#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0c n ARG 40 N 0.00 1.11 -1.65 -1.46 0.00 -1.26 -5.14 116.66 108.26 3h0c n ARG 40 Ca 0.00 -2.44 -0.32 0.00 -0.00 0.00 0.00 57.85 55.09 3h0c n ARG 40 Cb 0.00 0.55 0.05 0.00 -0.00 0.00 0.00 32.46 33.06 3h0c n ARG 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 3h0c s LYS 41 N -3.31 2.72 0.33 2.89 -2.85 -1.25 -4.70 119.74 113.58 3h0c s LYS 41 Ca 0.06 1.29 0.06 0.00 -1.00 0.00 0.00 55.97 56.38 3h0c s LYS 41 Cb -0.00 -1.95 -0.01 0.00 -2.06 0.00 0.00 37.83 33.81 3h0c s LYS 41 CO 0.04 -1.30 0.47 -0.08 0.10 0.00 0.00 175.35 174.58 3h0c s THR 42 N -2.53 4.12 -0.62 3.79 -1.32 -1.26 -0.39 115.64 117.43 3h0c s THR 42 Ca 0.65 -0.99 -0.28 0.00 -1.21 0.00 0.00 61.69 59.86 3h0c s THR 42 Cb -0.19 -3.43 0.03 0.00 -1.51 0.00 0.00 72.50 67.40 3h0c s THR 42 CO 0.45 -0.17 1.20 -0.47 -2.21 0.00 0.00 174.62 173.43 3h0c s TYR 43 N -2.17 2.54 0.69 9.09 5.04 -1.26 -4.83 117.35 126.44 3h0c s TYR 43 Ca 0.45 0.27 -0.10 0.00 -2.44 0.00 0.00 57.07 55.25 3h0c s TYR 43 Cb -0.10 -4.52 0.02 0.00 0.35 0.00 0.00 41.96 37.72 3h0c s TYR 43 CO 0.31 -1.69 1.05 0.95 -1.34 0.00 0.00 175.55 174.83 3h0c s THR 44 N 5.08 3.27 0.21 4.34 -4.23 -1.26 -4.19 115.64 118.85 3h0c s THR 44 Ca 0.40 0.26 -0.10 0.00 -1.18 0.00 0.00 61.69 61.06 3h0c s THR 44 Cb -0.08 -3.38 0.15 0.00 1.34 0.00 0.00 72.50 70.53 3h0c s THR 44 CO 0.22 -0.47 1.86 0.25 -0.54 0.00 0.00 174.62 175.95 3h0c h LEU 45 N -0.58 0.87 -1.34 4.79 5.85 -1.95 -1.95 115.31 121.01 3h0c h LEU 45 Ca -0.45 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.27 3h0c h LEU 45 Cb 1.27 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 3h0c h LEU 45 CO 0.63 0.65 0.48 0.74 -0.34 0.00 0.00 178.44 180.60 3h0c h THR 46 N 1.01 1.08 0.10 1.05 2.02 -1.98 -0.70 112.91 115.50 3h0c h THR 46 Ca 0.27 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 3h0c h THR 46 Cb -0.08 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 3h0c h THR 46 CO -0.05 0.15 -0.05 0.44 0.37 0.00 0.00 175.52 176.38 3h0c h ASP 47 N 0.84 -0.11 0.15 4.18 3.32 -1.73 0.46 116.42 123.52 3h0c h ASP 47 Ca 0.30 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.32 3h0c h ASP 47 Cb 0.13 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 3h0c h ASP 47 CO -0.09 -0.03 -0.24 0.22 -1.72 0.00 0.00 179.24 177.38 3h0c h TYR 48 N -0.19 -0.63 -0.34 4.55 3.20 -1.22 -1.20 116.97 121.13 3h0c h TYR 48 Ca -0.01 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 3h0c h TYR 48 Cb 0.16 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 3h0c h TYR 48 CO -0.05 -0.34 -0.11 -0.07 -1.64 0.00 0.00 178.16 175.95 3h0c h LEU 49 N -0.46 0.68 -0.44 2.82 4.07 -0.99 -3.15 115.31 117.84 3h0c h LEU 49 Ca 0.02 -0.38 0.00 0.00 0.08 0.00 0.00 57.88 57.60 3h0c h LEU 49 Cb 0.47 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.02 3h0c h LEU 49 CO -0.11 0.90 -0.25 0.29 -1.08 0.00 0.00 178.44 178.19 3h0c n LYS 50 N -4.40 0.77 -2.89 1.13 4.76 0.16 -4.97 118.16 112.73 3h0c n LYS 50 Ca -0.02 -0.44 -0.12 0.00 -2.87 0.00 0.00 58.31 54.86 3h0c n LYS 50 Cb 0.36 -1.49 0.03 0.00 -1.84 0.00 0.00 35.03 32.09 3h0c n LYS 50 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3h0c n ASN 51 N -0.73 -4.09 -0.30 4.39 2.85 -0.52 -4.95 115.26 111.90 3h0c n ASN 51 Ca 0.12 -0.22 0.12 0.00 -0.11 0.00 0.00 54.58 54.49 3h0c n ASN 51 Cb 0.34 -2.79 0.28 0.00 1.24 0.00 0.00 39.78 38.85 3h0c n ASN 51 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 3h0c h THR 52 N -1.10 0.50 -3.76 -0.44 2.02 -1.64 -3.36 112.91 105.12 3h0c h THR 52 Ca -0.28 -0.14 -0.68 0.00 0.77 0.00 0.00 66.41 66.08 3h0c h THR 52 Cb 1.19 0.06 -0.34 0.00 -1.74 0.00 0.00 68.15 67.32 3h0c h THR 52 CO 0.29 0.07 -0.71 -0.31 0.37 0.00 0.00 175.52 175.23 3h0c s TYR 53 N -5.91 3.31 -0.19 3.16 2.02 -1.26 -5.09 117.35 113.39 3h0c s TYR 53 Ca -0.12 -2.04 -0.09 0.00 -0.37 0.00 0.00 57.07 54.45 3h0c s TYR 53 Cb 0.24 -2.20 -0.05 0.00 -0.40 0.00 0.00 41.96 39.56 3h0c s TYR 53 CO 0.78 -0.84 0.11 0.50 -1.57 0.00 0.00 175.55 174.53 3h0c s ARG 54 N 1.20 4.04 0.02 -0.62 3.52 -1.26 -5.07 118.95 120.78 3h0c s ARG 54 Ca -0.04 -0.25 -0.30 0.00 -0.13 0.00 0.00 55.73 55.01 3h0c s ARG 54 Cb -0.20 -3.33 -0.05 0.00 -1.56 0.00 0.00 34.95 29.81 3h0c s ARG 54 CO -0.02 0.34 1.18 -0.51 -0.81 0.00 0.00 175.30 175.48 3h0c s LEU 55 N 0.21 4.34 0.37 -0.88 1.43 -1.26 -4.88 118.68 118.01 3h0c s LEU 55 Ca 0.07 1.91 -0.25 0.00 -1.03 0.00 0.00 54.13 54.84 3h0c s LEU 55 Cb -0.11 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.44 3h0c s LEU 55 CO -0.01 -0.49 1.01 -0.54 0.23 0.00 0.00 176.35 176.56 3h0c s LYS 56 N 1.45 4.33 0.51 1.70 -0.14 -1.26 -5.08 119.74 121.24 3h0c s LYS 56 Ca 0.57 1.44 0.02 0.00 -1.36 0.00 0.00 55.97 56.64 3h0c s LYS 56 Cb -0.27 -2.63 -0.01 0.00 -1.68 0.00 0.00 37.83 33.24 3h0c s LYS 56 CO 0.27 0.02 0.06 -0.51 -0.76 0.00 0.00 175.35 174.42 3h0c s LEU 57 N -2.43 2.37 -0.42 3.17 1.02 -1.26 -4.93 118.68 116.20 3h0c s LEU 57 Ca 0.55 -1.59 0.04 0.00 0.02 0.00 0.00 54.13 53.15 3h0c s LEU 57 Cb -0.20 -0.80 0.17 0.00 0.02 0.00 0.00 46.19 45.37 3h0c s LEU 57 CO 0.26 -0.87 0.33 -0.47 0.02 0.00 0.00 176.35 175.62 3h0c s TYR 58 N -2.86 1.16 -0.64 0.29 6.14 -1.26 -4.98 117.35 115.20 3h0c s TYR 58 Ca 0.10 -2.31 -0.24 0.00 0.64 0.00 0.00 57.07 55.26 3h0c s TYR 58 Cb 0.01 -0.99 0.06 0.00 0.42 0.00 0.00 41.96 41.46 3h0c s TYR 58 CO 0.06 -0.82 1.01 -1.12 0.64 0.00 0.00 175.55 175.33 3h0c s SER 59 N 0.08 6.22 0.23 4.32 0.01 -1.26 -5.01 113.70 118.29 3h0c s SER 59 Ca 0.31 -0.72 0.07 0.00 1.31 0.00 0.00 55.95 56.92 3h0c s SER 59 Cb 0.01 -2.45 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 3h0c s SER 59 CO -0.18 -1.45 0.16 -1.48 0.41 0.00 0.00 173.24 170.70 3h0c s LEU 60 N 4.33 3.75 -0.28 2.44 2.34 -1.26 -4.54 118.68 125.45 3h0c s LEU 60 Ca 0.27 -0.26 -0.01 0.00 0.06 0.00 0.00 54.13 54.19 3h0c s LEU 60 Cb -0.14 -2.31 0.09 0.00 -0.56 0.00 0.00 46.19 43.27 3h0c s LEU 60 CO 0.14 -0.01 0.07 -0.13 -1.06 0.00 0.00 176.35 175.36 3h0c s ARG 61 N -3.65 0.82 0.28 1.48 0.52 0.14 -4.93 118.95 113.61 3h0c s ARG 61 Ca 0.32 -0.98 -0.30 0.00 -0.52 0.00 0.00 55.73 54.25 3h0c s ARG 61 Cb -0.08 -2.11 -0.12 0.00 0.52 0.00 0.00 34.95 33.15 3h0c s ARG 61 CO 0.24 -0.89 1.61 0.91 0.02 0.00 0.00 175.30 177.19 3h0c n TRP 62 N 4.84 2.80 -0.09 -0.53 7.02 -1.26 -0.27 117.44 129.95 3h0c n TRP 62 Ca -0.04 0.23 0.00 0.00 -1.02 0.00 0.00 57.50 56.67 3h0c n TRP 62 Cb 0.43 -2.60 0.00 0.00 -2.42 0.00 0.00 31.31 26.72 3h0c n TRP 62 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 3h0c n ILE 63 N 2.44 0.00 -1.98 -0.99 -5.35 -0.44 -4.90 119.36 108.15 3h0c n ILE 63 Ca 0.10 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 3h0c n ILE 63 Cb 0.36 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 39.35 3h0c n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3h0c n SER 64 N -0.40 0.00 0.08 7.28 3.41 -1.21 -4.98 113.62 117.79 3h0c n SER 64 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 3h0c n SER 64 Cb 0.02 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.26 3h0c n SER 64 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3h0c n ASP 65 N 0.00 0.75 -0.01 4.04 5.75 -1.26 -3.35 116.55 122.47 3h0c n ASP 65 Ca 0.00 0.34 0.00 0.00 -0.01 0.00 0.00 54.79 55.12 3h0c n ASP 65 Cb 0.00 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 3h0c n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h0c n HIS 66 N -2.17 0.00 -4.25 2.11 1.44 -1.26 -4.40 115.22 106.69 3h0c n HIS 66 Ca 0.04 -0.10 -0.17 0.00 -2.01 0.00 0.00 57.72 55.49 3h0c n HIS 66 Cb 0.43 -0.01 -0.13 0.00 0.12 0.00 0.00 29.99 30.40 3h0c n HIS 66 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3h0c s GLU 67 N -0.20 0.71 0.06 -1.40 2.02 -1.26 -0.44 118.70 118.18 3h0c s GLU 67 Ca 0.00 -0.58 -0.01 0.00 0.02 0.00 0.00 54.97 54.40 3h0c s GLU 67 Cb 0.00 -0.64 -0.04 0.00 0.10 0.00 0.00 34.13 33.55 3h0c s GLU 67 CO 0.00 0.16 -0.04 1.52 0.02 0.00 0.00 175.26 176.92 3h0c s TYR 68 N -0.74 0.58 0.11 1.61 -0.85 -1.05 -1.33 117.35 115.67 3h0c s TYR 68 Ca -0.01 -1.04 0.03 0.00 -0.52 0.00 0.00 57.07 55.53 3h0c s TYR 68 Cb -0.07 -0.41 -0.04 0.00 0.38 0.00 0.00 41.96 41.83 3h0c s TYR 68 CO 0.00 -0.34 0.15 -0.51 -1.52 0.00 0.00 175.55 173.33 3h0c s LEU 69 N -2.92 4.00 -0.25 -3.49 1.43 0.63 -0.77 118.68 117.30 3h0c s LEU 69 Ca 0.07 0.04 -0.15 0.00 -1.03 0.00 0.00 54.13 53.07 3h0c s LEU 69 Cb 0.07 -2.63 0.07 0.00 0.03 0.00 0.00 46.19 43.74 3h0c s LEU 69 CO -0.09 0.13 0.62 -0.47 0.23 0.00 0.00 176.35 176.77 3h0c s TYR 70 N -1.55 -0.93 -0.72 0.29 5.04 -0.66 -0.68 117.35 118.12 3h0c s TYR 70 Ca 0.32 1.91 -0.23 0.00 -2.44 0.00 0.00 57.07 56.62 3h0c s TYR 70 Cb -0.12 0.52 0.07 0.00 0.35 0.00 0.00 41.96 42.79 3h0c s TYR 70 CO 0.25 -0.47 1.06 -1.59 -1.34 0.00 0.00 175.55 173.46 3h0c s LYS 71 N 1.50 3.20 -0.20 4.97 0.00 -1.26 -1.57 119.74 126.38 3h0c s LYS 71 Ca -0.09 -0.83 -0.24 0.00 0.00 0.00 0.00 55.97 54.81 3h0c s LYS 71 Cb -0.06 -4.34 -0.01 0.00 0.00 0.00 0.00 37.83 33.42 3h0c s LYS 71 CO -0.17 -1.90 0.80 -1.14 0.00 0.00 0.00 175.35 172.95 3h0c s GLN 72 N 4.29 4.25 2.02 1.78 2.00 -0.42 -4.67 119.66 128.92 3h0c s GLN 72 Ca 0.27 0.94 0.00 0.00 -2.00 0.00 0.00 55.36 54.56 3h0c s GLN 72 Cb -0.13 -3.60 0.00 0.00 0.80 0.00 0.00 33.01 30.08 3h0c s GLN 72 CO 0.08 -0.38 0.00 0.39 -0.50 0.00 0.00 175.29 174.88 3h0c n GLU 73 N 5.45 0.00 0.00 1.67 1.02 -1.26 -1.37 120.64 126.15 3h0c n GLU 73 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3h0c n GLU 73 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 3h0c n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h0c n ASN 74 N 4.64 0.14 -4.76 1.62 5.03 -1.26 -5.06 115.26 115.60 3h0c n ASN 74 Ca 0.00 -0.49 -0.39 0.00 0.87 0.00 0.00 54.58 54.57 3h0c n ASN 74 Cb 0.00 0.22 -0.05 0.00 -1.02 0.00 0.00 39.78 38.93 3h0c n ASN 74 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3h0c s ASN 75 N -0.22 7.33 -0.25 6.41 0.01 -0.47 -4.26 114.94 123.48 3h0c s ASN 75 Ca 0.00 2.03 -0.20 0.00 -0.71 0.00 0.00 52.86 53.98 3h0c s ASN 75 Cb 0.00 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 39.04 3h0c s ASN 75 CO 0.00 -0.08 0.62 -0.63 -1.51 0.00 0.00 177.10 175.49 3h0c s ILE 76 N -1.35 5.00 -0.01 0.60 1.01 -0.32 -1.30 121.20 124.83 3h0c s ILE 76 Ca 0.47 1.10 0.03 0.00 0.00 0.00 0.00 60.65 62.25 3h0c s ILE 76 Cb -0.25 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 3h0c s ILE 76 CO 0.32 0.04 -0.08 -0.76 0.00 0.00 0.00 174.94 174.46 3h0c s LEU 77 N 2.44 3.12 -0.16 2.97 1.43 -0.61 -0.39 118.68 127.49 3h0c s LEU 77 Ca 0.26 -0.13 -0.13 0.00 -1.03 0.00 0.00 54.13 53.10 3h0c s LEU 77 Cb -0.16 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 3h0c s LEU 77 CO 0.09 0.30 0.25 0.54 0.23 0.00 0.00 176.35 177.76 3h0c s VAL 78 N -0.94 5.33 0.00 -1.59 0.11 -0.62 -1.66 120.40 121.04 3h0c s VAL 78 Ca 0.16 0.46 0.03 0.00 -2.93 0.00 0.00 61.98 59.70 3h0c s VAL 78 Cb -0.11 -3.58 -0.03 0.00 -1.53 0.00 0.00 36.38 31.12 3h0c s VAL 78 CO 0.06 0.42 -0.07 -0.36 -3.33 0.00 0.00 175.10 171.81 3h0c s PHE 79 N 0.30 2.87 -0.32 1.54 0.40 0.05 -2.07 117.98 120.76 3h0c s PHE 79 Ca 0.15 -0.05 -0.14 0.00 -0.60 0.00 0.00 56.93 56.29 3h0c s PHE 79 Cb -0.13 -1.61 -0.02 0.00 0.51 0.00 0.00 43.02 41.77 3h0c s PHE 79 CO 0.03 0.36 0.31 1.21 0.70 0.00 0.00 175.22 177.83 3h0c s ASN 80 N -1.39 6.14 0.19 1.36 3.84 -0.29 -2.52 114.94 122.26 3h0c s ASN 80 Ca 0.17 -0.15 -0.10 0.00 0.21 0.00 0.00 52.86 52.99 3h0c s ASN 80 Cb -0.11 -2.17 0.10 0.00 -0.55 0.00 0.00 41.25 38.52 3h0c s ASN 80 CO 0.07 -0.24 1.73 0.00 -2.79 0.00 0.00 177.10 175.88 3h0c h ALA 81 N 8.41 0.86 -0.28 1.71 0.00 -1.09 0.11 119.26 128.99 3h0c h ALA 81 Ca -0.31 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 3h0c h ALA 81 Cb 1.16 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3h0c h ALA 81 CO 0.65 0.51 -0.08 1.49 0.00 0.00 0.00 179.25 181.81 3h0c h GLU 82 N 0.95 0.54 0.00 0.00 4.57 -1.95 -3.36 114.58 115.33 3h0c h GLU 82 Ca 0.22 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3h0c h GLU 82 Cb 0.25 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 3h0c h GLU 82 CO -0.01 0.76 -1.16 0.66 -1.18 0.00 0.00 179.01 178.07 3h0c n TYR 83 N -4.50 0.00 -0.36 0.92 4.01 -1.20 -5.00 117.16 111.04 3h0c n TYR 83 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3h0c n TYR 83 Cb 0.32 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 3h0c n TYR 83 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h0c n GLY 84 N 1.44 2.05 3.79 2.72 0.00 0.38 -5.02 105.19 110.55 3h0c n GLY 84 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3h0c n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h0c s ASN 85 N -3.48 5.25 0.13 1.61 4.22 -1.26 -4.75 114.94 116.67 3h0c s ASN 85 Ca 0.00 1.82 -0.12 0.00 -2.14 0.00 0.00 52.86 52.42 3h0c s ASN 85 Cb 0.00 -2.53 0.01 0.00 1.28 0.00 0.00 41.25 40.02 3h0c s ASN 85 CO 0.00 -1.53 0.33 -0.94 -2.04 0.00 0.00 177.10 172.92 3h0c s SER 86 N -3.09 -0.06 0.29 3.54 1.04 -1.26 -1.13 113.70 113.02 3h0c s SER 86 Ca 0.63 -0.57 -0.04 0.00 0.48 0.00 0.00 55.95 56.45 3h0c s SER 86 Cb -0.17 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 3h0c s SER 86 CO 0.46 -0.85 0.39 -0.94 0.98 0.00 0.00 173.24 173.28 3h0c s SER 87 N -2.87 0.63 -0.02 7.02 1.04 -0.88 -5.01 113.70 113.62 3h0c s SER 87 Ca 0.08 -1.37 -0.30 0.00 0.48 0.00 0.00 55.95 54.83 3h0c s SER 87 Cb 0.03 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.70 3h0c s SER 87 CO -0.08 -1.16 1.05 0.68 0.98 0.00 0.00 173.24 174.72 3h0c s VAL 88 N -3.51 4.64 -0.19 5.02 -7.23 -1.26 -1.59 120.40 116.28 3h0c s VAL 88 Ca 0.31 1.90 -0.15 0.00 -1.81 0.00 0.00 61.98 62.23 3h0c s VAL 88 Cb 0.01 -4.22 -0.21 0.00 0.56 0.00 0.00 36.38 32.53 3h0c s VAL 88 CO 0.17 0.10 0.18 0.33 -0.31 0.00 0.00 175.10 175.57 3h0c n PHE 89 N 4.27 0.94 -3.67 2.82 7.35 0.48 -4.82 117.46 124.83 3h0c n PHE 89 Ca 0.08 0.32 -0.11 0.00 -0.76 0.00 0.00 57.45 56.97 3h0c n PHE 89 Cb 0.49 -1.11 -0.12 0.00 0.35 0.00 0.00 39.48 39.10 3h0c n PHE 89 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 3h0c s LEU 90 N -7.50 -0.31 0.51 -2.13 2.96 -0.59 -5.00 118.68 106.63 3h0c s LEU 90 Ca -0.28 0.74 -0.21 0.00 -0.22 0.00 0.00 54.13 54.16 3h0c s LEU 90 Cb 0.07 0.98 -0.06 0.00 0.50 0.00 0.00 46.19 47.68 3h0c s LEU 90 CO 0.64 -0.22 1.21 -1.61 -1.32 0.00 0.00 176.35 175.04 3h0c s GLU 91 N 2.25 3.42 0.63 1.98 8.01 -1.26 -1.18 118.70 132.55 3h0c s GLU 91 Ca -0.02 1.86 0.28 0.00 0.01 0.00 0.00 54.97 57.09 3h0c s GLU 91 Cb -0.11 -2.23 1.50 0.00 -4.31 0.00 0.00 34.13 28.98 3h0c s GLU 91 CO -0.10 -0.85 1.84 -2.95 0.01 0.00 0.00 175.26 173.20 3h0c h ASN 92 N 1.58 0.00 -0.41 -0.19 7.08 -1.93 -2.77 115.58 118.94 3h0c h ASN 92 Ca -0.50 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.72 3h0c h ASN 92 Cb 1.27 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.51 3h0c h ASN 92 CO 0.58 0.00 0.00 -1.54 -2.08 0.00 0.00 177.43 174.39 3h0c n SER 93 N -2.79 3.81 0.17 6.14 3.41 -1.26 -4.52 113.62 118.58 3h0c n SER 93 Ca -0.02 -2.48 0.04 0.00 -0.26 0.00 0.00 58.87 56.15 3h0c n SER 93 Cb 0.38 -0.44 0.27 0.00 -0.26 0.00 0.00 64.21 64.16 3h0c n SER 93 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3h0c h THR 94 N 2.56 1.01 -0.97 6.66 2.02 -1.88 -3.26 112.91 119.06 3h0c h THR 94 Ca 0.00 -1.72 -0.55 0.00 0.77 0.00 0.00 66.41 64.91 3h0c h THR 94 Cb 1.19 2.02 -0.43 0.00 -1.74 0.00 0.00 68.15 69.20 3h0c h THR 94 CO 0.15 0.43 -0.80 0.49 0.37 0.00 0.00 175.52 176.16 3h0c n PHE 95 N -3.56 2.89 0.10 3.16 3.72 -1.26 -4.77 117.46 117.73 3h0c n PHE 95 Ca -0.00 -2.48 -0.04 0.00 -0.05 0.00 0.00 57.45 54.87 3h0c n PHE 95 Cb 0.55 -0.26 0.13 0.00 -0.94 0.00 0.00 39.48 38.96 3h0c n PHE 95 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3h0c h ASP 96 N 2.31 0.22 -1.04 4.37 3.32 -1.86 -3.17 116.42 120.57 3h0c h ASP 96 Ca 0.33 -0.13 -0.63 0.00 0.02 0.00 0.00 57.03 56.63 3h0c h ASP 96 Cb 1.35 -0.06 -0.35 0.00 0.22 0.00 0.00 39.33 40.48 3h0c h ASP 96 CO 0.77 0.78 0.10 1.21 -1.72 0.00 0.00 179.24 180.38 3h0c n GLU 97 N -3.85 3.12 0.04 3.56 0.00 -1.26 -4.68 120.64 117.57 3h0c n GLU 97 Ca -0.02 -3.76 -0.18 0.00 0.00 0.00 0.00 57.16 53.20 3h0c n GLU 97 Cb 0.62 -2.28 -0.14 0.00 0.00 0.00 0.00 31.44 29.64 3h0c n GLU 97 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 3h0c h PHE 98 N 2.21 0.45 -0.09 4.31 3.57 -1.91 -3.49 116.94 121.99 3h0c h PHE 98 Ca 0.49 -0.33 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 3h0c h PHE 98 Cb 1.03 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 3h0c h PHE 98 CO 1.13 1.47 -0.02 0.41 -2.23 0.00 0.00 178.31 179.07 3h0c n GLY 99 N 1.75 0.36 3.27 2.40 0.00 -1.26 -5.04 105.19 106.68 3h0c n GLY 99 Ca -0.21 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 3h0c n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h0c s HIS 100 N -2.04 -0.44 -0.43 1.61 3.76 -1.26 -5.10 115.29 111.39 3h0c s HIS 100 Ca 0.00 1.05 -0.27 0.00 -0.15 0.00 0.00 55.06 55.69 3h0c s HIS 100 Cb 0.00 0.15 -0.04 0.00 1.11 0.00 0.00 32.58 33.81 3h0c s HIS 100 CO 0.00 -0.22 2.03 0.45 -0.85 0.00 0.00 174.74 176.15 3h0c s SER 101 N 0.32 5.29 -0.42 1.40 0.15 -1.26 -4.93 113.70 114.25 3h0c s SER 101 Ca -0.01 1.06 -0.29 0.00 0.70 0.00 0.00 55.95 57.41 3h0c s SER 101 Cb -0.03 -2.52 0.02 0.00 -1.71 0.00 0.00 66.02 61.78 3h0c s SER 101 CO -0.01 -2.23 1.26 -0.63 1.20 0.00 0.00 173.24 172.84 3h0c s ILE 102 N 9.05 4.09 -0.03 6.45 1.09 -1.26 -4.51 121.20 136.08 3h0c s ILE 102 Ca 0.84 1.14 0.03 0.00 -1.10 0.00 0.00 60.65 61.55 3h0c s ILE 102 Cb -0.20 -4.38 -0.25 0.00 -1.06 0.00 0.00 42.46 36.57 3h0c s ILE 102 CO 0.28 -0.82 0.72 -1.13 -0.10 0.00 0.00 174.94 173.89 3h0c h ASN 103 N 9.77 0.23 -5.01 3.58 -0.73 -1.10 -3.50 115.58 118.82 3h0c h ASN 103 Ca -0.25 -0.39 0.04 0.00 1.87 0.00 0.00 56.30 57.56 3h0c h ASN 103 Cb 1.08 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 39.57 3h0c h ASN 103 CO 1.10 1.34 0.25 -0.62 -0.37 0.00 0.00 177.43 179.13 3h0c s ASP 104 N -6.65 -0.15 0.07 1.15 -1.08 -1.15 -5.02 116.67 103.83 3h0c s ASP 104 Ca -0.09 -0.83 -0.08 0.00 -0.52 0.00 0.00 52.55 51.02 3h0c s ASP 104 Cb 0.07 0.78 -0.00 0.00 -1.46 0.00 0.00 42.92 42.31 3h0c s ASP 104 CO 0.82 -1.48 0.18 -0.72 0.52 0.00 0.00 175.17 174.49 3h0c s TYR 105 N -3.23 0.13 -0.12 -5.34 -0.85 -1.26 -1.82 117.35 104.86 3h0c s TYR 105 Ca 0.13 -0.49 -0.05 0.00 -0.52 0.00 0.00 57.07 56.15 3h0c s TYR 105 Cb -0.06 -0.07 0.06 0.00 0.38 0.00 0.00 41.96 42.28 3h0c s TYR 105 CO 0.09 -0.49 0.24 0.45 -1.52 0.00 0.00 175.55 174.32 3h0c s SER 106 N -2.55 0.34 -0.01 -0.18 0.15 -0.52 -4.97 113.70 105.96 3h0c s SER 106 Ca 0.01 0.54 -0.17 0.00 0.70 0.00 0.00 55.95 57.03 3h0c s SER 106 Cb 0.03 0.60 -0.06 0.00 -1.71 0.00 0.00 66.02 64.88 3h0c s SER 106 CO -0.08 -0.23 0.49 -0.63 1.20 0.00 0.00 173.24 173.98 3h0c s ILE 107 N 2.26 4.97 0.49 