#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 0.15 -1.68 -1.46 3.00 -1.26 -4.96 116.66 110.45 3kwh n ARG 40 Ca 0.00 0.08 -0.32 0.00 -0.01 0.00 0.00 57.85 57.60 3kwh n ARG 40 Cb 0.00 -1.51 0.05 0.00 0.00 0.00 0.00 32.46 31.00 3kwh n ARG 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 3kwh s LYS 41 N -2.29 2.87 0.25 5.56 -2.85 -1.23 -4.63 119.74 117.41 3kwh s LYS 41 Ca 0.59 1.17 -0.01 0.00 -1.00 0.00 0.00 55.97 56.72 3kwh s LYS 41 Cb -0.35 -1.97 -0.04 0.00 -2.06 0.00 0.00 37.83 33.41 3kwh s LYS 41 CO 0.64 -1.17 0.45 -0.08 0.10 0.00 0.00 175.35 175.29 3kwh s THR 42 N -2.69 5.16 -0.43 3.79 -1.32 -1.26 -0.42 115.64 118.47 3kwh s THR 42 Ca 0.62 -0.35 -0.28 0.00 -1.21 0.00 0.00 61.69 60.47 3kwh s THR 42 Cb -0.17 -3.76 0.00 0.00 -1.51 0.00 0.00 72.50 67.06 3kwh s THR 42 CO 0.47 -0.28 1.55 -0.47 -2.21 0.00 0.00 174.62 173.68 3kwh s TYR 43 N -2.00 2.16 0.38 9.09 5.04 -1.26 -4.86 117.35 125.90 3kwh s TYR 43 Ca 0.39 0.64 0.02 0.00 -2.44 0.00 0.00 57.07 55.68 3kwh s TYR 43 Cb -0.11 -4.26 -0.02 0.00 0.35 0.00 0.00 41.96 37.93 3kwh s TYR 43 CO 0.30 -2.27 0.57 0.95 -1.34 0.00 0.00 175.55 173.76 3kwh s THR 44 N 6.19 4.48 0.32 4.34 -4.23 -1.26 -3.91 115.64 121.56 3kwh s THR 44 Ca 0.65 -0.63 0.05 0.00 -1.18 0.00 0.00 61.69 60.59 3kwh s THR 44 Cb -0.15 -3.62 0.30 0.00 1.34 0.00 0.00 72.50 70.37 3kwh s THR 44 CO 0.31 -0.37 1.83 0.25 -0.54 0.00 0.00 174.62 176.10 3kwh h LEU 45 N 0.67 0.79 -0.76 4.79 5.85 -1.93 0.46 115.31 125.18 3kwh h LEU 45 Ca -0.48 0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.19 3kwh h LEU 45 Cb 1.24 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3kwh h LEU 45 CO 0.58 0.38 -0.50 0.74 -0.34 0.00 0.00 178.44 179.30 3kwh h THR 46 N 0.82 1.13 -0.00 1.05 2.02 -1.98 -1.95 112.91 113.99 3kwh h THR 46 Ca 0.50 -1.88 -0.00 0.00 0.77 0.00 0.00 66.41 65.79 3kwh h THR 46 Cb 0.68 2.09 -0.00 0.00 -1.74 0.00 0.00 68.15 69.18 3kwh h THR 46 CO -0.27 0.49 0.00 0.44 0.37 0.00 0.00 175.52 176.56 3kwh h ASP 47 N 0.00 0.01 -0.47 4.18 3.32 -0.47 -1.95 116.42 121.04 3kwh h ASP 47 Ca -0.01 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3kwh h ASP 47 Cb 1.05 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 3kwh h ASP 47 CO 0.07 0.07 0.30 0.22 -1.72 0.00 0.00 179.24 178.17 3kwh h TYR 48 N -0.06 0.60 -0.58 4.55 3.20 -1.23 -1.86 116.97 121.59 3kwh h TYR 48 Ca 0.00 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 3kwh h TYR 48 Cb 0.06 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 3kwh h TYR 48 CO -0.06 0.40 0.15 -0.07 -1.64 0.00 0.00 178.16 176.95 3kwh h LEU 49 N 0.63 0.88 -1.42 2.82 4.07 -1.29 -2.96 115.31 118.03 3kwh h LEU 49 Ca 0.17 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.90 3kwh h LEU 49 Cb -0.04 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.47 3kwh h LEU 49 CO -0.03 0.88 0.00 0.29 -1.08 0.00 0.00 178.44 178.49 3kwh n LYS 50 N -4.38 1.93 -3.55 1.13 5.02 -0.74 -4.96 118.16 112.61 3kwh n LYS 50 Ca 0.03 -1.40 -0.20 0.00 -2.02 0.00 0.00 58.31 54.72 3kwh n LYS 50 Cb 0.23 -1.42 0.06 0.00 -0.02 0.00 0.00 35.03 33.87 3kwh n LYS 50 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3kwh n ASN 51 N 0.63 -2.55 0.05 4.39 4.05 -0.74 -4.87 115.26 116.22 3kwh n ASN 51 Ca 0.17 -0.76 -0.12 0.00 0.45 0.00 0.00 54.58 54.32 3kwh n ASN 51 Cb 0.40 -4.50 -0.01 0.00 1.23 0.00 0.00 39.78 36.90 3kwh n ASN 51 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 3kwh h THR 52 N -1.77 1.38 -3.45 -0.44 2.02 -1.73 -3.38 112.91 105.54 3kwh h THR 52 Ca -0.61 -2.27 -0.74 0.00 0.77 0.00 0.00 66.41 63.56 3kwh h THR 52 Cb 1.35 2.24 -0.30 0.00 -1.74 0.00 0.00 68.15 69.70 3kwh h THR 52 CO 0.52 0.68 -0.27 -0.31 0.37 0.00 0.00 175.52 176.51 3kwh s TYR 53 N -3.46 3.49 -0.04 3.16 2.02 -1.26 -5.08 117.35 116.17 3kwh s TYR 53 Ca -0.06 -2.06 -0.16 0.00 -0.37 0.00 0.00 57.07 54.42 3kwh s TYR 53 Cb 0.10 -3.52 -0.05 0.00 -0.40 0.00 0.00 41.96 38.08 3kwh s TYR 53 CO 0.86 -0.96 0.44 1.03 -1.57 0.00 0.00 175.55 175.34 3kwh s ARG 54 N 0.79 4.09 0.05 -0.62 0.52 -1.26 -5.05 118.95 117.47 3kwh s ARG 54 Ca 0.11 0.43 -0.30 0.00 -0.52 0.00 0.00 55.73 55.44 3kwh s ARG 54 Cb -0.22 -3.30 -0.05 0.00 0.52 0.00 0.00 34.95 31.90 3kwh s ARG 54 CO -0.03 0.50 1.18 -0.51 0.02 0.00 0.00 175.30 176.46 3kwh s LEU 55 N -0.47 4.36 0.27 2.53 1.43 -1.26 -4.75 118.68 120.80 3kwh s LEU 55 Ca 0.24 1.98 -0.09 0.00 -1.03 0.00 0.00 54.13 55.23 3kwh s LEU 55 Cb -0.16 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.41 3kwh s LEU 55 CO 0.12 -0.46 0.59 -0.54 0.23 0.00 0.00 176.35 176.29 3kwh s LYS 56 N 1.13 3.77 0.46 1.70 1.02 -1.26 -5.09 119.74 121.47 3kwh s LYS 56 Ca 0.58 0.26 0.03 0.00 0.02 0.00 0.00 55.97 56.86 3kwh s LYS 56 Cb -0.29 -2.60 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 3kwh s LYS 56 CO 0.29 0.24 0.02 -0.51 -0.92 0.00 0.00 175.35 174.46 3kwh s LEU 57 N -3.13 2.45 -0.43 3.17 1.43 -1.26 -4.92 118.68 115.99 3kwh s LEU 57 Ca 0.47 -1.55 0.07 0.00 -1.03 0.00 0.00 54.13 52.10 3kwh s LEU 57 Cb -0.11 -0.71 0.25 0.00 0.03 0.00 0.00 46.19 45.65 3kwh s LEU 57 CO 0.24 -0.72 0.69 0.00 0.23 0.00 0.00 176.35 176.80 3kwh n TYR 58 N -1.11 -1.60 -2.38 0.29 4.19 -1.26 -4.95 117.16 110.34 3kwh n TYR 58 Ca -0.13 -2.81 -0.43 0.00 3.31 0.00 0.00 57.90 57.84 3kwh n TYR 58 Cb 0.67 0.46 -0.02 0.00 0.49 0.00 0.00 39.34 40.94 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 -1.44 6.59 0.32 2.98 0.01 -1.26 -5.03 113.70 115.88 3kwh s SER 59 Ca 0.34 1.18 0.10 0.00 1.31 0.00 0.00 55.95 58.87 3kwh s SER 59 Cb 0.20 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.84 3kwh s SER 59 CO -0.16 -1.15 -0.03 -1.48 0.41 0.00 0.00 173.24 170.82 3kwh s LEU 60 N 4.61 2.93 -0.22 2.44 -0.00 -1.26 -4.67 118.68 122.51 3kwh s LEU 60 Ca 0.58 -0.96 0.01 0.00 -0.00 0.00 0.00 54.13 53.76 3kwh s LEU 60 Cb -0.17 -1.34 0.05 0.00 -0.00 0.00 0.00 46.19 44.73 3kwh s LEU 60 CO 0.25 -0.15 -0.08 -0.13 -0.00 0.00 0.00 176.35 176.23 3kwh s ARG 61 N -3.67 1.89 0.32 1.48 0.52 -0.60 -4.94 118.95 113.95 3kwh s ARG 61 Ca 0.33 -0.99 -0.29 0.00 -0.52 0.00 0.00 55.73 54.26 3kwh s ARG 61 Cb -0.02 -2.57 -0.11 0.00 0.52 0.00 0.00 34.95 32.77 3kwh s ARG 61 CO 0.19 -0.52 1.58 -1.58 0.02 0.00 0.00 175.30 174.98 3kwh s TRP 62 N 1.35 2.68 0.00 -0.53 0.52 -1.26 0.25 118.94 121.94 3kwh s TRP 62 Ca -0.04 0.86 0.00 0.00 0.02 0.00 0.00 56.10 56.94 3kwh s TRP 62 Cb -0.18 -4.08 0.00 0.00 -1.15 0.00 0.00 33.47 28.06 3kwh s TRP 62 CO -0.07 -3.52 0.29 1.51 0.02 0.00 0.00 176.95 175.18 3kwh n ILE 63 N 1.68 0.00 -2.23 2.03 3.06 -0.52 -4.88 119.36 118.50 3kwh n ILE 63 Ca 0.06 -0.38 0.00 0.00 -2.50 0.00 0.00 62.75 59.93 3kwh n ILE 63 Cb 0.38 1.18 0.00 0.00 0.54 0.00 0.00 39.64 41.73 3kwh n ILE 63 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 3kwh n SER 64 N -0.19 0.00 -0.15 9.51 3.41 -1.21 -4.99 113.62 120.00 3kwh n SER 64 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 3kwh n SER 64 Cb 0.04 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.00 0.83 0.00 4.04 5.75 -1.26 -1.69 116.55 124.22 3kwh n ASP 65 Ca 0.00 -0.66 0.00 0.00 -0.01 0.00 0.00 54.79 54.12 3kwh n ASP 65 Cb 0.00 0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 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 -0.97 0.00 -4.07 2.11 1.44 -1.26 -4.41 115.22 108.06 3kwh n HIS 66 Ca 0.10 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.69 3kwh n HIS 66 Cb 0.34 0.01 -0.11 0.00 0.12 0.00 0.00 29.99 30.35 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 0.56 0.12 -1.40 2.02 -1.26 -0.64 118.70 118.11 3kwh s GLU 67 Ca 0.00 -0.88 0.01 0.00 0.02 0.00 0.00 54.97 54.12 3kwh s GLU 67 Cb 0.00 -0.18 -0.04 0.00 0.10 0.00 0.00 34.13 34.01 3kwh s GLU 67 CO 0.00 0.01 -0.03 1.52 0.02 0.00 0.00 175.26 176.78 3kwh s TYR 68 N -2.03 0.96 -0.06 1.61 -0.85 -1.06 -1.44 117.35 114.49 3kwh s TYR 68 Ca -0.05 -0.99 -0.08 0.00 -0.52 0.00 0.00 57.07 55.42 3kwh s TYR 68 Cb -0.06 -0.56 -0.05 0.00 0.38 0.00 0.00 41.96 41.68 3kwh s TYR 68 CO -0.02 -0.23 0.23 -0.51 -1.52 0.00 0.00 175.55 173.51 3kwh s LEU 69 N -3.08 4.40 -0.08 -3.49 1.43 0.14 -1.55 118.68 116.46 3kwh s LEU 69 Ca 0.17 0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 53.79 3kwh s LEU 69 Cb 0.06 -2.36 0.02 0.00 0.03 0.00 0.00 46.19 43.95 3kwh s LEU 69 CO -0.02 0.34 0.21 -0.47 0.23 0.00 0.00 176.35 176.64 3kwh s TYR 70 N -1.13 -0.24 -0.21 0.29 5.04 -0.34 -1.56 117.35 119.21 3kwh s TYR 70 Ca 0.21 0.58 -0.09 0.00 -2.44 0.00 0.00 57.07 55.32 3kwh s TYR 70 Cb -0.13 0.06 -0.05 0.00 0.35 0.00 0.00 41.96 42.20 3kwh s TYR 70 CO 0.10 -0.13 0.12 -1.59 -1.34 0.00 0.00 175.55 172.71 3kwh s LYS 71 N 0.31 4.04 -0.08 4.97 -2.85 -1.26 0.33 119.74 125.21 3kwh s LYS 71 Ca -0.02 -0.29 -0.00 0.00 -1.00 0.00 0.00 55.97 54.66 3kwh s LYS 71 Cb -0.03 -3.39 0.02 0.00 -2.06 0.00 0.00 37.83 32.37 3kwh s LYS 71 CO -0.01 0.17 -0.05 -1.14 0.10 0.00 0.00 175.35 174.42 3kwh s GLN 72 N 0.71 1.08 -1.59 1.78 0.74 -0.44 -4.71 119.66 117.23 3kwh s GLN 72 Ca 0.06 -0.11 -0.14 0.00 0.05 0.00 0.00 55.36 55.22 3kwh s GLN 72 Cb -0.13 -1.21 0.11 0.00 1.10 0.00 0.00 33.01 32.88 3kwh s GLN 72 CO 0.01 -0.22 0.86 0.39 -0.55 0.00 0.00 175.29 175.78 3kwh n GLU 73 N 4.74 -4.41 -3.30 1.67 1.02 -1.26 -0.58 120.64 118.52 3kwh n GLU 73 Ca -0.14 0.50 -0.18 0.00 -0.02 0.00 0.00 57.16 57.32 3kwh n GLU 73 Cb 0.50 -5.26 -0.03 0.00 -0.02 0.00 0.00 31.44 26.63 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 -2.78 -1.31 -4.83 1.62 4.13 -1.26 -4.89 115.26 105.94 3kwh n ASN 74 Ca 0.02 -0.25 -0.38 0.00 1.68 0.00 0.00 54.58 55.64 3kwh n ASN 74 Cb 0.53 -1.21 -0.06 0.00 -1.54 0.00 0.00 39.78 37.49 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 -2.47 6.76 -0.31 6.41 0.01 0.25 -4.09 114.94 121.51 3kwh s ASN 75 Ca 0.35 0.90 -0.19 0.00 -0.71 0.00 0.00 52.86 53.21 3kwh s ASN 75 Cb -0.21 -2.23 -0.01 0.00 0.41 0.00 0.00 41.25 39.21 3kwh s ASN 75 CO 0.43 0.32 0.58 -0.63 -1.51 0.00 0.00 177.10 176.29 3kwh s ILE 76 N -0.99 4.98 0.25 0.60 1.01 -0.87 -1.32 121.20 124.86 3kwh s ILE 76 Ca 0.23 0.73 0.09 0.00 0.00 0.00 0.00 60.65 61.69 3kwh s ILE 76 Cb -0.16 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 3kwh s ILE 76 CO 0.12 -0.12 0.03 -0.76 0.00 0.00 0.00 174.94 174.21 3kwh s LEU 77 N 2.50 3.32 -0.07 2.97 1.43 0.15 -0.17 118.68 128.81 3kwh s LEU 77 Ca 0.23 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 3kwh s LEU 77 Cb -0.15 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 3kwh s LEU 77 CO 0.12 0.01 -0.12 -0.69 0.23 0.00 0.00 176.35 175.90 3kwh s VAL 78 N -2.18 3.28 0.05 -1.59 1.01 -0.79 -1.20 120.40 118.98 3kwh s VAL 78 Ca 0.31 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.71 3kwh s VAL 78 Cb -0.07 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 3kwh s VAL 78 CO 0.20 0.59 -0.09 -0.36 0.00 0.00 0.00 175.10 175.44 3kwh s PHE 79 N -0.63 2.79 -0.30 5.22 0.40 -0.59 -1.64 117.98 123.23 3kwh s PHE 79 Ca 0.09 -0.11 -0.16 0.00 -0.60 0.00 0.00 56.93 56.15 3kwh s PHE 79 Cb -0.11 -1.52 -0.03 0.00 0.51 0.00 0.00 43.02 41.87 3kwh s PHE 79 CO 0.01 0.38 0.40 1.21 0.70 0.00 0.00 175.22 177.92 3kwh s ASN 80 N -1.75 6.26 0.10 1.36 3.84 -0.58 -2.55 114.94 121.61 3kwh s ASN 80 Ca 0.19 0.15 -0.20 0.00 0.21 0.00 0.00 52.86 53.21 3kwh s ASN 80 Cb -0.11 -2.22 -0.08 0.00 -0.55 0.00 0.00 41.25 38.29 3kwh s ASN 80 CO 0.10 -0.27 1.64 0.00 -2.79 0.00 0.00 177.10 175.79 3kwh h ALA 81 N 8.27 0.28 -0.87 1.71 0.00 -1.22 0.44 119.26 127.87 3kwh h ALA 81 Ca -0.30 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.59 3kwh h ALA 81 Cb 1.15 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 3kwh h ALA 81 CO 0.68 -0.14 0.52 1.49 0.00 0.00 0.00 179.25 181.80 3kwh h GLU 82 N 0.20 0.85 -0.00 0.00 4.57 -1.95 -3.27 114.58 114.98 3kwh h GLU 82 Ca 0.07 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3kwh h GLU 82 Cb 0.16 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 3kwh h GLU 82 CO -0.01 0.56 -0.19 0.66 -1.18 0.00 0.00 179.01 178.86 3kwh n TYR 83 N -4.69 0.00 0.00 0.92 4.01 -1.18 -5.02 117.16 111.21 3kwh n TYR 83 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 3kwh n TYR 83 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 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 1.00 2.80 3.76 2.72 0.00 0.15 -5.00 105.19 110.62 3kwh n GLY 84 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.54 6.01 0.13 1.61 4.22 -1.26 -4.63 114.94 117.49 3kwh s ASN 85 Ca 0.00 2.59 0.07 0.00 -2.14 0.00 0.00 52.86 53.37 3kwh s ASN 85 Cb 0.00 -2.63 -0.04 0.00 1.28 0.00 0.00 41.25 39.86 3kwh s ASN 85 CO 0.00 -1.05 -0.15 -0.94 -2.04 0.00 0.00 177.10 172.92 3kwh s SER 86 N -0.96 2.18 0.32 3.54 1.04 -1.26 -1.52 113.70 117.03 3kwh s SER 86 Ca 0.62 -0.82 0.03 0.00 0.48 0.00 0.00 55.95 56.26 3kwh s SER 86 Cb -0.36 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.63 3kwh s SER 86 CO 0.45 -0.12 0.12 -0.44 0.98 0.00 0.00 173.24 174.23 3kwh s SER 87 N -2.51 1.82 -0.45 7.02 0.01 -0.65 -4.97 113.70 113.97 3kwh s SER 87 Ca 0.11 -1.51 -0.13 0.00 1.31 0.00 0.00 55.95 55.73 3kwh s SER 87 Cb -0.05 0.28 0.07 0.00 0.21 0.00 0.00 66.02 66.53 3kwh s SER 87 CO 0.04 -0.81 0.34 0.54 0.41 0.00 0.00 173.24 173.76 3kwh s VAL 88 N -3.52 4.88 0.08 3.43 0.11 -1.26 -1.89 120.40 122.23 3kwh s VAL 88 Ca 0.34 -1.16 -0.22 0.00 -2.93 0.00 0.00 61.98 58.02 3kwh s VAL 88 Cb 0.06 -3.93 -0.12 0.00 -1.53 0.00 0.00 36.38 30.86 3kwh s VAL 88 CO 0.16 -0.54 1.60 0.15 -3.33 0.00 0.00 175.10 173.14 3kwh h PHE 89 N 8.63 0.19 -3.14 1.54 3.57 -0.86 -3.43 116.94 123.43 3kwh h PHE 89 Ca -0.26 -0.02 -0.31 0.00 3.53 0.00 0.00 57.97 60.90 3kwh h PHE 89 Cb 1.10 -0.06 -0.37 0.00 2.79 0.00 0.00 35.95 39.42 3kwh h PHE 89 CO 0.62 0.29 -0.66 -1.17 -2.23 0.00 0.00 178.31 175.16 3kwh s LEU 90 N -9.82 -0.02 0.21 0.59 0.20 -0.86 -5.01 118.68 103.97 3kwh s LEU 90 Ca -0.14 0.26 -0.30 0.00 0.69 0.00 0.00 54.13 54.64 3kwh s LEU 90 Cb 0.06 0.17 -0.10 0.00 -0.43 0.00 0.00 46.19 45.89 3kwh s LEU 90 CO 0.69 -0.25 1.43 -1.61 -0.29 0.00 0.00 176.35 176.33 3kwh s GLU 91 N 2.26 4.29 0.31 1.98 8.01 -1.26 -2.04 118.70 132.25 3kwh s GLU 91 Ca 0.04 2.25 0.07 0.00 0.01 0.00 0.00 54.97 57.34 3kwh s GLU 91 Cb -0.12 -3.15 0.86 0.00 -4.31 0.00 0.00 34.13 27.42 3kwh s GLU 91 CO -0.05 -0.42 1.67 -2.95 0.01 0.00 0.00 175.26 173.51 3kwh h ASN 92 N 5.55 0.30 -0.56 -0.19 -1.07 -1.90 -0.69 115.58 117.02 3kwh h ASN 92 Ca -0.45 0.18 -0.00 0.00 0.07 0.00 0.00 56.30 56.10 3kwh h ASN 92 Cb 1.21 0.18 -0.03 0.00 -2.07 0.00 0.00 38.32 37.61 3kwh h ASN 92 CO 0.81 -0.10 0.34 0.28 0.07 0.00 0.00 177.43 178.83 3kwh h SER 93 N 0.32 0.66 -1.86 6.14 0.02 -1.90 -3.44 113.55 113.49 3kwh h SER 93 Ca 0.63 -0.05 -0.63 0.00 -0.84 0.00 0.00 61.79 60.89 3kwh h SER 93 Cb 1.31 -0.17 0.11 0.00 0.14 0.00 0.00 62.40 63.79 3kwh h SER 93 CO -0.60 0.51 -0.12 0.41 -1.14 0.00 0.00 176.83 175.89 3kwh n THR 94 N -4.66 1.91 -2.74 -2.27 -1.04 -0.27 -2.60 114.28 102.61 3kwh n THR 94 Ca 0.03 -0.48 -0.08 0.00 -2.04 0.00 0.00 64.05 61.49 3kwh n THR 94 Cb 0.05 -0.59 0.04 0.00 -1.82 0.00 0.00 70.33 68.00 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 0.22 -1.94 -0.02 -1.42 3.72 -1.26 -4.95 117.46 111.81 3kwh n PHE 95 Ca 0.13 0.70 -0.04 0.00 -0.05 0.00 0.00 57.45 58.19 3kwh n PHE 95 Cb 0.29 -3.62 -0.02 0.00 -0.94 0.00 0.00 39.48 35.19 3kwh n PHE 95 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3kwh n ASP 96 N -2.40 2.93 -0.86 4.37 8.00 -1.07 -4.64 116.55 122.88 3kwh n ASP 96 Ca -0.04 -0.01 0.11 0.00 0.71 0.00 0.00 54.79 55.56 3kwh n ASP 96 Cb 0.56 -0.09 0.28 0.00 -0.02 0.00 0.00 41.12 41.86 3kwh n ASP 96 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3kwh n GLU 97 N -2.76 2.11 0.29 -1.24 2.13 -1.26 -4.40 120.64 115.51 3kwh n GLU 97 Ca -0.08 -1.69 0.13 0.00 0.66 0.00 0.00 57.16 56.18 3kwh n GLU 97 Cb 0.58 -1.44 0.83 0.00 0.27 0.00 0.00 31.44 31.68 3kwh n GLU 97 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 3kwh h PHE 98 N 3.22 0.00 0.00 4.31 3.57 -1.96 -3.46 116.94 122.62 3kwh h PHE 98 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3kwh h PHE 98 Cb 0.71 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.45 3kwh h PHE 98 CO 0.20 0.01 0.00 0.41 -2.23 0.00 0.00 178.31 176.70 3kwh n GLY 99 N -1.36 0.72 3.25 2.40 0.00 -1.26 -5.03 105.19 103.90 3kwh n GLY 99 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.61 -0.15 -0.10 1.61 3.76 -1.26 -5.12 115.29 111.41 3kwh s HIS 100 Ca 0.00 0.16 -0.30 0.00 -0.15 0.00 0.00 55.06 54.77 3kwh s HIS 100 Cb 0.00 0.10 -0.03 0.00 1.11 0.00 0.00 32.58 33.75 3kwh s HIS 100 CO 0.00 -0.44 1.37 0.45 -0.85 0.00 0.00 174.74 175.27 3kwh s SER 101 N -1.61 6.88 -0.26 1.40 0.15 -1.26 -4.98 113.70 114.01 3kwh s SER 101 Ca -0.10 1.91 -0.22 0.00 0.70 0.00 0.00 55.95 58.23 3kwh s SER 101 Cb -0.03 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.72 3kwh s SER 101 CO 0.01 -0.77 0.73 -0.63 1.20 0.00 0.00 173.24 173.78 3kwh s ILE 102 N 3.25 4.90 -0.15 6.45 1.01 -1.26 -4.43 121.20 130.98 3kwh s ILE 102 Ca 0.61 1.30 0.16 0.00 0.00 0.00 0.00 60.65 62.72 3kwh s ILE 102 Cb -0.26 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.14 3kwh s ILE 102 CO 0.21 -0.05 1.14 -1.13 0.00 0.00 0.00 174.94 175.11 3kwh h ASN 103 N 7.84 0.00 -5.56 3.58 -0.73 -0.90 -3.49 115.58 116.33 3kwh h ASN 103 Ca -0.25 0.00 0.25 0.00 1.87 0.00 0.00 56.30 58.17 3kwh h ASN 103 Cb 1.11 0.00 -0.09 0.00 0.27 0.00 0.00 38.32 39.61 3kwh h ASN 103 CO 0.83 0.50 0.67 -0.62 -0.37 0.00 0.00 177.43 178.44 3kwh s ASP 104 N -6.08 -0.08 0.15 1.15 -1.08 -1.16 -5.01 116.67 104.56 3kwh s ASP 104 Ca 0.01 -0.33 -0.11 0.00 -0.52 0.00 0.00 52.55 51.59 3kwh s ASP 104 Cb 0.08 0.34 0.00 0.00 -1.46 0.00 0.00 42.92 41.88 3kwh s ASP 104 CO 0.78 -0.64 0.31 -0.72 0.52 0.00 0.00 175.17 175.42 3kwh s TYR 105 N -2.66 0.20 -0.20 -5.34 -0.85 -1.26 -1.31 117.35 105.94 3kwh s TYR 105 Ca 0.16 -0.57 -0.10 0.00 -0.52 0.00 0.00 57.07 56.03 3kwh s TYR 105 Cb 0.01 0.05 0.07 0.00 0.38 0.00 0.00 41.96 42.47 3kwh s TYR 105 CO 0.00 -0.71 0.48 0.45 -1.52 0.00 0.00 175.55 174.25 3kwh s SER 106 N -2.91 -0.58 -0.14 -0.18 0.15 -0.53 -4.96 113.70 104.53 3kwh s SER 106 Ca 0.12 1.06 -0.07 0.00 0.70 0.00 0.00 55.95 57.76 3kwh s SER 106 Cb 0.03 1.06 -0.04 0.00 -1.71 0.00 0.00 66.02 65.36 3kwh s SER 106 CO -0.04 -0.21 0.11 -0.63 1.20 0.00 0.00 173.24 173.67 3kwh s ILE 107 N 1.73 5.26 0.55 6.45 1.01 -1.26 0.13 121.20 135.07 3kwh s ILE 107 Ca -0.08 0.12 -0.21 0.00 0.00 0.00 0.00 60.65 60.48 3kwh s ILE 107 Cb -0.09 -3.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.01 3kwh s ILE 107 CO -0.14 0.55 1.18 -1.20 0.00 0.00 0.00 174.94 175.32 3kwh n SER 108 N 2.60 1.82 0.23 3.58 7.64 -0.26 -4.93 113.62 124.30 3kwh n SER 108 Ca -0.18 0.92 -0.15 0.00 1.01 0.00 0.00 58.87 60.47 3kwh n SER 108 Cb 0.54 -1.48 -0.08 0.00 -1.01 0.00 0.00 64.21 62.17 3kwh n SER 108 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3kwh h PRO 109 N 1.08 -0.55 -5.23 1.43 0.11 -1.82 -3.30 132.00 123.72 3kwh h PRO 109 Ca -0.49 0.04 -0.66 0.00 0.11 0.00 0.00 66.00 65.00 3kwh h PRO 109 Cb 1.33 0.13 -0.16 0.00 0.11 0.00 0.00 31.00 32.41 3kwh h PRO 109 CO 0.55 -0.26 0.60 -0.51 -0.21 0.00 0.00 178.00 178.16 3kwh s ASP 110 N -4.84 6.32 0.00 -2.05 1.11 -1.06 -4.87 116.67 111.28 3kwh s ASP 110 Ca -0.15 -1.38 0.00 0.00 0.18 0.00 0.00 52.55 51.20 3kwh s ASP 110 Cb 0.03 -2.40 0.00 0.00 1.07 0.00 0.00 42.92 41.62 3kwh s ASP 110 CO 0.56 -1.29 0.00 0.61 1.18 0.00 0.00 175.17 176.23 3kwh n GLY 111 N 5.40 0.02 0.06 0.21 0.00 -1.24 -4.55 105.19 105.09 3kwh n GLY 111 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 3kwh n GLY 111 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kwh n GLN 112 N 0.76 0.22 -4.05 1.61 6.02 -1.26 -4.91 117.38 115.77 3kwh n GLN 112 Ca 0.00 -0.12 -0.10 0.00 -0.01 0.00 0.00 57.00 56.78 3kwh n GLN 112 Cb 0.00 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 29.68 3kwh n GLN 112 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3kwh s PHE 113 N -2.86 0.61 -0.05 1.08 0.08 -1.26 -2.49 117.98 113.09 3kwh s PHE 113 Ca 0.15 -0.98 -0.02 0.00 0.12 0.00 0.00 56.93 56.20 3kwh s PHE 113 Cb 0.18 -0.26 0.03 0.00 -0.57 0.00 0.00 43.02 42.40 3kwh s PHE 113 CO 0.63 -0.62 0.11 -1.50 -0.10 0.00 0.00 175.22 173.74 3kwh s ILE 114 N -4.00 -0.04 -0.21 0.64 2.07 -1.05 -1.10 121.20 117.51 3kwh s ILE 114 Ca 0.20 0.16 -0.23 0.00 -1.41 0.00 0.00 60.65 59.37 3kwh s ILE 114 Cb 0.05 -0.18 -0.02 0.00 0.13 0.00 0.00 42.46 42.44 3kwh s ILE 114 CO 0.00 0.07 0.72 -0.76 -1.91 0.00 0.00 174.94 173.06 3kwh s LEU 115 N 0.96 4.12 -0.37 8.50 1.43 0.35 -2.18 118.68 131.49 3kwh s LEU 115 Ca -0.08 0.94 -0.12 0.00 -1.03 0.00 0.00 54.13 53.84 3kwh s LEU 115 Cb -0.10 -3.03 0.01 0.00 0.03 0.00 0.00 46.19 43.09 3kwh s LEU 115 CO -0.04 -0.37 0.23 -0.76 0.23 0.00 0.00 176.35 175.64 3kwh s LEU 116 N 2.27 4.67 -0.24 1.79 1.43 -0.81 -1.45 118.68 126.34 3kwh s LEU 116 Ca 0.32 -0.75 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 3kwh s LEU 116 Cb -0.16 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 3kwh s LEU 116 CO 0.10 -0.34 0.41 -0.70 0.23 0.00 0.00 176.35 176.05 3kwh s GLU 117 N 1.64 4.09 0.36 1.70 2.12 -0.42 -1.96 118.70 126.22 3kwh s GLU 117 Ca 0.04 0.16 0.07 0.00 0.36 0.00 0.00 54.97 55.60 3kwh s GLU 117 Cb -0.18 -3.61 -0.03 0.00 0.26 0.00 0.00 34.13 30.57 3kwh s GLU 117 CO 0.08 -0.19 0.25 1.52 -0.54 0.00 0.00 175.26 176.38 3kwh s TYR 118 N 1.80 1.79 -1.54 5.30 1.13 -0.41 -0.13 117.35 125.29 3kwh s TYR 118 Ca 0.18 -1.60 -0.16 0.00 -1.41 0.00 0.00 57.07 54.08 3kwh s TYR 118 Cb -0.15 -0.82 0.13 0.00 -1.10 0.00 0.00 41.96 40.01 3kwh s TYR 118 CO 0.09 -0.76 0.71 0.09 -2.51 0.00 0.00 175.55 173.17 3kwh n ASN 119 N -1.57 -3.50 -4.68 -0.18 3.02 -1.26 -1.10 115.26 105.99 3kwh n ASN 119 Ca 0.04 -0.79 -0.42 0.00 -0.03 0.00 0.00 54.58 53.38 3kwh n ASN 119 Cb 0.63 -2.87 -0.03 0.00 -0.61 0.00 0.00 39.78 36.90 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 -3.15 2.03 -0.10 3.10 6.14 -1.26 -4.37 117.35 119.73 3kwh s TYR 120 Ca 0.64 -0.04 0.02 0.00 0.64 0.00 0.00 57.07 58.33 3kwh s TYR 120 Cb -0.34 -4.14 0.02 0.00 0.42 0.00 0.00 41.96 37.91 3kwh s TYR 120 CO 0.78 -4.78 -0.14 0.08 0.64 0.00 0.00 175.55 172.12 3kwh s VAL 121 N 3.08 1.44 0.12 3.14 1.01 -0.41 -5.01 120.40 123.76 3kwh s VAL 121 Ca 0.81 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 62.01 3kwh s VAL 121 Cb -0.44 -1.32 -0.07 0.00 0.00 0.00 0.00 36.38 34.55 3kwh s VAL 121 CO 0.36 0.43 0.57 -0.75 0.00 0.00 0.00 175.10 175.71 3kwh s LYS 122 N 1.00 4.09 0.00 2.72 2.20 -1.26 0.01 119.74 128.50 3kwh s LYS 122 Ca -0.07 0.63 0.00 0.00 -0.36 0.00 0.00 55.97 56.17 3kwh s LYS 122 Cb -0.15 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 3kwh s LYS 122 CO -0.01 0.55 0.00 0.94 -0.36 0.00 0.00 175.35 176.46 3kwh n GLN 123 N 1.22 0.00 0.00 4.03 7.27 0.20 -4.92 117.38 125.17 3kwh n GLN 123 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.00 3kwh n GLN 123 Cb 0.51 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.16 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 0.11 3.69 5.03 -1.18 -4.94 117.44 120.16 3kwh n TRP 124 Ca 0.00 0.00 -0.03 0.00 3.03 0.00 0.00 57.50 60.50 3kwh n TRP 124 Cb 0.00 0.00 0.16 0.00 -1.03 0.00 0.00 31.31 30.44 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 0.12 0.00 -0.99 2.43 -1.99 -3.37 114.38 110.58 3kwh h ARG 125 Ca 0.00 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3kwh h ARG 125 Cb 0.00 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3kwh h ARG 125 CO 0.00 0.68 -0.88 0.72 -1.51 0.00 0.00 179.97 178.98 3kwh n HIS 126 N -3.86 0.00 -2.47 2.20 8.25 -1.26 -5.06 115.22 113.02 3kwh n HIS 126 Ca -0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.07 3kwh n HIS 126 Cb 0.60 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.68 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 -2.96 6.73 0.16 0.41 1.04 -1.26 -4.64 113.70 113.18 3kwh s SER 127 Ca 0.00 2.13 -0.24 0.00 0.48 0.00 0.00 55.95 58.32 3kwh s SER 127 Cb 0.00 -2.60 0.06 0.00 0.10 0.00 0.00 66.02 63.58 3kwh s SER 127 CO 0.00 -0.52 0.76 -0.72 0.98 0.00 0.00 173.24 173.74 3kwh s TYR 128 N -1.55 -0.32 0.19 5.02 -0.85 -1.26 -0.63 117.35 117.95 3kwh s TYR 128 Ca 0.57 0.03 0.10 0.00 -0.52 0.00 0.00 57.07 57.25 3kwh s TYR 128 Cb -0.25 0.62 -0.04 0.00 0.38 0.00 0.00 41.96 42.66 3kwh s TYR 128 CO 0.31 -0.91 -0.21 -0.08 -1.52 0.00 0.00 175.55 173.14 3kwh s THR 129 N -3.60 2.18 -0.00 -3.49 -1.32 0.10 -4.65 115.64 104.86 3kwh s THR 129 Ca 0.07 -2.04 -0.29 0.00 -1.21 0.00 0.00 61.69 58.22 