kwh s LEU 223 CO 0.18 -0.09 -0.02 0.00 -0.29 0.00 0.00 176.35 176.14 3kwh s ALA 224 N 1.42 3.16 0.01 5.97 0.00 -0.76 -0.13 121.76 131.43 3kwh s ALA 224 Ca 0.03 -0.82 -0.08 0.00 0.00 0.00 0.00 51.96 51.10 3kwh s ALA 224 Cb -0.15 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.48 3kwh s ALA 224 CO -0.03 0.46 0.15 1.52 0.00 0.00 0.00 175.76 177.85 3kwh s TYR 225 N -0.45 0.07 0.27 0.00 -0.85 -0.39 -0.15 117.35 115.85 3kwh s TYR 225 Ca 0.08 -0.21 0.06 0.00 -0.52 0.00 0.00 57.07 56.48 3kwh s TYR 225 Cb -0.12 -0.06 -0.03 0.00 0.38 0.00 0.00 41.96 42.13 3kwh s TYR 225 CO 0.02 -0.33 0.32 0.00 -1.52 0.00 0.00 175.55 174.05 3kwh s ALA 226 N -1.80 3.87 -0.03 9.51 0.00 -0.81 -1.67 121.76 130.82 3kwh s ALA 226 Ca -0.11 -1.37 -0.01 0.00 0.00 0.00 0.00 51.96 50.47 3kwh s ALA 226 Cb -0.05 -1.54 0.03 0.00 0.00 0.00 0.00 23.12 21.56 3kwh s ALA 226 CO -0.00 0.17 0.04 -1.14 0.00 0.00 0.00 175.76 174.83 3kwh s GLN 227 N -3.97 -0.05 0.08 0.00 0.74 -0.37 -0.96 119.66 115.12 3kwh s GLN 227 Ca 0.36 0.24 0.07 0.00 0.05 0.00 0.00 55.36 56.09 3kwh s GLN 227 Cb -0.08 -0.32 -0.04 0.00 1.10 0.00 0.00 33.01 33.67 3kwh s GLN 227 CO 0.28 -0.21 -0.13 -0.06 -0.55 0.00 0.00 175.29 174.62 3kwh s PHE 228 N 1.38 2.68 -0.18 1.67 0.08 -0.38 -1.56 117.98 121.67 3kwh s PHE 228 Ca -0.05 -0.19 0.00 0.00 0.12 0.00 0.00 56.93 56.81 3kwh s PHE 228 Cb -0.13 -1.44 0.04 0.00 -0.57 0.00 0.00 43.02 40.93 3kwh s PHE 228 CO -0.03 0.38 -0.07 1.21 -0.10 0.00 0.00 175.22 176.60 3kwh s ASN 229 N -1.95 3.11 -0.15 1.36 3.84 -1.09 -0.26 114.94 119.81 3kwh s ASN 229 Ca 0.19 -0.78 0.15 0.00 0.21 0.00 0.00 52.86 52.63 3kwh s ASN 229 Cb -0.11 -1.06 0.55 0.00 -0.55 0.00 0.00 41.25 40.09 3kwh s ASN 229 CO 0.11 -0.17 1.46 0.47 -2.79 0.00 0.00 177.10 176.18 3kwh n ASP 230 N 4.79 4.08 -0.33 -4.21 9.92 0.13 -2.59 116.55 128.34 3kwh n ASP 230 Ca -0.13 -2.75 0.02 0.00 -0.53 0.00 0.00 54.79 51.40 3kwh n ASP 230 Cb 0.47 -0.51 0.09 0.00 -0.64 0.00 0.00 41.12 40.53 3kwh n ASP 230 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 3kwh h THR 231 N 2.43 0.06 -0.23 -3.53 2.02 -1.86 -0.51 112.91 111.29 3kwh h THR 231 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3kwh h THR 231 Cb 1.39 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 3kwh h THR 231 CO 0.22 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.49 3kwh n GLU 232 N -5.54 2.25 -2.50 6.66 1.02 -1.26 -4.91 120.64 116.36 3kwh n GLU 232 Ca 0.12 -1.86 -0.42 0.00 -0.02 0.00 0.00 57.16 54.98 3kwh n GLU 232 Cb 0.43 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.35 3kwh n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kwh s VAL 233 N -1.71 4.29 0.91 2.62 1.01 -0.20 -4.76 120.40 122.55 3kwh s VAL 233 Ca 0.35 1.63 -0.11 0.00 0.00 0.00 0.00 61.98 63.85 3kwh s VAL 233 Cb 0.21 -4.05 0.14 0.00 0.00 0.00 0.00 36.38 32.68 3kwh s VAL 233 CO 0.30 0.08 1.10 -2.84 0.00 0.00 0.00 175.10 173.75 3kwh s PRO 234 N 1.47 1.13 -0.13 2.72 0.02 -1.26 -4.74 135.00 134.20 3kwh s PRO 234 Ca 0.56 1.18 -0.03 0.00 0.02 0.00 0.00 61.00 62.73 3kwh s PRO 234 Cb -0.26 -1.77 -0.03 0.00 0.02 0.00 0.00 34.50 32.46 3kwh s PRO 234 CO 0.26 -2.43 -0.02 -0.51 -0.33 0.00 0.00 177.00 173.97 3kwh s LEU 235 N -6.42 3.38 0.14 -5.54 1.43 -1.26 -1.78 118.68 108.63 3kwh s LEU 235 Ca 0.65 -0.02 -0.21 0.00 -1.03 0.00 0.00 54.13 53.52 3kwh s LEU 235 Cb -0.20 -1.80 -0.07 0.00 0.03 0.00 0.00 46.19 44.14 3kwh s LEU 235 CO 0.58 0.25 0.66 -0.51 0.23 0.00 0.00 176.35 177.56 3kwh s ILE 236 N -0.11 4.60 -0.02 -0.59 1.10 0.07 -4.89 121.20 121.36 3kwh s ILE 236 Ca 0.03 1.33 0.04 0.00 -0.51 0.00 0.00 60.65 61.54 3kwh s ILE 236 Cb -0.13 -3.94 -0.01 0.00 0.15 0.00 0.00 42.46 38.53 3kwh s ILE 236 CO 0.02 0.43 -0.13 -1.61 -2.11 0.00 0.00 174.94 171.54 3kwh s GLU 237 N -1.41 1.17 0.12 3.50 2.02 -1.26 -1.99 118.70 120.85 3kwh s GLU 237 Ca 0.35 -0.48 -0.18 0.00 0.02 0.00 0.00 54.97 54.69 3kwh s GLU 237 Cb -0.19 -1.10 0.04 0.00 0.10 0.00 0.00 34.13 32.97 3kwh s GLU 237 CO 0.22 0.26 0.44 1.52 0.02 0.00 0.00 175.26 177.72 3kwh s TYR 238 N -0.20 -0.27 0.30 1.61 -0.85 -0.88 -5.01 117.35 112.05 3kwh s TYR 238 Ca 0.03 0.03 -0.25 0.00 -0.52 0.00 0.00 57.07 56.36 3kwh s TYR 238 Cb -0.06 0.30 -0.10 0.00 0.38 0.00 0.00 41.96 42.48 3kwh s TYR 238 CO -0.00 -0.70 0.91 -1.12 -1.52 0.00 0.00 175.55 173.11 3kwh s SER 239 N -2.65 7.30 -0.11 -0.18 0.01 -1.26 -1.04 113.70 115.76 3kwh s SER 239 Ca 0.01 1.77 -0.01 0.00 1.31 0.00 0.00 55.95 59.03 3kwh s SER 239 Cb 0.01 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.71 3kwh s SER 239 CO -0.10 -0.05 -0.06 0.12 0.41 0.00 0.00 173.24 173.56 3kwh s PHE 240 N -1.59 1.33 -0.16 2.43 5.36 0.44 -4.67 117.98 121.11 3kwh s PHE 240 Ca 0.49 -0.65 0.18 0.00 -0.96 0.00 0.00 56.93 55.99 3kwh s PHE 240 Cb -0.18 -1.15 -0.07 0.00 -0.34 0.00 0.00 43.02 41.28 3kwh s PHE 240 CO 0.23 -0.49 0.97 1.88 -1.46 0.00 0.00 175.22 176.36 3kwh h TYR 241 N 8.21 0.00 -2.24 10.12 0.05 -1.96 -1.56 116.97 129.59 3kwh h TYR 241 Ca -0.27 0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.59 3kwh h TYR 241 Cb 1.13 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.85 3kwh h TYR 241 CO 0.47 0.41 -0.11 0.45 -1.05 0.00 0.00 178.16 178.32 3kwh n SER 242 N -2.88 -6.48 -4.36 3.88 2.88 -1.26 -4.73 113.62 100.67 3kwh n SER 242 Ca -0.06 0.33 -0.35 0.00 -1.33 0.00 0.00 58.87 57.47 3kwh n SER 242 Cb 0.75 -0.94 0.09 0.00 -0.75 0.00 0.00 64.21 63.35 3kwh n SER 242 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3kwh n ASP 243 N -3.29 -2.49 -0.24 -3.46 8.00 -1.26 -4.83 116.55 108.98 3kwh n ASP 243 Ca 0.00 0.40 0.25 0.00 0.71 0.00 0.00 54.79 56.15 3kwh n ASP 243 Cb 0.14 -1.13 0.61 0.00 -0.02 0.00 0.00 41.12 40.73 3kwh n ASP 243 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3kwh h GLU 244 N -1.04 0.21 0.00 -1.24 4.81 -2.05 -2.25 114.58 113.02 3kwh h GLU 244 Ca -0.44 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3kwh h GLU 244 Cb 1.31 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3kwh h GLU 244 CO 0.35 0.14 0.00 -1.13 -0.73 0.00 0.00 179.01 177.64 3kwh n SER 245 N -4.41 0.34 -4.66 1.04 3.41 -1.26 -4.65 113.62 103.43 3kwh n SER 245 Ca 0.21 0.56 -0.43 0.00 -0.26 0.00 0.00 58.87 58.95 3kwh n SER 245 Cb 0.88 -0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 64.16 3kwh n SER 245 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3kwh s LEU 246 N -3.70 4.11 0.06 1.04 0.20 -0.85 -4.91 118.68 114.64 3kwh s LEU 246 Ca 0.08 1.44 -0.19 0.00 0.69 0.00 0.00 54.13 56.15 3kwh s LEU 246 Cb 0.11 -3.54 -0.11 0.00 -0.43 0.00 0.00 46.19 42.22 3kwh s LEU 246 CO 0.40 -0.72 1.44 -0.61 -0.29 0.00 0.00 176.35 176.57 3kwh h GLN 247 N 7.74 0.41 -5.22 1.98 4.15 -1.90 -3.43 115.11 118.84 3kwh h GLN 247 Ca -0.21 -0.17 -0.66 0.00 0.77 0.00 0.00 58.65 58.38 3kwh h GLN 247 Cb 1.07 -0.02 -0.29 0.00 0.21 0.00 0.00 27.48 28.46 3kwh h GLN 247 CO 0.98 0.68 -0.78 0.71 -1.93 0.00 0.00 178.83 178.49 3kwh s TYR 248 N -4.65 2.81 0.60 3.99 1.51 -1.26 -5.09 117.35 115.25 3kwh s TYR 248 Ca -0.14 -0.88 -0.20 0.00 -1.01 0.00 0.00 57.07 54.84 3kwh s TYR 248 Cb 0.06 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 3kwh s TYR 248 CO 0.75 -0.38 1.34 -2.30 -1.11 0.00 0.00 175.55 173.85 3kwh n PRO 249 N 3.92 1.43 -3.61 -1.71 -0.02 -1.26 -4.97 135.00 128.77 3kwh n PRO 249 Ca -0.19 0.54 -0.38 0.00 -2.02 0.00 0.00 63.50 61.46 3kwh n PRO 249 Cb 0.52 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.38 3kwh n PRO 249 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3kwh s LYS 250 N -3.12 3.77 -0.28 -0.52 2.20 -0.59 -4.90 119.74 116.30 3kwh s LYS 250 Ca 0.77 0.25 -0.12 0.00 -0.36 0.00 0.00 55.97 56.50 3kwh s LYS 250 Cb -0.40 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 3kwh s LYS 250 CO 0.45 0.71 0.25 0.99 -0.36 0.00 0.00 175.35 177.39 3kwh s THR 251 N -1.09 5.26 0.11 3.43 2.01 -1.26 -0.42 115.64 123.69 3kwh s THR 251 Ca 0.22 0.29 -0.23 0.00 0.31 0.00 0.00 61.69 62.27 3kwh s THR 251 Cb -0.15 -3.59 -0.07 0.00 0.01 0.00 0.00 72.50 68.69 3kwh s THR 251 CO 0.11 0.21 0.70 -0.69 -0.69 0.00 0.00 174.62 174.26 3kwh s VAL 252 N 1.86 4.55 -0.06 3.82 1.01 -0.21 -4.94 120.40 126.44 3kwh s VAL 252 Ca 0.10 1.52 -0.01 0.00 0.00 0.00 0.00 61.98 63.58 3kwh s VAL 252 Cb -0.16 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.20 3kwh s VAL 252 CO 0.11 0.51 0.02 -0.13 0.00 0.00 0.00 175.10 175.61 3kwh s ARG 253 N -0.96 0.34 -0.01 2.72 0.52 -1.26 -2.07 118.95 118.23 3kwh s ARG 253 Ca 0.34 0.20 0.04 0.00 -0.52 0.00 0.00 55.73 55.78 3kwh s ARG 253 Cb -0.21 -0.77 -0.01 0.00 0.52 0.00 0.00 34.95 34.48 3kwh s ARG 253 CO 0.23 -0.30 -0.12 0.08 0.02 0.00 0.00 175.30 175.21 3kwh s VAL 254 N 1.97 0.94 -0.08 3.52 1.01 -0.84 -4.96 120.40 121.95 3kwh s VAL 254 Ca 0.04 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 3kwh s VAL 254 Cb -0.12 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 3kwh s VAL 254 CO -0.04 0.27 1.43 -2.84 0.00 0.00 0.00 175.10 173.92 3kwh s PRO 255 N -0.18 4.23 -0.28 2.72 0.02 -1.26 -0.75 135.00 139.50 3kwh s PRO 255 Ca 0.03 1.92 0.01 0.00 0.02 0.00 0.00 61.00 62.97 3kwh s PRO 255 Cb -0.06 -3.78 0.16 0.00 0.02 0.00 0.00 34.50 30.84 3kwh s PRO 255 CO -0.00 -0.71 0.45 -0.47 -0.33 0.00 0.00 177.00 175.94 3kwh s TYR 256 N 3.35 -1.15 -0.45 6.54 6.14 -0.73 -4.40 117.35 126.65 3kwh s TYR 256 Ca 0.63 0.77 -0.28 0.00 0.64 0.00 0.00 57.07 58.83 3kwh s TYR 256 Cb -0.28 0.06 0.01 0.00 0.42 0.00 0.00 41.96 42.17 3kwh s TYR 256 CO 0.23 -0.90 1.46 -1.25 0.64 0.00 0.00 175.55 175.73 3kwh s PRO 257 N 2.63 3.45 0.85 4.97 0.04 -1.26 -4.67 135.00 141.01 3kwh s PRO 257 Ca 0.12 0.85 -0.12 0.00 0.04 0.00 0.00 61.00 61.89 3kwh s PRO 257 Cb -0.13 -4.08 0.10 0.00 0.04 0.00 0.00 34.50 30.43 3kwh s PRO 257 CO -0.24 -1.72 1.12 0.15 0.04 0.00 0.00 177.00 176.35 3kwh s LYS 258 N 5.21 1.64 -0.09 4.56 1.02 -1.26 -0.67 119.74 130.15 3kwh s LYS 258 Ca 0.61 0.44 -0.37 0.00 0.02 0.00 0.00 55.97 56.67 3kwh s LYS 258 Cb -0.14 -1.88 -0.15 0.00 -0.52 0.00 0.00 37.83 35.14 3kwh s LYS 258 CO 0.31 -1.88 1.68 0.00 -0.92 0.00 0.00 175.35 174.53 3kwh n ALA 259 N -3.58 0.15 -0.83 5.17 0.00 -0.75 -1.47 120.51 119.21 3kwh n ALA 259 Ca 0.07 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3kwh n ALA 259 Cb 0.58 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.74 3kwh n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kwh n GLY 260 N 3.80 0.58 3.01 0.00 0.00 -1.26 -4.85 105.19 106.47 3kwh n GLY 260 Ca 0.22 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 3kwh n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwh n ALA 261 N 0.48 0.44 -2.37 4.61 0.00 -0.54 -5.02 120.51 118.11 3kwh n ALA 261 Ca 0.00 -1.55 -0.43 0.00 0.00 0.00 0.00 53.44 51.46 3kwh n ALA 261 Cb 0.00 0.32 -0.02 0.00 0.00 0.00 0.00 19.45 19.75 3kwh n ALA 261 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kwh s VAL 262 N -2.14 4.18 0.63 0.00 1.01 -1.26 -4.91 120.40 117.90 3kwh s VAL 262 Ca 0.50 1.43 -0.05 0.00 0.00 0.00 0.00 61.98 63.85 3kwh s VAL 262 Cb -0.03 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.46 3kwh s VAL 262 CO 0.33 -0.12 0.93 0.20 0.00 0.00 0.00 175.10 176.43 3kwh s ASN 263 N 2.14 5.29 0.89 3.32 0.02 -1.26 -4.42 114.94 120.91 3kwh s ASN 263 Ca 0.57 0.55 -0.12 0.00 -1.02 0.00 0.00 52.86 52.85 3kwh s ASN 263 Cb -0.23 -1.42 0.13 0.00 0.02 0.00 0.00 41.25 39.74 3kwh s ASN 263 CO 0.17 -1.26 1.10 -2.16 0.02 0.00 0.00 177.10 174.97 3kwh s PRO 264 N -5.06 1.30 0.32 -0.60 0.04 -1.26 -4.78 135.00 124.97 3kwh s PRO 264 Ca 0.56 0.61 0.09 0.00 0.04 0.00 0.00 61.00 62.30 3kwh s PRO 264 Cb -0.11 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 3kwh s PRO 264 CO 0.44 -2.16 -0.01 0.95 0.04 0.00 0.00 177.00 176.27 3kwh s THR 265 N -3.07 2.77 0.01 1.26 -4.23 -1.07 -4.94 115.64 106.38 3kwh s THR 265 Ca 0.63 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 59.16 3kwh s THR 265 Cb -0.16 -2.76 -0.01 0.00 1.34 0.00 0.00 72.50 70.91 3kwh s THR 265 CO 0.56 -0.25 -0.04 0.54 -0.54 0.00 0.00 174.62 174.88 3kwh s VAL 266 N -2.48 0.30 0.06 2.29 0.11 -1.26 -2.65 120.40 116.77 3kwh s VAL 266 Ca 0.34 -0.41 0.03 0.00 -2.93 0.00 0.00 61.98 59.01 3kwh s VAL 266 Cb -0.02 -0.31 -0.03 0.00 -1.53 0.00 0.00 36.38 34.50 3kwh s VAL 266 CO 0.19 -0.08 -0.10 -0.54 -3.33 0.00 0.00 175.10 171.24 3kwh s LYS 267 N -0.53 0.67 -0.07 1.54 1.02 -0.60 -5.00 119.74 116.77 3kwh s LYS 267 Ca -0.03 -0.89 0.02 0.00 0.02 0.00 0.00 55.97 55.10 3kwh s LYS 267 Cb -0.04 -0.50 0.01 0.00 -0.52 0.00 0.00 37.83 36.79 3kwh s LYS 267 CO -0.00 0.10 -0.14 0.12 -0.92 0.00 0.00 175.35 174.51 3kwh s PHE 268 N -1.54 1.64 0.17 3.18 5.36 -1.26 -1.24 117.98 124.29 3kwh s PHE 268 Ca -0.05 -0.63 0.07 0.00 -0.96 0.00 0.00 56.93 55.36 3kwh s PHE 268 Cb -0.09 -1.18 -0.04 0.00 -0.34 0.00 0.00 43.02 41.37 3kwh s PHE 268 CO 0.01 -0.31 -0.15 -0.06 -1.46 0.00 0.00 175.22 173.25 3kwh s PHE 269 N 0.66 1.63 -0.05 10.12 0.40 -0.67 0.11 117.98 130.18 3kwh s PHE 269 Ca -0.14 -0.56 -0.01 0.00 -0.60 0.00 0.00 56.93 55.62 3kwh s PHE 269 Cb -0.16 -0.80 0.03 0.00 0.51 0.00 0.00 43.02 42.60 3kwh s PHE 269 CO 0.04 0.28 0.02 0.08 0.70 0.00 0.00 175.22 176.34 3kwh s VAL 270 N -2.58 0.16 -0.05 -0.44 1.01 0.21 -1.26 120.40 117.46 3kwh s VAL 270 Ca 0.17 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.36 3kwh s VAL 270 Cb -0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 3kwh s VAL 270 CO 0.05 0.20 -0.03 -0.69 0.00 0.00 0.00 175.10 174.63 3kwh s VAL 271 N 1.72 3.97 -0.55 2.92 1.01 0.81 -2.26 120.40 128.02 3kwh s VAL 271 Ca 0.00 -0.48 -0.28 0.00 0.00 0.00 0.00 61.98 61.22 3kwh s VAL 271 Cb -0.13 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.60 3kwh s VAL 271 CO -0.03 0.52 1.14 0.21 0.00 0.00 0.00 175.10 176.94 3kwh s ASN 272 N -1.08 6.49 0.00 3.32 3.84 -1.26 -0.80 114.94 125.44 3kwh s ASN 272 Ca 0.15 0.16 0.29 0.00 0.21 0.00 0.00 52.86 53.67 3kwh s ASN 272 Cb -0.11 -2.54 1.56 0.00 -0.55 0.00 0.00 41.25 39.61 3kwh s ASN 272 CO 0.04 -1.38 2.02 0.41 -2.79 0.00 0.00 177.10 175.40 3kwh n THR 273 N 6.67 0.05 0.50 -5.21 -1.04 0.47 -2.99 114.28 112.72 3kwh n THR 273 Ca 0.09 0.01 0.12 0.00 -2.04 0.00 0.00 64.05 62.23 3kwh n THR 273 Cb 0.49 -0.55 0.08 0.00 -1.82 0.00 0.00 70.33 68.53 3kwh n THR 273 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3kwh n ASP 274 N -1.17 0.66 -2.13 8.00 8.00 -1.25 -4.38 116.55 124.28 3kwh n ASP 274 Ca 0.17 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.39 3kwh n ASP 274 Cb 0.18 0.51 0.04 0.00 -0.02 0.00 0.00 41.12 41.83 3kwh n ASP 274 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3kwh n SER 275 N -2.12 5.93 -4.88 -2.24 3.41 -1.16 -5.02 113.62 107.54 3kwh n SER 275 Ca 0.02 -3.76 -0.32 0.00 -0.26 0.00 0.00 58.87 54.54 3kwh n SER 275 Cb 0.45 -0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 63.78 3kwh n SER 275 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3kwh s LEU 276 N -3.68 4.25 0.10 1.04 1.43 -1.26 -4.95 118.68 115.61 3kwh s LEU 276 Ca 0.56 0.74 0.02 0.00 -1.03 0.00 0.00 54.13 54.42 3kwh s LEU 276 Cb 0.45 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.27 3kwh s LEU 276 CO 0.02 0.04 -0.08 -0.55 0.23 0.00 0.00 176.35 176.01 3kwh s SER 277 N -2.27 1.24 0.13 2.29 0.15 -1.26 -5.05 113.70 108.93 3kwh s SER 277 Ca 0.41 -0.93 0.07 0.00 0.70 0.00 0.00 55.95 56.20 3kwh s SER 277 Cb -0.12 0.06 -0.19 0.00 -1.71 0.00 0.00 66.02 64.06 3kwh s SER 277 CO 0.22 -0.39 1.29 0.77 1.20 0.00 0.00 173.24 176.33 3kwh h SER 278 N 3.18 0.00 0.05 5.45 4.64 -1.99 -3.37 113.55 121.51 3kwh h SER 278 Ca -0.36 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.86 3kwh h SER 278 Cb 1.18 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.28 3kwh h SER 278 CO 0.61 0.98 -0.44 0.58 -0.87 0.00 0.00 176.83 177.68 3kwh h VAL 279 N 0.00 1.58 -3.02 0.95 2.07 -2.04 -3.45 116.25 112.33 3kwh h VAL 279 Ca -0.01 -2.27 -0.56 0.00 0.82 0.00 0.00 66.70 64.68 3kwh h VAL 279 Cb 1.74 3.05 -0.03 0.00 -1.52 0.00 0.00 31.29 34.53 3kwh h VAL 279 CO 0.13 0.63 -0.31 -0.89 0.02 0.00 0.00 177.57 177.14 3kwh s THR 280 N -2.68 5.18 0.62 2.57 2.01 -1.26 -5.09 115.64 116.99 3kwh s THR 280 Ca -0.15 -0.15 -0.11 0.00 0.31 0.00 0.00 61.69 61.58 3kwh s THR 280 Cb 0.00 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 3kwh s THR 280 CO 0.77 -0.08 1.03 0.20 -0.69 0.00 0.00 174.62 175.85 3kwh s ASN 281 N -2.81 6.21 0.32 3.53 0.01 -1.26 -4.32 114.94 116.62 3kwh s ASN 281 Ca 0.40 1.40 -0.29 0.00 -0.71 0.00 0.00 52.86 53.66 3kwh s ASN 281 Cb -0.12 -2.45 -0.10 0.00 0.41 0.00 0.00 41.25 38.99 3kwh s ASN 281 CO 0.27 -0.88 1.26 0.00 -1.51 0.00 0.00 177.10 176.24 3kwh s ALA 282 N -3.18 3.46 -0.43 0.60 0.00 -1.26 -4.90 121.76 116.06 3kwh s ALA 282 Ca 0.55 1.17 -0.16 0.00 0.00 0.00 0.00 51.96 53.52 3kwh s ALA 282 Cb -0.11 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.60 3kwh s ALA 282 CO 0.54 -0.54 0.38 0.99 0.00 0.00 0.00 175.76 177.13 3kwh s THR 283 N -1.16 5.17 -0.21 0.00 2.01 -1.26 -5.02 115.64 115.18 3kwh s THR 283 Ca 0.48 -0.59 -0.10 0.00 0.31 0.00 0.00 61.69 61.80 3kwh s THR 283 Cb -0.38 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.07 3kwh s THR 283 CO 0.50 -0.42 0.12 -0.44 -0.69 0.00 0.00 174.62 173.70 3kwh s SER 284 N 1.90 6.04 -0.27 3.53 0.01 -1.26 -4.41 113.70 119.24 3kwh s SER 284 Ca 0.08 0.16 -0.10 0.00 1.31 0.00 0.00 55.95 57.40 3kwh s SER 284 Cb -0.19 -2.06 -0.05 0.00 0.21 0.00 0.00 66.02 63.93 3kwh s SER 284 CO 0.11 0.14 0.16 -0.63 0.41 0.00 0.00 173.24 173.43 3kwh s ILE 285 N 0.58 5.09 0.35 1.44 -1.09 -0.96 -4.90 121.20 121.71 3kwh s ILE 285 Ca 0.07 0.09 -0.26 0.00 -2.23 0.00 0.00 60.65 58.33 3kwh s ILE 285 Cb -0.12 -3.41 -0.10 0.00 -1.58 0.00 0.00 42.46 37.25 3kwh s ILE 285 CO 0.00 0.27 1.00 -1.58 -1.23 0.00 0.00 174.94 173.40 3kwh s GLN 286 N 1.69 4.44 -0.28 2.79 0.74 -1.26 -0.62 119.66 127.17 3kwh s GLN 286 Ca 0.07 1.44 -0.02 0.00 0.05 0.00 0.00 55.36 56.90 3kwh s GLN 286 Cb -0.16 -2.74 0.04 0.00 1.10 0.00 0.00 33.01 31.26 3kwh s GLN 286 CO 0.09 0.12 -0.03 0.42 -0.55 0.00 0.00 175.29 175.34 3kwh s ILE 287 N -1.59 2.91 0.60 -2.34 1.01 0.31 -4.92 121.20 117.18 3kwh s ILE 287 Ca 0.52 -1.25 -0.16 0.00 0.00 0.00 0.00 60.65 59.77 3kwh s ILE 287 Cb -0.21 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 3kwh s ILE 287 CO 0.27 0.02 1.06 0.42 0.00 0.00 0.00 174.94 176.71 3kwh s THR 288 N 1.28 3.76 0.81 2.92 -4.23 -1.26 -4.20 115.64 114.71 3kwh s THR 288 Ca -0.03 0.83 -0.11 0.00 -1.18 0.00 0.00 61.69 61.19 3kwh s THR 288 Cb -0.18 -3.36 0.08 0.00 1.34 0.00 0.00 72.50 70.38 3kwh s THR 288 CO -0.03 -0.50 1.09 0.00 -0.54 0.00 0.00 174.62 174.65 3kwh s ALA 289 N -2.46 2.13 0.68 3.99 0.00 -1.26 -4.97 121.76 