6.45 1.01 -1.26 -0.25 121.20 134.86 3h0c s ILE 107 Ca 0.00 1.01 -0.23 0.00 0.00 0.00 0.00 60.65 61.43 3h0c s ILE 107 Cb -0.12 -3.81 -0.07 0.00 0.01 0.00 0.00 42.46 38.48 3h0c s ILE 107 CO -0.08 0.50 1.33 -0.94 0.00 0.00 0.00 174.94 175.75 3h0c s SER 108 N -0.62 5.73 0.40 3.58 1.04 -0.67 -4.90 113.70 118.26 3h0c s SER 108 Ca 0.26 2.70 0.23 0.00 0.48 0.00 0.00 55.95 59.62 3h0c s SER 108 Cb -0.17 -2.63 1.26 0.00 0.10 0.00 0.00 66.02 64.57 3h0c s SER 108 CO 0.15 -1.25 1.66 -0.65 0.98 0.00 0.00 173.24 174.13 3h0c h PRO 109 N 1.96 0.21 -0.04 4.02 0.11 -1.81 0.33 132.00 136.78 3h0c h PRO 109 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3h0c h PRO 109 Cb 1.27 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3h0c h PRO 109 CO 0.59 0.14 0.00 -0.40 -0.21 0.00 0.00 178.00 178.12 3h0c n ASP 110 N -4.81 0.93 -0.97 -2.05 5.75 -1.22 -4.88 116.55 109.30 3h0c n ASP 110 Ca 0.33 -1.39 -0.13 0.00 -0.01 0.00 0.00 54.79 53.60 3h0c n ASP 110 Cb 1.17 -0.02 -0.05 0.00 -1.03 0.00 0.00 41.12 41.19 3h0c n ASP 110 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h0c n GLY 111 N 1.07 1.29 0.09 6.12 0.00 0.12 -4.88 105.19 108.99 3h0c n GLY 111 Ca 0.19 -0.16 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 3h0c n GLY 111 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3h0c h GLN 112 N 0.05 0.00 -4.82 1.61 4.20 -1.92 -3.46 115.11 110.77 3h0c h GLN 112 Ca -0.26 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.14 3h0c h GLN 112 Cb 1.03 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 28.62 3h0c h GLN 112 CO 0.38 0.71 -0.74 -0.06 -0.67 0.00 0.00 178.83 178.45 3h0c s PHE 113 N -2.77 0.90 -0.04 2.96 0.08 -1.26 -1.47 117.98 116.37 3h0c s PHE 113 Ca 0.00 -0.58 0.06 0.00 0.12 0.00 0.00 56.93 56.53 3h0c s PHE 113 Cb 0.09 -0.51 -0.01 0.00 -0.57 0.00 0.00 43.02 42.01 3h0c s PHE 113 CO 0.80 -0.04 -0.23 -1.50 -0.10 0.00 0.00 175.22 174.15 3h0c s ILE 114 N -1.89 1.91 -0.24 0.64 2.07 -0.82 -1.67 121.20 121.20 3h0c s ILE 114 Ca -0.02 -1.00 -0.11 0.00 -1.41 0.00 0.00 60.65 58.11 3h0c s ILE 114 Cb -0.06 -1.61 -0.05 0.00 0.13 0.00 0.00 42.46 40.87 3h0c s ILE 114 CO 0.00 0.54 0.17 -0.22 -1.91 0.00 0.00 174.94 173.52 3h0c s LEU 115 N -0.24 4.12 -0.12 8.50 0.20 0.66 -1.86 118.68 129.94 3h0c s LEU 115 Ca -0.00 0.13 -0.01 0.00 0.69 0.00 0.00 54.13 54.94 3h0c s LEU 115 Cb -0.12 -2.13 -0.02 0.00 -0.43 0.00 0.00 46.19 43.49 3h0c s LEU 115 CO 0.02 0.06 -0.08 -0.76 -0.29 0.00 0.00 176.35 175.30 3h0c s LEU 116 N 1.08 3.05 -0.24 -0.68 1.43 0.55 -1.44 118.68 122.43 3h0c s LEU 116 Ca 0.08 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 53.00 3h0c s LEU 116 Cb -0.14 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.41 3h0c s LEU 116 CO 0.05 0.22 -0.06 -0.70 0.23 0.00 0.00 176.35 176.09 3h0c s GLU 117 N 0.02 2.91 0.36 1.70 2.12 -0.76 -1.32 118.70 123.73 3h0c s GLU 117 Ca -0.01 -0.93 0.05 0.00 0.36 0.00 0.00 54.97 54.43 3h0c s GLU 117 Cb -0.14 -2.97 -0.03 0.00 0.26 0.00 0.00 34.13 31.25 3h0c s GLU 117 CO 0.03 -0.37 0.18 1.52 -0.54 0.00 0.00 175.26 176.09 3h0c s TYR 118 N 1.34 1.73 -1.49 5.30 1.13 -0.20 -0.43 117.35 124.74 3h0c s TYR 118 Ca 0.01 -1.43 -0.12 0.00 -1.41 0.00 0.00 57.07 54.12 3h0c s TYR 118 Cb -0.16 -0.95 0.07 0.00 -1.10 0.00 0.00 41.96 39.81 3h0c s TYR 118 CO -0.05 -0.53 0.98 0.09 -2.51 0.00 0.00 175.55 173.54 3h0c n ASN 119 N -1.31 -5.19 -4.66 -0.18 3.02 -1.26 0.80 115.26 106.47 3h0c n ASN 119 Ca -0.00 -0.68 -0.42 0.00 -0.03 0.00 0.00 54.58 53.45 3h0c n ASN 119 Cb 0.64 -4.14 -0.03 0.00 -0.61 0.00 0.00 39.78 35.64 3h0c n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3h0c s TYR 120 N -3.27 1.35 -0.19 3.10 6.14 -1.26 -4.23 117.35 118.99 3h0c s TYR 120 Ca 0.62 -0.36 0.00 0.00 0.64 0.00 0.00 57.07 57.97 3h0c s TYR 120 Cb -0.30 -4.20 0.04 0.00 0.42 0.00 0.00 41.96 37.92 3h0c s TYR 120 CO 0.77 -5.35 -0.07 0.08 0.64 0.00 0.00 175.55 171.62 3h0c s VAL 121 N 4.55 1.36 0.30 3.14 1.01 -0.08 -5.02 120.40 125.66 3h0c s VAL 121 Ca 0.87 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 3h0c s VAL 121 Cb -0.41 -1.51 -0.10 0.00 0.00 0.00 0.00 36.38 34.35 3h0c s VAL 121 CO 0.40 0.12 1.37 -0.75 0.00 0.00 0.00 175.10 176.23 3h0c s LYS 122 N 1.51 4.31 0.00 2.72 2.20 -1.26 -1.56 119.74 127.67 3h0c s LYS 122 Ca -0.01 2.26 0.00 0.00 -0.36 0.00 0.00 55.97 57.86 3h0c s LYS 122 Cb -0.16 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 3h0c s LYS 122 CO -0.08 -0.30 0.00 0.94 -0.36 0.00 0.00 175.35 175.56 3h0c n GLN 123 N 1.46 0.00 0.00 4.03 7.27 -0.43 -4.91 117.38 124.80 3h0c n GLN 123 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.10 3h0c n GLN 123 Cb 0.41 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.06 3h0c n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 3h0c n TRP 124 N 0.00 0.00 -0.25 3.69 5.03 -1.20 -4.94 117.44 119.76 3h0c n TRP 124 Ca 0.00 0.00 -0.04 0.00 3.03 0.00 0.00 57.50 60.49 3h0c n TRP 124 Cb 0.00 0.00 0.06 0.00 -1.03 0.00 0.00 31.31 30.34 3h0c n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 3h0c h ARG 125 N 0.00 0.89 0.00 -0.99 2.43 -1.99 -3.34 114.38 111.38 3h0c h ARG 125 Ca 0.00 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3h0c h ARG 125 Cb 0.00 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.35 3h0c h ARG 125 CO 0.00 0.59 -1.11 0.72 -1.51 0.00 0.00 179.97 178.66 3h0c n HIS 126 N -4.62 0.00 -2.56 2.20 8.25 -1.26 -5.05 115.22 112.17 3h0c n HIS 126 Ca 0.07 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.16 3h0c n HIS 126 Cb 0.04 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.05 3h0c n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3h0c s SER 127 N -2.56 6.79 0.16 0.41 1.04 -1.26 -4.59 113.70 113.69 3h0c s SER 127 Ca -0.01 2.02 -0.24 0.00 0.48 0.00 0.00 55.95 58.20 3h0c s SER 127 Cb 0.01 -2.58 0.06 0.00 0.10 0.00 0.00 66.02 63.61 3h0c s SER 127 CO 0.08 -0.47 0.77 -0.72 0.98 0.00 0.00 173.24 173.88 3h0c s TYR 128 N -1.67 -0.32 0.20 5.02 -0.85 -1.26 -1.31 117.35 117.16 3h0c s TYR 128 Ca 0.57 0.04 0.10 0.00 -0.52 0.00 0.00 57.07 57.27 3h0c s TYR 128 Cb -0.21 0.61 -0.04 0.00 0.38 0.00 0.00 41.96 42.69 3h0c s TYR 128 CO 0.27 -0.88 -0.17 0.95 -1.52 0.00 0.00 175.55 174.20 3h0c s THR 129 N -3.57 2.74 0.23 -3.49 -4.23 -0.60 -4.58 115.64 102.14 3h0c s THR 129 Ca 0.07 -1.93 -0.19 0.00 -1.18 0.00 0.00 61.69 58.46 3h0c s THR 129 Cb -0.02 -2.36 0.03 0.00 1.34 0.00 0.00 72.50 71.49 3h0c s THR 129 CO -0.04 -0.16 0.61 0.00 -0.54 0.00 0.00 174.62 174.49 3h0c s ALA 130 N -1.82 -1.07 0.09 3.99 0.00 -0.87 -0.90 121.76 121.19 3h0c s ALA 130 Ca 0.24 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.99 3h0c s ALA 130 Cb -0.08 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 3h0c s ALA 130 CO 0.13 -0.90 0.22 -1.12 0.00 0.00 0.00 175.76 174.10 3h0c s SER 131 N -2.89 6.27 0.11 0.00 0.01 0.24 -2.08 113.70 115.36 3h0c s SER 131 Ca 0.10 0.21 0.04 0.00 1.31 0.00 0.00 55.95 57.61 3h0c s SER 131 Cb -0.03 -1.89 -0.04 0.00 0.21 0.00 0.00 66.02 64.27 3h0c s SER 131 CO 0.01 0.13 -0.10 -0.31 0.41 0.00 0.00 173.24 173.38 3h0c s TYR 132 N -1.59 1.12 -0.02 2.43 2.02 -1.26 -1.03 117.35 119.02 3h0c s TYR 132 Ca 0.34 -0.70 -0.06 0.00 -0.37 0.00 0.00 57.07 56.28 3h0c s TYR 132 Cb -0.12 -0.60 0.01 0.00 -0.40 0.00 0.00 41.96 40.85 3h0c s TYR 132 CO 0.28 0.02 0.14 -0.51 -1.57 0.00 0.00 175.55 173.90 3h0c s ASP 133 N -2.67 -0.03 -0.12 2.29 1.01 -0.43 -4.70 116.67 112.01 3h0c s ASP 133 Ca 0.09 -0.03 -0.02 0.00 0.71 0.00 0.00 52.55 53.30 3h0c s ASP 133 Cb -0.01 0.24 -0.03 0.00 1.01 0.00 0.00 42.92 44.14 3h0c s ASP 133 CO -0.00 -0.25 -0.05 -0.63 0.21 0.00 0.00 175.17 174.44 3h0c s ILE 134 N -0.86 3.79 -0.12 0.77 1.01 -1.26 -0.33 121.20 124.21 3h0c s ILE 134 Ca -0.09 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.15 3h0c s ILE 134 Cb -0.05 -2.62 0.02 0.00 0.01 0.00 0.00 42.46 39.82 3h0c s ILE 134 CO 0.01 0.54 -0.15 -0.47 0.00 0.00 0.00 174.94 174.87 3h0c s TYR 135 N -0.11 1.98 -0.04 3.97 5.04 -0.77 -1.15 117.35 126.27 3h0c s TYR 135 Ca 0.02 -0.97 -0.30 0.00 -2.44 0.00 0.00 57.07 53.38 3h0c s TYR 135 Cb -0.13 -1.44 -0.02 0.00 0.35 0.00 0.00 41.96 40.71 3h0c s TYR 135 CO 0.03 -0.51 1.01 0.34 -1.34 0.00 0.00 175.55 175.08 3h0c s ASP 136 N 1.12 7.29 0.13 4.32 -1.08 -0.63 -1.95 116.67 125.86 3h0c s ASP 136 Ca -0.04 1.64 0.24 0.00 -0.52 0.00 0.00 52.55 53.87 3h0c s ASP 136 Cb -0.14 -2.56 0.26 0.00 -1.46 0.00 0.00 42.92 39.01 3h0c s ASP 136 CO -0.04 -0.36 1.25 -0.07 0.52 0.00 0.00 175.17 176.48 3h0c h LEU 137 N 7.32 0.00 0.17 -1.34 3.38 -1.58 -3.24 115.31 120.03 3h0c h LEU 137 Ca -0.37 -0.19 -0.35 0.00 0.09 0.00 0.00 57.88 57.06 3h0c h LEU 137 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3h0c h LEU 137 CO 0.80 0.09 -1.81 0.78 0.09 0.00 0.00 178.44 178.39 3h0c h ASN 138 N 0.00 0.55 -3.52 -0.43 2.35 -1.92 -3.42 115.58 109.19 3h0c h ASN 138 Ca 0.00 -0.94 -0.70 0.00 -0.55 0.00 0.00 56.30 54.10 3h0c h ASN 138 Cb 0.79 -0.18 -0.30 0.00 0.05 0.00 0.00 38.32 38.68 3h0c h ASN 138 CO 0.00 1.81 -0.53 -1.59 -1.65 0.00 0.00 177.43 175.47 3h0c s LYS 139 N -2.57 2.42 -0.30 0.81 -2.85 -1.26 -5.01 119.74 110.98 3h0c s LYS 139 Ca -0.18 -1.52 -0.14 0.00 -1.00 0.00 0.00 55.97 53.13 3h0c s LYS 139 Cb 0.06 -3.62 -0.15 0.00 -2.06 0.00 0.00 37.83 32.05 3h0c s LYS 139 CO 0.83 -0.92 1.54 0.54 0.10 0.00 0.00 175.35 177.44 3h0c n ARG 140 N 4.78 0.64 -3.92 1.78 1.74 -1.25 -4.43 116.66 116.00 3h0c n ARG 140 Ca -0.09 -1.06 -0.09 0.00 -0.77 0.00 0.00 57.85 55.84 3h0c n ARG 140 Cb 0.43 -2.40 -0.09 0.00 -1.02 0.00 0.00 32.46 29.38 3h0c n ARG 140 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 3h0c s GLN 141 N 5.32 0.61 0.63 5.56 -2.07 -1.22 -5.03 119.66 123.46 3h0c s GLN 141 Ca 0.38 -0.77 -0.15 0.00 -1.82 0.00 0.00 55.36 53.00 3h0c s GLN 141 Cb 0.09 0.24 -0.02 0.00 -1.09 0.00 0.00 33.01 32.23 3h0c s GLN 141 CO 0.12 -0.16 1.09 -0.51 -1.32 0.00 0.00 175.29 174.52 3h0c s LEU 142 N -2.19 3.44 -0.12 2.60 1.02 -1.26 -1.61 118.68 120.56 3h0c s LEU 142 Ca -0.04 1.94 -0.16 0.00 0.02 0.00 0.00 54.13 55.89 3h0c s LEU 142 Cb -0.00 -4.55 -0.04 0.00 0.02 0.00 0.00 46.19 41.61 3h0c s LEU 142 CO -0.05 -1.45 0.40 -0.63 0.02 0.00 0.00 176.35 174.64 3h0c s ILE 143 N -2.35 5.21 -0.01 -0.59 1.01 -0.30 -4.86 121.20 119.31 3h0c s ILE 143 Ca 0.66 0.80 0.00 0.00 0.00 0.00 0.00 60.65 62.11 3h0c s ILE 143 Cb -0.19 -3.74 -0.00 0.00 0.01 0.00 0.00 42.46 38.54 3h0c s ILE 143 CO 0.39 0.38 0.01 0.35 0.00 0.00 0.00 174.94 176.07 3h0c n THR 144 N 3.43 0.00 -3.32 2.92 -2.24 -1.26 -4.74 114.28 109.07 3h0c n THR 144 Ca -0.09 -0.37 -0.38 0.00 -2.27 0.00 0.00 64.05 60.94 3h0c n THR 144 Cb 0.52 0.87 -0.06 0.00 -2.10 0.00 0.00 70.33 69.56 3h0c n THR 144 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3h0c s GLU 145 N -1.28 4.32 -1.14 -0.78 2.02 -1.26 -4.59 118.70 115.99 3h0c s GLU 145 Ca 0.00 0.42 -0.04 0.00 0.02 0.00 0.00 54.97 55.37 3h0c s GLU 145 Cb 0.00 -3.45 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 3h0c s GLU 145 CO 0.01 0.13 0.92 0.39 0.02 0.00 0.00 175.26 176.73 3h0c n GLU 146 N 3.79 -4.12 -1.80 1.61 -0.58 -1.26 -4.72 120.64 113.56 3h0c n GLU 146 Ca -0.07 0.81 -0.32 0.00 -0.42 0.00 0.00 57.16 57.16 3h0c n GLU 146 Cb 0.51 -5.68 0.03 0.00 -0.57 0.00 0.00 31.44 25.73 3h0c n GLU 146 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3h0c s ARG 147 N -5.01 3.18 0.31 3.49 0.52 -1.26 -4.85 118.95 115.32 3h0c s ARG 147 Ca 0.24 1.01 -0.29 0.00 -0.52 0.00 0.00 55.73 56.17 3h0c s ARG 147 Cb -0.04 -2.02 -0.11 0.00 0.52 0.00 0.00 34.95 33.30 3h0c s ARG 147 CO 0.75 -0.91 1.49 0.42 0.02 0.00 0.00 175.30 177.07 3h0c s ILE 148 N -2.85 2.31 0.75 1.52 1.01 -1.26 -4.98 121.20 117.71 3h0c s ILE 148 Ca 0.60 0.28 -0.13 0.00 0.00 0.00 0.00 60.65 61.40 3h0c s ILE 148 Cb -0.14 -3.18 0.05 0.00 0.01 0.00 0.00 42.46 39.20 3h0c s ILE 148 CO 0.48 0.05 1.13 -2.84 0.00 0.00 0.00 174.94 173.75 3h0c s PRO 149 N -1.05 2.20 0.70 2.79 0.02 -1.26 -4.70 135.00 133.69 3h0c s PRO 149 Ca 0.58 1.40 -0.14 0.00 0.02 0.00 0.00 61.00 62.85 3h0c s PRO 149 Cb -0.45 -1.87 0.02 0.00 0.02 0.00 0.00 34.50 32.22 3h0c s PRO 149 CO 0.51 -1.72 1.12 -0.80 -0.33 0.00 0.00 177.00 175.78 3h0c s ASN 150 N -2.80 4.81 -1.06 2.53 0.01 -1.26 -3.87 114.94 113.29 3h0c s ASN 150 Ca 0.66 2.01 -0.04 0.00 -0.71 0.00 0.00 52.86 54.78 3h0c s ASN 150 Cb -0.21 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 38.90 3h0c s ASN 150 CO 0.50 -1.84 0.51 0.59 -1.51 0.00 0.00 177.10 175.36 3h0c n ASN 151 N -2.73 -4.84 -4.74 -1.22 3.02 -1.18 -5.00 115.26 98.58 3h0c n ASN 151 Ca 0.10 -0.24 -0.41 0.00 -0.03 0.00 0.00 54.58 54.01 3h0c n ASN 151 Cb 0.52 -3.64 -0.04 0.00 -0.61 0.00 0.00 39.78 36.01 3h0c n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3h0c s THR 152 N -3.03 3.67 -0.04 3.41 2.01 -0.89 -4.59 115.64 116.19 3h0c s THR 152 Ca 0.25 1.47 -0.03 0.00 0.31 0.00 0.00 61.69 63.69 3h0c s THR 152 Cb -0.11 -3.94 -0.27 0.00 0.01 0.00 0.00 72.50 68.19 3h0c s THR 152 CO 0.31 0.26 0.68 1.56 -0.69 0.00 0.00 174.62 176.75 3h0c h GLN 153 N 4.92 0.24 -2.05 4.92 4.20 -1.27 -2.32 115.11 123.75 3h0c h GLN 153 Ca -0.45 -0.42 -0.02 0.00 0.06 0.00 0.00 58.65 57.82 3h0c h GLN 153 Cb 1.21 0.15 -0.21 0.00 0.30 0.00 0.00 27.48 28.93 3h0c h GLN 153 CO 0.72 1.09 0.06 -0.46 -0.67 0.00 0.00 178.83 179.57 3h0c s TRP 154 N -2.59 -0.88 0.01 2.96 -0.11 -1.24 -4.62 118.94 112.46 3h0c s TRP 154 Ca -0.13 1.96 0.05 0.00 1.22 0.00 0.00 56.10 59.20 3h0c s TRP 154 Cb 0.07 0.41 -0.01 0.00 -1.50 0.00 0.00 33.47 32.43 3h0c s TRP 154 CO 0.83 -0.43 -0.15 0.08 -4.62 0.00 0.00 176.95 172.66 3h0c s VAL 155 N 0.88 1.18 -0.14 5.86 1.01 -1.26 -0.64 120.40 127.29 3h0c s VAL 155 Ca -0.04 -0.76 -0.13 0.00 0.00 0.00 0.00 61.98 61.05 3h0c s VAL 155 Cb -0.05 -1.01 0.04 0.00 0.00 0.00 0.00 36.38 35.36 3h0c s VAL 155 CO -0.07 0.23 0.37 0.28 0.00 0.00 0.00 175.10 175.91 3h0c s THR 156 N -0.51 0.00 0.50 3.92 -1.32 0.08 -5.00 115.64 113.31 3h0c s THR 156 Ca 0.05 -0.01 -0.20 0.00 -1.21 0.00 0.00 61.69 60.32 3h0c s THR 156 Cb -0.06 -0.52 -0.08 0.00 -1.51 0.00 0.00 72.50 70.32 3h0c s THR 156 CO 0.00 -0.00 1.06 0.26 -2.21 0.00 0.00 174.62 173.73 3h0c s TRP 157 N 0.18 2.92 0.48 9.09 0.52 -1.26 -0.94 118.94 129.93 3h0c s TRP 157 Ca -0.00 1.57 -0.23 0.00 0.02 0.00 0.00 56.10 57.45 3h0c s TRP 157 Cb -0.03 -3.12 -0.07 0.00 -1.15 0.00 0.00 33.47 29.11 3h0c s TRP 157 CO 0.01 -1.00 1.30 -1.54 0.02 0.00 0.00 176.95 175.73 3h0c s SER 158 N -1.93 5.81 0.00 2.95 1.04 0.92 -4.91 113.70 117.59 3h0c s SER 158 Ca 0.69 2.63 0.14 0.00 0.48 0.00 0.00 55.95 59.88 3h0c s SER 158 Cb -0.18 -2.63 0.62 0.00 0.10 0.00 0.00 66.02 63.93 3h0c s SER 158 CO 0.22 -1.19 1.43 -0.81 0.98 0.00 0.00 173.24 173.86 3h0c n PRO 159 N -0.54 0.05 -4.12 4.02 -0.04 -1.26 -4.45 135.00 128.66 3h0c n PRO 159 Ca 0.07 0.24 -0.14 0.00 -0.04 0.00 0.00 63.50 63.63 3h0c n PRO 159 Cb 0.45 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.30 3h0c n PRO 159 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3h0c s VAL 160 N -2.90 0.76 0.00 0.52 1.01 -1.26 -4.84 120.40 113.68 3h0c s VAL 160 Ca 0.08 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 60.75 3h0c s VAL 160 Cb 0.09 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.52 3h0c s VAL 160 CO 0.24 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.53 3h0c n GLY 161 N 1.11 0.72 2.17 4.51 0.00 -1.26 -4.46 105.19 107.98 3h0c n GLY 161 Ca -0.20 -0.84 0.02 0.00 0.00 0.00 0.00 46.02 44.99 3h0c n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3h0c n HIS 162 N 8.45 0.56 -2.49 1.61 1.44 -1.26 -3.42 115.22 120.10 3h0c n HIS 162 Ca 0.00 -1.33 -0.33 0.00 -2.01 0.00 0.00 57.72 54.04 3h0c n HIS 162 Cb 0.00 -0.13 -0.03 0.00 0.12 0.00 0.00 29.99 29.95 3h0c n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3h0c s LYS 163 N -1.86 3.83 -0.03 -1.40 1.02 -1.26 -4.55 119.74 115.49 3h0c s LYS 163 Ca 0.29 1.23 0.05 0.00 0.02 0.00 0.00 55.97 57.55 3h0c s LYS 163 Cb 0.35 -2.11 -0.01 0.00 -0.52 0.00 0.00 37.83 35.54 3h0c s LYS 163 CO -0.10 -0.39 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.26 3h0c s LEU 164 N -3.68 1.97 -0.06 3.17 1.43 0.18 -0.06 118.68 121.63 3h0c s LEU 164 Ca 0.64 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 53.47 3h0c s LEU 164 Cb -0.14 -0.90 -0.00 0.00 0.03 0.00 0.00 46.19 45.18 3h0c s LEU 164 CO 0.23 0.18 -0.19 0.00 0.23 0.00 0.00 176.35 176.79 3h0c s ALA 165 N -0.18 1.75 0.16 4.21 0.00 -0.12 -0.72 121.76 126.86 3h0c s ALA 165 Ca 0.02 -0.79 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 3h0c s ALA 165 Cb -0.09 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 3h0c s ALA 165 CO 0.01 0.29 0.11 1.52 0.00 0.00 0.00 175.76 177.69 3h0c s TYR 166 N 0.11 0.94 -0.10 0.00 -0.85 -0.27 -0.74 117.35 116.44 3h0c s TYR 166 Ca -0.07 -1.25 0.03 0.00 -0.52 0.00 0.00 57.07 55.25 3h0c s TYR 166 Cb -0.14 -0.47 0.01 0.00 0.38 0.00 0.00 41.96 41.75 3h0c s TYR 166 CO 0.04 -0.59 -0.18 0.08 -1.52 0.00 0.00 175.55 173.37 3h0c s VAL 167 N -4.09 1.68 -0.05 -3.49 1.01 0.19 -0.53 120.40 115.12 3h0c s VAL 167 Ca 0.30 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 3h0c s VAL 167 Cb 0.07 -1.49 0.04 0.00 0.00 0.00 0.00 36.38 34.99 3h0c s VAL 167 CO 0.06 0.48 0.09 0.86 0.00 0.00 0.00 175.10 176.59 3h0c s TRP 168 N 0.65 -0.06 -1.43 5.22 -0.00 -0.28 -0.91 118.94 122.14 3h0c s TRP 168 Ca -0.13 0.34 -0.04 0.00 -0.00 0.00 0.00 56.10 56.27 3h0c s TRP 168 Cb -0.16 -0.24 0.03 0.00 -0.00 0.00 0.00 33.47 33.10 3h0c s TRP 168 CO 0.03 -0.16 0.62 0.09 -0.00 0.00 0.00 176.95 177.54 3h0c n ASN 169 N 4.59 -1.53 -0.76 5.86 5.03 -1.26 -2.03 115.26 125.15 3h0c n ASN 169 Ca -0.19 -0.92 -0.10 0.00 0.87 0.00 0.00 54.58 54.24 3h0c n ASN 169 Cb 0.50 -3.43 -0.04 0.00 -1.02 0.00 0.00 39.78 35.79 3h0c n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3h0c n ASN 170 N -2.95 -5.08 -4.33 6.41 4.13 -1.26 -4.27 115.26 107.92 3h0c n ASN 170 Ca -0.21 0.24 -0.30 0.00 1.68 0.00 0.00 54.58 55.99 3h0c n ASN 170 Cb 0.64 -3.45 -0.15 0.00 -1.54 0.00 0.00 39.78 35.28 3h0c n ASN 170 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3h0c s ASP 171 N -2.51 3.10 -0.02 6.41 1.01 -0.86 -2.09 116.67 121.71 3h0c s ASP 171 Ca 0.00 -0.55 -0.26 0.00 0.71 0.00 0.00 52.55 52.46 3h0c s ASP 171 Cb 0.00 -0.30 -0.04 0.00 1.01 0.00 0.00 42.92 43.59 3h0c s ASP 171 CO 0.00 0.28 0.81 -0.63 0.21 0.00 0.00 175.17 175.83 3h0c s ILE 172 N -0.73 4.92 0.10 0.77 1.01 -1.26 -1.12 121.20 124.87 3h0c s ILE 172 Ca 0.11 1.69 0.08 0.00 0.00 0.00 0.00 60.65 62.53 3h0c s ILE 172 Cb -0.10 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 3h0c s ILE 172 CO 0.01 0.25 -0.21 -0.31 0.00 0.00 0.00 174.94 174.67 3h0c s TYR 173 N 0.68 1.83 -0.03 3.97 1.51 0.30 -1.91 117.35 123.70 3h0c s TYR 173 Ca 0.42 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 56.11 3h0c s TYR 173 Cb -0.19 -1.01 -0.00 0.00 -0.11 0.00 0.00 41.96 40.64 3h0c s TYR 173 CO 0.22 0.20 -0.14 0.08 -1.11 0.00 0.00 175.55 174.81 3h0c s VAL 174 N -1.11 1.17 -0.15 0.71 1.01 -0.19 -1.12 120.40 120.72 3h0c s VAL 174 Ca 0.07 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.47 3h0c s VAL 174 Cb -0.10 -1.01 -0.00 0.00 0.00 0.00 0.00 36.38 35.27 3h0c s VAL 174 CO 0.04 0.34 -0.16 -0.54 0.00 0.00 0.00 175.10 174.78 3h0c s LYS 175 N 0.02 3.19 -0.08 2.72 1.02 0.10 0.12 119.74 126.84 3h0c s LYS 175 Ca -0.02 -0.76 -0.23 0.00 0.02 0.00 0.00 55.97 54.98 3h0c s LYS 175 Cb -0.09 -2.60 -0.19 0.00 -0.52 0.00 0.00 37.83 34.43 3h0c s LYS 175 CO 0.01 0.02 0.87 0.82 -0.92 0.00 0.00 175.35 176.15 3h0c h ILE 176 N 5.68 1.20 -3.27 2.17 1.08 -1.86 0.53 117.51 123.04 3h0c h ILE 176 Ca -0.32 -1.50 -0.67 0.00 -0.39 0.00 0.00 64.86 61.98 3h0c h ILE 176 Cb 1.19 2.09 -0.13 0.00 -3.07 0.00 0.00 36.82 36.90 3h0c h ILE 176 CO 0.56 0.34 -0.62 -1.61 -0.69 0.00 0.00 178.15 176.14 3h0c s GLU 177 N -3.10 2.94 0.55 2.37 0.41 -1.26 -4.14 118.70 116.46 3h0c s GLU 177 Ca -0.14 -0.49 0.24 0.00 -0.41 0.00 0.00 54.97 54.16 3h0c s GLU 177 Cb -0.00 -2.77 1.55 0.00 -1.78 0.00 0.00 34.13 31.13 3h0c s GLU 177 CO 0.55 0.66 2.19 -1.35 -0.49 0.00 0.00 175.26 176.82 3h0c h PRO 178 N 4.62 0.00 -0.03 0.39 0.11 -1.88 -2.80 132.00 132.41 3h0c h PRO 178 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3h0c h PRO 178 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3h0c h PRO 178 CO 0.57 0.02 0.00 0.27 -0.21 0.00 0.00 178.00 178.66 3h0c n ASN 179 N -4.09 2.73 -4.81 -2.05 6.94 -1.26 -4.92 115.26 107.80 3h0c n ASN 179 Ca -0.03 -1.91 -0.26 0.00 -0.02 0.00 0.00 54.58 52.36 3h0c n ASN 179 Cb 0.11 -0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.48 3h0c n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3h0c s LEU 180 N -2.00 3.86 0.37 -4.53 1.43 -1.06 -4.72 118.68 112.03 3h0c s LEU 180 Ca 0.30 -0.09 -0.28 0.00 -1.03 0.00 0.00 54.13 53.03 3h0c s LEU 180 Cb 0.20 -2.47 -0.11 0.00 0.03 0.00 0.00 46.19 43.84 3h0c s LEU 180 CO 0.31 0.07 1.38 -2.65 0.23 0.00 0.00 176.35 175.69 3h0c n PRO 181 N -0.34 2.37 -1.63 1.29 -0.02 -1.26 -4.79 135.00 130.62 3h0c n PRO 181 Ca -0.08 0.83 -0.30 0.00 -2.02 0.00 0.00 63.50 61.93 3h0c n PRO 181 Cb 0.54 -2.50 0.06 0.00 -0.02 0.00 0.00 33.50 31.59 3h0c n PRO 181 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3h0c s SER 182 N -0.24 5.08 -0.11 2.55 1.04 -1.26 -4.78 113.70 115.97 3h0c s SER 182 Ca 0.55 1.40 -0.01 0.00 0.48 0.00 0.00 55.95 58.36 3h0c s SER 182 Cb -0.52 -2.21 -0.03 0.00 0.10 0.00 0.00 66.02 63.36 3h0c s SER 182 CO 0.63 -1.61 -0.06 -0.31 0.98 0.00 0.00 173.24 172.87 3h0c s TYR 183 N -3.15 2.96 -0.18 5.02 1.51 0.33 -4.89 117.35 118.95 3h0c s TYR 183 Ca 0.59 -0.21 -0.25 0.00 -1.01 0.00 0.00 57.07 56.19 3h0c s TYR 183 Cb -0.13 -1.84 -0.01 0.00 -0.11 0.00 0.00 41.96 39.86 3h0c s TYR 183 CO 0.54 0.10 0.81 0.50 -1.11 0.00 0.00 175.55 176.39 3h0c s ARG 184 N -0.14 4.27 -0.26 -0.62 3.52 -1.26 -1.02 118.95 123.44 3h0c s ARG 184 Ca 0.02 0.96 -0.02 0.00 -0.13 0.00 0.00 55.73 56.56 3h0c s ARG 184 Cb -0.13 -3.58 -0.16 0.00 -1.56 0.00 0.00 34.95 29.51 3h0c s ARG 184 CO 0.03 -0.35 -0.23 -0.89 -0.81 0.00 0.00 175.30 173.05 3h0c n ILE 185 N 4.81 1.51 -4.30 4.11 2.08 -0.80 -4.28 119.36 122.48 3h0c n ILE 185 Ca 0.04 -0.53 -0.23 0.00 0.56 0.00 0.00 62.75 62.58 3h0c n ILE 185 Cb 0.49 -1.52 -0.12 0.00 -0.75 0.00 0.00 39.64 37.73 3h0c n ILE 185 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3h0c s THR 186 N -2.52 1.75 0.00 1.39 -4.23 -1.24 -4.80 115.64 105.99 3h0c s THR 186 Ca -0.35 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3h0c s THR 186 Cb 0.10 -1.64 0.00 0.00 1.34 0.00 0.00 72.50 72.30 3h0c s THR 186 CO 0.59 -0.13 0.60 0.79 -0.54 0.00 0.00 174.62 175.92 3h0c n TRP 187 N 0.86 0.00 0.37 3.99 7.02 -1.26 -4.61 117.44 123.81 3h0c n TRP 187 Ca -0.18 -0.18 0.12 0.00 -1.02 0.00 0.00 57.50 56.24 3h0c n TRP 187 Cb 0.54 -0.02 0.09 0.00 -2.42 0.00 0.00 31.31 29.51 3h0c n TRP 187 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 3h0c h THR 188 N 0.88 0.00 -2.63 -0.99 1.35 -1.96 -3.48 112.91 106.08 3h0c h THR 188 Ca 0.00 -0.72 -0.60 0.00 -0.55 0.00 0.00 66.41 64.55 3h0c h THR 188 Cb 0.50 1.27 0.11 0.00 -1.73 0.00 0.00 68.15 68.30 3h0c h THR 188 CO 0.00 0.00 0.19 0.61 -0.25 0.00 0.00 175.52 176.07 3h0c n GLY 189 N 1.26 -0.12 3.64 5.82 0.00 -1.26 -4.76 105.19 109.77 3h0c n GLY 189 Ca 0.02 0.32 -0.05 0.00 0.00 0.00 0.00 46.02 46.30 3h0c n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h0c s LYS 190 N -1.63 0.63 0.02 1.61 2.20 -1.06 -4.92 119.74 116.59 3h0c s LYS 190 Ca 0.58 1.14 -0.37 0.00 -0.36 0.00 0.00 55.97 56.97 3h0c s LYS 190 Cb -0.67 0.21 -0.16 0.00 -1.51 0.00 0.00 37.83 35.70 3h0c s LYS 190 CO 0.60 -0.14 1.49 -1.91 -0.36 0.00 0.00 175.35 175.03 3h0c n GLU 191 N 4.34 1.37 -1.16 4.03 2.13 -1.26 -1.88 120.64 128.22 3h0c n GLU 191 Ca -0.19 0.50 -0.05 0.00 0.66 0.00 0.00 57.16 58.08 3h0c n GLU 191 Cb 0.58 -2.18 -0.02 0.00 0.27 0.00 0.00 31.44 30.08 3h0c n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3h0c n ASP 192 N 3.46 -5.51 0.10 4.31 8.00 -1.26 -4.71 116.55 120.94 3h0c n ASP 192 Ca 0.20 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.84 3h0c n ASP 192 Cb 0.20 -3.49 0.00 0.00 -0.02 0.00 0.00 41.12 37.81 3h0c n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3h0c n ILE 193 N -2.22 0.57 -4.37 0.53 5.41 -0.93 -4.78 119.36 113.56 3h0c n ILE 193 Ca -0.05 0.19 -0.34 0.00 1.00 0.00 0.00 62.75 63.55 3h0c n ILE 193 Cb 0.49 -1.00 -0.15 0.00 -0.71 0.00 0.00 39.64 38.27 3h0c n ILE 193 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3h0c s ILE 194 N -1.98 2.98 -0.23 1.39 -1.09 -0.79 -0.16 121.20 121.32 3h0c s ILE 194 Ca 0.00 -0.66 -0.01 0.00 -2.23 0.00 0.00 60.65 57.75 3h0c s ILE 194 Cb 0.00 -2.29 0.02 0.00 -1.58 0.00 0.00 42.46 38.61 3h0c s ILE 194 CO 0.00 0.49 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.80 3h0c s TYR 195 N 0.90 2.98 -0.28 3.97 1.51 -0.37 -2.58 117.35 123.48 3h0c s TYR 195 Ca -0.03 -1.46 -0.08 0.00 -1.01 0.00 0.00 57.07 54.50 3h0c s TYR 195 Cb -0.15 -2.03 -0.01 0.00 -0.11 0.00 0.00 41.96 39.66 3h0c s TYR 195 CO -0.00 -0.71 0.09 -0.80 -1.11 0.00 0.00 175.55 173.02 3h0c s ASN 196 N 1.34 5.23 0.00 2.29 0.01 -0.89 -0.90 114.94 122.02 3h0c s ASN 196 Ca 0.02 -0.44 0.00 0.00 -0.71 0.00 0.00 52.86 51.73 3h0c s ASN 196 Cb -0.15 -1.93 0.00 0.00 0.41 0.00 0.00 41.25 39.58 3h0c s ASN 196 CO -0.06 -0.12 0.00 0.61 -1.51 0.00 0.00 177.10 176.01 3h0c n GLY 197 N 4.92 1.05 3.18 0.66 0.00 -0.59 -4.23 105.19 110.18 3h0c n GLY 197 Ca -0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 3h0c n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3h0c s ILE 198 N -3.61 1.10 0.49 -0.61 -4.36 -1.26 -0.78 121.20 112.18 3h0c s ILE 198 Ca 0.00 -1.39 -0.12 0.00 -0.26 0.00 0.00 60.65 58.88 3h0c s ILE 198 Cb 0.00 -1.15 -0.06 0.00 1.25 0.00 0.00 42.46 42.50 3h0c s ILE 198 CO 0.00 -0.29 0.90 0.42 0.24 0.00 0.00 174.94 176.21 3h0c s THR 199 N -1.52 4.69 0.75 8.37 -4.23 0.40 -4.72 115.64 119.38 3h0c s THR 199 Ca -0.00 0.85 -0.06 0.00 -1.18 0.00 0.00 61.69 61.30 3h0c s THR 199 Cb -0.09 -3.76 0.16 0.00 1.34 0.00 0.00 72.50 70.15 3h0c s THR 199 CO 0.02 -0.73 1.03 -0.90 -0.54 0.00 0.00 174.62 173.50 3h0c n ASP 200 N -1.75 0.74 0.04 3.99 5.75 -1.26 -4.79 116.55 119.28 3h0c n ASP 200 Ca 0.04 -1.78 -0.12 0.00 -0.01 0.00 0.00 54.79 52.92 3h0c n ASP 200 Cb 0.54 -0.73 -0.06 0.00 -1.03 0.00 0.00 41.12 39.85 3h0c n ASP 200 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3h0c h TRP 201 N -1.06 -1.02 -0.76 2.11 7.01 -1.99 -0.88 115.95 119.35 3h0c h TRP 201 Ca -0.34 0.04 -0.05 0.00 2.11 0.00 0.00 58.89 60.65 3h0c h TRP 201 Cb 1.09 0.46 -0.03 0.00 -2.10 0.00 0.00 29.16 28.57 3h0c h TRP 201 CO 0.00 -0.45 0.26 -0.24 -2.79 0.00 0.00 178.44 175.23 3h0c h VAL 202 N -0.50 1.26 -0.09 2.65 3.04 -1.95 -1.32 116.25 119.34 3h0c h VAL 202 Ca 0.07 -0.87 -0.12 0.00 -1.01 0.00 0.00 66.70 64.76 3h0c h VAL 202 Cb 0.60 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 30.26 3h0c h VAL 202 CO -0.32 0.35 -0.49 1.88 -1.01 0.00 0.00 177.57 177.98 3h0c h TYR 203 N 1.12 0.28 0.13 3.17 -1.99 -1.91 0.23 116.97 118.01 3h0c h TYR 203 Ca 0.25 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.88 3h0c h TYR 203 Cb 0.27 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 38.94 3h0c h TYR 203 CO 0.02 0.68 -0.06 1.49 -0.00 0.00 0.00 178.16 180.28 3h0c h GLU 204 N 0.19 -0.17 0.11 4.88 4.81 -0.90 -0.19 114.58 123.30 3h0c h GLU 204 Ca 0.01 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3h0c h GLU 204 Cb 0.93 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.35 3h0c h GLU 204 CO 0.07 0.07 -0.05 1.49 -0.73 0.00 0.00 179.01 179.86 3h0c h GLU 205 N -0.40 -0.14 0.00 1.92 4.57 -1.16 -2.65 114.58 116.72 3h0c h GLU 205 Ca -0.02 0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 3h0c h GLU 205 Cb 0.32 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 3h0c h GLU 205 CO 0.03 0.35 -1.48 0.39 -1.18 0.00 0.00 179.01 177.12 3h0c n GLU 206 N -4.85 0.63 -0.02 1.92 -0.58 0.81 -4.46 120.64 114.10 3h0c n GLU 206 Ca -0.07 0.05 -0.02 0.00 -0.42 0.00 0.00 57.16 56.69 3h0c n GLU 206 Cb 0.27 -1.72 -0.01 0.00 -0.57 0.00 0.00 31.44 29.42 3h0c n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3h0c n VAL 207 N -2.62 0.57 0.90 2.62 0.31 -1.09 -4.86 118.33 114.17 3h0c n VAL 207 Ca -0.06 0.29 0.10 0.00 -0.01 0.00 0.00 64.34 64.66 3h0c n VAL 207 Cb 0.67 -1.64 0.04 0.00 -0.91 0.00 0.00 33.84 32.00 3h0c n VAL 207 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3h0c n PHE 208 N -3.17 0.00 -4.28 3.52 3.72 -0.10 -4.97 117.46 112.18 3h0c n PHE 208 Ca -0.04 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.05 3h0c n PHE 208 Cb 0.14 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.59 3h0c n PHE 208 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3h0c n SER 209 N 0.48 0.55 -3.58 4.37 7.64 -1.00 -4.91 113.62 117.17 3h0c n SER 209 Ca 0.10 -1.23 -0.11 0.00 1.01 0.00 0.00 58.87 58.64 3h0c n SER 209 Cb 0.47 -1.54 -0.05 0.00 -1.01 0.00 0.00 64.21 62.09 3h0c n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h0c s ALA 210 N -4.18 -1.93 0.22 -0.43 0.00 -1.19 -4.99 121.76 109.26 3h0c s ALA 210 Ca 0.11 1.61 0.05 0.00 0.00 0.00 0.00 51.96 53.73 3h0c s ALA 210 Cb -0.07 -0.76 0.19 0.00 0.00 0.00 0.00 23.12 22.48 3h0c s ALA 210 CO 0.97 -0.30 1.51 -0.92 0.00 0.00 0.00 175.76 177.02 3h0c h TYR 211 N 2.78 0.23 -3.33 0.00 3.20 -1.89 -3.38 116.97 114.57 3h0c h TYR 211 Ca -0.20 -0.10 -0.53 0.00 3.14 0.00 0.00 58.73 61.04 3h0c h TYR 211 Cb 1.16 -0.04 0.05 0.00 1.54 0.00 0.00 36.73 39.44 3h0c h TYR 211 CO 0.30 0.81 0.72 0.45 -1.64 0.00 0.00 178.16 178.80 3h0c s SER 212 N -6.89 6.75 -0.27 -2.11 0.15 -1.26 -0.45 113.70 109.62 3h0c s SER 212 Ca -0.03 2.55 0.13 0.00 0.70 0.00 0.00 55.95 59.30 3h0c s SER 212 Cb 0.12 -2.61 0.48 0.00 -1.71 0.00 0.00 66.02 62.29 3h0c s SER 212 CO 0.80 -0.64 1.16 0.00 1.20 0.00 0.00 173.24 175.76 3h0c n ALA 213 N 2.61 4.08 -2.47 5.45 0.00 0.04 -4.67 120.51 125.56 3h0c n ALA 213 Ca 0.07 -3.39 -0.31 0.00 0.00 0.00 0.00 53.44 49.81 3h0c n ALA 213 Cb 0.41 -0.53 -0.16 0.00 0.00 0.00 0.00 19.45 19.17 3h0c n ALA 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h0c s LEU 214 N -3.62 2.07 -0.30 0.00 1.43 -1.25 -2.59 118.68 114.42 3h0c s LEU 214 Ca 0.42 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 3h0c s LEU 214 Cb 0.38 -1.36 0.12 0.00 0.03 0.00 0.00 46.19 45.36 3h0c s LEU 214 CO 0.01 0.29 0.23 0.26 0.23 0.00 0.00 176.35 177.37 3h0c s TRP 215 N -0.45 -0.02 0.43 0.29 0.51 0.41 -5.01 118.94 115.11 3h0c s TRP 215 Ca 0.05 -0.67 -0.24 0.00 -2.12 0.00 0.00 56.10 53.12 3h0c s TRP 215 Cb -0.11 -0.68 -0.08 0.00 -0.81 0.00 0.00 33.47 31.79 3h0c s TRP 215 CO 0.01 -0.88 1.24 -1.58 -0.51 0.00 0.00 176.95 175.23 3h0c s TRP 216 N 2.03 2.84 0.63 -1.98 0.52 -1.26 -1.09 118.94 120.63 3h0c s TRP 216 Ca 0.11 1.48 -0.16 0.00 0.02 0.00 0.00 56.10 57.55 3h0c s TRP 216 Cb -0.16 -3.54 -0.01 0.00 -1.15 0.00 0.00 33.47 28.61 3h0c s TRP 216 CO -0.28 -1.83 1.11 -1.54 0.02 0.00 0.00 176.95 174.42 3h0c s SER 217 N -1.02 5.29 0.43 2.95 1.04 -0.66 -4.92 113.70 116.81 3h0c s SER 217 Ca 0.60 2.01 0.12 0.00 0.48 0.00 0.00 55.95 59.16 3h0c s SER 217 Cb -0.34 -2.55 0.98 0.00 0.10 0.00 0.00 66.02 64.21 3h0c s SER 217 CO 0.42 -1.51 2.00 -0.65 0.98 0.00 0.00 173.24 174.49 3h0c h PRO 218 N 0.27 0.43 -0.42 4.02 0.11 -1.92 0.12 132.00 134.61 3h0c h PRO 218 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3h0c h PRO 218 Cb 1.25 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3h0c h PRO 218 CO 0.55 0.29 0.20 -0.97 -0.21 0.00 0.00 178.00 177.85 3h0c h ASN 219 N 0.45 0.56 0.00 -2.05 -0.73 -1.92 -3.40 115.58 108.49 3h0c h ASN 219 Ca 0.24 -0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.27 3h0c h ASN 219 Cb 0.36 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.81 3h0c h ASN 219 CO -0.06 0.54 0.00 0.61 -0.37 0.00 0.00 177.43 178.15 3h0c n GLY 220 N -0.86 0.92 0.30 1.57 0.00 0.42 -4.54 105.19 103.00 3h0c n GLY 220 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3h0c n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h0c h THR 221 N 0.00 1.01 -3.37 2.61 2.02 -1.92 -3.44 112.91 109.81 3h0c h THR 221 Ca 0.00 -0.30 -0.65 0.00 0.77 0.00 0.00 66.41 66.23 3h0c h THR 221 Cb 0.00 0.06 -0.14 0.00 -1.74 0.00 0.00 68.15 66.33 3h0c h THR 221 CO 0.00 0.16 -0.71 -0.36 0.37 0.00 0.00 175.52 174.97 3h0c s PHE 222 N -6.07 2.78 -0.27 3.16 0.08 -1.26 -0.72 117.98 115.68 3h0c s PHE 222 Ca -0.13 -0.14 0.03 0.00 0.12 0.00 0.00 56.93 56.81 3h0c s PHE 222 Cb 0.18 -1.42 0.07 0.00 -0.57 0.00 0.00 43.02 41.27 3h0c s PHE 222 CO 0.78 0.46 -0.08 -1.17 -0.10 0.00 0.00 175.22 175.11 3h0c s LEU 223 N -2.40 3.56 0.03 -0.37 0.20 -0.53 -1.65 118.68 117.52 3h0c s LEU 223 Ca 0.23 -1.50 -0.20 0.00 0.69 0.00 0.00 54.13 53.35 3h0c s LEU 223 Cb -0.11 -1.52 -0.06 0.00 -0.43 0.00 0.00 46.19 44.07 3h0c s LEU 223 CO 0.15 -0.23 0.59 0.00 -0.29 0.00 0.00 176.35 176.57 3h0c s ALA 224 N 1.10 3.53 0.10 5.97 0.00 -0.25 -1.07 121.76 131.15 3h0c s ALA 224 Ca -0.05 0.04 -0.12 0.00 0.00 0.00 0.00 51.96 51.82 3h0c s ALA 224 Cb -0.20 -2.70 0.02 0.00 0.00 0.00 0.00 23.12 20.24 3h0c s ALA 224 CO -0.06 0.27 0.29 1.52 0.00 0.00 0.00 175.76 177.78 3h0c s TYR 225 N -0.61 -0.02 0.12 0.00 -0.85 -0.58 -0.45 117.35 114.96 3h0c s TYR 225 Ca 0.30 -0.34 0.07 0.00 -0.52 0.00 0.00 57.07 56.58 3h0c s TYR 225 Cb -0.19 0.09 -0.04 0.00 0.38 0.00 0.00 41.96 42.20 3h0c s TYR 225 CO 0.18 -0.61 -0.07 0.00 -1.52 0.00 0.00 175.55 173.53 3h0c s ALA 226 N -3.76 3.05 -0.07 9.51 0.00 -1.07 -1.15 121.76 128.27 3h0c s ALA 226 Ca 0.03 -1.26 0.05 0.00 0.00 0.00 0.00 51.96 50.79 3h0c s ALA 226 Cb 0.03 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 3h0c s ALA 226 CO -0.11 0.61 -0.25 -1.14 0.00 0.00 0.00 175.76 174.88 3h0c s GLN 227 N -2.40 2.71 -0.06 0.00 0.74 0.05 -1.54 119.66 119.15 3h0c s GLN 227 Ca 0.23 -0.89 0.04 0.00 0.05 0.00 0.00 55.36 54.79 3h0c s GLN 227 Cb -0.11 -2.20 -0.02 0.00 1.10 0.00 0.00 33.01 31.78 3h0c s GLN 227 CO 0.15 0.31 -0.16 -0.06 -0.55 0.00 0.00 175.29 174.98 3h0c s PHE 228 N 0.02 2.66 -0.25 1.67 0.08 -0.08 -1.57 117.98 120.50 3h0c s PHE 228 Ca -0.09 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 56.66 3h0c s PHE 228 Cb -0.15 -1.64 0.04 0.00 -0.57 0.00 0.00 43.02 40.70 3h0c s PHE 228 CO 0.06 0.08 -0.08 1.21 -0.10 0.00 0.00 175.22 176.38 3h0c s ASN 229 N -0.53 4.32 -0.35 1.36 3.84 -0.50 -1.24 114.94 121.85 3h0c s ASN 229 Ca 0.07 -1.10 0.07 0.00 0.21 0.00 0.00 52.86 52.11 3h0c s ASN 229 Cb -0.12 -1.61 0.54 0.00 -0.55 0.00 0.00 41.25 39.51 3h0c s ASN 229 CO 0.01 -0.16 1.58 0.47 -2.79 0.00 0.00 177.10 176.22 3h0c n ASP 230 N 4.58 3.12 0.01 -4.21 9.92 0.77 -1.81 116.55 128.93 3h0c n ASP 230 Ca -0.16 -3.76 -0.12 0.00 -0.53 0.00 0.00 54.79 50.23 3h0c n ASP 230 Cb 0.45 -0.69 -0.07 0.00 -0.64 0.00 0.00 41.12 40.17 3h0c n ASP 230 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 3h0c h THR 231 N 1.06 1.11 -0.54 -3.53 2.02 -1.88 -3.10 112.91 108.05 3h0c h THR 231 Ca 0.34 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.21 3h0c h THR 231 Cb 1.88 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 3h0c h THR 231 CO 0.63 0.09 0.00 -0.62 0.37 0.00 0.00 175.52 175.99 3h0c n GLU 232 N -4.99 2.45 -2.48 6.66 1.02 -1.26 -4.89 120.64 117.15 3h0c n GLU 232 Ca -0.07 -2.23 -0.42 0.00 -0.02 0.00 0.00 57.16 54.42 3h0c n GLU 232 Cb 0.09 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.98 3h0c n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h0c s VAL 233 N -1.29 4.29 0.67 2.62 1.01 -1.17 -4.66 120.40 121.87 3h0c s VAL 233 Ca 0.41 1.61 -0.15 0.00 0.00 0.00 0.00 61.98 63.86 3h0c s VAL 233 Cb 0.22 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.57 3h0c s VAL 233 CO 0.30 0.01 1.13 -2.84 0.00 0.00 0.00 175.10 173.70 3h0c s PRO 234 N 2.12 2.69 -0.10 2.72 0.02 -1.26 -4.75 135.00 136.43 3h0c s PRO 234 Ca 0.55 1.47 -0.03 0.00 0.02 0.00 0.00 61.00 63.01 3h0c s PRO 234 Cb -0.24 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 32.31 3h0c s PRO 234 CO 0.22 -1.35 0.01 -0.51 -0.33 0.00 0.00 177.00 175.05 3h0c s LEU 235 N -4.88 3.63 -0.12 -5.54 1.43 -1.26 -1.74 118.68 110.20 3h0c s LEU 235 Ca 0.69 0.14 -0.20 0.00 -1.03 0.00 0.00 54.13 53.73 3h0c s LEU 235 Cb -0.22 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 3h0c s LEU 235 CO 0.42 0.35 0.54 -0.51 0.23 0.00 0.00 176.35 177.37 3h0c s ILE 236 N -0.68 5.14 -0.11 -0.59 1.10 0.47 -4.87 121.20 121.66 3h0c s ILE 236 Ca 0.11 1.08 0.03 0.00 -0.51 0.00 0.00 60.65 61.37 3h0c s ILE 236 Cb -0.12 -3.88 0.00 0.00 0.15 0.00 0.00 42.46 38.62 3h0c s ILE 236 CO 0.02 0.28 -0.23 -1.61 -2.11 0.00 0.00 174.94 171.30 3h0c s GLU 237 N 0.83 3.07 0.22 3.50 2.02 -1.26 -1.70 118.70 125.37 3h0c s GLU 237 Ca 0.29 -0.86 -0.07 0.00 0.02 0.00 0.00 54.97 54.34 3h0c s GLU 237 Cb -0.16 -2.35 -0.02 0.00 0.10 0.00 0.00 34.13 31.71 3h0c s GLU 237 CO 0.12 0.15 0.31 1.52 0.02 0.00 0.00 175.26 177.37 3h0c s TYR 238 N 0.43 0.69 0.07 1.61 -0.85 -0.85 -4.98 117.35 113.46 3h0c s TYR 238 Ca -0.16 -0.99 -0.13 0.00 -0.52 0.00 0.00 57.07 55.26 3h0c s TYR 238 Cb -0.17 -0.15 -0.06 0.00 0.38 0.00 0.00 41.96 41.96 3h0c s TYR 238 CO 0.07 -0.81 0.45 -1.12 -1.52 0.00 0.00 175.55 172.62 3h0c s SER 239 N -3.07 6.77 -0.13 -0.18 0.01 -1.26 0.09 113.70 115.94 3h0c s SER 239 Ca 0.28 0.95 -0.00 0.00 1.31 0.00 0.00 55.95 58.49 3h0c s SER 239 Cb 0.03 -2.24 0.03 0.00 0.21 0.00 0.00 66.02 64.05 3h0c s SER 239 CO 0.09 0.22 -0.08 0.12 0.41 0.00 0.00 173.24 173.99 3h0c s PHE 240 N -1.28 1.67 -0.10 2.43 5.36 0.80 -4.67 117.98 122.18 3h0c s PHE 240 Ca 0.31 -0.92 0.15 0.00 -0.96 0.00 0.00 56.93 55.51 3h0c s PHE 240 Cb -0.16 -1.32 -0.12 0.00 -0.34 0.00 0.00 43.02 41.09 3h0c s PHE 240 CO 0.17 -0.57 0.95 1.88 -1.46 0.00 0.00 175.22 176.19 3h0c h TYR 241 N 8.14 0.00 -1.35 10.12 0.05 -1.95 -0.25 116.97 131.73 3h0c h TYR 241 Ca -0.30 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.48 3h0c h TYR 241 Cb 1.