3kwh s THR 129 Cb -0.03 -2.05 0.10 0.00 -1.51 0.00 0.00 72.50 69.02 3kwh s THR 129 CO -0.03 -0.22 0.99 0.00 -2.21 0.00 0.00 174.62 173.15 3kwh s ALA 130 N -1.91 -1.86 0.27 11.08 0.00 -0.69 -1.29 121.76 127.35 3kwh s ALA 130 Ca 0.20 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.04 3kwh s ALA 130 Cb -0.07 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 3kwh s ALA 130 CO 0.09 -0.79 0.46 -1.12 0.00 0.00 0.00 175.76 174.40 3kwh s SER 131 N -2.58 6.35 -0.02 0.00 0.01 -0.26 -1.32 113.70 115.88 3kwh s SER 131 Ca 0.08 0.39 -0.01 0.00 1.31 0.00 0.00 55.95 57.72 3kwh s SER 131 Cb -0.01 -2.00 0.01 0.00 0.21 0.00 0.00 66.02 64.23 3kwh s SER 131 CO -0.05 -0.15 0.05 -0.31 0.41 0.00 0.00 173.24 173.18 3kwh s TYR 132 N -2.06 -0.04 0.38 2.43 2.02 -1.26 -1.28 117.35 117.53 3kwh s TYR 132 Ca 0.39 0.14 0.08 0.00 -0.37 0.00 0.00 57.07 57.30 3kwh s TYR 132 Cb -0.10 -0.02 -0.06 0.00 -0.40 0.00 0.00 41.96 41.38 3kwh s TYR 132 CO 0.32 -0.04 0.08 -0.51 -1.57 0.00 0.00 175.55 173.83 3kwh s ASP 133 N 0.20 4.23 -0.05 2.29 1.01 -0.83 -4.55 116.67 118.98 3kwh s ASP 133 Ca -0.01 -1.09 0.03 0.00 0.71 0.00 0.00 52.55 52.19 3kwh s ASP 133 Cb -0.02 -0.49 0.01 0.00 1.01 0.00 0.00 42.92 43.42 3kwh s ASP 133 CO -0.01 -0.40 -0.13 -0.63 0.21 0.00 0.00 175.17 174.22 3kwh s ILE 134 N -2.58 1.12 -0.18 0.77 1.01 -1.26 -1.92 121.20 118.14 3kwh s ILE 134 Ca 0.37 -0.50 -0.03 0.00 0.00 0.00 0.00 60.65 60.49 3kwh s ILE 134 Cb 0.03 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 3kwh s ILE 134 CO 0.20 0.34 -0.06 -0.47 0.00 0.00 0.00 174.94 174.96 3kwh s TYR 135 N 0.41 2.95 -0.11 3.97 6.14 -0.93 -1.29 117.35 128.49 3kwh s TYR 135 Ca -0.09 -0.69 -0.28 0.00 0.64 0.00 0.00 57.07 56.65 3kwh s TYR 135 Cb -0.13 -2.01 -0.02 0.00 0.42 0.00 0.00 41.96 40.22 3kwh s TYR 135 CO 0.03 -0.33 0.94 0.34 0.64 0.00 0.00 175.55 177.16 3kwh s ASP 136 N 0.94 7.16 -0.06 4.32 -1.08 0.12 -2.52 116.67 125.54 3kwh s ASP 136 Ca -0.01 1.42 -0.22 0.00 -0.52 0.00 0.00 52.55 53.23 3kwh s ASP 136 Cb -0.15 -2.52 -0.30 0.00 -1.46 0.00 0.00 42.92 38.49 3kwh s ASP 136 CO 0.01 -0.40 0.84 -0.07 0.52 0.00 0.00 175.17 176.07 3kwh h LEU 137 N 7.94 0.43 0.00 -1.34 3.38 -1.77 -3.23 115.31 120.71 3kwh h LEU 137 Ca -0.32 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 56.71 3kwh h LEU 137 Cb 1.15 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3kwh h LEU 137 CO 0.84 1.40 0.00 0.59 0.09 0.00 0.00 178.44 181.36 3kwh n ASN 138 N -4.13 0.00 -3.78 -0.43 3.02 -1.26 -4.33 115.26 104.34 3kwh n ASN 138 Ca -0.15 -0.22 -0.12 0.00 -0.03 0.00 0.00 54.58 54.06 3kwh n ASN 138 Cb 0.81 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.90 3kwh n ASN 138 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3kwh s LYS 139 N -2.00 0.74 -0.17 3.52 1.02 -1.22 -5.04 119.74 116.59 3kwh s LYS 139 Ca 0.01 -0.47 -0.04 0.00 0.02 0.00 0.00 55.97 55.49 3kwh s LYS 139 Cb 0.00 0.32 -0.07 0.00 -0.52 0.00 0.00 37.83 37.56 3kwh s LYS 139 CO 0.01 -0.22 2.92 0.54 -0.92 0.00 0.00 175.35 177.68 3kwh n ARG 140 N 0.77 1.93 -4.29 1.68 1.74 -1.26 -4.59 116.66 112.65 3kwh n ARG 140 Ca -0.19 -1.29 -0.19 0.00 -0.77 0.00 0.00 57.85 55.41 3kwh n ARG 140 Cb 0.58 -1.83 -0.15 0.00 -1.02 0.00 0.00 32.46 30.04 3kwh n ARG 140 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3kwh s GLN 141 N -0.28 0.76 0.18 5.56 -0.21 -1.23 -5.04 119.66 119.40 3kwh s GLN 141 Ca 0.49 -0.24 -0.27 0.00 0.02 0.00 0.00 55.36 55.36 3kwh s GLN 141 Cb 0.28 -0.73 -0.08 0.00 1.00 0.00 0.00 33.01 33.48 3kwh s GLN 141 CO -0.06 0.09 0.85 -0.51 -2.12 0.00 0.00 175.29 173.54 3kwh s LEU 142 N 0.17 4.60 0.30 2.90 1.43 -1.26 0.11 118.68 126.92 3kwh s LEU 142 Ca -0.02 1.76 -0.28 0.00 -1.03 0.00 0.00 54.13 54.55 3kwh s LEU 142 Cb -0.07 -3.43 -0.09 0.00 0.03 0.00 0.00 46.19 42.62 3kwh s LEU 142 CO 0.00 0.15 1.03 0.27 0.23 0.00 0.00 176.35 178.04 3kwh s ILE 143 N -0.98 3.76 -0.15 -0.59 -4.36 -0.41 -4.90 121.20 113.56 3kwh s ILE 143 Ca 0.39 1.66 0.13 0.00 -0.26 0.00 0.00 60.65 62.56 3kwh s ILE 143 Cb -0.24 -4.01 -0.18 0.00 1.25 0.00 0.00 42.46 39.28 3kwh s ILE 143 CO 0.28 0.31 0.34 0.41 0.24 0.00 0.00 174.94 176.52 3kwh n THR 144 N 0.98 0.00 -3.93 8.37 -1.04 -1.26 -4.67 114.28 112.73 3kwh n THR 144 Ca 0.00 -0.27 -0.21 0.00 -2.04 0.00 0.00 64.05 61.53 3kwh n THR 144 Cb 0.47 0.40 -0.04 0.00 -1.82 0.00 0.00 70.33 69.35 3kwh n THR 144 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3kwh s GLU 145 N -2.70 2.87 -1.35 -2.82 2.02 -1.26 -4.67 118.70 110.80 3kwh s GLU 145 Ca -0.02 -1.15 -0.07 0.00 0.02 0.00 0.00 54.97 53.75 3kwh s GLU 145 Cb 0.08 -2.56 0.01 0.00 0.10 0.00 0.00 34.13 31.77 3kwh s GLU 145 CO 0.52 0.24 0.12 0.39 0.02 0.00 0.00 175.26 176.55 3kwh n GLU 146 N -1.31 -0.81 -2.66 1.61 -0.58 -1.26 -4.79 120.64 110.84 3kwh n GLU 146 Ca -0.05 0.06 -0.35 0.00 -0.42 0.00 0.00 57.16 56.40 3kwh n GLU 146 Cb 0.59 -3.02 -0.05 0.00 -0.57 0.00 0.00 31.44 28.38 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 -7.04 4.22 0.31 3.49 0.52 -1.26 -4.74 118.95 114.45 3kwh s ARG 147 Ca 0.09 1.36 -0.30 0.00 -0.52 0.00 0.00 55.73 56.36 3kwh s ARG 147 Cb -0.05 -2.45 -0.11 0.00 0.52 0.00 0.00 34.95 32.86 3kwh s ARG 147 CO 0.90 -0.07 1.58 -0.89 0.02 0.00 0.00 175.30 176.84 3kwh n ILE 148 N -0.20 1.25 -1.20 1.52 5.41 -1.26 -4.94 119.36 119.94 3kwh n ILE 148 Ca 0.05 -0.31 -0.31 0.00 1.00 0.00 0.00 62.75 63.18 3kwh n ILE 148 Cb 0.51 -1.98 0.11 0.00 -0.71 0.00 0.00 39.64 37.57 3kwh n ILE 148 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3kwh s PRO 149 N -0.88 1.95 1.06 0.38 0.05 -1.26 -4.60 135.00 131.70 3kwh s PRO 149 Ca 0.61 1.13 -0.13 0.00 0.05 0.00 0.00 61.00 62.66 3kwh s PRO 149 Cb -0.49 -1.86 0.22 0.00 0.05 0.00 0.00 34.50 32.42 3kwh s PRO 149 CO 0.52 -1.85 1.07 -0.80 0.05 0.00 0.00 177.00 176.00 3kwh s ASN 150 N -3.34 2.05 -1.35 6.66 0.01 -1.26 -3.79 114.94 113.92 3kwh s ASN 150 Ca 0.62 1.24 0.00 0.00 -0.71 0.00 0.00 52.86 54.01 3kwh s ASN 150 Cb -0.18 -1.94 0.00 0.00 0.41 0.00 0.00 41.25 39.54 3kwh s ASN 150 CO 0.56 -3.49 0.00 0.59 -1.51 0.00 0.00 177.10 173.25 3kwh n ASN 151 N -4.42 -4.51 -4.76 -1.22 3.02 -1.21 -4.94 115.26 97.22 3kwh n ASN 151 Ca 0.04 0.16 -0.41 0.00 -0.03 0.00 0.00 54.58 54.35 3kwh n ASN 151 Cb 0.57 -3.84 -0.03 0.00 -0.61 0.00 0.00 39.78 35.86 3kwh n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kwh s THR 152 N -2.69 3.13 0.02 3.41 2.01 -0.44 -4.62 115.64 116.47 3kwh s THR 152 Ca 0.00 1.10 0.08 0.00 0.31 0.00 0.00 61.69 63.19 3kwh s THR 152 Cb 0.00 -3.70 -0.23 0.00 0.01 0.00 0.00 72.50 68.58 3kwh s THR 152 CO 0.00 0.25 0.91 1.56 -0.69 0.00 0.00 174.62 176.65 3kwh h GLN 153 N 3.83 0.03 -1.88 4.92 4.20 0.54 -1.83 115.11 124.93 3kwh h GLN 153 Ca -0.47 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.19 3kwh h GLN 153 Cb 1.22 0.02 -0.20 0.00 0.30 0.00 0.00 27.48 28.82 3kwh h GLN 153 CO 0.67 0.76 0.35 -0.46 -0.67 0.00 0.00 178.83 179.49 3kwh s TRP 154 N -2.64 -0.52 -0.01 2.96 -0.11 -1.19 -4.62 118.94 112.82 3kwh s TRP 154 Ca -0.03 0.84 -0.05 0.00 1.22 0.00 0.00 56.10 58.08 3kwh s TRP 154 Cb 0.09 0.44 0.00 0.00 -1.50 0.00 0.00 33.47 32.50 3kwh s TRP 154 CO 0.83 -0.51 0.10 0.08 -4.62 0.00 0.00 176.95 172.82 3kwh s VAL 155 N -1.37 0.06 -0.22 5.86 1.01 -1.26 -1.38 120.40 123.11 3kwh s VAL 155 Ca -0.06 -0.51 -0.14 0.00 0.00 0.00 0.00 61.98 61.27 3kwh s VAL 155 Cb -0.00 -0.31 0.07 0.00 0.00 0.00 0.00 36.38 36.13 3kwh s VAL 155 CO 0.05 -0.28 0.54 -0.89 0.00 0.00 0.00 175.10 174.51 3kwh s THR 156 N -0.93 -0.01 0.56 3.92 2.01 0.36 -4.99 115.64 116.56 3kwh s THR 156 Ca -0.10 0.04 -0.19 0.00 0.31 0.00 0.00 61.69 61.75 3kwh s THR 156 Cb -0.06 -0.78 -0.05 0.00 0.01 0.00 0.00 72.50 71.62 3kwh s THR 156 CO 0.01 0.02 1.15 0.26 -0.69 0.00 0.00 174.62 175.36 3kwh s TRP 157 N 1.27 2.60 0.91 4.92 0.52 -1.26 -1.48 118.94 126.42 3kwh s TRP 157 Ca -0.08 1.54 -0.11 0.00 0.02 0.00 0.00 56.10 57.47 3kwh s TRP 157 Cb -0.06 -3.33 0.14 0.00 -1.15 0.00 0.00 33.47 29.07 3kwh s TRP 157 CO -0.13 -1.73 1.09 -1.54 0.02 0.00 0.00 176.95 174.66 3kwh s SER 158 N -1.78 3.30 0.43 2.95 1.04 -0.24 -4.92 113.70 114.49 3kwh s SER 158 Ca 0.73 1.60 0.15 0.00 0.48 0.00 0.00 55.95 58.91 3kwh s SER 158 Cb -0.25 -2.26 0.97 0.00 0.10 0.00 0.00 66.02 64.57 3kwh s SER 158 CO 0.29 -2.76 1.96 -0.65 0.98 0.00 0.00 173.24 173.05 3kwh h PRO 159 N -1.63 0.00 -5.24 4.02 0.11 -1.85 -3.42 132.00 123.97 3kwh h PRO 159 Ca -0.49 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.23 3kwh h PRO 159 Cb 1.28 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.18 3kwh h PRO 159 CO 0.52 0.23 -0.77 0.14 -0.21 0.00 0.00 178.00 177.91 3kwh s VAL 160 N -4.49 1.05 0.00 3.15 -7.23 -1.26 -4.67 120.40 106.95 3kwh s VAL 160 Ca -0.04 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 3kwh s VAL 160 Cb 0.15 -1.06 0.00 0.00 0.56 0.00 0.00 36.38 36.03 3kwh s VAL 160 CO 0.70 -0.27 0.00 0.61 -0.31 0.00 0.00 175.10 175.83 3kwh n GLY 161 N 1.23 -0.02 1.04 2.32 0.00 -1.26 -4.52 105.19 103.97 3kwh n GLY 161 Ca -0.21 -1.15 0.02 0.00 0.00 0.00 0.00 46.02 44.68 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 4.19 0.00 -2.00 1.61 1.44 -1.26 -2.56 115.22 116.63 3kwh n HIS 162 Ca 0.00 -0.27 -0.38 0.00 -2.01 0.00 0.00 57.72 55.06 3kwh n HIS 162 Cb 0.00 -0.10 0.02 0.00 0.12 0.00 0.00 29.99 30.02 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 -0.01 3.47 -0.01 -1.40 1.02 -1.26 -4.69 119.74 116.86 3kwh s LYS 163 Ca 0.18 2.03 0.08 0.00 0.02 0.00 0.00 55.97 58.29 3kwh s LYS 163 Cb 0.21 -2.36 -0.02 0.00 -0.52 0.00 0.00 37.83 35.14 3kwh s LYS 163 CO -0.09 -0.87 -0.25 -0.51 -0.92 0.00 0.00 175.35 172.71 3kwh s LEU 164 N -3.23 2.07 -0.06 3.17 1.43 0.17 -1.08 118.68 121.15 3kwh s LEU 164 Ca 0.67 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 3kwh s LEU 164 Cb -0.35 -1.29 0.02 0.00 0.03 0.00 0.00 46.19 44.59 3kwh s LEU 164 CO 0.42 0.30 -0.10 0.00 0.23 0.00 0.00 176.35 177.20 3kwh s ALA 165 N -0.63 1.09 0.17 4.21 0.00 -0.55 0.14 121.76 126.18 3kwh s ALA 165 Ca 0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 3kwh s ALA 165 Cb -0.10 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 3kwh s ALA 165 CO -0.00 0.08 0.12 1.52 0.00 0.00 0.00 175.76 177.48 3kwh s TYR 166 N 0.73 0.93 -0.10 0.00 -0.85 0.11 -0.49 117.35 117.67 3kwh s TYR 166 Ca -0.14 -1.24 0.00 0.00 -0.52 0.00 0.00 57.07 55.18 3kwh s TYR 166 Cb -0.15 -0.45 0.02 0.00 0.38 0.00 0.00 41.96 41.75 3kwh s TYR 166 CO 0.03 -0.60 -0.09 0.08 -1.52 0.00 0.00 175.55 173.44 3kwh s VAL 167 N -4.09 1.06 -0.01 -3.49 1.01 -0.48 0.18 120.40 114.58 3kwh s VAL 167 Ca 0.30 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 3kwh s VAL 167 Cb 0.07 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.41 3kwh s VAL 167 CO 0.06 0.36 0.01 0.86 0.00 0.00 0.00 175.10 176.40 3kwh s TRP 168 N 1.42 0.01 -1.28 5.22 -0.00 -0.33 0.11 118.94 124.09 3kwh s TRP 168 Ca -0.00 0.06 -0.14 0.00 -0.00 0.00 0.00 56.10 56.02 3kwh s TRP 168 Cb -0.13 -0.11 0.13 0.00 -0.00 0.00 0.00 33.47 33.35 3kwh s TRP 168 CO -0.05 -0.04 0.46 0.09 -0.00 0.00 0.00 176.95 177.41 3kwh n ASN 169 N 3.59 -2.46 -0.26 5.86 5.03 -1.26 -0.90 115.26 124.85 3kwh n ASN 169 Ca -0.19 -0.58 -0.03 0.00 0.87 0.00 0.00 54.58 54.64 3kwh n ASN 169 Cb 0.55 -2.10 -0.01 0.00 -1.02 0.00 0.00 39.78 37.20 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 -2.23 -4.17 -4.48 6.41 4.13 -1.26 -4.28 115.26 109.38 3kwh n ASN 170 Ca 0.05 0.08 -0.27 0.00 1.68 0.00 0.00 54.58 56.12 3kwh n ASN 170 Cb 0.49 -1.97 -0.11 0.00 -1.54 0.00 0.00 39.78 36.66 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 -2.35 3.74 0.11 6.41 1.01 -0.08 -2.35 116.67 123.15 3kwh s ASP 171 Ca 0.00 -0.77 -0.15 0.00 0.71 0.00 0.00 52.55 52.34 3kwh s ASP 171 Cb 0.00 -0.43 -0.07 0.00 1.01 0.00 0.00 42.92 43.44 3kwh s ASP 171 CO 0.00 0.11 0.52 -0.63 0.21 0.00 0.00 175.17 175.38 3kwh s ILE 172 N -1.74 4.88 0.02 0.77 1.01 -1.26 -1.19 121.20 123.69 3kwh s ILE 172 Ca 0.23 0.88 0.03 0.00 0.00 0.00 0.00 60.65 61.78 3kwh s ILE 172 Cb -0.08 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 3kwh s ILE 172 CO 0.12 0.36 -0.09 -0.31 0.00 0.00 0.00 174.94 175.02 3kwh s TYR 173 N -1.34 0.74 -0.03 3.97 1.51 0.13 -2.03 117.35 120.31 3kwh s TYR 173 Ca 0.34 -0.29 0.06 0.00 -1.01 0.00 0.00 57.07 56.16 3kwh s TYR 173 Cb -0.16 -0.46 -0.01 0.00 -0.11 0.00 0.00 41.96 41.22 3kwh s TYR 173 CO 0.18 -0.02 -0.21 0.08 -1.11 0.00 0.00 175.55 174.47 3kwh s VAL 174 N -0.71 1.66 -0.14 0.71 1.01 -0.47 -0.71 120.40 121.74 3kwh s VAL 174 Ca -0.02 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.10 3kwh s VAL 174 Cb -0.06 -1.39 -0.00 0.00 0.00 0.00 0.00 36.38 34.92 3kwh s VAL 174 CO 0.00 0.47 -0.18 -0.54 0.00 0.00 0.00 175.10 174.85 3kwh s LYS 175 N -0.31 3.18 -0.06 2.72 1.02 0.36 -1.08 119.74 125.58 3kwh s LYS 175 Ca 0.03 -0.78 -0.14 0.00 0.02 0.00 0.00 55.97 55.10 3kwh s LYS 175 Cb -0.10 -2.52 -0.30 0.00 -0.52 0.00 0.00 37.83 34.38 3kwh s LYS 175 CO 0.01 0.08 0.70 0.82 -0.92 0.00 0.00 175.35 176.04 3kwh h ILE 176 N 5.65 1.08 -4.08 2.17 1.08 -1.84 0.49 117.51 122.06 3kwh h ILE 176 Ca -0.28 -2.50 -0.52 0.00 -0.39 0.00 0.00 64.86 61.17 3kwh h ILE 176 Cb 1.21 2.84 -0.25 0.00 -3.07 0.00 0.00 36.82 37.54 3kwh h ILE 176 CO 0.54 0.79 -0.82 -1.61 -0.69 0.00 0.00 178.15 176.36 3kwh s GLU 177 N -2.53 1.15 0.33 2.37 0.41 -1.26 -4.29 118.70 114.88 3kwh s GLU 177 Ca -0.16 -0.89 0.09 0.00 -0.41 0.00 0.00 54.97 53.59 3kwh s GLU 177 Cb 0.04 -1.24 0.82 0.00 -1.78 0.00 0.00 34.13 31.98 3kwh s GLU 177 CO 0.84 0.31 1.79 -1.35 -0.49 0.00 0.00 175.26 176.35 3kwh h PRO 178 N 4.78 0.66 -0.64 0.39 0.11 -1.89 -2.77 132.00 132.65 3kwh h PRO 178 Ca -0.41 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kwh h PRO 178 Cb 1.17 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3kwh h PRO 178 CO 0.43 0.44 0.00 0.27 -0.21 0.00 0.00 178.00 178.93 3kwh n ASN 179 N -4.71 3.87 -4.72 -2.05 6.94 -1.26 -4.85 115.26 108.48 3kwh n ASN 179 Ca 0.23 -2.24 -0.25 0.00 -0.02 0.00 0.00 54.58 52.30 3kwh n ASN 179 Cb 0.62 -0.49 -0.07 0.00 -2.36 0.00 0.00 39.78 37.48 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 -1.41 3.49 0.63 -4.53 2.01 -1.05 -4.57 118.68 113.25 3kwh s LEU 180 Ca 0.43 -0.35 -0.17 0.00 0.01 0.00 0.00 54.13 54.05 3kwh s LEU 180 Cb 0.26 -2.09 -0.10 0.00 0.01 0.00 0.00 46.19 44.27 3kwh s LEU 180 CO 0.24 0.05 0.20 -2.65 1.01 0.00 0.00 176.35 175.20 3kwh n PRO 181 N -0.46 0.24 -3.41 1.29 -0.02 -1.26 -4.84 135.00 126.53 3kwh n PRO 181 Ca -0.09 0.10 -0.27 0.00 -2.02 0.00 0.00 63.50 61.23 3kwh n PRO 181 Cb 0.56 -1.45 -0.02 0.00 -0.02 0.00 0.00 33.50 32.57 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 -1.19 6.38 -0.11 2.55 1.04 -1.26 -4.71 113.70 116.40 3kwh s SER 182 Ca 0.61 0.56 -0.10 0.00 0.48 0.00 0.00 55.95 57.51 3kwh s SER 182 Cb -0.41 -2.08 -0.05 0.00 0.10 0.00 0.00 66.02 63.58 3kwh s SER 182 CO 0.62 -0.20 0.20 -0.31 0.98 0.00 0.00 173.24 174.53 3kwh s TYR 183 N -2.13 3.58 -0.33 5.02 1.51 -0.24 -4.92 117.35 119.84 3kwh s TYR 183 Ca 0.41 0.59 -0.22 0.00 -1.01 0.00 0.00 57.07 56.85 3kwh s TYR 183 Cb -0.10 -2.08 -0.00 0.00 -0.11 0.00 0.00 41.96 39.66 3kwh s TYR 183 CO 0.32 0.60 0.70 0.50 -1.11 0.00 0.00 175.55 176.56 3kwh s ARG 184 N -0.66 3.83 -0.02 -0.62 3.52 -1.26 -1.37 118.95 122.37 3kwh s ARG 184 Ca 0.16 0.31 -0.00 0.00 -0.13 0.00 0.00 55.73 56.06 3kwh s ARG 184 Cb -0.13 -3.76 -0.26 0.00 -1.56 0.00 0.00 34.95 29.23 3kwh s ARG 184 CO 0.05 -0.69 0.77 0.82 -0.81 0.00 0.00 175.30 175.43 3kwh h ILE 185 N 5.63 1.05 -3.23 4.11 1.08 -1.78 -3.40 117.51 120.97 3kwh h ILE 185 Ca -0.26 -2.74 -0.38 0.00 -0.39 0.00 0.00 64.86 61.09 3kwh h ILE 185 Cb 1.11 2.67 -0.15 0.00 -3.07 0.00 0.00 36.82 37.37 3kwh h ILE 185 CO 0.85 0.78 -0.73 0.42 -0.69 0.00 0.00 178.15 178.78 3kwh s THR 186 N -2.61 1.40 0.00 -0.27 -4.23 -1.24 -4.83 115.64 103.86 3kwh s THR 186 Ca -0.10 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.35 3kwh s THR 186 Cb 0.07 -1.87 0.00 0.00 1.34 0.00 0.00 72.50 72.04 3kwh s THR 186 CO 0.83 -0.64 0.11 0.79 -0.54 0.00 0.00 174.62 175.17 3kwh n TRP 187 N -0.16 0.00 1.51 3.99 7.02 -1.26 -4.56 117.44 123.99 3kwh n TRP 187 Ca -0.10 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.52 3kwh n TRP 187 Cb 0.60 0.00 0.64 0.00 -2.42 0.00 0.00 31.31 30.13 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 -0.14 0.00 -1.71 -0.99 -2.24 -1.26 -4.94 114.28 103.00 3kwh n THR 188 Ca 0.00 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.26 3kwh n THR 188 Cb 0.10 -0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.30 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 1.22 0.88 3.36 3.38 0.00 -1.26 -4.72 105.19 108.05 3kwh n GLY 189 Ca 0.17 0.41 -0.09 0.00 0.00 0.00 0.00 46.02 46.50 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 -1.12 0.46 0.19 1.61 2.20 -1.00 -4.92 119.74 117.17 3kwh s LYS 190 Ca 0.61 0.94 -0.31 0.00 -0.36 0.00 0.00 55.97 56.85 3kwh s LYS 190 Cb -0.57 0.09 -0.16 0.00 -1.51 0.00 0.00 37.83 35.69 3kwh s LYS 190 CO 0.55 -0.17 0.98 -1.91 -0.36 0.00 0.00 175.35 174.44 3kwh n GLU 191 N 4.48 0.86 -0.61 4.03 2.13 -1.26 -0.37 120.64 129.90 3kwh n GLU 191 Ca -0.20 0.31 0.00 0.00 0.66 0.00 0.00 57.16 57.92 3kwh n GLU 191 Cb 0.55 -1.66 0.00 0.00 0.27 0.00 0.00 31.44 30.59 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 1.77 -3.01 0.06 4.31 8.00 -1.26 -4.53 116.55 121.89 3kwh n ASP 192 Ca 0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.65 3kwh n ASP 192 Cb 0.25 -2.41 0.00 0.00 -0.02 0.00 0.00 41.12 38.94 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 -1.37 0.50 -4.34 0.53 5.41 0.50 -4.69 119.36 115.91 3kwh n ILE 193 Ca 0.00 0.17 -0.34 0.00 1.00 0.00 0.00 62.75 63.58 3kwh n ILE 193 Cb 0.25 -0.97 -0.14 0.00 -0.71 0.00 0.00 39.64 38.08 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 -1.68 3.38 -0.24 1.39 -1.09 0.05 -1.60 121.20 121.41 3kwh s ILE 194 Ca 0.00 -0.52 -0.01 0.00 -2.23 0.00 0.00 60.65 57.89 3kwh s ILE 194 Cb 0.00 -2.48 0.02 0.00 -1.58 0.00 0.00 42.46 38.42 3kwh s ILE 194 CO 0.00 0.48 -0.08 -0.31 -1.23 0.00 0.00 174.94 173.80 3kwh s TYR 195 N 0.80 3.02 -0.30 3.97 1.51 0.60 -2.36 117.35 124.58 3kwh s TYR 195 Ca -0.03 -1.53 -0.04 0.00 -1.01 0.00 0.00 57.07 54.46 3kwh s TYR 195 Cb -0.15 -2.04 0.03 0.00 -0.11 0.00 0.00 41.96 39.70 3kwh s TYR 195 CO 0.01 -0.73 0.04 -0.80 -1.11 0.00 0.00 175.55 172.97 3kwh s ASN 196 N 1.33 4.98 0.00 2.29 0.01 -0.99 -1.02 114.94 121.53 3kwh s ASN 196 Ca 0.01 -1.05 0.00 0.00 -0.71 0.00 0.00 52.86 51.11 3kwh s ASN 196 Cb -0.16 -1.79 0.00 0.00 0.41 0.00 0.00 41.25 39.71 3kwh s ASN 196 CO -0.06 -0.25 0.00 0.61 -1.51 0.00 0.00 177.10 175.90 3kwh n GLY 197 N 4.74 1.46 3.38 0.66 0.00 -0.23 -4.35 105.19 110.85 3kwh n GLY 197 Ca -0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.02 1.85 0.35 -0.61 -4.36 -1.26 -0.50 121.20 113.64 3kwh s ILE 198 Ca 0.00 -2.23 0.00 0.00 -0.26 0.00 0.00 60.65 58.16 3kwh s ILE 198 Cb 0.00 -2.15 -0.03 0.00 1.25 0.00 0.00 42.46 41.53 3kwh s ILE 198 CO 0.00 -0.52 0.55 0.42 0.24 0.00 0.00 174.94 175.63 3kwh s THR 199 N -2.90 5.10 0.43 8.37 -4.23 0.51 -4.74 115.64 118.18 3kwh s THR 199 Ca 0.25 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 3kwh s THR 199 Cb -0.01 -3.85 0.09 0.00 1.34 0.00 0.00 72.50 70.06 3kwh s THR 199 CO 0.09 -0.55 0.59 -0.90 -0.54 0.00 0.00 174.62 173.31 3kwh n ASP 200 N -1.74 0.86 -0.07 3.99 5.75 -1.26 -4.75 116.55 119.33 3kwh n ASP 200 Ca -0.04 -1.71 -0.07 0.00 -0.01 0.00 0.00 54.79 52.95 3kwh n ASP 200 Cb 0.56 -0.38 -0.01 0.00 -1.03 0.00 0.00 41.12 40.26 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 -0.47 -0.37 -0.52 2.11 7.01 -2.00 -1.65 115.95 120.07 3kwh h TRP 201 Ca -0.20 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.75 3kwh h TRP 201 Cb 0.74 0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.99 3kwh h TRP 201 CO 0.00 -0.22 -0.04 -0.39 -2.79 0.00 0.00 178.44 175.00 3kwh h VAL 202 N -0.11 1.26 -0.15 2.65 -1.51 -1.94 -2.53 116.25 113.92 3kwh h VAL 202 Ca 0.15 -1.12 -0.15 0.00 -1.23 0.00 0.00 66.70 64.35 3kwh h VAL 202 Cb 0.34 0.90 -0.01 0.00 -2.13 0.00 0.00 31.29 30.39 3kwh h VAL 202 CO -0.36 0.40 -0.54 1.88 -1.23 0.00 0.00 177.57 177.72 3kwh h TYR 203 N 0.82 0.53 -0.38 5.19 -1.99 -1.86 0.16 116.97 119.45 3kwh h TYR 203 Ca 0.15 -0.18 -0.00 0.00 2.00 0.00 0.00 58.73 60.69 3kwh h TYR 203 Cb 0.54 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.15 3kwh h TYR 203 CO 0.03 0.87 0.23 1.49 -0.00 0.00 0.00 178.16 180.78 3kwh h GLU 204 N 0.33 0.52 0.00 4.88 4.81 -1.04 -1.66 114.58 122.42 3kwh h GLU 204 Ca 0.01 -0.05 -0.24 0.00 -0.13 0.00 0.00 59.36 58.95 3kwh h GLU 204 Cb 1.05 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.28 3kwh h GLU 204 CO 0.09 0.39 -1.26 1.49 -0.73 0.00 0.00 179.01 178.99 3kwh h GLU 205 N 0.50 0.01 0.00 1.92 4.57 -1.20 -2.35 114.58 118.02 3kwh h GLU 205 Ca 0.14 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 3kwh h GLU 205 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3kwh h GLU 205 CO -0.03 0.82 -0.75 0.39 -1.18 0.00 0.00 179.01 178.27 3kwh n GLU 206 N -3.24 1.89 -0.06 1.92 -0.58 0.02 -4.68 120.64 115.92 3kwh n GLU 206 Ca -0.06 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.58 3kwh n GLU 206 Cb 0.98 -0.87 -0.03 0.00 -0.57 0.00 0.00 31.44 30.95 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 -1.25 1.34 -0.02 2.62 0.31 -1.12 -4.84 118.33 115.37 3kwh n VAL 207 Ca 0.00 0.12 0.03 0.00 -0.01 0.00 0.00 64.34 64.47 3kwh n VAL 207 Cb 0.09 -2.03 -0.14 0.00 -0.91 0.00 0.00 33.84 30.85 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 -4.09 0.24 -3.62 3.52 3.72 -0.64 -4.99 117.46 111.60 3kwh n PHE 208 Ca -0.16 0.08 -0.24 0.00 -0.05 0.00 0.00 57.45 57.08 3kwh n PHE 208 Cb 0.45 -0.78 0.07 0.00 -0.94 0.00 0.00 39.48 38.28 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 -2.54 -5.74 -3.48 4.37 7.64 -0.90 -4.97 113.62 107.99 3kwh n SER 209 Ca -0.13 -0.58 -0.11 0.00 1.01 0.00 0.00 58.87 59.06 3kwh n SER 209 Cb 0.79 -4.90 -0.03 0.00 -1.01 0.00 0.00 64.21 59.06 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 -3.33 -1.75 -0.07 -0.43 0.00 -1.09 -4.98 121.76 110.11 3kwh s ALA 210 Ca 0.54 0.93 0.14 0.00 0.00 0.00 0.00 51.96 53.57 3kwh s ALA 210 Cb -0.24 0.42 -0.19 0.00 0.00 0.00 0.00 23.12 23.11 3kwh s ALA 210 CO 0.74 -0.64 0.75 -0.92 0.00 0.00 0.00 175.76 175.69 3kwh h TYR 211 N 2.17 0.00 -3.99 0.00 3.20 -1.86 -3.36 116.97 113.13 3kwh h TYR 211 Ca -0.26 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 61.08 3kwh h TYR 211 Cb 1.25 0.00 0.10 0.00 1.54 0.00 0.00 36.73 39.61 3kwh h TYR 211 CO 0.26 0.82 0.60 0.45 -1.64 0.00 0.00 178.16 178.65 3kwh s SER 212 N -5.97 5.97 -0.35 -2.11 0.15 -1.26 -0.36 113.70 109.77 3kwh s SER 212 Ca -0.04 2.66 0.15 0.00 0.70 0.00 0.00 55.95 59.42 3kwh s SER 212 Cb 0.08 -2.63 0.43 0.00 -1.71 0.00 0.00 66.02 62.19 3kwh s SER 212 CO 0.82 -1.08 1.07 0.00 1.20 0.00 0.00 173.24 175.24 3kwh n ALA 213 N -0.31 2.64 -2.61 5.45 0.00 0.34 -4.54 120.51 121.48 3kwh n ALA 213 Ca 0.06 -2.57 -0.23 0.00 0.00 0.00 0.00 53.44 50.70 3kwh n ALA 213 Cb 0.44 -0.96 -0.15 0.00 0.00 0.00 0.00 19.45 18.78 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 -3.10 2.00 -0.19 0.00 1.02 -1.25 -2.81 118.68 114.35 3kwh s LEU 214 Ca 0.26 -0.28 -0.04 0.00 0.02 0.00 0.00 54.13 54.08 3kwh s LEU 214 Cb 0.43 -0.80 0.08 0.00 0.02 0.00 0.00 46.19 45.92 3kwh s LEU 214 CO -0.00 0.18 0.18 0.26 0.02 0.00 0.00 176.35 176.98 3kwh s TRP 215 N -0.28 -0.12 0.67 0.29 0.51 0.34 -5.00 118.94 115.35 3kwh s TRP 215 Ca 0.04 0.03 -0.11 0.00 -2.12 0.00 0.00 56.10 53.94 3kwh s TRP 215 Cb -0.07 -0.48 -0.00 0.00 -0.81 0.00 0.00 33.47 32.11 3kwh s TRP 215 CO -0.00 -0.58 1.05 -1.58 -0.51 0.00 0.00 176.95 175.34 3kwh s TRP 216 N 2.26 3.16 0.71 -1.98 0.52 -1.26 -1.10 118.94 121.25 3kwh s TRP 216 Ca 0.05 1.42 -0.11 0.00 0.02 0.00 0.00 56.10 57.48 3kwh s TRP 216 Cb -0.16 -2.88 0.02 0.00 -1.15 0.00 0.00 33.47 29.30 3kwh s TRP 216 CO -0.11 -1.14 1.07 -1.12 0.02 0.00 0.00 176.95 175.67 3kwh s SER 217 N -3.70 5.31 0.31 2.95 0.01 0.26 -4.89 113.70 113.94 3kwh s SER 217 Ca 0.58 1.39 0.04 0.00 1.31 0.00 0.00 55.95 59.27 3kwh s SER 217 Cb -0.14 -2.24 0.50 0.00 0.21 0.00 0.00 66.02 64.35 3kwh s SER 217 CO 0.52 -1.46 1.78 -0.65 0.41 0.00 0.00 173.24 173.84 3kwh h PRO 218 N -0.73 0.44 -0.33 12.44 0.11 -1.91 -0.88 132.00 141.14 3kwh h PRO 218 Ca -0.45 -0.14 -0.05 0.00 0.11 0.00 0.00 66.00 65.46 3kwh h PRO 218 Cb 1.23 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3kwh h