119.86 3kwh s ALA 289 Ca 0.64 -0.14 -0.17 0.00 0.00 0.00 0.00 51.96 52.28 3kwh s ALA 289 Cb -0.16 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 19.83 3kwh s ALA 289 CO 0.38 -1.83 1.28 -2.14 0.00 0.00 0.00 175.76 173.44 3kwh s PRO 290 N -5.09 2.39 0.37 0.00 0.02 -1.26 -4.78 135.00 126.64 3kwh s PRO 290 Ca 0.61 2.01 0.08 0.00 0.02 0.00 0.00 61.00 63.72 3kwh s PRO 290 Cb -0.15 -1.83 0.80 0.00 0.02 0.00 0.00 34.50 33.33 3kwh s PRO 290 CO 0.55 -1.71 1.92 0.00 -0.33 0.00 0.00 177.00 177.43 3kwh h ALA 291 N 0.29 1.79 0.00 -1.55 0.00 -1.99 0.85 119.26 118.66 3kwh h ALA 291 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3kwh h ALA 291 Cb 1.33 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3kwh h ALA 291 CO 0.52 0.04 0.00 -1.13 0.00 0.00 0.00 179.25 178.68 3kwh n SER 292 N -4.51 0.00 -0.10 0.00 3.41 -1.26 -1.70 113.62 109.46 3kwh n SER 292 Ca 0.13 0.26 -0.12 0.00 -0.26 0.00 0.00 58.87 58.88 3kwh n SER 292 Cb 0.35 -0.39 -0.15 0.00 -0.26 0.00 0.00 64.21 63.76 3kwh n SER 292 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3kwh n MET 293 N -1.39 0.68 0.07 4.33 2.00 0.18 -4.43 117.12 118.55 3kwh n MET 293 Ca 0.06 0.06 0.07 0.00 0.00 0.00 0.00 57.70 57.90 3kwh n MET 293 Cb 0.17 -1.54 0.34 0.00 0.00 0.00 0.00 33.22 32.18 3kwh n MET 293 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3kwh n LEU 294 N -2.92 0.29 -0.06 4.03 4.32 -0.50 -3.21 117.00 118.96 3kwh n LEU 294 Ca -0.35 0.60 -0.08 0.00 -0.02 0.00 0.00 56.01 56.15 3kwh n LEU 294 Cb 1.11 -0.59 -0.02 0.00 -1.62 0.00 0.00 43.42 42.30 3kwh n LEU 294 CO 0.39 -0.54 0.91 0.40 -1.22 0.00 0.00 177.39 177.33 3kwh h ILE 295 N 0.00 0.92 -1.20 -0.08 2.04 -1.76 -3.47 117.51 113.97 3kwh h ILE 295 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3kwh h ILE 295 Cb 0.16 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3kwh h ILE 295 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 178.15 178.79 3kwh n GLY 296 N -1.18 5.42 3.76 5.37 0.00 -1.20 -5.13 105.19 112.23 3kwh n GLY 296 Ca -0.02 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.12 3kwh n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kwh s ASP 297 N 0.98 7.11 0.21 1.61 1.11 -1.26 -4.98 116.67 121.45 3kwh s ASP 297 Ca 0.00 2.37 -0.09 0.00 0.18 0.00 0.00 52.55 55.00 3kwh s ASP 297 Cb 0.00 -2.63 -0.01 0.00 1.07 0.00 0.00 42.92 41.35 3kwh s ASP 297 CO 0.00 -0.29 0.35 -1.38 1.18 0.00 0.00 175.17 175.03 3kwh s HIS 298 N -0.91 0.51 0.18 4.23 -3.43 -1.26 -1.04 115.29 113.57 3kwh s HIS 298 Ca 0.47 -0.84 0.09 0.00 -0.80 0.00 0.00 55.06 53.98 3kwh s HIS 298 Cb -0.34 -0.03 -0.04 0.00 -1.43 0.00 0.00 32.58 30.74 3kwh s HIS 298 CO 0.43 -0.84 -0.19 0.71 -2.00 0.00 0.00 174.74 172.85 3kwh s TYR 299 N -4.02 1.94 -0.34 0.38 2.02 0.16 -4.84 117.35 112.65 3kwh s TYR 299 Ca 0.23 -0.44 -0.17 0.00 -0.37 0.00 0.00 57.07 56.32 3kwh s TYR 299 Cb 0.02 -0.96 -0.01 0.00 -0.40 0.00 0.00 41.96 40.62 3kwh s TYR 299 CO 0.06 0.38 0.47 -1.17 -1.57 0.00 0.00 175.55 173.73 3kwh s LEU 300 N -2.72 4.33 -0.23 -1.29 0.20 -1.26 -1.62 118.68 116.09 3kwh s LEU 300 Ca 0.18 -0.01 -0.16 0.00 0.69 0.00 0.00 54.13 54.82 3kwh s LEU 300 Cb -0.06 -2.53 -0.12 0.00 -0.43 0.00 0.00 46.19 43.06 3kwh s LEU 300 CO 0.08 -0.42 -0.20 0.00 -0.29 0.00 0.00 176.35 175.52 3kwh s ASP 302 N -6.87 1.32 -0.09 0.00 2.15 -1.19 -4.79 116.67 107.21 3kwh s ASP 302 Ca -0.32 -0.42 0.02 0.00 0.43 0.00 0.00 52.55 52.26 3kwh s ASP 302 Cb 0.09 -0.07 0.01 0.00 -0.30 0.00 0.00 42.92 42.66 3kwh s ASP 302 CO 0.47 -0.01 -0.14 -0.69 -0.17 0.00 0.00 175.17 174.64 3kwh s VAL 303 N -0.84 1.34 -0.11 1.11 1.01 -1.26 -1.10 120.40 120.55 3kwh s VAL 303 Ca -0.01 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 3kwh s VAL 303 Cb -0.07 -1.23 0.05 0.00 0.00 0.00 0.00 36.38 35.13 3kwh s VAL 303 CO 0.01 0.41 0.22 -0.89 0.00 0.00 0.00 175.10 174.84 3kwh s THR 304 N 0.89 -0.25 0.08 3.92 2.01 -0.17 -5.01 115.64 117.11 3kwh s THR 304 Ca -0.09 0.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.87 3kwh s THR 304 Cb -0.15 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 71.94 3kwh s THR 304 CO 0.01 0.11 1.08 0.26 -0.69 0.00 0.00 174.62 175.38 3kwh s TRP 305 N 1.99 3.59 -0.22 4.92 0.52 -1.26 -0.51 118.94 127.98 3kwh s TRP 305 Ca -0.02 1.56 -0.17 0.00 0.02 0.00 0.00 56.10 57.49 3kwh s TRP 305 Cb -0.12 -3.25 -0.14 0.00 -1.15 0.00 0.00 33.47 28.82 3kwh s TRP 305 CO -0.08 -0.54 -0.06 0.00 0.02 0.00 0.00 176.95 176.29 3kwh n ALA 306 N 3.36 0.88 -3.95 0.98 0.00 0.25 -4.92 120.51 117.11 3kwh n ALA 306 Ca 0.06 -0.70 -0.17 0.00 0.00 0.00 0.00 53.44 52.62 3kwh n ALA 306 Cb 0.48 -0.22 -0.05 0.00 0.00 0.00 0.00 19.45 19.65 3kwh n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kwh n THR 307 N -4.40 0.00 0.33 0.00 -2.24 -1.08 -4.71 114.28 102.18 3kwh n THR 307 Ca -0.35 -1.82 0.18 0.00 -2.27 0.00 0.00 64.05 59.80 3kwh n THR 307 Cb 0.68 0.94 0.98 0.00 -2.10 0.00 0.00 70.33 70.83 3kwh n THR 307 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3kwh h GLN 308 N 0.00 0.00 0.00 -0.78 1.08 -1.96 -2.29 115.11 111.16 3kwh h GLN 308 Ca -0.19 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 3kwh h GLN 308 Cb 0.94 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.37 3kwh h GLN 308 CO 0.27 0.00 -0.21 0.39 -0.95 0.00 0.00 178.83 178.33 3kwh n GLU 309 N -3.00 0.51 -4.22 1.46 1.02 -1.26 -4.91 120.64 110.23 3kwh n GLU 309 Ca -0.02 -1.10 -0.21 0.00 -0.02 0.00 0.00 57.16 55.81 3kwh n GLU 309 Cb 0.26 -0.69 -0.16 0.00 -0.02 0.00 0.00 31.44 30.83 3kwh n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3kwh s ARG 310 N -0.50 1.04 0.00 3.49 3.52 -0.86 -1.62 118.95 124.03 3kwh s ARG 310 Ca 0.04 -0.17 0.08 0.00 -0.13 0.00 0.00 55.73 55.55 3kwh s ARG 310 Cb 0.04 -1.01 -0.02 0.00 -1.56 0.00 0.00 34.95 32.40 3kwh s ARG 310 CO 0.00 -0.08 -0.24 0.42 -0.81 0.00 0.00 175.30 174.59 3kwh s ILE 311 N 0.95 1.93 -0.15 4.11 1.01 0.05 -0.58 121.20 128.52 3kwh s ILE 311 Ca -0.10 -1.12 -0.04 0.00 0.00 0.00 0.00 60.65 59.38 3kwh s ILE 311 Cb -0.14 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 3kwh s ILE 311 CO 0.00 0.47 -0.02 -0.55 0.00 0.00 0.00 174.94 174.84 3kwh s SER 312 N -0.77 4.99 -0.05 3.58 0.15 0.34 -0.50 113.70 121.44 3kwh s SER 312 Ca 0.10 -0.06 0.02 0.00 0.70 0.00 0.00 55.95 56.71 3kwh s SER 312 Cb -0.09 -1.77 0.01 0.00 -1.71 0.00 0.00 66.02 62.46 3kwh s SER 312 CO -0.00 0.20 -0.10 -0.76 1.20 0.00 0.00 173.24 173.77 3kwh s LEU 313 N 0.20 1.65 -0.03 3.45 1.43 -0.42 -1.00 118.68 123.96 3kwh s LEU 313 Ca -0.01 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 3kwh s LEU 313 Cb -0.13 -0.70 -0.03 0.00 0.03 0.00 0.00 46.19 45.35 3kwh s LEU 313 CO 0.02 0.04 -0.00 -1.10 0.23 0.00 0.00 176.35 175.54 3kwh s GLN 314 N 0.53 2.83 0.20 1.70 -0.21 -0.26 -0.40 119.66 124.06 3kwh s GLN 314 Ca -0.10 -0.55 0.05 0.00 0.02 0.00 0.00 55.36 54.77 3kwh s GLN 314 Cb -0.13 -2.69 -0.05 0.00 1.00 0.00 0.00 33.01 31.13 3kwh s GLN 314 CO 0.02 0.65 -0.06 -1.58 -2.12 0.00 0.00 175.29 172.20 3kwh s TRP 315 N -1.02 1.51 -0.10 0.91 0.52 -0.36 -1.45 118.94 118.96 3kwh s TRP 315 Ca 0.17 -0.81 -0.08 0.00 0.02 0.00 0.00 56.10 55.41 3kwh s TRP 315 Cb -0.11 -0.82 0.03 0.00 -1.15 0.00 0.00 33.47 31.42 3kwh s TRP 315 CO 0.08 0.07 0.26 -1.17 0.02 0.00 0.00 176.95 176.21 3kwh s LEU 316 N -3.27 0.73 0.32 2.99 0.20 -0.64 -1.37 118.68 117.64 3kwh s LEU 316 Ca 0.24 0.54 -0.26 0.00 0.69 0.00 0.00 54.13 55.34 3kwh s LEU 316 Cb 0.04 0.85 -0.10 0.00 -0.43 0.00 0.00 46.19 46.55 3kwh s LEU 316 CO 0.06 -0.12 0.95 -0.13 -0.29 0.00 0.00 176.35 176.82 3kwh s ARG 317 N 0.62 4.59 0.32 1.98 0.52 -0.98 0.36 118.95 126.37 3kwh s ARG 317 Ca -0.04 1.37 0.07 0.00 -0.52 0.00 0.00 55.73 56.61 3kwh s ARG 317 Cb -0.05 -2.85 0.91 0.00 0.52 0.00 0.00 34.95 33.48 3kwh s ARG 317 CO -0.04 0.28 1.59 -0.09 0.02 0.00 0.00 175.30 177.07 3kwh h ARG 318 N 3.26 0.05 -6.49 3.54 2.43 -1.41 -1.63 114.38 114.13 3kwh h ARG 318 Ca -0.47 -0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.15 3kwh h ARG 318 Cb 1.19 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.66 3kwh h ARG 318 CO 0.65 0.04 1.03 0.42 -1.51 0.00 0.00 179.97 180.59 3kwh s ILE 319 N -5.86 3.89 0.00 1.20 1.01 -1.26 -4.83 121.20 115.36 3kwh s ILE 319 Ca -0.12 0.74 -0.03 0.00 0.00 0.00 0.00 60.65 61.24 3kwh s ILE 319 Cb 0.30 -4.71 -0.15 0.00 0.01 0.00 0.00 42.46 37.92 3kwh s ILE 319 CO 0.78 -1.42 2.72 0.00 0.00 0.00 0.00 174.94 177.02 3kwh n GLN 320 N 8.71 1.45 -0.08 2.79 6.02 -0.61 -3.93 117.38 131.73 3kwh n GLN 320 Ca 0.08 -0.54 0.06 0.00 -0.01 0.00 0.00 57.00 56.59 3kwh n GLN 320 Cb 0.49 -1.59 0.09 0.00 1.02 0.00 0.00 30.24 30.26 3kwh n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3kwh n ASN 321 N 2.14 2.38 -3.72 1.08 0.23 -1.26 -2.72 115.26 113.39 3kwh n ASN 321 Ca 0.23 -1.70 -0.13 0.00 -0.53 0.00 0.00 54.58 52.45 3kwh n ASN 321 Cb 0.68 -0.10 -0.13 0.00 -2.08 0.00 0.00 39.78 38.14 3kwh n ASN 321 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3kwh s TYR 322 N -0.97 -0.31 0.03 -2.53 6.14 -1.25 -2.63 117.35 115.83 3kwh s TYR 322 Ca 0.18 0.76 0.01 0.00 0.64 0.00 0.00 57.07 58.65 3kwh s TYR 322 Cb 0.11 0.01 -0.02 0.00 0.42 0.00 0.00 41.96 42.48 3kwh s TYR 322 CO 0.15 -0.24 -0.05 -1.54 0.64 0.00 0.00 175.55 174.51 3kwh s SER 323 N 1.37 0.51 -0.12 4.32 1.04 -0.13 -2.32 113.70 118.38 3kwh s SER 323 Ca -0.08 -0.45 0.01 0.00 0.48 0.00 0.00 55.95 55.91 3kwh s SER 323 Cb -0.11 0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.08 3kwh s SER 323 CO -0.08 -0.20 -0.13 -0.69 0.98 0.00 0.00 173.24 173.11 3kwh s VAL 324 N -1.20 1.39 -0.18 5.02 1.01 -0.47 -1.30 120.40 124.67 3kwh s VAL 324 Ca -0.11 -0.55 -0.18 0.00 0.00 0.00 0.00 61.98 61.15 3kwh s VAL 324 Cb -0.09 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3kwh s VAL 324 CO -0.00 0.42 0.47 -0.32 0.00 0.00 0.00 175.10 175.67 3kwh s MET 325 N 1.26 4.23 -0.09 2.72 1.75 0.81 -1.22 119.30 128.76 3kwh s MET 325 Ca -0.01 0.36 0.00 0.00 -1.25 0.00 0.00 55.69 54.79 3kwh s MET 325 Cb -0.14 -3.51 -0.03 0.00 2.84 0.00 0.00 34.83 33.99 3kwh s MET 325 CO -0.05 -0.02 -0.09 0.34 -0.65 0.00 0.00 175.02 174.55 3kwh s ASP 326 N 0.95 4.45 -0.25 1.11 2.15 0.46 -0.71 116.67 124.83 3kwh s ASP 326 Ca 0.23 -0.13 -0.01 0.00 0.43 0.00 0.00 52.55 53.07 3kwh s ASP 326 Cb -0.15 -1.30 0.03 0.00 -0.30 0.00 0.00 42.92 41.20 3kwh s ASP 326 CO 0.09 0.29 -0.07 -0.63 -0.17 0.00 0.00 175.17 174.68 3kwh s ILE 327 N -0.38 2.79 -0.10 4.11 1.01 -1.26 -1.31 121.20 126.07 3kwh s ILE 327 Ca 0.05 -1.10 0.03 0.00 0.00 0.00 0.00 60.65 59.63 3kwh s ILE 327 Cb -0.12 -2.44 -0.01 0.00 0.01 0.00 0.00 42.46 39.90 3kwh s ILE 327 CO 0.02 0.17 -0.21 0.00 0.00 0.00 0.00 174.94 174.92 3kwh s ASP 329 N 0.21 3.81 0.21 0.00 1.01 -0.44 -0.77 116.67 120.70 3kwh s ASP 329 Ca -0.13 -0.38 -0.30 0.00 0.71 0.00 0.00 52.55 52.45 3kwh s ASP 329 Cb -0.16 -0.65 -0.08 0.00 1.01 0.00 0.00 42.92 43.04 3kwh s ASP 329 CO 0.07 0.28 1.06 -0.47 0.21 0.00 0.00 175.17 176.32 3kwh s TYR 330 N -0.87 3.67 -0.58 4.23 5.04 -0.64 -1.00 117.35 127.21 3kwh s TYR 330 Ca 0.14 1.70 -0.11 0.00 -2.44 0.00 0.00 57.07 56.36 3kwh s TYR 330 Cb -0.10 -3.21 0.15 0.00 0.35 0.00 0.00 41.96 39.14 3kwh s TYR 330 CO 0.04 -0.35 0.48 0.34 -1.34 0.00 0.00 175.55 174.72 3kwh s ASP 331 N -0.47 5.96 0.36 4.32 -1.08 -0.97 -4.96 116.67 119.83 3kwh s ASP 331 Ca 0.47 -2.17 0.19 0.00 -0.52 0.00 0.00 52.55 50.51 3kwh s ASP 331 Cb -0.29 -2.07 1.26 0.00 -1.46 0.00 0.00 42.92 40.35 3kwh s ASP 331 CO 0.36 -0.66 1.61 -0.08 0.52 0.00 0.00 175.17 176.91 3kwh h GLU 332 N 8.22 0.10 0.00 4.34 4.81 -1.95 0.47 114.58 130.57 3kwh h GLU 332 Ca -0.14 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3kwh h GLU 332 Cb 1.06 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.41 3kwh h GLU 332 CO 0.86 0.07 -0.04 0.66 -0.73 0.00 0.00 179.01 179.83 3kwh h SER 333 N 0.10 0.00 -1.06 1.04 4.64 -1.98 -3.35 113.55 112.94 3kwh h SER 333 Ca 0.81 0.00 0.30 0.00 -0.47 0.00 0.00 61.79 62.43 3kwh h SER 333 Cb 2.05 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 64.02 3kwh h SER 333 CO -0.72 0.27 0.65 -1.28 -0.87 0.00 0.00 176.83 174.87 3kwh h SER 334 N -0.50 0.50 0.00 4.97 0.87 -1.85 -3.45 113.55 114.10 3kwh h SER 334 Ca 0.00 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3kwh h SER 334 Cb 0.04 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 3kwh h SER 334 CO 0.00 -0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 3kwh n GLY 335 N -1.38 1.23 0.00 5.77 0.00 0.16 -5.04 105.19 105.92 3kwh n GLY 335 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 3kwh n GLY 335 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kwh n ARG 336 N -2.00 1.78 -3.69 1.61 1.74 -1.25 -4.79 116.66 110.05 3kwh n ARG 336 Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 3kwh n ARG 336 Cb 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.28 3kwh n ARG 336 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3kwh s TRP 337 N 0.93 -0.08 -0.01 -1.55 0.52 -1.26 -2.29 118.94 115.20 3kwh s TRP 337 Ca 0.00 0.42 0.05 0.00 0.02 0.00 0.00 56.10 56.60 3kwh s TRP 337 Cb 0.00 -0.29 -0.03 0.00 -1.15 0.00 0.00 33.47 32.00 3kwh s TRP 337 CO 0.00 -0.21 -0.17 -0.80 0.02 0.00 0.00 176.95 175.79 3kwh s ASN 338 N 1.91 3.79 -0.33 2.95 0.01 -0.17 -4.86 114.94 118.24 3kwh s ASN 338 Ca 0.00 -0.32 0.03 0.00 -0.71 0.00 0.00 52.86 51.86 3kwh s ASN 338 Cb -0.12 -0.68 0.10 0.00 0.41 0.00 0.00 41.25 40.96 3kwh s ASN 338 CO -0.05 0.31 0.06 0.00 -1.51 0.00 0.00 177.10 175.92 3kwh s LEU 340 N 1.06 3.45 0.66 0.00 2.96 -1.26 -4.84 118.68 120.72 3kwh s LEU 340 Ca 0.11 0.95 0.09 0.00 -0.22 0.00 0.00 54.13 55.06 3kwh s LEU 340 Cb -0.19 -3.22 0.47 0.00 0.50 0.00 0.00 46.19 43.75 3kwh s LEU 340 CO -0.12 -1.87 1.26 0.58 -1.32 0.00 0.00 176.35 174.87 3kwh h VAL 341 N 6.78 0.00 0.00 1.68 2.07 -1.97 0.20 116.25 125.02 3kwh h VAL 341 Ca -0.30 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 66.99 3kwh h VAL 341 Cb 1.16 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3kwh h VAL 341 CO 1.10 0.00 -1.15 0.00 0.02 0.00 0.00 177.57 177.53 3kwh h ALA 342 N 0.38 0.49 -0.34 1.67 0.00 -2.00 -3.11 119.26 116.34 3kwh h ALA 342 Ca 0.02 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.92 3kwh h ALA 342 Cb 1.68 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3kwh h ALA 342 CO -0.00 1.28 0.00 2.89 0.00 0.00 0.00 179.25 183.42 3kwh n ARG 343 N -3.25 1.90 -1.73 0.00 0.00 0.71 -4.92 116.66 109.37 3kwh n ARG 343 Ca -0.04 -1.39 -0.42 0.00 -0.00 0.00 0.00 57.85 56.00 3kwh n ARG 343 Cb 0.95 -1.34 -0.01 0.00 -0.00 0.00 0.00 32.46 32.06 3kwh n ARG 343 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 3kwh n GLN 344 N 0.62 2.47 -5.02 2.89 6.02 -1.18 -4.67 117.38 118.51 3kwh n GLN 344 Ca 0.14 0.87 -0.32 0.00 -0.01 0.00 0.00 57.00 57.68 3kwh n GLN 344 Cb 0.34 -2.57 -0.15 0.00 1.02 0.00 0.00 30.24 28.88 3kwh n GLN 344 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3kwh s HIS 345 N -0.62 2.64 0.02 1.08 3.76 0.11 -4.96 115.29 117.32 3kwh s HIS 345 Ca 0.59 -0.67 0.01 0.00 -0.15 0.00 0.00 55.06 54.84 3kwh s HIS 345 Cb -0.53 -1.72 -0.04 0.00 1.11 0.00 0.00 32.58 31.41 3kwh s HIS 345 CO 0.57 -0.19 0.04 0.42 -0.85 0.00 0.00 174.74 174.73 3kwh s ILE 346 N 0.04 4.40 -0.07 0.60 1.01 -1.26 -0.13 121.20 125.79 3kwh s ILE 346 Ca -0.07 -0.59 -0.00 0.00 0.00 0.00 0.00 60.65 59.99 3kwh s ILE 346 Cb -0.15 -3.02 0.02 0.00 0.01 0.00 0.00 42.46 39.33 3kwh s ILE 346 CO 0.05 0.30 -0.03 -1.61 0.00 0.00 0.00 174.94 173.65 3kwh s GLU 347 N -1.82 0.88 0.04 2.79 2.02 -0.42 -5.00 118.70 117.19 3kwh s GLU 347 Ca 0.23 -0.06 0.04 0.00 0.02 0.00 0.00 54.97 55.21 3kwh s GLU 347 Cb -0.12 -1.02 -0.02 0.00 0.10 0.00 0.00 34.13 33.07 3kwh s GLU 347 CO 0.14 -0.19 -0.13 -1.64 0.02 0.00 0.00 175.26 173.46 3kwh s MET 348 N 1.43 0.87 -0.06 1.61 -1.94 -1.26 -0.96 119.30 118.98 3kwh s MET 348 Ca -0.03 -0.74 0.03 0.00 -1.71 0.00 0.00 55.69 53.25 3kwh s MET 348 Cb -0.13 -0.85 -0.02 0.00 2.01 0.00 0.00 34.83 35.83 3kwh s MET 348 CO -0.03 0.21 -0.14 0.45 -0.01 0.00 0.00 175.02 175.49 3kwh s SER 349 N -1.15 4.00 -0.17 3.03 0.15 -1.08 -5.02 113.70 113.46 3kwh s SER 349 Ca 0.00 -0.22 -0.02 0.00 0.70 0.00 0.00 55.95 56.42 3kwh s SER 349 Cb -0.08 -0.93 -0.23 0.00 -1.71 0.00 0.00 66.02 63.08 3kwh s SER 349 CO 0.01 0.32 0.15 0.41 1.20 0.00 0.00 173.24 175.33 3kwh n THR 350 N 2.46 1.65 1.10 6.45 -1.04 -1.26 -4.51 114.28 119.13 3kwh n THR 350 Ca -0.17 -0.64 0.12 0.00 -2.04 0.00 0.00 64.05 61.32 3kwh n THR 350 Cb 0.52 -1.54 0.24 0.00 -1.82 0.00 0.00 70.33 67.73 3kwh n THR 350 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3kwh n THR 351 N -3.35 0.00 0.00 12.58 -2.24 -1.26 -5.02 114.28 114.99 3kwh n THR 351 Ca -0.37 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3kwh n THR 351 Cb 1.03 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 3kwh n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kwh n GLY 352 N 1.43 0.77 3.83 3.38 0.00 -1.26 -4.85 105.19 108.49 3kwh n GLY 352 Ca 0.08 0.28 -0.23 0.00 0.00 0.00 0.00 46.02 46.15 3kwh n GLY 352 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3kwh n TRP 353 N 0.00 -1.26 -3.85 1.61 2.14 -1.26 -4.67 117.44 110.15 3kwh n TRP 353 Ca 0.00 -2.23 -0.36 0.00 2.07 0.00 0.00 57.50 56.98 3kwh n TRP 353 Cb 0.00 -0.49 -0.11 0.00 -0.81 0.00 0.00 31.31 29.90 3kwh n TRP 353 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 3kwh s VAL 354 N -2.67 4.73 0.05 -1.67 1.01 -1.10 -4.72 120.40 116.03 3kwh s VAL 354 Ca 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.36 3kwh s VAL 354 Cb -0.03 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.17 3kwh s VAL 354 CO 0.27 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.36 3kwh n GLY 355 N 4.28 -2.06 0.00 4.51 0.00 -1.25 -3.43 105.19 107.24 3kwh n GLY 355 Ca -0.16 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.46 3kwh n GLY 355 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kwh n ARG 356 N -1.36 0.00 0.00 1.61 1.74 -1.26 -4.52 116.66 112.88 3kwh n ARG 356 Ca 0.00 0.39 0.06 0.00 -0.77 0.00 0.00 57.85 57.52 3kwh n ARG 356 Cb 0.11 -0.98 0.04 0.00 -1.02 0.00 0.00 32.46 30.61 3kwh n ARG 356 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3kwh n PHE 357 N -1.66 0.00 -3.67 -1.55 3.72 -1.26 -4.94 117.46 108.10 3kwh n PHE 357 Ca 0.00 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.43 3kwh n PHE 357 Cb 0.00 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3kwh n PHE 357 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3kwh s ARG 358 N -0.98 0.27 0.18 -1.08 1.70 -1.26 -4.99 118.95 112.79 3kwh s ARG 358 Ca 0.12 -0.16 -0.33 0.00 -0.47 0.00 0.00 55.73 54.90 3kwh s ARG 358 