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.87 3h0c h TYR 241 CO 0.47 0.64 0.00 0.45 -1.05 0.00 0.00 178.16 178.67 3h0c n SER 242 N -3.00 -4.06 -4.75 3.88 2.88 -1.26 -4.77 113.62 102.55 3h0c n SER 242 Ca -0.08 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.14 3h0c n SER 242 Cb 0.85 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.40 3h0c n SER 242 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 3h0c s ASP 243 N -4.00 4.45 0.26 -3.46 1.01 -1.26 -4.91 116.67 108.75 3h0c s ASP 243 Ca 0.00 2.02 -0.05 0.00 0.71 0.00 0.00 52.55 55.24 3h0c s ASP 243 Cb 0.00 -2.55 0.51 0.00 1.01 0.00 0.00 42.92 41.89 3h0c s ASP 243 CO 0.00 -2.08 1.64 -0.08 0.21 0.00 0.00 175.17 174.86 3h0c h GLU 244 N -0.69 0.14 0.00 8.23 4.81 -2.05 -0.27 114.58 124.75 3h0c h GLU 244 Ca -0.45 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3h0c h GLU 244 Cb 1.25 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3h0c h GLU 244 CO 0.51 0.09 0.43 0.66 -0.73 0.00 0.00 179.01 179.97 3h0c h SER 245 N 0.14 0.00 -2.21 1.04 4.64 -1.95 -3.40 113.55 111.81 3h0c h SER 245 Ca 0.45 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.24 3h0c h SER 245 Cb 0.82 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.85 3h0c h SER 245 CO -0.65 0.00 1.17 -0.22 -0.87 0.00 0.00 176.83 176.26 3h0c s LEU 246 N -5.16 3.21 0.13 5.97 0.20 -0.11 -4.91 118.68 118.00 3h0c s LEU 246 Ca -0.02 -0.14 -0.22 0.00 0.69 0.00 0.00 54.13 54.43 3h0c s LEU 246 Cb 0.06 -2.55 -0.03 0.00 -0.43 0.00 0.00 46.19 43.24 3h0c s LEU 246 CO 0.19 -2.05 1.67 -0.61 -0.29 0.00 0.00 176.35 175.26 3h0c h GLN 247 N 11.94 -0.16 -5.90 1.98 4.15 -1.88 -3.41 115.11 121.81 3h0c h GLN 247 Ca -0.27 0.01 -0.67 0.00 0.77 0.00 0.00 58.65 58.48 3h0c h GLN 247 Cb 1.09 0.04 -0.22 0.00 0.21 0.00 0.00 27.48 28.60 3h0c h GLN 247 CO 1.26 -0.11 -0.73 0.71 -1.93 0.00 0.00 178.83 178.03 3h0c s TYR 248 N -6.15 2.86 0.43 3.99 1.51 -1.26 -5.11 117.35 113.62 3h0c s TYR 248 Ca -0.14 -0.21 -0.25 0.00 -1.01 0.00 0.00 57.07 55.46 3h0c s TYR 248 Cb 0.10 -1.75 -0.08 0.00 -0.11 0.00 0.00 41.96 40.12 3h0c s TYR 248 CO 0.68 0.13 1.30 -2.14 -1.11 0.00 0.00 175.55 174.40 3h0c s PRO 249 N -0.38 3.81 0.50 -1.71 0.02 -1.26 -5.02 135.00 130.96 3h0c s PRO 249 Ca 0.05 2.12 -0.14 0.00 0.02 0.00 0.00 61.00 63.05 3h0c s PRO 249 Cb -0.12 -2.63 -0.07 0.00 0.02 0.00 0.00 34.50 31.70 3h0c s PRO 249 CO 0.02 -0.61 0.92 0.15 -0.33 0.00 0.00 177.00 177.16 3h0c s LYS 250 N -2.41 3.83 -0.15 5.54 -0.14 -0.11 -4.88 119.74 121.43 3h0c s LYS 250 Ca 0.60 0.76 -0.03 0.00 -1.36 0.00 0.00 55.97 55.94 3h0c s LYS 250 Cb -0.37 -2.21 -0.03 0.00 -1.68 0.00 0.00 37.83 33.54 3h0c s LYS 250 CO 0.47 -0.25 -0.05 0.99 -0.76 0.00 0.00 175.35 175.75 3h0c s THR 251 N -2.64 3.75 -0.16 2.17 2.01 -1.26 -0.14 115.64 119.36 3h0c s THR 251 Ca 0.56 -0.41 -0.11 0.00 0.31 0.00 0.00 61.69 62.03 3h0c s THR 251 Cb -0.10 -2.63 -0.05 0.00 0.01 0.00 0.00 72.50 69.74 3h0c s THR 251 CO 0.35 0.50 0.21 -0.69 -0.69 0.00 0.00 174.62 174.30 3h0c s VAL 252 N 0.29 5.37 -0.16 3.82 1.01 0.11 -4.94 120.40 125.90 3h0c s VAL 252 Ca -0.05 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.30 3h0c s VAL 252 Cb -0.14 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.73 3h0c s VAL 252 CO 0.03 0.46 -0.13 -0.13 0.00 0.00 0.00 175.10 175.34 3h0c s ARG 253 N 0.08 2.20 -0.08 2.72 0.52 -1.26 -2.01 118.95 121.12 3h0c s ARG 253 Ca 0.13 -0.63 0.02 0.00 -0.52 0.00 0.00 55.73 54.73 3h0c s ARG 253 Cb -0.12 -2.18 0.01 0.00 0.52 0.00 0.00 34.95 33.18 3h0c s ARG 253 CO 0.02 -0.29 -0.15 0.08 0.02 0.00 0.00 175.30 174.98 3h0c s VAL 254 N 1.47 1.37 -0.23 3.52 1.01 -0.69 -4.94 120.40 121.91 3h0c s VAL 254 Ca 0.03 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 3h0c s VAL 254 Cb -0.14 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 3h0c s VAL 254 CO -0.10 0.41 1.82 -2.84 0.00 0.00 0.00 175.10 174.39 3h0c s PRO 255 N 0.76 3.56 -0.23 2.72 0.02 -1.26 -0.39 135.00 140.18 3h0c s PRO 255 Ca -0.12 1.75 -0.03 0.00 0.02 0.00 0.00 61.00 62.62 3h0c s PRO 255 Cb -0.16 -4.16 0.12 0.00 0.02 0.00 0.00 34.50 30.32 3h0c s PRO 255 CO 0.02 -1.59 0.35 -0.47 -0.33 0.00 0.00 177.00 174.99 3h0c s TYR 256 N 6.22 -0.72 -0.38 6.54 6.14 -0.71 -4.51 117.35 129.93 3h0c s TYR 256 Ca 0.81 0.80 -0.24 0.00 0.64 0.00 0.00 57.07 59.08 3h0c s TYR 256 Cb -0.27 -0.02 0.01 0.00 0.42 0.00 0.00 41.96 42.10 3h0c s TYR 256 CO 0.33 -0.67 0.85 -1.25 0.64 0.00 0.00 175.55 175.46 3h0c s PRO 257 N 2.51 3.74 0.75 4.97 0.04 -1.26 -4.53 135.00 141.22 3h0c s PRO 257 Ca 0.10 0.37 -0.11 0.00 0.04 0.00 0.00 61.00 61.40 3h0c s PRO 257 Cb -0.15 -3.83 0.04 0.00 0.04 0.00 0.00 34.50 30.60 3h0c s PRO 257 CO -0.15 -0.94 1.09 0.15 0.04 0.00 0.00 177.00 177.19 3h0c s LYS 258 N 3.32 2.49 0.07 4.56 1.02 -1.26 -0.79 119.74 129.15 3h0c s LYS 258 Ca 0.34 0.66 -0.37 0.00 0.02 0.00 0.00 55.97 56.62 3h0c s LYS 258 Cb -0.12 -1.96 -0.18 0.00 -0.52 0.00 0.00 37.83 35.05 3h0c s LYS 258 CO 0.19 -1.34 1.19 0.00 -0.92 0.00 0.00 175.35 174.47 3h0c n ALA 259 N -3.25 -2.05 0.00 5.17 0.00 -0.49 -1.55 120.51 118.34 3h0c n ALA 259 Ca 0.07 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.05 3h0c n ALA 259 Cb 0.56 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.07 3h0c n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h0c n GLY 260 N 2.06 3.06 2.83 0.00 0.00 -1.26 -4.89 105.19 106.99 3h0c n GLY 260 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 3h0c n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h0c n ALA 261 N -0.50 -3.07 -2.64 4.61 0.00 -0.60 -4.97 120.51 113.34 3h0c n ALA 261 Ca 0.00 -1.32 -0.42 0.00 0.00 0.00 0.00 53.44 51.69 3h0c n ALA 261 Cb 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.32 3h0c n ALA 261 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3h0c s VAL 262 N -2.50 4.67 0.21 0.00 1.01 -1.26 -4.96 120.40 117.56 3h0c s VAL 262 Ca 0.58 1.92 -0.02 0.00 0.00 0.00 0.00 61.98 64.45 3h0c s VAL 262 Cb -0.06 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 3h0c s VAL 262 CO 0.45 0.13 0.42 0.20 0.00 0.00 0.00 175.10 176.29 3h0c s ASN 263 N 1.05 6.42 0.37 3.32 0.02 -1.26 -4.40 114.94 120.46 3h0c s ASN 263 Ca 0.53 0.50 -0.28 0.00 -1.02 0.00 0.00 52.86 52.59 3h0c s ASN 263 Cb -0.23 -2.05 -0.10 0.00 0.02 0.00 0.00 41.25 38.89 3h0c s ASN 263 CO 0.27 -0.06 1.43 -2.16 0.02 0.00 0.00 177.10 176.60 3h0c s PRO 264 N -3.25 4.12 0.45 -0.60 0.04 -1.26 -4.86 135.00 129.64 3h0c s PRO 264 Ca 0.40 2.45 -0.05 0.00 0.04 0.00 0.00 61.00 63.84 3h0c s PRO 264 Cb -0.11 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.44 3h0c s PRO 264 CO 0.28 -0.48 0.74 0.95 0.04 0.00 0.00 177.00 178.54 3h0c s THR 265 N -1.14 4.94 0.05 1.26 -4.23 -0.75 -4.88 115.64 110.89 3h0c s THR 265 Ca 0.53 0.11 0.04 0.00 -1.18 0.00 0.00 61.69 61.19 3h0c s THR 265 Cb -0.44 -3.86 -0.03 0.00 1.34 0.00 0.00 72.50 69.52 3h0c s THR 265 CO 0.59 -0.78 -0.12 0.54 -0.54 0.00 0.00 174.62 174.32 3h0c s VAL 266 N -2.64 0.89 0.01 2.29 0.11 -1.26 -1.40 120.40 118.39 3h0c s VAL 266 Ca 0.46 -1.14 -0.00 0.00 -2.93 0.00 0.00 61.98 58.37 3h0c s VAL 266 Cb -0.10 -0.87 -0.01 0.00 -1.53 0.00 0.00 36.38 33.87 3h0c s VAL 266 CO 0.42 -0.24 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.41 3h0c s LYS 267 N -1.54 0.14 -0.08 1.54 1.02 -0.61 -4.99 119.74 115.22 3h0c s LYS 267 Ca -0.04 -0.26 0.04 0.00 0.02 0.00 0.00 55.97 55.72 3h0c s LYS 267 Cb -0.09 0.05 -0.01 0.00 -0.52 0.00 0.00 37.83 37.25 3h0c s LYS 267 CO 0.01 -0.02 -0.20 0.12 -0.92 0.00 0.00 175.35 174.35 3h0c s PHE 268 N -0.63 2.60 0.18 3.18 5.36 -1.26 -0.77 117.98 126.64 3h0c s PHE 268 Ca -0.07 -0.61 0.04 0.00 -0.96 0.00 0.00 56.93 55.34 3h0c s PHE 268 Cb -0.04 -1.67 -0.05 0.00 -0.34 0.00 0.00 43.02 40.92 3h0c s PHE 268 CO -0.00 -0.14 -0.07 -0.06 -1.46 0.00 0.00 175.22 173.48 3h0c s PHE 269 N -0.13 1.39 -0.04 10.12 0.40 -0.30 -0.87 117.98 128.55 3h0c s PHE 269 Ca -0.03 -0.81 -0.01 0.00 -0.60 0.00 0.00 56.93 55.48 3h0c s PHE 269 Cb -0.14 -0.74 0.03 0.00 0.51 0.00 0.00 43.02 42.68 3h0c s PHE 269 CO 0.04 0.06 0.07 0.08 0.70 0.00 0.00 175.22 176.16 3h0c s VAL 270 N -3.34 -0.10 -0.12 -0.44 1.01 0.68 -1.53 120.40 116.56 3h0c s VAL 270 Ca 0.21 0.32 -0.05 0.00 0.00 0.00 0.00 61.98 62.46 3h0c s VAL 270 Cb 0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.23 3h0c s VAL 270 CO 0.04 0.13 0.07 -0.69 0.00 0.00 0.00 175.10 174.65 3h0c s VAL 271 N 1.65 4.88 -0.47 2.92 1.01 -0.23 -1.14 120.40 129.02 3h0c s VAL 271 Ca -0.02 -0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.69 3h0c s VAL 271 Cb -0.12 -3.11 0.03 0.00 0.00 0.00 0.00 36.38 33.17 3h0c s VAL 271 CO -0.04 0.58 0.88 0.21 0.00 0.00 0.00 175.10 176.74 3h0c s ASN 272 N -0.71 6.45 0.36 3.32 3.84 -1.26 -1.45 114.94 125.48 3h0c s ASN 272 Ca 0.12 -0.03 0.24 0.00 0.21 0.00 0.00 52.86 53.40 3h0c s ASN 272 Cb -0.12 -2.43 0.49 0.00 -0.55 0.00 0.00 41.25 38.64 3h0c s ASN 272 CO 0.03 -1.03 1.65 0.74 -2.79 0.00 0.00 177.10 175.70 3h0c h THR 273 N 6.04 0.00 0.00 -5.21 2.02 -1.25 -3.11 112.91 111.41 3h0c h THR 273 Ca -0.25 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.11 3h0c h THR 273 Cb 1.08 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 3h0c h THR 273 CO 1.01 0.00 -0.20 0.44 0.37 0.00 0.00 175.52 177.14 3h0c h ASP 274 N 0.00 0.00 -1.15 4.18 3.32 -1.91 -3.30 116.42 117.55 3h0c h ASP 274 Ca 0.00 -0.04 -0.65 0.00 0.02 0.00 0.00 57.03 56.35 3h0c h ASP 274 Cb 0.91 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.13 3h0c h ASP 274 CO 0.00 0.02 0.34 -1.54 -1.72 0.00 0.00 179.24 176.34 3h0c n SER 275 N -2.46 6.71 -4.61 6.45 3.41 -1.17 -4.99 113.62 116.96 3h0c n SER 275 Ca 0.04 -3.78 -0.34 0.00 -0.26 0.00 0.00 58.87 54.53 3h0c n SER 275 Cb 0.46 -0.79 -0.10 0.00 -0.26 0.00 0.00 64.21 63.53 3h0c n SER 275 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3h0c s LEU 276 N -3.79 3.62 0.12 1.04 1.43 -1.24 -4.95 118.68 114.90 3h0c s LEU 276 Ca 0.58 0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.74 3h0c s LEU 276 Cb 0.46 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 3h0c s LEU 276 CO -0.08 0.21 -0.08 -0.94 0.23 0.00 0.00 176.35 175.69 3h0c s SER 277 N 0.12 1.39 0.00 2.29 1.04 -1.26 -5.06 113.70 112.22 3h0c s SER 277 Ca 0.03 -1.01 0.22 0.00 0.48 0.00 0.00 55.95 55.67 3h0c s SER 277 Cb -0.13 0.06 0.59 0.00 0.10 0.00 0.00 66.02 66.64 3h0c s SER 277 CO 0.01 -0.42 1.48 -1.54 0.98 0.00 0.00 173.24 173.75 3h0c n SER 278 N -0.10 2.45 -0.11 7.02 3.41 -1.26 -4.03 113.62 121.00 3h0c n SER 278 Ca -0.11 -1.84 -0.24 0.00 -0.26 0.00 0.00 58.87 56.42 3h0c n SER 278 Cb 0.61 -0.15 -0.11 0.00 -0.26 0.00 0.00 64.21 64.29 3h0c n SER 278 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3h0c n VAL 279 N 0.85 1.55 -3.49 -3.33 0.31 -1.26 -4.96 118.33 107.99 3h0c n VAL 279 Ca 0.17 -0.17 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 3h0c n VAL 279 Cb 0.46 -1.97 -0.05 0.00 -0.91 0.00 0.00 33.84 31.37 3h0c n VAL 279 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3h0c s THR 280 N -2.42 5.00 0.52 2.52 2.01 -1.26 -5.09 115.64 116.93 3h0c s THR 280 Ca -0.31 0.39 -0.19 0.00 0.31 0.00 0.00 61.69 61.89 3h0c s THR 280 Cb 0.08 -3.63 -0.07 0.00 0.01 0.00 0.00 72.50 68.89 3h0c s THR 280 CO 0.58 0.02 1.05 0.20 -0.69 0.00 0.00 174.62 175.78 3h0c s ASN 281 N -2.27 6.12 0.26 3.53 -0.87 -1.26 -4.57 114.94 115.88 3h0c s ASN 281 Ca 0.44 1.92 -0.30 0.00 -1.57 0.00 0.00 52.86 53.35 3h0c s ASN 281 Cb -0.12 -2.55 -0.10 0.00 -0.02 0.00 0.00 41.25 38.46 3h0c s ASN 281 CO 0.22 -0.94 1.40 0.00 -2.57 0.00 0.00 177.10 175.21 3h0c s ALA 282 N -2.10 3.59 -0.22 0.60 0.00 -1.26 -4.99 121.76 117.38 3h0c s ALA 282 Ca 0.67 1.29 -0.06 0.00 0.00 0.00 0.00 51.96 53.86 3h0c s ALA 282 Cb -0.17 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.40 3h0c s ALA 282 CO 0.26 -0.70 0.01 0.99 0.00 0.00 0.00 175.76 176.32 3h0c s THR 283 N -0.22 3.96 -0.06 0.00 2.01 -1.26 -5.01 115.64 115.06 3h0c s THR 283 Ca 0.57 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 62.28 3h0c s THR 283 Cb -0.41 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 3h0c s THR 283 CO 0.45 0.40 -0.06 -0.44 -0.69 0.00 0.00 174.62 174.28 3h0c s SER 284 N 1.29 4.71 -0.18 3.53 0.01 -1.26 -4.52 113.70 117.28 3h0c s SER 284 Ca 0.04 -0.02 -0.14 0.00 1.31 0.00 0.00 55.95 57.14 3h0c s SER 284 Cb -0.15 -1.19 -0.04 0.00 0.21 0.00 0.00 66.02 64.85 3h0c s SER 284 CO 0.01 0.35 0.31 -0.63 0.41 0.00 0.00 173.24 173.69 3h0c s ILE 285 N -0.85 5.29 -0.15 1.44 -1.09 -0.29 -4.87 121.20 120.66 3h0c s ILE 285 Ca 0.13 0.56 -0.20 0.00 -2.23 0.00 0.00 60.65 58.91 3h0c s ILE 285 Cb -0.11 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 3h0c s ILE 285 CO 0.03 0.35 0.58 -1.58 -1.23 0.00 0.00 174.94 173.09 3h0c s GLN 286 N 0.71 4.28 -0.30 2.79 0.74 -1.26 -0.23 119.66 126.40 3h0c s GLN 286 Ca 0.16 0.58 -0.11 0.00 0.05 0.00 0.00 55.36 56.04 3h0c s GLN 286 Cb -0.13 -3.51 -0.04 0.00 1.10 0.00 0.00 33.01 30.42 3h0c s GLN 286 CO 0.05 -0.06 0.20 0.42 -0.55 0.00 0.00 175.29 175.35 3h0c s ILE 287 N 1.33 5.29 0.41 -2.34 1.01 -0.05 -4.97 121.20 121.87 3h0c s ILE 287 Ca 0.29 0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.94 3h0c s ILE 287 Cb -0.16 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 3h0c s ILE 287 CO 0.12 0.17 0.70 0.42 0.00 0.00 0.00 174.94 176.35 3h0c s THR 288 N 1.75 4.95 0.68 2.92 -4.23 -1.26 -3.98 115.64 116.47 3h0c s THR 288 Ca 0.07 0.09 -0.15 0.00 -1.18 0.00 0.00 61.69 60.51 3h0c s THR 288 Cb -0.16 -3.83 0.01 0.00 1.34 0.00 0.00 72.50 69.86 3h0c s THR 288 CO 0.11 -0.66 1.16 0.00 -0.54 0.00 0.00 174.62 174.68 3h0c s ALA 289 N -2.50 2.33 0.75 3.99 0.00 -1.26 -4.99 121.76 120.07 3h0c s ALA 289 Ca 0.46 0.73 -0.15 0.00 0.00 0.00 0.00 51.96 52.99 3h0c s ALA 289 Cb -0.10 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.66 3h0c s ALA 289 CO 0.39 -1.50 1.08 -2.30 0.00 0.00 0.00 175.76 173.42 3h0c n PRO 290 N -2.45 0.47 0.15 0.00 -0.02 -1.26 -4.72 135.00 127.16 3h0c n PRO 290 Ca 0.12 0.22 0.16 0.00 -2.02 0.00 0.00 63.50 61.98 3h0c n PRO 290 Cb 0.51 -2.33 0.74 0.00 -0.02 0.00 0.00 33.50 32.40 3h0c n PRO 290 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h0c h ALA 291 N -0.39 2.08 0.00 3.55 0.00 -1.99 -0.38 119.26 122.12 3h0c h ALA 291 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3h0c h ALA 291 Cb 1.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3h0c h ALA 291 CO 0.47 -0.35 0.00 -1.13 0.00 0.00 0.00 179.25 178.24 3h0c n SER 292 N -4.16 0.00 -0.08 0.00 3.41 -1.26 -3.52 113.62 108.01 3h0c n SER 292 Ca 0.03 -0.95 -0.11 0.00 -0.26 0.00 0.00 58.87 57.59 3h0c n SER 292 Cb 0.36 -0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.24 3h0c n SER 292 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3h0c n MET 293 N -1.00 0.45 0.01 4.33 2.00 -0.18 -4.54 117.12 118.18 3h0c n MET 293 Ca 0.23 0.09 0.03 0.00 0.00 0.00 0.00 57.70 58.04 3h0c n MET 293 Cb 0.10 -1.32 0.12 0.00 0.00 0.00 0.00 33.22 32.12 3h0c n MET 293 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3h0c n LEU 294 N -2.95 0.02 0.00 4.03 4.32 -1.02 -2.50 117.00 118.90 3h0c n LEU 294 Ca -0.28 0.51 0.11 0.00 -0.02 0.00 0.00 56.01 56.33 3h0c n LEU 294 Cb 0.80 -0.51 0.51 0.00 -1.62 0.00 0.00 43.42 42.61 3h0c n LEU 294 CO 0.16 -0.43 0.86 0.00 -1.22 0.00 0.00 177.39 176.76 3h0c n ILE 295 N -1.53 0.40 -2.68 -0.08 0.13 -1.23 -4.92 119.36 109.45 3h0c n ILE 295 Ca 0.01 0.10 0.00 0.00 -1.10 0.00 0.00 62.75 61.76 3h0c n ILE 295 Cb 0.06 -0.72 0.00 0.00 -0.84 0.00 0.00 39.64 38.14 3h0c n ILE 295 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3h0c n GLY 296 N 0.73 1.84 3.76 4.50 0.00 -1.04 -5.14 105.19 109.83 3h0c n GLY 296 Ca 0.08 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 3h0c n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h0c s ASP 297 N 1.26 6.80 0.16 1.61 1.11 -1.26 -4.99 116.67 121.37 3h0c s ASP 297 Ca 0.00 2.63 -0.21 0.00 0.18 0.00 0.00 52.55 55.16 3h0c s ASP 297 Cb 0.00 -2.64 0.06 0.00 1.07 0.00 0.00 42.92 41.40 3h0c s ASP 297 CO 0.00 -0.53 0.56 -1.38 1.18 0.00 0.00 175.17 175.00 3h0c s HIS 298 N -0.90 -0.41 0.21 4.23 -3.43 -1.26 -1.10 115.29 112.63 3h0c s HIS 298 Ca 0.50 0.16 0.11 0.00 -0.80 0.00 0.00 55.06 55.03 3h0c s HIS 298 Cb -0.39 0.49 -0.05 0.00 -1.43 0.00 0.00 32.58 31.20 3h0c s HIS 298 CO 0.50 -0.85 -0.19 0.71 -2.00 0.00 0.00 174.74 172.91 3h0c s TYR 299 N -3.78 2.38 -0.34 0.38 2.02 0.19 -4.80 117.35 113.39 3h0c s TYR 299 Ca 0.03 -0.32 -0.19 0.00 -0.37 0.00 0.00 57.07 56.21 3h0c s TYR 299 Cb -0.01 -1.13 -0.00 0.00 -0.40 0.00 0.00 41.96 40.42 3h0c s TYR 299 CO -0.11 0.56 0.58 -1.17 -1.57 0.00 0.00 175.55 173.84 3h0c s LEU 300 N -2.95 4.27 -0.00 -1.29 0.20 -1.26 -0.84 118.68 116.81 3h0c s LEU 300 Ca 0.24 0.13 0.11 0.00 0.69 0.00 0.00 54.13 55.31 3h0c s LEU 300 Cb -0.07 -2.70 -0.13 0.00 -0.43 0.00 0.00 46.19 42.85 3h0c s LEU 300 CO 0.12 -0.52 0.45 0.00 -0.29 0.00 0.00 176.35 176.12 3h0c s ASP 302 N -2.26 -0.64 -0.05 0.00 2.15 -1.14 -4.92 116.67 109.82 3h0c s ASP 302 Ca 0.03 1.06 -0.01 0.00 0.43 0.00 0.00 52.55 54.06 3h0c s ASP 302 Cb 0.08 1.04 0.03 0.00 -0.30 0.00 0.00 42.92 43.77 3h0c s ASP 302 CO 0.47 -0.34 0.02 -0.69 -0.17 0.00 0.00 175.17 174.46 3h0c s VAL 303 N -0.19 0.16 -0.05 1.11 1.01 -1.26 -1.67 120.40 119.52 3h0c s VAL 303 Ca -0.04 0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 3h0c s VAL 303 Cb -0.03 -0.34 0.03 0.00 0.00 0.00 0.00 36.38 36.04 3h0c s VAL 303 CO 0.04 0.21 0.08 -0.89 0.00 0.00 0.00 175.10 174.53 3h0c s THR 304 N 1.86 -0.14 0.10 3.92 2.01 -0.66 -5.05 115.64 117.68 3h0c s THR 304 Ca 0.02 0.42 -0.30 0.00 0.31 0.00 0.00 61.69 62.14 3h0c s THR 304 Cb -0.12 -0.18 -0.06 0.00 0.01 0.00 0.00 72.50 72.15 3h0c s THR 304 CO -0.04 0.17 1.11 0.26 -0.69 0.00 0.00 174.62 175.44 3h0c s TRP 305 N 2.19 3.56 -0.09 4.92 0.52 -1.26 -1.45 118.94 127.32 3h0c s TRP 305 Ca 0.05 1.51 -0.04 0.00 0.02 0.00 0.00 56.10 57.64 3h0c s TRP 305 Cb -0.12 -3.29 -0.01 0.00 -1.15 0.00 0.00 33.47 28.90 3h0c s TRP 305 CO -0.03 -0.72 -0.07 0.00 0.02 0.00 0.00 176.95 176.15 3h0c h ALA 306 N 6.10 0.00 -3.37 0.98 0.00 -1.07 -3.47 119.26 118.43 3h0c h ALA 306 Ca -0.43 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3h0c h ALA 306 Cb 1.21 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3h0c h ALA 306 CO 0.76 0.21 0.00 0.25 0.00 0.00 0.00 179.25 180.47 3h0c n THR 307 N -4.10 0.00 0.30 0.00 -2.24 -1.07 -4.78 114.28 102.40 3h0c n THR 307 Ca -0.03 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.93 3h0c n THR 307 Cb 0.11 