PRO 218 CO 0.60 0.62 -0.03 -0.91 -0.21 0.00 0.00 178.00 178.07 3kwh h ASN 219 N 0.40 0.49 0.00 -2.05 2.35 -1.93 -3.41 115.58 111.43 3kwh h ASN 219 Ca 0.07 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3kwh h ASN 219 Cb 0.57 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.82 3kwh h ASN 219 CO 0.04 0.58 0.00 0.61 -1.65 0.00 0.00 177.43 177.01 3kwh n GLY 220 N -0.83 0.75 0.24 2.83 0.00 -0.33 -4.77 105.19 103.07 3kwh n GLY 220 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 0.46 -3.10 2.61 2.02 -1.90 -3.45 112.91 109.56 3kwh h THR 221 Ca 0.00 -0.62 -0.60 0.00 0.77 0.00 0.00 66.41 65.96 3kwh h THR 221 Cb 0.00 0.70 -0.07 0.00 -1.74 0.00 0.00 68.15 67.04 3kwh h THR 221 CO 0.00 0.09 -0.23 -0.36 0.37 0.00 0.00 175.52 175.39 3kwh s PHE 222 N -4.26 3.63 -0.31 3.16 0.08 -1.26 0.22 117.98 119.23 3kwh s PHE 222 Ca -0.13 0.87 -0.04 0.00 0.12 0.00 0.00 56.93 57.74 3kwh s PHE 222 Cb 0.02 -2.32 0.04 0.00 -0.57 0.00 0.00 43.02 40.18 3kwh s PHE 222 CO 0.46 0.49 0.05 -1.17 -0.10 0.00 0.00 175.22 174.94 3kwh s LEU 223 N -0.46 3.98 -0.05 -0.37 0.20 -0.13 -0.58 118.68 121.27 3kwh s LEU 223 Ca 0.22 -1.09 -0.06 0.00 0.69 0.00 0.00 54.13 53.89 3kwh s LEU 223 Cb -0.15 -1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 43.77 3kwh s LEU 223 CO 0.10 -0.26 0.20 0.00 -0.29 0.00 0.00 176.35 176.10 3kwh s ALA 224 N 1.36 3.89 -0.03 5.97 0.00 -0.26 -1.02 121.76 131.67 3kwh s ALA 224 Ca -0.02 -0.64 -0.19 0.00 0.00 0.00 0.00 51.96 51.12 3kwh s ALA 224 Cb -0.19 -1.99 0.03 0.00 0.00 0.00 0.00 23.12 20.98 3kwh s ALA 224 CO 0.01 0.66 0.40 1.52 0.00 0.00 0.00 175.76 178.34 3kwh s TYR 225 N -1.18 -0.30 0.06 0.00 1.13 -0.83 -0.51 117.35 115.71 3kwh s TYR 225 Ca 0.22 0.50 0.00 0.00 -1.41 0.00 0.00 57.07 56.38 3kwh s TYR 225 Cb -0.13 0.17 -0.04 0.00 -1.10 0.00 0.00 41.96 40.87 3kwh s TYR 225 CO 0.12 -0.44 0.20 0.00 -2.51 0.00 0.00 175.55 172.91 3kwh s ALA 226 N -1.26 3.97 -0.04 9.51 0.00 -1.12 -1.20 121.76 131.62 3kwh s ALA 226 Ca -0.13 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.04 3kwh s ALA 226 Cb -0.04 -1.80 -0.01 0.00 0.00 0.00 0.00 23.12 21.27 3kwh s ALA 226 CO 0.06 0.82 -0.22 -1.14 0.00 0.00 0.00 175.76 175.28 3kwh s GLN 227 N -2.47 2.05 -0.05 0.00 0.74 0.56 -1.07 119.66 119.43 3kwh s GLN 227 Ca 0.34 -0.78 0.06 0.00 0.05 0.00 0.00 55.36 55.03 3kwh s GLN 227 Cb -0.13 -1.83 -0.01 0.00 1.10 0.00 0.00 33.01 32.14 3kwh s GLN 227 CO 0.27 0.38 -0.22 -0.06 -0.55 0.00 0.00 175.29 175.11 3kwh s PHE 228 N -0.23 2.13 -0.19 1.67 0.08 -0.19 -0.62 117.98 120.63 3kwh s PHE 228 Ca 0.01 -0.59 -0.00 0.00 0.12 0.00 0.00 56.93 56.46 3kwh s PHE 228 Cb -0.11 -1.40 0.01 0.00 -0.57 0.00 0.00 43.02 40.95 3kwh s PHE 228 CO 0.02 -0.17 -0.16 1.21 -0.10 0.00 0.00 175.22 176.02 3kwh s ASN 229 N -0.16 3.44 -0.04 1.36 3.84 -0.43 -0.29 114.94 122.66 3kwh s ASN 229 Ca -0.02 -0.58 0.07 0.00 0.21 0.00 0.00 52.86 52.54 3kwh s ASN 229 Cb -0.12 -1.55 0.12 0.00 -0.55 0.00 0.00 41.25 39.15 3kwh s ASN 229 CO 0.02 0.00 1.07 0.47 -2.79 0.00 0.00 177.10 175.88 3kwh n ASP 230 N 4.63 2.22 -0.31 -4.21 9.92 -0.63 -1.74 116.55 126.44 3kwh n ASP 230 Ca -0.20 -2.34 0.00 0.00 -0.53 0.00 0.00 54.79 51.72 3kwh n ASP 230 Cb 0.50 -0.16 0.07 0.00 -0.64 0.00 0.00 41.12 40.89 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 0.20 0.09 -0.69 -3.53 2.02 -1.84 -1.14 112.91 108.03 3kwh h THR 231 Ca 0.00 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.02 3kwh h THR 231 Cb 0.69 0.09 -0.09 0.00 -1.74 0.00 0.00 68.15 67.10 3kwh h THR 231 CO 0.01 0.00 0.20 -0.62 0.37 0.00 0.00 175.52 175.48 3kwh n GLU 232 N -5.50 4.00 -3.20 6.66 1.02 -1.26 -4.86 120.64 117.50 3kwh n GLU 232 Ca 0.10 -3.02 -0.39 0.00 -0.02 0.00 0.00 57.16 53.82 3kwh n GLU 232 Cb 0.41 -2.22 -0.06 0.00 -0.02 0.00 0.00 31.44 29.55 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 -2.87 5.09 1.00 2.62 1.01 -0.43 -4.70 120.40 122.12 3kwh s VAL 233 Ca 0.54 1.08 -0.12 0.00 0.00 0.00 0.00 61.98 63.48 3kwh s VAL 233 Cb 0.42 -3.89 0.19 0.00 0.00 0.00 0.00 36.38 33.10 3kwh s VAL 233 CO 0.14 0.19 1.08 -2.84 0.00 0.00 0.00 175.10 173.67 3kwh s PRO 234 N 1.43 0.44 -0.11 2.72 0.02 -1.26 -4.75 135.00 133.49 3kwh s PRO 234 Ca 0.27 0.83 0.01 0.00 0.02 0.00 0.00 61.00 62.14 3kwh s PRO 234 Cb -0.16 -1.71 -0.02 0.00 0.02 0.00 0.00 34.50 32.63 3kwh s PRO 234 CO 0.11 -2.81 -0.15 -0.51 -0.33 0.00 0.00 177.00 173.31 3kwh s LEU 235 N -6.59 2.62 0.08 -5.54 1.43 -1.26 -1.79 118.68 107.63 3kwh s LEU 235 Ca 0.66 -0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 53.22 3kwh s LEU 235 Cb -0.20 -1.57 -0.07 0.00 0.03 0.00 0.00 46.19 44.38 3kwh s LEU 235 CO 0.59 0.20 0.60 -0.51 0.23 0.00 0.00 176.35 177.47 3kwh s ILE 236 N 0.11 4.70 0.01 -0.59 -1.16 -0.56 -4.88 121.20 118.83 3kwh s ILE 236 Ca -0.07 1.29 0.05 0.00 -0.51 0.00 0.00 60.65 61.40 3kwh s ILE 236 Cb -0.15 -3.93 -0.02 0.00 0.61 0.00 0.00 42.46 38.97 3kwh s ILE 236 CO 0.05 0.54 -0.15 -1.61 -2.81 0.00 0.00 174.94 170.96 3kwh s GLU 237 N -1.03 1.09 0.08 3.50 2.02 -1.26 -1.91 118.70 121.18 3kwh s GLU 237 Ca 0.30 -0.63 -0.26 0.00 0.02 0.00 0.00 54.97 54.40 3kwh s GLU 237 Cb -0.20 -1.08 0.08 0.00 0.10 0.00 0.00 34.13 33.03 3kwh s GLU 237 CO 0.20 0.29 0.70 1.52 0.02 0.00 0.00 175.26 177.98 3kwh s TYR 238 N -0.56 -0.50 0.26 1.61 1.13 -0.68 -4.98 117.35 113.64 3kwh s TYR 238 Ca 0.04 0.42 -0.28 0.00 -1.41 0.00 0.00 57.07 55.84 3kwh s TYR 238 Cb -0.07 0.53 -0.09 0.00 -1.10 0.00 0.00 41.96 41.23 3kwh s TYR 238 CO 0.00 -0.72 0.93 -1.12 -2.51 0.00 0.00 175.55 172.13 3kwh s SER 239 N -2.41 7.52 -0.16 -0.18 0.01 -1.26 0.29 113.70 117.51 3kwh s SER 239 Ca 0.00 1.89 0.01 0.00 1.31 0.00 0.00 55.95 59.16 3kwh s SER 239 Cb -0.01 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.65 3kwh s SER 239 CO -0.08 0.08 -0.20 0.12 0.41 0.00 0.00 173.24 173.57 3kwh s PHE 240 N -1.33 2.63 0.01 2.43 5.36 -0.25 -4.62 117.98 122.22 3kwh s PHE 240 Ca 0.44 -1.47 -0.07 0.00 -0.96 0.00 0.00 56.93 54.86 3kwh s PHE 240 Cb -0.23 -1.82 -0.30 0.00 -0.34 0.00 0.00 43.02 40.32 3kwh s PHE 240 CO 0.29 -0.72 0.91 1.88 -1.46 0.00 0.00 175.22 176.12 3kwh h TYR 241 N 7.74 0.62 -1.64 10.12 0.05 -1.97 -2.19 116.97 129.70 3kwh h TYR 241 Ca -0.40 -0.45 0.00 0.00 0.05 0.00 0.00 58.73 57.92 3kwh h TYR 241 Cb 1.16 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.87 3kwh h TYR 241 CO 0.47 1.45 0.00 -1.13 -1.05 0.00 0.00 178.16 177.90 3kwh n SER 242 N -3.55 -4.93 -4.64 3.88 3.41 -1.26 -4.72 113.62 101.81 3kwh n SER 242 Ca -0.16 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.10 3kwh n SER 242 Cb 1.06 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 65.12 3kwh n SER 242 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3kwh n ASP 243 N -2.68 0.65 -0.36 4.04 8.00 -1.26 -4.86 116.55 120.07 3kwh n ASP 243 Ca 0.00 0.62 0.29 0.00 0.71 0.00 0.00 54.79 56.41 3kwh n ASP 243 Cb 0.00 -1.45 0.55 0.00 -0.02 0.00 0.00 41.12 40.21 3kwh n ASP 243 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3kwh h GLU 244 N -0.59 0.18 0.00 -1.24 5.08 -2.05 -1.38 114.58 114.58 3kwh h GLU 244 Ca -0.47 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3kwh h GLU 244 Cb 1.31 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3kwh h GLU 244 CO 0.46 0.12 0.00 0.66 -1.00 0.00 0.00 179.01 179.25 3kwh h SER 245 N 0.19 0.00 -3.17 1.42 4.64 -1.95 -3.41 113.55 111.27 3kwh h SER 245 Ca 0.78 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.53 3kwh h SER 245 Cb 2.06 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 64.10 3kwh h SER 245 CO -0.56 0.00 1.01 -0.22 -0.87 0.00 0.00 176.83 176.18 3kwh s LEU 246 N -6.08 3.80 0.04 5.97 0.20 -0.52 -4.90 118.68 117.19 3kwh s LEU 246 Ca -0.05 1.11 -0.21 0.00 0.69 0.00 0.00 54.13 55.68 3kwh s LEU 246 Cb 0.13 -3.54 -0.14 0.00 -0.43 0.00 0.00 46.19 42.21 3kwh s LEU 246 CO 0.41 -1.19 1.38 -0.61 -0.29 0.00 0.00 176.35 176.05 3kwh h GLN 247 N 9.75 0.32 -5.53 1.98 4.15 -1.90 -3.43 115.11 120.45 3kwh h GLN 247 Ca -0.27 -0.15 -0.65 0.00 0.77 0.00 0.00 58.65 58.35 3kwh h GLN 247 Cb 1.10 -0.00 -0.21 0.00 0.21 0.00 0.00 27.48 28.58 3kwh h GLN 247 CO 1.05 0.66 -0.68 0.71 -1.93 0.00 0.00 178.83 178.64 3kwh s TYR 248 N -4.49 2.99 0.66 3.99 1.51 -1.26 -5.10 117.35 115.65 3kwh s TYR 248 Ca -0.14 -0.23 -0.17 0.00 -1.01 0.00 0.00 57.07 55.51 3kwh s TYR 248 Cb 0.05 -1.88 -0.00 0.00 -0.11 0.00 0.00 41.96 40.02 3kwh s TYR 248 CO 0.74 0.06 1.26 -2.14 -1.11 0.00 0.00 175.55 174.36 3kwh s PRO 249 N 0.02 2.50 0.15 -1.71 0.02 -1.26 -5.02 135.00 129.69 3kwh s PRO 249 Ca -0.00 1.96 -0.04 0.00 0.02 0.00 0.00 61.00 62.94 3kwh s PRO 249 Cb -0.13 -1.85 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 3kwh s PRO 249 CO 0.03 -1.61 0.37 0.21 -0.33 0.00 0.00 177.00 175.67 3kwh s LYS 250 N -3.50 3.60 -0.29 5.54 2.20 -0.82 -4.94 119.74 121.53 3kwh s LYS 250 Ca 0.80 -0.12 -0.07 0.00 -0.36 0.00 0.00 55.97 56.22 3kwh s LYS 250 Cb -0.35 -2.85 -0.00 0.00 -1.51 0.00 0.00 37.83 33.12 3kwh s LYS 250 CO 0.40 0.46 0.09 0.99 -0.36 0.00 0.00 175.35 176.93 3kwh s THR 251 N -1.68 4.15 0.03 3.43 2.01 -1.26 -1.09 115.64 121.23 3kwh s THR 251 Ca 0.41 -0.52 -0.26 0.00 0.31 0.00 0.00 61.69 61.63 3kwh s THR 251 Cb -0.12 -3.08 -0.05 0.00 0.01 0.00 0.00 72.50 69.26 3kwh s THR 251 CO 0.25 0.14 0.79 -0.69 -0.69 0.00 0.00 174.62 174.43 3kwh s VAL 252 N 1.55 4.76 -0.13 3.82 1.01 0.14 -4.89 120.40 126.66 3kwh s VAL 252 Ca 0.04 1.68 -0.00 0.00 0.00 0.00 0.00 61.98 63.70 3kwh s VAL 252 Cb -0.17 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.10 3kwh s VAL 252 CO 0.03 0.33 -0.07 -0.13 0.00 0.00 0.00 175.10 175.26 3kwh s ARG 253 N 0.14 1.50 -0.07 2.72 0.52 -1.26 -1.69 118.95 120.82 3kwh s ARG 253 Ca 0.40 -0.34 0.02 0.00 -0.52 0.00 0.00 55.73 55.29 3kwh s ARG 253 Cb -0.20 -1.73 0.01 0.00 0.52 0.00 0.00 34.95 33.55 3kwh s ARG 253 CO 0.23 -0.32 -0.12 0.08 0.02 0.00 0.00 175.30 175.20 3kwh s VAL 254 N 1.68 1.10 0.10 3.52 1.01 -0.81 -4.96 120.40 122.03 3kwh s VAL 254 Ca 0.04 -0.45 -0.31 0.00 0.00 0.00 0.00 61.98 61.26 3kwh s VAL 254 Cb -0.13 -1.01 -0.10 0.00 0.00 0.00 0.00 36.38 35.14 3kwh s VAL 254 CO -0.08 0.35 1.83 -2.84 0.00 0.00 0.00 175.10 174.36 3kwh s PRO 255 N 0.73 4.14 -0.26 2.72 0.02 -1.26 -1.50 135.00 139.58 3kwh s PRO 255 Ca -0.14 2.56 -0.01 0.00 0.02 0.00 0.00 61.00 63.44 3kwh s PRO 255 Cb -0.16 -3.72 0.15 0.00 0.02 0.00 0.00 34.50 30.80 3kwh s PRO 255 CO 0.03 -0.85 0.43 -0.47 -0.33 0.00 0.00 177.00 175.80 3kwh s TYR 256 N 3.10 -1.03 -0.59 6.54 6.14 -0.74 -4.54 117.35 126.22 3kwh s TYR 256 Ca 0.81 0.87 -0.28 0.00 0.64 0.00 0.00 57.07 59.12 3kwh s TYR 256 Cb -0.44 0.08 0.03 0.00 0.42 0.00 0.00 41.96 42.05 3kwh s TYR 256 CO 0.37 -0.82 1.18 -1.25 0.64 0.00 0.00 175.55 175.67 3kwh s PRO 257 N 2.61 3.47 1.08 4.97 0.04 -1.26 -4.57 135.00 141.34 3kwh s PRO 257 Ca 0.13 0.17 -0.16 0.00 0.04 0.00 0.00 61.00 61.18 3kwh s PRO 257 Cb -0.14 -4.03 0.23 0.00 0.04 0.00 0.00 34.50 30.59 3kwh s PRO 257 CO -0.20 -1.70 1.12 0.15 0.04 0.00 0.00 177.00 176.41 3kwh s LYS 258 N 4.92 -0.23 0.03 4.56 1.02 -1.26 -1.03 119.74 127.75 3kwh s LYS 258 Ca 0.41 0.15 -0.32 0.00 0.02 0.00 0.00 55.97 56.23 3kwh s LYS 258 Cb -0.08 -1.69 -0.11 0.00 -0.52 0.00 0.00 37.83 35.43 3kwh s LYS 258 CO 0.24 -3.10 1.87 0.00 -0.92 0.00 0.00 175.35 173.44 3kwh n ALA 259 N -4.37 1.46 -0.91 5.17 0.00 -0.35 -1.44 120.51 120.08 3kwh n ALA 259 Ca 0.09 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3kwh n ALA 259 Cb 0.59 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.48 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 4.30 0.53 3.98 0.00 0.00 -1.26 -4.88 105.19 107.86 3kwh n GLY 260 Ca 0.20 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 3kwh n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwh s ALA 261 N -2.00 3.40 0.03 4.61 0.00 -0.52 -5.02 121.76 122.27 3kwh s ALA 261 Ca 0.00 -1.67 -0.30 0.00 0.00 0.00 0.00 51.96 49.99 3kwh s ALA 261 Cb 0.00 -2.14 -0.06 0.00 0.00 0.00 0.00 23.12 20.91 3kwh s ALA 261 CO 0.00 -1.71 1.40 0.08 0.00 0.00 0.00 175.76 175.53 3kwh s VAL 262 N -3.32 3.61 0.45 0.00 1.01 -1.26 -4.94 120.40 115.95 3kwh s VAL 262 Ca 0.69 1.05 0.06 0.00 0.00 0.00 0.00 61.98 63.77 3kwh s VAL 262 Cb -0.05 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.67 3kwh s VAL 262 CO 0.46 0.02 0.62 0.20 0.00 0.00 0.00 175.10 176.41 3kwh s ASN 263 N 1.67 5.60 0.99 3.32 0.02 -1.26 -4.48 114.94 120.79 3kwh s ASN 263 Ca 0.64 -0.24 -0.12 0.00 -1.02 0.00 0.00 52.86 52.12 3kwh s ASN 263 Cb -0.33 -0.84 0.18 0.00 0.02 0.00 0.00 41.25 40.29 3kwh s ASN 263 CO 0.28 -0.82 1.10 -2.16 0.02 0.00 0.00 177.10 175.51 3kwh s PRO 264 N -4.45 0.52 0.38 -0.60 0.04 -1.26 -4.79 135.00 124.83 3kwh s PRO 264 Ca 0.54 0.51 0.08 0.00 0.04 0.00 0.00 61.00 62.17 3kwh s PRO 264 Cb -0.10 -1.75 -0.07 0.00 0.04 0.00 0.00 34.50 32.62 3kwh s PRO 264 CO 0.35 -2.67 -0.01 0.95 0.04 0.00 0.00 177.00 175.66 3kwh s THR 265 N -2.99 2.16 0.01 1.26 -4.23 -0.71 -4.96 115.64 106.18 3kwh s THR 265 Ca 0.65 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 59.12 3kwh s THR 265 Cb -0.18 -2.87 -0.01 0.00 1.34 0.00 0.00 72.50 70.77 3kwh s THR 265 CO 0.57 -0.08 -0.00 0.54 -0.54 0.00 0.00 174.62 175.10 3kwh s VAL 266 N -2.65 0.09 0.13 2.29 0.11 -1.26 -1.32 120.40 117.79 3kwh s VAL 266 Ca 0.35 -0.72 0.07 0.00 -2.93 0.00 0.00 61.98 58.75 3kwh s VAL 266 Cb 0.06 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.64 3kwh s VAL 266 CO 0.18 -0.39 -0.17 -0.54 -3.33 0.00 0.00 175.10 170.85 3kwh s LYS 267 N -1.18 1.13 -0.01 1.54 -0.14 0.21 -4.96 119.74 116.33 3kwh s LYS 267 Ca -0.13 -1.28 0.05 0.00 -1.36 0.00 0.00 55.97 53.25 3kwh s LYS 267 Cb -0.08 -1.16 -0.01 0.00 -1.68 0.00 0.00 37.83 34.90 3kwh s LYS 267 CO -0.01 0.24 -0.16 0.12 -0.76 0.00 0.00 175.35 174.79 3kwh s PHE 268 N -1.87 1.44 0.08 3.18 5.36 -1.26 -0.32 117.98 124.59 3kwh s PHE 268 Ca 0.11 -0.29 -0.01 0.00 -0.96 0.00 0.00 56.93 55.79 3kwh s PHE 268 Cb -0.06 -0.93 -0.04 0.00 -0.34 0.00 0.00 43.02 41.64 3kwh s PHE 268 CO 0.05 -0.04 -0.01 -0.06 -1.46 0.00 0.00 175.22 173.70 3kwh s PHE 269 N -0.33 0.69 -0.04 10.12 0.08 -0.34 -1.39 117.98 126.76 3kwh s PHE 269 Ca 0.05 -1.09 -0.01 0.00 0.12 0.00 0.00 56.93 56.00 3kwh s PHE 269 Cb -0.07 -0.44 0.03 0.00 -0.57 0.00 0.00 43.02 41.97 3kwh s PHE 269 CO -0.00 -0.38 0.07 0.08 -0.10 0.00 0.00 175.22 174.89 3kwh s VAL 270 N -3.90 -0.07 -0.09 -0.44 1.01 0.16 -1.97 120.40 115.09 3kwh s VAL 270 Ca 0.13 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.38 3kwh s VAL 270 Cb 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 36.38 36.30 3kwh s VAL 270 CO -0.06 0.10 -0.23 -0.69 0.00 0.00 0.00 175.10 174.22 3kwh s VAL 271 N 1.26 2.17 -0.20 2.92 1.01 -0.19 -1.26 120.40 126.12 3kwh s VAL 271 Ca -0.07 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 60.62 3kwh s VAL 271 Cb -0.12 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.44 3kwh s VAL 271 CO -0.04 0.56 1.07 0.21 0.00 0.00 0.00 175.10 176.90 3kwh s ASN 272 N 0.18 7.10 0.00 3.32 3.84 -1.26 -0.95 114.94 127.16 3kwh s ASN 272 Ca -0.13 1.44 0.26 0.00 0.21 0.00 0.00 52.86 54.64 3kwh s ASN 272 Cb -0.16 -2.54 0.63 0.00 -0.55 0.00 0.00 41.25 38.63 3kwh s ASN 272 CO 0.07 -0.65 1.49 0.41 -2.79 0.00 0.00 177.10 175.63 3kwh n THR 273 N 5.22 0.00 0.14 -5.21 -1.04 0.13 -3.67 114.28 109.85 3kwh n THR 273 Ca 0.12 -0.04 0.11 0.00 -2.04 0.00 0.00 64.05 62.20 3kwh n THR 273 Cb 0.46 0.26 -0.02 0.00 -1.82 0.00 0.00 70.33 69.22 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 -1.21 0.68 -3.63 8.00 8.00 -1.25 -4.52 116.55 122.62 3kwh n ASP 274 Ca 0.08 0.22 -0.35 0.00 0.71 0.00 0.00 54.79 55.45 3kwh n ASP 274 Cb 0.34 0.72 -0.03 0.00 -0.02 0.00 0.00 41.12 42.13 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 -2.53 5.31 -4.39 -2.24 3.41 -1.24 -5.04 113.62 106.90 3kwh n SER 275 Ca -0.00 -3.49 -0.28 0.00 -0.26 0.00 0.00 58.87 54.84 3kwh n SER 275 Cb 0.54 -0.95 -0.13 0.00 -0.26 0.00 0.00 64.21 63.41 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 -2.91 2.35 -0.02 1.04 1.43 -1.26 -4.93 118.68 114.37 3kwh s LEU 276 Ca 0.37 -0.77 0.07 0.00 -1.03 0.00 0.00 54.13 52.77 3kwh s LEU 276 Cb 0.13 -1.17 -0.02 0.00 0.03 0.00 0.00 46.19 45.16 3kwh s LEU 276 CO 0.01 0.15 -0.22 -0.55 0.23 0.00 0.00 176.35 175.98 3kwh s SER 277 N -2.19 2.57 0.34 2.29 0.15 -1.26 -5.04 113.70 110.56 3kwh s SER 277 Ca 0.15 -0.40 0.09 0.00 0.70 0.00 0.00 55.95 56.49 3kwh s SER 277 Cb -0.09 -0.31 0.80 0.00 -1.71 0.00 0.00 66.02 64.71 3kwh s SER 277 CO 0.07 0.27 1.84 0.28 1.20 0.00 0.00 173.24 176.90 3kwh h SER 278 N 5.63 0.68 0.00 5.45 0.02 -2.00 -3.26 113.55 120.07 3kwh h SER 278 Ca -0.40 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.59 3kwh h SER 278 Cb 1.14 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.59 3kwh h SER 278 CO 0.48 0.32 -1.08 0.52 -1.14 0.00 0.00 176.83 175.92 3kwh n VAL 279 N -4.60 0.07 -2.71 2.27 0.31 -1.26 -5.02 118.33 107.39 3kwh n VAL 279 Ca 0.19 -0.05 -0.42 0.00 -0.01 0.00 0.00 64.34 64.05 3kwh n VAL 279 Cb 0.51 -0.69 -0.03 0.00 -0.91 0.00 0.00 33.84 32.72 3kwh n VAL 279 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3kwh s THR 280 N -2.04 4.84 0.33 2.52 2.01 -1.23 -5.01 115.64 117.06 3kwh s THR 280 Ca -0.01 2.06 -0.29 0.00 0.31 0.00 0.00 61.69 63.76 3kwh s THR 280 Cb 0.00 -4.32 -0.12 0.00 0.01 0.00 0.00 72.50 68.08 3kwh s THR 280 CO 0.05 0.17 1.39 0.59 -0.69 0.00 0.00 174.62 176.14 3kwh n ASN 281 N 3.81 3.16 -4.78 3.53 3.02 -1.26 -4.13 115.26 118.60 3kwh n ASN 281 Ca 0.06 1.20 -0.37 0.00 -0.03 0.00 0.00 54.58 55.43 3kwh n ASN 281 Cb 0.51 -1.53 -0.03 0.00 -0.61 0.00 0.00 39.78 38.12 3kwh n ASN 281 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kwh s ALA 282 N -0.84 3.10 -0.16 5.41 0.00 -1.26 -4.95 121.76 123.06 3kwh s ALA 282 Ca 0.57 0.79 -0.15 0.00 0.00 0.00 0.00 51.96 53.17 3kwh s ALA 282 Cb -0.55 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.22 3kwh s ALA 282 CO 0.59 -0.32 0.34 0.99 0.00 0.00 0.00 175.76 177.36 3kwh s THR 283 N -1.57 5.27 -0.19 0.00 2.01 -1.26 -5.02 115.64 114.88 3kwh s THR 283 Ca 0.58 0.64 -0.04 0.00 0.31 0.00 0.00 61.69 63.17 3kwh s THR 283 Cb -0.25 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 3kwh s THR 283 CO 0.31 0.36 -0.02 -0.44 -0.69 0.00 0.00 174.62 174.14 3kwh s SER 284 N 0.58 4.67 -0.09 3.53 0.01 -1.26 -4.44 113.70 116.69 3kwh s SER 284 Ca 0.18 -0.24 -0.13 0.00 1.31 0.00 0.00 55.95 57.08 3kwh s SER 284 Cb -0.14 -1.79 -0.05 0.00 0.21 0.00 0.00 66.02 64.26 3kwh s SER 284 CO 0.05 0.07 0.31 -0.63 0.41 0.00 0.00 173.24 173.46 3kwh s ILE 285 N 0.97 5.24 -0.10 1.44 1.09 -0.39 -4.87 121.20 124.58 3kwh s ILE 285 Ca 0.01 0.61 -0.09 0.00 -1.10 0.00 0.00 60.65 60.07 3kwh s ILE 285 Cb -0.14 -3.63 -0.04 0.00 -1.06 0.00 0.00 42.46 37.59 3kwh s ILE 285 CO 0.01 0.50 0.20 -1.58 -0.10 0.00 0.00 174.94 173.97 3kwh s GLN 286 N -0.36 3.63 -0.13 2.79 0.74 -1.26 0.36 119.66 125.43 3kwh s GLN 286 Ca 0.19 -0.01 -0.01 0.00 0.05 0.00 0.00 55.36 55.58 3kwh s GLN 286 Cb -0.14 -3.22 -0.02 0.00 1.10 0.00 0.00 33.01 30.73 3kwh s GLN 286 CO 0.08 0.71 -0.10 0.42 -0.55 0.00 0.00 175.29 175.84 3kwh s ILE 287 N -0.88 3.34 0.09 -2.34 1.01 -0.49 -4.91 121.20 117.01 3kwh s ILE 287 Ca 0.16 -0.57 -0.07 0.00 0.00 0.00 0.00 60.65 60.17 3kwh s ILE 287 Cb -0.13 -2.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.88 3kwh s ILE 287 CO 0.06 0.53 0.36 -0.89 0.00 0.00 0.00 174.94 175.00 3kwh s THR 288 N 0.18 5.16 0.62 2.92 2.01 -1.26 -4.14 115.64 121.14 3kwh s THR 288 Ca -0.06 0.23 -0.17 0.00 0.31 0.00 0.00 61.69 62.01 3kwh s THR 288 Cb -0.15 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 3kwh s THR 288 CO 0.04 0.21 1.15 0.00 -0.69 0.00 0.00 174.62 175.33 3kwh s ALA 289 N -1.48 2.50 0.38 7.40 0.00 -1.26 -4.96 121.76 124.34 3kwh s ALA 289 Ca 0.35 0.77 -0.28 0.00 0.00 0.00 0.00 51.96 52.80 3kwh s ALA 289 Cb -0.13 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.51 3kwh s ALA 289 CO 0.20 -1.20 1.46 -2.14 0.00 0.00 0.00 175.76 174.08 3kwh s PRO 290 N -3.69 4.06 0.45 0.00 0.02 -1.26 -4.69 135.00 129.89 3kwh s PRO 290 Ca 0.72 2.51 0.31 0.00 0.02 0.00 0.00 61.00 64.56 3kwh s PRO 290 Cb -0.25 -2.93 1.44 0.00 0.02 0.00 0.00 34.50 32.79 3kwh s PRO 290 CO 0.36 -0.55 1.63 0.00 -0.33 0.00 0.00 177.00 178.12 3kwh h ALA 291 N 2.92 2.81 0.00 -1.55 0.00 -1.98 0.42 119.26 121.88 3kwh h ALA 291 Ca -0.51 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3kwh h ALA 291 Cb 1.24 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3kwh h ALA 291 CO 0.64 -1.42 0.00 -1.13 0.00 0.00 0.00 179.25 177.34 3kwh n SER 292 N -4.62 0.00 -0.07 0.00 3.41 -1.26 -2.66 113.62 108.42 3kwh n SER 292 Ca 0.37 0.10 -0.09 0.00 -0.26 0.00 0.00 58.87 58.98 3kwh n SER 292 Cb 1.45 -0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 65.02 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 -1.30 0.68 0.13 4.33 2.00 0.14 -4.55 117.12 118.55 3kwh n MET 293 Ca 0.07 0.07 0.09 0.00 0.00 0.00 0.00 57.70 57.93 3kwh n MET 293 Cb 0.13 -1.30 0.48 0.00 0.00 0.00 0.00 33.22 32.53 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 -2.84 0.46 0.27 4.03 4.77 -1.05 -1.57 117.00 121.08 3kwh n LEU 294 Ca -0.25 0.71 0.12 0.00 -0.03 0.00 0.00 56.01 56.56 3kwh n LEU 294 Cb 0.80 -0.76 0.77 0.00 -2.33 0.00 0.00 43.42 41.89 3kwh n LEU 294 CO 0.17 -0.85 1.07 -0.29 -1.33 0.00 0.00 177.39 176.16 3kwh h ILE 295 N 0.00 0.75 -1.06 -0.08 2.10 -1.74 -3.46 117.51 114.01 3kwh h ILE 295 Ca 0.00 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.82 3kwh h ILE 295 Cb 0.02 1.07 0.00 0.00 -1.09 0.00 0.00 36.82 36.82 3kwh h ILE 295 CO 0.00 0.03 0.00 0.61 -1.08 0.00 0.00 178.15 177.71 3kwh n GLY 296 N -1.30 3.48 3.74 8.18 0.00 -0.61 -5.15 105.19 113.53 3kwh n GLY 296 Ca -0.03 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 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 1.60 7.00 0.29 1.61 1.01 -1.26 -4.95 116.67 121.97 3kwh s ASP 297 Ca 0.00 2.30 -0.10 0.00 0.71 0.00 0.00 52.55 55.45 3kwh s ASP 297 Cb 0.00 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.33 3kwh s ASP 297 CO 0.00 -0.45 0.51 -1.38 0.21 0.00 0.00 175.17 174.07 3kwh s HIS 298 N 0.08 0.53 0.07 4.23 -3.43 -1.26 -0.48 115.29 115.03 3kwh s HIS 298 Ca 0.55 -0.89 0.05 0.00 -0.80 0.00 0.00 55.06 53.96 3kwh s HIS 298 Cb -0.34 0.19 -0.03 0.00 -1.43 0.00 0.00 32.58 30.96 3kwh s HIS 298 CO 0.37 -1.10 -0.13 0.71 -2.00 0.00 0.00 174.74 172.59 3kwh s TYR 299 N -3.56 1.13 0.07 0.38 2.02 0.18 -4.83 117.35 112.74 3kwh s TYR 299 Ca 0.24 -0.49 -0.28 0.00 -0.37 0.00 0.00 57.07 56.16 3kwh s TYR 299 Cb -0.01 -0.63 -0.05 0.00 -0.40 0.00 0.00 41.96 40.86 3kwh s TYR 299 CO 0.12 0.03 0.90 -1.17 -1.57 0.00 0.00 175.55 173.87 3kwh s LEU 300 N -1.83 4.46 -0.01 -1.29 0.20 -1.26 -0.14 118.68 118.81 3kwh s LEU 300 Ca -0.02 1.66 0.03 0.00 0.69 0.00 0.00 54.13 56.50 3kwh s LEU 300 Cb -0.09 -3.47 -0.05 0.00 -0.43 0.00 0.00 46.19 42.15 3kwh s LEU 300 CO 0.02 -0.07 0.05 0.00 -0.29 0.00 0.00 176.35 176.05 3kwh s ASP 302 N -2.76 -0.68 -0.05 0.00 -1.08 -1.08 -4.85 116.67 106.18 3kwh s ASP 302 Ca -0.01 1.08 0.02 0.00 -0.52 0.00 0.00 52.55 53.13 3kwh s ASP 302 Cb 0.02 1.02 0.01 0.00 -1.46 0.00 0.00 42.92 42.51 3kwh s ASP 302 CO 0.13 -0.39 -0.11 -0.69 0.52 0.00 0.00 175.17 174.63 3kwh s VAL 303 N -0.31 1.02 -0.26 1.11 1.01 -1.26 -1.93 120.40 119.78 3kwh s VAL 303 Ca -0.04 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 3kwh s VAL 303 Cb -0.03 -0.92 0.14 0.00 0.00 0.00 0.00 36.38 35.57 3kwh s VAL 303 CO 0.04 0.32 0.50 -0.89 0.00 0.00 0.00 175.10 175.07 3kwh s THR 304 N 0.48 -0.79 0.22 3.92 2.01 -0.63 -5.01 115.64 115.84 3kwh s THR 304 Ca -0.10 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.62 3kwh s THR 304 Cb -0.13 -0.86 -0.09 0.00 0.01 0.00 0.00 72.50 71.43 3kwh s THR 304 CO 0.02 -0.02 1.28 0.26 -0.69 0.00 0.00 174.62 175.47 3kwh s TRP 305 N 2.71 3.27 -0.25 4.92 0.52 -1.26 -0.76 118.94 128.09 3kwh s TRP 305 Ca 0.09 1.29 -0.14 0.00 0.02 0.00 0.00 56.10 57.35 3kwh s TRP 305 Cb -0.14 -3.57 -0.15 0.00 -1.15 0.00 0.00 33.47 28.46 3kwh s TRP 305 CO -0.17 -1.72 -0.16 0.00 0.02 0.00 0.00 176.95 174.92 3kwh n ALA 306 N 2.34 1.09 -4.24 0.98 0.00 -0.48 -4.88 120.51 115.32 3kwh n ALA 306 Ca 0.05 -0.91 -0.22 0.00 0.00 0.00 0.00 53.44 52.36 3kwh n ALA 306 Cb 0.43 -0.11 -0.07 0.00 0.00 0.00 0.00 19.45 19.70 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 -4.19 0.00 0.25 0.00 -2.24 -1.11 -4.54 114.28 102.44 3kwh n THR 307 Ca -0.47 -2.35 0.15 0.00 -2.27 0.00 0.00 64.05 59.11 3kwh n THR 307 Cb 0.85 1.22 0.75 0.00 -2.10 0.00 0.00 70.33 71.05 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 -1.97 -2.83 115.11 110.61 3kwh h GLN 308 Ca -0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 3kwh h GLN 308 Cb 1.