Cb 0.09 0.09 -0.13 0.00 -0.57 0.00 0.00 34.95 34.44 3kwh s ARG 358 CO 0.15 -0.13 1.69 -2.30 -1.08 0.00 0.00 175.30 173.64 3kwh n PRO 359 N -0.57 2.58 -1.35 3.89 -0.02 -1.22 -3.90 135.00 134.40 3kwh n PRO 359 Ca -0.07 0.93 -0.33 0.00 -2.02 0.00 0.00 63.50 62.01 3kwh n PRO 359 Cb 0.62 -2.76 0.10 0.00 -0.02 0.00 0.00 33.50 31.44 3kwh n PRO 359 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kwh s SER 360 N 1.26 4.13 0.11 2.55 1.04 -1.26 -4.95 113.70 116.58 3kwh s SER 360 Ca 0.77 2.25 -0.22 0.00 0.48 0.00 0.00 55.95 59.23 3kwh s SER 360 Cb -0.56 -2.58 -0.07 0.00 0.10 0.00 0.00 66.02 62.91 3kwh s SER 360 CO 0.35 -2.30 0.66 -0.70 0.98 0.00 0.00 173.24 172.23 3kwh s GLU 361 N -4.12 4.36 0.22 4.02 2.12 -1.26 -4.87 118.70 119.17 3kwh s GLU 361 Ca 0.71 0.92 -0.18 0.00 0.36 0.00 0.00 54.97 56.79 3kwh s GLU 361 Cb -0.26 -3.25 -0.08 0.00 0.26 0.00 0.00 34.13 30.80 3kwh s GLU 361 CO 0.47 0.61 0.68 -1.25 -0.54 0.00 0.00 175.26 175.23 3kwh s PRO 362 N -1.11 4.14 -0.23 4.30 0.04 -1.26 -4.53 135.00 136.35 3kwh s PRO 362 Ca 0.32 0.74 0.02 0.00 0.04 0.00 0.00 61.00 62.12 3kwh s PRO 362 Cb -0.21 -2.82 0.04 0.00 0.04 0.00 0.00 34.50 31.55 3kwh s PRO 362 CO 0.22 0.38 -0.14 -1.01 0.04 0.00 0.00 177.00 176.49 3kwh s HIS 363 N -1.58 3.06 -0.02 0.56 3.76 0.52 -4.93 115.29 116.65 3kwh s HIS 363 Ca 0.43 -1.99 -0.13 0.00 -0.15 0.00 0.00 55.06 53.22 3kwh s HIS 363 Cb -0.15 -1.94 -0.05 0.00 1.11 0.00 0.00 32.58 31.55 3kwh s HIS 363 CO 0.20 -0.84 0.36 -0.06 -0.85 0.00 0.00 174.74 173.55 3kwh s PHE 364 N 1.19 3.70 0.85 1.40 0.08 -1.26 -0.16 117.98 123.79 3kwh s PHE 364 Ca -0.03 0.91 -0.11 0.00 0.12 0.00 0.00 56.93 57.82 3kwh s PHE 364 Cb -0.17 -2.23 0.10 0.00 -0.57 0.00 0.00 43.02 40.16 3kwh s PHE 364 CO -0.08 0.65 1.10 0.95 -0.10 0.00 0.00 175.22 177.74 3kwh s THR 365 N -1.04 2.87 0.53 0.64 -4.23 0.02 -4.87 115.64 109.56 3kwh s THR 365 Ca 0.22 0.28 0.19 0.00 -1.18 0.00 0.00 61.69 61.20 3kwh s THR 365 Cb -0.16 -2.70 0.29 0.00 1.34 0.00 0.00 72.50 71.28 3kwh s THR 365 CO 0.12 -0.37 2.16 -0.07 -0.54 0.00 0.00 174.62 175.91 3kwh h LEU 366 N -1.44 0.00 0.00 4.79 3.38 -1.92 -1.68 115.31 118.43 3kwh h LEU 366 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3kwh h LEU 366 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3kwh h LEU 366 CO 0.52 0.00 -0.35 -2.24 0.09 0.00 0.00 178.44 176.46 3kwh h ASP 367 N 0.00 0.00 0.00 -0.43 3.04 -1.91 -3.47 116.42 113.64 3kwh h ASP 367 Ca 0.02 -0.05 0.00 0.00 -3.24 0.00 0.00 57.03 53.76 3kwh h ASP 367 Cb 0.07 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.36 3kwh h ASP 367 CO -0.00 0.02 0.00 0.61 -2.04 0.00 0.00 179.24 177.83 3kwh n GLY 368 N 1.22 0.35 0.03 7.15 0.00 -0.63 -4.93 105.19 108.38 3kwh n GLY 368 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 3kwh n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kwh n ASN 369 N 0.00 0.37 -3.70 1.61 3.02 -1.26 -4.84 115.26 110.45 3kwh n ASN 369 Ca 0.00 0.29 -0.10 0.00 -0.03 0.00 0.00 54.58 54.74 3kwh n ASN 369 Cb 0.00 -0.29 -0.05 0.00 -0.61 0.00 0.00 39.78 38.82 3kwh n ASN 369 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3kwh s SER 370 N -3.46 -0.13 0.14 6.41 1.04 -1.26 -0.04 113.70 116.40 3kwh s SER 370 Ca 0.12 -0.42 -0.09 0.00 0.48 0.00 0.00 55.95 56.03 3kwh s SER 370 Cb 0.17 0.43 -0.00 0.00 0.10 0.00 0.00 66.02 66.71 3kwh s SER 370 CO 0.61 -0.82 0.26 0.72 0.98 0.00 0.00 173.24 174.99 3kwh s PHE 371 N -3.82 0.30 0.12 5.02 -0.12 -0.50 -0.80 117.98 118.19 3kwh s PHE 371 Ca 0.04 -0.68 0.10 0.00 -0.05 0.00 0.00 56.93 56.34 3kwh s PHE 371 Cb 0.03 -0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.34 3kwh s PHE 371 CO -0.12 -0.67 -0.23 0.71 -0.05 0.00 0.00 175.22 174.87 3kwh s TYR 372 N -3.93 2.42 -0.21 3.49 1.51 0.77 -1.33 117.35 120.08 3kwh s TYR 372 Ca 0.13 -0.32 -0.27 0.00 -1.01 0.00 0.00 57.07 55.60 3kwh s TYR 372 Cb 0.04 -1.30 0.09 0.00 -0.11 0.00 0.00 41.96 40.68 3kwh s TYR 372 CO -0.04 0.36 0.82 0.21 -1.11 0.00 0.00 175.55 175.79 3kwh s LYS 373 N -2.10 0.78 -0.06 -0.62 2.20 -0.91 -0.35 119.74 118.68 3kwh s LYS 373 Ca 0.16 0.63 -0.27 0.00 -0.36 0.00 0.00 55.97 56.13 3kwh s LYS 373 Cb -0.10 0.38 -0.03 0.00 -1.51 0.00 0.00 37.83 36.56 3kwh s LYS 373 CO 0.08 -0.15 0.88 0.42 -0.36 0.00 0.00 175.35 176.22 3kwh s ILE 374 N -0.19 4.91 0.04 5.43 1.01 -1.26 -1.96 121.20 129.19 3kwh s ILE 374 Ca -0.02 1.82 0.02 0.00 0.00 0.00 0.00 60.65 62.47 3kwh s ILE 374 Cb -0.03 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.20 3kwh s ILE 374 CO 0.01 0.15 -0.08 -0.63 0.00 0.00 0.00 174.94 174.40 3kwh s ILE 375 N 1.23 0.54 0.10 2.92 -1.09 -0.32 -4.57 121.20 120.00 3kwh s ILE 375 Ca 0.45 -1.12 -0.30 0.00 -2.23 0.00 0.00 60.65 57.45 3kwh s ILE 375 Cb -0.19 -0.66 -0.06 0.00 -1.58 0.00 0.00 42.46 39.97 3kwh s ILE 375 CO 0.22 -0.41 1.17 -0.55 -1.23 0.00 0.00 174.94 174.14 3kwh s SER 376 N -1.66 7.12 0.57 3.58 0.15 -1.26 -0.73 113.70 121.48 3kwh s SER 376 Ca -0.09 2.06 -0.01 0.00 0.70 0.00 0.00 55.95 58.61 3kwh s SER 376 Cb -0.09 -2.59 0.03 0.00 -1.71 0.00 0.00 66.02 61.66 3kwh s SER 376 CO 0.00 -0.40 0.21 -0.46 1.20 0.00 0.00 173.24 173.78 3kwh n ASN 377 N 3.41 0.20 0.24 5.45 2.04 0.11 -4.90 115.26 121.82 3kwh n ASN 377 Ca 0.07 -1.19 0.15 0.00 -0.44 0.00 0.00 54.58 53.17 3kwh n ASN 377 Cb 0.46 -0.14 0.48 0.00 -2.53 0.00 0.00 39.78 38.05 3kwh n ASN 377 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 3kwh h GLU 378 N 0.00 0.00 -0.00 -3.83 4.81 -1.96 -2.26 114.58 111.33 3kwh h GLU 378 Ca -0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3kwh h GLU 378 Cb 0.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3kwh h GLU 378 CO 0.07 0.00 -0.37 0.39 -0.73 0.00 0.00 179.01 178.37 3kwh n GLU 379 N -3.03 0.45 -0.23 1.92 4.71 -1.26 -4.94 120.64 118.26 3kwh n GLU 379 Ca 0.02 -0.26 0.00 0.00 -0.01 0.00 0.00 57.16 56.91 3kwh n GLU 379 Cb 0.39 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.32 3kwh n GLU 379 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kwh n GLY 380 N 1.41 1.00 3.56 0.62 0.00 -0.85 -4.85 105.19 106.10 3kwh n GLY 380 Ca 0.09 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 3kwh n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kwh s TYR 381 N -2.00 2.81 -0.30 1.61 1.51 -1.26 -0.33 117.35 119.39 3kwh s TYR 381 Ca 0.00 -0.09 -0.25 0.00 -1.01 0.00 0.00 57.07 55.72 3kwh s TYR 381 Cb 0.00 -1.58 0.00 0.00 -0.11 0.00 0.00 41.96 40.28 3kwh s TYR 381 CO 0.00 0.34 0.85 1.03 -1.11 0.00 0.00 175.55 176.67 3kwh s ARG 382 N -1.42 4.02 0.34 -0.62 0.52 -1.26 0.07 118.95 120.59 3kwh s ARG 382 Ca 0.17 0.74 0.04 0.00 -0.52 0.00 0.00 55.73 56.15 3kwh s ARG 382 Cb -0.11 -3.72 -0.04 0.00 0.52 0.00 0.00 34.95 31.61 3kwh s ARG 382 CO 0.07 -0.70 0.14 -1.01 0.02 0.00 0.00 175.30 173.83 3kwh s HIS 383 N 3.07 1.71 0.01 -0.53 3.76 0.09 -1.91 115.29 121.50 3kwh s HIS 383 Ca 0.35 -1.31 -0.23 0.00 -0.15 0.00 0.00 55.06 53.73 3kwh s HIS 383 Cb -0.14 -1.00 -0.05 0.00 1.11 0.00 0.00 32.58 32.50 3kwh s HIS 383 CO 0.12 -0.40 0.69 0.42 -0.85 0.00 0.00 174.74 174.72 3kwh s ILE 384 N -3.44 4.83 0.02 0.60 1.01 -1.26 -1.17 121.20 121.78 3kwh s ILE 384 Ca 0.32 1.45 0.07 0.00 0.00 0.00 0.00 60.65 62.50 3kwh s ILE 384 Cb 0.05 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 3kwh s ILE 384 CO 0.17 0.37 -0.21 0.00 0.00 0.00 0.00 174.94 175.27 3kwh s TYR 386 N -0.67 3.34 -0.08 0.00 5.04 0.43 -2.14 117.35 123.26 3kwh s TYR 386 Ca 0.08 0.21 0.04 0.00 -2.44 0.00 0.00 57.07 54.96 3kwh s TYR 386 Cb -0.09 -2.16 0.00 0.00 0.35 0.00 0.00 41.96 40.06 3kwh s TYR 386 CO 0.01 0.18 -0.22 -0.06 -1.34 0.00 0.00 175.55 174.12 3kwh s PHE 387 N 0.56 2.31 -0.11 4.97 0.40 -0.44 -0.90 117.98 124.75 3kwh s PHE 387 Ca 0.06 -0.89 -0.04 0.00 -0.60 0.00 0.00 56.93 55.47 3kwh s PHE 387 Cb -0.12 -1.55 -0.04 0.00 0.51 0.00 0.00 43.02 41.82 3kwh s PHE 387 CO 0.00 -0.35 0.04 -0.65 0.70 0.00 0.00 175.22 174.96 3kwh s GLN 388 N 0.31 3.30 0.26 0.44 -0.21 -1.26 -1.40 119.66 121.10 3kwh s GLN 388 Ca -0.15 -0.34 -0.03 0.00 0.02 0.00 0.00 55.36 54.86 3kwh s GLN 388 Cb -0.17 -2.96 0.41 0.00 1.00 0.00 0.00 33.01 31.29 3kwh s GLN 388 CO 0.07 0.61 1.87 0.82 -2.12 0.00 0.00 175.29 176.54 3kwh h ILE 389 N 4.31 1.05 -0.40 1.08 2.04 -0.81 -2.74 117.51 122.03 3kwh h ILE 389 Ca -0.48 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 3kwh h ILE 389 Cb 1.20 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3kwh h ILE 389 CO 0.59 0.20 0.02 0.47 0.00 0.00 0.00 178.15 179.43 3kwh n ASP 390 N -4.55 4.51 -4.52 1.72 8.00 -1.26 -4.66 116.55 115.78 3kwh n ASP 390 Ca 0.15 -3.04 -0.28 0.00 0.71 0.00 0.00 54.79 52.33 3kwh n ASP 390 Cb 0.21 -0.61 -0.10 0.00 -0.02 0.00 0.00 41.12 40.59 3kwh n ASP 390 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3kwh s LYS 391 N -2.85 1.90 0.92 -1.24 1.02 -1.04 -4.98 119.74 113.48 3kwh s LYS 391 Ca 0.47 -1.25 -0.12 0.00 0.02 0.00 0.00 55.97 55.10 3kwh s LYS 391 Cb 0.38 -2.12 0.15 0.00 -0.52 0.00 0.00 37.83 35.71 3kwh s LYS 391 CO 0.11 0.45 1.09 -1.59 -0.92 0.00 0.00 175.35 174.49 3kwh s LYS 392 N -2.51 1.02 0.53 1.68 -2.85 -1.26 -4.71 119.74 111.64 3kwh s LYS 392 Ca 0.22 0.82 0.00 0.00 -1.00 0.00 0.00 55.97 56.01 3kwh s LYS 392 Cb -0.10 -1.78 0.00 0.00 -2.06 0.00 0.00 37.83 33.89 3kwh s LYS 392 CO 0.13 -2.40 0.00 -0.25 0.10 0.00 0.00 175.35 172.92 3kwh n ASP 393 N -3.99 -4.14 -4.05 0.03 8.00 -1.26 -4.92 116.55 106.21 3kwh n ASP 393 Ca 0.07 0.52 -0.10 0.00 0.71 0.00 0.00 54.79 55.99 3kwh n ASP 393 Cb 0.55 -1.61 -0.08 0.00 -0.02 0.00 0.00 41.12 39.96 3kwh n ASP 393 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kwh s THR 395 N -4.02 3.67 -0.09 0.00 2.01 -0.08 -4.85 115.64 112.27 3kwh s THR 395 Ca 0.22 -0.42 -0.30 0.00 0.31 0.00 0.00 61.69 61.51 3kwh s THR 395 Cb 0.05 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 3kwh s THR 395 CO 0.02 0.46 1.21 -0.36 -0.69 0.00 0.00 174.62 175.26 3kwh s PHE 396 N 0.88 3.11 -1.69 4.92 0.08 -1.26 0.16 117.98 124.19 3kwh s PHE 396 Ca -0.01 1.18 0.20 0.00 0.12 0.00 0.00 56.93 58.42 3kwh s PHE 396 Cb -0.15 -3.43 -0.04 0.00 -0.57 0.00 0.00 43.02 38.83 3kwh s PHE 396 CO 0.01 -1.36 0.97 0.44 -0.10 0.00 0.00 175.22 175.19 3kwh n ILE 397 N 4.83 0.00 -4.06 0.64 -5.35 -0.62 -4.93 119.36 109.87 3kwh n ILE 397 Ca 0.12 -0.25 -0.12 0.00 -0.27 0.00 0.00 62.75 62.23 3kwh n ILE 397 Cb 0.46 1.20 -0.11 0.00 -1.74 0.00 0.00 39.64 39.44 3kwh n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3kwh s THR 398 N -2.36 0.49 0.24 7.28 -4.23 -1.24 -4.88 115.64 110.93 3kwh s THR 398 Ca 0.15 -1.17 -0.18 0.00 -1.18 0.00 0.00 61.69 59.31 3kwh s THR 398 Cb 0.16 -0.70 0.02 0.00 1.34 0.00 0.00 72.50 73.31 3kwh s THR 398 CO 0.56 -0.47 0.59 -0.54 -0.54 0.00 0.00 174.62 174.22 3kwh s LYS 399 N -1.88 1.59 0.00 3.99 1.02 -1.26 -4.47 119.74 118.74 3kwh s LYS 399 Ca -0.08 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 54.90 3kwh s LYS 399 Cb -0.08 0.55 0.00 0.00 -0.52 0.00 0.00 37.83 37.78 3kwh s LYS 399 CO -0.01 -0.70 0.00 0.41 -0.92 0.00 0.00 175.35 174.14 3kwh n GLY 400 N -0.40 2.89 2.92 -3.33 0.00 -1.26 -4.92 105.19 101.10 3kwh n GLY 400 Ca -0.05 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 3kwh n GLY 400 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kwh n THR 401 N -1.43 4.14 -4.01 2.61 -1.04 -1.26 -4.80 114.28 108.49 3kwh n THR 401 Ca 0.00 -4.13 0.03 0.00 -2.04 0.00 0.00 64.05 57.91 3kwh n THR 401 Cb 0.00 -2.42 0.01 0.00 -1.82 0.00 0.00 70.33 66.10 3kwh n THR 401 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 3kwh n TRP 402 N 4.68 -0.17 -3.95 -1.42 4.27 -1.26 -5.03 117.44 114.56 3kwh n TRP 402 Ca 0.42 -0.50 -0.10 0.00 -3.89 0.00 0.00 57.50 53.43 3kwh n TRP 402 Cb 0.38 0.22 -0.12 0.00 -1.36 0.00 0.00 31.31 30.43 3kwh n TRP 402 CO 0.00 0.00 0.00 -1.21 -2.29 0.00 0.00 177.69 174.19 3kwh s GLU 403 N -2.01 0.23 -0.00 -2.67 2.02 -1.26 -4.41 118.70 110.60 3kwh s GLU 403 Ca 0.26 -0.43 -0.30 0.00 0.02 0.00 0.00 54.97 54.52 3kwh s GLU 403 Cb -0.00 0.05 -0.04 0.00 0.10 0.00 0.00 34.13 34.24 3kwh s GLU 403 CO -0.02 -0.03 1.12 0.08 0.02 0.00 0.00 175.26 176.43 3kwh s VAL 404 N -1.00 4.40 -0.06 2.63 1.01 -0.80 -2.44 120.40 124.13 3kwh s VAL 404 Ca -0.11 1.72 -0.02 0.00 0.00 0.00 0.00 61.98 63.58 3kwh s VAL 404 Cb -0.07 -4.10 -0.26 0.00 0.00 0.00 0.00 36.38 31.94 3kwh s VAL 404 CO -0.01 0.08 0.60 0.40 0.00 0.00 0.00 175.10 176.17 3kwh h ILE 405 N 4.78 0.85 -2.11 2.22 2.04 0.88 -3.46 117.51 122.71 3kwh h ILE 405 Ca -0.38 -2.56 0.05 0.00 1.00 0.00 0.00 64.86 62.96 3kwh h ILE 405 Cb 1.19 2.58 -0.18 0.00 -0.74 0.00 0.00 36.82 39.67 3kwh h ILE 405 CO 0.82 0.78 0.40 -0.83 0.00 0.00 0.00 178.15 179.32 3kwh s GLY 406 N -5.26 -0.45 -0.17 5.37 0.00 -0.97 -4.97 107.32 100.85 3kwh s GLY 406 Ca -0.14 1.31 -0.17 0.00 0.00 0.00 0.00 44.72 45.72 3kwh s GLY 406 CO 0.81 0.65 0.43 -0.42 0.00 0.00 0.00 173.10 174.58 3kwh s ILE 407 N -2.19 5.19 -0.04 0.90 1.01 -1.26 -0.50 121.20 124.31 3kwh s ILE 407 Ca -0.01 0.81 0.10 0.00 0.00 0.00 0.00 60.65 61.55 3kwh s ILE 407 Cb -0.01 -3.77 -0.15 0.00 0.01 0.00 0.00 42.46 38.55 3kwh s ILE 407 CO -0.02 0.27 0.17 -0.62 0.00 0.00 0.00 174.94 174.74 3kwh n GLU 408 N 4.23 0.92 -3.59 2.79 -0.58 0.36 -4.95 120.64 119.82 3kwh n GLU 408 Ca -0.08 -0.07 -0.08 0.00 -0.42 0.00 0.00 57.16 56.51 3kwh n GLU 408 Cb 0.51 -1.24 -0.05 0.00 -0.57 0.00 0.00 31.44 30.09 3kwh n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kwh s ALA 409 N -2.58 -1.98 -0.05 0.62 0.00 -1.09 -4.80 121.76 111.89 3kwh s ALA 409 Ca -0.04 1.65 0.01 0.00 0.00 0.00 0.00 51.96 53.58 3kwh s ALA 409 Cb 0.05 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.32 3kwh s ALA 409 CO 0.42 -0.30 -0.05 -1.17 0.00 0.00 0.00 175.76 174.65 3kwh s LEU 410 N -1.13 1.35 0.30 0.00 1.98 -1.26 0.83 118.68 120.75 3kwh s LEU 410 Ca 0.01 -0.15 0.03 0.00 -2.89 0.00 0.00 54.13 51.13 3kwh s LEU 410 Cb -0.01 -0.50 -0.04 0.00 0.66 0.00 0.00 46.19 46.30 3kwh s LEU 410 CO -0.01 -0.05 0.17 0.42 -1.89 0.00 0.00 176.35 174.99 3kwh s THR 411 N 0.92 0.28 0.26 3.68 -4.23 -0.35 -4.95 115.64 111.25 3kwh s THR 411 Ca -0.11 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.38 3kwh s THR 411 Cb -0.14 -2.51 0.25 0.00 1.34 0.00 0.00 72.50 71.44 3kwh s THR 411 CO 0.00 0.00 1.70 0.28 -0.54 0.00 0.00 174.62 176.06 3kwh h SER 412 N 2.22 0.19 -0.01 3.99 0.02 -2.00 -3.13 113.55 114.84 3kwh h SER 412 Ca -0.33 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3kwh h SER 412 Cb 1.25 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.94 3kwh h SER 412 CO 0.51 0.01 -0.42 0.47 -1.14 0.00 0.00 176.83 176.26 3kwh n ASP 413 N -5.08 1.41 -3.68 3.07 8.00 -1.26 -4.83 116.55 114.18 3kwh n ASP 413 Ca 0.17 -1.21 -0.14 0.00 0.71 0.00 0.00 54.79 54.33 3kwh n ASP 413 Cb 0.52 0.59 -0.09 0.00 -0.02 0.00 0.00 41.12 42.12 3kwh n ASP 413 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kwh s TYR 414 N -2.00 -0.57 -0.17 1.24 2.02 -1.18 -1.50 117.35 115.18 3kwh s TYR 414 Ca 0.11 1.36 -0.08 0.00 -0.37 0.00 0.00 57.07 58.09 3kwh s TYR 414 Cb 0.12 0.21 -0.04 0.00 -0.40 0.00 0.00 41.96 41.85 3kwh s TYR 414 CO 0.45 -0.31 0.11 -1.17 -1.57 0.00 0.00 175.55 173.05 3kwh s LEU 415 N 0.10 4.11 -0.04 -1.29 0.20 -1.07 -1.22 118.68 119.47 3kwh s LEU 415 Ca -0.01 0.23 -0.01 0.00 0.69 0.00 0.00 54.13 55.03 3kwh s LEU 415 Cb -0.04 -2.04 -0.04 0.00 -0.43 0.00 0.00 46.19 43.65 3kwh s LEU 415 CO 0.02 0.24 0.02 -0.31 -0.29 0.00 0.00 176.35 176.02 3kwh s TYR 416 N 0.02 3.18 0.24 5.38 1.51 0.24 -1.86 117.35 126.05 3kwh s TYR 416 Ca 0.08 0.17 -0.15 0.00 -1.01 0.00 0.00 57.07 56.16 3kwh s TYR 416 Cb -0.12 -1.75 0.01 0.00 -0.11 0.00 0.00 41.96 39.99 3kwh s TYR 416 CO -0.00 0.49 0.53 1.52 -1.11 0.00 0.00 175.55 176.99 3kwh s TYR 417 N -1.02 0.16 -0.04 2.71 1.13 -0.42 -0.49 117.35 119.39 3kwh s TYR 417 Ca 0.17 -0.55 0.06 0.00 -1.41 0.00 0.00 57.07 55.34 3kwh s TYR 417 Cb -0.12 0.33 -0.01 0.00 -1.10 0.00 0.00 41.96 41.07 3kwh s TYR 417 CO 0.07 -1.03 -0.21 0.42 -2.51 0.00 0.00 175.55 172.29 3kwh s ILE 418 N -3.97 1.71 0.24 -3.49 1.01 0.35 -0.08 121.20 116.97 3kwh s ILE 418 Ca 0.18 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.98 3kwh s ILE 418 Cb -0.02 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 3kwh s ILE 418 CO 0.06 0.48 0.23 -1.54 0.00 0.00 0.00 174.94 174.18 3kwh n SER 419 N 2.92 -0.61 -1.59 3.58 3.41 -0.88 0.14 113.62 120.58 3kwh n SER 419 Ca -0.17 -2.53 -0.13 0.00 -0.26 0.00 0.00 58.87 55.78 3kwh n SER 419 Cb 0.53 1.33 0.08 0.00 -0.26 0.00 0.00 64.21 65.89 3kwh n SER 419 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kwh n ASN 420 N -2.00 3.71 -0.06 4.04 2.04 -1.02 -1.31 115.26 120.65 3kwh n ASN 420 Ca 0.05 -3.70 -0.13 0.00 -0.44 0.00 0.00 54.58 50.36 3kwh n ASN 420 Cb 0.43 -0.40 -0.07 0.00 -2.53 0.00 0.00 39.78 37.21 3kwh n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 3kwh h GLU 421 N 1.80 0.41 -6.10 -3.83 4.81 -1.86 -3.36 114.58 106.45 3kwh h GLU 421 Ca 0.22 -0.21 -0.78 0.00 -0.13 0.00 0.00 59.36 58.46 3kwh h GLU 421 Cb 1.37 0.01 0.02 0.00 0.63 0.00 0.00 28.75 30.77 3kwh h GLU 421 CO 0.49 0.77 0.70 0.98 -0.73 0.00 0.00 179.01 181.22 3kwh n TYR 422 N -4.51 1.76 -1.43 0.92 9.36 -1.26 -0.96 117.16 121.04 3kwh n TYR 422 Ca -0.06 0.79 -0.15 0.00 3.32 0.00 0.00 57.90 61.80 3kwh n TYR 422 Cb 0.37 -2.34 -0.07 0.00 -0.63 0.00 0.00 39.34 36.68 3kwh n TYR 422 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3kwh n LYS 423 N 4.23 -1.49 -1.82 2.98 5.02 -1.26 -1.61 118.16 124.21 3kwh n LYS 423 Ca 0.26 0.98 -0.21 0.00 -2.02 0.00 0.00 58.31 57.32 3kwh n LYS 423 Cb 0.07 -5.30 -0.07 0.00 -0.02 0.00 0.00 35.03 29.72 3kwh n LYS 423 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kwh n GLY 424 N -0.15 1.31 3.48 0.72 0.00 -0.14 -4.96 105.19 105.46 3kwh n GLY 424 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 3kwh n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kwh s MET 425 N -4.10 3.22 0.56 1.61 -1.94 -0.63 -4.94 119.30 113.08 3kwh s MET 425 Ca 0.00 -0.60 0.27 0.00 -1.71 0.00 0.00 55.69 53.65 3kwh s MET 425 Cb 0.00 -4.06 1.64 0.00 2.01 0.00 0.00 34.83 34.42 3kwh s MET 425 CO 0.00 -1.27 2.19 -1.35 -0.01 0.00 0.00 175.02 174.58 3kwh h PRO 426 N 9.08 0.00 -0.67 2.03 0.11 -1.89 0.28 132.00 140.94 3kwh h PRO 426 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3kwh h PRO 426 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3kwh h PRO 426 CO 0.99 0.04 0.00 0.41 -0.21 0.00 0.00 178.00 179.23 3kwh n GLY 427 N -1.19 2.58 3.76 -0.55 0.00 -1.26 -4.89 105.19 103.63 3kwh n GLY 427 Ca -0.03 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 45.05 3kwh n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kwh s GLY 428 N -0.64 2.05 -0.08 -0.02 0.00 0.08 -1.89 107.32 106.83 3kwh s GLY 428 Ca 0.42 -1.89 -0.08 0.00 0.00 0.00 0.00 44.72 43.17 3kwh s GLY 428 CO 0.14 -1.78 0.22 0.50 0.00 0.00 0.00 173.10 172.18 3kwh s ARG 429 N -3.90 0.26 0.02 2.90 0.52 -0.08 -4.35 118.95 114.31 3kwh s ARG 429 Ca 0.40 0.29 -0.10 0.00 -0.52 0.00 0.00 55.73 55.80 3kwh s ARG 429 Cb -0.01 0.12 0.01 0.00 0.52 0.00 0.00 34.95 35.59 3kwh s ARG 429 CO 0.23 -0.03 0.20 -0.80 0.02 0.00 0.00 175.30 174.92 3kwh s ASN 430 N 0.10 -0.01 0.11 0.23 0.01 -0.43 -2.40 114.94 112.54 3kwh s ASN 430 Ca -0.00 -0.23 -0.30 0.00 -0.71 0.00 0.00 52.86 51.62 3kwh s ASN 430 Cb -0.02 0.27 -0.06 0.00 0.41 0.00 0.00 41.25 41.85 3kwh s ASN 430 CO 0.00 -0.48 1.01 -0.22 -1.51 0.00 0.00 177.10 175.90 3kwh s LEU 431 N -1.73 4.48 0.13 0.60 0.20 -1.26 -2.08 118.68 119.01 3kwh s LEU 431 Ca -0.10 1.86 0.07 0.00 0.69 0.00 0.00 54.13 56.65 3kwh s LEU 431 Cb -0.04 -3.59 -0.04 0.00 -0.43 0.00 0.00 46.19 42.09 3kwh s LEU 431 CO -0.01 -0.14 -0.18 -0.31 -0.29 0.00 0.00 176.35 175.42 3kwh s TYR 432 N 0.12 1.66 -0.05 5.38 1.51 0.89 -1.18 117.35 125.67 3kwh s TYR 432 Ca 0.49 -0.48 0.06 0.00 -1.01 0.00 0.00 57.07 56.13 3kwh s TYR 432 Cb -0.25 -0.87 -0.01 0.00 -0.11 0.00 0.00 41.96 40.72 3kwh s TYR 432 CO 0.31 0.23 -0.23 0.21 -1.11 0.00 0.00 175.55 174.95 3kwh s LYS 433 N -2.44 2.51 -0.10 -0.62 2.20 -0.57 -1.30 119.74 119.43 3kwh s LYS 433 Ca 0.10 -0.87 0.02 0.00 -0.36 0.00 0.00 55.97 54.86 3kwh s LYS 433 Cb -0.07 -2.20 0.01 0.00 -1.51 0.00 0.00 37.83 34.07 3kwh s LYS 433 CO 0.05 0.44 -0.17 0.42 -0.36 0.00 0.00 175.35 175.72 3kwh s ILE 434 N -0.29 1.59 -0.13 5.43 1.01 -0.78 -1.23 121.20 126.81 3kwh s ILE 434 Ca 0.00 -0.72 -0.29 0.00 0.00 0.00 0.00 60.65 59.64 3kwh s ILE 434 Cb -0.13 -1.43 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 3kwh s ILE 434 CO 0.03 0.46 1.01 -1.58 0.00 0.00 0.00 174.94 174.85 3kwh s GLN 435 N 0.77 4.40 0.55 2.79 0.74 -0.50 -2.59 119.66 125.81 3kwh s GLN 435 Ca -0.11 1.39 0.34 0.00 0.05 0.00 0.00 55.36 57.02 3kwh s GLN 435 Cb -0.16 -3.56 1.36 0.00 1.10 0.00 0.00 33.01 31.76 3kwh s GLN 435 CO 0.02 -0.37 1.98 -0.07 -0.55 0.00 0.00 175.29 176.31 3kwh h LEU 436 N 8.24 0.00 -2.47 3.68 3.38 -1.59 -2.84 115.31 123.72 3kwh h LEU 436 Ca -0.29 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 3kwh h LEU 436 Cb 1.13 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 3kwh h LEU 436 CO 0.88 0.00 0.10 -1.54 0.09 0.00 0.00 178.44 177.97 3kwh n SER 437 N -3.10 3.32 0.00 -0.43 3.41 -1.26 -4.61 113.62 110.95 3kwh n SER 437 Ca 0.01 -2.55 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 3kwh n SER 437 Cb 0.31 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 3kwh n SER 437 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3kwh n ASP 438 N 0.11 0.00 0.32 4.04 -0.08 -1.07 -5.06 116.55 114.81 3kwh n ASP 438 Ca 0.18 0.00 0.21 0.00 -1.51 0.00 0.00 54.79 53.67 3kwh n ASP 438 Cb 0.82 0.00 1.11 0.00 2.34 0.00 0.00 41.12 45.40 3kwh n ASP 438 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3kwh h TYR 439 N 0.00 0.00 0.00 -0.67 0.05 -1.82 -0.27 116.97 114.27 3kwh h TYR 439 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3kwh h TYR 439 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3kwh h TYR 439 CO 0.00 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.36 3kwh n THR 440 N -2.96 0.61 -2.79 -2.88 -2.24 -1.26 -4.44 114.28 98.32 3kwh n THR 440 Ca -0.03 0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 3kwh n THR 440 Cb 0.10 -0.81 -0.02 0.00 -2.10 0.00 0.00 70.33 67.50 3kwh n THR 440 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3kwh s LYS 441 N -3.13 3.73 -0.28 -0.78 1.02 -0.11 -4.97 119.74 115.22 3kwh s LYS 441 Ca 0.09 -1.75 0.02 0.00 0.02 0.00 0.00 55.97 54.35 3kwh s LYS 441 Cb 0.12 -5.14 0.07 0.00 -0.52 0.00 0.00 37.83 32.36 3kwh s LYS 441 CO 0.46 -1.95 -0.06 0.08 -0.92 0.00 0.00 175.35 172.97 3kwh s VAL 442 N 3.31 2.38 0.03 3.17 1.01 -1.26 -1.41 120.40 127.64 3kwh s VAL 442 Ca 0.41 -1.70 -0.18 0.00 0.00 0.00 0.00 61.98 60.51 3kwh s VAL 442 Cb -0.02 -2.45 -0.06 0.00 0.00 0.00 0.00 36.38 33.84 3kwh s VAL 442 CO -0.06 -0.14 0.51 -0.89 0.00 0.00 0.00 175.10 174.51 3kwh s THR 443 N 1.10 4.88 -0.36 3.92 2.01 -0.36 -4.93 115.64 121.89 3kwh s THR 443 Ca -0.05 1.06 -0.23 0.00 0.31 0.00 0.00 61.69 62.78 3kwh s THR 443 Cb -0.20 -3.83 0.01 0.00 0.01 0.00 0.00 72.50 68.49 3kwh s THR 443 CO -0.05 0.55 0.79 0.00 -0.69 0.00 0.00 174.62 175.22 3kwh h LEU 445 N 9.74 0.00 0.00 0.00 3.38 -1.50 -3.40 115.31 123.53 3kwh h LEU 445 Ca -0.25 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 3kwh h LEU 445 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3kwh h LEU 445 CO 0.91 0.02 -1.02 -1.54 0.09 0.00 0.00 178.44 176.90 3kwh n SER 446 N -2.51 4.90 -0.25 -0.43 3.41 -1.22 -4.80 113.62 112.71 3kwh n SER 446 Ca 0.04 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.72 3kwh n SER 446 Cb 0.47 0.75 0.19 0.00 -0.26 0.00 0.00 64.21 65.36 3kwh n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kwh n GLU 448 N -5.19 2.79 0.12 0.00 -0.58 -1.26 -4.27 120.64 112.24 3kwh n GLU 448 Ca 0.15 -2.60 -0.13 0.00 -0.42 0.00 0.00 57.16 54.16 3kwh n GLU 448 Cb 0.48 -1.60 -0.08 0.00 -0.57 0.00 0.00 31.44 29.67 3kwh n GLU 448 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3kwh h LEU 449 N 4.15 -0.24 -5.61 -4.62 3.38 -1.74 -3.41 115.31 107.22 3kwh h LEU 449 Ca 0.00 -0.19 -0.39 0.00 0.09 0.00 0.00 57.88 57.38 3kwh h LEU 449 Cb 1.02 0.06 -0.27 0.00 0.09 0.00 0.00 40.66 41.56 3kwh h LEU 449 CO 0.03 0.07 -0.79 0.59 0.09 0.00 0.00 178.44 178.43 3kwh n ASN 450 N -5.09 -1.53 0.27 -0.43 3.02 -1.26 -5.05 115.26 105.19 3kwh n ASN 450 Ca -0.09 -2.83 0.14 0.00 -0.03 0.00 0.00 54.58 51.77 3kwh n ASN 450 Cb 0.23 0.53 0.76 0.00 -0.61 0.00 0.00 39.78 40.69 3kwh n ASN 450 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3kwh h PRO 451 N 4.55 0.00 0.00 3.52 0.11 -1.79 0.72 132.00 139.11 3kwh h PRO 451 Ca 0.05 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.94 3kwh h PRO 451 Cb 0.97 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.04 3kwh h PRO 451 CO 0.32 0.09 -1.64 0.39 -0.21 0.00 0.00 178.00 176.95 3kwh n GLU 452 N -3.47 0.63 -0.02 1.05 4.71 -1.26 -4.33 120.64 117.96 3kwh n GLU 452 Ca -0.01 0.21 -0.19 0.00 -0.01 0.00 0.00 57.16 57.16 3kwh n GLU 452 Cb 0.24 -1.76 -0.14 0.00 -1.01 0.00 0.00 31.44 28.77 3kwh n GLU 452 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 3kwh n ARG 453 N -2.90 0.73 -3.87 3.49 0.63 -0.95 -4.56 116.66 109.23 3kwh n ARG 453 Ca -0.14 0.24 -0.36 0.00 -0.92 0.00 0.00 57.85 56.68 3kwh n ARG 453 Cb 0.93 -1.69 -0.13 0.00 0.45 0.00 0.00 32.46 32.02 3kwh n ARG 453 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kwh n GLN 455 N 4.65 2.09 -3.44 0.00 6.02 0.12 -4.51 117.38 122.31 3kwh n GLN 455 Ca -0.12 -1.48 -0.20 0.00 -0.01 0.00 0.00 57.00 55.19 3kwh n GLN 455 Cb 0.43 -0.97 -0.11 0.00 1.02 0.00 0.00 30.24 30.61 3kwh n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3kwh s TYR 456 N -1.08 -0.26 0.30 1.08 6.14 -1.14 -0.90 117.35 121.49 3kwh s TYR 456 Ca 0.05 -0.30 0.09 0.00 0.64 0.00 0.00 57.07 57.55 3kwh s TYR 456 Cb 0.04 -0.56 -0.04 0.00 0.42 0.00 0.00 41.96 41.83 3kwh s TYR 456 CO 0.00 -0.87 0.09 0.71 0.64 0.00 0.00 175.55 176.12 3kwh s TYR 457 N 2.30 2.75 0.17 4.97 2.02 -1.01 0.19 117.35 128.74 3kwh s TYR 457 Ca 0.09 -0.28 -0.01 0.00 -0.37 0.00 0.00 57.07 56.50 3kwh s TYR 457 Cb -0.15 -1.42 -0.04 0.00 -0.40 0.00 0.00 41.96 39.95 3kwh s TYR 457 CO -0.32 0.48 0.08 -1.54 -1.57 0.00 0.00 175.55 172.68 3kwh s SER 458 N -3.77 0.42 0.04 2.29 1.04 0.50 -4.69 113.70 109.52 3kwh s SER 458 Ca 0.34 -1.28 -0.01 0.00 0.48 0.00 0.00 55.95 55.48 3kwh s SER 458 Cb -0.05 0.29 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 3kwh s SER 458 CO 0.22 -0.75 -0.02 0.54 0.98 0.00 0.00 173.24 174.20 3kwh s VAL 459 N -4.02 0.18 -0.09 5.02 0.11 -1.26 -1.56 120.40 118.78 3kwh s VAL 459 Ca 0.30 -1.48 -0.03 0.00 -2.93 0.00 0.00 61.98 57.84 3kwh s VAL 459 Cb 0.07 -1.08 0.05 0.00 -1.53 0.00 0.00 36.38 33.89 3kwh s VAL 459 CO 0.06 -0.82 0.14 -0.55 -3.33 0.00 0.00 175.10 170.61 3kwh s SER 460 N -2.41 0.97 0.04 3.54 0.15 -1.07 -5.00 113.70 109.91 3kwh s SER 460 Ca -0.01 0.19 -0.05 0.00 0.70 0.00 0.00 55.95 56.77 3kwh s SER 460 Cb 0.02 0.18 -0.05 0.00 -1.71 0.00 0.00 66.02 64.45 3kwh s SER 460 CO -0.07 -0.26 0.28 -0.36 1.20 0.00 0.00 173.24 174.04 3kwh s PHE 461 N 2.26 3.55 0.87 3.44 0.08 -1.26 -1.90 117.98 125.03 3kwh s PHE 461 Ca 0.04 0.53 -0.12 0.00 0.12 0.00 0.00 56.93 57.50 3kwh s PHE 461 Cb -0.13 -1.97 0.11 0.00 -0.57 0.00 0.00 43.02 40.47 3kwh s PHE 461 CO -0.06 0.58 1.12 -1.54 -0.10 0.00 0.00 175.22 175.22 3kwh s SER 462 N -1.93 3.85 0.44 1.36 1.04 -0.85 -4.90 113.70 112.71 3kwh s SER 462 Ca 0.31 1.11 -0.26 0.00 0.48 0.00 0.00 55.95 57.59 3kwh s SER 462 Cb -0.13 -1.75 -0.09 0.00 0.10 0.00 0.00 66.02 64.15 3kwh s SER 462 CO 0.19 -2.35 1.45 -0.54 0.98 0.00 0.00 173.24 172.97 3kwh s LYS 463 N -5.21 3.74 0.00 4.02 1.02 -1.21 -0.29 119.74 121.82 3kwh s LYS 463 Ca 0.63 2.47 0.00 0.00 0.02 0.00 0.00 55.97 59.09 3kwh s LYS 463 Cb -0.15 -2.71 0.00 0.00 -0.52 0.00 0.00 37.83 34.45 3kwh s LYS 463 CO 0.54 -0.79 0.00 0.39 -0.92 0.00 0.00 175.35 174.57 3kwh n GLU 464 N -0.10 -0.32 -3.27 1.68 -0.58 -1.26 -3.85 120.64 112.94 3kwh n GLU 464 Ca 0.04 0.08 -0.22 0.00 -0.42 0.00 0.00 57.16 56.64 3kwh n GLU 464 Cb 0.41 -3.93 -0.00 0.00 -0.57 0.00 0.00 31.44 27.35 3kwh n GLU 464 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kwh n ALA 465 N 1.00 -1.04 0.63 0.62 0.00 0.60 -4.82 120.51 117.50 3kwh n ALA 465 Ca 0.00 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.67 3kwh n ALA 465 Cb 0.08 -2.74 0.42 0.00 0.00 0.00 0.00 19.45 17.21 3kwh n ALA 465 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kwh n LYS 466 N -3.67 0.25 -3.98 0.00 4.76 -1.25 -4.59 118.16 109.68 3kwh n LYS 466 Ca -0.03 0.22 -0.10 0.00 -2.87 0.00 0.00 58.31 55.53 3kwh n LYS 466 Cb 0.55 -1.80 -0.12 0.00 -1.84 0.00 0.00 35.03 31.83 3kwh n LYS 466 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3kwh s TYR 467 N -3.11 0.27 0.00 2.13 2.02 -1.26 -0.19 117.35 117.22 3kwh s TYR 467 Ca 0.10 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.37 3kwh s TYR 467 Cb 0.12 -0.19 -0.00 0.00 -0.40 0.00 0.00 41.96 41.49 3kwh s TYR 467 CO 0.58 -0.15 -0.03 1.52 -1.57 0.00 0.00 175.55 175.91 3kwh s TYR 468 N -1.22 0.25 -0.27 2.71 1.13 0.24 -2.01 117.35 118.18 3kwh s TYR 468 Ca -0.13 -0.11 -0.14 0.00 -1.41 0.00 0.00 57.07 55.28 3kwh s TYR 468 Cb -0.08 -0.16 -0.04 0.00 -1.10 0.00 0.00 41.96 40.57 3kwh s TYR 468 CO -0.01 -0.02 0.35 -1.14 -2.51 0.00 0.00 175.55 172.22 3kwh s GLN 469 N -0.26 4.00 0.09 -3.49 0.74 -0.80 0.10 119.66 120.05 3kwh s GLN 469 Ca -0.01 -0.02 -0.12 0.00 0.05 0.00 0.00 55.36 55.26 3kwh s GLN 469 Cb -0.02 -3.66 -0.06 0.00 1.10 0.00 0.00 33.01 30.37 3kwh s GLN 469 CO -0.00 -0.27 0.46 -0.51 -0.55 0.00 0.00 175.29 174.42 3kwh s LEU 470 N 2.03 4.36 -0.19 3.68 1.43 0.90 -2.60 118.68 128.29 3kwh s LEU 470 Ca 0.14 0.92 -0.03 0.00 -1.03 0.00 0.00 54.13 54.13 3kwh s LEU 470 Cb -0.16 -3.03 0.06 0.00 0.03 0.00 0.00 46.19 43.09 3kwh s LEU 470 CO 0.10 0.17 0.05 0.00 0.23 0.00 0.00 176.35 176.90 3kwh s ARG 471 N -1.81 0.53 0.05 1.70 1.04 -0.60 -0.44 118.95 119.42 3kwh s ARG 471 Ca 0.33 -0.37 -0.10 0.00 -1.04 0.00 0.00 55.73 54.56 3kwh s ARG 471 Cb -0.15 -2.05 -0.06 0.00 -2.04 0.00 0.00 34.95 30.66 3kwh s ARG 471 CO 0.18 -0.66 0.37 0.00 -0.04 0.00 0.00 175.30 175.15 3kwh n SER 473 N 1.09 1.05 0.00 0.00 7.64 0.13 -3.27 113.62 120.26 3kwh n SER 473 Ca -0.10 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.67 3kwh n SER 473 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 3kwh n SER 473 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kwh n GLY 474 N -0.06 1.48 0.19 0.23 0.00 -1.25 0.08 105.19 105.86 3kwh n GLY 474 Ca 0.00 -1.14 0.07 0.00 0.00 0.00 0.00 46.02 44.94 3kwh n GLY 474 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kwh h PRO 475 N 0.00 0.00 0.00 1.61 0.14 -0.79 0.34 132.00 133.30 3kwh h PRO 475 Ca 0.00 0.00 -0.12 0.00 0.14 0.00 0.00 66.00 66.02 3kwh h PRO 475 Cb 0.00 0.00 0.06 0.00 0.14 0.00 0.00 31.00 31.20 3kwh h PRO 475 CO 0.00 0.34 0.08 0.41 0.14 0.00 0.00 178.00 178.97 3kwh n GLY 476 N 0.57 -1.87 3.76 1.56 0.00 0.01 -4.40 105.19 104.84 3kwh n GLY 476 Ca 0.01 -1.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 3kwh n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kwh s LEU 477 N 0.00 3.97 0.40 0.99 1.43 -1.26 -4.59 118.68 119.62 3kwh s LEU 477 Ca 0.22 2.45 -0.27 0.00 -1.03 0.00 0.00 54.13 55.50 3kwh s LEU 477 Cb -0.01 -4.24 -0.10 0.00 0.03 0.00 0.00 46.19 41.87 3kwh s LEU 477 CO 0.16 -1.11 1.42 -2.84 0.23 0.00 0.00 176.35 174.22 3kwh s PRO 478 N -2.74 3.98 -0.04 1.29 0.02 -1.26 -4.77 135.00 131.49 3kwh s PRO 478 Ca 0.66 2.43 -0.00 0.00 0.02 0.00 0.00 61.00 64.10 3kwh s PRO 478 Cb -0.32 -2.85 0.03 0.00 0.02 0.00 0.00 34.50 31.37 3kwh s PRO 478 CO 0.39 -0.58 0.01 -1.17 -0.33 0.00 0.00 177.00 175.32 3kwh s LEU 479 N -2.31 0.96 -0.15 -5.54 0.20 -1.20 -4.19 118.68 106.45 3kwh s LEU 479 Ca 0.55 -0.03 0.02 0.00 0.69 0.00 0.00 54.13 55.36 3kwh s LEU 479 Cb -0.44 -0.26 0.01 0.00 -0.43 0.00 0.00 46.19 45.07 3kwh s LEU 479 CO 0.58 -0.13 -0.20 -0.31 -0.29 0.00 0.00 176.35 176.00 3kwh s TYR 480 N 1.30 2.71 0.04 5.38 1.51 -0.17 -1.90 117.35 126.21 3kwh s TYR 480 Ca -0.06 -1.30 0.03 0.00 -1.01 0.00 0.00 57.07 54.74 3kwh s TYR 480 Cb -0.13 -1.85 -0.02 0.00 -0.11 0.00 0.00 41.96 39.85 3kwh s TYR 480 CO -0.02 -0.60 -0.10 0.95 -1.11 0.00 0.00 175.55 174.66 3kwh s THR 481 N 0.88 0.79 -0.12 -0.71 -4.23 0.42 0.10 115.64 112.76 3kwh s THR 481 Ca -0.05 -0.92 -0.06 0.00 -1.18 0.00 0.00 61.69 59.49 3kwh s THR 481 Cb -0.15 -0.76 -0.04 0.00 1.34 0.00 0.00 72.50 72.89 3kwh s THR 481 CO -0.03 -0.13 0.09 -0.22 -0.54 0.00 0.00 174.62 173.79 3kwh s LEU 482 N -1.17 4.10 0.01 4.79 1.98 -1.13 0.31 118.68 127.57 3kwh s LEU 482 Ca -0.03 0.34 -0.03 0.00 -2.89 0.00 0.00 54.13 51.52 3kwh s LEU 482 Cb -0.08 -1.99 -0.01 0.00 0.66 0.00 0.00 46.19 44.77 3kwh s LEU 482 CO 0.01 0.38 0.05 -1.00 -1.89 0.00 0.00 176.35 173.89 3kwh s HIS 483 N -0.85 0.15 -0.14 5.38 3.76 0.29 -1.20 115.29 122.68 3kwh s HIS 483 Ca 0.13 -0.33 -0.15 0.00 -0.15 0.00 0.00 55.06 54.57 3kwh s HIS 483 Cb -0.12 -0.12 -0.05 0.00 1.11 0.00 0.00 32.58 33.41 3kwh s HIS 483 CO 0.03 -0.22 0.33 -1.54 -0.85 0.00 0.00 174.74 172.49 3kwh s SER 484 N -1.36 6.52 0.48 1.40 1.04 -0.93 0.82 113.70 121.66 3kwh s SER 484 Ca -0.15 0.61 0.25 0.00 0.48 0.00 0.00 55.95 57.15 3kwh s SER 484 Cb -0.09 -2.20 1.17 0.00 0.10 0.00 0.00 66.02 65.00 3kwh s SER 484 CO 0.00 0.11 1.94 0.28 0.98 0.00 0.00 173.24 176.55 3kwh h SER 485 N 6.44 0.00 -0.01 7.02 0.02 -0.83 -3.02 113.55 123.18 3kwh h SER 485 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 3kwh h SER 485 Cb 1.17 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.71 3kwh h SER 485 CO 0.74 0.18 -0.03 0.58 -1.14 0.00 0.00 176.83 177.16 3kwh h VAL 486 N 0.00 0.00 -3.08 2.27 2.07 -1.92 -3.25 116.25 112.34 3kwh h VAL 486 Ca -0.00 0.00 -0.62 0.00 0.82 0.00 0.00 66.70 66.90 3kwh h VAL 486 Cb 0.56 0.00 -0.42 0.00 -1.52 0.00 0.00 31.29 29.91 3kwh h VAL 486 CO 0.02 0.00 -0.60 0.20 0.02 0.00 0.00 177.57 177.22 3kwh s ASN 487 N -2.72 4.61 0.00 0.57 -0.87 -1.26 -4.97 114.94 110.30 3kwh s ASN 487 Ca -0.01 -3.73 0.00 0.00 -1.57 0.00 0.00 52.86 47.55 3kwh s ASN 487 Cb 0.00 -1.58 0.00 0.00 -0.02 0.00 0.00 41.25 39.66 3kwh s ASN 487 CO 0.03 -0.10 0.13 0.47 -2.57 0.00 0.00 177.10 175.06 3kwh n ASP 488 N 2.14 -0.27 -4.86 -1.22 9.92 -1.23 -4.78 116.55 116.24 3kwh n ASP 488 Ca 0.19 -0.14 -0.37 0.00 -0.53 0.00 0.00 54.79 53.94 3kwh n ASP 488 Cb 0.35 -0.01 -0.06 0.00 -0.64 0.00 0.00 41.12 40.77 3kwh n ASP 488 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3kwh s LYS 489 N 0.80 3.73 0.13 -1.24 2.20 -1.14 -4.95 119.74 119.27 3kwh s LYS 489 Ca 0.00 0.18 -0.30 0.00 -0.36 0.00 0.00 55.97 55.48 3kwh s LYS 489 Cb 0.00 -3.15 -0.07 0.00 -1.51 0.00 0.00 37.83 33.10 3kwh s LYS 489 CO 0.00 0.68 1.15 0.20 -0.36 0.00 0.00 175.35 177.02 3kwh s GLY 490 N -1.30 2.64 -0.23 5.54 0.00 -1.26 -2.19 107.32 110.52 3kwh s GLY 490 Ca 0.24 0.84 -0.14 0.00 0.00 0.00 0.00 44.72 45.66 3kwh s GLY 490 CO 0.13 1.85 -0.34 1.04 0.00 0.00 0.00 173.10 175.78 3kwh n LEU 491 N 3.07 1.87 -3.82 0.66 4.77 -0.34 -4.94 117.00 118.27 3kwh n LEU 491 Ca 0.06 0.32 -0.10 0.00 -0.03 0.00 0.00 56.01 56.26 3kwh n LEU 491 Cb 0.46 -0.76 -0.05 0.00 -2.33 0.00 0.00 43.42 40.74 3kwh n LEU 491 CO 0.55 0.29 0.12 -0.13 -1.33 0.00 0.00 177.39 176.89 3kwh s ARG 492 N -2.60 1.23 -0.22 3.23 0.52 -1.22 -5.05 118.95 114.84 3kwh s ARG 492 Ca -0.34 -0.98 -0.10 0.00 -0.52 0.00 0.00 55.73 53.80 3kwh s ARG 492 Cb 0.11 0.45 -0.05 0.00 0.52 0.00 0.00 34.95 35.98 3kwh s ARG 492 CO 0.45 -0.48 0.13 0.08 0.02 0.00 0.00 175.30 175.49 3kwh s VAL 493 N -3.90 5.16 -0.20 3.52 1.01 -1.26 -2.85 120.40 121.87 3kwh s VAL 493 Ca 0.11 0.11 -0.22 0.00 0.00 0.00 0.00 61.98 61.98 3kwh s VAL 493 Cb 0.01 -3.38 -0.19 0.00 0.00 0.00 0.00 36.38 32.81 3kwh s VAL 493 CO -0.03 0.38 0.27 -0.07 0.00 0.00 0.00 175.10 175.65 3kwh h LEU 494 N 7.32 0.00 -7.35 3.92 3.38 -0.71 -3.47 115.31 118.41 3kwh h LEU 494 Ca -0.38 -0.55 -0.22 0.00 0.09 0.00 0.00 57.88 56.81 3kwh h LEU 494 Cb 1.17 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.60 3kwh h LEU 494 CO 0.67 1.41 -0.54 -0.70 0.09 0.00 0.00 178.44 179.37 3kwh s GLU 495 N -2.34 0.14 0.00 1.13 2.56 -1.08 -4.99 118.70 114.12 3kwh s GLU 495 Ca -0.27 0.51 0.07 0.00 0.00 0.00 0.00 54.97 55.27 3kwh s GLU 495 Cb 0.05 -0.15 0.14 0.00 2.00 0.00 0.00 34.13 36.17 3kwh s GLU 495 CO 0.59 -0.19 0.99 -0.40 -0.56 0.00 0.00 175.26 175.68 3kwh n ASP 496 N 4.48 2.19 -2.47 -1.70 5.68 -1.26 -1.00 116.55 122.46 3kwh n ASP 496 Ca -0.21 -1.73 -0.16 0.00 -0.50 0.00 0.00 54.79 52.19 3kwh n ASP 496 Cb 0.52 -0.09 -0.01 0.00 -1.14 0.00 0.00 41.12 40.40 3kwh n ASP 496 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3kwh n ASN 497 N 0.22 -4.69 -0.31 -1.12 3.02 -1.26 -4.83 115.26 106.29 3kwh n ASN 497 Ca 0.06 0.09 0.04 0.00 -0.03 0.00 0.00 54.58 54.74 3kwh n ASN 497 Cb 0.29 -3.94 0.19 0.00 -0.61 0.00 0.00 39.78 35.70 3kwh n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3kwh h SER 498 N -0.08 0.74 0.03 6.41 4.64 -1.94 -1.53 113.55 121.82 3kwh h SER 498 Ca -0.38 0.05 0.03 0.00 -0.47 0.00 0.00 61.79 61.02 3kwh h SER 498 Cb 1.28 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 3kwh h SER 498 CO 0.44 0.42 -0.24 0.00 -0.87 0.00 0.00 176.83 