0.00 0.96 0.00 -2.10 0.00 0.00 70.33 69.30 3h0c n THR 307 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3h0c h GLN 308 N 0.00 0.00 0.00 -0.78 1.08 -1.96 -3.18 115.11 110.27 3h0c h GLN 308 Ca 0.00 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 3h0c h GLN 308 Cb 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 27.33 3h0c h GLN 308 CO 0.00 0.03 -0.51 0.39 -0.95 0.00 0.00 178.83 177.79 3h0c n GLU 309 N -3.36 0.74 -3.64 1.46 1.02 -1.26 -4.91 120.64 110.68 3h0c n GLU 309 Ca -0.02 -2.25 -0.10 0.00 -0.02 0.00 0.00 57.16 54.77 3h0c n GLU 309 Cb 0.15 -0.92 -0.11 0.00 -0.02 0.00 0.00 31.44 30.55 3h0c n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3h0c s ARG 310 N -1.57 0.27 -0.00 3.49 3.52 -1.20 -1.61 118.95 121.85 3h0c s ARG 310 Ca 0.26 0.92 0.01 0.00 -0.13 0.00 0.00 55.73 56.80 3h0c s ARG 310 Cb 0.26 0.17 -0.04 0.00 -1.56 0.00 0.00 34.95 33.79 3h0c s ARG 310 CO -0.05 -0.28 0.00 0.42 -0.81 0.00 0.00 175.30 174.58 3h0c s ILE 311 N 2.55 4.17 -0.18 4.11 1.09 -0.47 -0.40 121.20 132.08 3h0c s ILE 311 Ca -0.00 -0.60 -0.04 0.00 -1.10 0.00 0.00 60.65 58.92 3h0c s ILE 311 Cb -0.12 -2.86 -0.02 0.00 -1.06 0.00 0.00 42.46 38.39 3h0c s ILE 311 CO -0.12 0.37 -0.04 -0.55 -0.10 0.00 0.00 174.94 174.51 3h0c s SER 312 N -1.57 4.59 -0.03 3.58 0.15 -0.53 -0.40 113.70 119.50 3h0c s SER 312 Ca 0.20 -0.23 0.06 0.00 0.70 0.00 0.00 55.95 56.68 3h0c s SER 312 Cb -0.12 -1.76 -0.01 0.00 -1.71 0.00 0.00 66.02 62.42 3h0c s SER 312 CO 0.10 0.10 -0.21 -0.76 1.20 0.00 0.00 173.24 173.67 3h0c s LEU 313 N 0.75 2.02 -0.11 3.45 1.43 -0.45 -1.65 118.68 124.13 3h0c s LEU 313 Ca -0.02 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3h0c s LEU 313 Cb -0.15 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.92 3h0c s LEU 313 CO 0.02 0.24 -0.06 -1.10 0.23 0.00 0.00 176.35 175.68 3h0c s GLN 314 N -0.36 3.21 0.06 1.70 -0.21 -0.67 -0.77 119.66 122.62 3h0c s GLN 314 Ca 0.04 -0.54 0.08 0.00 0.02 0.00 0.00 55.36 54.96 3h0c s GLN 314 Cb -0.10 -2.74 -0.03 0.00 1.00 0.00 0.00 33.01 31.14 3h0c s GLN 314 CO 0.00 0.44 -0.18 -1.58 -2.12 0.00 0.00 175.29 171.85 3h0c s TRP 315 N -0.21 2.54 -0.04 0.91 0.52 -0.03 -1.44 118.94 121.21 3h0c s TRP 315 Ca 0.03 -0.26 0.05 0.00 0.02 0.00 0.00 56.10 55.94 3h0c s TRP 315 Cb -0.13 -1.43 -0.01 0.00 -1.15 0.00 0.00 33.47 30.75 3h0c s TRP 315 CO 0.03 0.28 -0.18 -1.17 0.02 0.00 0.00 176.95 175.92 3h0c s LEU 316 N -1.61 1.96 0.48 2.99 2.96 -0.02 -1.68 118.68 123.77 3h0c s LEU 316 Ca 0.15 -0.37 -0.20 0.00 -0.22 0.00 0.00 54.13 53.49 3h0c s LEU 316 Cb -0.10 -1.01 -0.09 0.00 0.50 0.00 0.00 46.19 45.49 3h0c s LEU 316 CO 0.06 0.18 1.04 -0.13 -1.32 0.00 0.00 176.35 176.18 3h0c s ARG 317 N -0.11 3.83 0.33 1.98 0.52 -1.02 0.53 118.95 125.02 3h0c s ARG 317 Ca -0.01 1.37 0.07 0.00 -0.52 0.00 0.00 55.73 56.63 3h0c s ARG 317 Cb -0.11 -2.12 0.74 0.00 0.52 0.00 0.00 34.95 33.98 3h0c s ARG 317 CO 0.02 -0.40 1.85 -0.09 0.02 0.00 0.00 175.30 176.69 3h0c h ARG 318 N 1.63 0.76 -6.36 3.54 2.43 -1.46 -3.01 114.38 111.90 3h0c h ARG 318 Ca -0.49 -0.05 -0.56 0.00 -0.81 0.00 0.00 59.98 58.07 3h0c h ARG 318 Cb 1.22 -0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 30.51 3h0c h ARG 318 CO 0.59 0.50 0.96 0.42 -1.51 0.00 0.00 179.97 180.93 3h0c s ILE 319 N -5.77 3.93 0.00 1.20 1.01 -1.26 -4.85 121.20 115.46 3h0c s ILE 319 Ca -0.11 0.56 -0.02 0.00 0.00 0.00 0.00 60.65 61.09 3h0c s ILE 319 Cb 0.22 -4.80 -0.10 0.00 0.01 0.00 0.00 42.46 37.80 3h0c s ILE 319 CO 0.80 -1.57 2.42 0.00 0.00 0.00 0.00 174.94 176.59 3h0c n GLN 320 N 8.75 1.27 -0.15 2.79 6.02 -1.14 -3.83 117.38 131.09 3h0c n GLN 320 Ca 0.05 -0.36 0.05 0.00 -0.01 0.00 0.00 57.00 56.73 3h0c n GLN 320 Cb 0.49 -1.41 0.12 0.00 1.02 0.00 0.00 30.24 30.46 3h0c n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3h0c n ASN 321 N 1.95 2.71 -3.69 1.08 0.23 -1.26 -1.83 115.26 114.45 3h0c n ASN 321 Ca 0.15 -2.36 -0.11 0.00 -0.53 0.00 0.00 54.58 51.74 3h0c n ASN 321 Cb 0.60 -0.25 -0.11 0.00 -2.08 0.00 0.00 39.78 37.95 3h0c n ASN 321 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3h0c s TYR 322 N -1.63 -0.57 0.02 -2.53 6.14 -1.25 -1.63 117.35 115.89 3h0c s TYR 322 Ca 0.21 1.21 0.00 0.00 0.64 0.00 0.00 57.07 59.12 3h0c s TYR 322 Cb 0.15 0.19 -0.02 0.00 0.42 0.00 0.00 41.96 42.70 3h0c s TYR 322 CO 0.07 -0.36 -0.03 -1.54 0.64 0.00 0.00 175.55 174.34 3h0c s SER 323 N 1.85 0.21 -0.11 4.32 1.04 0.03 -2.43 113.70 118.61 3h0c s SER 323 Ca -0.06 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 55.97 3h0c s SER 323 Cb -0.10 0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.12 3h0c s SER 323 CO -0.11 -0.24 -0.10 -0.69 0.98 0.00 0.00 173.24 173.08 3h0c s VAL 324 N -1.17 1.16 -0.09 5.02 1.01 -0.68 -0.64 120.40 125.01 3h0c s VAL 324 Ca -0.13 -0.39 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 3h0c s VAL 324 Cb -0.08 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 3h0c s VAL 324 CO -0.01 0.39 0.58 -0.32 0.00 0.00 0.00 175.10 175.74 3h0c s MET 325 N 1.51 4.38 -0.09 2.72 1.75 0.36 -0.85 119.30 129.09 3h0c s MET 325 Ca 0.02 0.65 0.04 0.00 -1.25 0.00 0.00 55.69 55.15 3h0c s MET 325 Cb -0.13 -3.44 -0.00 0.00 2.84 0.00 0.00 34.83 34.09 3h0c s MET 325 CO -0.07 0.11 -0.24 0.34 -0.65 0.00 0.00 175.02 174.51 3h0c s ASP 326 N 0.71 3.13 -0.20 1.11 2.15 0.05 -1.09 116.67 122.53 3h0c s ASP 326 Ca 0.31 -0.54 -0.05 0.00 0.43 0.00 0.00 52.55 52.70 3h0c s ASP 326 Cb -0.16 -1.33 -0.02 0.00 -0.30 0.00 0.00 42.92 41.10 3h0c s ASP 326 CO 0.14 0.17 0.00 -0.63 -0.17 0.00 0.00 175.17 174.69 3h0c s ILE 327 N 0.26 3.97 -0.08 4.11 1.09 -1.26 -1.34 121.20 127.95 3h0c s ILE 327 Ca -0.16 -0.31 0.04 0.00 -1.10 0.00 0.00 60.65 59.12 3h0c s ILE 327 Cb -0.17 -2.80 0.00 0.00 -1.06 0.00 0.00 42.46 38.43 3h0c s ILE 327 CO 0.08 0.42 -0.21 0.00 -0.10 0.00 0.00 174.94 175.14 3h0c s ASP 329 N 0.32 4.68 -0.11 0.00 1.11 -0.05 -1.36 116.67 121.25 3h0c s ASP 329 Ca -0.14 -0.13 -0.30 0.00 0.18 0.00 0.00 52.55 52.16 3h0c s ASP 329 Cb -0.16 -1.10 -0.01 0.00 1.07 0.00 0.00 42.92 42.71 3h0c s ASP 329 CO 0.06 0.28 1.05 -0.47 1.18 0.00 0.00 175.17 177.27 3h0c s TYR 330 N -1.01 3.43 -0.68 4.23 5.04 -0.63 -1.01 117.35 126.71 3h0c s TYR 330 Ca 0.17 1.51 -0.20 0.00 -2.44 0.00 0.00 57.07 56.11 3h0c s TYR 330 Cb -0.11 -3.24 0.10 0.00 0.35 0.00 0.00 41.96 39.06 3h0c s TYR 330 CO 0.08 -0.45 0.87 0.34 -1.34 0.00 0.00 175.55 175.05 3h0c s ASP 331 N 1.19 6.27 0.22 4.32 -1.08 0.99 -4.95 116.67 123.64 3h0c s ASP 331 Ca 0.49 -1.42 -0.13 0.00 -0.52 0.00 0.00 52.55 50.97 3h0c s ASP 331 Cb -0.19 -2.36 0.27 0.00 -1.46 0.00 0.00 42.92 39.19 3h0c s ASP 331 CO 0.17 -1.21 1.61 -0.08 0.52 0.00 0.00 175.17 176.18 3h0c h GLU 332 N 9.21 -0.02 0.10 4.34 4.81 -1.95 0.53 114.58 131.60 3h0c h GLU 332 Ca -0.20 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 3h0c h GLU 332 Cb 1.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3h0c h GLU 332 CO 1.12 -0.01 -0.05 0.66 -0.73 0.00 0.00 179.01 180.00 3h0c h SER 333 N -0.02 -0.11 0.98 1.04 4.64 -1.97 -3.28 113.55 114.83 3h0c h SER 333 Ca 0.33 -0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 61.44 3h0c h SER 333 Cb 0.53 0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.62 3h0c h SER 333 CO -0.74 -0.07 -0.98 -1.28 -0.87 0.00 0.00 176.83 172.89 3h0c h SER 334 N -0.14 0.00 -0.01 4.97 0.87 -1.80 -3.47 113.55 113.97 3h0c h SER 334 Ca -0.01 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 3h0c h SER 334 Cb 0.11 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 3h0c h SER 334 CO 0.02 0.98 -0.00 0.61 -0.53 0.00 0.00 176.83 177.91 3h0c n GLY 335 N 1.29 0.41 3.82 5.77 0.00 0.18 -5.05 105.19 111.60 3h0c n GLY 335 Ca -0.00 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.78 3h0c n GLY 335 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h0c s ARG 336 N -1.84 2.29 -0.09 1.61 0.52 -1.20 -4.91 118.95 115.32 3h0c s ARG 336 Ca 0.00 -1.87 0.03 0.00 -0.52 0.00 0.00 55.73 53.37 3h0c s ARG 336 Cb 0.00 -2.07 0.01 0.00 0.52 0.00 0.00 34.95 33.41 3h0c s ARG 336 CO 0.00 -0.30 -0.20 -1.58 0.02 0.00 0.00 175.30 173.25 3h0c s TRP 337 N -2.64 2.22 -0.10 -0.53 0.52 -1.26 -0.00 118.94 117.14 3h0c s TRP 337 Ca 0.38 -0.92 -0.01 0.00 0.02 0.00 0.00 56.10 55.57 3h0c s TRP 337 Cb 0.01 -1.52 -0.03 0.00 -1.15 0.00 0.00 33.47 30.78 3h0c s TRP 337 CO 0.22 -0.40 -0.06 -0.80 0.02 0.00 0.00 176.95 175.92 3h0c s ASN 338 N 0.51 4.63 -0.65 2.95 0.01 -0.18 -4.91 114.94 117.31 3h0c s ASN 338 Ca -0.16 -0.09 0.02 0.00 -0.71 0.00 0.00 52.86 51.92 3h0c s ASN 338 Cb -0.17 -1.42 0.16 0.00 0.41 0.00 0.00 41.25 40.23 3h0c s ASN 338 CO 0.06 0.28 0.44 0.00 -1.51 0.00 0.00 177.10 176.36 3h0c n LEU 340 N 2.76 3.97 -0.13 0.00 4.32 -1.26 -4.90 117.00 121.77 3h0c n LEU 340 Ca 0.12 1.08 0.18 0.00 -0.02 0.00 0.00 56.01 57.37 3h0c n LEU 340 Cb 0.35 -1.56 0.57 0.00 -1.62 0.00 0.00 43.42 41.15 3h0c n LEU 340 CO 0.32 0.11 1.21 0.58 -1.22 0.00 0.00 177.39 178.40 3h0c h VAL 341 N 3.66 0.75 -0.18 4.08 2.07 -1.98 -1.59 116.25 123.07 3h0c h VAL 341 Ca -0.44 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.03 3h0c h VAL 341 Cb 1.21 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3h0c h VAL 341 CO 0.91 0.05 0.14 0.00 0.02 0.00 0.00 177.57 178.69 3h0c h ALA 342 N 1.66 2.08 -0.01 1.67 0.00 -1.95 -2.15 119.26 120.56 3h0c h ALA 342 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3h0c h ALA 342 Cb 0.98 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3h0c h ALA 342 CO -0.09 -0.23 -0.15 0.54 0.00 0.00 0.00 179.25 179.32 3h0c n ARG 343 N -4.33 1.32 -2.07 0.00 5.12 -0.60 -4.68 116.66 111.42 3h0c n ARG 343 Ca 0.01 -0.84 -0.42 0.00 -1.93 0.00 0.00 57.85 54.68 3h0c n ARG 343 Cb 0.27 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 30.06 3h0c n ARG 343 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3h0c s GLN 344 N -2.26 4.29 -0.11 5.56 -0.21 -0.81 -4.38 119.66 121.74 3h0c s GLN 344 Ca 0.30 2.21 0.01 0.00 0.02 0.00 0.00 55.36 57.90 3h0c s GLN 344 Cb 0.20 -3.18 0.02 0.00 1.00 0.00 0.00 33.01 31.05 3h0c s GLN 344 CO 0.43 -0.45 -0.12 -1.01 -2.12 0.00 0.00 175.29 172.01 3h0c s HIS 345 N 0.68 1.78 -0.04 0.91 3.76 -0.25 -4.99 115.29 117.13 3h0c s HIS 345 Ca 0.64 -0.86 -0.16 0.00 -0.15 0.00 0.00 55.06 54.53 3h0c s HIS 345 Cb -0.40 -1.34 -0.05 0.00 1.11 0.00 0.00 32.58 31.90 3h0c s HIS 345 CO 0.35 -0.48 0.42 0.42 -0.85 0.00 0.00 174.74 174.60 3h0c s ILE 346 N 1.21 5.07 -0.13 0.60 1.01 -1.26 -0.48 121.20 127.22 3h0c s ILE 346 Ca -0.03 0.86 0.01 0.00 0.00 0.00 0.00 60.65 61.49 3h0c s ILE 346 Cb -0.14 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.61 3h0c s ILE 346 CO -0.04 0.50 -0.14 -0.70 0.00 0.00 0.00 174.94 174.56 3h0c s GLU 347 N -0.56 2.22 0.15 2.79 2.12 0.19 -5.00 118.70 120.62 3h0c s GLU 347 Ca 0.24 -0.54 0.05 0.00 0.36 0.00 0.00 54.97 55.08 3h0c s GLU 347 Cb -0.16 -1.99 -0.04 0.00 0.26 0.00 0.00 34.13 32.19 3h0c s GLU 347 CO 0.12 -0.17 -0.11 1.41 -0.54 0.00 0.00 175.26 175.97 3h0c s MET 348 N 1.31 1.08 -0.04 4.30 1.75 -1.26 -0.79 119.30 125.65 3h0c s MET 348 Ca 0.01 -1.45 -0.02 0.00 -1.25 0.00 0.00 55.69 52.98 3h0c s MET 348 Cb -0.14 -0.67 0.03 0.00 2.84 0.00 0.00 34.83 36.89 3h0c s MET 348 CO -0.07 0.09 0.09 0.45 -0.65 0.00 0.00 175.02 174.92 3h0c s SER 349 N -3.15 -0.03 0.13 1.11 0.15 -0.65 -4.92 113.70 106.35 3h0c s SER 349 Ca 0.17 0.17 0.22 0.00 0.70 0.00 0.00 55.95 57.21 3h0c s SER 349 Cb 0.02 0.07 -0.09 0.00 -1.71 0.00 0.00 66.02 64.31 3h0c s SER 349 CO 0.01 -0.13 0.89 0.35 1.20 0.00 0.00 173.24 175.57 3h0c n THR 350 N 4.09 0.44 0.12 6.45 -2.24 -1.26 -4.39 114.28 117.49 3h0c n THR 350 Ca -0.26 -0.52 0.11 0.00 -2.27 0.00 0.00 64.05 61.11 3h0c n THR 350 Cb 0.52 -0.23 -0.07 0.00 -2.10 0.00 0.00 70.33 68.45 3h0c n THR 350 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3h0c n THR 351 N -2.53 0.31 0.00 4.28 -2.24 -1.26 -5.06 114.28 107.77 3h0c n THR 351 Ca -0.01 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3h0c n THR 351 Cb 0.55 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 3h0c n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h0c n GLY 352 N 1.24 1.23 3.87 3.38 0.00 -1.26 -4.88 105.19 108.77 3h0c n GLY 352 Ca -0.01 0.25 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 3h0c n GLY 352 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3h0c s TRP 353 N 1.69 3.22 0.36 1.61 -2.14 -1.26 -4.55 118.94 117.86 3h0c s TRP 353 Ca 0.00 -0.08 -0.26 0.00 2.66 0.00 0.00 56.10 58.42 3h0c s TRP 353 Cb 0.00 -1.45 -0.09 0.00 -3.10 0.00 0.00 33.47 28.82 3h0c s TRP 353 CO 0.00 0.50 1.03 0.08 -2.66 0.00 0.00 176.95 175.89 3h0c s VAL 354 N -2.08 3.83 0.33 -0.66 1.01 -0.76 -4.84 120.40 117.23 3h0c s VAL 354 Ca 0.33 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.81 3h0c s VAL 354 Cb -0.08 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.47 3h0c s VAL 354 CO 0.26 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.08 3h0c n GLY 355 N 0.55 -2.41 0.28 4.51 0.00 -1.26 -4.17 105.19 102.69 3h0c n GLY 355 Ca 0.03 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 3h0c n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3h0c h ARG 356 N -0.94 -0.63 0.00 1.61 3.08 -1.94 -3.40 114.38 112.15 3h0c h ARG 356 Ca -0.06 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3h0c h ARG 356 Cb 0.92 0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3h0c h ARG 356 CO 0.03 -0.34 -0.75 1.19 -1.07 0.00 0.00 179.97 179.04 3h0c n PHE 357 N -5.23 0.00 -3.48 3.04 3.72 -1.26 -4.90 117.46 109.34 3h0c n PHE 357 Ca -0.10 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.18 3h0c n PHE 357 Cb 0.30 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.81 3h0c n PHE 357 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3h0c s ARG 358 N -1.69 1.04 0.18 -1.08 1.70 -1.26 -5.04 118.95 112.81 3h0c s ARG 358 Ca 0.00 -0.22 -0.32 0.00 -0.47 0.00 0.00 55.73 54.72 3h0c s ARG 358 Cb 0.00 0.48 -0.16 0.00 -0.57 0.00 0.00 34.95 34.70 3h0c s ARG 358 CO 0.00 -0.42 1.00 -2.30 -1.08 0.00 0.00 175.30 172.50 3h0c n PRO 359 N 0.02 0.85 -1.18 3.89 -0.02 -1.26 -4.39 135.00 132.91 3h0c n PRO 359 Ca -0.14 0.30 -0.31 0.00 -2.02 0.00 0.00 63.50 61.33 3h0c n PRO 359 Cb 0.62 -1.68 0.11 0.00 -0.02 0.00 0.00 33.50 32.53 3h0c n PRO 359 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3h0c s SER 360 N -0.31 4.04 0.39 2.55 1.04 -1.26 -4.95 113.70 115.20 3h0c s SER 360 Ca 0.70 1.78 -0.26 0.00 0.48 0.00 0.00 55.95 58.66 3h0c s SER 360 Cb -0.88 -2.44 -0.09 0.00 0.10 0.00 0.00 66.02 62.71 3h0c s SER 360 CO 0.55 -2.32 1.16 -1.61 0.98 0.00 0.00 173.24 172.00 3h0c s GLU 361 N -4.88 4.13 0.57 4.02 8.01 -1.26 -4.92 118.70 124.38 3h0c s GLU 361 Ca 0.62 1.82 -0.16 0.00 0.01 0.00 0.00 54.97 57.27 3h0c s GLU 361 Cb -0.18 -2.72 -0.05 0.00 -4.31 0.00 0.00 34.13 26.87 3h0c s GLU 361 CO 0.57 -0.25 1.04 -1.25 0.01 0.00 0.00 175.26 175.37 3h0c s PRO 362 N -2.22 3.48 -0.30 0.39 0.04 -1.26 -4.59 135.00 130.55 3h0c s PRO 362 Ca 0.56 1.14 -0.00 0.00 0.04 0.00 0.00 61.00 62.74 3h0c s PRO 362 Cb -0.30 -2.06 0.09 0.00 0.04 0.00 0.00 34.50 32.27 3h0c s PRO 362 CO 0.38 -0.67 0.07 -1.01 0.04 0.00 0.00 177.00 175.81 3h0c s HIS 363 N -2.49 2.06 0.35 0.56 3.76 0.12 -4.92 115.29 114.72 3h0c s HIS 363 Ca 0.62 -1.86 -0.25 0.00 -0.15 0.00 0.00 55.06 53.42 3h0c s HIS 363 Cb -0.14 -1.83 -0.10 0.00 1.11 0.00 0.00 32.58 31.62 3h0c s HIS 363 CO 0.35 -0.85 0.96 -0.06 -0.85 0.00 0.00 174.74 174.29 3h0c s PHE 364 N 1.50 3.57 0.83 1.40 0.08 -1.26 -1.38 117.98 122.71 3h0c s PHE 364 Ca 0.07 1.73 -0.10 0.00 0.12 0.00 0.00 56.93 58.75 3h0c s PHE 364 Cb -0.18 -2.95 0.09 0.00 -0.57 0.00 0.00 43.02 39.42 3h0c s PHE 364 CO -0.19 0.03 1.11 0.95 -0.10 0.00 0.00 175.22 177.02 3h0c s THR 365 N -1.71 2.91 0.24 0.64 -4.23 -0.54 -4.93 115.64 108.03 3h0c s THR 365 Ca 0.53 0.30 -0.06 0.00 -1.18 0.00 0.00 61.69 61.27 3h0c s THR 365 Cb -0.18 -2.64 0.26 0.00 1.34 0.00 0.00 72.50 71.28 3h0c s THR 365 CO 0.23 -0.39 1.65 -0.07 -0.54 0.00 0.00 174.62 175.50 3h0c h LEU 366 N -1.39 -0.24 -0.06 4.79 3.38 -1.94 -1.41 115.31 118.44 3h0c h LEU 366 Ca -0.44 0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3h0c h LEU 366 Cb 1.25 0.30 0.00 0.00 0.09 0.00 0.00 40.66 42.29 3h0c h LEU 366 CO 0.49 -0.14 0.00 -0.90 0.09 0.00 0.00 178.44 177.98 3h0c n ASP 367 N -5.29 0.16 -0.18 -0.43 5.68 -1.26 -4.86 116.55 110.37 3h0c n ASP 367 Ca 0.14 0.52 -0.02 0.00 -0.50 0.00 0.00 54.79 54.93 3h0c n ASP 367 Cb 0.47 -0.56 -0.01 0.00 -1.14 0.00 0.00 41.12 39.88 3h0c n ASP 367 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h0c n GLY 368 N 0.84 0.57 0.59 6.12 0.00 -0.53 -4.91 105.19 107.86 3h0c n GLY 368 Ca 0.05 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.68 3h0c n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h0c n ASN 369 N 0.70 2.08 -3.55 1.61 3.02 -1.26 -4.95 115.26 112.90 3h0c n ASN 369 Ca -0.02 -1.55 -0.12 0.00 -0.03 0.00 0.00 54.58 52.86 3h0c n ASN 369 Cb 0.12 0.22 -0.04 0.00 -0.61 0.00 0.00 39.78 39.46 3h0c n ASN 369 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3h0c s SER 370 N -2.28 -0.40 0.28 6.41 1.04 -1.26 -1.52 113.70 115.96 3h0c s SER 370 Ca 0.25 -0.06 -0.08 0.00 0.48 0.00 0.00 55.95 56.54 3h0c s SER 370 Cb 0.19 0.52 -0.00 0.00 0.10 0.00 0.00 66.02 66.83 3h0c s SER 370 CO 0.45 -0.85 0.45 0.72 0.98 0.00 0.00 173.24 175.00 3h0c s PHE 371 N -3.35 0.71 0.05 5.02 -0.12 -0.74 -1.47 117.98 118.08 3h0c s PHE 371 Ca -0.00 -1.02 0.06 0.00 -0.05 0.00 0.00 56.93 55.91 3h0c s PHE 371 Cb 0.00 0.02 -0.02 0.00 -0.63 0.00 0.00 43.02 42.39 3h0c s PHE 371 CO -0.09 -1.03 -0.16 0.71 -0.05 0.00 0.00 175.22 174.60 3h0c s TYR 372 N -3.60 1.40 -0.25 3.49 1.51 -0.48 -1.33 117.35 118.10 3h0c s TYR 372 Ca 0.27 -0.37 -0.19 0.00 -1.01 0.00 0.00 57.07 55.78 3h0c s TYR 372 Cb 0.00 -0.82 0.07 0.00 -0.11 0.00 0.00 41.96 41.10 3h0c s TYR 372 CO 0.14 0.06 0.64 0.21 -1.11 0.00 0.00 175.55 175.49 3h0c s LYS 373 N -1.23 0.70 0.06 -0.62 2.20 -0.93 -0.71 119.74 119.21 3h0c s LYS 373 Ca 0.03 1.01 -0.30 0.00 -0.36 0.00 0.00 55.97 56.35 3h0c s LYS 373 Cb -0.08 0.25 -0.05 0.00 -1.51 0.00 0.00 37.83 36.44 3h0c s LYS 373 CO 0.02 -0.12 1.01 0.42 -0.36 0.00 0.00 175.35 176.31 3h0c s ILE 374 N 0.92 4.57 -0.03 5.43 1.01 -1.26 -0.69 121.20 131.15 3h0c s ILE 374 Ca -0.05 1.97 -0.12 0.00 0.00 0.00 0.00 60.65 62.45 3h0c s ILE 374 Cb -0.05 -4.26 0.02 0.00 0.01 0.00 0.00 42.46 38.18 3h0c s ILE 374 CO -0.08 0.22 0.27 -0.63 0.00 0.00 0.00 174.94 174.72 3h0c s ILE 375 N 0.57 0.05 0.11 2.92 1.09 -0.65 -4.49 121.20 120.80 3h0c s ILE 375 Ca 0.51 -0.41 -0.31 0.00 -1.10 0.00 0.00 60.65 59.34 3h0c s ILE 375 Cb -0.23 -0.52 -0.08 0.00 -1.06 0.00 0.00 42.46 40.56 3h0c s ILE 375 CO 0.29 -0.22 1.43 -0.55 -0.10 0.00 0.00 174.94 175.79 3h0c s SER 376 N -0.98 6.78 0.75 3.58 0.15 -1.26 -1.29 113.70 121.43 3h0c s SER 376 Ca -0.11 2.37 -0.02 0.00 0.70 0.00 0.00 55.95 58.89 3h0c s SER 376 Cb -0.05 -2.58 0.13 0.00 -1.71 0.00 0.00 66.02 61.81 3h0c s SER 376 CO 0.03 -0.69 1.03 0.54 1.20 0.00 0.00 173.24 175.34 3h0c s ASN 377 N 1.22 4.22 0.41 5.45 6.03 -0.44 -4.89 114.94 126.94 3h0c s ASN 377 Ca 0.66 -0.29 0.27 0.00 -1.03 0.00 0.00 52.86 52.47 3h0c s ASN 377 Cb -0.38 -0.05 1.41 0.00 -3.03 0.00 0.00 41.25 39.21 3h0c s ASN 377 CO 0.30 -1.95 1.59 -0.33 -2.03 0.00 0.00 177.10 174.68 3h0c h GLU 378 N -0.64 0.03 -0.06 3.55 5.08 -1.96 0.31 114.58 120.89 3h0c h GLU 378 Ca -0.37 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3h0c h GLU 378 Cb 1.26 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3h0c h GLU 378 CO 0.40 0.02 0.00 0.39 -1.00 0.00 0.00 179.01 178.82 3h0c n GLU 379 N -4.92 1.92 -0.60 2.33 4.71 -1.26 -4.96 120.64 117.86 3h0c n GLU 379 Ca 0.39 -1.34 0.00 0.00 -0.01 0.00 0.00 57.16 56.20 3h0c n GLU 379 Cb 1.42 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 30.38 3h0c n GLU 379 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3h0c n GLY 380 N 1.24 0.74 3.88 0.62 0.00 0.11 -4.79 105.19 106.99 3h0c n GLY 380 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3h0c n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h0c s TYR 381 N -2.42 3.60 -0.16 1.61 1.51 -1.26 -0.73 117.35 119.49 3h0c s TYR 381 Ca 0.00 0.54 -0.21 0.00 -1.01 0.00 0.00 57.07 56.40 3h0c s TYR 381 Cb 0.00 -1.96 -0.03 0.00 -0.11 0.00 0.00 41.96 39.86 3h0c s TYR 381 CO 0.00 0.69 0.61 1.03 -1.11 0.00 0.00 175.55 176.77 3h0c s ARG 382 N -1.35 4.27 0.10 -0.62 0.52 -1.26 -1.33 118.95 119.28 3h0c s ARG 382 Ca 0.21 0.61 -0.10 0.00 -0.52 0.00 0.00 55.73 55.93 3h0c s ARG 382 Cb -0.13 -3.53 0.01 0.00 0.52 0.00 0.00 34.95 31.82 3h0c s ARG 382 CO 0.10 -0.12 0.24 -1.01 0.02 0.00 0.00 175.30 174.53 3h0c s HIS 383 N 1.50 0.10 -0.08 -0.53 3.76 -0.41 -1.33 115.29 118.29 3h0c s HIS 383 Ca 0.29 -0.50 -0.30 0.00 -0.15 0.00 0.00 55.06 54.40 3h0c s HIS 383 Cb -0.16 0.00 -0.03 0.00 1.11 0.00 0.00 32.58 33.51 3h0c s HIS 383 CO 0.11 -0.59 1.21 0.42 -0.85 0.00 0.00 174.74 175.04 3h0c s ILE 384 N -3.86 4.28 -0.06 0.60 1.01 -1.26 -1.64 121.20 120.27 3h0c s ILE 384 Ca 0.05 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.30 3h0c s ILE 384 Cb 0.04 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 3h0c s ILE 384 CO -0.10 -0.04 -0.05 0.00 0.00 0.00 0.00 174.94 174.75 3h0c s TYR 386 N -0.85 3.19 -0.05 0.00 5.04 0.39 -2.19 117.35 122.86 3h0c s TYR 386 Ca 0.13 -0.14 -0.02 0.00 -2.44 0.00 0.00 57.07 54.60 3h0c s TYR 386 Cb -0.11 -2.81 -0.04 0.00 0.35 0.00 0.00 41.96 39.36 3h0c s TYR 386 CO 0.02 -0.56 0.07 -0.06 -1.34 0.00 0.00 175.55 173.68 3h0c s PHE 387 N 2.13 3.30 -0.14 4.97 0.40 -0.44 -1.59 117.98 126.61 3h0c s PHE 387 Ca 0.13 0.27 0.01 0.00 -0.60 0.00 0.00 56.93 56.74 3h0c s PHE 387 Cb -0.17 -1.79 -0.00 0.00 0.51 0.00 0.00 43.02 41.57 3h0c s PHE 387 CO 0.13 0.56 -0.18 -0.65 0.70 0.00 0.00 175.22 175.78 3h0c s GLN 388 N -1.30 3.18 0.23 0.44 -0.21 -1.26 -1.79 119.66 118.94 3h0c s GLN 388 Ca 0.18 -0.78 -0.09 0.00 0.02 0.00 0.00 55.36 54.69 3h0c s GLN 388 Cb -0.12 -2.54 0.36 0.00 1.00 0.00 0.00 33.01 31.72 3h0c s GLN 388 CO 0.08 0.07 1.67 0.82 -2.12 0.00 0.00 175.29 175.81 3h0c h ILE 389 N 5.66 0.49 0.00 1.08 1.08 -1.65 -0.15 117.51 124.02 3h0c h ILE 389 Ca -0.29 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.12 3h0c h ILE 389 Cb 1.20 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 35.26 3h0c h ILE 389 CO 0.55 0.03 -0.32 0.47 -0.69 0.00 0.00 178.15 178.18 3h0c n ASP 390 N -5.24 0.72 -4.81 1.72 8.00 -1.26 -4.42 116.55 111.26 3h0c n ASP 390 Ca 0.11 0.32 -0.23 0.00 0.71 0.00 0.00 54.79 55.70 3h0c n ASP 390 Cb 0.40 -0.28 -0.05 0.00 -0.02 0.00 0.00 41.12 41.17 3h0c n ASP 390 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3h0c s LYS 391 N -3.13 2.88 0.80 -1.24 -0.14 -0.07 -4.84 119.74 114.00 3h0c s LYS 391 Ca 0.09 -1.03 -0.12 0.00 -1.36 0.00 0.00 55.97 53.54 3h0c s LYS 391 Cb 0.13 -2.56 0.07 0.00 -1.68 0.00 0.00 37.83 33.80 3h0c s LYS 391 CO 0.66 0.42 1.17 -1.59 -0.76 0.00 0.00 175.35 175.24 3h0c s LYS 392 N -3.65 2.08 2.12 1.68 -2.85 -1.26 -4.65 119.74 113.21 3h0c s LYS 392 Ca 0.32 0.17 0.00 0.00 -1.00 0.00 0.00 55.97 55.46 3h0c s LYS 392 Cb -0.08 -1.96 0.00 0.00 -2.06 0.00 0.00 37.83 33.73 3h0c s LYS 392 CO 0.24 -1.53 0.00 -0.25 0.10 0.00 0.00 175.35 173.92 3h0c n ASP 393 N -3.28 -2.87 -3.58 0.03 8.00 -1.26 -4.90 116.55 108.68 3h0c n ASP 393 Ca 0.08 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.50 3h0c n ASP 393 Cb 0.60 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.69 3h0c n ASP 393 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h0c s THR 395 N -3.43 1.74 -0.07 0.00 2.01 -0.62 -4.90 115.64 110.37 3h0c s THR 395 Ca 0.15 -0.76 -0.30 0.00 0.31 0.00 0.00 61.69 61.09 3h0c s THR 395 Cb -0.05 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.82 3h0c s THR 395 CO 0.09 0.47 1.09 -0.36 -0.69 0.00 0.00 174.62 175.22 3h0c s PHE 396 N 1.42 3.40 -1.70 4.92 0.08 -1.26 0.15 117.98 124.97 3h0c s PHE 396 Ca 0.05 1.44 0.22 0.00 0.12 0.00 0.00 56.93 58.75 3h0c s PHE 396 Cb -0.13 -3.28 -0.07 0.00 -0.57 0.00 0.00 43.02 38.96 3h0c s PHE 396 CO -0.11 -0.68 1.02 0.44 -0.10 0.00 0.00 175.22 175.78 3h0c n ILE 397 N 4.50 0.00 -4.18 0.64 -5.35 -0.07 -4.93 119.36 109.96 3h0c n ILE 397 Ca 0.09 -0.19 -0.13 0.00 -0.27 0.00 0.00 62.75 62.25 3h0c n ILE 397 Cb 0.48 1.18 -0.10 0.00 -1.74 0.00 0.00 39.64 39.46 3h0c n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3h0c s THR 398 N -2.59 0.89 0.23 7.28 -4.23 -1.25 -4.94 115.64 111.03 3h0c s THR 398 Ca 0.15 -1.81 -0.22 0.00 -1.18 0.00 0.00 61.69 58.63 3h0c s THR 398 Cb 0.17 -1.54 0.04 0.00 1.34 0.00 0.00 72.50 72.51 3h0c s THR 398 CO 0.64 -0.70 0.68 -1.59 -0.54 0.00 0.00 174.62 173.11 3h0c s LYS 399 N -3.31 1.56 0.00 3.99 -2.85 -1.26 -4.65 119.74 113.22 3h0c s LYS 399 Ca 0.09 -0.77 0.00 0.00 -1.00 0.00 0.00 55.97 54.30 3h0c s LYS 399 Cb 0.01 0.59 0.00 0.00 -2.06 0.00 0.00 37.83 36.37 3h0c s LYS 399 CO -0.01 -0.70 0.00 0.41 0.10 0.00 0.00 175.35 175.14 3h0c n GLY 400 N -0.43 3.36 2.40 0.59 0.00 -1.26 -4.90 105.19 104.96 3h0c n GLY 400 Ca -0.09 -1.83 -0.40 0.00 0.00 0.00 0.00 46.02 43.70 3h0c n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h0c n THR 401 N -1.54 4.50 -3.85 2.61 -2.24 -1.26 -4.72 114.28 107.78 3h0c n THR 401 Ca 0.00 -3.11 -0.09 0.00 -2.27 0.00 0.00 64.05 58.58 3h0c n THR 401 Cb 0.00 -2.47 0.00 0.00 -2.10 0.00 0.00 70.33 65.76 3h0c n THR 401 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 3h0c s TRP 402 N 1.35 0.14 0.02 4.78 1.48 -1.26 -5.04 118.94 120.41 3h0c s TRP 402 Ca 0.63 -0.71 0.03 0.00 -1.06 0.00 0.00 56.10 54.99 3h0c s TRP 402 Cb 0.18 0.70 -0.01 0.00 -1.16 0.00 0.00 33.47 33.17 3h0c s TRP 402 CO -0.07 -1.43 -0.09 -1.21 -4.06 0.00 0.00 176.95 170.09 3h0c s GLU 403 N -2.84 0.64 -0.06 3.25 2.02 -1.26 -4.50 118.70 115.94 3h0c s GLU 403 Ca 0.16 -0.51 -0.30 0.00 0.02 0.00 0.00 54.97 54.35 3h0c s GLU 403 Cb -0.05 -0.58 -0.03 0.00 0.10 0.00 0.00 34.13 33.58 3h0c s GLU 403 CO 0.11 0.14 1.11 0.08 0.02 0.00 0.00 175.26 176.72 3h0c s VAL 404 N -0.65 4.49 -0.01 2.63 1.01 -0.45 -2.78 120.40 124.65 3h0c s VAL 404 Ca -0.01 1.79 -0.16 0.00 0.00 0.00 0.00 61.98 63.60 3h0c s VAL 404 Cb -0.06 -4.15 -0.34 0.00 0.00 0.00 0.00 36.38 31.84 3h0c s VAL 404 CO 0.00 0.03 0.88 0.40 0.00 0.00 0.00 175.10 176.41 3h0c h ILE 405 N 4.98 1.23 -2.36 2.22 5.03 -1.17 -3.45 117.51 123.99 3h0c h ILE 405 Ca -0.34 -2.61 0.01 0.00 -0.12 0.00 0.00 64.86 61.79 3h0c h ILE 405 Cb 1.17 2.99 -0.16 0.00 -3.03 0.00 0.00 36.82 37.79 3h0c h ILE 405 CO 0.85 0.80 0.31 -0.83 -0.68 0.00 0.00 178.15 178.60 3h0c s GLY 406 N -4.71 -0.53 -0.10 5.37 0.00 -1.11 -5.01 107.32 101.24 3h0c s GLY 406 Ca -0.12 1.06 -0.17 0.00 0.00 0.00 0.00 44.72 45.49 3h0c s GLY 406 CO 0.90 0.56 0.44 -0.42 0.00 0.00 0.00 173.10 174.57 3h0c s ILE 407 N -2.49 5.16 -0.14 0.90 1.01 -1.26 -1.92 121.20 122.46 3h0c s ILE 407 Ca -0.02 0.88 -0.00 0.00 0.00 0.00 0.00 60.65 61.51 3h0c s ILE 407 Cb -0.01 -3.77 -0.09 0.00 0.01 0.00 0.00 42.46 38.60 3h0c s ILE 407 CO -0.03 0.39 -0.13 -0.62 0.00 0.00 0.00 174.94 174.54 3h0c n GLU 408 N 3.28 0.34 -3.68 2.79 -0.58 0.23 -4.97 120.64 118.04 3h0c n GLU 408 Ca -0.09 0.09 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 3h0c n GLU 408 Cb 0.52 -1.24 -0.07 0.00 -0.57 0.00 0.00 31.44 30.07 3h0c n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h0c s ALA 409 N -2.28 -1.01 -0.06 0.62 0.00 -0.95 -4.89 121.76 113.19 3h0c s ALA 409 Ca -0.19 0.43 -0.00 0.00 0.00 0.00 0.00 51.96 52.20 3h0c s ALA 409 Cb 0.05 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.41 3h0c s ALA 409 CO 0.31 -0.38 -0.02 -1.17 0.00 0.00 0.00 175.76 174.50 3h0c s LEU 410 N -1.68 0.99 0.44 0.00 0.20 -1.26 -1.47 118.68 115.90 3h0c s LEU 410 Ca -0.09 -0.11 0.03 0.00 0.69 0.00 0.00 54.13 54.66 3h0c s LEU 410 Cb -0.02 -0.45 -0.04 0.00 -0.43 0.00 0.00 46.19 45.26 3h0c s LEU 410 CO 0.01 -0.12 0.05 0.42 -0.29 0.00 0.00 176.35 176.42 3h0c s THR 411 N 1.41 1.17 0.10 3.68 -4.23 -0.42 -4.85 115.64 112.50 3h0c s THR 411 Ca -0.03 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 58.80 3h0c s THR 411 Cb -0.13 -2.46 0.35 0.00 1.34 0.00 0.00 72.50 71.59 3h0c s THR 411 CO -0.03 0.00 1.99 0.77 -0.54 0.00 0.00 174.62 176.81 3h0c h SER 412 N 1.66 0.00 0.00 3.99 4.64 -2.01 -3.18 113.55 118.65 3h0c h SER 412 Ca -0.41 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.64 3h0c h SER 412 Cb 1.28 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.32 3h0c h SER 412 CO 0.70 0.00 -2.00 0.47 -0.87 0.00 0.00 176.83 175.13 3h0c n ASP 413 N -2.75 2.07 -4.09 4.97 9.92 -1.26 -4.86 116.55 120.54 3h0c n ASP 413 Ca -0.01 -0.05 -0.14 0.00 -0.53 0.00 0.00 54.79 54.06 3h0c n ASP 413 Cb 0.17 0.28 -0.11 0.00 -0.64 0.00 0.00 41.12 40.81 3h0c n ASP 413 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3h0c s TYR 414 N -2.35 0.80 -0.15 1.24 2.02 -1.20 -1.13 117.35 116.57 3h0c s TYR 414 Ca -0.16 -0.51 -0.02 0.00 -0.37 0.00 0.00 57.07 56.02 3h0c s TYR 414 Cb 0.05 -0.47 -0.02 0.00 -0.40 0.00 0.00 41.96 41.13 3h0c s TYR 414 CO 0.50 -0.06 -0.09 -1.17 -1.57 0.00 0.00 175.55 173.16 3h0c s LEU 415 N -1.68 2.89 -0.17 -1.29 0.20 -0.85 -1.30 118.68 116.47 3h0c s LEU 415 Ca -0.07 -0.28 -0.05 0.00 0.69 0.00 0.00 54.13 54.42 3h0c s LEU 415 Cb -0.09 -1.68 -0.03 0.00 -0.43 0.00 0.00 46.19 43.96 3h0c s LEU 415 CO 0.01 0.14 -0.00 -0.31 -0.29 0.00 0.00 176.35 175.89 3h0c s TYR 416 N 0.51 3.09 0.02 5.38 1.51 -0.54 -1.15 117.35 126.17 3h0c s TYR 416 Ca -0.07 -0.21 -0.05 0.00 -1.01 0.00 0.00 57.07 55.74 3h0c s TYR 416 Cb -0.15 -2.01 -0.01 0.00 -0.11 0.00 0.00 41.96 39.68 3h0c s TYR 416 CO 0.04 -0.01 0.08 1.52 -1.11 0.00 0.00 175.55 176.07 3h0c s TYR 417 N 0.44 0.18 -0.03 2.71 1.13 -0.76 -0.60 117.35 120.41 3h0c s TYR 417 Ca -0.01 -0.43 -0.15 0.00 -1.41 0.00 0.00 57.07 55.07 3h0c s TYR 417 Cb -0.14 -0.14 -0.05 0.00 -1.10 0.00 0.00 41.96 40.53 3h0c s TYR 417 CO 0.02 -0.31 0.41 0.42 -2.51 0.00 0.00 175.55 173.58 3h0c s ILE 418 N -2.06 5.08 0.27 -3.49 -1.09 -0.81 0.00 121.20 119.11 3h0c s ILE 418 Ca -0.10 0.83 -0.04 0.00 -2.23 0.00 0.00 60.65 59.11 3h0c s ILE 418 Cb -0.05 -3.72 -0.01 0.00 -1.58 0.00 0.00 42.46 37.10 3h0c s ILE 418 CO -0.02 0.52 0.36 -0.94 -1.23 0.00 0.00 174.94 173.63 3h0c s SER 419 N -0.66 0.48 -0.29 3.58 1.04 -0.61 -0.57 113.70 116.67 3h0c s SER 419 Ca 0.23 -1.32 0.09 0.00 0.48 0.00 0.00 55.95 55.43 3h0c s SER 419 Cb -0.16 0.55 0.52 0.00 0.10 0.00 0.00 66.02 67.03 3h0c s SER 419 CO 0.12 -1.10 1.49 -0.46 0.98 0.00 0.00 173.24 174.27 3h0c n ASN 420 N -0.80 2.68 -0.08 7.02 2.04 -1.12 -1.61 115.26 123.39 3h0c n ASN 420 Ca 0.01 -3.70 -0.10 0.00 -0.44 0.00 0.00 54.58 50.35 3h0c n ASN 420 Cb 0.63 -0.64 -0.03 0.00 -2.53 0.00 0.00 39.78 37.21 3h0c n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 3h0c h GLU 421 N 1.07 0.39 -6.21 -3.83 4.81 -1.84 -3.33 114.58 105.65 3h0c h GLU 421 Ca 0.23 -0.06 -0.67 0.00 -0.13 0.00 0.00 59.36 58.74 3h0c h GLU 421 Cb 1.72 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 31.05 3h0c h GLU 421 CO 0.42 0.39 1.04 0.98 -0.73 0.00 0.00 179.01 181.11 3h0c n TYR 422 N -4.80 2.20 -1.68 0.92 9.36 -1.26 -1.64 117.16 120.26 3h0c n TYR 422 Ca -0.02 0.21 -0.18 0.00 3.32 0.00 0.00 57.90 61.23 3h0c n TYR 422 Cb 0.10 -2.58 -0.06 0.00 -0.63 0.00 0.00 39.34 36.17 3h0c n TYR 422 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3h0c n LYS 423 N 6.26 -1.28 -2.67 2.98 5.02 -1.26 -2.47 118.16 124.73 3h0c n LYS 423 Ca 0.25 1.08 -0.19 0.00 -2.02 0.00 0.00 58.31 57.43 3h0c n LYS 423 Cb 0.23 -5.39 0.00 0.00 -0.02 0.00 0.00 35.03 29.85 3h0c n LYS 423 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h0c n GLY 424 N -0.82 -0.50 3.35 0.72 0.00 -0.65 -4.95 105.19 102.33 3h0c n GLY 424 Ca -0.19 0.04 -0.45 0.00 0.00 0.00 0.00 46.02 45.42 3h0c n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h0c s MET 425 N -5.31 3.00 0.49 1.61 -1.94 -1.03 -4.95 119.30 111.17 3h0c s MET 425 Ca 0.12 -1.53 0.26 0.00 -1.71 0.00 0.00 55.69 52.82 3h0c s MET 425 Cb -0.06 -4.24 1.26 0.00 2.01 0.00 0.00 34.83 33.81 3h0c s MET 425 CO 0.14 -1.25 1.98 -1.35 -0.01 0.00 0.00 175.02 174.54 3h0c h PRO 426 N 8.87 0.00 -0.76 2.03 0.11 -1.88 -1.84 132.00 138.53 3h0c h PRO 426 Ca -0.29 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.78 3h0c h PRO 426 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3h0c h PRO 426 CO 0.99 0.16 0.04 0.41 -0.21 0.00 0.00 178.00 179.39 3h0c n GLY 427 N -0.38 2.56 3.63 -0.55 0.00 -1.26 -4.89 105.19 104.30 3h0c n GLY 427 Ca -0.01 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 3h0c n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h0c s GLY 428 N -0.49 2.06 -0.22 -0.02 0.00 -0.69 -2.10 107.32 105.86 3h0c s GLY 428 Ca 0.35 -1.95 -0.10 0.00 0.00 0.00 0.00 44.72 43.01 3h0c s GLY 428 CO 0.10 -1.90 0.52 0.50 0.00 0.00 0.00 173.10 172.32 3h0c s ARG 429 N -3.72 0.48 0.07 2.90 0.52 -0.55 -4.31 118.95 114.34 3h0c s ARG 429 Ca 0.35 1.07 0.02 0.00 -0.52 0.00 0.00 55.73 56.64 3h0c s ARG 429 Cb -0.00 0.26 -0.03 0.00 0.52 0.00 0.00 34.95 35.69 3h0c s ARG 429 CO 0.19 -0.19 -0.07 -0.80 0.02 0.00 0.00 175.30 174.46 3h0c s ASN 430 N 2.03 0.92 -0.08 0.23 0.01 -0.64 -0.91 114.94 116.50 3h0c s ASN 430 Ca -0.07 -0.77 -0.22 0.00 -0.71 0.00 0.00 52.86 51.09 3h0c s ASN 430 Cb -0.09 0.08 -0.04 0.00 0.41 0.00 0.00 41.25 41.61 3h0c s ASN 430 CO -0.15 -0.35 0.64 -0.22 -1.51 0.00 0.00 177.10 175.51 3h0c s LEU 431 N -2.29 4.30 0.43 0.60 2.96 -1.26 -1.58 118.68 121.85 3h0c s LEU 431 Ca 0.00 1.08 0.04 0.00 -0.22 0.00 0.00 54.13 55.04 3h0c s LEU 431 Cb -0.02 -2.98 -0.05 0.00 0.50 0.00 0.00 46.19 43.64 3h0c s LEU 431 CO -0.03 -0.09 0.03 -0.31 -1.32 0.00 0.00 176.35 174.63 3h0c s TYR 432 N 0.77 2.13 -0.15 5.38 1.51 0.10 -0.96 117.35 126.13 3h0c s TYR 432 Ca 0.34 -0.88 -0.09 0.00 -1.01 0.00 0.00 57.07 55.44 3h0c s TYR 432 Cb -0.17 -1.58 0.05 0.00 -0.11 0.00 0.00 41.96 40.15 3h0c s TYR 432 CO 0.16 0.23 0.37 0.21 -1.11 0.00 0.00 175.55 175.41 3h0c s LYS 433 N -3.80 0.36 -0.11 -0.62 2.20 -0.41 -1.83 119.74 115.52 3h0c s LYS 433 Ca 0.24 0.72 0.01 0.00 -0.36 0.00 0.00 55.97 56.57 3h0c s LYS 433 Cb 0.06 -0.03 -0.02 0.00 -1.51 0.00 0.00 37.83 36.34 3h0c s LYS 433 CO 0.12 -0.15 -0.14 0.42 -0.36 0.00 0.00 175.35 175.24 3h0c s ILE 434 N 1.28 2.96 -0.04 5.43 1.01 -0.30 -1.24 121.20 130.31 3h0c s ILE 434 Ca -0.09 -0.71 -0.30 0.00 0.00 0.00 0.00 60.65 59.56 3h0c s ILE 434 Cb -0.08 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 3h0c s ILE 434 CO -0.11 0.54 1.32 -1.58 0.00 0.00 0.00 174.94 175.11 3h0c s GLN 435 N 0.14 4.30 0.43 2.79 0.74 -0.83 -2.01 119.66 125.23 3h0c s GLN 435 Ca -0.07 1.84 0.22 0.00 0.05 0.00 0.00 55.36 57.39 3h0c s GLN 435 Cb -0.15 -3.60 0.92 0.00 1.10 0.00 0.00 33.01 31.29 3h0c s GLN 435 CO 0.05 -0.55 1.84 -0.07 -0.55 0.00 0.00 175.29 176.01 3h0c h LEU 436 N 8.46 0.00 -0.20 3.68 3.38 -1.46 -2.93 115.31 126.24 3h0c h LEU 436 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3h0c h LEU 436 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3h0c h LEU 436 CO 0.90 0.26 -0.26 -1.54 0.09 0.00 0.00 178.44 177.89 3h0c n SER 437 N -3.52 0.58 -3.20 -0.43 3.41 -1.26 -4.70 113.62 104.50 3h0c n SER 437 Ca -0.00 -0.43 0.01 0.00 -0.26 0.00 0.00 58.87 58.18 3h0c n SER 437 Cb 0.42 0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 3h0c n SER 437 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3h0c s ASP 438 N -2.71 -1.00 0.41 4.04 -1.08 -1.11 -5.04 116.67 110.18 3h0c s ASP 438 Ca 0.20 0.67 0.29 0.00 -0.52 0.00 0.00 52.55 53.19 3h0c s ASP 438 Cb 0.19 1.90 1.09 0.00 -1.46 0.00 0.00 42.92 44.64 3h0c s ASP 438 CO 0.57 -0.27 1.84 1.88 0.52 0.00 0.00 175.17 179.70 3h0c h TYR 439 N 8.04 0.00 0.00 -5.34 0.05 -1.84 -3.03 116.97 114.86 3h0c h TYR 439 Ca -0.21 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.50 3h0c h TYR 439 Cb 1.16 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.89 3h0c h TYR 439 CO 0.12 0.00 -0.34 1.79 -1.05 0.00 0.00 178.16 178.67 3h0c h THR 440 N 0.00 0.86 -1.59 -2.88 1.35 -1.92 -3.41 112.91 105.32 3h0c h THR 440 Ca 0.00 -1.40 -0.59 0.00 -0.55 0.00 0.00 66.41 63.87 3h0c h THR 440 Cb 0.52 1.86 -0.10 0.00 -1.73 0.00 0.00 68.15 68.70 3h0c h THR 440 CO 0.00 0.34 1.31 -0.54 -0.25 0.00 0.00 175.52 176.38 3h0c s LYS 441 N -3.69 3.46 -0.18 4.72 -0.14 -1.14 -4.96 119.74 117.80 3h0c s LYS 441 Ca -0.00 -0.89 0.00 0.00 -1.36 0.00 0.00 55.97 53.72 3h0c s LYS 441 Cb 0.11 -4.96 0.01 0.00 -1.68 0.00 0.00 37.83 31.32 3h0c s LYS 441 CO 0.68 -2.16 -0.17 0.08 -0.76 0.00 0.00 175.35 173.01 3h0c s VAL 442 N 5.06 2.31 -0.14 3.17 1.01 -1.26 -1.97 120.40 128.58 3h0c s VAL 442 Ca 0.41 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 3h0c s VAL 442 Cb -0.03 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 3h0c s VAL 442 CO -0.02 0.52 -0.05 -0.89 0.00 0.00 0.00 175.10 174.66 3h0c s THR 443 N 1.23 3.76 -0.08 3.92 2.01 -0.37 -4.95 115.64 121.16 3h0c s THR 443 Ca 0.03 -0.41 -0.25 0.00 0.31 0.00 0.00 61.69 61.37 3h0c s THR 443 Cb -0.14 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 3h0c s THR 443 CO -0.09 0.51 0.77 0.00 -0.69 0.00 0.00 174.62 175.12 3h0c n LEU 445 N 4.16 0.77 0.00 0.00 4.77 -0.13 -4.61 117.00 121.96 3h0c n LEU 445 Ca 0.01 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 3h0c n LEU 445 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3h0c n LEU 445 CO 0.48 0.19 -0.09 -1.54 -1.33 0.00 0.00 177.39 175.10 3h0c n SER 446 N -1.58 0.89 0.07 -1.43 3.41 -1.23 -4.83 113.62 108.90 3h0c n SER 446 Ca 0.02 -0.21 -0.11 0.00 -0.26 0.00 0.00 58.87 58.31 3h0c n SER 446 Cb 0.34 0.59 -0.05 0.00 -0.26 0.00 0.00 64.21 64.83 3h0c n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h0c