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 3kwh h GLN 308 CO 0.36 0.00 0.00 0.39 -0.95 0.00 0.00 178.83 178.63 3kwh n GLU 309 N -2.52 1.65 -4.15 1.46 1.02 -1.26 -4.93 120.64 111.91 3kwh n GLU 309 Ca -0.01 -1.07 -0.18 0.00 -0.02 0.00 0.00 57.16 55.88 3kwh n GLU 309 Cb 0.08 -0.86 -0.16 0.00 -0.02 0.00 0.00 31.44 30.49 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 -0.59 0.61 0.03 3.49 3.52 -1.07 0.82 118.95 125.75 3kwh s ARG 310 Ca 0.00 -0.13 0.07 0.00 -0.13 0.00 0.00 55.73 55.55 3kwh s ARG 310 Cb 0.00 -0.63 -0.02 0.00 -1.56 0.00 0.00 34.95 32.74 3kwh s ARG 310 CO 0.00 0.00 -0.22 0.42 -0.81 0.00 0.00 175.30 174.69 3kwh s ILE 311 N 0.47 1.76 -0.19 4.11 1.01 0.12 -1.39 121.20 127.10 3kwh s ILE 311 Ca -0.06 -1.15 -0.05 0.00 0.00 0.00 0.00 60.65 59.40 3kwh s ILE 311 Cb -0.09 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 3kwh s ILE 311 CO -0.00 0.32 -0.01 -0.55 0.00 0.00 0.00 174.94 174.70 3kwh s SER 312 N -0.99 4.87 -0.10 3.58 0.15 0.06 -0.73 113.70 120.55 3kwh s SER 312 Ca 0.08 -0.16 0.04 0.00 0.70 0.00 0.00 55.95 56.61 3kwh s SER 312 Cb -0.09 -1.82 0.00 0.00 -1.71 0.00 0.00 66.02 62.40 3kwh s SER 312 CO 0.01 0.10 -0.24 -0.76 1.20 0.00 0.00 173.24 173.56 3kwh s LEU 313 N 0.76 2.10 -0.15 3.45 1.43 0.50 -1.60 118.68 125.18 3kwh s LEU 313 Ca -0.00 -0.56 -0.04 0.00 -1.03 0.00 0.00 54.13 52.50 3kwh s LEU 313 Cb -0.14 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 3kwh s LEU 313 CO 0.02 0.16 -0.02 -1.58 0.23 0.00 0.00 176.35 175.16 3kwh s GLN 314 N 0.37 3.64 0.11 1.70 0.74 -0.81 0.19 119.66 125.59 3kwh s GLN 314 Ca -0.18 -0.48 0.09 0.00 0.05 0.00 0.00 55.36 54.84 3kwh s GLN 314 Cb -0.18 -2.95 -0.04 0.00 1.10 0.00 0.00 33.01 30.95 3kwh s GLN 314 CO 0.08 0.31 -0.22 -1.58 -0.55 0.00 0.00 175.29 173.33 3kwh s TRP 315 N 0.20 1.90 -0.02 1.67 0.52 -0.28 -0.42 118.94 122.51 3kwh s TRP 315 Ca -0.01 -0.41 0.00 0.00 0.02 0.00 0.00 56.10 55.70 3kwh s TRP 315 Cb -0.13 -1.04 0.02 0.00 -1.15 0.00 0.00 33.47 31.17 3kwh s TRP 315 CO 0.02 0.24 0.02 -1.17 0.02 0.00 0.00 176.95 176.08 3kwh s LEU 316 N -1.95 1.22 0.51 2.99 2.96 0.80 -1.59 118.68 123.63 3kwh s LEU 316 Ca 0.08 0.02 -0.21 0.00 -0.22 0.00 0.00 54.13 53.80 3kwh s LEU 316 Cb -0.10 -0.09 -0.06 0.00 0.50 0.00 0.00 46.19 46.44 3kwh s LEU 316 CO 0.05 -0.11 1.16 -0.13 -1.32 0.00 0.00 176.35 176.00 3kwh s ARG 317 N 0.91 3.50 0.34 1.98 0.52 -0.91 0.50 118.95 125.79 3kwh s ARG 317 Ca -0.08 1.73 0.07 0.00 -0.52 0.00 0.00 55.73 56.93 3kwh s ARG 317 Cb -0.11 -2.19 0.76 0.00 0.52 0.00 0.00 34.95 33.92 3kwh s ARG 317 CO -0.02 -0.76 1.87 -0.09 0.02 0.00 0.00 175.30 176.32 3kwh h ARG 318 N 1.57 0.74 -6.42 3.54 2.43 -1.10 -2.80 114.38 112.34 3kwh h ARG 318 Ca -0.50 -0.04 -0.57 0.00 -0.81 0.00 0.00 59.98 58.06 3kwh h ARG 318 Cb 1.26 -0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 30.56 3kwh h ARG 318 CO 0.58 0.49 0.87 0.42 -1.51 0.00 0.00 179.97 180.82 3kwh s ILE 319 N -5.74 4.13 0.00 1.20 1.01 -1.26 -4.84 121.20 115.70 3kwh s ILE 319 Ca -0.10 0.80 -0.03 0.00 0.00 0.00 0.00 60.65 61.31 3kwh s ILE 319 Cb 0.22 -4.67 -0.15 0.00 0.01 0.00 0.00 42.46 37.87 3kwh s ILE 319 CO 0.79 -1.25 2.63 0.00 0.00 0.00 0.00 174.94 177.11 3kwh n GLN 320 N 8.13 1.39 -0.01 2.79 6.02 -1.06 -3.93 117.38 130.71 3kwh n GLN 320 Ca 0.07 -0.57 0.11 0.00 -0.01 0.00 0.00 57.00 56.60 3kwh n GLN 320 Cb 0.49 -1.66 -0.15 0.00 1.02 0.00 0.00 30.24 29.93 3kwh n GLN 320 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kwh n ASN 321 N 2.29 0.41 -3.71 1.08 4.13 -1.26 -2.58 115.26 115.62 3kwh n ASN 321 Ca 0.25 -0.40 -0.11 0.00 1.68 0.00 0.00 54.58 56.00 3kwh n ASN 321 Cb 0.65 1.60 -0.12 0.00 -1.54 0.00 0.00 39.78 40.37 3kwh n ASN 321 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3kwh s TYR 322 N -3.31 -0.49 0.03 3.10 5.04 -1.25 -2.62 117.35 117.85 3kwh s TYR 322 Ca -0.02 1.08 -0.01 0.00 -2.44 0.00 0.00 57.07 55.68 3kwh s TYR 322 Cb 0.15 0.17 -0.03 0.00 0.35 0.00 0.00 41.96 42.60 3kwh s TYR 322 CO 0.89 -0.31 -0.02 -1.54 -1.34 0.00 0.00 175.55 173.24 3kwh s SER 323 N 1.45 0.32 -0.04 4.32 1.04 -0.99 -2.13 113.70 117.66 3kwh s SER 323 Ca -0.09 -0.67 0.01 0.00 0.48 0.00 0.00 55.95 55.69 3kwh s SER 323 Cb -0.10 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.19 3kwh s SER 323 CO -0.11 -0.42 -0.04 -0.69 0.98 0.00 0.00 173.24 172.96 3kwh s VAL 324 N -2.38 0.49 -0.15 5.02 1.01 -0.62 -2.21 120.40 121.56 3kwh s VAL 324 Ca -0.07 -0.11 -0.16 0.00 0.00 0.00 0.00 61.98 61.64 3kwh s VAL 324 Cb -0.03 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 3kwh s VAL 324 CO -0.04 0.21 0.38 -0.32 0.00 0.00 0.00 175.10 175.33 3kwh s MET 325 N 0.88 4.29 -0.13 2.72 1.75 0.10 -1.13 119.30 127.78 3kwh s MET 325 Ca -0.11 0.25 -0.02 0.00 -1.25 0.00 0.00 55.69 54.56 3kwh s MET 325 Cb -0.14 -3.44 -0.02 0.00 2.84 0.00 0.00 34.83 34.06 3kwh s MET 325 CO 0.00 0.18 -0.07 0.34 -0.65 0.00 0.00 175.02 174.82 3kwh s ASP 326 N 0.59 4.53 -0.26 1.11 -1.08 0.50 -1.74 116.67 120.31 3kwh s ASP 326 Ca 0.21 -0.17 -0.05 0.00 -0.52 0.00 0.00 52.55 52.02 3kwh s ASP 326 Cb -0.14 -1.61 0.01 0.00 -1.46 0.00 0.00 42.92 39.71 3kwh s ASP 326 CO 0.07 0.20 0.01 -0.63 0.52 0.00 0.00 175.17 175.34 3kwh s ILE 327 N 0.14 3.54 -0.10 4.11 1.01 -1.26 -0.37 121.20 128.27 3kwh s ILE 327 Ca -0.03 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 59.95 3kwh s ILE 327 Cb -0.14 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.57 3kwh s ILE 327 CO 0.03 0.21 -0.22 0.00 0.00 0.00 0.00 174.94 174.96 3kwh s ASP 329 N 0.42 4.33 0.23 0.00 1.01 -1.02 0.15 116.67 121.80 3kwh s ASP 329 Ca -0.17 -0.21 -0.30 0.00 0.71 0.00 0.00 52.55 52.58 3kwh s ASP 329 Cb -0.18 -0.93 -0.09 0.00 1.01 0.00 0.00 42.92 42.73 3kwh s ASP 329 CO 0.07 0.29 1.01 -0.47 0.21 0.00 0.00 175.17 176.28 3kwh s TYR 330 N -0.92 3.81 -0.37 4.23 5.04 0.24 -2.52 117.35 126.87 3kwh s TYR 330 Ca 0.15 1.81 -0.10 0.00 -2.44 0.00 0.00 57.07 56.49 3kwh s TYR 330 Cb -0.11 -3.11 0.03 0.00 0.35 0.00 0.00 41.96 39.12 3kwh s TYR 330 CO 0.05 0.02 0.19 0.34 -1.34 0.00 0.00 175.55 174.81 3kwh s ASP 331 N -0.84 5.66 0.23 4.32 -1.08 -0.13 -4.97 116.67 119.86 3kwh s ASP 331 Ca 0.44 -1.02 -0.14 0.00 -0.52 0.00 0.00 52.55 51.31 3kwh s ASP 331 Cb -0.28 -2.00 0.28 0.00 -1.46 0.00 0.00 42.92 39.47 3kwh s ASP 331 CO 0.35 -0.38 1.59 1.05 0.52 0.00 0.00 175.17 178.30 3kwh h GLU 332 N 8.40 -0.03 0.00 4.34 4.11 -1.96 0.45 114.58 129.88 3kwh h GLU 332 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.18 3kwh h GLU 332 Cb 1.10 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3kwh h GLU 332 CO 0.66 -0.02 0.00 0.43 0.07 0.00 0.00 179.01 180.14 3kwh n SER 333 N -5.49 0.00 0.22 3.06 7.64 -1.26 -3.91 113.62 113.88 3kwh n SER 333 Ca 0.10 0.74 0.05 0.00 1.01 0.00 0.00 58.87 60.77 3kwh n SER 333 Cb 0.39 -0.26 0.49 0.00 -1.01 0.00 0.00 64.21 63.82 3kwh n SER 333 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 3kwh h SER 334 N 0.00 0.00 -0.01 6.43 0.87 -1.98 -3.46 113.55 115.40 3kwh h SER 334 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3kwh h SER 334 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3kwh h SER 334 CO 0.00 0.23 -0.00 0.61 -0.53 0.00 0.00 176.83 177.14 3kwh n GLY 335 N -0.80 0.45 2.28 5.77 0.00 0.14 -5.04 105.19 107.99 3kwh n GLY 335 Ca -0.02 -0.54 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.98 1.21 -4.18 1.61 1.74 -1.25 -4.88 116.66 107.93 3kwh n ARG 336 Ca -0.00 -2.30 -0.32 0.00 -0.77 0.00 0.00 57.85 54.46 3kwh n ARG 336 Cb 0.01 0.59 -0.16 0.00 -1.02 0.00 0.00 32.46 31.87 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 -2.11 2.66 -0.15 -1.55 0.52 -1.26 -0.96 118.94 116.10 3kwh s TRP 337 Ca 0.02 -1.54 -0.03 0.00 0.02 0.00 0.00 56.10 54.57 3kwh s TRP 337 Cb -0.00 -1.85 -0.03 0.00 -1.15 0.00 0.00 33.47 30.44 3kwh s TRP 337 CO 0.01 -0.76 -0.05 -0.80 0.02 0.00 0.00 176.95 175.38 3kwh s ASN 338 N 1.25 4.74 -0.55 2.95 0.01 -1.05 -4.92 114.94 117.37 3kwh s ASN 338 Ca 0.03 -0.13 -0.02 0.00 -0.71 0.00 0.00 52.86 52.04 3kwh s ASN 338 Cb -0.13 -1.72 0.14 0.00 0.41 0.00 0.00 41.25 39.95 3kwh s ASN 338 CO -0.11 0.19 0.35 0.00 -1.51 0.00 0.00 177.10 176.02 3kwh n LEU 340 N 3.70 3.97 -0.28 0.00 4.32 -1.26 -4.88 117.00 122.57 3kwh n LEU 340 Ca 0.05 0.93 0.03 0.00 -0.02 0.00 0.00 56.01 56.99 3kwh n LEU 340 Cb 0.38 -1.49 0.16 0.00 -1.62 0.00 0.00 43.42 40.85 3kwh n LEU 340 CO 0.33 0.13 1.12 0.58 -1.22 0.00 0.00 177.39 178.34 3kwh h VAL 341 N 5.50 0.89 0.00 4.08 2.07 -1.97 -0.41 116.25 126.41 3kwh h VAL 341 Ca -0.49 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3kwh h VAL 341 Cb 1.25 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3kwh h VAL 341 CO 0.94 0.14 0.00 0.00 0.02 0.00 0.00 177.57 178.67 3kwh h ALA 342 N 1.45 1.00 -0.59 1.67 0.00 -2.01 -1.35 119.26 119.43 3kwh h ALA 342 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3kwh h ALA 342 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kwh h ALA 342 CO -0.25 0.00 0.00 -2.13 0.00 0.00 0.00 179.25 176.87 3kwh n ARG 343 N -2.38 3.62 -2.55 0.00 0.63 -0.17 -4.94 116.66 110.87 3kwh n ARG 343 Ca 0.00 -2.83 -0.33 0.00 -0.92 0.00 0.00 57.85 53.78 3kwh n ARG 343 Cb 0.15 -1.84 -0.05 0.00 0.45 0.00 0.00 32.46 31.17 3kwh n ARG 343 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3kwh s GLN 344 N -1.87 4.02 -0.11 -0.14 -0.21 -0.51 -4.52 119.66 116.32 3kwh s GLN 344 Ca 0.48 1.05 0.03 0.00 0.02 0.00 0.00 55.36 56.93 3kwh s GLN 344 Cb 0.32 -2.15 -0.00 0.00 1.00 0.00 0.00 33.01 32.18 3kwh s GLN 344 CO 0.23 -0.21 -0.20 -1.01 -2.12 0.00 0.00 175.29 171.97 3kwh s HIS 345 N -2.42 2.65 -0.09 0.91 3.76 -0.71 -4.95 115.29 114.43 3kwh s HIS 345 Ca 0.61 -0.96 -0.00 0.00 -0.15 0.00 0.00 55.06 54.56 3kwh s HIS 345 Cb -0.10 -1.76 -0.03 0.00 1.11 0.00 0.00 32.58 31.80 3kwh s HIS 345 CO 0.24 -0.38 -0.07 0.42 -0.85 0.00 0.00 174.74 174.11 3kwh s ILE 346 N 0.40 3.69 -0.10 0.60 1.01 -1.26 0.02 121.20 125.57 3kwh s ILE 346 Ca -0.15 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.04 3kwh s ILE 346 Cb -0.17 -2.53 0.02 0.00 0.01 0.00 0.00 42.46 39.78 3kwh s ILE 346 CO 0.07 0.57 -0.13 -1.61 0.00 0.00 0.00 174.94 173.84 3kwh s GLU 347 N -0.49 1.94 0.28 2.79 2.02 -0.94 -5.03 118.70 119.26 3kwh s GLU 347 Ca 0.07 -0.46 0.09 0.00 0.02 0.00 0.00 54.97 54.70 3kwh s GLU 347 Cb -0.12 -1.71 -0.05 0.00 0.10 0.00 0.00 34.13 32.35 3kwh s GLU 347 CO 0.02 -0.09 -0.13 -1.64 0.02 0.00 0.00 175.26 173.44 3kwh s MET 348 N 1.08 1.61 -0.04 1.61 -1.94 -1.26 -2.34 119.30 118.02 3kwh s MET 348 Ca -0.06 -1.77 0.01 0.00 -1.71 0.00 0.00 55.69 52.16 3kwh s MET 348 Cb -0.15 -1.48 0.02 0.00 2.01 0.00 0.00 34.83 35.23 3kwh s MET 348 CO -0.02 0.19 -0.04 0.45 -0.01 0.00 0.00 175.02 175.59 3kwh s SER 349 N -3.48 0.87 -0.15 3.03 0.15 -1.08 -5.00 113.70 108.04 3kwh s SER 349 Ca 0.29 -0.12 0.18 0.00 0.70 0.00 0.00 55.95 57.00 3kwh s SER 349 Cb -0.00 -0.39 -0.25 0.00 -1.71 0.00 0.00 66.02 63.66 3kwh s SER 349 CO 0.13 -0.04 0.22 0.41 1.20 0.00 0.00 173.24 175.16 3kwh n THR 350 N 3.90 1.25 0.12 6.45 -1.04 -1.26 -4.47 114.28 119.23 3kwh n THR 350 Ca -0.24 -0.80 0.07 0.00 -2.04 0.00 0.00 64.05 61.04 3kwh n THR 350 Cb 0.52 -0.49 0.03 0.00 -1.82 0.00 0.00 70.33 68.57 3kwh n THR 350 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3kwh h THR 351 N 0.00 0.26 0.00 12.58 2.02 -2.00 -3.50 112.91 122.28 3kwh h THR 351 Ca -0.44 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 65.30 3kwh h THR 351 Cb 2.05 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 70.37 3kwh h THR 351 CO 0.03 0.15 0.00 0.61 0.37 0.00 0.00 175.52 176.68 3kwh n GLY 352 N 1.22 0.68 3.75 2.16 0.00 -1.26 -4.89 105.19 106.84 3kwh n GLY 352 Ca -0.01 0.42 -0.24 0.00 0.00 0.00 0.00 46.02 46.20 3kwh n GLY 352 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3kwh s TRP 353 N 2.41 2.62 -0.15 1.61 -2.14 -1.26 -4.74 118.94 117.30 3kwh s TRP 353 Ca 0.00 -0.55 -0.17 0.00 2.66 0.00 0.00 56.10 58.03 3kwh s TRP 353 Cb 0.00 -1.93 -0.04 0.00 -3.10 0.00 0.00 33.47 28.40 3kwh s TRP 353 CO 0.00 0.18 0.45 0.08 -2.66 0.00 0.00 176.95 175.01 3kwh s VAL 354 N -2.57 5.19 0.04 -0.66 1.01 -1.07 -4.90 120.40 117.45 3kwh s VAL 354 Ca 0.41 0.87 0.00 0.00 0.00 0.00 0.00 61.98 63.26 3kwh s VAL 354 Cb 0.02 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.62 3kwh s VAL 354 CO 0.23 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.24 3kwh n GLY 355 N 3.48 -1.70 0.17 4.51 0.00 -1.26 -3.44 105.19 106.95 3kwh n GLY 355 Ca -0.07 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 3kwh n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kwh h ARG 356 N -0.13 -0.32 0.00 1.61 3.08 -1.94 -3.39 114.38 113.28 3kwh h ARG 356 Ca -0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3kwh h ARG 356 Cb 0.13 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3kwh h ARG 356 CO 0.00 0.03 0.00 1.19 -1.07 0.00 0.00 179.97 180.12 3kwh n PHE 357 N -5.01 0.00 -3.64 3.04 3.72 -1.26 -4.90 117.46 109.41 3kwh n PHE 357 Ca -0.08 -0.01 -0.02 0.00 -0.05 0.00 0.00 57.45 57.29 3kwh n PHE 357 Cb 0.25 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.76 3kwh n PHE 357 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3kwh s ARG 358 N -0.03 0.05 0.21 -1.08 3.52 -1.26 -4.96 118.95 115.41 3kwh s ARG 358 Ca 0.00 -0.00 -0.32 0.00 -0.13 0.00 0.00 55.73 55.28 3kwh s ARG 358 Cb 0.00 0.02 -0.14 0.00 -1.56 0.00 0.00 34.95 33.28 3kwh s ARG 358 CO 0.00 -0.02 1.40 -2.30 -0.81 0.00 0.00 175.30 173.57 3kwh n PRO 359 N 0.33 1.89 -0.98 5.12 -0.02 -1.22 -4.07 135.00 136.05 3kwh n PRO 359 Ca 0.02 0.68 -0.31 0.00 -2.02 0.00 0.00 63.50 61.86 3kwh n PRO 359 Cb 0.58 -2.33 0.13 0.00 -0.02 0.00 0.00 33.50 31.86 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 0.37 3.60 0.25 2.55 1.04 -1.26 -4.97 113.70 115.28 3kwh s SER 360 Ca 0.72 2.10 -0.30 0.00 0.48 0.00 0.00 55.95 58.94 3kwh s SER 360 Cb -0.70 -2.56 -0.09 0.00 0.10 0.00 0.00 66.02 62.78 3kwh s SER 360 CO 0.48 -2.65 0.98 -0.70 0.98 0.00 0.00 173.24 172.33 3kwh s GLU 361 N -4.62 4.79 -0.13 4.02 2.12 -1.26 -4.91 118.70 118.71 3kwh s GLU 361 Ca 0.66 1.57 -0.15 0.00 0.36 0.00 0.00 54.97 57.41 3kwh s GLU 361 Cb -0.22 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 3kwh s GLU 361 CO 0.55 0.43 0.34 -1.25 -0.54 0.00 0.00 175.26 174.80 3kwh s PRO 362 N -1.28 4.20 -0.33 4.30 0.04 -1.26 -4.38 135.00 136.30 3kwh s PRO 362 Ca 0.42 0.20 -0.07 0.00 0.04 0.00 0.00 61.00 61.59 3kwh s PRO 362 Cb -0.27 -3.40 0.03 0.00 0.04 0.00 0.00 34.50 30.90 3kwh s PRO 362 CO 0.34 0.29 0.10 -1.01 0.04 0.00 0.00 177.00 176.77 3kwh s HIS 363 N 0.27 3.22 0.07 0.56 3.76 0.15 -4.89 115.29 118.44 3kwh s HIS 363 Ca 0.19 -1.26 -0.24 0.00 -0.15 0.00 0.00 55.06 53.60 3kwh s HIS 363 Cb -0.14 -2.28 -0.06 0.00 1.11 0.00 0.00 32.58 31.21 3kwh s HIS 363 CO 0.06 -0.68 0.74 -0.06 -0.85 0.00 0.00 174.74 173.96 3kwh s PHE 364 N 1.44 3.78 0.87 1.40 0.40 -1.26 -0.47 117.98 124.15 3kwh s PHE 364 Ca -0.00 1.48 -0.11 0.00 -0.60 0.00 0.00 56.93 57.70 3kwh s PHE 364 Cb -0.19 -2.77 0.12 0.00 0.51 0.00 0.00 43.02 40.69 3kwh s PHE 364 CO 0.03 0.36 1.15 0.95 0.70 0.00 0.00 175.22 178.40 3kwh s THR 365 N -0.40 2.28 0.34 0.64 -4.23 -0.39 -4.88 115.64 109.00 3kwh s THR 365 Ca 0.37 0.10 0.12 0.00 -1.18 0.00 0.00 61.69 61.10 3kwh s THR 365 Cb -0.21 -2.25 0.34 0.00 1.34 0.00 0.00 72.50 71.72 3kwh s THR 365 CO 0.23 -0.11 1.74 0.25 -0.54 0.00 0.00 174.62 176.18 3kwh h LEU 366 N -1.59 0.61 0.00 4.79 5.85 -1.93 -0.37 115.31 122.66 3kwh h LEU 366 Ca -0.44 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3kwh h LEU 366 Cb 1.27 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.32 3kwh h LEU 366 CO 0.44 0.10 -0.08 -2.24 -0.34 0.00 0.00 178.44 176.31 3kwh h ASP 367 N 0.52 0.00 0.00 1.25 3.04 -1.90 -3.47 116.42 115.86 3kwh h ASP 367 Ca 0.63 -0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.42 3kwh h ASP 367 Cb 1.32 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.61 3kwh h ASP 367 CO -0.42 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.39 3kwh n GLY 368 N 1.11 0.75 0.05 7.15 0.00 -0.15 -4.86 105.19 109.24 3kwh n GLY 368 Ca 0.04 0.00 0.12 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 0.65 -3.99 1.61 3.02 -1.26 -4.94 115.26 110.36 3kwh n ASN 369 Ca 0.00 0.09 -0.10 0.00 -0.03 0.00 0.00 54.58 54.54 3kwh n ASN 369 Cb 0.00 0.14 -0.06 0.00 -0.61 0.00 0.00 39.78 39.25 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 -4.03 -0.04 0.14 6.41 1.04 -1.26 -1.48 113.70 114.49 3kwh s SER 370 Ca 0.07 -0.92 -0.25 0.00 0.48 0.00 0.00 55.95 55.33 3kwh s SER 370 Cb 0.14 0.51 0.07 0.00 0.10 0.00 0.00 66.02 66.84 3kwh s SER 370 CO 0.71 -1.02 0.80 0.72 0.98 0.00 0.00 173.24 175.43 3kwh s PHE 371 N -4.00 -0.30 0.05 5.02 -0.71 -0.78 -1.27 117.98 115.99 3kwh s PHE 371 Ca 0.21 0.02 0.09 0.00 -1.04 0.00 0.00 56.93 56.22 3kwh s PHE 371 Cb 0.01 0.61 -0.03 0.00 -1.21 0.00 0.00 43.02 42.41 3kwh s PHE 371 CO 0.05 -0.85 -0.25 0.71 -1.34 0.00 0.00 175.22 173.54 3kwh s TYR 372 N -3.50 2.18 -0.12 3.49 1.51 0.38 -1.59 117.35 119.70 3kwh s TYR 372 Ca 0.07 -0.40 -0.20 0.00 -1.01 0.00 0.00 57.07 55.53 3kwh s TYR 372 Cb -0.02 -1.30 0.05 0.00 -0.11 0.00 0.00 41.96 40.58 3kwh s TYR 372 CO -0.03 0.13 0.51 0.21 -1.11 0.00 0.00 175.55 175.25 3kwh s LYS 373 N -1.26 0.72 -0.04 -0.62 2.20 -0.86 0.32 119.74 120.20 3kwh s LYS 373 Ca 0.11 0.42 -0.25 0.00 -0.36 0.00 0.00 55.97 55.89 3kwh s LYS 373 Cb -0.10 0.34 -0.04 0.00 -1.51 0.00 0.00 37.83 36.53 3kwh s LYS 373 CO 0.02 -0.15 0.76 0.42 -0.36 0.00 0.00 175.35 176.04 3kwh s ILE 374 N -0.40 4.98 0.01 5.43 1.01 -1.26 -0.64 121.20 130.33 3kwh s ILE 374 Ca -0.05 1.58 -0.09 0.00 0.00 0.00 0.00 60.65 62.09 3kwh s ILE 374 Cb -0.03 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.34 3kwh s ILE 374 CO 0.03 0.25 0.17 -0.63 0.00 0.00 0.00 174.94 174.76 3kwh s ILE 375 N 0.74 0.09 0.08 2.92 1.01 -0.79 -4.61 121.20 120.64 3kwh s ILE 375 Ca 0.40 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 60.01 3kwh s ILE 375 Cb -0.19 -0.60 -0.06 0.00 0.01 0.00 0.00 42.46 41.63 3kwh s ILE 375 CO 0.20 -0.41 1.14 -0.55 0.00 0.00 0.00 174.94 175.33 3kwh s SER 376 N -1.59 7.17 0.90 3.58 0.15 -1.26 -1.85 113.70 120.80 3kwh s SER 376 Ca -0.12 1.98 -0.10 0.00 0.70 0.00 0.00 55.95 58.41 3kwh s SER 376 Cb -0.05 -2.58 0.19 0.00 -1.71 0.00 0.00 66.02 61.86 3kwh s SER 376 CO 0.00 -0.37 1.19 -0.46 1.20 0.00 0.00 173.24 174.80 3kwh n ASN 377 N 3.53 0.55 0.26 5.45 2.04 0.03 -4.86 115.26 122.26 3kwh n ASN 377 Ca 0.07 -1.71 0.09 0.00 -0.44 0.00 0.00 54.58 52.58 3kwh n ASN 377 Cb 0.47 -0.87 0.66 0.00 -2.53 0.00 0.00 39.78 37.51 3kwh n ASN 377 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 3kwh h GLU 378 N 0.00 0.00 0.00 -3.83 5.08 -1.96 0.15 114.58 114.02 3kwh h GLU 378 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3kwh h GLU 378 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3kwh h GLU 378 CO 0.32 0.04 0.00 0.39 -1.00 0.00 0.00 179.01 178.76 3kwh n GLU 379 N -4.36 0.37 -0.71 2.33 4.71 -1.26 -4.91 120.64 116.81 3kwh n GLU 379 Ca -0.03 0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 3kwh n GLU 379 Cb 0.12 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.05 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 1.12 0.65 3.79 0.62 0.00 0.52 -4.78 105.19 107.11 3kwh n GLY 380 Ca 0.13 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 3.50 -0.36 1.61 1.51 -1.26 -0.74 117.35 119.61 3kwh s TYR 381 Ca 0.00 0.44 -0.29 0.00 -1.01 0.00 0.00 57.07 56.21 3kwh s TYR 381 Cb 0.00 -2.08 0.01 0.00 -0.11 0.00 0.00 41.96 39.77 3kwh s TYR 381 CO 0.00 0.48 1.33 1.03 -1.11 0.00 0.00 175.55 177.28 3kwh s ARG 382 N -0.24 3.77 0.24 -0.62 0.52 -1.26 -0.79 118.95 120.57 3kwh s ARG 382 Ca 0.12 1.07 0.01 0.00 -0.52 0.00 0.00 55.73 56.41 3kwh s ARG 382 Cb -0.12 -3.94 -0.05 0.00 0.52 0.00 0.00 34.95 31.37 3kwh s ARG 382 CO 0.01 -1.31 0.08 -1.01 0.02 0.00 0.00 175.30 173.08 3kwh s HIS 383 N 4.79 1.48 -0.14 -0.53 3.76 -0.77 -1.02 115.29 122.85 3kwh s HIS 383 Ca 0.57 -1.15 -0.29 0.00 -0.15 0.00 0.00 55.06 54.04 3kwh s HIS 383 Cb -0.15 -0.86 -0.01 0.00 1.11 0.00 0.00 32.58 32.67 3kwh s HIS 383 CO 0.27 -0.31 1.09 0.42 -0.85 0.00 0.00 174.74 175.37 3kwh s ILE 384 N -3.73 4.57 -0.07 0.60 1.01 -1.26 -1.88 121.20 120.45 3kwh s ILE 384 Ca 0.35 1.87 0.03 0.00 0.00 0.00 0.00 60.65 62.90 3kwh s ILE 384 Cb 0.07 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 3kwh s ILE 384 CO 0.12 -0.07 -0.13 0.00 0.00 0.00 0.00 174.94 174.86 3kwh s TYR 386 N -0.58 3.38 -0.05 0.00 5.04 0.68 -2.03 117.35 123.79 3kwh s TYR 386 Ca 0.08 0.51 0.05 0.00 -2.44 0.00 0.00 57.07 55.28 3kwh s TYR 386 Cb -0.11 -2.42 -0.02 0.00 0.35 0.00 0.00 41.96 39.76 3kwh s TYR 386 CO 0.01 0.07 -0.22 -0.06 -1.34 0.00 0.00 175.55 174.01 3kwh s PHE 387 N 1.06 2.51 -0.04 4.97 0.40 -0.62 -0.67 117.98 125.59 3kwh s PHE 387 Ca 0.15 -0.52 0.02 0.00 -0.60 0.00 0.00 56.93 55.98 3kwh s PHE 387 Cb -0.14 -1.61 -0.03 0.00 0.51 0.00 0.00 43.02 41.75 3kwh s PHE 387 CO 0.06 -0.08 -0.07 -0.65 0.70 0.00 0.00 175.22 175.18 3kwh s GLN 388 N -0.34 2.68 0.34 0.44 -0.21 -1.26 -1.87 119.66 119.43 3kwh s GLN 388 Ca 0.02 -0.61 0.05 0.00 0.02 0.00 0.00 55.36 54.84 3kwh s GLN 388 Cb -0.12 -2.56 0.62 0.00 1.00 0.00 0.00 33.01 31.95 3kwh s GLN 388 CO 0.02 0.64 1.88 0.82 -2.12 0.00 0.00 175.29 176.54 3kwh h ILE 389 N 4.05 1.19 -0.35 1.08 2.04 -1.63 -2.48 117.51 121.41 3kwh h ILE 389 Ca -0.49 -0.76 -0.08 0.00 1.00 0.00 0.00 64.86 64.54 3kwh h ILE 389 Cb 1.17 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 38.14 3kwh h ILE 389 CO 0.53 0.26 0.02 0.47 0.00 0.00 0.00 178.15 179.43 3kwh n ASP 390 N -4.29 3.62 -4.47 1.72 8.00 -1.26 -4.79 116.55 115.08 3kwh n ASP 390 Ca 0.01 -3.25 -0.29 0.00 0.71 0.00 0.00 54.79 51.97 3kwh n ASP 390 Cb 0.24 -0.60 -0.12 0.00 -0.02 0.00 0.00 41.12 40.63 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 -2.97 1.71 -0.10 -1.24 -0.14 -0.93 -5.04 119.74 111.02 3kwh s LYS 391 Ca 0.44 -1.24 -0.04 0.00 -1.36 0.00 0.00 55.97 53.77 3kwh s LYS 391 Cb 0.37 -2.06 -0.01 0.00 -1.68 0.00 0.00 37.83 34.45 3kwh s LYS 391 CO 0.07 0.47 -0.08 1.57 -0.76 0.00 0.00 175.35 176.61 3kwh h LYS 392 N 3.67 0.00 0.00 1.68 2.10 -1.92 -3.42 116.57 118.68 3kwh h LYS 392 Ca -0.50 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 57.93 3kwh h LYS 392 Cb 1.17 0.00 0.09 0.00 -0.90 0.00 0.00 32.23 32.60 3kwh h LYS 392 CO 0.45 0.00 0.21 -0.25 -2.00 0.00 0.00 179.45 177.86 3kwh n ASP 393 N -4.34 -0.08 -4.30 7.07 8.00 -1.26 -4.99 116.55 116.66 3kwh n ASP 393 Ca -0.03 -1.22 -0.16 0.00 0.71 0.00 0.00 54.79 54.09 3kwh n ASP 393 Cb 0.12 -0.53 -0.10 0.00 -0.02 0.00 0.00 41.12 40.59 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 -3.78 2.70 0.01 0.00 2.01 0.16 -4.87 115.64 111.87 3kwh s THR 395 Ca 0.38 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 61.33 3kwh s THR 395 Cb 0.08 -2.