176.58 3kwh h ALA 499 N 1.48 -0.33 -0.78 5.18 0.00 -1.99 -1.51 119.26 121.29 3kwh h ALA 499 Ca 0.42 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.35 3kwh h ALA 499 Cb 0.39 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3kwh h ALA 499 CO -0.25 -0.74 0.52 1.25 0.00 0.00 0.00 179.25 180.02 3kwh h LEU 500 N -0.39 0.84 -0.06 0.00 7.12 -1.71 -2.38 115.31 118.73 3kwh h LEU 500 Ca 0.05 -0.01 0.04 0.00 0.13 0.00 0.00 57.88 58.09 3kwh h LEU 500 Cb 0.46 -0.20 -0.05 0.00 -0.53 0.00 0.00 40.66 40.33 3kwh h LEU 500 CO -0.20 0.59 -0.28 -0.78 -0.13 0.00 0.00 178.44 177.64 3kwh h ASP 501 N 0.98 -0.85 -0.57 1.25 3.58 -0.30 -1.33 116.42 119.19 3kwh h ASP 501 Ca 0.31 0.12 -0.11 0.00 0.42 0.00 0.00 57.03 57.77 3kwh h ASP 501 Cb 0.01 0.35 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 3kwh h ASP 501 CO -0.08 -0.34 -0.06 0.07 -2.88 0.00 0.00 179.24 175.94 3kwh h LYS 502 N -0.39 1.05 -0.40 0.28 2.10 -1.02 -0.88 116.57 117.31 3kwh h LYS 502 Ca 0.08 -0.36 0.03 0.00 -2.00 0.00 0.00 60.65 58.39 3kwh h LYS 502 Cb 0.51 -0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 31.72 3kwh h LYS 502 CO -0.28 1.06 0.21 0.52 -2.00 0.00 0.00 179.45 178.96 3kwh h MET 503 N 0.94 0.41 0.00 0.07 2.86 -1.21 -1.65 114.93 116.35 3kwh h MET 503 Ca 0.15 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3kwh h MET 503 Cb 0.63 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 3kwh h MET 503 CO 0.04 0.27 -0.11 -0.07 1.06 0.00 0.00 176.91 178.10 3kwh h LEU 504 N 0.42 0.00 -1.76 1.22 3.38 -0.81 -1.57 115.31 116.19 3kwh h LEU 504 Ca 0.17 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.19 3kwh h LEU 504 Cb 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3kwh h LEU 504 CO -0.11 0.11 0.26 1.56 0.09 0.00 0.00 178.44 180.35 3kwh h GLN 505 N 0.00 0.29 -0.84 1.13 4.20 -0.16 -1.92 115.11 117.81 3kwh h GLN 505 Ca -0.00 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.54 3kwh h GLN 505 Cb 0.41 -0.07 -0.09 0.00 0.30 0.00 0.00 27.48 28.03 3kwh h GLN 505 CO 0.01 0.19 0.20 -1.71 -0.67 0.00 0.00 178.83 176.85 3kwh n ASN 506 N -4.48 3.90 -4.08 1.46 5.15 -0.59 -4.72 115.26 111.90 3kwh n ASN 506 Ca 0.05 -2.83 -0.20 0.00 -0.60 0.00 0.00 54.58 50.99 3kwh n ASN 506 Cb 0.24 -0.67 -0.15 0.00 -0.53 0.00 0.00 39.78 38.67 3kwh n ASN 506 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3kwh s VAL 507 N -2.21 0.96 -1.25 3.44 1.01 -0.72 -4.16 120.40 117.47 3kwh s VAL 507 Ca 0.38 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.55 3kwh s VAL 507 Cb 0.30 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.88 3kwh s VAL 507 CO 0.09 0.20 1.78 -1.10 0.00 0.00 0.00 175.10 176.08 3kwh s GLN 508 N -0.47 3.53 0.51 2.72 -0.21 0.10 -4.43 119.66 121.41 3kwh s GLN 508 Ca 0.04 -1.69 -0.18 0.00 0.02 0.00 0.00 55.36 53.55 3kwh s GLN 508 Cb -0.05 -5.44 -0.08 0.00 1.00 0.00 0.00 33.01 28.44 3kwh s GLN 508 CO -0.00 -2.76 1.00 -1.64 -2.12 0.00 0.00 175.29 169.77 3kwh s MET 509 N 4.94 3.87 0.76 2.91 -1.94 -1.26 -4.44 119.30 124.14 3kwh s MET 509 Ca 0.58 1.07 -0.11 0.00 -1.71 0.00 0.00 55.69 55.51 3kwh s MET 509 Cb 0.02 -2.12 0.05 0.00 2.01 0.00 0.00 34.83 34.79 3kwh s MET 509 CO 0.08 -0.34 1.09 -1.25 -0.01 0.00 0.00 175.02 174.59 3kwh s PRO 510 N -3.84 2.41 0.41 2.03 0.04 -1.26 -4.10 135.00 130.70 3kwh s PRO 510 Ca 0.61 0.72 0.08 0.00 0.04 0.00 0.00 61.00 62.44 3kwh s PRO 510 Cb -0.11 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 3kwh s PRO 510 CO 0.28 -1.41 0.36 -1.54 0.04 0.00 0.00 177.00 174.73 3kwh s SER 511 N -3.91 5.03 -0.13 6.66 1.04 0.43 -4.92 113.70 117.91 3kwh s SER 511 Ca 0.60 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 56.28 3kwh s SER 511 Cb -0.14 -0.60 0.02 0.00 0.10 0.00 0.00 66.02 65.41 3kwh s SER 511 CO 0.54 -0.62 -0.11 -0.75 0.98 0.00 0.00 173.24 173.28 3kwh s LYS 512 N -4.11 1.88 -0.23 4.02 2.20 -1.26 0.03 119.74 122.27 3kwh s LYS 512 Ca 0.47 -0.40 -0.09 0.00 -0.36 0.00 0.00 55.97 55.60 3kwh s LYS 512 Cb -0.03 -1.81 -0.04 0.00 -1.51 0.00 0.00 37.83 34.44 3kwh s LYS 512 CO 0.27 -0.24 0.11 0.21 -0.36 0.00 0.00 175.35 175.34 3kwh s LYS 513 N 1.55 3.90 -0.21 4.03 2.36 -0.13 -4.92 119.74 126.32 3kwh s LYS 513 Ca 0.04 -0.36 0.01 0.00 -2.55 0.00 0.00 55.97 53.10 3kwh s LYS 513 Cb -0.13 -3.39 0.03 0.00 -1.05 0.00 0.00 37.83 33.29 3kwh s LYS 513 CO -0.09 0.02 -0.15 -1.17 1.55 0.00 0.00 175.35 175.52 3kwh s LEU 514 N 1.09 2.62 0.00 5.43 0.20 -1.26 0.16 118.68 126.92 3kwh s LEU 514 Ca 0.05 -0.84 0.00 0.00 0.69 0.00 0.00 54.13 54.04 3kwh s LEU 514 Cb -0.14 -1.53 0.00 0.00 -0.43 0.00 0.00 46.19 44.09 3kwh s LEU 514 CO 0.04 -0.06 0.00 -0.67 -0.29 0.00 0.00 176.35 175.37 3kwh n ASP 515 N 4.59 0.00 -4.09 3.68 -0.08 -0.19 -5.00 116.55 115.46 3kwh n ASP 515 Ca -0.19 -0.93 -0.07 0.00 -1.51 0.00 0.00 54.79 52.09 3kwh n ASP 515 Cb 0.48 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.84 3kwh n ASP 515 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 3kwh s PHE 516 N -7.70 0.55 0.14 -0.67 -0.12 -1.26 0.15 117.98 109.07 3kwh s PHE 516 Ca 0.00 -1.08 0.07 0.00 -0.05 0.00 0.00 56.93 55.87 3kwh s PHE 516 Cb 0.00 -0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 41.96 3kwh s PHE 516 CO 0.00 -0.40 -0.16 0.96 -0.05 0.00 0.00 175.22 175.57 3kwh s ILE 517 N -3.93 1.54 -0.25 -4.49 -4.36 -0.32 -4.95 121.20 104.45 3kwh s ILE 517 Ca 0.09 -1.81 -0.07 0.00 -0.26 0.00 0.00 60.65 58.60 3kwh s ILE 517 Cb 0.08 -1.68 -0.03 0.00 1.25 0.00 0.00 42.46 42.08 3kwh s ILE 517 CO -0.08 -0.38 0.07 -0.63 0.24 0.00 0.00 174.94 174.15 3kwh s ILE 518 N -2.12 4.28 0.00 8.37 1.01 -1.26 -1.34 121.20 130.14 3kwh s ILE 518 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.59 3kwh s ILE 518 Cb -0.05 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.42 3kwh s ILE 518 CO 0.04 0.34 0.00 0.18 0.00 0.00 0.00 174.94 175.51 3kwh n LEU 519 N 4.90 0.03 0.00 2.97 4.77 -0.88 -4.94 117.00 123.86 3kwh n LEU 519 Ca -0.16 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3kwh n LEU 519 Cb 0.51 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3kwh n LEU 519 CO 0.31 -0.34 0.00 0.59 -1.33 0.00 0.00 177.39 176.62 3kwh n ASN 520 N -2.16 0.00 -1.61 -1.43 3.02 -1.26 -4.82 115.26 107.00 3kwh n ASN 520 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.40 3kwh n ASN 520 Cb 0.00 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.32 3kwh n ASN 520 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kwh n GLU 521 N 0.00 2.34 -4.51 3.52 1.02 -1.26 -5.03 120.64 116.71 3kwh n GLU 521 Ca 0.00 -3.38 -0.21 0.00 -0.02 0.00 0.00 57.16 53.54 3kwh n GLU 521 Cb 0.00 -2.01 -0.15 0.00 -0.02 0.00 0.00 31.44 29.25 3kwh n GLU 521 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3kwh s THR 522 N -3.76 0.95 -0.06 2.62 2.01 -1.26 -5.12 115.64 111.01 3kwh s THR 522 Ca 0.50 -0.47 -0.30 0.00 0.31 0.00 0.00 61.69 61.73 3kwh s THR 522 Cb 0.43 -0.82 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 3kwh s THR 522 CO 0.01 0.28 1.09 -0.54 -0.69 0.00 0.00 174.62 174.78 3kwh s LYS 523 N 0.00 4.41 -0.09 4.92 1.02 -1.26 -2.07 119.74 126.67 3kwh s LYS 523 Ca -0.01 1.53 0.02 0.00 0.02 0.00 0.00 55.97 57.54 3kwh s LYS 523 Cb -0.08 -3.53 0.01 0.00 -0.52 0.00 0.00 37.83 33.72 3kwh s LYS 523 CO 0.00 -0.34 -0.15 -0.06 -0.92 0.00 0.00 175.35 173.89 3kwh s PHE 524 N 1.93 1.83 -0.01 3.18 0.08 -0.45 -4.97 117.98 119.57 3kwh s PHE 524 Ca 0.52 -0.79 -0.14 0.00 0.12 0.00 0.00 56.93 56.65 3kwh s PHE 524 Cb -0.22 -1.32 -0.06 0.00 -0.57 0.00 0.00 43.02 40.86 3kwh s PHE 524 CO 0.21 -0.40 0.38 -1.58 -0.10 0.00 0.00 175.22 173.73 3kwh s TRP 525 N 0.83 3.71 0.19 0.36 0.52 -1.25 -1.17 118.94 122.14 3kwh s TRP 525 Ca -0.10 0.94 0.04 0.00 0.02 0.00 0.00 56.10 57.00 3kwh s TRP 525 Cb -0.15 -2.25 -0.05 0.00 -1.15 0.00 0.00 33.47 29.87 3kwh s TRP 525 CO 0.01 0.65 -0.06 1.52 0.02 0.00 0.00 176.95 179.09 3kwh s TYR 526 N -1.10 1.46 0.05 -1.98 1.13 0.12 -0.79 117.35 116.24 3kwh s TYR 526 Ca 0.24 -0.81 0.05 0.00 -1.41 0.00 0.00 57.07 55.14 3kwh s TYR 526 Cb -0.16 -0.79 -0.02 0.00 -1.10 0.00 0.00 41.96 39.89 3kwh s TYR 526 CO 0.13 0.07 -0.16 1.14 -2.51 0.00 0.00 175.55 174.22 3kwh s GLN 527 N -3.78 1.00 0.03 -3.49 -2.07 -0.70 -1.02 119.66 109.63 3kwh s GLN 527 Ca 0.23 -0.84 0.08 0.00 -1.82 0.00 0.00 55.36 53.02 3kwh s GLN 527 Cb 0.04 -1.05 -0.03 0.00 -1.09 0.00 0.00 33.01 30.88 3kwh s GLN 527 CO 0.05 0.26 -0.24 -1.64 -1.32 0.00 0.00 175.29 172.39 3kwh s MET 528 N -1.26 1.71 -0.36 9.60 -1.94 0.43 -2.11 119.30 125.37 3kwh s MET 528 Ca 0.02 -1.02 -0.05 0.00 -1.71 0.00 0.00 55.69 52.93 3kwh s MET 528 Cb -0.08 -1.83 0.06 0.00 2.01 0.00 0.00 34.83 34.99 3kwh s MET 528 CO 0.02 0.48 0.12 0.42 -0.01 0.00 0.00 175.02 176.04 3kwh s ILE 529 N -0.76 3.52 -0.07 2.53 1.01 -0.40 -0.96 121.20 126.06 3kwh s ILE 529 Ca 0.10 -1.45 -0.10 0.00 0.00 0.00 0.00 60.65 59.20 3kwh s ILE 529 Cb -0.10 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.21 3kwh s ILE 529 CO 0.02 -0.32 0.24 -0.76 0.00 0.00 0.00 174.94 174.11 3kwh s LEU 530 N 1.30 4.42 0.64 2.97 1.43 0.10 -2.37 118.68 127.18 3kwh s LEU 530 Ca 0.00 0.65 -0.16 0.00 -1.03 0.00 0.00 54.13 53.60 3kwh s LEU 530 Cb -0.21 -2.27 -0.01 0.00 0.03 0.00 0.00 46.19 43.74 3kwh s LEU 530 CO 0.00 0.38 1.11 -2.84 0.23 0.00 0.00 176.35 175.23 3kwh s PRO 531 N -1.06 2.88 0.58 1.29 0.02 -1.26 -0.43 135.00 137.02 3kwh s PRO 531 Ca 0.18 1.43 -0.19 0.00 0.02 0.00 0.00 61.00 62.44 3kwh s PRO 531 Cb -0.14 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 3kwh s PRO 531 CO 0.08 -1.19 1.22 -1.25 -0.33 0.00 0.00 177.00 175.53 3kwh s PRO 532 N -3.97 3.03 -1.13 5.54 0.04 -1.26 -2.23 135.00 135.02 3kwh s PRO 532 Ca 0.68 1.88 -0.02 0.00 0.04 0.00 0.00 61.00 63.58 3kwh s PRO 532 Cb -0.21 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3kwh s PRO 532 CO 0.39 -1.17 0.23 0.72 0.04 0.00 0.00 177.00 177.21 3kwh n HIS 533 N -1.46 -1.04 -1.61 0.56 8.25 -1.26 -4.90 115.22 113.75 3kwh n HIS 533 Ca 0.13 0.20 -0.42 0.00 -0.26 0.00 0.00 57.72 57.37 3kwh n HIS 533 Cb 0.49 -3.23 0.01 0.00 1.12 0.00 0.00 29.99 28.38 3kwh n HIS 533 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3kwh n PHE 534 N -4.07 1.24 -3.51 4.41 7.35 -0.95 -4.97 117.46 116.97 3kwh n PHE 534 Ca -0.12 0.57 -0.24 0.00 -0.76 0.00 0.00 57.45 56.90 3kwh n PHE 534 Cb 0.60 -2.24 -0.14 0.00 0.35 0.00 0.00 39.48 38.05 3kwh n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3kwh s ASP 535 N -0.70 2.56 0.00 -2.13 2.15 -1.26 -4.99 116.67 112.30 3kwh s ASP 535 Ca 0.62 -0.88 0.00 0.00 0.43 0.00 0.00 52.55 52.73 3kwh s ASP 535 Cb -0.57 -0.02 0.01 0.00 -0.30 0.00 0.00 42.92 42.04 3kwh s ASP 535 CO 0.57 -0.39 0.69 2.29 -0.17 0.00 0.00 175.17 178.16 3kwh n LYS 536 N 5.28 0.01 0.01 4.34 2.85 -1.26 -0.62 118.16 128.76 3kwh n LYS 536 Ca -0.05 0.17 -0.04 0.00 -1.05 0.00 0.00 58.31 57.34 3kwh n LYS 536 Cb 0.45 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 33.22 3kwh n LYS 536 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3kwh n SER 537 N -1.18 0.84 -4.91 -5.58 3.41 -1.26 -4.42 113.62 100.52 3kwh n SER 537 Ca 0.00 0.39 -0.27 0.00 -0.26 0.00 0.00 58.87 58.73 3kwh n SER 537 Cb 0.00 0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.03 3kwh n SER 537 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3kwh s LYS 538 N -2.77 3.55 -0.24 4.33 -0.14 0.21 -4.98 119.74 119.70 3kwh s LYS 538 Ca -0.04 0.12 -0.10 0.00 -1.36 0.00 0.00 55.97 54.59 3kwh s LYS 538 Cb 0.08 -2.43 -0.05 0.00 -1.68 0.00 0.00 37.83 33.75 3kwh s LYS 538 CO 0.82 -0.12 0.16 0.15 -0.76 0.00 0.00 175.35 175.59 3kwh s LYS 539 N -4.57 4.02 0.05 1.68 1.02 -1.26 -4.47 119.74 116.21 3kwh s LYS 539 Ca 0.46 -0.29 0.04 0.00 0.02 0.00 0.00 55.97 56.20 3kwh s LYS 539 Cb -0.10 -3.53 -0.04 0.00 -0.52 0.00 0.00 37.83 33.64 3kwh s LYS 539 CO 0.42 0.02 -0.03 0.71 -0.92 0.00 0.00 175.35 175.55 3kwh s TYR 540 N 1.18 2.96 0.47 3.18 1.51 0.17 -4.66 117.35 122.16 3kwh s TYR 540 Ca 0.07 -0.02 -0.22 0.00 -1.01 0.00 0.00 57.07 55.90 3kwh s TYR 540 Cb -0.14 -1.58 -0.08 0.00 -0.11 0.00 0.00 41.96 40.05 3kwh s TYR 540 CO 0.05 0.44 1.10 -1.25 -1.11 0.00 0.00 175.55 174.78 3kwh s PRO 541 N -1.87 3.78 -0.04 -1.71 0.04 -1.26 -0.79 135.00 133.15 3kwh s PRO 541 Ca 0.21 1.57 0.04 0.00 0.04 0.00 0.00 61.00 62.87 3kwh s PRO 541 Cb -0.11 -2.27 -0.00 0.00 0.04 0.00 0.00 34.50 32.15 3kwh s PRO 541 CO 0.13 -0.49 -0.15 -1.17 0.04 0.00 0.00 177.00 175.36 3kwh s LEU 542 N -3.22 1.90 -0.24 -3.56 0.20 -0.65 -1.77 118.68 111.34 3kwh s LEU 542 Ca 0.65 -0.31 -0.05 0.00 0.69 0.00 0.00 54.13 55.11 3kwh s LEU 542 Cb -0.23 -0.87 -0.01 0.00 -0.43 0.00 0.00 46.19 44.65 3kwh s LEU 542 CO 0.28 0.14 0.01 -0.22 -0.29 0.00 0.00 176.35 176.26 3kwh s LEU 543 N 0.04 3.17 -0.30 -0.68 0.20 -0.01 0.19 118.68 121.28 3kwh s LEU 543 Ca -0.03 -0.34 -0.20 0.00 0.69 0.00 0.00 54.13 54.25 3kwh s LEU 543 Cb -0.10 -1.82 -0.01 0.00 -0.43 0.00 0.00 46.19 43.83 3kwh s LEU 543 CO 0.02 -0.04 0.63 -0.22 -0.29 0.00 0.00 176.35 176.45 3kwh s LEU 544 N 1.53 4.14 -0.39 -0.68 0.20 -0.16 -0.07 118.68 123.25 3kwh s LEU 544 Ca 0.06 0.45 -0.15 0.00 0.69 0.00 0.00 54.13 55.18 3kwh s LEU 544 Cb -0.15 -2.83 0.01 0.00 -0.43 0.00 0.00 46.19 42.80 3kwh s LEU 544 CO -0.00 -0.48 0.32 -0.62 -0.29 0.00 0.00 176.35 175.28 3kwh s ASP 545 N 1.63 6.12 0.05 3.68 2.15 0.26 -2.01 116.67 128.55 3kwh s ASP 545 Ca 0.25 -0.70 0.08 0.00 0.43 0.00 0.00 52.55 52.61 3kwh s ASP 545 Cb -0.15 -2.17 -0.03 0.00 -0.30 0.00 0.00 42.92 40.27 3kwh s ASP 545 CO 0.12 -0.42 -0.19 -0.69 -0.17 0.00 0.00 175.17 173.81 3kwh s VAL 546 N 1.81 2.70 0.00 1.11 1.01 -0.70 -4.31 120.40 122.02 3kwh s VAL 546 Ca 0.07 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.80 3kwh s VAL 546 Cb -0.18 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.06 3kwh s VAL 546 CO 0.11 0.32 0.00 0.00 0.00 0.00 0.00 175.10 175.53 3kwh n TYR 547 N 1.51 0.00 -1.04 5.22 9.36 -1.26 -4.31 117.16 126.65 3kwh n TYR 547 Ca -0.16 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.04 3kwh n TYR 547 Cb 0.52 0.03 -0.01 0.00 -0.63 0.00 0.00 39.34 39.25 3kwh n TYR 547 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3kwh n ALA 548 N -1.33 -0.02 -1.83 2.98 0.00 -1.26 -3.09 120.51 115.96 3kwh n ALA 548 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.16 3kwh n ALA 548 Cb 0.00 -0.47 0.05 0.00 0.00 0.00 0.00 19.45 19.03 3kwh n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kwh s GLY 549 N -2.31 1.63 0.05 0.00 0.00 -1.26 -4.82 107.32 100.61 3kwh s GLY 549 Ca 0.00 -0.29 -0.36 0.00 0.00 0.00 0.00 44.72 44.06 3kwh s GLY 549 CO 0.00 0.08 1.47 -1.05 0.00 0.00 0.00 173.10 173.59 3kwh n PRO 550 N -3.05 1.42 -1.99 2.90 -0.02 -1.26 -1.63 135.00 131.36 3kwh n PRO 550 Ca 0.07 0.51 -0.12 0.00 -2.02 0.00 0.00 63.50 61.94 3kwh n PRO 550 Cb 0.57 -2.20 -0.02 0.00 -0.02 0.00 0.00 33.50 31.83 3kwh n PRO 550 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kwh s SER 552 N -2.56 6.35 -0.14 0.00 1.04 -0.65 -4.45 113.70 113.29 3kwh s SER 552 Ca 0.00 0.35 -0.04 0.00 0.48 0.00 0.00 55.95 56.74 3kwh s SER 552 Cb 0.00 -1.99 0.06 0.00 0.10 0.00 0.00 66.02 64.19 3kwh s SER 552 CO 0.00 -0.12 0.10 -1.58 0.98 0.00 0.00 173.24 172.62 3kwh s GLN 553 N -3.75 0.05 -0.01 4.02 0.74 -1.26 -2.42 119.66 117.02 3kwh s GLN 553 Ca 0.38 0.08 0.21 0.00 0.05 0.00 0.00 55.36 56.08 3kwh s GLN 553 Cb -0.10 -1.40 -0.27 0.00 1.10 0.00 0.00 33.01 32.34 3kwh s GLN 553 CO 0.31 -0.58 0.69 1.63 -0.55 0.00 0.00 175.29 176.80 3kwh n LYS 554 N 5.29 0.38 -3.68 1.67 4.76 -1.26 -4.83 118.16 120.48 3kwh n LYS 554 Ca -0.06 -0.09 -0.39 0.00 -2.87 0.00 0.00 58.31 54.90 3kwh n LYS 554 Cb 0.49 -1.49 -0.12 0.00 -1.84 0.00 0.00 35.03 32.08 3kwh n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kwh s ALA 555 N -3.19 3.16 0.10 7.82 0.00 -1.26 -4.84 121.76 123.54 3kwh s ALA 555 Ca 0.01 -1.82 -0.02 0.00 0.00 0.00 0.00 51.96 50.13 3kwh s ALA 555 Cb 0.15 -2.43 0.01 0.00 0.00 0.00 0.00 23.12 20.84 3kwh s ALA 555 CO 0.87 -1.41 0.16 -0.40 0.00 0.00 0.00 175.76 174.98 3kwh n ASP 556 N 4.88 -0.47 -1.66 0.00 5.68 -1.26 -4.40 116.55 119.32 3kwh n ASP 556 Ca -0.12 -1.49 -0.08 0.00 -0.50 0.00 0.00 54.79 52.60 3kwh n ASP 556 Cb 0.45 0.83 0.24 0.00 -1.14 0.00 0.00 41.12 41.49 3kwh n ASP 556 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3kwh n THR 557 N -0.15 2.81 -2.97 2.12 -2.24 -0.79 -4.96 114.28 108.10 3kwh n THR 557 Ca -0.01 -2.06 -0.36 0.00 -2.27 0.00 0.00 64.05 59.35 3kwh n THR 557 Cb 0.16 -0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 67.97 3kwh n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kwh s VAL 558 N -3.12 4.42 -0.28 2.28 1.01 -1.26 -2.53 120.40 120.91 3kwh s VAL 558 Ca 0.51 1.51 -0.21 0.00 0.00 0.00 0.00 61.98 63.79 3kwh s VAL 558 Cb 0.43 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 3kwh s VAL 558 CO 0.08 0.18 0.68 0.12 0.00 0.00 0.00 175.10 176.16 3kwh s PHE 559 N -1.57 3.24 -0.02 5.22 5.36 0.11 -4.90 117.98 125.43 3kwh s PHE 559 Ca 0.46 0.76 0.05 0.00 -0.96 0.00 0.00 56.93 57.24 3kwh s PHE 559 Cb -0.17 -2.99 -0.01 0.00 -0.34 0.00 0.00 43.02 39.51 3kwh s PHE 559 CO 0.22 -0.44 -0.16 1.03 -1.46 0.00 0.00 175.22 174.41 3kwh s ARG 560 N 2.67 1.47 -0.44 10.12 0.52 -1.26 -4.93 118.95 127.09 3kwh s ARG 560 Ca 0.28 -0.58 -0.07 0.00 -0.52 0.00 0.00 55.73 54.84 3kwh s ARG 560 Cb -0.15 -1.36 0.11 0.00 0.52 0.00 0.00 34.95 34.07 3kwh s ARG 560 CO 0.10 0.30 0.29 -0.51 0.02 0.00 0.00 175.30 175.50 3kwh s LEU 561 N -0.19 5.46 0.00 2.53 1.43 -1.26 -4.85 118.68 121.80 3kwh s LEU 561 Ca 0.02 -1.86 0.00 0.00 -1.03 0.00 0.00 54.13 51.26 3kwh s LEU 561 Cb -0.08 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.18 3kwh s LEU 561 CO 0.00 -0.62 0.00 -0.46 0.23 0.00 0.00 176.35 175.50 3kwh n ASN 562 N 4.82 0.00 0.12 2.29 0.23 -1.26 -5.00 115.26 116.47 3kwh n ASN 562 Ca -0.07 -0.04 -0.14 0.00 -0.53 0.00 0.00 54.58 53.80 3kwh n ASN 562 Cb 0.41 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.03 3kwh n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 3kwh h TRP 563 N 0.04 -0.23 -1.05 -2.53 7.01 -1.97 -1.86 115.95 115.36 3kwh h TRP 563 Ca 0.00 -0.01 0.28 0.00 2.11 0.00 0.00 58.89 61.27 3kwh h TRP 563 Cb 0.00 0.07 -0.09 0.00 -2.10 0.00 0.00 29.16 27.05 3kwh h TRP 563 CO 0.00 -0.06 0.69 0.00 -2.79 0.00 0.00 178.44 176.28 3kwh h ALA 564 N 0.47 2.35 -0.36 2.65 0.00 -1.98 0.46 119.26 122.84 3kwh h ALA 564 Ca -0.02 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3kwh h ALA 564 Cb 0.26 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 3kwh h ALA 564 CO 0.04 -0.74 0.02 1.15 0.00 0.00 0.00 179.25 179.71 3kwh h THR 565 N 0.34 0.75 -0.38 0.00 2.02 -1.67 -2.12 112.91 111.84 3kwh h THR 565 Ca 0.59 -0.04 -0.10 0.00 0.77 0.00 0.00 66.41 67.63 3kwh h THR 565 Cb 1.60 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 3kwh h THR 565 CO -0.26 0.02 -0.13 0.22 0.37 0.00 0.00 175.52 175.74 3kwh h TYR 566 N 0.12 0.87 -0.73 3.16 3.20 -0.01 -2.02 116.97 121.55 3kwh h TYR 566 Ca 0.18 -0.20 0.08 0.00 3.14 0.00 0.00 58.73 61.93 3kwh h TYR 566 Cb 0.24 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.25 3kwh h TYR 566 CO -0.24 0.92 0.48 -0.07 -1.64 0.00 0.00 178.16 177.62 3kwh h LEU 567 N 0.57 0.61 0.00 2.82 3.38 -0.70 -1.40 115.31 120.59 3kwh h LEU 567 Ca 0.09 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3kwh h LEU 567 Cb 0.67 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3kwh h LEU 567 CO 0.05 0.37 -0.00 0.00 0.09 0.00 0.00 178.44 178.95 3kwh h ALA 568 N 1.62 -0.00 -0.29 1.53 0.00 -1.33 -0.91 119.26 119.87 3kwh h ALA 568 Ca 0.33 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3kwh h ALA 568 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kwh h ALA 568 CO -0.11 -0.01 -0.21 1.03 0.00 0.00 0.00 179.25 179.94 3kwh h SER 569 N -0.98 0.69 0.06 0.00 0.87 -1.07 -1.67 113.55 111.45 3kwh h SER 569 Ca -0.00 -0.44 -0.37 0.00 -1.23 0.00 0.00 61.79 59.75 3kwh h SER 569 Cb 0.84 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.57 3kwh h SER 569 CO 0.00 0.98 -2.10 0.41 -0.53 0.00 0.00 176.83 175.59 3kwh n THR 570 N -4.34 1.65 0.67 2.23 -1.04 -0.55 -4.57 114.28 108.33 3kwh n THR 570 Ca -0.04 -0.54 0.12 0.00 -2.04 0.00 0.00 64.05 61.56 3kwh n THR 570 Cb 0.42 -1.69 0.18 0.00 -1.82 0.00 0.00 70.33 67.42 3kwh n THR 570 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3kwh n GLU 571 N -3.59 2.40 -3.81 -2.82 -0.58 -0.95 -4.96 120.64 106.33 3kwh n GLU 571 Ca -0.38 -2.07 -0.26 0.00 -0.42 0.00 0.00 57.16 54.03 3kwh n GLU 571 Cb 0.98 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 30.38 3kwh n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3kwh n ASN 572 N 1.37 -2.77 -4.49 1.62 3.02 -0.63 -4.92 115.26 108.47 3kwh n ASN 572 Ca 0.17 -0.81 -0.34 0.00 -0.03 0.00 0.00 54.58 53.56 3kwh n ASN 572 Cb 0.59 -3.92 -0.12 0.00 -0.61 0.00 0.00 39.78 35.72 3kwh n ASN 572 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kwh s ILE 573 N -3.52 4.06 0.19 2.41 1.01 -0.42 -4.51 121.20 120.42 3kwh s ILE 573 Ca 0.30 -0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.37 3kwh s ILE 573 Cb -0.15 -2.81 -0.08 0.00 0.01 0.00 0.00 42.46 39.42 3kwh s ILE 573 CO 0.82 0.45 1.24 -0.63 0.00 0.00 0.00 174.94 176.82 3kwh s ILE 574 N 0.69 3.43 -0.26 2.92 1.01 -0.73 -3.43 121.20 124.84 3kwh s ILE 574 Ca -0.00 1.20 0.03 0.00 0.00 0.00 0.00 60.65 61.88 3kwh s ILE 574 Cb -0.14 -3.77 0.06 0.00 0.01 0.00 0.00 42.46 38.62 3kwh s ILE 574 CO 0.02 0.19 -0.09 -0.69 0.00 0.00 0.00 174.94 174.38 3kwh s VAL 575 N -0.03 2.02 -0.03 2.92 1.01 -1.00 -0.83 120.40 124.46 3kwh s VAL 575 Ca 0.54 -1.58 0.01 0.00 0.00 0.00 0.00 61.98 60.95 3kwh s VAL 575 Cb -0.34 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 3kwh s VAL 575 CO 0.38 -0.08 -0.03 0.00 0.00 0.00 0.00 175.10 175.37 3kwh s ALA 576 N 1.16 3.17 0.18 5.51 0.00 0.90 -1.27 121.76 131.41 3kwh s ALA 576 Ca -0.07 -0.93 0.09 0.00 0.00 0.00 0.00 51.96 51.05 3kwh s ALA 576 Cb -0.20 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 3kwh s ALA 576 CO -0.06 0.62 -0.19 -1.12 0.00 0.00 0.00 175.76 175.01 3kwh s SER 577 N -1.27 2.89 -0.02 0.00 0.01 -0.90 0.90 113.70 115.32 3kwh s SER 577 Ca 0.16 -0.89 -0.02 0.00 1.31 0.00 0.00 55.95 56.51 3kwh s SER 577 Cb -0.11 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 65.94 3kwh s SER 577 CO 0.07 -0.01 0.06 0.12 0.41 0.00 0.00 173.24 173.88 3kwh s PHE 578 N -2.10 -0.06 -0.44 2.43 5.36 -1.26 -1.72 117.98 120.18 3kwh s PHE 578 Ca 0.19 0.15 -0.02 0.00 -0.96 0.00 0.00 56.93 56.29 3kwh s PHE 578 Cb -0.06 0.01 0.12 0.00 -0.34 0.00 0.00 43.02 42.75 3kwh s PHE 578 CO 0.08 -0.03 0.23 -0.51 -1.46 0.00 0.00 175.22 173.53 3kwh s ASP 579 N 0.09 5.18 0.00 6.13 1.01 0.03 -4.77 116.67 124.34 3kwh s ASP 579 Ca -0.01 -2.21 0.00 0.00 0.71 0.00 0.00 52.55 51.04 3kwh s ASP 579 Cb -0.01 -1.81 0.00 0.00 1.01 0.00 0.00 42.92 42.11 3kwh s ASP 579 CO -0.00 -0.49 0.00 0.61 0.21 0.00 0.00 175.17 175.50 3kwh n GLY 580 N 4.33 2.97 3.59 0.21 0.00 -1.26 -3.77 105.19 111.27 3kwh n GLY 580 Ca 0.00 -2.04 -0.45 0.00 0.00 0.00 0.00 46.02 43.54 3kwh n GLY 580 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kwh n ARG 581 N 0.00 1.34 0.00 1.61 1.74 -1.26 -0.82 116.66 119.27 3kwh n ARG 581 Ca 0.00 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 3kwh n ARG 581 Cb 0.00 -1.84 0.00 0.00 -1.02 0.00 0.00 32.46 29.60 3kwh n ARG 581 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kwh n GLY 582 N 1.25 2.61 3.72 -0.13 0.00 0.41 -4.14 105.19 108.91 3kwh n GLY 582 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 3kwh n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kwh s SER 583 N -1.58 2.37 0.20 1.61 1.04 -0.00 -1.65 113.70 115.69 3kwh s SER 583 Ca 0.00 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.21 3kwh s SER 583 Cb 0.00 -1.18 -0.00 0.00 0.10 0.00 0.00 66.02 64.94 3kwh s SER 583 CO 0.00 -3.24 0.01 0.61 0.98 0.00 0.00 173.24 171.60 3kwh n GLY 584 N -1.81 3.92 2.45 7.32 0.00 -1.02 -3.65 105.19 112.41 3kwh n GLY 584 Ca 0.10 -2.25 -0.17 0.00 0.00 0.00 0.00 46.02 43.70 3kwh n GLY 584 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kwh n TYR 585 N -0.50 -0.19 -2.02 1.61 4.01 -1.26 -4.79 117.16 114.00 3kwh n TYR 585 Ca -0.08 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.69 3kwh n TYR 585 Cb 0.26 -3.05 0.05 0.00 -0.31 0.00 0.00 39.34 36.29 3kwh n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3kwh n GLN 586 N -2.54 0.35 0.00 -0.72 6.02 -1.26 -4.54 117.38 114.69 3kwh n GLN 586 Ca -0.18 -1.84 0.00 0.00 -0.01 0.00 0.00 57.00 54.97 3kwh n GLN 586 Cb 0.58 -0.57 0.00 0.00 1.02 0.00 0.00 30.24 31.27 3kwh n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kwh n GLY 587 N -0.12 -0.42 0.08 1.08 0.00 -1.26 -4.56 105.19 99.98 3kwh n GLY 587 Ca 0.06 -1.80 -0.05 0.00 0.00 0.00 0.00 46.02 44.23 3kwh n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kwh h ASP 588 N 0.00 0.00 -0.40 1.61 5.19 -1.01 -2.56 116.42 119.26 3kwh h ASP 588 Ca 0.00 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.49 3kwh h ASP 588 Cb 0.00 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.44 3kwh h ASP 588 CO 0.00 0.88 -0.07 0.50 -3.12 0.00 0.00 179.24 177.43 3kwh h LYS 589 N 0.00 0.03 -0.09 3.56 3.64 -1.84 0.11 116.57 121.98 3kwh h LYS 589 Ca -0.12 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.18 3kwh h LYS 589 Cb 1.78 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.59 3kwh h LYS 589 CO 0.09 0.02 -0.23 0.82 -2.27 0.00 0.00 179.45 177.88 3kwh h ILE 590 N 0.03 1.41 -0.10 2.00 2.04 -1.80 -3.14 117.51 117.95 3kwh h ILE 590 Ca 0.19 -1.57 -0.18 0.00 1.00 0.00 0.00 64.86 64.31 3kwh h ILE 590 Cb 0.29 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 3kwh h ILE 590 CO -0.38 0.45 -0.69 -0.03 0.00 0.00 0.00 178.15 177.50 3kwh h MET 591 N -0.15 0.41 -0.01 2.37 4.05 -0.98 0.12 114.93 120.75 3kwh h MET 591 Ca -0.00 -0.32 0.00 0.00 -0.28 0.00 0.00 59.70 59.10 3kwh h MET 591 Cb 0.84 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.70 3kwh h MET 591 CO 0.05 0.95 -0.02 0.72 0.23 0.00 0.00 176.91 178.84 3kwh n HIS 592 N -3.86 0.00 0.18 1.39 8.25 0.34 -4.19 115.22 117.32 3kwh n HIS 592 Ca -0.04 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.53 3kwh n HIS 592 Cb 0.68 -0.01 0.58 0.00 1.12 0.00 0.00 29.99 32.36 3kwh n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kwh n ALA 593 N 0.13 1.10 -0.44 -1.41 0.00 -1.13 -0.67 120.51 118.07 3kwh n ALA 593 Ca 0.18 0.19 0.07 0.00 0.00 0.00 0.00 53.44 53.88 3kwh n ALA 593 Cb 0.36 -1.32 0.21 0.00 0.00 0.00 0.00 19.45 18.70 3kwh n ALA 593 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3kwh n ILE 594 N -2.25 1.42 -1.67 0.00 0.13 -1.26 -4.91 119.36 110.82 3kwh n ILE 594 Ca -0.01 -1.24 -0.46 0.00 -1.10 0.00 0.00 62.75 59.94 3kwh n ILE 594 Cb 0.05 0.27 -0.04 0.00 -0.84 0.00 0.00 39.64 39.08 3kwh n ILE 594 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 3kwh n ASN 595 N 0.40 3.15 -0.42 9.51 5.15 0.15 -1.35 115.26 131.85 3kwh n ASN 595 Ca 0.16 1.08 -0.04 0.00 -0.60 0.00 0.00 54.58 55.18 3kwh n ASN 595 Cb 0.61 -1.43 -0.02 0.00 -0.53 0.00 0.00 39.78 38.41 3kwh n ASN 595 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3kwh n ARG 596 N 3.53 -1.77 -2.57 1.20 1.74 0.54 -4.76 116.66 114.58 3kwh n ARG 596 Ca 0.17 0.43 -0.13 0.00 -0.77 0.00 0.00 57.85 57.55 3kwh n ARG 596 Cb 0.29 -4.28 0.03 0.00 -1.02 0.00 0.00 32.46 27.48 3kwh n ARG 596 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kwh n ARG 597 N -0.16 2.18 -1.86 5.56 1.74 -0.46 -4.91 116.66 118.75 3kwh n ARG 597 Ca -0.04 -3.74 -0.39 0.00 -0.77 0.00 0.00 57.85 52.91 3kwh n ARG 597 Cb 0.33 -1.72 0.03 0.00 -1.02 0.00 0.00 32.46 30.08 3kwh n ARG 597 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kwh s LEU 598 N -3.45 3.96 0.00 0.55 1.43 -1.22 -2.73 118.68 117.21 3kwh s LEU 598 Ca 0.35 2.74 0.00 0.00 -1.03 0.00 0.00 54.13 56.20 3kwh s LEU 598 Cb 0.41 -4.16 0.00 0.00 0.03 0.00 0.00 46.19 42.46 3kwh s LEU 598 CO -0.03 -1.36 0.00 0.61 0.23 0.00 0.00 176.35 175.80 3kwh n GLY 599 N 0.66 0.74 0.00 -3.19 0.00 -1.26 -4.85 105.19 97.29 3kwh n GLY 599 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3kwh n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kwh n THR 600 N -2.51 0.00 -0.38 2.61 -2.24 -1.11 -4.66 114.28 106.00 3kwh n THR 600 Ca 0.00 0.00 0.29 0.00 -2.27 0.00 0.00 64.05 62.07 3kwh n THR 600 Cb 0.00 0.00 0.56 0.00 -2.10 0.00 0.00 70.33 68.79 3kwh n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3kwh h PHE 601 N 0.00 0.68 -0.68 4.78 0.04 -1.91 1.51 116.94 121.35 3kwh h PHE 601 Ca 0.00 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.75 3kwh h PHE 601 Cb 0.00 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 37.94 3kwh h PHE 601 CO 0.00 -0.13 0.24 1.05 -0.60 0.00 0.00 178.31 178.87 3kwh h GLU 602 N 0.24 1.02 0.45 1.51 9.09 -1.89 -0.62 114.58 124.38 3kwh h GLU 602 Ca 0.73 -0.19 -0.02 0.00 0.05 0.00 0.00 59.36 59.93 3kwh h GLU 602 Cb 2.02 -0.16 0.00 0.00 -1.65 0.00 0.00 28.75 28.96 3kwh h GLU 602 CO -0.44 0.86 -0.22 0.28 0.05 0.00 0.00 179.01 179.54 3kwh h VAL 603 N 1.00 0.00 -0.88 -1.06 2.07 0.18 -3.07 116.25 114.49 3kwh h VAL 603 Ca 0.23 -0.49 0.21 0.00 0.82 0.00 0.00 66.70 67.47 3kwh h VAL 603 Cb 0.24 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.85 3kwh h VAL 603 CO -0.01 0.00 -0.01 -0.33 0.02 0.00 0.00 177.57 177.23 3kwh h GLU 604 N -1.10 0.06 -0.51 1.57 5.08 -1.12 -0.24 114.58 118.31 3kwh h GLU 604 Ca -0.06 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3kwh h GLU 604 Cb 0.47 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 3kwh h GLU 604 CO 0.10 0.04 0.34 -0.44 -1.00 0.00 0.00 179.01 178.05 3kwh h ASP 605 N 0.06 0.48 -0.43 1.42 3.32 -1.08 -0.96 116.42 119.22 3kwh h ASP 605 Ca 0.50 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.40 3kwh h ASP 605 Cb 0.93 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 3kwh h ASP 605 CO -0.81 0.33 -0.28 1.56 -1.72 0.00 0.00 179.24 178.32 3kwh h GLN 606 N 0.56 0.96 0.10 3.56 1.08 -0.94 -0.90 115.11 119.51 3kwh h GLN 606 Ca 0.21 -0.45 0.01 0.00 -1.45 0.00 0.00 58.65 56.97 3kwh h GLN 606 Cb 0.14 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 3kwh h GLN 606 CO -0.05 1.11 -0.10 0.82 -0.95 0.00 0.00 178.83 179.65 3kwh h ILE 607 N 0.79 0.76 -0.90 2.54 2.04 -1.14 -2.04 117.51 119.57 3kwh h ILE 607 Ca 0.09 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.04 3kwh h ILE 607 Cb 0.86 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.64 3kwh h ILE 607 CO 0.08 0.00 0.58 -0.08 0.00 0.00 0.00 178.15 178.73 3kwh h GLU 608 N -0.23 0.90 -0.83 2.37 4.57 -1.10 -1.23 114.58 119.03 3kwh h GLU 608 Ca 0.01 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 3kwh h GLU 608 Cb 0.22 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 3kwh h GLU 608 CO -0.04 0.59 0.36 0.00 -1.18 0.00 0.00 179.01 178.75 3kwh h ALA 609 N 1.54 1.08 -0.25 2.92 0.00 -0.69 0.14 119.26 124.00 3kwh h ALA 609 Ca 0.41 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 3kwh h ALA 609 Cb 0.36 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3kwh h ALA 609 CO -0.17 0.67 -0.46 0.00 0.00 0.00 0.00 179.25 179.29 3kwh h ALA 610 N 1.20 0.72 -0.10 0.00 0.00 -0.65 0.20 119.26 120.63 3kwh h ALA 610 Ca 0.28 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3kwh h ALA 610 Cb 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3kwh h ALA 610 CO -0.03 0.67 0.04 0.00 0.00 0.00 0.00 179.25 179.93 3kwh h ARG 611 N 0.52 0.09 -0.92 0.00 3.08 -0.79 -1.78 114.38 114.57 3kwh h ARG 611 Ca 0.03 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.14 3kwh h ARG 611 Cb 1.00 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.97 3kwh h ARG 611 CO 0.09 0.06 0.60 1.96 -1.07 0.00 0.00 179.97 181.62 3kwh h GLN 612 N 0.10 1.03 -0.10 0.04 1.08 -0.61 -1.15 115.11 115.50 3kwh h GLN 612 Ca 0.04 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 3kwh h GLN 612 Cb 0.02 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.20 3kwh h GLN 612 CO -0.04 0.68 -0.12 0.74 -0.95 0.00 0.00 178.83 179.15 3kwh h PHE 613 N 1.06 0.15 -0.21 2.96 0.04 -0.14 -2.52 116.94 118.28 3kwh h PHE 613 Ca 0.39 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 61.11 3kwh h PHE 613 Cb 0.18 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 3kwh h PHE 613 CO -0.00 0.27 -0.02 0.77 -0.60 0.00 0.00 178.31 178.73 3kwh h SER 614 N 0.14 0.37 0.00 2.17 0.02 -0.50 -2.99 113.55 112.76 3kwh h SER 614 Ca 0.03 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 3kwh h SER 614 Cb 0.30 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3kwh h SER 614 CO 0.02 0.61 0.00 0.29 -1.14 0.00 0.00 176.83 176.61 3kwh n LYS 615 N -4.66 0.00 -0.77 3.45 5.02 -0.96 -4.09 118.16 116.16 3kwh n LYS 615 Ca -0.04 0.95 -0.36 0.00 -2.02 0.00 0.00 58.31 56.83 3kwh n LYS 615 Cb 0.25 -1.46 -0.07 0.00 -0.02 0.00 0.00 35.03 33.73 3kwh n LYS 615 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kwh n MET 616 N -2.82 0.00 0.00 1.97 2.81 -1.13 -4.71 117.12 113.24 3kwh n MET 616 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3kwh n MET 616 Cb 0.00 -0.90 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 3kwh n MET 616 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kwh n GLY 617 N 4.36 0.17 0.93 3.03 0.00 -1.26 -3.42 105.19 109.01 3kwh n GLY 617 Ca 0.32 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.42 3kwh n GLY 617 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3kwh n PHE 618 N -0.02 0.86 -5.21 1.61 1.16 -1.26 -4.73 117.46 109.88 3kwh n PHE 618 Ca 0.00 -0.67 -0.32 0.00 -1.87 0.00 0.00 57.45 54.60 3kwh n PHE 618 Cb 0.05 -0.18 -0.16 0.00 -1.61 0.00 0.00 39.48 37.58 3kwh n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3kwh s VAL 619 N -1.87 2.16 -0.56 1.97 1.01 -1.22 0.44 120.40 122.34 3kwh s VAL 619 Ca 0.36 -1.01 -0.27 0.00 0.00 0.00 0.00 61.98 61.06 3kwh s VAL 619 Cb 0.25 -1.80 0.03 0.00 0.00 0.00 0.00 36.38 34.86 3kwh s VAL 619 CO 0.15 0.56 1.12 -0.62 0.00 0.00 0.00 175.10 176.31 3kwh s ASP 620 N 0.01 6.44 0.00 3.32 3.68 0.03 -4.74 116.67 125.41 3kwh s ASP 620 Ca -0.08 0.04 0.17 0.00 2.13 0.00 0.00 52.55 54.80 3kwh s ASP 620 Cb -0.15 -2.52 0.99 0.00 -1.45 0.00 0.00 42.92 39.78 3kwh s ASP 620 CO 0.05 -1.38 1.41 -0.46 0.13 0.00 0.00 175.17 174.92 3kwh n ASN 621 N 8.11 0.00 -0.07 -0.34 2.04 -1.26 -1.24 115.26 122.50 3kwh n ASN 621 Ca 0.07 -0.68 0.12 0.00 -0.44 0.00 0.00 54.58 53.65 3kwh n ASN 621 Cb 0.49 0.00 0.25 0.00 -2.53 0.00 0.00 39.78 37.99 3kwh n ASN 621 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 3kwh n LYS 622 N -0.93 0.22 -3.37 -3.83 5.02 -1.26 -4.52 118.16 109.49 3kwh n LYS 622 Ca 0.12 -0.13 -0.26 0.00 -2.02 0.00 0.00 58.31 56.02 3kwh n LYS 622 Cb 0.06 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.49 3kwh n LYS 622 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kwh n ARG 623 N -1.27 1.25 -5.13 1.97 1.74 -0.37 -4.87 116.66 109.97 3kwh n ARG 623 Ca 0.07 -3.76 -0.30 0.00 -0.77 0.00 0.00 57.85 53.09 3kwh n ARG 623 Cb 0.34 -1.71 -0.17 0.00 -1.02 0.00 0.00 32.46 29.91 3kwh n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kwh s ILE 624 N -1.35 1.90 0.36 0.55 1.01 -1.26 -1.63 121.20 120.78 3kwh s ILE 624 Ca 0.35 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 60.08 3kwh s ILE 624 Cb 0.12 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 3kwh s ILE 624 CO -0.11 0.53 0.09 0.00 0.00 0.00 0.00 174.94 175.45 3kwh s ALA 625 N 0.13 2.61 -0.05 9.38 0.00 0.13 -2.03 121.76 131.93 3kwh s ALA 625 Ca -0.11 -1.64 -0.09 0.00 0.00 0.00 0.00 51.96 50.12 3kwh s ALA 625 Cb -0.15 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.70 3kwh s ALA 625 CO 0.06 -0.32 0.22 -1.50 0.00 0.00 0.00 175.76 174.21 3kwh s ILE 626 N -3.28 0.04 0.12 0.00 2.07 -0.68 -0.99 121.20 118.48 3kwh s ILE 626 Ca 0.30 -0.30 -0.13 0.00 -1.41 0.00 0.00 60.65 59.11 3kwh s ILE 626 Cb 0.06 -0.42 0.02 0.00 0.13 0.00 0.00 42.46 42.24 3kwh s ILE 626 CO 0.15 -0.17 0.32 -1.66 -1.91 0.00 0.00 174.94 171.67 3kwh s TRP 627 N -0.62 0.01 0.14 3.50 1.48 -0.85 -0.42 118.94 122.18 3kwh s TRP 627 Ca -0.07 -0.38 -0.25 0.00 -1.06 0.00 0.00 56.10 54.34 3kwh s TRP 627 Cb -0.04 0.12 0.07 0.00 -1.16 0.00 0.00 33.47 32.45 3kwh s TRP 627 CO 0.01 -0.67 0.89 0.20 -4.06 0.00 0.00 176.95 173.32 3kwh s GLY 628 N -2.85 -0.29 -0.03 3.67 0.00 -0.65 -1.71 107.32 105.46 3kwh s GLY 628 Ca 0.06 0.29 0.05 0.00 0.00 0.00 0.00 44.72 45.12 3kwh s GLY 628 CO -0.09 0.07 -0.18 0.86 0.00 0.00 0.00 173.10 173.76 3kwh s TRP 629 N -3.37 1.72 0.00 1.90 -0.11 -1.25 -0.75 118.94 117.08 3kwh s TRP 629 Ca 0.10 -0.40 0.00 0.00 1.22 0.00 0.00 56.10 57.02 3kwh s TRP 629 Cb -0.02 -1.13 0.00 0.00 -1.50 0.00 0.00 33.47 30.82 3kwh s TRP 629 CO -0.01 -0.09 0.00 0.45 -4.62 0.00 0.00 176.95 172.68 3kwh n SER 630 N 2.83 0.00 -0.33 5.86 2.88 -0.30 -0.10 113.62 124.46 3kwh n SER 630 Ca -0.16 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.52 3kwh n SER 630 Cb 0.53 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 64.36 3kwh n SER 630 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3kwh h TYR 631 N 0.00 0.94 -0.88 0.66 5.03 -1.86 0.88 116.97 121.75 3kwh h TYR 631 Ca 0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 3kwh h TYR 631 Cb 0.00 -0.28 -0.04 0.00 1.55 0.00 0.00 36.73 37.95 3kwh h TYR 631 CO 0.00 0.23 0.55 0.78 -1.32 0.00 