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.38 3kwh s THR 395 CO 0.14 0.50 1.20 -0.36 -0.69 0.00 0.00 174.62 175.41 3kwh s PHE 396 N 0.99 3.30 -0.77 4.92 0.08 -1.26 -0.23 117.98 125.01 3kwh s PHE 396 Ca -0.02 1.25 0.12 0.00 0.12 0.00 0.00 56.93 58.40 3kwh s PHE 396 Cb -0.15 -3.42 -0.08 0.00 -0.57 0.00 0.00 43.02 38.80 3kwh s PHE 396 CO -0.03 -1.32 0.58 -0.89 -0.10 0.00 0.00 175.22 173.46 3kwh n ILE 397 N 4.26 0.00 -3.96 0.64 5.41 -0.73 -4.96 119.36 120.03 3kwh n ILE 397 Ca 0.10 -0.28 -0.10 0.00 1.00 0.00 0.00 62.75 63.47 3kwh n ILE 397 Cb 0.46 1.06 -0.12 0.00 -0.71 0.00 0.00 39.64 40.33 3kwh n ILE 397 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3kwh s THR 398 N -1.88 0.09 0.21 1.39 -4.23 -1.25 -4.90 115.64 105.07 3kwh s THR 398 Ca 0.07 -0.71 -0.19 0.00 -1.18 0.00 0.00 61.69 59.68 3kwh s THR 398 Cb 0.09 -0.21 0.03 0.00 1.34 0.00 0.00 72.50 73.76 3kwh s THR 398 CO 0.41 -0.39 0.58 -1.59 -0.54 0.00 0.00 174.62 173.09 3kwh s LYS 399 N -1.14 1.48 0.00 3.99 -2.85 -1.26 -4.55 119.74 115.41 3kwh s LYS 399 Ca -0.12 -0.86 0.00 0.00 -1.00 0.00 0.00 55.97 53.99 3kwh s LYS 399 Cb -0.08 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.24 3kwh s LYS 399 CO -0.01 -0.64 0.00 0.41 0.10 0.00 0.00 175.35 175.21 3kwh n GLY 400 N -0.38 1.06 2.09 0.59 0.00 -1.26 -4.89 105.19 102.40 3kwh n GLY 400 Ca -0.09 -2.25 -0.16 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.16 2.96 -3.65 2.61 -1.04 -1.26 -4.74 114.28 108.01 3kwh n THR 401 Ca 0.00 -1.87 -0.07 0.00 -2.04 0.00 0.00 64.05 60.07 3kwh n THR 401 Cb 0.00 -1.75 0.00 0.00 -1.82 0.00 0.00 70.33 66.76 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 1.67 -1.54 -3.92 -1.42 4.27 -1.26 -5.04 117.44 110.20 3kwh n TRP 402 Ca 0.39 -1.28 -0.10 0.00 -3.89 0.00 0.00 57.50 52.61 3kwh n TRP 402 Cb 0.72 0.48 -0.11 0.00 -1.36 0.00 0.00 31.31 31.05 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 -2.24 0.35 0.08 -2.67 2.02 -1.26 -4.53 118.70 110.45 3kwh s GLU 403 Ca 0.13 -0.45 -0.30 0.00 0.02 0.00 0.00 54.97 54.37 3kwh s GLU 403 Cb -0.02 0.14 -0.05 0.00 0.10 0.00 0.00 34.13 34.30 3kwh s GLU 403 CO 0.10 -0.07 1.04 0.08 0.02 0.00 0.00 175.26 176.42 3kwh s VAL 404 N -1.27 4.43 -0.13 2.63 1.01 -0.19 -2.46 120.40 124.41 3kwh s VAL 404 Ca -0.14 1.87 0.16 0.00 0.00 0.00 0.00 61.98 63.87 3kwh s VAL 404 Cb -0.08 -4.20 -0.24 0.00 0.00 0.00 0.00 36.38 31.86 3kwh s VAL 404 CO 0.00 0.22 0.34 -0.38 0.00 0.00 0.00 175.10 175.28 3kwh n ILE 405 N 3.30 1.49 -3.58 2.22 5.41 0.25 -4.80 119.36 123.65 3kwh n ILE 405 Ca 0.05 -0.83 -0.11 0.00 1.00 0.00 0.00 62.75 62.85 3kwh n ILE 405 Cb 0.49 -0.72 -0.06 0.00 -0.71 0.00 0.00 39.64 38.64 3kwh n ILE 405 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3kwh s GLY 406 N -5.32 -0.29 -0.22 7.39 0.00 -1.17 -4.99 107.32 102.72 3kwh s GLY 406 Ca -0.08 2.05 -0.18 0.00 0.00 0.00 0.00 44.72 46.51 3kwh s GLY 406 CO 0.83 1.15 0.50 -0.42 0.00 0.00 0.00 173.10 175.16 3kwh s ILE 407 N -0.89 5.11 -0.12 0.90 1.01 -1.26 -1.44 121.20 124.50 3kwh s ILE 407 Ca -0.02 0.89 0.15 0.00 0.00 0.00 0.00 60.65 61.67 3kwh s ILE 407 Cb -0.01 -3.82 -0.23 0.00 0.01 0.00 0.00 42.46 38.41 3kwh s ILE 407 CO 0.01 0.15 0.38 -0.62 0.00 0.00 0.00 174.94 174.87 3kwh n GLU 408 N 5.03 0.69 -3.59 2.79 -0.58 0.45 -4.99 120.64 120.44 3kwh n GLU 408 Ca -0.05 -0.12 -0.09 0.00 -0.42 0.00 0.00 57.16 56.48 3kwh n GLU 408 Cb 0.50 -1.35 -0.05 0.00 -0.57 0.00 0.00 31.44 29.98 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 -2.98 -1.97 -0.02 0.62 0.00 -1.09 -4.79 121.76 111.52 3kwh s ALA 409 Ca -0.04 1.65 0.00 0.00 0.00 0.00 0.00 51.96 53.57 3kwh s ALA 409 Cb 0.10 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.37 3kwh s ALA 409 CO 0.64 -0.30 0.02 -1.17 0.00 0.00 0.00 175.76 174.95 3kwh s LEU 410 N -1.10 1.30 0.38 0.00 2.96 -1.26 -0.74 118.68 120.22 3kwh s LEU 410 Ca 0.01 0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 3kwh s LEU 410 Cb -0.01 -0.06 -0.04 0.00 0.50 0.00 0.00 46.19 46.59 3kwh s LEU 410 CO -0.00 -0.10 0.10 0.42 -1.32 0.00 0.00 176.35 175.44 3kwh s THR 411 N 0.81 0.84 0.31 3.68 -4.23 0.10 -4.93 115.64 112.22 3kwh s THR 411 Ca -0.07 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.74 3kwh s THR 411 Cb -0.10 -2.52 0.32 0.00 1.34 0.00 0.00 72.50 71.54 3kwh s THR 411 CO -0.02 0.00 2.03 0.77 -0.54 0.00 0.00 174.62 176.85 3kwh h SER 412 N 1.92 0.00 0.48 3.99 4.64 -2.00 -2.84 113.55 119.73 3kwh h SER 412 Ca -0.38 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.88 3kwh h SER 412 Cb 1.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 3kwh h SER 412 CO 0.63 0.11 -1.57 0.47 -0.87 0.00 0.00 176.83 175.59 3kwh n ASP 413 N -3.40 0.46 -3.80 4.97 8.00 -1.26 -4.78 116.55 116.74 3kwh n ASP 413 Ca -0.01 0.19 -0.12 0.00 0.71 0.00 0.00 54.79 55.55 3kwh n ASP 413 Cb 0.28 1.03 -0.09 0.00 -0.02 0.00 0.00 41.12 42.32 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 -3.27 -0.11 -0.12 1.24 2.02 -1.07 -2.42 117.35 113.62 3kwh s TYR 414 Ca -0.05 0.16 0.03 0.00 -0.37 0.00 0.00 57.07 56.84 3kwh s TYR 414 Cb 0.11 0.04 0.01 0.00 -0.40 0.00 0.00 41.96 41.72 3kwh s TYR 414 CO 0.84 -0.33 -0.21 -1.17 -1.57 0.00 0.00 175.55 173.11 3kwh s LEU 415 N -1.21 2.02 -0.18 -1.29 0.20 -1.12 0.00 118.68 117.11 3kwh s LEU 415 Ca -0.13 -0.55 -0.03 0.00 0.69 0.00 0.00 54.13 54.12 3kwh s LEU 415 Cb -0.06 -1.35 -0.02 0.00 -0.43 0.00 0.00 46.19 44.34 3kwh s LEU 415 CO 0.03 0.09 -0.05 -0.31 -0.29 0.00 0.00 176.35 175.82 3kwh s TYR 416 N 0.67 2.96 0.13 5.38 1.51 0.09 -2.04 117.35 126.05 3kwh s TYR 416 Ca -0.11 -0.60 0.04 0.00 -1.01 0.00 0.00 57.07 55.38 3kwh s TYR 416 Cb -0.16 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 3kwh s TYR 416 CO 0.02 -0.27 -0.09 1.52 -1.11 0.00 0.00 175.55 175.62 3kwh s TYR 417 N 0.81 1.17 -0.11 2.71 1.13 -0.98 -0.41 117.35 121.67 3kwh s TYR 417 Ca -0.02 -0.79 -0.02 0.00 -1.41 0.00 0.00 57.07 54.83 3kwh s TYR 417 Cb -0.15 -0.61 -0.03 0.00 -1.10 0.00 0.00 41.96 40.07 3kwh s TYR 417 CO 0.02 0.03 -0.03 0.42 -2.51 0.00 0.00 175.55 173.47 3kwh s ILE 418 N -3.34 4.01 0.30 -3.49 1.01 -0.52 -0.03 121.20 119.14 3kwh s ILE 418 Ca 0.15 -0.34 0.04 0.00 0.00 0.00 0.00 60.65 60.49 3kwh s ILE 418 Cb 0.03 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 3kwh s ILE 418 CO -0.01 0.55 0.18 -0.94 0.00 0.00 0.00 174.94 174.73 3kwh s SER 419 N -0.29 1.42 -0.31 3.58 1.04 -0.50 0.87 113.70 119.50 3kwh s SER 419 Ca 0.05 -1.58 0.09 0.00 0.48 0.00 0.00 55.95 54.99 3kwh s SER 419 Cb -0.12 0.43 0.56 0.00 0.10 0.00 0.00 66.02 66.99 3kwh s SER 419 CO 0.02 -0.92 1.58 -0.46 0.98 0.00 0.00 173.24 174.44 3kwh n ASN 420 N -0.99 3.09 -0.19 7.02 2.04 -1.03 -1.20 115.26 124.01 3kwh n ASN 420 Ca 0.02 -3.61 -0.08 0.00 -0.44 0.00 0.00 54.58 50.47 3kwh n ASN 420 Cb 0.64 -0.68 0.02 0.00 -2.53 0.00 0.00 39.78 37.23 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 1.23 0.82 -6.11 -3.83 4.81 -1.87 -3.36 114.58 106.27 3kwh h GLU 421 Ca 0.29 -0.17 -0.77 0.00 -0.13 0.00 0.00 59.36 58.58 3kwh h GLU 421 Cb 1.94 -0.12 0.03 0.00 0.63 0.00 0.00 28.75 31.23 3kwh h GLU 421 CO 0.55 0.74 0.58 0.98 -0.73 0.00 0.00 179.01 181.13 3kwh n TYR 422 N -4.49 1.58 -2.18 0.92 9.36 -1.26 -1.70 117.16 119.39 3kwh n TYR 422 Ca 0.02 0.82 -0.09 0.00 3.32 0.00 0.00 57.90 61.97 3kwh n TYR 422 Cb 0.18 -2.30 -0.01 0.00 -0.63 0.00 0.00 39.34 36.58 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 3.64 -2.12 -1.74 2.98 5.02 -1.26 -1.93 118.16 122.74 3kwh n LYS 423 Ca 0.25 0.48 -0.20 0.00 -2.02 0.00 0.00 58.31 56.82 3kwh n LYS 423 Cb 0.08 -4.96 -0.07 0.00 -0.02 0.00 0.00 35.03 30.06 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 -0.60 1.44 3.40 0.72 0.00 -0.69 -4.95 105.19 104.51 3kwh n GLY 424 Ca -0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.96 3.07 0.66 1.61 -1.94 -0.81 -4.94 119.30 112.98 3kwh s MET 425 Ca 0.00 -1.15 0.34 0.00 -1.71 0.00 0.00 55.69 53.17 3kwh s MET 425 Cb 0.00 -4.26 1.85 0.00 2.01 0.00 0.00 34.83 34.44 3kwh s MET 425 CO 0.00 -1.64 2.06 -1.35 -0.01 0.00 0.00 175.02 174.07 3kwh h PRO 426 N 9.32 0.00 -0.47 2.03 0.11 -1.89 -1.36 132.00 139.73 3kwh h PRO 426 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3kwh h PRO 426 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3kwh h PRO 426 CO 1.13 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.33 3kwh n GLY 427 N -1.20 3.06 4.01 -0.55 0.00 -1.26 -4.89 105.19 104.36 3kwh n GLY 427 Ca -0.02 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.18 1.79 -0.22 -0.02 0.00 -0.51 -2.50 107.32 104.68 3kwh s GLY 428 Ca 0.41 -1.86 -0.10 0.00 0.00 0.00 0.00 44.72 43.17 3kwh s GLY 428 CO 0.19 -1.45 0.51 0.50 0.00 0.00 0.00 173.10 172.84 3kwh s ARG 429 N -4.73 0.47 0.19 2.90 1.81 -0.07 -4.46 118.95 115.06 3kwh s ARG 429 Ca 0.61 1.05 0.02 0.00 -1.72 0.00 0.00 55.73 55.69 3kwh s ARG 429 Cb -0.07 0.24 -0.05 0.00 -0.45 0.00 0.00 34.95 34.62 3kwh s ARG 429 CO 0.39 -0.19 0.02 -0.80 -0.68 0.00 0.00 175.30 174.05 3kwh s ASN 430 N 2.00 1.17 -0.24 0.23 0.01 -0.34 -1.45 114.94 116.31 3kwh s ASN 430 Ca -0.07 -1.22 -0.10 0.00 -0.71 0.00 0.00 52.86 50.76 3kwh s ASN 430 Cb -0.09 0.14 -0.05 0.00 0.41 0.00 0.00 41.25 41.66 3kwh s ASN 430 CO -0.15 -0.61 0.14 -0.22 -1.51 0.00 0.00 177.10 174.75 3kwh s LEU 431 N -3.20 3.96 0.42 0.60 2.96 -1.26 -1.42 118.68 120.75 3kwh s LEU 431 Ca 0.27 0.03 0.07 0.00 -0.22 0.00 0.00 54.13 54.28 3kwh s LEU 431 Cb 0.06 -2.07 -0.07 0.00 0.50 0.00 0.00 46.19 44.62 3kwh s LEU 431 CO 0.06 0.04 0.07 -0.31 -1.32 0.00 0.00 176.35 174.88 3kwh s TYR 432 N 1.22 2.49 -0.03 5.38 1.51 0.96 0.14 117.35 129.02 3kwh s TYR 432 Ca 0.07 -0.67 0.01 0.00 -1.01 0.00 0.00 57.07 55.47 3kwh s TYR 432 Cb -0.14 -1.83 0.02 0.00 -0.11 0.00 0.00 41.96 39.91 3kwh s TYR 432 CO 0.05 0.34 -0.00 0.21 -1.11 0.00 0.00 175.55 175.04 3kwh s LYS 433 N -3.79 0.30 -0.03 -0.62 2.20 0.14 -2.31 119.74 115.63 3kwh s LYS 433 Ca 0.35 0.04 0.06 0.00 -0.36 0.00 0.00 55.97 56.06 3kwh s LYS 433 Cb 0.07 -0.45 -0.02 0.00 -1.51 0.00 0.00 37.83 35.92 3kwh s LYS 433 CO 0.18 -0.10 -0.20 0.42 -0.36 0.00 0.00 175.35 175.29 3kwh s ILE 434 N 0.85 2.59 -0.06 5.43 1.01 -0.87 -0.65 121.20 129.51 3kwh s ILE 434 Ca -0.09 -0.92 -0.22 0.00 0.00 0.00 0.00 60.65 59.43 3kwh s ILE 434 Cb -0.12 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 3kwh s ILE 434 CO -0.01 0.57 0.63 -1.10 0.00 0.00 0.00 174.94 175.03 3kwh s GLN 435 N -0.71 4.39 0.08 2.79 -0.21 -0.90 -2.78 119.66 122.32 3kwh s GLN 435 Ca 0.11 0.76 0.24 0.00 0.02 0.00 0.00 55.36 56.49 3kwh s GLN 435 Cb -0.10 -3.41 0.96 0.00 1.00 0.00 0.00 33.01 31.45 3kwh s GLN 435 CO 0.00 0.17 1.75 1.28 -2.12 0.00 0.00 175.29 176.38 3kwh n LEU 436 N 3.44 0.27 -0.05 2.90 4.77 -1.02 -2.80 117.00 124.52 3kwh n LEU 436 Ca -0.04 0.54 0.14 0.00 -0.03 0.00 0.00 56.01 56.62 3kwh n LEU 436 Cb 0.51 -0.47 0.60 0.00 -2.33 0.00 0.00 43.42 41.74 3kwh n LEU 436 CO 0.45 -0.18 0.88 -1.54 -1.33 0.00 0.00 177.39 175.67 3kwh n SER 437 N -1.77 0.25 -3.15 -1.43 3.41 -1.26 -4.63 113.62 105.05 3kwh n SER 437 Ca 0.05 -0.18 0.05 0.00 -0.26 0.00 0.00 58.87 58.53 3kwh n SER 437 Cb 0.30 -0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 64.06 3kwh n SER 437 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kwh s ASP 438 N -2.69 -0.79 0.17 4.04 2.15 -1.12 -5.05 116.67 113.39 3kwh s ASP 438 Ca 0.23 0.22 0.14 0.00 0.43 0.00 0.00 52.55 53.57 3kwh s ASP 438 Cb 0.20 1.55 0.69 0.00 -0.30 0.00 0.00 42.92 45.06 3kwh s ASP 438 CO 0.51 -0.14 1.42 -1.22 -0.17 0.00 0.00 175.17 175.57 3kwh n TYR 439 N 5.30 0.42 0.19 -5.34 4.01 -1.24 -0.56 117.16 119.93 3kwh n TYR 439 Ca 0.03 0.20 0.10 0.00 -0.16 0.00 0.00 57.90 58.08 3kwh n TYR 439 Cb 0.55 -0.83 0.12 0.00 -0.31 0.00 0.00 39.34 38.87 3kwh n TYR 439 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 3kwh h THR 440 N 0.00 0.16 -0.90 -0.72 1.35 -1.90 -3.41 112.91 107.50 3kwh h THR 440 Ca 0.00 -1.24 -0.54 0.00 -0.55 0.00 0.00 66.41 64.08 3kwh h THR 440 Cb 0.08 2.02 -0.08 0.00 -1.73 0.00 0.00 68.15 68.44 3kwh h THR 440 CO 0.00 0.09 1.53 -0.54 -0.25 0.00 0.00 175.52 176.35 3kwh s LYS 441 N -3.18 3.41 -0.12 4.72 1.02 0.27 -4.94 119.74 120.92 3kwh s LYS 441 Ca 0.05 -1.25 0.03 0.00 0.02 0.00 0.00 55.97 54.83 3kwh s LYS 441 Cb 0.06 -5.35 0.01 0.00 -0.52 0.00 0.00 37.83 32.03 3kwh s LYS 441 CO 0.70 -2.63 -0.22 0.08 -0.92 0.00 0.00 175.35 172.37 3kwh s VAL 442 N 6.32 1.99 -0.07 3.17 1.01 -1.26 -2.12 120.40 129.43 3kwh s VAL 442 Ca 0.55 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3kwh s VAL 442 Cb -0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 3kwh s VAL 442 CO -0.00 0.54 -0.10 -0.89 0.00 0.00 0.00 175.10 174.64 3kwh s THR 443 N 0.67 3.42 -0.24 3.92 2.01 0.18 -4.95 115.64 120.66 3kwh s THR 443 Ca -0.11 -0.58 -0.18 0.00 0.31 0.00 0.00 61.69 61.12 3kwh s THR 443 Cb -0.16 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 3kwh s THR 443 CO 0.02 0.59 0.53 0.00 -0.69 0.00 0.00 174.62 175.07 3kwh n LEU 445 N 5.27 0.55 0.00 0.00 4.77 0.12 -4.52 117.00 123.18 3kwh n LEU 445 Ca -0.04 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3kwh n LEU 445 Cb 0.50 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3kwh n LEU 445 CO 0.41 0.12 -0.43 -1.54 -1.33 0.00 0.00 177.39 174.62 3kwh n SER 446 N -1.55 4.32 -0.14 -1.43 3.41 -1.21 -4.81 113.62 112.21 3kwh n SER 446 Ca 0.05 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.56 3kwh n SER 446 Cb 0.34 0.84 -0.06 0.00 -0.26 0.00 0.00 64.21 65.08 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 -5.41 2.76 0.08 0.00 -0.58 -1.26 -4.05 120.64 112.18 3kwh n GLU 448 Ca -0.01 -1.91 -0.03 0.00 -0.42 0.00 0.00 57.16 54.78 3kwh n GLU 448 Cb 0.35 -1.65 0.19 0.00 -0.57 0.00 0.00 31.44 29.76 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 2.79 0.30 -5.00 -4.62 3.38 -1.82 -3.39 115.31 106.95 3kwh h LEU 449 Ca 0.00 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.67 3kwh h LEU 449 Cb 1.01 -0.09 -0.14 0.00 0.09 0.00 0.00 40.66 41.54 3kwh h LEU 449 CO 0.14 0.71 -0.35 0.59 0.09 0.00 0.00 178.44 179.63 3kwh n ASN 450 N -4.00 -2.41 0.24 -0.43 3.02 -1.26 -5.08 115.26 105.34 3kwh n ASN 450 Ca -0.02 -2.78 0.13 0.00 -0.03 0.00 0.00 54.58 51.88 3kwh n ASN 450 Cb 0.51 1.47 0.76 0.00 -0.61 0.00 0.00 39.78 41.90 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 3.78 0.00 0.01 3.52 0.11 -1.78 0.26 132.00 137.90 3kwh h PRO 451 Ca -0.17 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.66 3kwh h PRO 451 Cb 1.09 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 3kwh h PRO 451 CO 0.15 0.00 -1.60 0.93 -0.21 0.00 0.00 178.00 177.27 3kwh h GLU 452 N 0.00 0.02 0.04 1.05 5.08 -1.98 -3.39 114.58 115.41 3kwh h GLU 452 Ca 0.04 -0.04 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 3kwh h GLU 452 Cb 0.18 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 3kwh h GLU 452 CO -0.00 0.63 -2.06 -2.13 -1.00 0.00 0.00 179.01 174.45 3kwh n ARG 453 N -3.13 0.69 -4.23 2.33 0.63 -1.04 -4.58 116.66 107.32 3kwh n ARG 453 Ca -0.15 0.21 -0.32 0.00 -0.92 0.00 0.00 57.85 56.67 3kwh n ARG 453 Cb 1.03 -1.67 -0.16 0.00 0.45 0.00 0.00 32.46 32.11 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 4.51 0.00 -3.43 0.00 6.02 0.08 -4.43 117.38 120.13 3kwh n GLN 455 Ca -0.20 -0.32 -0.23 0.00 -0.01 0.00 0.00 57.00 56.24 3kwh n GLN 455 Cb 0.50 -0.40 -0.11 0.00 1.02 0.00 0.00 30.24 31.26 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 0.00 0.13 0.15 1.08 6.14 -1.14 -0.89 117.35 122.83 3kwh s TYR 456 Ca 0.00 -1.01 0.04 0.00 0.64 0.00 0.00 57.07 56.74 3kwh s TYR 456 Cb 0.00 -0.67 -0.04 0.00 0.42 0.00 0.00 41.96 41.67 3kwh s TYR 456 CO 0.00 -0.89 0.20 0.71 0.64 0.00 0.00 175.55 176.21 3kwh s TYR 457 N 1.57 3.32 0.13 4.97 2.02 -0.53 0.31 117.35 129.14 3kwh s TYR 457 Ca 0.15 0.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.91 3kwh s TYR 457 Cb -0.18 -1.60 -0.04 0.00 -0.40 0.00 0.00 41.96 39.74 3kwh s TYR 457 CO -0.12 0.52 0.02 -1.54 -1.57 0.00 0.00 175.55 172.86 3kwh s SER 458 N -3.11 0.71 0.05 2.29 1.04 -0.05 -4.71 113.70 109.92 3kwh s SER 458 Ca 0.33 -1.16 -0.02 0.00 0.48 0.00 0.00 55.95 55.58 3kwh s SER 458 Cb -0.11 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.19 3kwh s SER 458 CO 0.26 -0.64 -0.00 0.54 0.98 0.00 0.00 173.24 174.38 3kwh s VAL 459 N -3.87 0.20 -0.27 5.02 0.11 -1.26 -0.52 120.40 119.80 3kwh s VAL 459 Ca 0.21 -1.62 -0.02 0.00 -2.93 0.00 0.00 61.98 57.63 3kwh s VAL 459 Cb 0.07 -1.34 0.12 0.00 -1.53 0.00 0.00 36.38 33.70 3kwh s VAL 459 CO 0.01 -0.89 0.26 -0.55 -3.33 0.00 0.00 175.10 170.60 3kwh s SER 460 N -2.72 1.83 0.26 3.54 0.15 -0.52 -4.96 113.70 111.27 3kwh s SER 460 Ca 0.04 -0.71 -0.21 0.00 0.70 0.00 0.00 55.95 55.76 3kwh s SER 460 Cb 0.05 0.39 -0.09 0.00 -1.71 0.00 0.00 66.02 64.67 3kwh s SER 460 CO -0.09 -0.38 0.79 -0.36 1.20 0.00 0.00 173.24 174.40 3kwh s PHE 461 N 2.33 3.64 1.27 3.44 0.08 -1.26 -1.18 117.98 126.31 3kwh s PHE 461 Ca 0.09 1.49 -0.21 0.00 0.12 0.00 0.00 56.93 58.42 3kwh s PHE 461 Cb -0.14 -2.70 0.33 0.00 -0.57 0.00 0.00 43.02 39.93 3kwh s PHE 461 CO -0.30 0.28 0.85 -1.13 -0.10 0.00 0.00 175.22 174.82 3kwh n SER 462 N 0.61 -3.41 -4.76 1.36 3.41 -0.37 -4.83 113.62 105.63 3kwh n SER 462 Ca -0.01 -0.89 -0.39 0.00 -0.26 0.00 0.00 58.87 57.33 3kwh n SER 462 Cb 0.51 -0.90 0.01 0.00 -0.26 0.00 0.00 64.21 63.56 3kwh n SER 462 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3kwh s LYS 463 N -4.99 3.75 -0.08 4.33 1.02 -0.68 -1.83 119.74 121.26 3kwh s LYS 463 Ca 0.62 2.17 0.00 0.00 0.02 0.00 0.00 55.97 58.78 3kwh s LYS 463 Cb -0.09 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 3kwh s LYS 463 CO 0.50 -0.68 0.00 0.39 -0.92 0.00 0.00 175.35 174.65 3kwh n GLU 464 N -0.20 -1.98 -3.46 1.68 1.02 -1.26 -3.56 120.64 112.88 3kwh n GLU 464 Ca 0.05 0.49 -0.25 0.00 -0.02 0.00 0.00 57.16 57.43 3kwh n GLU 464 Cb 0.44 -4.85 0.03 0.00 -0.02 0.00 0.00 31.44 27.05 3kwh n GLU 464 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kwh n ALA 465 N 0.94 -1.15 0.22 0.62 0.00 -0.76 -4.86 120.51 115.52 3kwh n ALA 465 Ca -0.01 0.25 0.11 0.00 0.00 0.00 0.00 53.44 53.79 3kwh n ALA 465 Cb 0.47 -4.21 0.35 0.00 0.00 0.00 0.00 19.45 16.06 3kwh n ALA 465 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kwh h LYS 466 N -1.79 0.00 -3.66 0.00 3.64 -1.77 -3.42 116.57 109.58 3kwh h LYS 466 Ca -0.53 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.77 3kwh h LYS 466 Cb 1.36 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 33.05 3kwh h LYS 466 CO 0.59 0.17 -0.24 0.71 -2.27 0.00 0.00 179.45 178.41 3kwh s TYR 467 N -3.40 0.08 -0.05 1.91 1.51 -1.26 -1.58 117.35 114.55 3kwh s TYR 467 Ca 0.03 -0.45 -0.06 0.00 -1.01 0.00 0.00 57.07 55.58 3kwh s TYR 467 Cb 0.08 0.07 0.01 0.00 -0.11 0.00 0.00 41.96 42.02 3kwh s TYR 467 CO 0.65 -0.66 0.16 1.52 -1.11 0.00 0.00 175.55 176.10 3kwh s TYR 468 N -3.87 -0.15 -0.16 2.71 1.13 -1.09 -1.24 117.35 114.69 3kwh s TYR 468 Ca 0.07 0.35 -0.17 0.00 -1.41 0.00 0.00 57.07 55.92 3kwh s TYR 468 Cb 0.03 0.05 -0.04 0.00 -1.10 0.00 0.00 41.96 40.90 3kwh s TYR 468 CO -0.08 -0.11 0.43 -1.14 -2.51 0.00 0.00 175.55 172.14 3kwh s GLN 469 N -0.10 4.26 -0.08 -3.49 0.74 -0.32 -1.54 119.66 119.12 3kwh s GLN 469 Ca -0.02 0.31 -0.06 0.00 0.05 0.00 0.00 55.36 55.64 3kwh s GLN 469 Cb -0.02 -3.48 -0.04 0.00 1.10 0.00 0.00 33.01 30.57 3kwh s GLN 469 CO 0.00 0.08 0.16 -0.51 -0.55 0.00 0.00 175.29 174.47 3kwh s LEU 470 N 0.93 4.38 -0.23 3.68 1.43 -0.13 -1.44 118.68 127.30 3kwh s LEU 470 Ca 0.22 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 3kwh s LEU 470 Cb -0.15 -2.27 0.06 0.00 0.03 0.00 0.00 46.19 43.86 3kwh s LEU 470 CO 0.08 0.36 -0.05 -0.60 0.23 0.00 0.00 176.35 176.37 3kwh s ARG 471 N -1.35 1.56 -0.04 1.70 3.52 0.32 -1.60 118.95 123.06 3kwh s ARG 471 Ca 0.19 -0.94 -0.19 0.00 -0.13 0.00 0.00 55.73 54.67 3kwh s ARG 471 Cb -0.12 -2.54 -0.05 0.00 -1.56 0.00 0.00 34.95 30.68 3kwh s ARG 471 CO 0.09 -0.59 0.52 0.00 -0.81 0.00 0.00 175.30 174.51 3kwh n SER 473 N 2.88 1.40 0.00 0.00 7.64 0.15 -2.29 113.62 123.39 3kwh n SER 473 Ca -0.08 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 58.60 3kwh n SER 473 Cb 0.51 0.29 0.00 0.00 -1.01 0.00 0.00 64.21 64.00 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 0.72 -2.75 0.24 0.23 0.00 -1.26 -1.00 105.19 101.38 3kwh n GLY 474 Ca 0.04 -1.29 0.13 0.00 0.00 0.00 0.00 46.02 44.90 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 0.13 -0.45 0.31 132.00 133.60 3kwh h PRO 475 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3kwh h PRO 475 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3kwh h PRO 475 CO 0.00 0.09 0.00 0.41 -0.23 0.00 0.00 178.00 178.27 3kwh n GLY 476 N 0.41 -1.64 3.78 1.56 0.00 0.34 -4.41 105.19 105.21 3kwh n GLY 476 Ca 0.01 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 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 4.17 0.27 0.99 1.43 -1.26 -4.52 118.68 119.76 3kwh s LEU 477 Ca 0.00 2.17 -0.30 0.00 -1.03 0.00 0.00 54.13 54.96 3kwh s LEU 477 Cb 0.00 -4.10 -0.13 0.00 0.03 0.00 0.00 46.19 41.99 3kwh s LEU 477 CO 0.00 -0.56 1.39 -2.65 0.23 0.00 0.00 176.35 174.76 3kwh n PRO 478 N 0.02 2.13 -3.92 1.29 -0.02 -1.26 -4.74 135.00 128.50 3kwh n PRO 478 Ca 0.05 0.75 -0.28 0.00 -2.02 0.00 0.00 63.50 62.00 3kwh n PRO 478 Cb 0.48 -2.40 -0.17 0.00 -0.02 0.00 0.00 33.50 31.39 3kwh n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kwh s LEU 479 N -0.26 1.49 -0.17 2.45 0.20 -0.97 -4.35 118.68 117.08 3kwh s LEU 479 Ca 0.64 -0.51 -0.06 0.00 0.69 0.00 0.00 54.13 54.89 3kwh s LEU 479 Cb -0.61 -0.94 -0.04 0.00 -0.43 0.00 0.00 46.19 44.18 3kwh s LEU 479 CO 0.53 -0.14 0.05 -0.31 -0.29 0.00 0.00 176.35 176.19 3kwh s TYR 480 N 1.63 3.24 0.10 5.38 1.51 -0.57 -1.53 117.35 127.11 3kwh s TYR 480 Ca 0.03 0.08 0.03 0.00 -1.01 0.00 0.00 57.07 56.19 3kwh s TYR 480 Cb -0.14 -2.03 -0.04 0.00 -0.11 0.00 0.00 41.96 39.64 3kwh s TYR 480 CO -0.08 0.21 -0.08 0.95 -1.11 0.00 0.00 175.55 175.43 3kwh s THR 481 N 0.15 0.79 0.17 -0.71 -4.23 -0.63 0.49 115.64 111.66 3kwh s THR 481 Ca 0.04 -1.76 0.08 0.00 -1.18 0.00 0.00 61.69 58.87 3kwh s THR 481 Cb -0.12 -1.48 -0.04 0.00 1.34 0.00 0.00 72.50 72.20 3kwh s THR 481 CO 0.01 -0.72 -0.05 -0.22 -0.54 0.00 0.00 174.62 173.10 3kwh s LEU 482 N -2.71 3.15 0.15 4.79 2.96 -1.26 -0.96 118.68 124.80 3kwh s LEU 482 Ca 0.08 -0.46 -0.08 0.00 -0.22 0.00 0.00 54.13 53.45 3kwh s LEU 482 Cb 0.01 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 3kwh s LEU 482 CO -0.02 0.11 0.25 -1.00 -1.32 0.00 0.00 176.35 174.37 3kwh s HIS 483 N -1.65 0.39 -0.08 5.38 3.76 -0.59 -2.12 115.29 120.37 3kwh s HIS 483 Ca 0.26 -0.77 0.01 0.00 -0.15 0.00 0.00 55.06 54.41 3kwh s HIS 483 Cb -0.09 -0.09 -0.03 0.00 1.11 0.00 0.00 32.58 33.48 3kwh s HIS 483 CO 0.17 -0.67 -0.09 0.45 -0.85 0.00 0.00 174.74 173.74 3kwh s SER 484 N -2.96 4.42 0.11 1.40 0.15 -0.94 -2.66 113.70 113.23 3kwh s SER 484 Ca 0.16 -0.12 0.15 0.00 0.70 0.00 0.00 55.95 56.84 3kwh s SER 484 Cb 0.04 -1.22 -0.10 0.00 -1.71 0.00 0.00 66.02 63.03 3kwh s SER 484 CO -0.02 0.31 1.01 0.28 1.20 0.00 0.00 173.24 176.02 3kwh h SER 485 N 5.65 0.00 -0.90 5.45 0.02 -1.55 -2.01 113.55 120.20 3kwh h SER 485 Ca -0.43 0.00 0.18 0.00 -0.84 0.00 0.00 61.79 60.70 3kwh h SER 485 Cb 1.18 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.61 3kwh h SER 485 CO 0.53 0.63 0.47 0.58 -1.14 0.00 0.00 176.83 177.91 3kwh h VAL 486 N 0.00 0.66 0.00 2.27 2.07 -1.90 -3.01 116.25 116.34 3kwh h VAL 486 Ca -0.12 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3kwh h VAL 486 Cb 1.59 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3kwh h VAL 486 CO 0.06 0.11 -0.15 0.59 0.02 0.00 0.00 177.57 178.20 3kwh n ASN 487 N -4.89 1.15 -3.84 0.57 4.13 -1.26 -5.02 115.26 106.11 3kwh n ASN 487 Ca 0.20 -2.16 -0.27 0.00 1.68 0.00 0.00 54.58 54.03 3kwh n ASN 487 Cb 0.53 -0.20 0.03 0.00 -1.54 0.00 0.00 39.78 38.60 3kwh n ASN 487 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3kwh n ASP 488 N -0.56 -3.32 -4.84 6.41 8.00 -0.78 -4.96 116.55 116.51 3kwh n ASP 488 Ca 0.05 -0.80 -0.35 0.00 0.71 0.00 0.00 54.79 54.40 3kwh n ASP 488 Cb 0.55 -3.92 -0.06 0.00 -0.02 0.00 0.00 41.12 37.68 3kwh n ASP 488 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3kwh s LYS 489 N -6.39 4.08 -0.21 -1.24 2.20 -1.08 -4.90 119.74 112.21 3kwh s LYS 489 Ca 0.40 0.65 -0.29 0.00 -0.36 0.00 0.00 55.97 56.37 3kwh s LYS 489 Cb -0.20 -2.82 0.00 0.00 -1.51 0.00 0.00 37.83 33.31 3kwh s LYS 489 CO 0.83 0.39 1.02 0.20 -0.36 0.00 0.00 175.35 177.42 3kwh s GLY 490 N -1.82 1.83 -0.13 5.54 0.00 -1.26 -2.21 107.32 109.26 3kwh s GLY 490 Ca 0.43 0.20 -0.18 0.00 0.00 0.00 0.00 44.72 45.17 3kwh s GLY 490 CO 0.20 2.11 0.43 1.41 0.00 0.00 0.00 173.10 177.24 3kwh h LEU 491 N 9.15 0.00 0.00 0.66 3.38 -1.76 -3.49 115.31 123.25 3kwh h LEU 491 Ca -0.22 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.17 3kwh h LEU 491 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3kwh h LEU 491 CO 0.95 0.88 0.00 0.54 0.09 0.00 0.00 178.44 180.90 3kwh n ARG 492 N -4.65 0.00 -3.70 1.13 1.74 -1.25 -5.03 116.66 104.90 3kwh n ARG 492 Ca -0.09 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.88 3kwh n ARG 492 Cb 0.34 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.66 3kwh n ARG 492 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kwh s VAL 493 N 0.31 -0.14 -0.17 1.55 1.01 -1.26 -4.39 120.40 117.31 3kwh s VAL 493 Ca 0.00 0.14 0.11 0.00 0.00 0.00 0.00 61.98 62.23 3kwh s VAL 493 Cb 0.00 -0.53 -0.23 0.00 0.00 0.00 0.00 36.38 35.62 3kwh s VAL 493 CO 0.00 0.06 0.18 0.18 0.00 0.00 0.00 175.10 175.52 3kwh n LEU 494 N 4.49 1.09 -3.50 3.92 4.77 0.18 -4.94 117.00 123.01 3kwh n LEU 494 Ca -0.21 0.09 0.01 0.00 -0.03 0.00 0.00 56.01 55.87 3kwh n LEU 494 Cb 0.53 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 3kwh n LEU 494 CO 0.08 0.60 0.31 -0.70 -1.33 0.00 0.00 177.39 176.36 3kwh s GLU 495 N -2.53 0.52 0.00 3.23 2.56 -1.08 -4.99 118.70 116.41 3kwh s GLU 495 Ca -0.15 1.22 0.16 0.00 0.00 0.00 0.00 54.97 56.21 3kwh s GLU 495 Cb 0.07 0.73 0.05 0.00 2.00 0.00 0.00 34.13 36.98 3kwh s GLU 495 CO 0.78 -0.26 0.93 -0.40 -0.56 0.00 0.00 175.26 175.74 3kwh n ASP 496 N 5.37 1.94 -2.71 -1.70 5.68 -1.26 -1.51 116.55 122.37 3kwh n ASP 496 Ca -0.09 -1.47 -0.21 0.00 -0.50 0.00 0.00 54.79 52.51 3kwh n ASP 496 Cb 0.50 0.28 0.01 0.00 -1.14 0.00 0.00 41.12 40.77 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 0.31 -5.95 -0.24 -1.12 3.02 -1.26 -4.81 115.26 105.21 3kwh n ASN 497 Ca 0.08 -0.14 -0.01 0.00 -0.03 0.00 0.00 54.58 54.47 3kwh n ASN 497 Cb 0.37 -4.88 0.10 0.00 -0.61 0.00 0.00 39.78 34.76 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 -0.66 0.60 -0.35 6.41 4.64 -1.94 -0.96 113.55 121.29 3kwh h SER 498 Ca -0.51 0.03 0.07 0.00 -0.47 0.00 0.00 61.79 60.91 3kwh h SER 498 Cb 1.36 -0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 63.29 3kwh h SER 498 CO 0.57 0.39 -0.12 0.00 -0.87 0.00 0.00 176.83 176.81 3kwh h ALA 499 N 1.35 0.18 -0.62 5.18 0.00 -1.99 0.12 119.26 123.48 3kwh h ALA 499 Ca 0.31 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.42 3kwh h ALA 499 Cb 0.17 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 3kwh h ALA 499 CO -0.17 -0.49 0.30 1.25 0.00 0.00 0.00 179.25 180.14 3kwh h LEU 500 N -0.05 0.41 -0.65 0.00 6.46 -1.53 -1.80 115.31 118.15 3kwh h LEU 500 Ca 0.17 0.05 0.09 0.00 -0.12 0.00 0.00 57.88 58.07 3kwh h LEU 500 Cb 0.31 -0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 40.14 3kwh h LEU 500 CO -0.39 0.26 0.30 -0.78 -0.62 0.00 0.00 178.44 177.21 3kwh h ASP 501 N 0.55 0.36 -0.08 1.25 3.58 0.40 -0.02 116.42 122.47 3kwh h ASP 501 Ca 0.29 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.80 3kwh h ASP 501 Cb 0.25 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.31 3kwh h ASP 501 CO -0.22 0.21 0.03 0.11 -2.88 0.00 0.00 179.24 176.49 3kwh h LYS 502 N 0.51 0.11 -0.88 0.28 1.57 -0.31 -2.35 116.57 115.51 3kwh h LYS 502 Ca 0.32 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.11 3kwh h LYS 502 Cb 0.35 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 3kwh h LYS 502 CO -0.27 0.24 0.57 0.52 -0.57 0.00 0.00 179.45 179.94 3kwh h MET 503 N -0.04 1.09 -0.01 3.15 2.86 -0.73 -2.89 114.93 118.36 3kwh h MET 503 Ca 0.02 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.50 3kwh h MET 503 Cb 0.17 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 3kwh h MET 503 CO -0.00 0.72 -0.47 -0.07 1.06 0.00 0.00 176.91 178.15 3kwh h LEU 504 N 1.12 0.03 -2.00 1.22 3.38 -0.79 -2.52 115.31 115.76 3kwh h LEU 504 Ca 0.35 -0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.50 3kwh h LEU 504 Cb -0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3kwh h LEU 504 CO -0.11 0.50 0.50 1.56 0.09 0.00 0.00 178.44 180.98 3kwh h GLN 505 N 0.02 0.00 -0.68 1.13 4.20 -1.20 -1.53 115.11 117.05 3kwh h GLN 505 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kwh h GLN 505 Cb 0.85 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.63 3kwh h GLN 505 CO 0.06 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.31 3kwh n ASN 506 N -4.31 1.54 -3.94 1.46 3.02 -0.95 -4.91 115.26 107.17 3kwh n ASN 506 Ca 0.14 -2.12 -0.10 0.00 -0.03 0.00 0.00 54.58 52.47 3kwh n ASN 506 Cb 0.76 -0.40 -0.11 0.00 -0.61 0.00 0.00 39.78 39.43 3kwh n ASN 506 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kwh s VAL 507 N -1.48 0.10 -1.34 2.41 0.11 -0.58 -3.58 120.40 116.04 3kwh s VAL 507 Ca 0.10 -0.82 -0.17 0.00 -2.93 0.00 0.00 61.98 58.16 3kwh s VAL 507 Cb 0.07 -0.31 0.06 0.00 -1.53 0.00 0.00 36.38 34.67 3kwh s VAL 507 CO 0.04 -0.45 1.87 0.00 -3.33 0.00 0.00 175.10 173.23 3kwh n GLN 508 N 1.59 3.11 -2.36 1.54 6.02 0.44 -4.95 117.38 122.76 3kwh n GLN 508 Ca -0.23 -3.10 -0.36 0.00 -0.01 0.00 0.00 57.00 53.29 3kwh n GLN 508 Cb 0.55 -3.44 -0.02 0.00 1.02 0.00 0.00 30.24 28.35 3kwh n GLN 508 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3kwh s MET 509 N 3.93 3.83 0.81 -1.09 -1.94 -1.26 -4.38 119.30 119.20 3kwh s MET 509 Ca 0.52 1.65 -0.12 0.00 -1.71 0.00 0.00 55.69 56.03 3kwh s MET 509 Cb 0.07 -2.37 0.08 0.00 2.01 0.00 0.00 34.83 34.61 3kwh s MET 509 CO 0.03 -0.46 1.17 -1.25 -0.01 0.00 0.00 175.02 174.51 3kwh s PRO 510 N -2.75 1.98 0.39 2.03 0.04 -1.26 -4.39 135.00 131.05 3kwh s PRO 510 Ca 0.63 0.10 0.08 0.00 0.04 0.00 0.00 61.00 61.85 3kwh s PRO 510 Cb -0.25 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.26 3kwh s PRO 510 CO 0.31 -1.58 0.02 -1.54 0.04 0.00 0.00 177.00 174.24 3kwh s SER 511 N -4.57 3.95 -0.05 6.66 1.04 -0.91 -4.96 113.70 114.86 3kwh s SER 511 Ca 0.62 -1.27 0.05 0.00 0.48 0.00 0.00 55.95 55.82 3kwh s SER 511 Cb -0.11 -0.41 -0.00 0.00 0.10 0.00 0.00 66.02 65.59 3kwh s SER 511 CO 0.49 -0.41 -0.20 -0.75 0.98 0.00 0.00 173.24 173.35 3kwh s LYS 512 N -3.72 2.08 -0.14 4.02 2.20 -1.26 -1.10 119.74 121.82 3kwh s LYS 512 Ca 0.35 -0.71 -0.01 0.00 -0.36 0.00 0.00 55.97 55.25 3kwh s LYS 512 Cb 0.07 -1.77 -0.02 0.00 -1.51 0.00 0.00 37.83 34.60 3kwh s LYS 512 CO 0.18 0.27 -0.11 0.21 -0.36 0.00 0.00 175.35 175.55 3kwh s LYS 513 N 0.02 3.44 -0.14 4.03 2.20 0.03 -4.94 119.74 124.38 3kwh s LYS 513 Ca -0.05 -0.65 0.01 0.00 -0.36 0.00 0.00 55.97 54.92 3kwh s LYS 513 Cb -0.13 -2.71 -0.00 0.00 -1.51 0.00 0.00 37.83 33.48 3kwh s LYS 513 CO 0.03 0.19 -0.18 -1.17 -0.36 0.00 0.00 175.35 173.86 3kwh s LEU 514 N 0.43 2.37 0.00 5.43 0.20 -1.26 -0.67 118.68 125.18 3kwh s LEU 514 Ca -0.08 -0.49 0.00 0.00 0.69 0.00 0.00 54.13 54.25 3kwh s LEU 514 Cb -0.15 -1.52 0.00 0.00 -0.43 0.00 0.00 46.19 44.09 3kwh s LEU 514 CO 0.04 0.11 0.00 -0.67 -0.29 0.00 0.00 176.35 175.55 3kwh n ASP 515 N 3.86 0.00 -3.87 3.68 -0.08 -0.99 -5.04 116.55 114.12 3kwh n ASP 515 Ca -0.19 -0.63 -0.10 0.00 -1.51 0.00 0.00 54.79 52.36 3kwh n ASP 515 Cb 0.52 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.90 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 -5.59 0.13 0.40 -0.67 -0.12 -1.26 -1.72 117.98 109.14 3kwh s PHE 516 Ca 0.00 -0.45 0.05 0.00 -0.05 0.00 0.00 56.93 56.48 3kwh s PHE 516 Cb 0.00 -0.07 -0.06 0.00 -0.63 0.00 0.00 43.02 42.25 3kwh s PHE 516 CO 0.00 -0.45 0.03 0.96 -0.05 0.00 0.00 175.22 175.71 3kwh s ILE 517 N -3.05 1.56 -0.08 -4.49 -4.36 -0.17 -4.94 121.20 105.68 3kwh s ILE 517 Ca -0.01 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.39 3kwh s ILE 517 Cb 0.01 -2.79 -0.02 0.00 1.25 0.00 0.00 42.46 40.90 3kwh s ILE 517 CO -0.07 0.00 -0.11 -0.63 0.24 0.00 0.00 174.94 174.37 3kwh s ILE 518 N -2.94 3.28 -0.16 8.37 -1.09 -1.26 -0.74 121.20 126.67 3kwh s ILE 518 Ca 0.31 -0.63 -0.05 0.00 -2.23 0.00 0.00 60.65 58.06 3kwh s ILE 518 Cb 0.08 -2.33 0.06 0.00 -1.58 0.00 0.00 42.46 38.69 3kwh s ILE 518 CO 0.15 0.57 0.09 -0.76 -1.23 0.00 0.00 174.94 173.76 3kwh s LEU 519 N -0.47 0.32 -1.06 2.97 1.02 0.39 -4.89 118.68 116.97 3kwh s LEU 519 Ca 0.06 -0.55 -0.14 0.00 0.02 0.00 0.00 54.13 53.52 3kwh s LEU 519 Cb -0.12 -0.23 -0.02 0.00 0.02 0.00 0.00 46.19 45.84 3kwh s LEU 519 CO 0.02 -0.34 0.81 0.59 0.02 0.00 0.00 176.35 177.45 3kwh n ASN 520 N 5.28 -5.88 0.00 2.29 3.02 -1.26 -1.61 115.26 117.10 3kwh n ASN 520 Ca -0.07 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 3kwh n ASN 520 Cb 0.49 -3.92 0.00 0.00 -0.61 0.00 0.00 39.78 35.74 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 -3.65 0.00 -4.27 3.52 1.02 -1.26 -4.98 120.64 111.02 3kwh n GLU 521 Ca -0.09 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.75 3kwh n GLU 521 Cb 0.59 -2.78 -0.10 0.00 -0.02 0.00 0.00 31.44 29.13 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 -2.46 3.16 -0.18 2.62 2.01 -0.63 -5.10 115.64 115.04 3kwh s THR 522 Ca 0.00 -1.35 -0.28 0.00 0.31 0.00 0.00 61.69 60.37 3kwh s THR 522 Cb 0.00 -2.46 -0.00 0.00 0.01 0.00 0.00 72.50 70.05 3kwh s THR 522 CO 0.00 0.12 0.97 -0.54 -0.69 0.00 0.00 174.62 174.48 3kwh s LYS 523 N -2.15 4.30 -0.06 4.92 1.02 -1.26 -0.46 119.74 126.05 3kwh s LYS 523 Ca 0.20 1.26 0.02 0.00 0.02 0.00 0.00 55.97 57.47 3kwh s LYS 523 Cb -0.11 -3.60 0.01 0.00 -0.52 0.00 0.00 37.83 33.61 3kwh s LYS 523 CO 0.12 -0.47 -0.12 -0.06 -0.92 0.00 0.00 175.35 173.90 3kwh s PHE 524 N 2.63 1.39 0.57 3.18 0.08 0.09 -4.98 117.98 120.94 3kwh s PHE 524 Ca 0.43 -0.51 -0.08 0.00 0.12 0.00 0.00 56.93 56.90 3kwh s PHE 524 Cb -0.16 -1.03 -0.03 0.00 -0.57 0.00 0.00 43.02 41.23 3kwh s PHE 524 CO 0.11 -0.27 0.92 -1.58 -0.10 0.00 0.00 175.22 174.30 3kwh s TRP 525 N 0.69 3.54 0.19 0.36 0.52 -1.26 -1.00 118.94 121.97 3kwh s TRP 525 Ca -0.14 1.00 -0.13 0.00 0.02 0.00 0.00 56.10 56.85 3kwh s TRP 525 Cb -0.16 -2.57 0.01 0.00 -1.15 0.00 0.00 33.47 29.59 3kwh s TRP 525 CO 0.03 -0.57 0.40 1.52 0.02 0.00 0.00 176.95 178.36 3kwh s TYR 526 N -2.99 0.20 0.07 -1.98 1.13 -0.70 -1.98 117.35 111.09 3kwh s TYR 526 Ca 0.52 -0.55 0.03 0.00 -1.41 0.00 0.00 57.07 55.65 3kwh s TYR 526 Cb -0.11 0.15 -0.03 0.00 -1.10 0.00 0.00 41.96 40.87 3kwh s TYR 526 CO 0.49 -0.84 -0.09 1.14 -2.51 0.00 0.00 175.55 173.74 3kwh s GLN 527 N -3.94 0.70 0.00 -3.49 -2.07 -0.34 -2.34 119.66 108.19 3kwh s GLN 527 Ca 0.15 -0.97 0.05 0.00 -1.82 0.00 0.00 55.36 52.77 3kwh s GLN 527 Cb 0.01 -0.43 -0.02 0.00 -1.09 0.00 0.00 33.01 31.49 3kwh s GLN 527 CO 0.00 0.07 -0.17 -1.64 -1.32 0.00 0.00 175.29 172.24 3kwh s MET 528 N -2.23 1.28 -0.44 9.60 -1.94 0.15 -1.90 119.30 123.82 3kwh s MET 528 Ca -0.02 -0.66 -0.09 0.00 -1.71 0.00 0.00 55.69 53.21 3kwh s MET 528 Cb -0.06 -1.27 0.10 0.00 2.01 0.00 0.00 34.83 35.61 3kwh s MET 528 CO -0.00 0.34 0.30 0.42 -0.01 0.00 0.00 175.02 176.07 3kwh s ILE 529 N -0.51 4.24 0.01 2.53 1.01 -0.50 -0.79 121.20 127.19 3kwh s ILE 529 Ca 0.06 -1.58 -0.10 0.00 0.00 0.00 0.00 60.65 59.03 3kwh s ILE 529 Cb -0.07 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 3kwh s ILE 529 CO -0.00 -0.64 0.34 -0.76 0.00 0.00 0.00 174.94 173.88 3kwh s LEU 530 N 1.40 4.40 0.85 2.97 1.43 -0.26 -2.45 118.68 127.02 3kwh s LEU 530 Ca 0.04 0.74 -0.10 0.00 -1.03 0.00 0.00 54.13 53.79 3kwh s LEU 530 Cb -0.25 -2.68 0.11 0.00 0.03 0.00 0.00 46.19 43.40 3kwh s LEU 530 CO 0.01 0.27 1.12 -2.84 0.23 0.00 0.00 176.35 175.14 3kwh s PRO 531 N -1.52 1.58 0.65 1.29 0.02 -1.26 -2.13 135.00 133.62 3kwh s PRO 531 Ca 0.27 1.38 -0.15 0.00 0.02 0.00 0.00 61.00 62.51 3kwh s PRO 531 Cb -0.14 -1.80 -0.00 0.00 0.02 0.00 0.00 34.50 32.57 3kwh s PRO 531 CO 0.14 -2.19 1.11 -1.25 -0.33 0.00 0.00 177.00 174.49 3kwh s PRO 532 N -4.77 2.83 -1.45 5.54 0.04 -1.26 -2.45 135.00 133.48 3kwh s PRO 532 Ca 0.64 1.42 -0.06 0.00 0.04 0.00 0.00 61.00 63.04 3kwh s PRO 532 Cb -0.20 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.43 3kwh s PRO 532 CO 0.57 -1.23 0.66 0.72 0.04 0.00 0.00 177.00 177.76 3kwh n HIS 533 N -2.32 -1.86 -1.77 0.56 8.25 -1.26 -4.85 115.22 111.97 3kwh n HIS 533 Ca 0.11 0.81 -0.41 0.00 -0.26 0.00 0.00 57.72 57.97 3kwh n HIS 533 Cb 0.52 -3.83 0.01 0.00 1.12 0.00 0.00 29.99 27.80 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 -4.42 2.89 -3.74 4.41 7.35 -1.03 -5.01 117.46 117.91 3kwh n PHE 534 Ca -0.18 0.44 -0.23 0.00 -0.76 0.00 0.00 57.45 56.72 3kwh n PHE 534 Cb 0.62 -2.51 -0.17 0.00 0.35 0.00 0.00 39.48 37.77 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 -0.25 1.78 0.00 -2.13 2.15 -1.26 -5.03 116.67 111.93 3kwh s ASP 535 Ca 0.56 -0.21 0.20 0.00 0.43 0.00 0.00 52.55 53.53 3kwh s ASP 535 Cb -0.47 -0.42 1.04 0.00 -0.30 0.00 0.00 42.92 42.77 3kwh s ASP 535 CO 0.62 -0.23 1.62 2.29 -0.17 0.00 0.00 175.17 179.30 3kwh n LYS 536 N 5.16 0.34 0.00 4.34 2.85 -1.26 -2.24 118.16 127.35 3kwh n LYS 536 Ca -0.07 0.08 0.13 0.00 -1.05 0.00 0.00 58.31 57.40 3kwh n LYS 536 Cb 0.50 -1.50 0.36 0.00 -0.65 0.00 0.00 35.03 33.74 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 -1.24 1.15 -4.95 -5.58 3.41 -1.26 -4.12 113.62 101.03 3kwh n SER 537 Ca 0.10 -0.99 -0.20 0.00 -0.26 0.00 0.00 58.87 57.53 3kwh n SER 537 Cb 0.14 0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 64.23 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 -2.46 3.07 -0.19 4.33 1.02 -0.95 -5.04 119.74 119.53 3kwh s LYS 538 Ca 0.25 -1.04 -0.05 0.00 0.02 0.00 0.00 55.97 55.15 3kwh s LYS 538 Cb 0.19 -2.75 -0.02 0.00 -0.52 0.00 0.00 37.83 34.73 3kwh s LYS 538 CO 0.51 0.13 -0.01 0.15 -0.92 0.00 0.00 175.35 175.21 3kwh s LYS 539 N -4.10 3.60 -0.04 1.68 1.02 -1.26 -4.30 119.74 116.35 3kwh s LYS 539 Ca 0.42 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 55.88 3kwh s LYS 539 Cb -0.09 -3.03 -0.03 0.00 -0.52 0.00 0.00 37.83 34.16 3kwh s LYS 539 CO 0.30 0.04 0.00 0.71 -0.92 0.00 0.00 175.35 175.47 3kwh s TYR 540 N 0.92 3.11 0.46 3.18 1.51 0.17 -4.63 117.35 122.07 3kwh s TYR 540 Ca 0.01 0.13 -0.24 0.00 -1.01 0.00 0.00 57.07 55.95 3kwh s TYR 540 Cb -0.14 -1.72 -0.08 0.00 -0.11 0.00 0.00 41.96 39.91 3kwh s TYR 540 CO 0.02 0.46 1.34 -1.25 -1.11 0.00 0.00 175.55 175.01 3kwh s PRO 541 N -1.27 3.66 -0.11 -1.71 0.04 -1.26 -2.17 135.00 132.19 3kwh s PRO 541 Ca 0.17 2.22 0.03 0.00 0.04 0.00 0.00 61.00 63.46 3kwh s PRO 541 Cb -0.11 -2.57 0.01 0.00 0.04 0.00 0.00 34.50 31.86 3kwh s PRO 541 CO 0.07 -0.77 -0.19 -1.17 0.04 0.00 0.00 177.00 174.98 3kwh s LEU 542 N -2.84 1.90 -0.25 -3.56 0.20 -0.45 -1.59 118.68 112.09 3kwh s LEU 542 Ca 0.62 -0.49 -0.10 0.00 0.69 0.00 0.00 54.13 54.86 3kwh s LEU 542 Cb -0.39 -1.22 -0.04 0.00 -0.43 0.00 0.00 46.19 44.10 3kwh s LEU 542 CO 0.50 0.07 0.14 -0.22 -0.29 0.00 0.00 176.35 176.55 3kwh s LEU 543 N 0.73 3.90 -0.52 -0.68 0.20 0.15 -0.82 118.68 121.64 3kwh s LEU 543 Ca -0.11 -0.01 -0.21 0.00 0.69 0.00 0.00 54.13 54.49 3kwh s LEU 543 Cb -0.16 -2.06 0.05 0.00 -0.43 0.00 0.00 46.19 43.59 3kwh s LEU 543 CO 0.02 0.01 0.74 -0.22 -0.29 0.00 0.00 176.35 176.61 3kwh s LEU 544 N 1.41 4.61 -0.36 -0.68 2.96 -0.61 0.15 118.68 126.15 3kwh s LEU 544 Ca 0.07 -0.66 -0.28 0.00 -0.22 0.00 0.00 54.13 53.04 3kwh s LEU 544 Cb -0.15 -2.61 0.02 0.00 0.50 0.00 0.00 46.19 43.95 3kwh s LEU 544 CO 0.07 -1.00 1.06 -0.62 -1.32 0.00 0.00 176.35 174.53 3kwh s ASP 545 N 2.68 6.81 0.00 3.68 -1.08 0.40 -1.67 116.67 127.50 3kwh s ASP 545 Ca 0.21 0.83 0.06 0.00 -0.52 0.00 0.00 52.55 53.14 3kwh s ASP 545 Cb -0.16 -2.53 -0.02 0.00 -1.46 0.00 0.00 42.92 38.75 3kwh s ASP 545 CO 0.15 -0.96 -0.20 0.54 0.52 0.00 0.00 175.17 175.23 3kwh s VAL 546 N 3.79 1.57 0.00 1.11 0.11 -0.60 -4.24 120.40 122.15 3kwh s VAL 546 Ca 0.44 -0.94 0.00 0.00 -2.93 0.00 0.00 61.98 58.56 3kwh s VAL 546 Cb -0.11 -1.33 0.00 0.00 -1.53 0.00 0.00 36.38 33.41 3kwh s VAL 546 CO 0.20 0.37 0.00 0.00 -3.33 0.00 0.00 175.10 172.34 3kwh n TYR 547 N 2.39 0.00 -1.58 1.54 9.36 -1.26 -4.34 117.16 123.26 3kwh n TYR 547 Ca -0.16 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 60.95 3kwh n TYR 547 Cb 0.53 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.21 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 -1.54 -0.22 -1.54 2.98 0.00 -1.26 -3.26 120.51 115.68 3kwh n ALA 548 Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 53.44 53.29 3kwh n ALA 548 Cb 0.00 -1.36 0.08 0.00 0.00 0.00 0.00 19.45 18.17 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 -2.77 1.63 0.18 0.00 0.00 -1.26 -4.86 107.32 100.25 3kwh s GLY 549 Ca 0.00 -0.12 -0.33 0.00 0.00 0.00 0.00 44.72 44.27 3kwh s GLY 549 CO 0.00 0.28 1.30 -1.05 0.00 0.00 0.00 173.10 173.63 3kwh n PRO 550 N -3.38 1.52 -3.57 2.90 -0.02 -1.26 -0.53 135.00 130.66 3kwh n PRO 550 Ca 0.07 0.54 -0.26 0.00 -2.02 0.00 0.00 63.50 61.83 3kwh n PRO 550 Cb 0.55 -2.13 0.03 0.00 -0.02 0.00 0.00 33.50 31.93 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 -3.06 5.63 -0.20 0.00 1.04 0.31 -4.40 113.70 113.01 3kwh s SER 552 Ca 0.53 -0.44 -0.04 0.00 0.48 0.00 0.00 55.95 56.48 3kwh s SER 552 Cb -0.26 -0.67 0.10 0.00 0.10 0.00 0.00 66.02 65.30 3kwh s SER 552 CO 0.65 -0.75 0.31 -1.58 0.98 0.00 0.00 173.24 172.86 3kwh s GLN 553 N -4.33 0.26 -0.00 4.02 0.74 -1.26 -0.76 119.66 118.32 3kwh s GLN 553 Ca 0.54 0.55 0.13 0.00 0.05 0.00 0.00 55.36 56.64 3kwh s GLN 553 Cb -0.10 -0.49 -0.16 0.00 1.10 0.00 0.00 33.01 33.36 3kwh s GLN 553 CO 0.33 -0.52 0.50 1.63 -0.55 0.00 0.00 175.29 176.67 3kwh n LYS 554 N 5.35 2.09 -3.72 1.67 4.76 -1.26 -4.84 118.16 122.21 3kwh n LYS 554 Ca -0.05 -0.03 -0.38 0.00 -2.87 0.00 0.00 58.31 54.98 3kwh n LYS 554 Cb 0.50 -1.17 -0.12 0.00 -1.84 0.00 0.00 35.03 32.39 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 -2.42 3.10 0.00 7.82 0.00 -1.26 -4.85 121.76 124.15 3kwh s ALA 555 Ca 0.03 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.30 3kwh s ALA 555 Cb 0.10 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.91 3kwh s ALA 555 CO 0.55 -1.26 0.00 -0.40 0.00 0.00 0.00 175.76 174.65 3kwh n ASP 556 N 4.86 0.00 -0.97 0.00 5.68 -1.26 -4.47 116.55 120.38 3kwh n ASP 556 Ca -0.13 -0.88 0.08 0.00 -0.50 0.00 0.00 54.79 53.37 3kwh n ASP 556 Cb 0.46 0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.67 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 0.00 1.12 -2.99 2.12 -2.24 -1.04 -4.95 114.28 106.30 3kwh n THR 557 Ca 0.00 -1.06 -0.35 0.00 -2.27 0.00 0.00 64.05 60.38 3kwh n THR 557 Cb 0.00 0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 68.60 3kwh n THR 557 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3kwh s VAL 558 N -1.15 4.49 -0.16 2.28 0.11 -1.26 -1.80 120.40 122.91 3kwh s VAL 558 Ca 0.35 1.35 -0.22 0.00 -2.93 0.00 0.00 61.98 60.53 3kwh s VAL 558 Cb 0.19 -3.78 -0.03 0.00 -1.53 0.00 0.00 36.38 31.24 3kwh s VAL 558 CO 0.22 -0.01 0.67 0.12 -3.33 0.00 0.00 175.10 172.78 3kwh s PHE 559 N -1.79 3.43 0.06 1.54 5.36 -0.17 -4.88 117.98 121.53 3kwh s PHE 559 Ca 0.51 1.05 0.05 0.00 -0.96 0.00 0.00 56.93 57.58 3kwh s PHE 559 Cb -0.14 -2.83 -0.03 0.00 -0.34 0.00 0.00 43.02 39.68 3kwh s PHE 559 CO 0.19 -0.12 -0.14 1.03 -1.46 0.00 0.00 175.22 174.72 3kwh s ARG 560 N 1.69 0.83 -0.30 10.12 0.52 -1.26 -4.87 118.95 125.68 3kwh s ARG 560 Ca 0.32 -0.90 0.01 0.00 -0.52 0.00 0.00 55.73 54.64 3kwh s ARG 560 Cb -0.16 -0.83 0.07 0.00 0.52 0.00 0.00 34.95 34.54 3kwh s ARG 560 CO 0.12 0.19 -0.01 -0.51 0.02 0.00 0.00 175.30 175.11 3kwh s LEU 561 N -1.58 4.05 0.00 2.53 1.43 -1.26 -4.89 118.68 118.95 3kwh s LEU 561 Ca -0.01 -1.58 -0.00 0.00 -1.03 0.00 0.00 54.13 51.51 3kwh s LEU 561 Cb -0.09 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.48 3kwh s LEU 561 CO 0.02 -0.29 0.03 -0.46 0.23 0.00 0.00 176.35 175.88 3kwh n ASN 562 N 4.47 -0.08 -0.08 2.29 2.04 -1.26 -5.00 115.26 117.65 3kwh n ASN 562 Ca -0.09 -1.09 -0.07 0.00 -0.44 0.00 0.00 54.58 52.90 3kwh n ASN 562 Cb 0.42 0.14 -0.00 0.00 -2.53 0.00 0.00 39.78 37.81 3kwh n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.44 0.00 0.00 177.26 176.57 3kwh h TRP 563 N 1.05 -0.41 -0.71 -2.53 7.01 -1.98 0.31 115.95 118.69 3kwh h TRP 563 Ca -0.01 0.04 0.13 0.00 2.11 0.00 0.00 58.89 61.16 3kwh h TRP 563 Cb 0.06 0.23 -0.09 0.00 -2.10 0.00 0.00 29.16 27.25 3kwh h TRP 563 CO 0.00 -0.24 0.24 0.00 -2.79 0.00 0.00 178.44 175.65 3kwh h ALA 564 N 1.08 0.95 -0.47 2.65 0.00 -1.98 0.37 119.26 121.86 3kwh h ALA 564 Ca 0.16 0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.29 3kwh h ALA 564 Cb 0.37 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.19 3kwh h ALA 564 CO -0.38 -0.25 -0.20 1.15 0.00 0.00 0.00 179.25 179.57 3kwh h THR 565 N 0.37 0.39 -0.70 0.00 2.02 -0.74 -0.56 112.91 113.70 3kwh h THR 565 Ca 0.38 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.50 3kwh h THR 565 Cb 0.58 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 3kwh h THR 565 CO -0.41 0.00 0.20 0.22 0.37 0.00 0.00 175.52 175.90 3kwh h TYR 566 N -0.09 1.14 -0.58 3.16 3.20 0.03 -0.88 116.97 122.94 3kwh h TYR 566 Ca 0.22 -0.12 0.05 0.00 3.14 0.00 0.00 58.73 62.02 3kwh h TYR 566 Cb 0.44 -0.33 -0.05 0.00 1.54 0.00 0.00 36.73 38.34 3kwh h TYR 566 CO -0.47 0.92 0.30 -0.07 -1.64 0.00 0.00 178.16 177.20 3kwh h LEU 567 N 1.03 0.44 0.09 2.82 3.38 0.58 -2.10 115.31 121.55 3kwh h LEU 567 Ca 0.22 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 3kwh h LEU 567 Cb 0.33 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3kwh h LEU 567 CO -0.00 0.30 -0.04 0.00 0.09 0.00 0.00 178.44 178.78 3kwh h ALA 568 N 1.31 -0.12 -0.65 1.53 0.00 -0.99 -1.85 119.26 118.49 3kwh h ALA 568 Ca 0.26 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3kwh h ALA 568 Cb 0.16 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3kwh h ALA 568 CO -0.17 -0.27 0.08 1.03 0.00 0.00 0.00 179.25 179.92 3kwh h SER 569 N -0.72 1.04 0.05 0.00 0.87 -1.10 -1.44 113.55 112.25 3kwh h SER 569 Ca -0.01 -0.26 -0.38 0.00 -1.23 0.00 0.00 61.79 59.92 3kwh h SER 569 Cb 0.56 -0.28 -0.06 0.00 -0.44 0.00 0.00 62.40 62.18 3kwh h SER 569 CO 0.02 1.04 -2.33 0.41 -0.53 0.00 0.00 176.83 175.44 3kwh n THR 570 N -4.21 1.54 0.86 2.23 -1.04 -0.80 -4.56 114.28 108.31 3kwh n THR 570 Ca 0.04 -0.65 0.11 0.00 -2.04 0.00 0.00 64.05 61.51 3kwh n THR 570 Cb 0.30 -1.29 0.10 0.00 -1.82 0.00 0.00 70.33 67.62 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 -3.20 2.03 -3.89 -2.82 -0.58 -0.74 -4.97 120.64 106.47 3kwh n GLU 571 Ca -0.40 -1.82 -0.28 0.00 -0.42 0.00 0.00 57.16 54.24 3kwh n GLU 571 Cb 1.03 -1.42 0.02 0.00 -0.57 0.00 0.00 31.44 30.51 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 1.23 -3.67 -4.64 1.62 3.02 -0.54 -4.92 115.26 107.36 3kwh n ASN 572 Ca 0.13 -0.82 -0.35 0.00 -0.03 0.00 0.00 54.58 53.52 3kwh n ASN 572 Cb 0.54 -3.79 -0.10 0.00 -0.61 0.00 0.00 39.78 35.82 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 -3.42 4.57 -0.10 2.41 1.01 -0.93 -4.58 121.20 120.15 3kwh s ILE 573 Ca 0.49 -0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.72 3kwh s ILE 573 Cb -0.25 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 3kwh s ILE 573 CO 0.84 0.51 1.09 -0.63 0.00 0.00 0.00 174.94 176.75 3kwh s ILE 574 N -0.00 4.56 -0.23 2.92 1.01 -0.62 -3.41 121.20 125.42 3kwh s ILE 574 Ca 0.05 1.85 -0.06 0.00 0.00 0.00 0.00 60.65 62.48 3kwh s ILE 574 Cb -0.12 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 3kwh s ILE 574 CO 0.01 -0.03 0.04 -0.69 0.00 0.00 0.00 174.94 174.27 3kwh s VAL 575 N 2.30 4.10 0.05 2.92 1.01 -1.02 0.31 120.40 130.07 3kwh s VAL 575 Ca 0.51 -0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.33 3kwh s VAL 575 Cb -0.20 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 3kwh s VAL 575 CO 0.18 0.38 -0.25 0.00 0.00 0.00 0.00 175.10 175.40 3kwh s ALA 576 N 1.40 2.16 0.05 5.51 0.00 0.39 -1.41 121.76 129.86 3kwh s ALA 576 Ca 0.05 -1.25 0.04 0.00 0.00 0.00 0.00 51.96 50.81 3kwh s ALA 576 Cb -0.15 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 3kwh s ALA 576 CO 0.02 0.51 -0.12 -1.12 0.00 0.00 0.00 175.76 175.05 3kwh s SER 577 N -1.30 1.40 -0.03 0.00 0.01 -0.80 0.15 113.70 113.13 3kwh s SER 577 Ca 0.11 -0.54 -0.03 0.00 1.31 0.00 0.00 55.95 56.80 3kwh s SER 577 Cb -0.10 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.10 3kwh s SER 577 CO 0.02 -0.08 0.09 0.12 0.41 0.00 0.00 173.24 173.79 3kwh s PHE 578 N -1.17 -0.09 -0.41 2.43 5.36 -1.26 -1.20 117.98 121.64 3kwh s PHE 578 Ca -0.03 0.23 -0.07 0.00 -0.96 0.00 0.00 56.93 56.10 3kwh s PHE 578 Cb -0.09 0.03 0.08 0.00 -0.34 0.00 0.00 43.02 42.70 3kwh s PHE 578 CO 0.01 -0.05 0.22 -0.51 -1.46 0.00 0.00 175.22 173.44 3kwh s ASP 579 N 0.07 5.49 0.00 6.13 1.01 -0.84 -4.84 116.67 123.69 3kwh s ASP 579 Ca -0.00 -1.60 0.00 0.00 0.71 0.00 0.00 52.55 51.66 3kwh s ASP 579 Cb -0.01 -1.93 0.00 0.00 1.01 0.00 0.00 42.92 41.99 3kwh s ASP 579 CO -0.00 -0.52 0.00 0.61 0.21 0.00 0.00 175.17 175.47 3kwh n GLY 580 N 4.82 2.74 3.72 0.21 0.00 -1.26 -4.07 105.19 111.35 3kwh n GLY 580 Ca -0.09 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 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 2.34 0.00 1.61 1.74 -1.26 -0.62 116.66 120.46 3kwh n ARG 581 Ca 0.00 0.82 0.00 0.00 -0.77 0.00 0.00 57.85 57.90 3kwh n ARG 581 Cb 0.00 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 28.95 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 1.27 3.36 3.81 -0.13 0.00 0.82 -4.18 105.19 110.14 3kwh n GLY 582 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.02 4.42 0.50 1.61 1.04 0.21 -0.50 113.70 119.95 3kwh s SER 583 Ca 0.00 1.26 0.06 0.00 0.48 0.00 0.00 55.95 57.76 3kwh s SER 583 Cb 0.00 -1.98 0.02 0.00 0.10 0.00 0.00 66.02 64.16 3kwh s SER 583 CO 0.00 -2.01 0.40 -0.83 0.98 0.00 0.00 173.24 171.78 3kwh s GLY 584 N -3.93 2.27 0.00 7.32 0.00 0.06 -3.68 107.32 109.35 3kwh s GLY 584 Ca 0.61 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.76 3kwh s GLY 584 CO 0.54 -1.86 0.00 -1.72 0.00 0.00 0.00 173.10 170.06 3kwh n TYR 585 N -1.68 0.00 -1.85 1.90 4.01 -1.26 -4.86 117.16 113.42 3kwh n TYR 585 Ca 0.01 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.80 3kwh n TYR 585 Cb 0.63 -0.24 0.13 0.00 -0.31 0.00 0.00 39.34 39.55 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 -2.40 0.94 0.00 -0.72 6.02 -1.26 -4.31 117.38 115.65 3kwh n GLN 586 Ca 0.00 -2.66 0.00 0.00 -0.01 0.00 0.00 57.00 54.33 3kwh n GLN 586 Cb 0.05 -1.02 0.00 0.00 1.02 0.00 0.00 30.24 30.29 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 -0.57 -0.54 0.16 1.08 0.00 -1.26 -4.62 105.19 99.45 3kwh n GLY 587 Ca 0.13 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.32 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 0.45 -0.82 1.61 3.32 -1.24 -1.77 116.42 117.97 3kwh h ASP 588 Ca 0.00 -0.34 0.20 0.00 0.02 0.00 0.00 57.03 56.91 3kwh h ASP 588 Cb 0.00 -0.14 -0.14 0.00 0.22 0.00 0.00 39.33 39.27 3kwh h ASP 588 CO 0.00 1.12 0.09 0.50 -1.72 0.00 0.00 179.24 179.23 3kwh h LYS 589 N 0.22 0.14 0.05 3.56 3.64 -1.85 0.31 116.57 122.63 3kwh h LYS 589 Ca -0.05 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.18 3kwh h LYS 589 Cb 1.46 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.25 3kwh h LYS 589 CO 0.14 0.09 -0.67 0.82 -2.27 0.00 0.00 179.45 177.57 3kwh h ILE 590 N 0.14 1.43 -0.18 2.00 2.04 -1.81 -3.24 117.51 117.89 3kwh h ILE 590 Ca 0.48 -2.36 -0.01 0.00 1.00 0.00 0.00 64.86 63.97 3kwh h ILE 590 Cb 0.91 3.01 -0.01 0.00 -0.74 0.00 0.00 36.82 39.98 3kwh h ILE 590 CO -0.68 0.59 0.09 -0.03 0.00 0.00 0.00 178.15 178.12 3kwh h MET 591 N -0.75 0.26 -0.13 2.37 4.05 -0.35 0.24 114.93 120.61 3kwh h MET 591 Ca -0.15 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.23 3kwh h MET 591 Cb 1.33 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.08 3kwh h MET 591 CO 0.00 0.27 0.00 0.72 0.23 0.00 0.00 176.91 178.13 3kwh n HIS 592 N -4.89 0.17 0.32 1.39 8.25 0.98 -3.85 115.22 117.60 3kwh n HIS 592 Ca -0.04 -0.09 0.13 0.00 -0.26 0.00 0.00 57.72 57.47 3kwh n HIS 592 Cb 0.08 0.00 0.59 0.00 1.12 0.00 0.00 29.99 31.79 3kwh n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kwh h ALA 593 N 3.25 1.00 -0.44 -1.41 0.00 -1.53 -1.40 119.26 118.73 3kwh h ALA 593 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kwh h ALA 593 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kwh h ALA 593 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 179.25 180.76 3kwh n ILE 594 N -2.44 0.97 -1.67 0.00 0.13 -1.25 -4.91 119.36 110.18 3kwh n ILE 594 Ca 0.01 -0.98 -0.44 0.00 -1.10 0.00 0.00 62.75 60.23 3kwh n ILE 594 Cb 0.19 0.53 -0.02 0.00 -0.84 0.00 0.00 39.64 39.50 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 0.82 2.56 -0.95 9.51 5.15 -0.53 -0.83 115.26 130.99 3kwh n ASN 595 Ca 0.15 1.17 -0.11 0.00 -0.60 0.00 0.00 54.58 55.18 3kwh n ASN 595 Cb 0.47 -1.42 -0.05 0.00 -0.53 0.00 0.00 39.78 38.25 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 1.44 -1.62 -2.92 1.20 1.74 0.21 -4.80 116.66 111.90 3kwh n ARG 596 Ca 0.09 0.83 -0.13 0.00 -0.77 0.00 0.00 57.85 57.87 3kwh n ARG 596 Cb 0.33 -5.12 0.03 0.00 -1.02 0.00 0.00 32.46 26.68 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 -1.04 1.02 -1.51 5.56 1.74 -0.01 -4.90 116.66 117.53 3kwh n ARG 597 Ca -0.11 -2.69 -0.32 0.00 -0.77 0.00 0.00 57.85 53.96 3kwh n ARG 597 Cb 0.53 -1.27 0.07 0.00 -1.02 0.00 0.00 32.46 30.77 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 -2.50 3.20 -0.60 0.55 1.43 -1.24 -3.66 118.68 115.86 3kwh s LEU 598 Ca 0.30 1.89 -0.03 0.00 -1.03 0.00 0.00 54.13 55.26 3kwh s LEU 598 Cb 0.34 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 42.03 3kwh s LEU 598 CO -0.06 -1.81 0.36 0.61 0.23 0.00 0.00 176.35 175.68 3kwh n GLY 599 N -0.96 0.26 0.00 -3.19 0.00 -1.26 -4.89 105.19 95.15 3kwh n GLY 599 Ca 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3kwh n GLY 599 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kwh n THR 600 N -3.65 0.00 0.12 2.61 -1.04 -1.24 -4.77 114.28 106.31 3kwh n THR 600 Ca -0.02 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.14 3kwh n THR 600 Cb 0.54 0.00 0.69 0.00 -1.82 0.00 0.00 70.33 69.73 3kwh n THR 600 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 3kwh h PHE 601 N 0.00 0.00 -0.04 -1.42 0.04 -1.91 0.43 116.94 114.04 3kwh h PHE 601 Ca 0.00 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 3kwh h PHE 601 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3kwh h PHE 601 CO 0.00 0.00 -0.58 1.05 -0.60 0.00 0.00 178.31 178.18 3kwh h GLU 602 N 0.00 0.12 -0.01 1.51 9.09 -1.90 -1.47 114.58 121.91 3kwh h GLU 602 Ca 0.14 -0.08 -0.04 0.00 0.05 0.00 0.00 59.36 59.43 3kwh h GLU 602 Cb 0.59 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.70 3kwh h GLU 602 CO -0.00 0.66 -0.15 0.28 0.05 0.00 0.00 179.01 179.85 3kwh h VAL 603 N 0.09 1.53 -0.70 -1.06 2.07 -0.49 -3.05 116.25 114.65 3kwh h VAL 603 Ca -0.00 -1.78 0.14 0.00 0.82 0.00 0.00 66.70 65.87 3kwh h VAL 603 Cb 1.04 2.65 -0.10 0.00 -1.52 0.00 0.00 31.29 33.37 3kwh h VAL 603 CO 0.08 0.48 0.22 -0.33 0.02 0.00 0.00 177.57 178.04 3kwh h GLU 604 N -0.53 0.34 0.00 1.57 5.08 -1.24 -1.76 114.58 118.04 3kwh h GLU 604 Ca -0.01 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 3kwh h GLU 604 Cb 0.87 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 3kwh h GLU 604 CO 0.03 0.22 -0.32 -0.44 -1.00 0.00 0.00 179.01 177.51 3kwh h ASP 605 N 0.35 0.00 0.90 1.42 5.19 -1.33 -0.50 116.42 122.44 3kwh h ASP 605 Ca 0.38 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.68 3kwh h ASP 605 Cb 0.59 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.09 3kwh h ASP 605 CO -0.43 0.32 -0.54 1.56 -3.12 0.00 0.00 179.24 177.03 3kwh h GLN 606 N 0.00 0.00 -0.05 3.56 1.08 -1.21 -2.31 115.11 116.18 3kwh h GLN 606 Ca -0.00 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.08 3kwh h GLN 606 Cb 0.68 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.12 3kwh h GLN 606 CO 0.04 0.54 -0.44 0.82 -0.95 0.00 0.00 178.83 178.84 3kwh h ILE 607 N 0.00 1.43 -0.49 2.54 2.04 -0.94 -2.90 117.51 119.18 3kwh h ILE 607 Ca -0.01 -1.89 -0.04 0.00 1.00 0.00 0.00 64.86 63.93 3kwh h ILE 607 Cb 1.13 2.44 -0.02 0.00 -0.74 0.00 0.00 36.82 39.62 3kwh h ILE 607 CO 0.07 0.55 0.14 -0.08 0.00 0.00 0.00 178.15 178.82 3kwh h GLU 608 N -0.12 0.74 -0.27 2.37 4.57 -1.18 -0.66 114.58 120.03 3kwh h GLU 608 Ca -0.04 -0.13 -0.08 0.00 -1.18 0.00 0.00 59.36 57.92 3kwh h GLU 608 Cb 1.12 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.58 3kwh h GLU 608 CO 0.09 0.66 -0.18 0.00 -1.18 0.00 0.00 179.01 178.39 3kwh h ALA 609 N 1.43 1.19 -0.27 2.92 0.00 -1.40 -1.47 119.26 121.67 3kwh h ALA 609 Ca 0.16 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 3kwh h ALA 609 Cb 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kwh h ALA 609 CO -0.01 0.52 -0.21 0.00 0.00 0.00 0.00 179.25 179.55 3kwh h ALA 610 N 1.38 0.38 -0.38 0.00 0.00 -1.21 0.11 119.26 119.55 3kwh h ALA 610 Ca 0.07 -0.36 0.07 0.00 0.00 0.00 0.00 54.91 54.69 3kwh h ALA 610 Cb 0.57 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 3kwh h ALA 610 CO 0.04 0.33 -0.07 0.00 0.00 0.00 0.00 179.25 179.55 3kwh h ARG 611 N 0.34 0.02 0.00 0.00 3.08 -0.71 0.35 114.38 117.47 3kwh h ARG 611 Ca 0.05 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 3kwh h ARG 611 Cb 0.76 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 3kwh h ARG 611 CO 0.06 0.02 -0.44 1.96 -1.07 0.00 0.00 179.97 180.49 3kwh h GLN 612 N 0.02 0.00 -0.43 0.04 4.20 -1.13 -0.96 115.11 116.85 3kwh h GLN 612 Ca 0.18 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.78 3kwh h GLN 612 Cb 0.27 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 3kwh h GLN 612 CO -0.37 0.44 -0.19 0.74 -0.67 0.00 0.00 178.83 178.79 3kwh h PHE 613 N 0.00 0.94 -0.64 2.96 0.04 0.54 -3.12 116.94 117.67 3kwh h PHE 613 Ca -0.00 -0.21 0.13 0.00 2.80 0.00 0.00 57.97 60.69 3kwh h PHE 613 Cb 0.80 -0.23 -0.11 0.00 2.20 0.00 0.00 35.95 38.61 3kwh h PHE 613 CO 0.00 0.95 -0.02 0.77 -0.60 0.00 0.00 178.31 179.41 3kwh h SER 614 N 0.73 -0.33 0.00 2.17 0.02 0.10 -0.71 113.55 115.54 3kwh h SER 614 Ca 0.11 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 3kwh h SER 614 Cb 0.71 0.30 0.00 0.00 0.14 0.00 0.00 62.40 63.55 3kwh h SER 614 CO 0.05 -0.14 0.00 0.29 -1.14 0.00 0.00 176.83 175.90 3kwh n LYS 615 N -5.31 0.91 -3.54 3.45 5.02 -1.02 -4.56 118.16 113.11 3kwh n LYS 615 Ca 0.09 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.01 3kwh n LYS 615 Cb 0.37 -1.23 -0.06 0.00 -0.02 0.00 0.00 35.03 34.08 3kwh n LYS 615 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3kwh s MET 616 N -1.49 4.02 0.18 1.97 -1.94 -0.27 -4.93 119.30 116.83 3kwh s MET 616 Ca 0.00 0.24 0.07 0.00 -1.71 0.00 0.00 55.69 54.29 3kwh s MET 616 Cb 0.00 -3.31 0.40 0.00 2.01 0.00 0.00 34.83 33.93 3kwh s MET 616 CO 0.00 0.49 1.09 0.41 -0.01 0.00 0.00 175.02 176.99 3kwh n GLY 617 N 2.54 -0.49 0.82 -0.03 0.00 -1.26 -2.54 105.19 104.23 3kwh n GLY 617 Ca -0.13 0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.72 0.39 -4.74 1.61 1.16 -1.26 -4.67 117.46 108.22 3kwh n PHE 618 Ca -0.00 -0.29 -0.33 0.00 -1.87 0.00 0.00 57.45 54.96 3kwh n PHE 618 Cb 0.25 -0.01 -0.15 0.00 -1.61 0.00 0.00 39.48 37.96 3kwh n PHE 618 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 3kwh s VAL 619 N -1.15 2.68 -0.27 1.97 -7.23 -1.05 0.44 120.40 115.78 3kwh s VAL 619 Ca 0.28 -0.78 -0.28 0.00 -1.81 0.00 0.00 61.98 59.39 3kwh s VAL 619 Cb 0.16 -2.11 0.01 0.00 0.56 0.00 0.00 36.38 35.00 3kwh s VAL 619 CO 0.22 0.53 0.99 -0.62 -0.31 0.00 0.00 175.10 175.91 3kwh s ASP 620 N 0.57 6.94 0.00 4.85 2.15 -0.92 -4.80 116.67 125.46 3kwh s ASP 620 Ca -0.10 1.12 0.09 0.00 0.43 0.00 0.00 52.55 54.09 3kwh s ASP 620 Cb -0.16 -2.51 0.45 0.00 -0.30 0.00 0.00 42.92 40.40 3kwh s ASP 620 CO 0.04 -0.72 1.21 -0.46 -0.17 0.00 0.00 175.17 175.07 3kwh n ASN 621 N 6.47 0.00 0.05 -0.34 2.04 -1.26 -2.25 115.26 119.97 3kwh n ASN 621 Ca 0.10 0.25 0.12 0.00 -0.44 0.00 0.00 54.58 54.61 3kwh n ASN 621 Cb 0.47 -0.34 0.19 0.00 -2.53 0.00 0.00 39.78 37.56 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 -1.34 0.24 -3.22 -3.83 5.02 -1.26 -4.38 118.16 109.39 3kwh n LYS 622 Ca 0.04 0.07 -0.24 0.00 -2.02 0.00 0.00 58.31 56.16 3kwh n LYS 622 Cb 0.08 -1.65 -0.06 0.00 -0.02 0.00 0.00 35.03 33.38 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 -2.00 1.66 -4.01 1.97 1.74 -0.95 -4.87 116.66 110.20 3kwh n ARG 623 Ca 0.04 -3.92 -0.35 0.00 -0.77 0.00 0.00 57.85 52.85 3kwh n ARG 623 Cb 0.42 -1.76 -0.13 0.00 -1.02 0.00 0.00 32.46 29.97 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 -2.29 3.64 0.50 0.55 1.01 -1.26 -1.34 121.20 122.02 3kwh s ILE 624 Ca 0.39 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.68 3kwh s ILE 624 Cb 0.21 -2.65 0.00 0.00 0.01 0.00 0.00 42.46 40.03 3kwh s ILE 624 CO -0.08 0.42 0.25 0.00 0.00 0.00 0.00 174.94 175.53 3kwh s ALA 625 N 1.25 4.12 -0.01 9.38 0.00 0.00 -2.04 121.76 134.46 3kwh s ALA 625 Ca 0.03 -1.30 -0.02 0.00 0.00 0.00 0.00 51.96 50.67 3kwh s ALA 625 Cb -0.14 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.50 3kwh s ALA 625 CO -0.00 -0.27 0.04 -1.50 0.00 0.00 0.00 175.76 174.03 3kwh s ILE 626 N -2.74 0.04 0.10 0.00 2.07 -0.47 -1.57 121.20 118.62 3kwh s ILE 626 Ca 0.30 -0.31 -0.15 0.00 -1.41 0.00 0.00 60.65 59.08 3kwh s ILE 626 Cb 0.00 -0.16 0.03 0.00 0.13 0.00 0.00 42.46 42.46 3kwh s ILE 626 CO 0.17 -0.17 0.35 -1.66 -1.91 0.00 0.00 174.94 171.73 3kwh s TRP 627 N -0.50 -0.14 -0.01 3.50 1.48 -0.67 -1.50 118.94 121.09 3kwh s TRP 627 Ca -0.06 -0.14 -0.30 0.00 -1.06 0.00 0.00 56.10 54.55 3kwh s TRP 627 Cb -0.04 0.18 0.11 0.00 -1.16 0.00 0.00 33.47 32.57 3kwh s TRP 627 CO -0.00 -0.63 1.28 0.20 -4.06 0.00 0.00 176.95 173.74 3kwh s GLY 628 N -2.61 -0.33 -0.05 3.67 0.00 -0.88 -1.56 107.32 105.55 3kwh s GLY 628 Ca 0.01 0.51 0.02 0.00 0.00 0.00 0.00 44.72 45.27 3kwh s GLY 628 CO -0.09 1.50 -0.10 0.86 0.00 0.00 0.00 173.10 175.26 3kwh s TRP 629 N -2.31 1.20 0.00 1.90 -0.11 -1.26 -0.57 118.94 117.79 3kwh s TRP 629 Ca 0.18 -0.38 0.00 0.00 1.22 0.00 0.00 56.10 57.12 3kwh s TRP 629 Cb 0.03 -0.88 0.00 0.00 -1.50 0.00 0.00 33.47 31.12 3kwh s TRP 629 CO -0.03 -0.20 0.00 0.45 -4.62 0.00 0.00 176.95 172.55 3kwh n SER 630 N 3.64 0.00 -0.24 5.86 2.88 -0.49 -1.55 113.62 123.72 3kwh n SER 630 Ca -0.22 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.37 3kwh n SER 630 Cb 0.52 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.14 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 0.15 -1.10 0.66 5.03 -1.88 0.62 116.97 120.44 3kwh h TYR 631 Ca 0.00 0.05 0.31 0.00 2.58 0.00 0.00 58.73 61.67 3kwh h TYR 631 Cb 0.00 0.04 -0.11 0.00 1.55 0.00 0.00 36.73 38.21 3kwh h TYR 631 CO 0.00 -0.13 0.70 0.78 -1.32 0.00 0.00 178.16 178.19 3kwh h GLY 632 N 0.21 1.38 2.00 1.82 0.00 -1.26 0.16 103.07 107.38 3kwh h GLY 632 Ca 0.39 -0.19 -0.17 0.00 0.00 0.00 0.00 47.33 47.36 3kwh h GLY 632 CO -0.53 -0.25 -0.80 -1.33 0.00 0.00 0.00 176.54 173.62 3kwh h GLY 633 N 0.32 0.00 0.61 4.60 0.00 0.18 -1.46 103.07 107.32 3kwh h GLY 633 Ca 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.99 3kwh h GLY 633 CO -0.37 0.00 -0.02 -1.82 0.00 0.00 0.00 176.54 174.33 3kwh h TYR 634 N 0.00 0.09 -0.03 5.60 3.20 -0.05 0.57 116.97 126.35 3kwh h TYR 634 Ca -0.01 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 3kwh h TYR 634 Cb 1.44 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.69 3kwh h TYR 634 CO 0.00 0.48 0.01 0.28 -1.64 0.00 0.00 178.16 177.29 3kwh h VAL 635 N -0.33 1.07 -0.95 1.81 2.07 -1.02 0.17 116.25 119.07 3kwh h VAL 635 Ca 0.01 -0.21 0.13 0.00 0.82 0.00 0.00 66.70 67.44 3kwh h VAL 635 Cb 0.46 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 31.32 3kwh h VAL 635 CO 0.01 0.06 0.60 0.74 0.02 0.00 0.00 177.57 179.00 3kwh h THR 636 N -0.05 0.89 -0.14 2.57 2.02 -1.22 0.24 112.91 117.23 3kwh h THR 636 Ca 0.01 -0.30 -0.10 0.00 0.77 0.00 0.00 66.41 66.79 3kwh h THR 636 Cb 0.08 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 3kwh h THR 636 CO -0.00 0.16 -0.30 0.28 0.37 0.00 0.00 175.52 176.03 3kwh h SER 637 N 0.87 0.50 -0.22 4.18 0.02 0.11 -1.25 113.55 117.75 3kwh h SER 637 Ca 0.47 -0.56 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 3kwh h SER 637 Cb 0.58 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 3kwh h SER 637 CO -0.24 0.97 0.10 0.24 -1.14 0.00 0.00 176.83 176.76 3kwh h MET 638 N 0.05 0.39 0.05 3.45 2.86 0.63 -0.60 114.93 121.76 3kwh h MET 638 Ca 0.00 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3kwh h MET 638 Cb 0.89 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.48 3kwh h MET 638 CO 0.07 0.34 -0.02 0.28 1.06 0.00 0.00 176.91 178.63 3kwh h VAL 639 N 0.39 1.19 -0.12 -2.22 2.07 -0.38 -2.75 116.25 114.43 3kwh h VAL 639 Ca 0.10 -0.84 0.03 0.00 0.82 0.00 0.00 66.70 66.81 3kwh h VAL 639 Cb 0.10 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3kwh h VAL 639 CO -0.01 0.21 0.10 -0.07 0.02 0.00 0.00 177.57 177.82 3kwh h LEU 640 N -0.44 0.00 -2.56 2.57 3.38 -0.29 -1.17 115.31 116.81 3kwh h LEU 640 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kwh h LEU 640 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3kwh h LEU 640 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 3kwh n GLY 641 N -1.48 2.17 0.09 0.83 0.00 -0.32 -4.20 105.19 102.28 3kwh n GLY 641 Ca -0.00 -0.69 -0.05 0.00 0.00 0.00 0.00 46.02 45.28 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 3.42 0.00 0.00 1.61 4.64 -0.91 -3.44 113.55 118.87 3kwh h SER 642 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kwh h SER 642 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3kwh h SER 642 CO 0.16 0.82 0.00 0.61 -0.87 0.00 0.00 176.83 177.54 3kwh n GLY 643 N 1.46 0.63 0.32 -0.77 0.00 -1.26 -4.94 105.19 100.64 3kwh n GLY 643 Ca -0.12 -0.33 0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 0.14 0.00 1.61 4.64 -1.89 -3.45 113.55 114.59 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 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3kwh h SER 644 CO 0.00 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 3kwh n GLY 645 N -1.56 2.76 0.19 -0.77 0.00 -1.26 -4.86 105.19 99.69 3kwh n GLY 645 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 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 1.35 -2.95 1.61 2.07 -1.97 -3.44 116.25 112.92 3kwh h VAL 646 Ca 0.00 -1.85 -0.67 0.00 0.82 0.00 0.00 66.70 65.00 3kwh h VAL 646 Cb 0.00 1.86 -0.10 0.00 -1.52 0.00 0.00 31.29 31.53 3kwh h VAL 646 CO 0.00 0.56 -0.54 -0.36 0.02 0.00 0.00 177.57 177.24 3kwh s PHE 647 N -3.91 3.40 -0.15 1.57 0.40 -1.26 -4.65 117.98 113.38 3kwh s PHE 647 Ca -0.05 0.36 -0.16 0.00 -0.60 0.00 0.00 56.93 56.47 3kwh s PHE 647 Cb 0.12 -1.86 -0.24 0.00 0.51 0.00 0.00 43.02 41.55 3kwh s PHE 647 CO 0.81 0.61 0.40 -0.22 0.70 0.00 0.00 175.22 177.52 3kwh h LYS 648 N 4.91 0.15 -3.52 0.44 3.64 -1.71 -3.46 116.57 117.02 3kwh h LYS 648 Ca -0.53 -0.26 -0.07 0.00 -1.27 0.00 0.00 60.65 58.53 3kwh h LYS 648 Cb 1.21 0.10 -0.14 0.00 -0.41 0.00 0.00 32.23 32.99 3kwh h LYS 648 CO 0.57 1.12 -0.18 0.00 -2.27 0.00 0.00 179.45 178.69 3kwh s GLY 650 N -2.76 0.20 -0.12 0.00 0.00 -0.20 -1.37 107.32 103.06 3kwh s GLY 650 Ca 0.03 -0.55 -0.01 0.00 0.00 0.00 0.00 44.72 44.19 3kwh s GLY 650 CO -0.11 -0.53 -0.04 -0.42 0.00 0.00 0.00 173.10 172.01 3kwh s ILE 651 N -3.92 0.80 -0.29 0.90 1.01 -0.56 -1.87 121.20 117.26 3kwh s ILE 651 Ca 0.14 -0.27 -0.07 0.00 0.00 0.00 0.00 60.65 60.45 3kwh s ILE 651 Cb 0.01 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.54 3kwh s ILE 651 CO -0.01 0.22 0.07 0.00 0.00 0.00 0.00 174.94 175.23 3kwh s ALA 652 N 1.79 3.06 -0.20 9.38 0.00 -0.68 -2.08 121.76 133.03 3kwh s ALA 652 Ca 0.03 -1.40 -0.09 0.00 0.00 0.00 0.00 51.96 50.50 3kwh s ALA 652 Cb -0.14 -2.12 -0.05 0.00 0.00 0.00 0.00 23.12 20.82 3kwh s ALA 652 CO -0.07 -0.85 0.12 0.08 0.00 0.00 0.00 175.76 175.03 3kwh s VAL 653 N 1.51 5.21 -1.48 0.00 1.01 0.26 -1.97 120.40 124.94 3kwh s VAL 653 Ca 0.03 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 3kwh s VAL 653 Cb -0.17 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 32.85 3kwh s VAL 653 CO 0.02 0.42 0.39 0.00 0.00 0.00 0.00 175.10 175.93 3kwh n ALA 654 N 3.71 -1.90 -1.79 5.51 0.00 0.69 -1.40 120.51 125.33 3kwh n ALA 654 Ca -0.16 -0.26 -0.34 0.00 0.00 0.00 0.00 53.44 52.67 3kwh n ALA 654 Cb 0.52 -1.63 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 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 -6.78 3.69 0.35 0.00 0.04 -1.26 -3.48 135.00 127.56 3kwh s PRO 655 Ca 0.11 1.45 -0.26 0.00 0.04 0.00 0.00 61.00 62.35 3kwh s PRO 655 Cb -0.06 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 3kwh s PRO 655 CO 0.92 -0.54 1.06 0.08 0.04 0.00 0.00 177.00 178.56 3kwh s VAL 656 N -1.89 3.66 0.00 -0.36 1.01 -1.26 -4.48 120.40 117.08 3kwh s VAL 656 Ca 0.68 1.41 0.00 0.00 0.00 0.00 0.00 61.98 64.07 3kwh s VAL 656 Cb -0.19 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.39 3kwh s VAL 656 CO 0.23 0.14 0.12 -1.54 0.00 0.00 0.00 175.10 174.05 3kwh n SER 657 N 0.40 0.25 -3.42 3.32 3.41 -1.26 -4.36 113.62 111.96 3kwh n SER 657 Ca 0.03 -0.59 0.01 0.00 -0.26 0.00 0.00 58.87 58.07 3kwh n SER 657 Cb 0.48 0.57 -0.04 0.00 -0.26 0.00 0.00 64.21 64.96 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 -0.57 0.35 0.62 4.33 3.52 -1.26 -1.17 118.95 124.78 3kwh s ARG 658 Ca 0.00 0.86 0.34 0.00 -0.13 0.00 0.00 55.73 56.80 3kwh s ARG 658 Cb 0.00 0.51 1.94 0.00 -1.56 0.00 0.00 34.95 35.85 3kwh s ARG 658 CO 0.00 -0.16 2.21 -1.49 -0.81 0.00 0.00 175.30 175.05 3kwh h TRP 659 N 7.66 0.00 0.00 5.12 4.06 -1.86 0.30 115.95 131.24 3kwh h TRP 659 Ca -0.16 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.79 3kwh h TRP 659 Cb 1.12 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.28 3kwh h TRP 659 CO 0.18 0.00 0.00 0.93 -3.56 0.00 0.00 178.44 175.99 3kwh h GLU 660 N 0.00 0.00 0.00 0.49 5.08 -1.92 -2.91 114.58 115.31 3kwh h GLU 660 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3kwh h GLU 660 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3kwh h GLU 660 CO -0.00 0.00 -0.16 1.88 -1.00 0.00 0.00 179.01 179.73 3kwh h TYR 661 N 0.00 0.00 -2.57 4.33 0.05 -0.77 -3.29 116.97 114.72 3kwh h TYR 661 Ca 0.00 0.00 -0.45 0.00 0.05 0.00 0.00 58.73 58.33 3kwh h TYR 661 Cb 0.51 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.28 3kwh h TYR 661 CO 0.00 0.00 -0.11 -0.47 -1.05 0.00 0.00 178.16 176.53 3kwh s TYR 662 N -3.22 3.13 0.85 4.88 5.04 -1.10 -4.82 117.35 122.11 3kwh s TYR 662 Ca 0.06 0.12 -0.10 0.00 -2.44 0.00 0.00 57.07 54.71 3kwh s TYR 662 Cb 0.07 -2.37 0.10 0.00 0.35 0.00 0.00 41.96 40.11 3kwh s TYR 662 CO 0.68 -0.43 1.11 0.16 -1.34 0.00 0.00 175.55 175.74 3kwh s ASP 663 N -4.26 3.71 0.11 4.32 1.47 -1.26 -1.21 116.67 119.55 3kwh s ASP 663 Ca 0.50 1.96 -0.16 0.00 1.18 0.00 0.00 52.55 56.03 3kwh s ASP 663 Cb -0.10 -2.52 -0.05 0.00 -0.34 0.00 0.00 42.92 39.91 3kwh s ASP 663 CO 0.37 -2.57 1.53 0.77 0.68 0.00 0.00 175.17 175.95 3kwh h SER 664 N -1.50 0.64 0.58 2.11 4.64 -1.21 -2.82 113.55 115.99 3kwh h SER 664 Ca -0.44 -0.34 -0.03 0.00 -0.47 0.00 0.00 61.79 60.51 3kwh h SER 664 Cb 1.25 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 63.17 3kwh h SER 664 CO 0.47 0.83 -0.28 0.58 -0.87 0.00 0.00 176.83 177.56 3kwh h VAL 665 N 0.44 0.41 0.05 0.95 2.07 -1.94 -2.04 116.25 116.20 3kwh h VAL 665 Ca 0.09 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 3kwh h VAL 665 Cb 0.53 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3kwh h VAL 665 CO 0.03 0.02 -0.03 0.22 0.02 0.00 0.00 177.57 177.83 3kwh h TYR 666 N -0.85 -0.06 -0.11 1.57 5.03 -1.94 -2.91 116.97 117.70 3kwh h TYR 666 Ca -0.08 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.23 3kwh h TYR 666 Cb 0.62 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.92 3kwh h TYR 666 CO -0.02 0.14 0.06 1.15 -1.32 0.00 0.00 178.16 178.17 3kwh h THR 667 N -0.26 1.08 0.00 1.81 2.02 -1.54 -2.73 112.91 113.29 3kwh h THR 667 Ca -0.01 -0.21 -0.09 0.00 0.77 0.00 0.00 66.41 66.87 3kwh h THR 667 Cb 0.24 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3kwh h THR 667 CO 0.01 0.07 -0.45 -0.33 0.37 0.00 0.00 175.52 175.19 3kwh h GLU 668 N 0.09 0.00 -0.95 6.66 5.08 -1.45 0.26 114.58 124.28 3kwh h GLU 668 Ca 0.04 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.50 3kwh h GLU 668 Cb 0.06 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 3kwh h GLU 668 CO -0.01 0.45 0.61 -0.09 -1.00 0.00 0.00 179.01 178.97 3kwh h ARG 669 N 0.00 0.91 0.00 2.33 2.43 -1.27 0.28 114.38 119.06 3kwh h ARG 669 Ca -0.00 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 58.97 3kwh h ARG 669 Cb 0.89 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 3kwh h ARG 669 CO 0.06 0.60 -2.03 0.66 -1.51 0.00 0.00 179.97 177.75 3kwh n TYR 670 N -4.56 0.14 0.01 2.20 4.01 -0.82 -4.68 117.16 113.46 3kwh n TYR 670 Ca 0.17 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.95 3kwh n TYR 670 Cb 0.33 -0.75 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 -2.50 1.36 0.00 -0.72 2.81 0.87 0.68 117.12 119.61 3kwh n MET 671 Ca -0.14 -0.36 0.00 0.00 -1.81 0.00 0.00 57.70 55.39 3kwh n MET 671 Cb 0.79 -0.86 0.00 0.00 -0.71 0.00 0.00 33.22 32.45 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 0.30 -0.71 3.86 3.03 0.00 0.94 -4.65 105.19 107.96 3kwh n GLY 672 Ca 0.00 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 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 4.37 -1.41 0.99 1.43 -1.26 -4.30 118.68 118.50 3kwh s LEU 673 Ca 0.00 0.82 -0.08 0.00 -1.03 0.00 0.00 54.13 53.84 3kwh s LEU 673 Cb 0.00 -2.92 0.07 0.00 0.03 0.00 0.00 46.19 43.37 3kwh s LEU 673 CO 0.00 0.20 2.42 -0.81 0.23 0.00 0.00 176.35 178.39 3kwh n PRO 674 N 1.06 3.98 -4.41 1.29 -0.04 -1.26 -1.39 135.00 134.23 3kwh n PRO 674 Ca -0.09 -3.05 -0.25 0.00 -0.04 0.00 0.00 63.50 60.07 3kwh n PRO 674 Cb 0.52 -2.81 -0.11 0.00 -0.04 0.00 0.00 33.50 31.06 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 0.51 2.23 0.39 0.52 -4.23 -1.26 -4.65 115.64 109.14 3kwh s THR 675 Ca 0.54 -2.06 0.06 0.00 -1.18 0.00 0.00 61.69 59.06 3kwh s THR 675 Cb 0.16 -2.08 0.28 0.00 1.34 0.00 0.00 72.50 72.20 3kwh s THR 675 CO -0.06 -0.22 2.02 -0.65 -0.54 0.00 0.00 174.62 175.16 3kwh h PRO 676 N 3.06 0.64 -0.11 3.99 0.11 -1.96 0.22 132.00 137.96 3kwh h PRO 676 Ca -0.44 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.66 3kwh h PRO 676 Cb 1.22 