0.00 178.16 178.39 3kwh h GLY 632 N 0.69 1.26 0.80 1.82 0.00 -0.44 -0.38 103.07 106.81 3kwh h GLY 632 Ca 0.55 -0.50 0.03 0.00 0.00 0.00 0.00 47.33 47.41 3kwh h GLY 632 CO -0.32 0.49 0.28 -1.33 0.00 0.00 0.00 176.54 175.66 3kwh h GLY 633 N 1.20 0.71 0.96 4.60 0.00 -0.73 -0.47 103.07 109.35 3kwh h GLY 633 Ca 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 3kwh h GLY 633 CO -0.06 0.15 0.21 -1.82 0.00 0.00 0.00 176.54 175.02 3kwh h TYR 634 N 0.55 0.57 -0.19 5.60 3.20 -0.02 -1.88 116.97 124.80 3kwh h TYR 634 Ca 0.21 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 3kwh h TYR 634 Cb 0.08 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 3kwh h TYR 634 CO -0.08 0.45 -0.04 0.28 -1.64 0.00 0.00 178.16 177.12 3kwh h VAL 635 N 0.52 1.28 -0.75 1.81 2.07 -0.90 -0.68 116.25 119.60 3kwh h VAL 635 Ca 0.14 -1.00 0.12 0.00 0.82 0.00 0.00 66.70 66.78 3kwh h VAL 635 Cb 0.08 1.56 -0.08 0.00 -1.52 0.00 0.00 31.29 31.33 3kwh h VAL 635 CO -0.02 0.30 0.34 0.74 0.02 0.00 0.00 177.57 178.95 3kwh h THR 636 N 0.08 0.75 -0.14 2.57 2.02 -0.95 0.92 112.91 118.17 3kwh h THR 636 Ca 0.05 -0.18 -0.15 0.00 0.77 0.00 0.00 66.41 66.89 3kwh h THR 636 Cb 0.48 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 3kwh h THR 636 CO 0.02 0.10 -0.57 0.28 0.37 0.00 0.00 175.52 175.72 3kwh h SER 637 N 0.54 0.49 -0.29 4.18 0.02 -1.15 0.61 113.55 117.94 3kwh h SER 637 Ca 0.39 -0.27 -0.13 0.00 -0.84 0.00 0.00 61.79 60.94 3kwh h SER 637 Cb 0.51 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3kwh h SER 637 CO -0.34 0.95 -0.30 0.24 -1.14 0.00 0.00 176.83 176.24 3kwh h MET 638 N 0.33 0.80 0.15 3.45 2.86 0.52 -2.28 114.93 120.76 3kwh h MET 638 Ca 0.00 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.27 3kwh h MET 638 Cb 1.09 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.74 3kwh h MET 638 CO 0.10 1.00 -0.07 0.28 1.06 0.00 0.00 176.91 179.27 3kwh h VAL 639 N 0.68 0.98 -0.49 -2.22 2.07 0.12 -2.78 116.25 114.62 3kwh h VAL 639 Ca 0.08 -0.70 0.14 0.00 0.82 0.00 0.00 66.70 67.04 3kwh h VAL 639 Cb 0.84 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 3kwh h VAL 639 CO 0.07 0.16 0.42 -0.07 0.02 0.00 0.00 177.57 178.17 3kwh h LEU 640 N -0.55 0.00 -2.86 2.57 3.38 0.25 -0.26 115.31 117.84 3kwh h LEU 640 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3kwh h LEU 640 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3kwh h LEU 640 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 3kwh n GLY 641 N -1.56 2.50 0.13 0.83 0.00 -0.86 -4.40 105.19 101.83 3kwh n GLY 641 Ca 0.09 -0.80 0.13 0.00 0.00 0.00 0.00 46.02 45.43 3kwh n GLY 641 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kwh h SER 642 N 4.06 0.00 0.00 1.61 4.64 -0.76 -3.43 113.55 119.67 3kwh h SER 642 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3kwh h SER 642 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3kwh h SER 642 CO 0.14 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.71 3kwh n GLY 643 N 1.26 0.50 0.29 -0.77 0.00 -1.26 -4.94 105.19 100.27 3kwh n GLY 643 Ca 0.05 -0.63 0.18 0.00 0.00 0.00 0.00 46.02 45.63 3kwh n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kwh h SER 644 N 0.00 0.00 0.00 1.61 4.64 -1.89 -3.46 113.55 114.45 3kwh h SER 644 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kwh h SER 644 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kwh h SER 644 CO 0.00 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 3kwh n GLY 645 N -0.32 1.79 0.32 -0.77 0.00 -1.26 -4.76 105.19 100.19 3kwh n GLY 645 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 3kwh n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kwh h VAL 646 N 0.00 1.26 -3.20 1.61 2.07 -1.98 -3.44 116.25 112.58 3kwh h VAL 646 Ca 0.00 -0.95 -0.64 0.00 0.82 0.00 0.00 66.70 65.92 3kwh h VAL 646 Cb 0.00 0.54 -0.10 0.00 -1.52 0.00 0.00 31.29 30.21 3kwh h VAL 646 CO 0.00 0.37 -0.61 -0.36 0.02 0.00 0.00 177.57 176.99 3kwh s PHE 647 N -5.30 3.18 -0.18 1.57 0.40 -1.26 -4.73 117.98 111.65 3kwh s PHE 647 Ca -0.12 0.09 -0.05 0.00 -0.60 0.00 0.00 56.93 56.25 3kwh s PHE 647 Cb 0.15 -1.64 -0.22 0.00 0.51 0.00 0.00 43.02 41.82 3kwh s PHE 647 CO 0.84 0.52 0.14 1.17 0.70 0.00 0.00 175.22 178.59 3kwh n LYS 648 N 0.66 0.71 -3.61 0.44 4.81 -0.86 -4.87 118.16 115.44 3kwh n LYS 648 Ca -0.10 0.25 -0.10 0.00 -0.87 0.00 0.00 58.31 57.48 3kwh n LYS 648 Cb 0.52 -1.64 -0.03 0.00 0.02 0.00 0.00 35.03 33.90 3kwh n LYS 648 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kwh s GLY 650 N -2.82 -0.23 -0.06 0.00 0.00 -0.83 -1.68 107.32 101.69 3kwh s GLY 650 Ca 0.05 -0.06 0.03 0.00 0.00 0.00 0.00 44.72 44.73 3kwh s GLY 650 CO -0.07 -0.08 -0.13 -0.42 0.00 0.00 0.00 173.10 172.40 3kwh s ILE 651 N -3.86 1.20 -0.21 0.90 1.01 0.44 -1.94 121.20 118.74 3kwh s ILE 651 Ca 0.08 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.21 3kwh s ILE 651 Cb -0.03 -1.08 0.03 0.00 0.01 0.00 0.00 42.46 41.39 3kwh s ILE 651 CO -0.02 0.37 -0.16 0.00 0.00 0.00 0.00 174.94 175.13 3kwh s ALA 652 N 0.55 2.43 -0.18 9.38 0.00 0.65 -1.63 121.76 132.97 3kwh s ALA 652 Ca -0.13 -1.37 -0.02 0.00 0.00 0.00 0.00 51.96 50.45 3kwh s ALA 652 Cb -0.15 -1.34 -0.01 0.00 0.00 0.00 0.00 23.12 21.62 3kwh s ALA 652 CO 0.04 -0.59 -0.10 0.08 0.00 0.00 0.00 175.76 175.19 3kwh s VAL 653 N 1.26 3.09 -1.36 0.00 1.01 0.08 -1.42 120.40 123.06 3kwh s VAL 653 Ca 0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 3kwh s VAL 653 Cb -0.15 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.90 3kwh s VAL 653 CO -0.10 0.48 0.85 0.00 0.00 0.00 0.00 175.10 176.33 3kwh n ALA 654 N 4.20 -1.76 -1.79 5.51 0.00 -0.59 -1.15 120.51 124.92 3kwh n ALA 654 Ca -0.18 -0.01 -0.36 0.00 0.00 0.00 0.00 53.44 52.89 3kwh n ALA 654 Cb 0.52 -2.98 -0.06 0.00 0.00 0.00 0.00 19.45 16.93 3kwh n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kwh s PRO 655 N -6.11 4.42 0.24 0.00 0.04 -1.26 -3.36 135.00 128.97 3kwh s PRO 655 Ca 0.23 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.25 3kwh s PRO 655 Cb -0.11 -2.57 -0.09 0.00 0.04 0.00 0.00 34.50 31.77 3kwh s PRO 655 CO 0.80 0.13 0.97 0.08 0.04 0.00 0.00 177.00 179.02 3kwh s VAL 656 N -1.80 3.98 0.00 -0.36 1.01 -1.26 -4.36 120.40 117.61 3kwh s VAL 656 Ca 0.55 1.98 0.00 0.00 0.00 0.00 0.00 61.98 64.51 3kwh s VAL 656 Cb -0.16 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.96 3kwh s VAL 656 CO 0.21 0.47 0.00 -1.54 0.00 0.00 0.00 175.10 174.23 3kwh n SER 657 N 1.49 2.58 -3.67 3.32 3.41 -1.26 -4.30 113.62 115.19 3kwh n SER 657 Ca -0.02 -0.20 -0.08 0.00 -0.26 0.00 0.00 58.87 58.31 3kwh n SER 657 Cb 0.47 0.92 -0.09 0.00 -0.26 0.00 0.00 64.21 65.25 3kwh n SER 657 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3kwh s ARG 658 N -1.44 0.44 0.58 4.33 3.52 -1.26 -2.09 118.95 123.04 3kwh s ARG 658 Ca 0.00 1.03 0.36 0.00 -0.13 0.00 0.00 55.73 56.99 3kwh s ARG 658 Cb 0.00 0.24 1.66 0.00 -1.56 0.00 0.00 34.95 35.29 3kwh s ARG 658 CO 0.00 -0.19 2.10 -1.49 -0.81 0.00 0.00 175.30 174.91 3kwh h TRP 659 N 7.58 0.00 0.00 5.12 4.06 -1.88 -0.46 115.95 130.37 3kwh h TRP 659 Ca -0.26 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.69 3kwh h TRP 659 Cb 1.15 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.31 3kwh h TRP 659 CO 0.22 0.03 0.00 0.39 -3.56 0.00 0.00 178.44 175.51 3kwh n GLU 660 N -3.17 0.02 -0.01 0.49 1.02 -1.26 -2.40 120.64 115.33 3kwh n GLU 660 Ca -0.01 0.18 -0.10 0.00 -0.02 0.00 0.00 57.16 57.22 3kwh n GLU 660 Cb 0.24 -1.54 -0.14 0.00 -0.02 0.00 0.00 31.44 29.98 3kwh n GLU 660 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 3kwh h TYR 661 N 0.00 0.05 -4.10 -0.32 0.05 -1.46 -3.31 116.97 107.88 3kwh h TYR 661 Ca 0.00 -0.04 -0.45 0.00 0.05 0.00 0.00 58.73 58.30 3kwh h TYR 661 Cb 0.35 -0.00 0.15 0.00 1.01 0.00 0.00 36.73 38.24 3kwh h TYR 661 CO 0.00 1.07 0.37 -0.47 -1.05 0.00 0.00 178.16 178.08 3kwh s TYR 662 N -2.61 1.82 0.79 4.88 5.04 -1.01 -4.77 117.35 121.49 3kwh s TYR 662 Ca -0.05 0.48 -0.12 0.00 -2.44 0.00 0.00 57.07 54.94 3kwh s TYR 662 Cb 0.08 -3.84 0.07 0.00 0.35 0.00 0.00 41.96 38.62 3kwh s TYR 662 CO 0.82 -2.61 1.10 0.16 -1.34 0.00 0.00 175.55 173.69 3kwh s ASP 663 N -4.61 4.56 0.05 4.32 1.47 -1.26 -1.80 116.67 119.39 3kwh s ASP 663 Ca 0.70 1.25 -0.20 0.00 1.18 0.00 0.00 52.55 55.47 3kwh s ASP 663 Cb -0.07 -1.97 -0.13 0.00 -0.34 0.00 0.00 42.92 40.40 3kwh s ASP 663 CO 0.53 -1.92 1.38 0.77 0.68 0.00 0.00 175.17 176.61 3kwh h SER 664 N -1.05 0.37 -0.09 2.11 4.64 -1.07 -2.07 113.55 116.38 3kwh h SER 664 Ca -0.47 -0.44 -0.01 0.00 -0.47 0.00 0.00 61.79 60.40 3kwh h SER 664 Cb 1.27 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3kwh h SER 664 CO 0.60 0.73 0.00 0.58 -0.87 0.00 0.00 176.83 177.87 3kwh h VAL 665 N 0.01 1.25 0.03 0.95 2.07 -1.95 -1.60 116.25 117.01 3kwh h VAL 665 Ca 0.03 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 3kwh h VAL 665 Cb 0.60 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3kwh h VAL 665 CO 0.03 0.22 -0.01 0.22 0.02 0.00 0.00 177.57 178.05 3kwh h TYR 666 N -0.11 -0.03 -0.39 1.57 5.03 -1.93 -3.08 116.97 118.02 3kwh h TYR 666 Ca 0.03 -0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.28 3kwh h TYR 666 Cb 0.34 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.62 3kwh h TYR 666 CO 0.03 0.43 0.02 1.15 -1.32 0.00 0.00 178.16 178.47 3kwh h THR 667 N -0.51 1.26 0.00 1.81 2.02 -1.40 -2.21 112.91 113.88 3kwh h THR 667 Ca -0.00 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.21 3kwh h THR 667 Cb 0.48 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3kwh h THR 667 CO 0.01 0.33 0.00 -0.33 0.37 0.00 0.00 175.52 175.89 3kwh h GLU 668 N 0.51 0.00 -0.28 6.66 5.08 -1.41 0.14 114.58 125.28 3kwh h GLU 668 Ca 0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3kwh h GLU 668 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3kwh h GLU 668 CO 0.02 0.00 0.15 0.00 -1.00 0.00 0.00 179.01 178.18 3kwh h ARG 669 N 0.00 0.39 0.00 2.33 3.08 -1.30 -2.29 114.38 116.59 3kwh h ARG 669 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3kwh h ARG 669 Cb 0.46 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3kwh h ARG 669 CO 0.00 0.35 -1.84 0.66 -1.07 0.00 0.00 179.97 178.07 3kwh n TYR 670 N -4.82 0.09 0.10 3.04 4.01 -0.97 -4.64 117.16 113.97 3kwh n TYR 670 Ca -0.02 0.03 0.01 0.00 -0.16 0.00 0.00 57.90 57.76 3kwh n TYR 670 Cb 0.08 -0.51 0.00 0.00 -0.31 0.00 0.00 39.34 38.61 3kwh n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 3kwh n MET 671 N -2.25 1.11 0.00 -0.72 2.81 0.46 0.20 117.12 118.74 3kwh n MET 671 Ca -0.03 -0.48 0.00 0.00 -1.81 0.00 0.00 57.70 55.38 3kwh n MET 671 Cb 0.55 -0.93 0.00 0.00 -0.71 0.00 0.00 33.22 32.13 3kwh n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kwh n GLY 672 N 0.37 0.33 3.90 3.03 0.00 -0.86 -4.62 105.19 107.34 3kwh n GLY 672 Ca 0.01 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 3kwh n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kwh s LEU 673 N 0.00 4.29 -1.38 0.99 1.43 -1.26 -4.42 118.68 118.32 3kwh s LEU 673 Ca 0.00 0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 53.56 3kwh s LEU 673 Cb 0.00 -3.23 0.08 0.00 0.03 0.00 0.00 46.19 43.07 3kwh s LEU 673 CO 0.00 0.08 2.44 -0.81 0.23 0.00 0.00 176.35 178.29 3kwh n PRO 674 N 0.15 4.31 -4.41 1.29 -0.04 -1.26 -0.99 135.00 134.05 3kwh n PRO 674 Ca -0.03 -3.21 -0.23 0.00 -0.04 0.00 0.00 63.50 59.98 3kwh n PRO 674 Cb 0.52 -2.70 -0.11 0.00 -0.04 0.00 0.00 33.50 31.17 3kwh n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3kwh s THR 675 N -0.30 2.21 0.43 0.52 -4.23 -1.26 -4.68 115.64 108.33 3kwh s THR 675 Ca 0.56 -2.19 0.12 0.00 -1.18 0.00 0.00 61.69 59.00 3kwh s THR 675 Cb 0.17 -2.13 0.32 0.00 1.34 0.00 0.00 72.50 72.20 3kwh s THR 675 CO -0.08 -0.34 1.99 -0.65 -0.54 0.00 0.00 174.62 175.00 3kwh h PRO 676 N 2.73 0.43 0.00 3.99 0.11 -1.96 -0.89 132.00 136.42 3kwh h PRO 676 Ca -0.42 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 3kwh h PRO 676 Cb 1.23 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3kwh h PRO 676 CO 0.56 0.28 -0.06 1.05 -0.21 0.00 0.00 178.00 179.62 3kwh h GLU 677 N 0.44 0.00 0.00 1.05 4.11 -1.96 -3.43 114.58 114.79 3kwh h GLU 677 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 3kwh h GLU 677 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3kwh h GLU 677 CO -0.07 0.06 0.00 -3.47 0.07 0.00 0.00 179.01 175.60 3kwh n ASP 678 N -3.13 0.00 -0.38 3.06 -0.08 -0.74 -5.02 116.55 110.26 3kwh n ASP 678 Ca 0.02 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.38 3kwh n ASP 678 Cb 0.47 0.00 0.14 0.00 2.34 0.00 0.00 41.12 44.06 3kwh n ASP 678 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 3kwh n ASN 679 N 0.00 1.78 -0.27 1.67 4.05 -0.16 -4.87 115.26 117.45 3kwh n ASN 679 Ca 0.00 -3.12 0.03 0.00 0.45 0.00 0.00 54.58 51.93 3kwh n ASN 679 Cb 0.00 -0.42 0.16 0.00 1.23 0.00 0.00 39.78 40.75 3kwh n ASN 679 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 3kwh h LEU 680 N 0.37 0.55 0.07 1.20 5.85 -1.24 -2.96 115.31 119.15 3kwh h LEU 680 Ca -0.02 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3kwh h LEU 680 Cb 1.11 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 3kwh h LEU 680 CO 0.01 0.30 -0.47 0.44 -0.34 0.00 0.00 178.44 178.38 3kwh h ASP 681 N 0.67 -1.41 -0.36 1.25 3.32 -1.89 -1.99 116.42 116.01 3kwh h ASP 681 Ca 0.39 0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.56 3kwh h ASP 681 Cb 0.41 0.53 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 3kwh h ASP 681 CO -0.28 -0.51 0.13 -0.74 -1.72 0.00 0.00 179.24 176.13 3kwh h HIS 682 N -0.66 0.62 -0.88 4.55 2.76 -1.91 0.20 115.15 119.83 3kwh h HIS 682 Ca 0.02 -0.03 0.19 0.00 -2.20 0.00 0.00 60.37 58.35 3kwh h HIS 682 Cb 0.70 -0.19 -0.11 0.00 1.55 0.00 0.00 27.41 29.36 3kwh h HIS 682 CO -0.43 0.51 0.42 1.88 -1.30 0.00 0.00 177.93 179.01 3kwh h TYR 683 N 0.61 0.72 0.00 5.26 -1.99 -1.26 -1.33 116.97 118.97 3kwh h TYR 683 Ca 0.14 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.91 3kwh h TYR 683 Cb 0.19 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 38.74 3kwh h TYR 683 CO 0.01 0.05 -0.50 0.00 -0.00 0.00 0.00 178.16 177.72 3kwh h ARG 684 N 0.50 0.00 -0.08 4.88 -0.00 0.03 -3.21 114.38 116.51 3kwh h ARG 684 Ca 0.52 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 60.00 3kwh h ARG 684 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.87 3kwh h ARG 684 CO -0.46 0.00 0.00 -1.71 0.00 0.00 0.00 179.97 177.80 3kwh n ASN 685 N -2.87 1.89 -0.94 7.04 5.15 -0.25 -4.28 115.26 121.00 3kwh n ASN 685 Ca 0.02 -1.66 0.01 0.00 -0.60 0.00 0.00 54.58 52.35 3kwh n ASN 685 Cb 0.54 -0.04 0.21 0.00 -0.53 0.00 0.00 39.78 39.95 3kwh n ASN 685 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3kwh n SER 686 N 0.47 2.64 -4.91 1.20 3.41 -0.55 -5.02 113.62 110.87 3kwh n SER 686 Ca 0.18 -3.58 -0.29 0.00 -0.26 0.00 0.00 58.87 54.91 3kwh n SER 686 Cb 0.40 -0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 63.73 3kwh n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kwh s THR 687 N -3.13 5.10 0.20 6.66 -4.23 -1.26 -4.82 115.64 114.15 3kwh s THR 687 Ca 0.42 -0.03 0.12 0.00 -1.18 0.00 0.00 61.69 61.02 3kwh s THR 687 Cb 0.38 -3.69 -0.02 0.00 1.34 0.00 0.00 72.50 70.50 3kwh s THR 687 CO 0.01 -0.16 1.57 0.58 -0.54 0.00 0.00 174.62 176.07 3kwh h VAL 688 N 1.64 1.34 -0.53 2.29 2.07 -1.77 -3.26 116.25 118.04 3kwh h VAL 688 Ca -0.47 -2.23 -0.02 0.00 0.82 0.00 0.00 66.70 64.80 3kwh h VAL 688 Cb 1.18 2.24 -0.03 0.00 -1.52 0.00 0.00 31.29 33.17 3kwh h VAL 688 CO 0.69 0.62 0.26 0.24 0.02 0.00 0.00 177.57 179.39 3kwh h MET 689 N 0.00 0.74 0.00 1.57 2.86 -1.92 -2.52 114.93 115.67 3kwh h MET 689 Ca -0.01 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3kwh h MET 689 Cb 1.19 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.71 3kwh h MET 689 CO 0.08 0.57 0.00 0.66 1.06 0.00 0.00 176.91 179.29 3kwh h SER 690 N 0.74 0.00 -0.10 1.22 4.64 -1.94 -2.36 113.55 115.75 3kwh h SER 690 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3kwh h SER 690 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3kwh h SER 690 CO -0.03 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.47 3kwh n ARG 691 N -2.59 1.97 -0.33 4.77 1.74 -0.95 -4.60 116.66 116.67 3kwh n ARG 691 Ca 0.02 -1.43 0.05 0.00 -0.77 0.00 0.00 57.85 55.72 3kwh n ARG 691 Cb 0.30 -1.46 0.13 0.00 -1.02 0.00 0.00 32.46 30.40 3kwh n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kwh n ALA 692 N 0.70 0.21 -0.08 7.54 0.00 -0.89 -0.59 120.51 127.40 3kwh n ALA 692 Ca 0.17 1.01 0.17 0.00 0.00 0.00 0.00 53.44 54.80 3kwh n ALA 692 Cb 0.45 -0.60 0.59 0.00 0.00 0.00 0.00 19.45 19.88 3kwh n ALA 692 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3kwh h GLU 693 N 0.00 0.22 0.00 0.00 4.39 -1.87 -1.65 114.58 115.68 3kwh h GLU 693 Ca 0.44 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 60.07 3kwh h GLU 693 Cb 0.67 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 3kwh h GLU 693 CO -0.95 0.15 -0.26 -0.91 -1.16 0.00 0.00 179.01 175.88 3kwh h ASN 694 N 0.23 0.00 0.07 1.42 2.35 -1.12 -2.82 115.58 115.70 3kwh h ASN 694 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 3kwh h ASN 694 Cb 0.90 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.27 3kwh h ASN 694 CO -0.06 0.26 0.00 0.49 -1.65 0.00 0.00 177.43 176.47 3kwh n PHE 695 N -3.99 0.00 0.28 1.19 3.01 -0.62 -0.89 117.46 116.44 3kwh n PHE 695 Ca -0.02 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.61 3kwh n PHE 695 Cb 0.33 -0.47 0.71 0.00 -0.01 0.00 0.00 39.48 40.05 3kwh n PHE 695 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3kwh h LYS 696 N 0.00 0.00 0.00 -1.08 2.10 -1.69 -2.27 116.57 113.62 3kwh h LYS 696 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kwh h LYS 696 Cb 0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 3kwh h LYS 696 CO 0.00 0.02 0.00 1.04 -2.00 0.00 0.00 179.45 178.51 3kwh n GLN 697 N -3.12 0.05 -4.18 0.07 6.02 -0.07 -4.90 117.38 111.26 3kwh n GLN 697 Ca 0.00 0.06 -0.15 0.00 -0.01 0.00 0.00 57.00 56.90 3kwh n GLN 697 Cb 0.30 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.99 3kwh n GLN 697 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3kwh s VAL 698 N -2.94 0.00 -0.22 5.09 -7.23 -0.86 -4.96 120.40 109.29 3kwh s VAL 698 Ca 0.14 -1.82 -0.04 0.00 -1.81 0.00 0.00 61.98 58.46 3kwh s VAL 698 Cb 0.17 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 3kwh s VAL 698 CO 0.46 0.00 -0.04 -1.61 -0.31 0.00 0.00 175.10 173.59 3kwh s GLU 699 N -3.53 3.38 -0.02 4.82 2.02 -1.01 -4.98 118.70 119.38 3kwh s GLU 699 Ca 0.35 -0.62 0.07 0.00 0.02 0.00 0.00 54.97 54.79 3kwh s GLU 699 Cb 0.02 -3.00 -0.02 0.00 0.10 0.00 0.00 34.13 