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3kwh h PRO 676 CO 0.51 0.42 0.11 0.93 -0.21 0.00 0.00 178.00 179.76 3kwh h GLU 677 N 0.66 0.00 0.00 1.05 5.08 -1.95 -3.43 114.58 115.98 3kwh h GLU 677 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3kwh h GLU 677 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3kwh h GLU 677 CO -0.06 0.00 0.00 -3.47 -1.00 0.00 0.00 179.01 174.48 3kwh n ASP 678 N -3.99 0.00 -0.30 1.42 2.03 0.72 -5.03 116.55 111.41 3kwh n ASP 678 Ca -0.00 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.40 3kwh n ASP 678 Cb 0.22 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 40.79 3kwh n ASP 678 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3kwh n ASN 679 N 0.00 2.57 -0.33 1.67 4.05 -0.49 -4.82 115.26 117.91 3kwh n ASN 679 Ca 0.00 -3.17 0.13 0.00 0.45 0.00 0.00 54.58 51.99 3kwh n ASN 679 Cb 0.00 -0.47 0.32 0.00 1.23 0.00 0.00 39.78 40.87 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 0.44 0.64 -0.26 1.20 6.46 -1.53 -2.69 115.31 119.57 3kwh h LEU 680 Ca 0.01 0.12 0.03 0.00 -0.12 0.00 0.00 57.88 57.91 3kwh h LEU 680 Cb 1.10 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 41.02 3kwh h LEU 680 CO 0.05 0.17 0.09 0.44 -0.62 0.00 0.00 178.44 178.58 3kwh h ASP 681 N 0.63 0.11 0.18 1.25 3.32 -1.87 -1.86 116.42 118.18 3kwh h ASP 681 Ca 0.58 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.53 3kwh h ASP 681 Cb 0.98 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 3kwh h ASP 681 CO -0.43 0.10 -0.43 -0.74 -1.72 0.00 0.00 179.24 176.02 3kwh h HIS 682 N 0.21 0.38 -0.72 4.55 2.76 -1.86 0.41 115.15 120.88 3kwh h HIS 682 Ca 0.11 -0.11 0.07 0.00 -2.20 0.00 0.00 60.37 58.24 3kwh h HIS 682 Cb 0.07 -0.08 -0.06 0.00 1.55 0.00 0.00 27.41 28.89 3kwh h HIS 682 CO -0.12 0.70 0.40 1.88 -1.30 0.00 0.00 177.93 179.49 3kwh h TYR 683 N 0.26 0.73 -0.02 5.26 -1.99 -1.33 -0.84 116.97 119.05 3kwh h TYR 683 Ca 0.02 0.03 -0.19 0.00 2.00 0.00 0.00 58.73 60.59 3kwh h TYR 683 Cb 0.87 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 39.37 3kwh h TYR 683 CO 0.02 0.33 -0.82 0.00 -0.00 0.00 0.00 178.16 177.70 3kwh h ARG 684 N 0.72 0.22 -0.02 4.88 -0.00 -0.55 -3.24 114.38 116.40 3kwh h ARG 684 Ca 0.33 -0.22 0.00 0.00 -0.50 0.00 0.00 59.98 59.59 3kwh h ARG 684 Cb 0.24 0.06 0.00 0.00 0.00 0.00 0.00 29.97 30.26 3kwh h ARG 684 CO -0.20 0.92 0.00 0.09 0.00 0.00 0.00 179.97 180.78 3kwh n ASN 685 N -3.71 0.39 -1.41 7.04 4.13 0.14 -4.11 115.26 117.72 3kwh n ASN 685 Ca -0.03 -1.27 -0.03 0.00 1.68 0.00 0.00 54.58 54.92 3kwh n ASN 685 Cb 0.76 -0.01 0.11 0.00 -1.54 0.00 0.00 39.78 39.10 3kwh n ASN 685 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3kwh n SER 686 N -0.63 2.44 -4.91 6.41 3.41 -0.39 -5.03 113.62 114.92 3kwh n SER 686 Ca 0.20 -3.30 -0.27 0.00 -0.26 0.00 0.00 58.87 55.24 3kwh n SER 686 Cb 0.16 -0.43 -0.01 0.00 -0.26 0.00 0.00 64.21 63.67 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 -3.09 4.95 0.23 6.66 -4.23 -1.26 -4.77 115.64 114.13 3kwh s THR 687 Ca 0.40 0.08 0.09 0.00 -1.18 0.00 0.00 61.69 61.07 3kwh s THR 687 Cb 0.38 -3.85 -0.08 0.00 1.34 0.00 0.00 72.50 70.28 3kwh s THR 687 CO -0.05 -0.75 1.51 0.58 -0.54 0.00 0.00 174.62 175.36 3kwh h VAL 688 N 0.43 1.52 -0.96 2.29 2.07 -1.47 -3.31 116.25 116.81 3kwh h VAL 688 Ca -0.48 -2.49 0.09 0.00 0.82 0.00 0.00 66.70 64.65 3kwh h VAL 688 Cb 1.21 2.34 -0.07 0.00 -1.52 0.00 0.00 31.29 33.25 3kwh h VAL 688 CO 0.62 0.71 0.62 0.24 0.02 0.00 0.00 177.57 179.78 3kwh h MET 689 N 0.01 0.98 0.00 1.57 2.86 -1.91 -2.19 114.93 116.26 3kwh h MET 689 Ca -0.01 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3kwh h MET 689 Cb 1.30 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.73 3kwh h MET 689 CO 0.10 0.65 -0.05 0.66 1.06 0.00 0.00 176.91 179.33 3kwh h SER 690 N 1.01 0.00 -0.52 1.22 4.64 -1.93 -0.78 113.55 117.19 3kwh h SER 690 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 3kwh h SER 690 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3kwh h SER 690 CO -0.20 0.05 0.00 0.54 -0.87 0.00 0.00 176.83 176.34 3kwh n ARG 691 N -3.45 4.34 -0.30 4.77 1.74 -0.82 -4.61 116.66 118.33 3kwh n ARG 691 Ca -0.02 -3.05 0.10 0.00 -0.77 0.00 0.00 57.85 54.11 3kwh n ARG 691 Cb 0.17 -2.12 0.27 0.00 -1.02 0.00 0.00 32.46 29.76 3kwh n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kwh h ALA 692 N 3.57 1.39 -0.64 7.54 0.00 -1.16 -2.82 119.26 127.13 3kwh h ALA 692 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kwh h ALA 692 Cb 1.79 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.60 3kwh h ALA 692 CO 0.40 -0.20 0.42 0.93 0.00 0.00 0.00 179.25 180.80 3kwh h GLU 693 N 0.53 0.84 0.00 0.00 5.08 -1.85 -2.44 114.58 116.75 3kwh h GLU 693 Ca 0.52 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 3kwh h GLU 693 Cb 0.86 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3kwh h GLU 693 CO -0.44 0.56 0.00 0.09 -1.00 0.00 0.00 179.01 178.22 3kwh n ASN 694 N -4.44 0.20 0.04 1.42 3.02 -1.06 -2.67 115.26 111.77 3kwh n ASN 694 Ca 0.06 0.55 0.09 0.00 -0.03 0.00 0.00 54.58 55.26 3kwh n ASN 694 Cb 0.04 -0.59 0.40 0.00 -0.61 0.00 0.00 39.78 39.02 3kwh n ASN 694 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3kwh n PHE 695 N -1.72 0.27 0.27 3.10 3.01 -0.92 -2.17 117.46 119.30 3kwh n PHE 695 Ca 0.03 0.10 0.13 0.00 1.01 0.00 0.00 57.45 58.72 3kwh n PHE 695 Cb 0.18 -0.66 0.77 0.00 -0.01 0.00 0.00 39.48 39.76 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 -0.12 -1.08 2.10 -1.72 -2.48 116.57 113.28 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 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 3kwh h LYS 696 CO 0.00 0.09 0.00 1.04 -2.00 0.00 0.00 179.45 178.58 3kwh n GLN 697 N -3.65 1.29 -3.63 0.07 6.02 -0.92 -4.91 117.38 111.65 3kwh n GLN 697 Ca -0.02 -0.45 -0.11 0.00 -0.01 0.00 0.00 57.00 56.41 3kwh n GLN 697 Cb 0.21 -1.14 -0.05 0.00 1.02 0.00 0.00 30.24 30.27 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 -1.85 0.06 -0.29 5.09 -7.23 -0.94 -4.90 120.40 110.35 3kwh s VAL 698 Ca 0.13 -0.49 -0.19 0.00 -1.81 0.00 0.00 61.98 59.61 3kwh s VAL 698 Cb 0.06 -1.09 -0.02 0.00 0.56 0.00 0.00 36.38 35.90 3kwh s VAL 698 CO 0.09 -0.27 0.55 -1.61 -0.31 0.00 0.00 175.10 173.55 3kwh s GLU 699 N -3.35 3.94 -0.11 4.82 2.02 -0.82 -4.97 118.70 120.23 3kwh s GLU 699 Ca 0.00 0.24 0.03 0.00 0.02 0.00 0.00 54.97 55.26 3kwh s GLU 699 Cb 0.01 -3.70 0.01 0.00 0.10 0.00 0.00 34.13 30.55 3kwh s GLU 699 CO -0.09 -0.47 -0.20 -0.47 0.02 0.00 0.00 175.26 174.05 3kwh s TYR 700 N 2.42 2.38 -0.21 1.61 5.04 -1.26 -1.03 117.35 126.30 3kwh s TYR 700 Ca 0.22 -1.09 -0.04 0.00 -2.44 0.00 0.00 57.07 53.72 3kwh s TYR 700 Cb -0.15 -1.63 -0.01 0.00 0.35 0.00 0.00 41.96 40.51 3kwh s TYR 700 CO 0.11 -0.49 -0.04 -1.17 -1.34 0.00 0.00 175.55 172.62 3kwh s LEU 701 N 0.68 2.99 -0.17 6.97 2.96 -0.78 0.02 118.68 131.35 3kwh s LEU 701 Ca -0.12 -0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 53.45 3kwh s LEU 701 Cb -0.16 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 3kwh s LEU 701 CO 0.02 0.02 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.75 3kwh s LEU 702 N 1.23 2.71 0.05 -0.68 2.96 0.34 -1.69 118.68 123.60 3kwh s LEU 702 Ca 0.03 -0.39 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 3kwh s LEU 702 Cb -0.14 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 3kwh s LEU 702 CO -0.01 0.08 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.32 3kwh s ILE 703 N 0.86 1.18 -0.28 6.68 1.01 -0.83 -0.51 121.20 129.30 3kwh s ILE 703 Ca -0.03 -1.10 -0.22 0.00 0.00 0.00 0.00 60.65 59.30 3kwh s ILE 703 Cb -0.15 -1.07 0.12 0.00 0.01 0.00 0.00 42.46 41.37 3kwh s ILE 703 CO 0.00 -0.03 0.98 -2.28 0.00 0.00 0.00 174.94 173.62 3kwh s HIS 704 N -0.94 -0.54 0.32 3.97 2.46 -0.78 -0.22 115.29 119.55 3kwh s HIS 704 Ca 0.01 1.25 -0.21 0.00 0.47 0.00 0.00 55.06 56.58 3kwh s HIS 704 Cb -0.08 0.37 -0.09 0.00 -0.13 0.00 0.00 32.58 32.64 3kwh s HIS 704 CO 0.02 -0.26 0.84 0.20 -2.47 0.00 0.00 174.74 173.06 3kwh s GLY 705 N 0.57 2.56 0.30 1.59 0.00 -1.26 -1.80 107.32 109.27 3kwh s GLY 705 Ca -0.00 0.30 0.24 0.00 0.00 0.00 0.00 44.72 45.26 3kwh s GLY 705 CO -0.09 0.63 1.63 -0.91 0.00 0.00 0.00 173.10 174.37 3kwh h THR 706 N 2.35 0.00 -0.52 0.90 1.35 -1.18 -3.25 112.91 112.56 3kwh h THR 706 Ca -0.48 -0.72 -0.09 0.00 -0.55 0.00 0.00 66.41 64.57 3kwh h THR 706 Cb 1.19 1.66 -0.05 0.00 -1.73 0.00 0.00 68.15 69.22 3kwh h THR 706 CO 0.64 0.00 0.09 0.00 -0.25 0.00 0.00 175.52 176.00 3kwh n ALA 707 N -1.94 3.89 -1.94 6.62 0.00 -0.46 -4.72 120.51 121.96 3kwh n ALA 707 Ca 0.04 -2.30 -0.42 0.00 0.00 0.00 0.00 53.44 50.77 3kwh n ALA 707 Cb 0.48 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.38 5.63 0.00 0.00 -1.08 -1.21 -4.53 116.67 114.10 3kwh s ASP 708 Ca 0.50 1.16 0.28 0.00 -0.52 0.00 0.00 52.55 53.98 3kwh s ASP 708 Cb 0.40 -2.52 1.13 0.00 -1.46 0.00 0.00 42.92 40.47 3kwh s ASP 708 CO 0.12 -1.94 1.83 -0.90 0.52 0.00 0.00 175.17 174.79 3kwh n ASP 709 N 11.27 0.22 -0.00 -0.34 5.75 -1.26 -4.01 116.55 128.18 3kwh n ASP 709 Ca 0.24 -0.02 -0.00 0.00 -0.01 0.00 0.00 54.79 55.00 3kwh n ASP 709 Cb 0.48 -0.21 -0.00 0.00 -1.03 0.00 0.00 41.12 40.36 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 -1.33 0.09 -4.26 -1.12 4.05 -1.26 -4.80 115.26 106.63 3kwh n ASN 710 Ca 0.10 0.06 -0.43 0.00 0.45 0.00 0.00 54.58 54.75 3kwh n ASN 710 Cb 0.31 -0.51 -0.07 0.00 1.23 0.00 0.00 39.78 40.74 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 -1.08 4.69 0.40 3.44 1.01 -1.26 -4.80 120.40 122.81 3kwh s VAL 711 Ca -0.01 -1.65 -0.27 0.00 0.00 0.00 0.00 61.98 60.05 3kwh s VAL 711 Cb 0.00 -4.05 -0.10 0.00 0.00 0.00 0.00 36.38 32.23 3kwh s VAL 711 CO 0.02 -0.82 1.47 -1.00 0.00 0.00 0.00 175.10 174.76 3kwh s HIS 712 N 1.48 2.55 0.40 5.22 3.76 -1.26 -4.78 115.29 122.66 3kwh s HIS 712 Ca 0.04 1.20 0.21 0.00 -0.15 0.00 0.00 55.06 56.37 3kwh s HIS 712 Cb -0.28 -3.99 1.21 0.00 1.11 0.00 0.00 32.58 30.63 3kwh s HIS 712 CO 0.01 -2.96 1.69 0.35 -0.85 0.00 0.00 174.74 172.98 3kwh h PHE 713 N 2.80 0.69 -1.06 1.40 3.57 -1.79 0.50 116.94 123.05 3kwh h PHE 713 Ca -0.51 0.03 0.41 0.00 3.53 0.00 0.00 57.97 61.43 3kwh h PHE 713 Cb 1.25 -0.19 -0.17 0.00 2.79 0.00 0.00 35.95 39.63 3kwh h PHE 713 CO 0.52 -0.10 0.60 0.37 -2.23 0.00 0.00 178.31 177.48 3kwh h GLN 714 N 0.27 0.05 -0.11 1.11 4.15 -1.94 0.88 115.11 119.52 3kwh h GLN 714 Ca 0.71 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 60.14 3kwh h GLN 714 Cb 1.92 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.59 3kwh h GLN 714 CO -0.43 0.03 0.04 1.96 -1.93 0.00 0.00 178.83 178.51 3kwh h GLN 715 N 0.05 0.10 0.00 1.69 4.20 -0.31 0.15 115.11 120.99 3kwh h GLN 715 Ca 0.84 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 59.43 3kwh h GLN 715 Cb 2.25 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.99 3kwh h GLN 715 CO -0.69 0.06 -0.51 0.77 -0.67 0.00 0.00 178.83 177.79 3kwh h SER 716 N 0.10 0.00 -0.28 1.46 0.02 -1.07 -2.79 113.55 110.99 3kwh h SER 716 Ca 0.05 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3kwh h SER 716 Cb 0.02 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3kwh h SER 716 CO -0.04 0.51 0.07 0.00 -1.14 0.00 0.00 176.83 176.23 3kwh h ALA 717 N 1.49 1.47 0.00 3.77 0.00 0.04 -0.52 119.26 125.50 3kwh h ALA 717 Ca -0.01 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 3kwh h ALA 717 Cb 1.22 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3kwh h ALA 717 CO 0.07 0.39 -0.61 1.96 0.00 0.00 0.00 179.25 181.06 3kwh h GLN 718 N 0.52 0.00 -0.53 0.00 1.08 -0.49 -2.84 115.11 112.84 3kwh h GLN 718 Ca 0.12 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.25 3kwh h GLN 718 Cb 0.22 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 3kwh h GLN 718 CO -0.00 0.61 0.06 0.82 -0.95 0.00 0.00 178.83 179.37 3kwh h ILE 719 N 0.00 1.26 -0.28 2.54 2.04 -0.89 -1.73 117.51 120.44 3kwh h ILE 719 Ca -0.01 -1.00 -0.15 0.00 1.00 0.00 0.00 64.86 64.70 3kwh h ILE 719 Cb 1.34 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 3kwh h ILE 719 CO 0.08 0.36 -0.43 0.77 0.00 0.00 0.00 178.15 178.93 3kwh h SER 720 N 0.78 0.86 -0.63 1.72 4.64 -1.44 -0.95 113.55 118.53 3kwh h SER 720 Ca 0.16 -0.51 -0.01 0.00 -0.47 0.00 0.00 61.79 60.95 3kwh h SER 720 Cb 0.44 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 3kwh h SER 720 CO 0.02 1.21 0.37 0.50 -0.87 0.00 0.00 176.83 178.05 3kwh h LYS 721 N 0.54 0.89 -0.15 4.77 3.64 -1.37 0.17 116.57 125.06 3kwh h LYS 721 Ca 0.03 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.23 3kwh h LYS 721 Cb 1.02 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.66 3kwh h LYS 721 CO 0.10 0.64 -0.24 0.00 -2.27 0.00 0.00 179.45 177.68 3kwh h ALA 722 N 1.50 0.24 -0.38 5.00 0.00 -1.12 -1.13 119.26 123.37 3kwh h ALA 722 Ca 0.23 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.80 3kwh h ALA 722 Cb 0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3kwh h ALA 722 CO -0.04 0.21 0.17 -0.07 0.00 0.00 0.00 179.25 179.51 3kwh h LEU 723 N 0.06 0.22 -0.77 0.00 3.38 -0.64 -2.66 115.31 114.91 3kwh h LEU 723 Ca 0.01 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3kwh h LEU 723 Cb 0.81 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 3kwh h LEU 723 CO 0.06 0.17 0.51 0.58 0.09 0.00 0.00 178.44 179.84 3kwh h VAL 724 N 0.35 1.19 -0.00 1.22 2.07 -0.56 -1.74 116.25 118.77 3kwh h VAL 724 Ca 0.17 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3kwh h VAL 724 Cb 0.11 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 3kwh h VAL 724 CO -0.14 0.19 0.01 0.44 0.02 0.00 0.00 177.57 178.09 3kwh h ASP 725 N 1.03 0.00 -0.01 0.57 3.32 -0.84 -1.90 116.42 118.60 3kwh h ASP 725 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3kwh h ASP 725 Cb -0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3kwh h ASP 725 CO -0.06 0.00 -0.14 0.55 -1.72 0.00 0.00 179.24 177.87 3kwh n VAL 726 N -3.49 0.00 -2.33 -1.35 3.14 -0.73 -5.01 118.33 108.56 3kwh n VAL 726 Ca -0.03 -0.43 -0.02 0.00 -2.96 0.00 0.00 64.34 60.90 3kwh n VAL 726 Cb 0.09 1.21 0.00 0.00 -1.06 0.00 0.00 33.84 34.08 3kwh n VAL 726 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kwh n GLY 727 N 0.88 0.59 3.62 7.55 0.00 -0.71 -5.03 105.19 112.09 3kwh n GLY 727 Ca 0.06 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.59 4.78 0.31 1.61 1.01 -1.06 -5.05 120.40 119.40 3kwh s VAL 728 Ca 0.03 -0.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.79 3kwh s VAL 728 Cb -0.01 -3.16 -0.09 0.00 0.00 0.00 0.00 36.38 33.12 3kwh s VAL 728 CO 0.03 0.45 0.78 -0.62 0.00 0.00 0.00 175.10 175.74 3kwh s ASP 729 N 0.46 6.93 0.23 3.32 2.15 -1.26 -4.58 116.67 123.91 3kwh s ASP 729 Ca 0.03 1.42 -0.22 0.00 0.43 0.00 0.00 52.55 54.21 3kwh s ASP 729 Cb -0.13 -2.42 0.05 0.00 -0.30 0.00 0.00 42.92 40.12 3kwh s ASP 729 CO 0.01 -0.14 0.88 0.72 -0.17 0.00 0.00 175.17 176.46 3kwh s PHE 730 N -1.84 -0.07 0.20 -5.34 -0.71 -1.26 -4.79 117.98 104.17 3kwh s PHE 730 Ca 0.51 -0.35 0.07 0.00 -1.04 0.00 0.00 56.93 56.12 3kwh s PHE 730 Cb -0.13 0.70 -0.04 0.00 -1.21 0.00 0.00 43.02 42.35 3kwh s PHE 730 CO 0.18 -1.08 0.06 -0.65 -1.34 0.00 0.00 175.22 172.40 3kwh s GLN 731 N -3.12 2.58 0.07 1.99 -1.52 0.10 -5.02 119.66 114.75 3kwh s GLN 731 Ca 0.14 -1.10 -0.06 0.00 -1.95 0.00 0.00 55.36 52.39 3kwh s GLN 731 Cb -0.03 -2.42 -0.02 0.00 -0.22 0.00 0.00 33.01 30.32 3kwh s GLN 731 CO 0.06 0.44 0.11 0.00 -0.25 0.00 0.00 175.29 175.64 3kwh s ALA 732 N -1.91 0.04 -0.27 6.09 0.00 -1.26 -0.50 121.76 123.94 3kwh s ALA 732 Ca 0.30 -0.82 -0.08 0.00 0.00 0.00 0.00 51.96 51.36 3kwh s ALA 732 Cb -0.09 0.39 0.12 0.00 0.00 0.00 0.00 23.12 23.55 3kwh s ALA 732 CO 0.21 -0.45 0.58 -1.64 0.00 0.00 0.00 175.76 174.46 3kwh s MET 733 N -3.79 0.50 -0.02 0.00 -1.94 0.33 -4.89 119.30 109.48 3kwh s MET 733 Ca 0.05 1.29 -0.03 0.00 -1.71 0.00 0.00 55.69 55.29 3kwh s MET 733 Cb 0.06 0.67 -0.04 0.00 2.01 0.00 0.00 34.83 37.53 3kwh s MET 733 CO -0.10 -0.25 0.14 1.67 -0.01 0.00 0.00 175.02 176.47 3kwh s TRP 734 N 2.81 3.47 -0.35 -0.03 -2.14 -1.26 -1.86 118.94 119.57 3kwh s TRP 734 Ca -0.03 0.33 -0.03 0.00 2.66 0.00 0.00 56.10 59.03 3kwh s TRP 734 Cb -0.12 -1.81 0.07 0.00 -3.10 0.00 0.00 33.47 28.51 3kwh s TRP 734 CO -0.17 0.63 0.11 0.71 -2.66 0.00 0.00 176.95 175.56 3kwh s TYR 735 N -1.24 3.40 0.15 1.66 2.02 -0.74 -4.93 117.35 117.67 3kwh s TYR 735 Ca 0.24 -2.02 -0.34 0.00 -0.37 0.00 0.00 57.07 54.58 3kwh s TYR 735 Cb -0.12 -2.61 -0.14 0.00 -0.40 0.00 0.00 41.96 38.69 3kwh s TYR 735 CO 0.15 -0.86 1.57 2.41 -1.57 0.00 0.00 175.55 177.25 3kwh n THR 736 N 4.65 0.01 -0.78 -0.71 -1.04 -1.26 -1.41 114.28 113.73 3kwh n THR 736 Ca -0.08 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 3kwh n THR 736 Cb 0.43 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 3kwh n THR 736 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3kwh n ASP 737 N 3.41 -1.01 -4.89 8.00 8.00 -1.26 -4.84 116.55 123.96 3kwh n ASP 737 Ca 0.17 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.38 3kwh n ASP 737 Cb 0.28 -1.59 -0.03 0.00 -0.02 0.00 0.00 41.12 39.77 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 -0.69 3.69 0.00 -1.24 0.41 -1.05 -4.63 118.70 115.19 3kwh s GLU 738 Ca 0.00 0.23 0.00 0.00 -0.41 0.00 0.00 54.97 54.79 3kwh s GLU 738 Cb 0.00 -2.50 0.00 0.00 -1.78 0.00 0.00 34.13 29.85 3kwh s GLU 738 CO 0.00 0.05 0.00 -0.40 -0.49 0.00 0.00 175.26 174.42 3kwh n ASP 739 N -1.29 0.42 0.27 -0.19 5.68 -1.26 -1.36 116.55 118.81 3kwh n ASP 739 Ca 0.00 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.41 3kwh n ASP 739 Cb 0.54 0.00 0.76 0.00 -1.14 0.00 0.00 41.12 41.28 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 -2.41 115.15 112.93 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 0.00 -0.70 0.41 -0.00 0.00 0.00 177.93 177.64 3kwh n GLY 741 N -1.45 -1.22 4.33 5.26 0.00 -1.26 -4.95 105.19 105.89 3kwh n GLY 741 Ca -0.02 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.65 -0.90 1.03 -0.61 5.41 -0.91 -4.84 119.36 116.89 3kwh n ILE 742 Ca 0.04 -0.45 0.12 0.00 1.00 0.00 0.00 62.75 63.46 3kwh n ILE 742 Cb 0.37 -0.95 0.10 0.00 -0.71 0.00 0.00 39.64 38.45 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 -4.51 2.73 -1.77 -1.39 0.00 -1.26 -3.57 120.51 110.73 3kwh n ALA 743 Ca -0.29 -0.66 -0.40 0.00 0.00 0.00 0.00 53.44 52.09 3kwh n ALA 743 Cb 0.67 -0.83 0.02 0.00 0.00 0.00 0.00 19.45 19.31 3kwh n ALA 743 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3kwh s SER 744 N -2.12 5.91 0.16 0.00 1.04 -1.26 -4.70 113.70 112.73 3kwh s SER 744 Ca 0.26 2.90 -0.28 0.00 0.48 0.00 0.00 55.95 59.32 3kwh s SER 744 Cb 0.20 -2.65 -0.01 0.00 0.10 0.00 0.00 66.02 63.66 3kwh s SER 744 CO 0.37 -1.15 1.56 -1.28 0.98 0.00 0.00 173.24 173.71 3kwh h SER 745 N 2.35 -1.66 -0.15 7.02 0.87 -1.99 -0.49 113.55 119.50 3kwh h SER 745 Ca -0.51 0.26 -0.07 0.00 -1.23 0.00 0.00 61.79 60.24 3kwh h SER 745 Cb 1.26 0.73 -0.02 0.00 -0.44 0.00 0.00 62.40 63.94 3kwh h SER 745 CO 0.61 -0.34 -0.11 0.71 -0.53 0.00 0.00 176.83 177.17 3kwh h THR 746 N -0.24 1.23 -0.29 2.23 1.35 -1.97 -1.91 112.91 113.30 3kwh h THR 746 Ca 0.16 -1.00 -0.05 0.00 -0.55 0.00 0.00 66.41 64.96 3kwh h THR 746 Cb 0.56 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 3kwh h THR 746 CO -0.70 0.33 -0.02 0.00 -0.25 0.00 0.00 175.52 174.88 3kwh h ALA 747 N 1.41 0.40 -0.18 6.62 0.00 -1.72 -1.48 119.26 124.32 3kwh h ALA 747 Ca 0.09 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3kwh h ALA 747 Cb 0.48 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3kwh h ALA 747 CO 0.03 0.17 -0.19 1.25 0.00 0.00 0.00 179.25 180.51 3kwh h HIS 748 N 0.32 -0.48 -0.68 0.00 2.76 -0.74 0.17 115.15 116.50 3kwh h HIS 748 Ca 0.08 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 3kwh h HIS 748 Cb 0.47 0.24 -0.03 0.00 1.55 0.00 0.00 27.41 29.63 3kwh h HIS 748 CO 0.04 -0.26 0.44 1.96 -1.30 0.00 0.00 177.93 178.81 3kwh h GLN 749 N -0.21 0.89 -0.01 5.26 4.20 -1.23 -2.81 115.11 121.20 3kwh h GLN 749 Ca 0.12 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 3kwh h GLN 749 Cb 0.38 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.96 3kwh h GLN 749 CO -0.30 0.60 -0.04 1.25 -0.67 0.00 0.00 178.83 179.67 3kwh h HIS 750 N 0.92 0.07 -0.40 2.96 2.76 -0.11 -1.10 115.15 120.24 3kwh h HIS 750 Ca 0.25 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.39 3kwh h HIS 750 Cb -0.09 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 3kwh h HIS 750 CO 0.00 0.64 0.23 0.97 -1.30 0.00 0.00 177.93 178.47 3kwh h ILE 751 N -0.53 1.14 0.00 6.26 2.10 -0.71 0.37 117.51 126.15 3kwh h ILE 751 Ca -0.00 -0.36 -0.05 0.00 1.08 0.00 0.00 64.86 65.54 3kwh h ILE 751 Cb 0.64 0.65 -0.01 0.00 -1.09 0.00 0.00 36.82 37.02 3kwh h ILE 751 CO 0.01 0.15 -0.23 1.88 -1.08 0.00 0.00 178.15 178.88 3kwh h TYR 752 N 0.52 0.00 -0.17 2.19 0.05 -1.55 0.10 116.97 118.12 3kwh h TYR 752 Ca 0.14 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.82 3kwh h TYR 752 Cb 0.03 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.77 3kwh h TYR 752 CO -0.03 0.23 -0.28 1.15 -1.05 0.00 0.00 178.16 178.18 3kwh h THR 753 N 0.00 1.35 -0.81 -2.88 2.02 -0.21 -2.30 112.91 110.08 3kwh h THR 753 Ca -0.00 -1.52 -0.03 0.00 0.77 0.00 0.00 66.41 65.63 3kwh h THR 753 Cb 0.60 1.92 -0.04 0.00 -1.74 0.00 0.00 68.15 68.90 3kwh h THR 753 CO 0.03 0.46 0.38 -0.74 0.37 0.00 0.00 175.52 176.01 3kwh h HIS 754 N 0.12 1.18 -0.00 3.16 -0.00 0.14 -2.33 115.15 117.41 3kwh h HIS 754 Ca 0.01 -0.06 -0.16 0.00 -0.00 0.00 0.00 60.37 60.16 3kwh h HIS 754 Cb 0.86 -0.36 -0.02 0.00 -0.00 0.00 0.00 27.41 27.89 3kwh h HIS 754 CO 0.09 0.86 -0.75 0.52 -0.00 0.00 0.00 177.93 178.65 3kwh h MET 755 N 1.15 0.04 -0.39 5.26 2.07 -0.89 -2.83 114.93 119.35 3kwh h MET 755 Ca 0.28 -0.04 -0.05 0.00 -2.07 0.00 0.00 59.70 57.82 3kwh h MET 755 Cb 0.14 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.87 3kwh h MET 755 CO -0.03 0.77 0.05 0.77 1.07 0.00 0.00 176.91 179.54 3kwh h SER 756 N 0.03 0.62 -0.35 1.22 0.02 -0.92 -0.23 113.55 113.94 3kwh h SER 756 Ca -0.01 -0.27 0.07 0.00 -0.84 0.00 0.00 61.79 60.74 3kwh h SER 756 Cb 1.33 -0.17 -0.07 0.00 0.14 0.00 0.00 62.40 63.63 3kwh h SER 756 CO 0.10 0.73 -0.09 0.45 -1.14 0.00 0.00 176.83 176.88 3kwh h HIS 757 N 0.49 -0.20 -0.34 3.45 3.86 -1.40 -0.08 115.15 120.92 3kwh h HIS 757 Ca 0.12 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.38 3kwh h HIS 757 Cb 0.38 0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.97 3kwh h HIS 757 CO 0.03 -0.16 0.17 0.35 0.86 0.00 0.00 177.93 179.18 3kwh h PHE 758 N -0.01 0.31 -0.22 2.45 3.57 -1.28 -0.67 116.94 121.10 3kwh h PHE 758 Ca 0.17 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.52 3kwh h PHE 758 Cb 0.27 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.92 3kwh h PHE 758 CO -0.33 0.17 -0.48 0.82 -2.23 0.00 0.00 178.31 176.26 3kwh h ILE 759 N 0.35 1.31 -0.51 1.41 2.04 -0.73 -0.71 117.51 120.68 3kwh h ILE 759 Ca 0.14 -1.70 0.08 0.00 1.00 0.00 0.00 64.86 64.39 3kwh h ILE 759 Cb 0.06 1.82 -0.07 0.00 -0.74 0.00 0.00 36.82 37.89 3kwh h ILE 759 CO -0.10 0.54 0.13 0.11 0.00 0.00 0.00 178.15 178.82 3kwh h LYS 760 N 0.42 0.27 -0.02 2.37 1.57 -0.79 0.45 116.57 120.84 3kwh h LYS 760 Ca 0.00 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 3kwh h LYS 760 Cb 1.09 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 3kwh h LYS 760 CO 0.11 0.18 -0.63 -0.56 -0.57 0.00 0.00 179.45 177.98 3kwh h GLN 761 N 0.27 0.07 0.00 3.15 -0.00 -1.00 -0.18 115.11 117.42 3kwh h GLN 761 Ca 0.25 -0.05 -0.05 0.00 -0.00 0.00 0.00 58.65 58.80 3kwh h GLN 761 Cb 0.32 0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 27.81 3kwh h GLN 761 CO -0.31 0.68 -0.23 0.00 -0.00 0.00 0.00 178.83 178.97 3kwh n PHE 763 N -4.23 1.45 -4.11 0.00 3.72 -0.03 -4.95 117.46 109.32 3kwh n PHE 763 Ca -0.02 -0.63 -0.33 0.00 -0.05 0.00 0.00 57.45 56.42 3kwh n PHE 763 Cb 0.29 -0.25 -0.01 0.00 -0.94 0.00 0.00 39.48 38.56 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 0.98 -3.20 -4.50 4.37 7.64 -0.62 -4.94 113.62 113.35 3kwh n SER 764 Ca 0.25 -0.95 -0.36 0.00 1.01 0.00 0.00 58.87 58.82 3kwh n SER 764 Cb 0.89 -3.08 -0.12 0.00 -1.01 0.00 0.00 64.21 60.90 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 -7.22 3.58 0.00 -3.43 1.43 -0.18 -5.03 118.68 107.82 3kwh s LEU 765 Ca 0.61 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.62 3kwh s LEU 765 Cb -0.32 -1.95 0.22 0.00 0.03 0.00 0.00 46.19 44.16 3kwh s LEU 765 CO 0.90 0.02 0.70 -2.65 0.23 0.00 0.00 176.35 175.54