31.23 3kwh s GLU 699 CO 0.20 -0.19 -0.24 -0.47 0.02 0.00 0.00 175.26 174.59 3kwh s TYR 700 N 1.45 2.14 -0.13 1.61 5.04 -1.26 -1.97 117.35 124.23 3kwh s TYR 700 Ca 0.05 -0.44 0.00 0.00 -2.44 0.00 0.00 57.07 54.24 3kwh s TYR 700 Cb -0.14 -1.38 0.02 0.00 0.35 0.00 0.00 41.96 40.81 3kwh s TYR 700 CO -0.03 -0.06 -0.11 -1.17 -1.34 0.00 0.00 175.55 172.83 3kwh s LEU 701 N -0.48 1.47 -0.12 6.97 2.96 -0.82 -1.12 118.68 127.54 3kwh s LEU 701 Ca 0.07 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.61 3kwh s LEU 701 Cb -0.10 -1.02 0.00 0.00 0.50 0.00 0.00 46.19 45.58 3kwh s LEU 701 CO -0.00 -0.08 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.52 3kwh s LEU 702 N 1.53 2.20 0.00 -0.68 2.96 -0.55 -0.25 118.68 123.89 3kwh s LEU 702 Ca 0.04 -0.55 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 3kwh s LEU 702 Cb -0.13 -1.46 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 3kwh s LEU 702 CO -0.09 0.12 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.36 3kwh s ILE 703 N 0.56 0.58 -0.26 6.68 1.01 -0.51 -0.91 121.20 128.36 3kwh s ILE 703 Ca -0.12 -0.44 -0.23 0.00 0.00 0.00 0.00 60.65 59.86 3kwh s ILE 703 Cb -0.17 -0.51 0.07 0.00 0.01 0.00 0.00 42.46 41.86 3kwh s ILE 703 CO 0.04 0.07 0.68 -2.28 0.00 0.00 0.00 174.94 173.45 3kwh s HIS 704 N -0.36 -0.78 0.20 3.97 2.46 -0.84 -1.54 115.29 118.40 3kwh s HIS 704 Ca 0.01 1.85 -0.30 0.00 0.47 0.00 0.00 55.06 57.09 3kwh s HIS 704 Cb -0.04 0.30 -0.08 0.00 -0.13 0.00 0.00 32.58 32.63 3kwh s HIS 704 CO -0.00 -0.38 1.03 0.20 -2.47 0.00 0.00 174.74 173.12 3kwh s GLY 705 N 0.52 2.99 0.50 1.59 0.00 -1.26 -1.79 107.32 109.88 3kwh s GLY 705 Ca -0.01 0.73 0.29 0.00 0.00 0.00 0.00 44.72 45.73 3kwh s GLY 705 CO -0.02 1.46 1.90 -0.91 0.00 0.00 0.00 173.10 175.54 3kwh h THR 706 N 3.51 0.22 -0.71 0.90 1.35 -1.31 -3.02 112.91 113.85 3kwh h THR 706 Ca -0.45 -0.78 -0.48 0.00 -0.55 0.00 0.00 66.41 64.15 3kwh h THR 706 Cb 1.21 1.64 -0.30 0.00 -1.73 0.00 0.00 68.15 68.97 3kwh h THR 706 CO 0.70 0.09 -0.11 0.00 -0.25 0.00 0.00 175.52 175.94 3kwh n ALA 707 N -2.14 5.20 -2.13 6.62 0.00 -0.46 -4.73 120.51 122.86 3kwh n ALA 707 Ca 0.01 -3.51 -0.41 0.00 0.00 0.00 0.00 53.44 49.53 3kwh n ALA 707 Cb 0.37 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 3kwh n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kwh s ASP 708 N -2.77 5.70 0.00 0.00 -1.08 -1.14 -4.12 116.67 113.26 3kwh s ASP 708 Ca 0.53 0.59 0.31 0.00 -0.52 0.00 0.00 52.55 53.46 3kwh s ASP 708 Cb 0.44 -2.53 1.62 0.00 -1.46 0.00 0.00 42.92 40.99 3kwh s ASP 708 CO 0.01 -1.99 2.10 -0.90 0.52 0.00 0.00 175.17 174.91 3kwh n ASP 709 N 11.13 0.02 0.00 -0.34 5.75 -1.26 -3.82 116.55 128.03 3kwh n ASP 709 Ca 0.19 -0.41 0.00 0.00 -0.01 0.00 0.00 54.79 54.56 3kwh n ASP 709 Cb 0.50 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 3kwh n ASP 709 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3kwh n ASN 710 N -1.19 0.00 -4.37 -1.12 4.05 -1.26 -4.77 115.26 106.61 3kwh n ASN 710 Ca 0.17 0.01 -0.45 0.00 0.45 0.00 0.00 54.58 54.76 3kwh n ASN 710 Cb 0.21 -0.32 -0.03 0.00 1.23 0.00 0.00 39.78 40.86 3kwh n ASN 710 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3kwh s VAL 711 N -0.64 5.09 0.50 3.44 1.01 -1.26 -4.81 120.40 123.73 3kwh s VAL 711 Ca 0.00 -1.59 -0.22 0.00 0.00 0.00 0.00 61.98 60.17 3kwh s VAL 711 Cb 0.00 -4.52 -0.08 0.00 0.00 0.00 0.00 36.38 31.79 3kwh s VAL 711 CO 0.00 -1.13 1.02 1.41 0.00 0.00 0.00 175.10 176.40 3kwh n HIS 712 N 5.54 1.12 0.28 5.22 8.25 -1.25 -4.74 115.22 129.65 3kwh n HIS 712 Ca 0.02 0.49 0.14 0.00 -0.26 0.00 0.00 57.72 58.12 3kwh n HIS 712 Cb 0.45 -2.21 0.86 0.00 1.12 0.00 0.00 29.99 30.21 3kwh n HIS 712 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3kwh h PHE 713 N 1.14 0.00 -1.19 4.41 3.57 -1.78 0.60 116.94 123.69 3kwh h PHE 713 Ca -0.47 0.00 0.36 0.00 3.53 0.00 0.00 57.97 61.39 3kwh h PHE 713 Cb 1.34 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.97 3kwh h PHE 713 CO 0.41 0.00 0.76 0.37 -2.23 0.00 0.00 178.31 177.63 3kwh h GLN 714 N 0.00 0.21 -0.56 1.11 4.15 -1.94 0.11 115.11 118.19 3kwh h GLN 714 Ca 0.01 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.33 3kwh h GLN 714 Cb 0.06 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 3kwh h GLN 714 CO -0.00 0.14 -0.01 1.96 -1.93 0.00 0.00 178.83 178.99 3kwh h GLN 715 N 0.22 0.97 0.00 1.69 4.20 -0.08 -1.69 115.11 120.42 3kwh h GLN 715 Ca 0.72 -0.30 -0.17 0.00 0.06 0.00 0.00 58.65 58.96 3kwh h GLN 715 Cb 2.09 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 29.75 3kwh h GLN 715 CO -0.37 0.96 -0.98 0.77 -0.67 0.00 0.00 178.83 178.54 3kwh h SER 716 N 0.89 0.00 -0.46 1.46 0.02 -1.20 -3.05 113.55 111.21 3kwh h SER 716 Ca 0.16 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3kwh h SER 716 Cb 0.54 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 3kwh h SER 716 CO 0.03 0.74 0.30 0.00 -1.14 0.00 0.00 176.83 176.77 3kwh h ALA 717 N 1.26 1.69 0.01 3.77 0.00 -0.52 0.47 119.26 125.93 3kwh h ALA 717 Ca -0.07 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 3kwh h ALA 717 Cb 1.63 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 3kwh h ALA 717 CO 0.08 0.28 -0.88 1.96 0.00 0.00 0.00 179.25 180.70 3kwh h GLN 718 N 0.61 0.14 -0.19 0.00 1.08 -1.33 -2.82 115.11 112.60 3kwh h GLN 718 Ca 0.17 -0.15 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 3kwh h GLN 718 Cb -0.05 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3kwh h GLN 718 CO -0.04 0.92 -0.00 0.82 -0.95 0.00 0.00 178.83 179.58 3kwh h ILE 719 N 0.07 1.26 -0.89 2.54 2.04 -1.03 -2.83 117.51 118.67 3kwh h ILE 719 Ca -0.04 -0.88 0.03 0.00 1.00 0.00 0.00 64.86 64.97 3kwh h ILE 719 Cb 1.51 1.47 -0.05 0.00 -0.74 0.00 0.00 36.82 39.01 3kwh h ILE 719 CO 0.13 0.27 0.59 0.77 0.00 0.00 0.00 178.15 179.90 3kwh h SER 720 N 0.08 0.98 0.91 1.72 4.64 -0.99 -1.50 113.55 119.40 3kwh h SER 720 Ca 0.05 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.28 3kwh h SER 720 Cb 0.40 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3kwh h SER 720 CO 0.01 0.68 -0.38 0.50 -0.87 0.00 0.00 176.83 176.77 3kwh h LYS 721 N 1.14 0.00 0.15 4.77 3.64 -1.45 -1.43 116.57 123.39 3kwh h LYS 721 Ca 0.35 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.45 3kwh h LYS 721 Cb -0.02 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3kwh h LYS 721 CO -0.10 0.38 -1.27 0.00 -2.27 0.00 0.00 179.45 176.19 3kwh h ALA 722 N 1.62 0.06 -0.23 5.00 0.00 -1.08 0.66 119.26 125.29 3kwh h ALA 722 Ca -0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 54.91 53.92 3kwh h ALA 722 Cb 0.94 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3kwh h ALA 722 CO 0.05 0.92 -0.35 -0.07 0.00 0.00 0.00 179.25 179.80 3kwh h LEU 723 N 0.09 0.51 -0.20 0.00 3.38 -1.15 -2.93 115.31 115.02 3kwh h LEU 723 Ca -0.15 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 3kwh h LEU 723 Cb 1.99 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.60 3kwh h LEU 723 CO 0.22 0.82 -0.20 0.58 0.09 0.00 0.00 178.44 179.95 3kwh h VAL 724 N 0.42 1.33 -0.06 1.22 2.07 -1.17 -1.89 116.25 118.17 3kwh h VAL 724 Ca 0.05 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 66.22 3kwh h VAL 724 Cb 0.81 1.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.35 3kwh h VAL 724 CO 0.07 0.42 0.10 0.44 0.02 0.00 0.00 177.57 178.61 3kwh h ASP 725 N 0.15 0.00 -0.18 0.57 3.32 -0.68 -2.13 116.42 117.46 3kwh h ASP 725 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3kwh h ASP 725 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 3kwh h ASP 725 CO 0.05 0.00 0.00 0.52 -1.72 0.00 0.00 179.24 178.09 3kwh n VAL 726 N -3.53 0.35 -2.24 -1.35 0.31 -1.13 -5.00 118.33 105.74 3kwh n VAL 726 Ca -0.01 -0.67 -0.05 0.00 -0.01 0.00 0.00 64.34 63.59 3kwh n VAL 726 Cb 0.19 1.03 0.00 0.00 -0.91 0.00 0.00 33.84 34.15 3kwh n VAL 726 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kwh n GLY 727 N 0.87 0.24 3.74 2.92 0.00 -0.80 -4.99 105.19 107.17 3kwh n GLY 727 Ca 0.11 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 3kwh n GLY 727 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kwh s VAL 728 N -2.43 5.37 0.53 1.61 1.01 -0.75 -5.05 120.40 120.68 3kwh s VAL 728 Ca 0.03 0.35 -0.09 0.00 0.00 0.00 0.00 61.98 62.27 3kwh s VAL 728 Cb -0.01 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3kwh s VAL 728 CO 0.04 0.44 0.89 -0.62 0.00 0.00 0.00 175.10 175.84 3kwh s ASP 729 N 0.27 6.30 0.07 3.32 2.15 -1.26 -4.57 116.67 122.95 3kwh s ASP 729 Ca 0.12 1.18 -0.27 0.00 0.43 0.00 0.00 52.55 54.01 3kwh s ASP 729 Cb -0.12 -2.36 0.09 0.00 -0.30 0.00 0.00 42.92 40.24 3kwh s ASP 729 CO 0.01 -0.67 1.14 0.72 -0.17 0.00 0.00 175.17 176.21 3kwh s PHE 730 N -2.86 -0.04 0.20 -5.34 -0.71 -1.26 -4.80 117.98 103.17 3kwh s PHE 730 Ca 0.51 -0.17 0.08 0.00 -1.04 0.00 0.00 56.93 56.31 3kwh s PHE 730 Cb -0.11 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.27 3kwh s PHE 730 CO 0.46 -0.55 -0.00 -0.65 -1.34 0.00 0.00 175.22 173.13 3kwh s GLN 731 N -2.62 2.37 0.15 1.99 -0.21 -0.27 -5.01 119.66 116.05 3kwh s GLN 731 Ca 0.16 -1.19 -0.07 0.00 0.02 0.00 0.00 55.36 54.28 3kwh s GLN 731 Cb 0.01 -2.30 -0.02 0.00 1.00 0.00 0.00 33.01 31.70 3kwh s GLN 731 CO -0.00 0.43 0.22 0.00 -2.12 0.00 0.00 175.29 173.82 3kwh s ALA 732 N -1.88 0.22 -0.30 6.09 0.00 -1.26 -1.48 121.76 123.15 3kwh s ALA 732 Ca 0.28 -1.03 -0.13 0.00 0.00 0.00 0.00 51.96 51.08 3kwh s ALA 732 Cb -0.08 0.85 0.13 0.00 0.00 0.00 0.00 23.12 24.02 3kwh s ALA 732 CO 0.19 -0.60 0.79 1.41 0.00 0.00 0.00 175.76 177.55 3kwh s MET 733 N -3.99 0.49 0.17 0.00 0.00 -0.08 -4.91 119.30 110.98 3kwh s MET 733 Ca 0.19 1.13 0.05 0.00 0.00 0.00 0.00 55.69 57.05 3kwh s MET 733 Cb 0.04 0.56 -0.04 0.00 0.00 0.00 0.00 34.83 35.40 3kwh s MET 733 CO 0.00 -0.15 0.18 1.67 0.00 0.00 0.00 175.02 176.72 3kwh s TRP 734 N 2.42 3.23 -0.25 4.11 -2.14 -1.26 -1.99 118.94 123.07 3kwh s TRP 734 Ca -0.06 0.01 0.02 0.00 2.66 0.00 0.00 56.10 58.73 3kwh s TRP 734 Cb -0.08 -1.54 0.06 0.00 -3.10 0.00 0.00 33.47 28.81 3kwh s TRP 734 CO -0.18 0.52 -0.08 0.71 -2.66 0.00 0.00 176.95 175.25 3kwh s TYR 735 N -1.78 2.90 0.12 1.66 2.02 -0.74 -4.87 117.35 116.67 3kwh s TYR 735 Ca 0.32 -2.10 -0.31 0.00 -0.37 0.00 0.00 57.07 54.61 3kwh s TYR 735 Cb -0.10 -1.80 -0.07 0.00 -0.40 0.00 0.00 41.96 39.58 3kwh s TYR 735 CO 0.25 -0.84 1.30 0.95 -1.57 0.00 0.00 175.55 175.64 3kwh s THR 736 N 1.22 3.53 0.00 -0.71 -4.23 -1.26 -1.51 115.64 112.68 3kwh s THR 736 Ca -0.07 1.14 0.00 0.00 -1.18 0.00 0.00 61.69 61.58 3kwh s THR 736 Cb -0.19 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 69.92 3kwh s THR 736 CO -0.06 0.11 0.00 0.47 -0.54 0.00 0.00 174.62 174.61 3kwh n ASP 737 N 3.57 -2.24 -4.91 3.99 8.00 -1.26 -4.89 116.55 118.81 3kwh n ASP 737 Ca 0.09 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.32 3kwh n ASP 737 Cb 0.44 -0.82 -0.01 0.00 -0.02 0.00 0.00 41.12 40.71 3kwh n ASP 737 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3kwh s GLU 738 N -0.29 3.56 0.00 -1.24 0.41 -1.22 -4.68 118.70 115.24 3kwh s GLU 738 Ca 0.00 0.07 0.00 0.00 -0.41 0.00 0.00 54.97 54.63 3kwh s GLU 738 Cb 0.00 -2.48 0.00 0.00 -1.78 0.00 0.00 34.13 29.87 3kwh s GLU 738 CO 0.00 -0.05 0.00 -0.40 -0.49 0.00 0.00 175.26 174.32 3kwh n ASP 739 N -1.88 0.21 0.24 -0.19 5.68 -1.26 -1.35 116.55 118.00 3kwh n ASP 739 Ca -0.01 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.38 3kwh n ASP 739 Cb 0.55 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.14 3kwh n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 3kwh h HIS 740 N 0.00 0.00 0.00 2.11 -0.00 -1.91 -2.76 115.15 112.60 3kwh h HIS 740 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3kwh h HIS 740 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 3kwh h HIS 740 CO 0.00 0.18 -0.38 0.41 -0.00 0.00 0.00 177.93 178.15 3kwh n GLY 741 N -0.63 -1.53 3.52 5.26 0.00 -1.26 -4.96 105.19 105.60 3kwh n GLY 741 Ca -0.02 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 3kwh n GLY 741 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kwh n ILE 742 N -2.17 -1.48 0.20 -0.61 5.41 -1.04 -4.85 119.36 114.81 3kwh n ILE 742 Ca 0.04 -0.15 0.02 0.00 1.00 0.00 0.00 62.75 63.67 3kwh n ILE 742 Cb 0.44 -1.30 0.00 0.00 -0.71 0.00 0.00 39.64 38.07 3kwh n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kwh n ALA 743 N -2.29 2.52 -1.70 -1.39 0.00 -1.26 -3.89 120.51 112.49 3kwh n ALA 743 Ca -0.11 -0.37 -0.40 0.00 0.00 0.00 0.00 53.44 52.56 3kwh n ALA 743 Cb 0.32 -0.16 0.03 0.00 0.00 0.00 0.00 19.45 19.64 3kwh n ALA 743 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kwh n SER 744 N -0.28 2.38 -0.30 0.00 3.41 -1.26 -4.67 113.62 112.91 3kwh n SER 744 Ca 0.02 1.03 0.09 0.00 -0.26 0.00 0.00 58.87 59.75 3kwh n SER 744 Cb 0.10 -1.51 0.25 0.00 -0.26 0.00 0.00 64.21 62.79 3kwh n SER 744 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3kwh h SER 745 N 1.68 0.44 -0.39 4.04 4.64 -1.99 0.21 113.55 122.18 3kwh h SER 745 Ca -0.49 0.12 -0.15 0.00 -0.47 0.00 0.00 61.79 60.80 3kwh h SER 745 Cb 1.31 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 3kwh h SER 745 CO 0.58 0.13 -0.33 0.71 -0.87 0.00 0.00 176.83 177.05 3kwh h THR 746 N 0.53 1.27 -0.51 2.95 1.35 -1.98 -0.80 112.91 115.72 3kwh h THR 746 Ca 0.50 -1.49 -0.11 0.00 -0.55 0.00 0.00 66.41 64.75 3kwh h THR 746 Cb 0.81 1.35 -0.02 0.00 -1.73 0.00 0.00 68.15 68.56 3kwh h THR 746 CO -0.43 0.50 -0.11 0.00 -0.25 0.00 0.00 175.52 175.23 3kwh h ALA 747 N 0.78 0.71 0.10 6.62 0.00 -1.60 -0.53 119.26 125.34 3kwh h ALA 747 Ca 0.07 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3kwh h ALA 747 Cb 0.91 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3kwh h ALA 747 CO 0.08 0.62 -0.05 1.25 0.00 0.00 0.00 179.25 181.15 3kwh h HIS 748 N 0.85 -0.12 -0.82 0.00 2.76 -0.88 -0.52 115.15 116.42 3kwh h HIS 748 Ca 0.13 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.39 3kwh h HIS 748 Cb 0.67 0.04 -0.06 0.00 1.55 0.00 0.00 27.41 29.62 3kwh h HIS 748 CO 0.05 -0.02 0.53 1.96 -1.30 0.00 0.00 177.93 179.15 3kwh h GLN 749 N -0.20 0.76 -0.01 5.26 4.20 -1.03 -2.63 115.11 121.46 3kwh h GLN 749 Ca -0.01 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.51 3kwh h GLN 749 Cb 0.16 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 27.78 3kwh h GLN 749 CO 0.02 0.50 -0.53 1.25 -0.67 0.00 0.00 178.83 179.40 3kwh h HIS 750 N 0.78 0.55 -0.36 2.96 2.76 -0.46 -0.82 115.15 120.56 3kwh h HIS 750 Ca 0.37 -0.29 -0.06 0.00 -2.20 0.00 0.00 60.37 58.19 3kwh h HIS 750 Cb 0.42 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 3kwh h HIS 750 CO -0.00 1.10 -0.02 0.97 -1.30 0.00 0.00 177.93 178.69 3kwh h ILE 751 N -0.16 1.26 -0.14 6.26 2.10 -1.03 0.79 117.51 126.61 3kwh h ILE 751 Ca -0.06 -1.02 -0.08 0.00 1.08 0.00 0.00 64.86 64.78 3kwh h ILE 751 Cb 1.24 1.20 -0.01 0.00 -1.09 0.00 0.00 36.82 38.16 3kwh h ILE 751 CO 0.10 0.34 -0.26 1.88 -1.08 0.00 0.00 178.15 179.13 3kwh h TYR 752 N 0.46 0.27 0.18 2.19 0.05 -1.54 0.25 116.97 118.82 3kwh h TYR 752 Ca 0.10 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 3kwh h TYR 752 Cb 0.49 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.16 3kwh h TYR 752 CO 0.04 0.49 -0.09 1.15 -1.05 0.00 0.00 178.16 178.70 3kwh h THR 753 N 0.22 0.89 -0.10 -2.88 2.02 -0.72 -1.92 112.91 110.41 3kwh h THR 753 Ca 0.03 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3kwh h THR 753 Cb 0.58 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3kwh h THR 753 CO 0.04 0.07 0.02 -0.74 0.37 0.00 0.00 175.52 175.27 3kwh h HIS 754 N -0.37 0.13 0.09 3.16 -0.00 -0.00 -1.13 115.15 117.03 3kwh h HIS 754 Ca -0.02 -0.00 -0.26 0.00 -0.00 0.00 0.00 60.37 60.08 3kwh h HIS 754 Cb 0.29 -0.04 0.01 0.00 -0.00 0.00 0.00 27.41 27.67 3kwh h HIS 754 CO -0.03 0.13 -1.16 0.52 -0.00 0.00 0.00 177.93 177.40 3kwh h MET 755 N 0.14 0.36 0.30 5.26 2.07 -0.48 -2.91 114.93 119.67 3kwh h MET 755 Ca 0.04 -0.51 -0.00 0.00 -2.07 0.00 0.00 59.70 57.15 3kwh h MET 755 Cb 0.07 0.18 -0.02 0.00 -1.87 0.00 0.00 31.60 29.96 3kwh h MET 755 CO -0.00 1.21 -0.28 0.77 1.07 0.00 0.00 176.91 179.68 3kwh h SER 756 N 0.15 -0.74 -0.91 1.22 0.02 -0.40 -0.69 113.55 112.20 3kwh h SER 756 Ca -0.13 0.06 0.22 0.00 -0.84 0.00 0.00 61.79 61.10 3kwh h SER 756 Cb 1.85 0.25 -0.06 0.00 0.14 0.00 0.00 62.40 64.57 3kwh h SER 756 CO 0.20 -0.40 0.61 0.45 -1.14 0.00 0.00 176.83 176.54 3kwh h HIS 757 N -0.60 0.47 -0.00 3.45 3.86 -1.44 0.08 115.15 120.97 3kwh h HIS 757 Ca -0.01 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3kwh h HIS 757 Cb 0.54 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.87 3kwh h HIS 757 CO -0.17 0.12 -0.09 0.35 0.86 0.00 0.00 177.93 179.00 3kwh h PHE 758 N 0.35 0.09 -0.29 2.45 3.04 -1.01 -2.72 116.94 118.86 3kwh h PHE 758 Ca 0.47 -0.05 -0.00 0.00 3.98 0.00 0.00 57.97 62.37 3kwh h PHE 758 Cb 1.27 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.75 3kwh h PHE 758 CO -0.00 0.81 0.17 0.82 -2.02 0.00 0.00 178.31 178.09 3kwh h ILE 759 N -0.65 1.11 -0.50 1.41 1.08 -0.87 -1.66 117.51 117.43 3kwh h ILE 759 Ca -0.01 -0.25 0.10 0.00 -0.39 0.00 0.00 64.86 64.30 3kwh h ILE 759 Cb 0.83 0.76 -0.08 0.00 -3.07 0.00 0.00 36.82 35.26 3kwh h ILE 759 CO 0.02 0.10 -0.01 0.11 -0.69 0.00 0.00 178.15 177.68 3kwh h LYS 760 N 0.36 0.10 0.00 2.37 1.57 -1.01 0.81 116.57 120.78 3kwh h LYS 760 Ca 0.10 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 3kwh h LYS 760 Cb 0.02 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3kwh h LYS 760 CO -0.02 0.06 -0.52 -0.56 -0.57 0.00 0.00 179.45 177.85 3kwh h GLN 761 N 0.10 0.00 0.00 3.15 -0.00 -1.40 0.18 115.11 117.14 3kwh h GLN 761 Ca 0.25 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.84 3kwh h GLN 761 Cb 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.85 3kwh h GLN 761 CO -0.43 0.52 -0.28 0.00 -0.00 0.00 0.00 178.83 178.64 3kwh n PHE 763 N -3.73 0.78 -3.80 0.00 3.72 0.16 -4.96 117.46 109.62 3kwh n PHE 763 Ca -0.01 -0.45 -0.27 0.00 -0.05 0.00 0.00 57.45 56.67 3kwh n PHE 763 Cb 0.38 -0.01 0.04 0.00 -0.94 0.00 0.00 39.48 38.95 3kwh n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3kwh n SER 764 N 1.40 -4.13 -4.37 4.37 7.64 -0.67 -4.99 113.62 112.88 3kwh n SER 764 Ca 0.21 -0.75 -0.33 0.00 1.01 0.00 0.00 58.87 59.01 3kwh n SER 764 Cb 0.58 -4.15 -0.14 0.00 -1.01 0.00 0.00 64.21 59.49 3kwh n SER 764 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3kwh s LEU 765 N -7.12 2.82 0.00 -3.43 1.43 0.55 -5.02 118.68 107.91 3kwh s LEU 765 Ca 0.48 -0.32 0.31 0.00 -1.03 0.00 0.00 54.13 53.57 3kwh s LEU 765 Cb -0.23 -1.66 1.62 0.00 0.03 0.00 0.00 46.19 45.95 3kwh s LEU 765 CO 0.81 0.12 2.07 -2.65 0.23 0.00 0.00 176.35 176.93