n GLU 448 N -5.27 2.92 0.01 0.00 -0.58 -1.26 -4.18 120.64 112.28 3h0c n GLU 448 Ca -0.06 -2.73 -0.13 0.00 -0.42 0.00 0.00 57.16 53.83 3h0c n GLU 448 Cb 0.19 -1.64 -0.09 0.00 -0.57 0.00 0.00 31.44 29.33 3h0c n GLU 448 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3h0c h LEU 449 N 4.32 -0.03 -5.69 -4.62 3.38 -1.88 -3.40 115.31 107.39 3h0c h LEU 449 Ca 0.00 -0.39 -0.43 0.00 0.09 0.00 0.00 57.88 57.16 3h0c h LEU 449 Cb 1.08 0.01 -0.32 0.00 0.09 0.00 0.00 40.66 41.52 3h0c h LEU 449 CO 0.04 0.37 -0.94 0.59 0.09 0.00 0.00 178.44 178.59 3h0c n ASN 450 N -4.91 -0.44 0.30 -0.43 3.02 -1.26 -5.03 115.26 106.50 3h0c n ASN 450 Ca -0.08 -3.07 0.15 0.00 -0.03 0.00 0.00 54.58 51.54 3h0c n ASN 450 Cb 0.22 0.15 0.78 0.00 -0.61 0.00 0.00 39.78 40.32 3h0c n ASN 450 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3h0c h PRO 451 N 3.46 0.00 0.01 3.52 0.13 -1.78 0.37 132.00 137.70 3h0c h PRO 451 Ca 0.02 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.79 3h0c h PRO 451 Cb 0.97 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.04 3h0c h PRO 451 CO 0.40 0.00 -2.27 -1.91 -0.23 0.00 0.00 178.00 173.99 3h0c n GLU 452 N -2.75 0.68 -0.03 0.86 4.07 -1.26 -4.45 120.64 117.75 3h0c n GLU 452 Ca -0.02 0.11 -0.08 0.00 -0.06 0.00 0.00 57.16 57.11 3h0c n GLU 452 Cb 0.32 -1.58 -0.14 0.00 -0.06 0.00 0.00 31.44 29.97 3h0c n GLU 452 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 3h0c n ARG 453 N -3.01 0.64 -3.90 5.31 0.63 -0.70 -4.61 116.66 111.02 3h0c n ARG 453 Ca -0.34 0.25 -0.30 0.00 -0.92 0.00 0.00 57.85 56.54 3h0c n ARG 453 Cb 1.08 -1.75 -0.16 0.00 0.45 0.00 0.00 32.46 32.09 3h0c n ARG 453 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3h0c n GLN 455 N 4.74 0.33 -3.32 0.00 6.02 -0.27 -4.47 117.38 120.41 3h0c n GLN 455 Ca -0.11 -0.60 -0.10 0.00 -0.01 0.00 0.00 57.00 56.18 3h0c n GLN 455 Cb 0.44 -0.56 -0.06 0.00 1.02 0.00 0.00 30.24 31.08 3h0c n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3h0c s TYR 456 N -0.11 -0.93 0.13 1.08 6.14 -1.20 -1.48 117.35 120.98 3h0c s TYR 456 Ca 0.00 0.26 0.09 0.00 0.64 0.00 0.00 57.07 58.05 3h0c s TYR 456 Cb 0.00 -0.20 -0.04 0.00 0.42 0.00 0.00 41.96 42.14 3h0c s TYR 456 CO 0.00 -0.97 -0.15 0.71 0.64 0.00 0.00 175.55 175.78 3h0c s TYR 457 N 2.52 2.60 0.43 4.97 2.02 -0.09 -1.18 117.35 128.61 3h0c s TYR 457 Ca 0.10 -0.23 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 3h0c s TYR 457 Cb -0.13 -1.35 -0.02 0.00 -0.40 0.00 0.00 41.96 40.06 3h0c s TYR 457 CO -0.30 0.43 0.10 -1.54 -1.57 0.00 0.00 175.55 172.66 3h0c s SER 458 N -2.32 3.09 0.05 2.29 1.04 -0.18 -4.63 113.70 113.04 3h0c s SER 458 Ca 0.20 -1.66 -0.07 0.00 0.48 0.00 0.00 55.95 54.91 3h0c s SER 458 Cb -0.10 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 3h0c s SER 458 CO 0.12 -0.90 0.14 0.54 0.98 0.00 0.00 173.24 174.12 3h0c s VAL 459 N -3.13 0.13 -0.20 5.02 0.11 -1.26 -1.75 120.40 119.32 3h0c s VAL 459 Ca 0.20 -1.09 -0.03 0.00 -2.93 0.00 0.00 61.98 58.13 3h0c s VAL 459 Cb 0.03 -1.02 0.06 0.00 -1.53 0.00 0.00 36.38 33.92 3h0c s VAL 459 CO 0.12 -0.60 0.06 -0.55 -3.33 0.00 0.00 175.10 170.80 3h0c s SER 460 N -2.29 2.88 0.11 3.54 0.15 -0.46 -4.99 113.70 112.64 3h0c s SER 460 Ca -0.03 -0.84 -0.18 0.00 0.70 0.00 0.00 55.95 55.60 3h0c s SER 460 Cb 0.01 -0.52 -0.07 0.00 -1.71 0.00 0.00 66.02 63.73 3h0c s SER 460 CO -0.06 -0.33 0.58 -0.36 1.20 0.00 0.00 173.24 174.27 3h0c s PHE 461 N 1.92 3.73 1.01 3.44 0.08 -1.26 -1.22 117.98 125.68 3h0c s PHE 461 Ca 0.01 1.22 -0.12 0.00 0.12 0.00 0.00 56.93 58.15 3h0c s PHE 461 Cb -0.17 -2.47 0.19 0.00 -0.57 0.00 0.00 43.02 40.01 3h0c s PHE 461 CO -0.11 0.51 1.09 -1.54 -0.10 0.00 0.00 175.22 175.08 3h0c s SER 462 N -1.35 2.52 0.58 1.36 1.04 -0.17 -4.91 113.70 112.77 3h0c s SER 462 Ca 0.33 1.21 -0.20 0.00 0.48 0.00 0.00 55.95 57.77 3h0c s SER 462 Cb -0.18 -1.88 -0.03 0.00 0.10 0.00 0.00 66.02 64.03 3h0c s SER 462 CO 0.19 -3.20 1.30 -0.54 0.98 0.00 0.00 173.24 171.97 3h0c s LYS 463 N -4.94 2.94 -0.30 4.02 -0.14 -1.21 -1.60 119.74 118.51 3h0c s LYS 463 Ca 0.65 2.08 0.00 0.00 -1.36 0.00 0.00 55.97 57.35 3h0c s LYS 463 Cb -0.19 -2.06 0.00 0.00 -1.68 0.00 0.00 37.83 33.90 3h0c s LYS 463 CO 0.58 -1.30 0.00 0.39 -0.76 0.00 0.00 175.35 174.26 3h0c n GLU 464 N -1.40 -1.90 -3.64 1.68 1.02 -1.26 -3.71 120.64 111.44 3h0c n GLU 464 Ca 0.13 0.51 -0.27 0.00 -0.02 0.00 0.00 57.16 57.50 3h0c n GLU 464 Cb 0.47 -4.68 0.02 0.00 -0.02 0.00 0.00 31.44 27.23 3h0c n GLU 464 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h0c n ALA 465 N 0.84 -1.17 0.06 0.62 0.00 -0.63 -4.90 120.51 115.34 3h0c n ALA 465 Ca -0.03 0.18 -0.19 0.00 0.00 0.00 0.00 53.44 53.39 3h0c n ALA 465 Cb 0.44 -3.92 -0.10 0.00 0.00 0.00 0.00 19.45 15.87 3h0c n ALA 465 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3h0c h LYS 466 N -1.66 0.61 -5.62 0.00 1.79 -1.77 -3.42 116.57 106.50 3h0c h LYS 466 Ca -0.53 -0.71 -0.46 0.00 -2.18 0.00 0.00 60.65 56.77 3h0c h LYS 466 Cb 1.35 0.21 -0.17 0.00 -1.58 0.00 0.00 32.23 32.04 3h0c h LYS 466 CO 0.62 1.30 -0.76 0.71 -1.08 0.00 0.00 179.45 180.24 3h0c s TYR 467 N -3.19 1.61 -0.02 -1.35 2.02 -1.26 0.07 117.35 115.23 3h0c s TYR 467 Ca -0.09 -0.54 -0.04 0.00 -0.37 0.00 0.00 57.07 56.04 3h0c s TYR 467 Cb 0.07 -0.81 0.00 0.00 -0.40 0.00 0.00 41.96 40.83 3h0c s TYR 467 CO 0.91 0.25 0.09 1.52 -1.57 0.00 0.00 175.55 176.75 3h0c s TYR 468 N -2.32 -0.03 -0.24 2.71 1.13 -0.90 -0.99 117.35 116.70 3h0c s TYR 468 Ca 0.14 0.09 -0.16 0.00 -1.41 0.00 0.00 57.07 55.73 3h0c s TYR 468 Cb -0.04 -0.01 -0.04 0.00 -1.10 0.00 0.00 41.96 40.78 3h0c s TYR 468 CO 0.05 -0.11 0.41 -1.14 -2.51 0.00 0.00 175.55 172.24 3h0c s GLN 469 N -0.41 4.10 -0.03 -3.49 0.74 -0.35 -0.29 119.66 119.92 3h0c s GLN 469 Ca -0.05 0.16 -0.09 0.00 0.05 0.00 0.00 55.36 55.44 3h0c s GLN 469 Cb -0.03 -3.60 -0.05 0.00 1.10 0.00 0.00 33.01 30.43 3h0c s GLN 469 CO 0.00 -0.18 0.27 -0.51 -0.55 0.00 0.00 175.29 174.32 3h0c s LEU 470 N 1.77 4.40 -0.06 3.68 1.43 -0.42 -1.36 118.68 128.12 3h0c s LEU 470 Ca 0.18 0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 53.91 3h0c s LEU 470 Cb -0.15 -2.46 0.03 0.00 0.03 0.00 0.00 46.19 43.64 3h0c s LEU 470 CO 0.09 0.32 0.04 0.00 0.23 0.00 0.00 176.35 177.03 3h0c s ARG 471 N -1.34 0.24 0.02 1.70 1.70 -0.72 -1.94 118.95 118.61 3h0c s ARG 471 Ca 0.22 0.22 -0.04 0.00 -0.47 0.00 0.00 55.73 55.66 3h0c s ARG 471 Cb -0.14 -0.81 -0.04 0.00 -0.57 0.00 0.00 34.95 33.39 3h0c s ARG 471 CO 0.11 -0.34 0.24 0.00 -1.08 0.00 0.00 175.30 174.23 3h0c n SER 473 N 0.89 1.66 0.00 0.00 3.41 -0.33 -2.11 113.62 117.15 3h0c n SER 473 Ca -0.10 -1.80 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 3h0c n SER 473 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3h0c n SER 473 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h0c n GLY 474 N -0.40 0.33 0.00 5.00 0.00 -1.26 0.04 105.19 108.90 3h0c n GLY 474 Ca 0.00 -1.08 0.11 0.00 0.00 0.00 0.00 46.02 45.05 3h0c n GLY 474 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h0c n PRO 475 N -0.59 0.34 -0.11 1.61 -0.04 -0.62 -1.11 135.00 134.49 3h0c n PRO 475 Ca 0.00 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 3h0c n PRO 475 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 3h0c n PRO 475 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h0c n GLY 476 N 0.69 0.71 3.78 0.55 0.00 -0.67 -4.53 105.19 105.72 3h0c n GLY 476 Ca 0.11 -1.87 -0.37 0.00 0.00 0.00 0.00 46.02 43.89 3h0c n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h0c s LEU 477 N 0.00 4.18 0.26 0.99 1.43 -1.26 -4.46 118.68 119.82 3h0c s LEU 477 Ca 0.00 2.13 -0.30 0.00 -1.03 0.00 0.00 54.13 54.94 3h0c s LEU 477 Cb 0.00 -4.11 -0.14 0.00 0.03 0.00 0.00 46.19 41.97 3h0c s LEU 477 CO 0.00 -0.53 1.15 -2.65 0.23 0.00 0.00 176.35 174.55 3h0c n PRO 478 N 0.04 1.52 -4.69 1.29 -0.02 -1.26 -4.76 135.00 127.12 3h0c n PRO 478 Ca 0.04 0.54 -0.26 0.00 -2.02 0.00 0.00 63.50 61.80 3h0c n PRO 478 Cb 0.48 -2.01 -0.17 0.00 -0.02 0.00 0.00 33.50 31.79 3h0c n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3h0c s LEU 479 N 0.27 1.72 -0.18 2.45 0.20 -0.90 -4.09 118.68 118.15 3h0c s LEU 479 Ca 0.63 -0.35 0.00 0.00 0.69 0.00 0.00 54.13 55.11 3h0c s LEU 479 Cb -0.71 -0.94 0.01 0.00 -0.43 0.00 0.00 46.19 44.12 3h0c s LEU 479 CO 0.56 0.05 -0.18 -0.31 -0.29 0.00 0.00 176.35 176.19 3h0c s TYR 480 N 0.63 2.79 0.13 5.38 1.51 0.62 -1.95 117.35 126.46 3h0c s TYR 480 Ca -0.15 -1.51 0.02 0.00 -1.01 0.00 0.00 57.07 54.42 3h0c s TYR 480 Cb -0.16 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 3h0c s TYR 480 CO 0.04 -0.75 -0.05 0.95 -1.11 0.00 0.00 175.55 174.63 3h0c s THR 481 N 1.26 0.76 -0.07 -0.71 -4.23 -0.82 0.24 115.64 112.07 3h0c s THR 481 Ca 0.04 -1.97 0.03 0.00 -1.18 0.00 0.00 61.69 58.61 3h0c s THR 481 Cb -0.13 -1.83 -0.02 0.00 1.34 0.00 0.00 72.50 71.85 3h0c s THR 481 CO -0.10 -0.74 -0.15 -0.22 -0.54 0.00 0.00 174.62 172.87 3h0c s LEU 482 N -3.10 2.69 0.31 4.79 0.20 -0.51 -1.30 118.68 121.77 3h0c s LEU 482 Ca 0.16 -0.24 0.03 0.00 0.69 0.00 0.00 54.13 54.77 3h0c s LEU 482 Cb 0.05 -1.55 -0.06 0.00 -0.43 0.00 0.00 46.19 44.20 3h0c s LEU 482 CO -0.02 0.31 0.07 -1.00 -0.29 0.00 0.00 176.35 175.42 3h0c s HIS 483 N -0.49 1.83 -0.07 5.38 3.76 0.61 -1.59 115.29 124.72 3h0c s HIS 483 Ca 0.06 -1.04 0.01 0.00 -0.15 0.00 0.00 55.06 53.94 3h0c s HIS 483 Cb -0.12 -1.17 0.02 0.00 1.11 0.00 0.00 32.58 32.43 3h0c s HIS 483 CO 0.02 -0.11 -0.06 0.45 -0.85 0.00 0.00 174.74 174.19 3h0c s SER 484 N -3.44 1.48 0.49 1.40 0.15 -0.90 -2.13 113.70 110.75 3h0c s SER 484 Ca 0.36 -0.19 0.27 0.00 0.70 0.00 0.00 55.95 57.10 3h0c s SER 484 Cb 0.08 -0.60 1.21 0.00 -1.71 0.00 0.00 66.02 65.00 3h0c s SER 484 CO 0.15 -0.08 1.95 0.28 1.20 0.00 0.00 173.24 176.74 3h0c h SER 485 N 7.56 0.00 0.04 5.45 0.02 -0.62 0.44 113.55 126.43 3h0c h SER 485 Ca -0.31 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.66 3h0c h SER 485 Cb 1.15 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.64 3h0c h SER 485 CO 0.42 0.16 -0.42 0.58 -1.14 0.00 0.00 176.83 176.42 3h0c h VAL 486 N 0.00 0.15 0.00 2.27 2.07 -1.92 -3.33 116.25 115.49 3h0c h VAL 486 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3h0c h VAL 486 Cb 0.55 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3h0c h VAL 486 CO 0.02 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.20 3h0c n ASN 487 N -5.45 0.89 -2.45 0.57 5.03 -1.24 -5.00 115.26 107.59 3h0c n ASN 487 Ca -0.06 -0.99 -0.17 0.00 0.87 0.00 0.00 54.58 54.22 3h0c n ASN 487 Cb 0.37 0.01 0.03 0.00 -1.02 0.00 0.00 39.78 39.18 3h0c n ASN 487 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3h0c n ASP 488 N -0.01 -5.14 -4.76 6.41 10.43 0.14 -5.00 116.55 118.62 3h0c n ASP 488 Ca 0.00 -0.25 -0.40 0.00 2.57 0.00 0.00 54.79 56.70 3h0c n ASP 488 Cb 0.02 -3.94 -0.04 0.00 1.84 0.00 0.00 41.12 39.00 3h0c n ASP 488 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 3h0c s LYS 489 N -5.53 4.62 -0.40 -1.24 2.20 -1.19 -4.80 119.74 113.40 3h0c s LYS 489 Ca 0.27 1.82 -0.20 0.00 -0.36 0.00 0.00 55.97 57.50 3h0c s LYS 489 Cb -0.12 -3.19 0.01 0.00 -1.51 0.00 0.00 37.83 33.02 3h0c s LYS 489 CO 0.34 0.18 0.61 0.20 -0.36 0.00 0.00 175.35 176.31 3h0c s GLY 490 N -0.78 1.75 -0.08 5.54 0.00 -1.26 -2.11 107.32 110.39 3h0c s GLY 490 Ca 0.45 -1.07 -0.00 0.00 0.00 0.00 0.00 44.72 44.10 3h0c s GLY 490 CO 0.41 1.46 -0.00 1.41 0.00 0.00 0.00 173.10 176.38 3h0c h LEU 491 N 9.47 0.00 -8.03 0.66 3.38 -1.65 -3.49 115.31 115.64 3h0c h LEU 491 Ca -0.26 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.40 3h0c h LEU 491 Cb 1.11 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.60 3h0c h LEU 491 CO 0.85 0.38 -0.75 -0.13 0.09 0.00 0.00 178.44 178.88 3h0c s ARG 492 N -1.43 0.49 -0.17 1.13 0.52 -1.21 -5.01 118.95 113.28 3h0c s ARG 492 Ca -0.00 -0.45 -0.22 0.00 -0.52 0.00 0.00 55.73 54.53 3h0c s ARG 492 Cb 0.00 -0.38 -0.02 0.00 0.52 0.00 0.00 34.95 35.06 3h0c s ARG 492 CO 0.00 0.09 0.69 0.08 0.02 0.00 0.00 175.30 176.18 3h0c s VAL 493 N -0.69 4.99 -0.17 3.52 1.01 -1.26 -1.42 120.40 126.39 3h0c s VAL 493 Ca -0.03 1.33 -0.06 0.00 0.00 0.00 0.00 61.98 63.22 3h0c s VAL 493 Cb -0.06 -4.00 -0.23 0.00 0.00 0.00 0.00 36.38 32.09 3h0c s VAL 493 CO 0.00 0.12 0.17 0.18 0.00 0.00 0.00 175.10 175.57 3h0c n LEU 494 N 4.87 2.64 -3.65 3.92 4.77 0.14 -4.96 117.00 124.73 3h0c n LEU 494 Ca -0.00 0.14 -0.05 0.00 -0.03 0.00 0.00 56.01 56.07 3h0c n LEU 494 Cb 0.50 -1.04 -0.07 0.00 -2.33 0.00 0.00 43.42 40.48 3h0c n LEU 494 CO 0.45 0.82 0.23 -0.70 -1.33 0.00 0.00 177.39 176.87 3h0c s GLU 495 N -2.53 0.57 0.00 3.23 2.56 -0.96 -5.00 118.70 116.56 3h0c s GLU 495 Ca -0.27 1.24 0.02 0.00 0.00 0.00 0.00 54.97 55.96 3h0c s GLU 495 Cb 0.07 0.43 0.03 0.00 2.00 0.00 0.00 34.13 36.67 3h0c s GLU 495 CO 0.70 -0.18 0.77 -0.40 -0.56 0.00 0.00 175.26 175.59 3h0c n ASP 496 N 4.90 1.59 -3.75 -1.70 5.75 -1.26 -0.28 116.55 121.81 3h0c n ASP 496 Ca -0.16 -1.49 -0.28 0.00 -0.01 0.00 0.00 54.79 52.85 3h0c n ASP 496 Cb 0.53 -0.02 0.03 0.00 -1.03 0.00 0.00 41.12 40.64 3h0c n ASP 496 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3h0c n ASN 497 N -0.10 -4.97 -0.08 -1.12 3.02 -1.26 -4.84 115.26 105.90 3h0c n ASN 497 Ca 0.01 -0.67 -0.11 0.00 -0.03 0.00 0.00 54.58 53.78 3h0c n ASN 497 Cb 0.15 -3.98 -0.04 0.00 -0.61 0.00 0.00 39.78 35.30 3h0c n ASN 497 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 3h0c h SER 498 N -1.95 0.38 -0.85 6.41 0.87 -1.95 -1.63 113.55 114.83 3h0c h SER 498 Ca -0.56 -0.26 0.10 0.00 -1.23 0.00 0.00 61.79 59.85 3h0c h SER 498 Cb 1.36 -0.10 -0.08 0.00 -0.44 0.00 0.00 62.40 63.15 3h0c h SER 498 CO 0.64 0.54 0.49 0.00 -0.53 0.00 0.00 176.83 177.97 3h0c h ALA 499 N 0.85 1.23 -0.49 6.23 0.00 -2.01 -1.90 119.26 123.17 3h0c h ALA 499 Ca 0.07 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3h0c h ALA 499 Cb 0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3h0c h ALA 499 CO 0.00 0.10 -0.13 1.25 0.00 0.00 0.00 179.25 180.48 3h0c h LEU 500 N 0.81 0.93 0.03 0.00 6.46 -1.84 -2.56 115.31 119.14 3h0c h LEU 500 Ca 0.42 -0.31 0.01 0.00 -0.12 0.00 0.00 57.88 57.88 3h0c h LEU 500 Cb 0.40 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 3h0c h LEU 500 CO -0.26 1.06 -0.25 -0.78 -0.62 0.00 0.00 178.44 177.59 3h0c h ASP 501 N 0.83 -0.76 -0.09 1.25 1.82 -0.50 -0.90 116.42 118.07 3h0c h ASP 501 Ca 0.13 0.08 0.03 0.00 -0.39 0.00 0.00 57.03 56.88 3h0c h ASP 501 Cb 0.67 0.29 -0.00 0.00 0.68 0.00 0.00 39.33 40.96 3h0c h ASP 501 CO 0.05 -0.26 0.07 0.07 -1.61 0.00 0.00 179.24 177.57 3h0c h LYS 502 N -0.34 0.00 -0.34 0.28 2.10 -1.49 -1.71 116.57 115.08 3h0c h LYS 502 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 3h0c h LYS 502 Cb 0.35 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.67 3h0c h LYS 502 CO -0.15 0.00 0.04 0.52 -2.00 0.00 0.00 179.45 177.86 3h0c h MET 503 N 0.00 0.57 0.00 0.07 2.86 -0.99 -3.19 114.93 114.24 3h0c h MET 503 Ca 0.04 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3h0c h MET 503 Cb 0.19 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.79 3h0c h MET 503 CO -0.00 0.66 0.00 1.28 1.06 0.00 0.00 176.91 179.91 3h0c n LEU 504 N -4.57 0.61 0.25 1.22 4.77 -0.39 -3.17 117.00 115.71 3h0c n LEU 504 Ca -0.02 0.56 0.10 0.00 -0.03 0.00 0.00 56.01 56.62 3h0c n LEU 504 Cb 0.23 -0.37 0.65 0.00 -2.33 0.00 0.00 43.42 41.60 3h0c n LEU 504 CO 0.38 -0.15 0.96 -0.61 -1.33 0.00 0.00 177.39 176.65 3h0c h GLN 505 N 0.00 0.00 -0.51 3.23 4.15 -1.41 -1.75 115.11 118.82 3h0c h GLN 505 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3h0c h GLN 505 Cb 0.67 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.36 3h0c h GLN 505 CO 0.00 0.13 0.00 0.09 -1.93 0.00 0.00 178.83 177.12 3h0c n ASN 506 N -3.99 2.70 -4.51 -0.69 5.03 -1.19 -4.88 115.26 107.72 3h0c n ASN 506 Ca -0.02 -2.00 -0.30 0.00 0.87 0.00 0.00 54.58 53.12 3h0c n ASN 506 Cb 0.22 -0.34 -0.11 0.00 -1.02 0.00 0.00 39.78 38.53 3h0c n ASN 506 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3h0c s VAL 507 N -1.33 3.05 -1.33 2.41 1.01 -0.66 -3.74 120.40 119.81 3h0c s VAL 507 Ca 0.34 -1.22 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 3h0c s VAL 507 Cb 0.18 -2.35 0.07 0.00 0.00 0.00 0.00 36.38 34.27 3h0c s VAL 507 CO 0.23 0.24 1.84 0.00 0.00 0.00 0.00 175.10 177.41 3h0c n GLN 508 N 1.19 3.13 -2.71 2.72 6.02 0.47 -4.97 117.38 123.24 3h0c n GLN 508 Ca -0.15 -3.16 -0.35 0.00 -0.01 0.00 0.00 57.00 53.33 3h0c n GLN 508 Cb 0.52 -3.43 -0.06 0.00 1.02 0.00 0.00 30.24 28.30 3h0c n GLN 508 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3h0c s MET 509 N 3.87 4.31 0.57 -1.09 -1.94 -1.26 -4.48 119.30 119.26 3h0c s MET 509 Ca 0.52 1.33 -0.11 0.00 -1.71 0.00 0.00 55.69 55.71 3h0c s MET 509 Cb 0.06 -2.50 -0.05 0.00 2.01 0.00 0.00 34.83 34.35 3h0c s MET 509 CO 0.04 0.02 0.97 -1.25 -0.01 0.00 0.00 175.02 174.79 3h0c s PRO 510 N -2.58 3.68 0.28 2.03 0.04 -1.26 -4.35 135.00 132.82 3h0c s PRO 510 Ca 0.57 0.71 0.07 0.00 0.04 0.00 0.00 61.00 62.38 3h0c s PRO 510 Cb -0.17 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 3h0c s PRO 510 CO 0.22 -0.43 0.25 -1.54 0.04 0.00 0.00 177.00 175.54 3h0c s SER 511 N -3.87 5.56 -0.07 6.66 1.04 -0.76 -4.91 113.70 117.35 3h0c s SER 511 Ca 0.55 -0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.71 3h0c s SER 511 Cb -0.11 -1.33 -0.03 0.00 0.10 0.00 0.00 66.02 64.66 3h0c s SER 511 CO 0.47 -0.14 -0.08 -0.75 0.98 0.00 0.00 173.24 173.72 3h0c s LYS 512 N -3.91 2.74 -0.16 4.02 2.20 -1.26 -0.32 119.74 123.04 3h0c s LYS 512 Ca 0.36 -0.57 0.01 0.00 -0.36 0.00 0.00 55.97 55.40 3h0c s LYS 512 Cb -0.08 -2.57 0.03 0.00 -1.51 0.00 0.00 37.83 33.70 3h0c s LYS 512 CO 0.26 0.65 -0.14 0.21 -0.36 0.00 0.00 175.35 175.96 3h0c s LYS 513 N -0.77 2.37 -0.19 4.03 2.20 -0.64 -4.99 119.74 121.75 3h0c s LYS 513 Ca 0.12 -0.65 -0.05 0.00 -0.36 0.00 0.00 55.97 55.02 3h0c s LYS 513 Cb -0.11 -2.24 -0.03 0.00 -1.51 0.00 0.00 37.83 33.94 3h0c s LYS 513 CO 0.01 -0.27 0.01 -1.17 -0.36 0.00 0.00 175.35 173.58 3h0c s LEU 514 N 1.44 3.40 0.00 5.43 0.20 -1.26 -1.62 118.68 126.26 3h0c s LEU 514 Ca 0.04 -0.12 -0.09 0.00 0.69 0.00 0.00 54.13 54.66 3h0c s LEU 514 Cb -0.13 -1.85 0.03 0.00 -0.43 0.00 0.00 46.19 43.81 3h0c s LEU 514 CO -0.11 0.11 0.47 -0.67 -0.29 0.00 0.00 176.35 175.86 3h0c n ASP 515 N 3.92 -1.35 -4.21 3.68 -0.08 -0.88 -5.04 116.55 112.58 3h0c n ASP 515 Ca -0.17 -1.96 -0.12 0.00 -1.51 0.00 0.00 54.79 51.03 3h0c n ASP 515 Cb 0.52 2.26 -0.10 0.00 2.34 0.00 0.00 41.12 46.14 3h0c n ASP 515 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 3h0c s PHE 516 N -4.87 1.09 0.25 -0.67 -0.12 -1.26 -0.01 117.98 112.40 3h0c s PHE 516 Ca 0.10 -0.92 0.08 0.00 -0.05 0.00 0.00 56.93 56.13 3h0c s PHE 516 Cb -0.03 -0.61 -0.05 0.00 -0.63 0.00 0.00 43.02 41.70 3h0c s PHE 516 CO 0.07 -0.12 -0.11 0.96 -0.05 0.00 0.00 175.22 175.97 3h0c s ILE 517 N -3.57 1.79 -0.15 -4.49 -4.36 0.47 -4.93 121.20 105.96 3h0c s ILE 517 Ca 0.17 -2.19 -0.13 0.00 -0.26 0.00 0.00 60.65 58.24 3h0c s ILE 517 Cb 0.05 -2.27 -0.05 0.00 1.25 0.00 0.00 42.46 41.45 3h0c s ILE 517 CO -0.00 -0.43 0.26 -0.63 0.24 0.00 0.00 174.94 174.38 3h0c s ILE 518 N -2.93 5.32 -0.06 8.37 1.01 -1.26 -1.46 121.20 130.19 3h0c s ILE 518 Ca 0.27 0.49 -0.01 0.00 0.00 0.00 0.00 60.65 61.39 3h0c s ILE 518 Cb 0.01 -3.59 0.03 0.00 0.01 0.00 0.00 42.46 38.92 3h0c s ILE 518 CO 0.10 0.44 0.02 -0.76 0.00 0.00 0.00 174.94 174.74 3h0c s LEU 519 N 0.14 0.49 -1.29 2.97 1.43 -0.07 -4.87 118.68 117.49 3h0c s LEU 519 Ca 0.16 -0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 53.08 3h0c s LEU 519 Cb -0.13 -0.35 0.01 0.00 0.03 0.00 0.00 46.19 45.74 3h0c s LEU 519 CO 0.04 -0.20 0.57 0.59 0.23 0.00 0.00 176.35 177.57 3h0c n ASN 520 N 5.14 -2.73 0.00 2.29 3.02 -1.26 -1.09 115.26 120.63 3h0c n ASN 520 Ca -0.07 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 3h0c n ASN 520 Cb 0.50 -2.77 0.00 0.00 -0.61 0.00 0.00 39.78 36.90 3h0c n ASN 520 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3h0c n GLU 521 N -4.47 -0.57 -4.25 3.52 1.02 -1.26 -4.96 120.64 109.67 3h0c n GLU 521 Ca -0.20 0.14 -0.32 0.00 -0.02 0.00 0.00 57.16 56.77 3h0c n GLU 521 Cb 0.63 -4.41 -0.09 0.00 -0.02 0.00 0.00 31.44 27.56 3h0c n GLU 521 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3h0c s THR 522 N -1.30 4.12 -0.21 2.62 2.01 -0.25 -5.10 115.64 117.53 3h0c s THR 522 Ca 0.00 -0.69 -0.24 0.00 0.31 0.00 0.00 61.69 61.07 3h0c s THR 522 Cb 0.00 -2.86 -0.01 0.00 0.01 0.00 0.00 72.50 69.63 3h0c s THR 522 CO 0.00 0.32 0.77 -0.54 -0.69 0.00 0.00 174.62 174.48 3h0c s LYS 523 N -1.73 4.22 -0.06 4.92 1.02 -1.26 -0.89 119.74 125.96 3h0c s LYS 523 Ca 0.21 0.87 0.05 0.00 0.02 0.00 0.00 55.97 57.12 3h0c s LYS 523 Cb -0.12 -3.61 -0.01 0.00 -0.52 0.00 0.00 37.83 33.58 3h0c s LYS 523 CO 0.12 -0.39 -0.23 -0.06 -0.92 0.00 0.00 175.35 173.87 3h0c s PHE 524 N 2.38 2.30 0.07 3.18 0.08 -0.53 -4.97 117.98 120.49 3h0c s PHE 524 Ca 0.34 -0.75 -0.09 0.00 0.12 0.00 0.00 56.93 56.55 3h0c s PHE 524 Cb -0.16 -1.53 -0.06 0.00 -0.57 0.00 0.00 43.02 40.71 3h0c s PHE 524 CO 0.10 -0.26 0.37 -1.58 -0.10 0.00 0.00 175.22 173.75 3h0c s TRP 525 N 0.01 3.57 0.11 0.36 0.52 -1.26 -0.40 118.94 121.87 3h0c s TRP 525 Ca -0.07 0.73 0.01 0.00 0.02 0.00 0.00 56.10 56.79 3h0c s TRP 525 Cb -0.14 -2.11 -0.04 0.00 -1.15 0.00 0.00 33.47 30.02 3h0c s TRP 525 CO 0.05 0.53 -0.04 1.52 0.02 0.00 0.00 176.95 179.02 3h0c s TYR 526 N -1.40 0.92 0.23 -1.98 1.13 0.99 -1.43 117.35 115.82 3h0c s TYR 526 Ca 0.32 -0.96 0.10 0.00 -1.41 0.00 0.00 57.07 55.12 3h0c s TYR 526 Cb -0.14 -0.54 -0.05 0.00 -1.10 0.00 0.00 41.96 40.14 3h0c s TYR 526 CO 0.18 -0.20 -0.18 1.14 -2.51 0.00 0.00 175.55 173.99 3h0c s GLN 527 N -3.87 1.49 -0.03 -3.49 -2.07 0.06 -2.08 119.66 109.67 3h0c s GLN 527 Ca 0.14 -1.65 0.02 0.00 -1.82 0.00 0.00 55.36 52.05 3h0c s GLN 527 Cb 0.06 -1.47 0.01 0.00 -1.09 0.00 0.00 33.01 30.52 3h0c s GLN 527 CO -0.03 0.27 -0.06 -1.64 -1.32 0.00 0.00 175.29 172.51 3h0c s MET 528 N -3.46 0.81 -0.33 9.60 -1.94 -0.64 -0.83 119.30 122.52 3h0c s MET 528 Ca 0.25 -0.19 -0.17 0.00 -1.71 0.00 0.00 55.69 53.88 3h0c s MET 528 Cb -0.03 -0.78 -0.01 0.00 2.01 0.00 0.00 34.83 36.01 3h0c s MET 528 CO 0.11 0.02 0.46 0.42 -0.01 0.00 0.00 175.02 176.01 3h0c s ILE 529 N 0.49 5.08 -0.16 2.53 -1.09 0.10 -1.62 121.20 126.53 3h0c s ILE 529 Ca -0.07 0.37 -0.05 0.00 -2.23 0.00 0.00 60.65 58.68 3h0c s ILE 529 Cb -0.11 -3.88 -0.03 0.00 -1.58 0.00 0.00 42.46 36.86 3h0c s ILE 529 CO 0.00 -0.10 -0.01 -0.76 -1.23 0.00 0.00 174.94 172.84 3h0c s LEU 530 N 2.26 3.43 0.54 2.97 1.43 0.56 -2.08 118.68 127.79 3h0c s LEU 530 Ca 0.17 -0.05 -0.20 0.00 -1.03 0.00 0.00 54.13 53.02 3h0c s LEU 530 Cb -0.16 -1.83 -0.08 0.00 0.03 0.00 0.00 46.19 44.15 3h0c s LEU 530 CO 0.12 0.19 0.76 -2.65 0.23 0.00 0.00 176.35 175.00 3h0c n PRO 531 N 3.43 0.79 -1.78 1.29 -0.02 -1.26 -1.82 135.00 135.62 3h0c n PRO 531 Ca -0.17 0.30 -0.34 0.00 -2.02 0.00 0.00 63.50 61.26 3h0c n PRO 531 Cb 0.52 -1.90 0.05 0.00 -0.02 0.00 0.00 33.50 32.15 3h0c n PRO 531 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3h0c s PRO 532 N -2.27 2.70 -1.40 0.52 0.04 -1.26 -2.72 135.00 130.62 3h0c s PRO 532 Ca 0.70 1.64 -0.07 0.00 0.04 0.00 0.00 61.00 63.31 3h0c s PRO 532 Cb -0.47 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.20 3h0c s PRO 532 CO 0.52 -1.37 0.51 0.72 0.04 0.00 0.00 177.00 177.43 3h0c n HIS 533 N -2.17 -1.85 -1.69 0.56 8.25 -1.26 -4.88 115.22 112.18 3h0c n HIS 533 Ca 0.12 0.46 -0.54 0.00 -0.26 0.00 0.00 57.72 57.50 3h0c n HIS 533 Cb 0.51 -3.65 -0.06 0.00 1.12 0.00 0.00 29.99 27.90 3h0c n HIS 533 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3h0c n PHE 534 N -4.17 2.11 -3.97 4.41 7.35 -1.10 -4.98 117.46 117.11 3h0c n PHE 534 Ca -0.07 0.38 -0.34 0.00 -0.76 0.00 0.00 57.45 56.66 3h0c n PHE 534 Cb 0.58 -2.51 -0.14 0.00 0.35 0.00 0.00 39.48 37.76 3h0c n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3h0c s ASP 535 N 3.44 4.45 0.00 -2.13 2.15 -1.26 -4.99 116.67 118.33 3h0c s ASP 535 Ca 0.95 -1.05 0.07 0.00 0.43 0.00 0.00 52.55 52.96 3h0c s ASP 535 Cb -0.95 -1.65 0.35 0.00 -0.30 0.00 0.00 42.92 40.37 3h0c s ASP 535 CO 0.60 -0.17 1.18 2.29 -0.17 0.00 0.00 175.17 178.90 3h0c n LYS 536 N 4.62 0.05 -0.25 4.34 2.85 -1.26 -1.14 118.16 127.36 3h0c n LYS 536 Ca -0.15 0.30 0.12 0.00 -1.05 0.00 0.00 58.31 57.53 3h0c n LYS 536 Cb 0.45 -1.50 0.26 0.00 -0.65 0.00 0.00 35.03 33.59 3h0c n LYS 536 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3h0c n SER 537 N -1.40 3.61 -4.64 -5.58 3.41 -1.26 -4.13 113.62 103.63 3h0c n SER 537 Ca 0.03 -1.99 -0.23 0.00 -0.26 0.00 0.00 58.87 56.41 3h0c n SER 537 Cb 0.07 -0.33 -0.08 0.00 -0.26 0.00 0.00 64.21 63.62 3h0c n SER 537 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3h0c s LYS 538 N -1.33 2.21 -0.20 4.33 -0.14 -0.30 -5.05 119.74 119.27 3h0c s LYS 538 Ca 0.42 -1.53 -0.04 0.00 -1.36 0.00 0.00 55.97 53.47 3h0c s LYS 538 Cb 0.24 -2.09 -0.02 0.00 -1.68 0.00 0.00 37.83 34.28 3h0c s LYS 538 CO 0.32 0.28 -0.03 0.15 -0.76 0.00 0.00 175.35 175.31 3h0c s LYS 539 N -3.69 3.51 -0.03 1.68 1.02 -1.26 -4.31 119.74 116.65 3h0c s LYS 539 Ca 0.33 -0.58 0.04 0.00 0.02 0.00 0.00 55.97 55.78 3h0c s LYS 539 Cb -0.04 -2.99 -0.03 0.00 -0.52 0.00 0.00 37.83 34.25 3h0c s LYS 539 CO 0.20 -0.02 -0.12 0.71 -0.92 0.00 0.00 175.35 175.19 3h0c s TYR 540 N 1.05 2.74 0.78 3.18 1.51 0.50 -4.67 117.35 122.45 3h0c s TYR 540 Ca 0.01 -0.13 -0.11 0.00 -1.01 0.00 0.00 57.07 55.83 3h0c s TYR 540 Cb -0.15 -1.61 0.07 0.00 -0.11 0.00 0.00 41.96 40.16 3h0c s TYR 540 CO 0.01 0.25 1.11 -1.25 -1.11 0.00 0.00 175.55 174.56 3h0c s PRO 541 N -0.97 2.08 -0.05 -1.71 0.04 -1.26 -0.91 135.00 132.21 3h0c s PRO 541 Ca 0.13 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.48 3h0c s PRO 541 Cb -0.11 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.59 3h0c s PRO 541 CO 0.03 -1.80 -0.03 -1.17 0.04 0.00 0.00 177.00 174.07 3h0c s LEU 542 N -5.88 1.13 -0.23 -3.56 0.20 -0.58 -1.77 118.68 107.98 3h0c s LEU 542 Ca 0.64 -0.11 -0.09 0.00 0.69 0.00 0.00 54.13 55.25 3h0c s LEU 542 Cb -0.19 -0.44 -0.04 0.00 -0.43 0.00 0.00 46.19 45.08 3h0c s LEU 542 CO 0.54 -0.10 0.12 -0.22 -0.29 0.00 0.00 176.35 176.40 3h0c s LEU 543 N 1.22 3.87 -0.41 -0.68 0.20 0.12 -0.57 118.68 122.42 3h0c s LEU 543 Ca -0.06 0.02 -0.23 0.00 0.69 0.00 0.00 54.13 54.54 3h0c s LEU 543 Cb -0.14 -2.03 0.02 0.00 -0.43 0.00 0.00 46.19 43.61 3h0c s LEU 543 CO -0.02 0.06 0.79 -0.22 -0.29 0.00 0.00 176.35 176.67 3h0c s LEU 544 N 1.09 4.18 -0.36 -0.68 0.20 0.61 -0.63 118.68 123.09 3h0c s LEU 544 Ca 0.06 0.12 -0.23 0.00 0.69 0.00 0.00 54.13 54.77 3h0c s LEU 544 Cb -0.14 -3.00 0.01 0.00 -0.43 0.00 0.00 46.19 42.63 3h0c s LEU 544 CO 0.04 -0.84 0.77 -0.62 -0.29 0.00 0.00 176.35 175.42 3h0c s ASP 545 N 2.01 6.56 0.02 3.68 -1.08 0.97 -0.96 116.67 127.87 3h0c s ASP 545 Ca 0.31 0.38 0.08 0.00 -0.52 0.00 0.00 52.55 52.80 3h0c s ASP 545 Cb -0.12 -2.39 -0.03 0.00 -1.46 0.00 0.00 42.92 38.91 3h0c s ASP 545 CO 0.20 -0.71 -0.23 -0.69 0.52 0.00 0.00 175.17 174.26 3h0c s VAL 546 N 3.06 2.38 0.14 1.11 1.01 -0.53 -4.30 120.40 123.28 3h0c s VAL 546 Ca 0.31 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3h0c s VAL 546 Cb -0.13 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.32 3h0c s VAL 546 CO 0.16 0.42 0.00 0.00 0.00 0.00 0.00 175.10 175.69 3h0c n TYR 547 N 1.90 -1.10 -2.85 5.22 9.36 -1.26 -4.19 117.16 124.24 3h0c n TYR 547 Ca -0.17 0.19 -0.21 0.00 3.32 0.00 0.00 57.90 61.04 3h0c n TYR 547 Cb 0.52 0.38 0.01 0.00 -0.63 0.00 0.00 39.34 39.62 3h0c n TYR 547 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3h0c n ALA 548 N -3.11 -0.88 -1.93 2.98 0.00 -1.26 -3.16 120.51 113.16 3h0c n ALA 548 Ca 0.00 0.21 -0.29 0.00 0.00 0.00 0.00 53.44 53.36 3h0c n ALA 548 Cb 0.00 -3.03 0.05 0.00 0.00 0.00 0.00 19.45 16.48 3h0c n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3h0c s GLY 549 N -2.46 1.62 0.26 0.00 0.00 -1.26 -4.92 107.32 100.56 3h0c s GLY 549 Ca 0.21 -0.52 -0.31 0.00 0.00 0.00 0.00 44.72 44.09 3h0c s GLY 549 CO 0.25 -0.14 1.56 -1.05 0.00 0.00 0.00 173.10 173.72 3h0c n PRO 550 N -2.99 2.49 -1.19 2.90 -0.02 -1.26 -1.29 135.00 133.65 3h0c n PRO 550 Ca 0.07 0.89 -0.07 0.00 -2.02 0.00 0.00 63.50 62.37 3h0c n PRO 550 Cb 0.58 -2.65 -0.03 0.00 -0.02 0.00 0.00 33.50 31.39 3h0c n PRO 550 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h0c s SER 552 N -2.46 5.12 -0.25 0.00 1.04 -0.41 -4.16 113.70 112.58 3h0c s SER 552 Ca 0.00 1.17 -0.03 0.00 0.48 0.00 0.00 55.95 57.57 3h0c s SER 552 Cb 0.00 -1.94 0.14 0.00 0.10 0.00 0.00 66.02 64.32 3h0c s SER 552 CO 0.00 -1.56 0.44 -1.58 0.98 0.00 0.00 173.24 171.52 3h0c s GLN 553 N -5.30 0.40 0.00 4.02 0.74 -1.26 -0.30 119.66 117.95 3h0c s GLN 553 Ca 0.59 0.73 0.08 0.00 0.05 0.00 0.00 55.36 56.80 3h0c s GLN 553 Cb -0.12 -0.12 0.08 0.00 1.10 0.00 0.00 33.01 33.95 3h0c s GLN 553 CO 0.52 -0.57 0.80 1.63 -0.55 0.00 0.00 175.29 177.12 3h0c n LYS 554 N 5.38 0.43 -3.96 1.67 4.76 -1.26 -4.87 118.16 120.32 3h0c n LYS 554 Ca -0.04 -1.07 -0.31 0.00 -2.87 0.00 0.00 58.31 54.02 3h0c n LYS 554 Cb 0.50 -1.15 -0.15 0.00 -1.84 0.00 0.00 35.03 32.39 3h0c n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h0c s ALA 555 N -0.68 2.61 0.00 7.82 0.00 -1.26 -4.73 121.76 125.52 3h0c s ALA 555 Ca 0.10 -2.36 0.00 0.00 0.00 0.00 0.00 51.96 49.70 3h0c s ALA 555 Cb 0.07 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.29 3h0c s ALA 555 CO 0.10 -1.69 0.00 -0.40 0.00 0.00 0.00 175.76 173.77 3h0c n ASP 556 N 4.36 0.00 -0.70 0.00 5.68 -1.26 -4.32 116.55 120.31 3h0c n ASP 556 Ca 0.03 -0.50 0.07 0.00 -0.50 0.00 0.00 54.79 53.89 3h0c n ASP 556 Cb 0.42 0.00 0.13 0.00 -1.14 0.00 0.00 41.12 40.53 3h0c n ASP 556 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3h0c n THR 557 N 0.00 0.55 -2.04 2.12 -2.24 -0.89 -4.92 114.28 106.86 3h0c n THR 557 Ca 0.00 -0.77 -0.41 0.00 -2.27 0.00 0.00 64.05 60.60 3h0c n THR 557 Cb 0.00 0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 69.07 3h0c n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3h0c s VAL 558 N -1.08 2.62 -0.27 2.28 1.01 -1.26 -1.58 120.40 122.12 3h0c s VAL 558 Ca 0.24 0.58 -0.26 0.00 0.00 0.00 0.00 61.98 62.54 3h0c s VAL 558 Cb 0.14 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3h0c s VAL 558 CO 0.19 0.12 0.89 0.12 0.00 0.00 0.00 175.10 176.42 3h0c s PHE 559 N -0.74 3.27 0.01 5.22 5.36 0.11 -4.88 117.98 126.34 3h0c s PHE 559 Ca 0.53 1.13 0.09 0.00 -0.96 0.00 0.00 56.93 57.72 3h0c s PHE 559 Cb -0.41 -3.22 -0.02 0.00 -0.34 0.00 0.00 43.02 39.03 3h0c s PHE 559 CO 0.51 -0.50 -0.26 1.03 -1.46 0.00 0.00 175.22 174.54 3h0c s ARG 560 N 3.05 1.92 -0.45 10.12 0.52 -1.26 -4.89 118.95 127.95 3h0c s ARG 560 Ca 0.37 -1.01 -0.01 0.00 -0.52 0.00 0.00 55.73 54.56 3h0c s ARG 560 Cb -0.15 -1.98 0.12 0.00 0.52 0.00 0.00 34.95 33.47 3h0c s ARG 560 CO 0.09 0.53 0.23 -0.51 0.02 0.00 0.00 175.30 175.66 3h0c s LEU 561 N -0.93 5.06 0.00 2.53 1.43 -1.26 -4.86 118.68 120.65 3h0c s LEU 561 Ca 0.11 -2.32 0.00 0.00 -1.03 0.00 0.00 54.13 50.89 3h0c s LEU 561 Cb -0.10 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.35 3h0c s LEU 561 CO 0.01 -0.45 0.00 -0.46 0.23 0.00 0.00 176.35 175.68 3h0c n ASN 562 N 4.16 0.42 -0.29 2.29 0.23 -1.26 -4.99 115.26 115.82 3h0c n ASN 562 Ca 0.02 -0.61 -0.04 0.00 -0.53 0.00 0.00 54.58 53.42 3h0c n ASN 562 Cb 0.40 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 38.17 3h0c n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 3h0c h TRP 563 N 0.61 1.01 -0.34 -2.53 7.01 -1.97 -1.69 115.95 118.04 3h0c h TRP 563 Ca 0.00 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.02 3h0c h TRP 563 Cb 0.00 -0.34 -0.02 0.00 -2.10 0.00 0.00 29.16 26.71 3h0c h TRP 563 CO 0.00 0.66 0.23 0.00 -2.79 0.00 0.00 178.44 176.54 3h0c h ALA 564 N 1.27 1.79 -0.53 2.65 0.00 -1.98 -0.99 119.26 121.46 3h0c h ALA 564 Ca 0.28 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.21 3h0c h ALA 564 Cb -0.08 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3h0c h ALA 564 CO -0.06 0.19 0.29 1.15 0.00 0.00 0.00 179.25 180.82 3h0c h THR 565 N 0.44 0.99 -0.23 0.00 2.02 -1.64 -2.57 112.91 111.91 3h0c h THR 565 Ca 0.13 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 67.03 3h0c h THR 565 Cb -0.01 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3h0c h THR 565 CO -0.03 0.10 -0.22 0.22 0.37 0.00 0.00 175.52 175.97 3h0c h TYR 566 N 0.56 0.66 -0.91 3.16 3.20 -1.01 -2.26 116.97 120.36 3h0c h TYR 566 Ca 0.23 -0.20 0.05 0.00 3.14 0.00 0.00 58.73 61.95 3h0c h TYR 566 Cb 0.10 -0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.18 3h0c h TYR 566 CO -0.09 0.88 0.60 -0.07 -1.64 0.00 0.00 178.16 177.84 3h0c h LEU 567 N 0.24 0.96 0.02 2.82 3.38 -1.21 -1.19 115.31 120.33 3h0c h LEU 567 Ca 0.04 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 3h0c h LEU 567 Cb 0.77 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.32 3h0c h LEU 567 CO 0.05 0.64 -0.67 0.00 0.09 0.00 0.00 178.44 178.56 3h0c h ALA 568 N 1.48 0.05 0.04 1.53 0.00 -1.46 -0.67 119.26 120.24 3h0c h ALA 568 Ca 0.38 -0.60 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 3h0c h ALA 568 Cb 0.09 0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.94 3h0c h ALA 568 CO -0.13 0.38 -0.62 1.03 0.00 0.00 0.00 179.25 179.91 3h0c h SER 569 N -0.11 0.48 0.02 0.00 0.87 -1.19 -3.04 113.55 110.58 3h0c h SER 569 Ca -0.09 -0.82 -0.34 0.00 -1.23 0.00 0.00 61.79 59.32 3h0c h SER 569 Cb 1.39 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 63.15 3h0c h SER 569 CO 0.13 1.25 -1.86 0.41 -0.53 0.00 0.00 176.83 176.22 3h0c n THR 570 N -4.22 1.56 1.17 2.23 -1.04 -0.47 -4.55 114.28 108.97 3h0c n THR 570 Ca -0.11 -0.26 0.12 0.00 -2.04 0.00 0.00 64.05 61.76 3h0c n THR 570 Cb 0.70 -1.91 0.29 0.00 -1.82 0.00 0.00 70.33 67.59 3h0c n THR 570 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3h0c n GLU 571 N -4.17 0.77 -3.55 -2.82 -0.58 -1.14 -4.98 120.64 104.17 3h0c n GLU 571 Ca -0.41 -0.49 -0.20 0.00 -0.42 0.00 0.00 57.16 55.64 3h0c n GLU 571 Cb 0.82 -1.49 0.07 0.00 -0.57 0.00 0.00 31.44 30.27 3h0c n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3h0c n ASN 572 N -0.69 -3.21 -4.46 1.62 3.02 -0.69 -4.95 115.26 105.91 3h0c n ASN 572 Ca 0.11 -0.64 -0.33 0.00 -0.03 0.00 0.00 54.58 53.68 3h0c n ASN 572 Cb 0.36 -4.86 -0.13 0.00 -0.61 0.00 0.00 39.78 34.55 3h0c n ASN 572 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3h0c s ILE 573 N -3.39 3.55 -0.13 2.41 1.01 -0.34 -4.54 121.20 119.76 3h0c s ILE 573 Ca 0.20 -0.49 -0.29 0.00 0.00 0.00 0.00 60.65 60.06 3h0c s ILE 573 Cb -0.09 -2.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 3h0c s ILE 573 CO 0.75 0.52 1.28 -0.63 0.00 0.00 0.00 174.94 176.86 3h0c s ILE 574 N 0.21 4.21 -0.43 2.92 1.01 -0.73 -3.33 121.20 125.06 3h0c s ILE 574 Ca -0.05 1.48 -0.14 0.00 0.00 0.00 0.00 60.65 61.95 3h0c s ILE 574 Cb -0.14 -3.96 0.05 0.00 0.01 0.00 0.00 42.46 38.42 3h0c s ILE 574 CO 0.04 -0.10 0.31 -0.69 0.00 0.00 0.00 174.94 174.50 3h0c s VAL 575 N 3.24 5.00 0.09 2.92 1.01 -0.88 -0.70 120.40 131.08 3h0c s VAL 575 Ca 0.56 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 3h0c s VAL 575 Cb -0.23 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 3h0c s VAL 575 CO 0.17 -0.41 0.28 0.00 0.00 0.00 0.00 175.10 175.15 3h0c s ALA 576 N 1.61 3.91 -0.00 5.51 0.00 0.20 0.01 121.76 133.00 3h0c s ALA 576 Ca 0.04 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.30 3h0c s ALA 576 Cb -0.21 -1.97 -0.00 0.00 0.00 0.00 0.00 23.12 20.94 3h0c s ALA 576 CO 0.07 0.75 -0.02 -1.12 0.00 0.00 0.00 175.76 175.44 3h0c s SER 577 N -2.44 0.25 0.01 0.00 0.01 -0.01 -0.02 113.70 111.51 3h0c s SER 577 Ca 0.37 -0.06 0.03 0.00 1.31 0.00 0.00 55.95 57.61 3h0c s SER 577 Cb -0.13 -0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.07 3h0c s SER 577 CO 0.26 0.02 -0.11 0.12 0.41 0.00 0.00 173.24 173.94 3h0c s PHE 578 N -0.10 0.93 -0.44 2.43 5.36 -1.26 -0.76 117.98 124.14 3h0c s PHE 578 Ca 0.00 -0.25 -0.02 0.00 -0.96 0.00 0.00 56.93 55.70 3h0c s PHE 578 Cb -0.01 -0.58 0.12 0.00 -0.34 0.00 0.00 43.02 42.21 3h0c s PHE 578 CO -0.00 -0.01 0.24 -0.51 -1.46 0.00 0.00 175.22 173.48 3h0c s ASP 579 N -0.64 5.21 0.00 6.13 1.01 -0.51 -4.75 116.67 123.12 3h0c s ASP 579 Ca 0.02 -2.20 0.00 0.00 0.71 0.00 0.00 52.55 51.08 3h0c s ASP 579 Cb -0.06 -1.82 0.00 0.00 1.01 0.00 0.00 42.92 42.05 3h0c s ASP 579 CO 0.00 -0.50 0.00 0.61 0.21 0.00 0.00 175.17 175.49 3h0c n GLY 580 N 4.36 1.68 3.77 0.21 0.00 -1.26 -3.98 105.19 109.97 3h0c n GLY 580 Ca -0.00 -1.89 -0.37 0.00 0.00 0.00 0.00 46.02 43.76 3h0c n GLY 580 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h0c s ARG 581 N 3.11 3.69 0.00 1.61 0.52 -1.26 -2.35 118.95 124.27 3h0c s ARG 581 Ca 0.00 1.77 0.00 0.00 -0.52 0.00 0.00 55.73 56.98 3h0c s ARG 581 Cb 0.00 -2.35 0.00 0.00 0.52 0.00 0.00 34.95 33.12 3h0c s ARG 581 CO 0.00 -0.61 0.00 0.41 0.02 0.00 0.00 175.30 175.12 3h0c n GLY 582 N 0.42 1.94 3.84 -3.53 0.00 0.87 -4.13 105.19 104.60 3h0c n GLY 582 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 3h0c n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h0c s SER 583 N -3.20 4.65 0.44 1.61 1.04 -0.99 -1.01 113.70 116.24 3h0c s SER 583 Ca 0.00 1.16 0.08 0.00 0.48 0.00 0.00 55.95 57.67 3h0c s SER 583 Cb 0.00 -1.87 0.01 0.00 0.10 0.00 0.00 66.02 64.27 3h0c s SER 583 CO 0.00 -1.85 0.56 -0.83 0.98 0.00 0.00 173.24 172.10 3h0c s GLY 584 N -4.12 1.97 -1.65 7.32 0.00 0.58 -3.58 107.32 107.83 3h0c s GLY 584 Ca 0.60 -1.75 -0.00 0.00 0.00 0.00 0.00 44.72 43.57 3h0c s GLY 584 CO 0.53 -1.55 0.00 -1.72 0.00 0.00 0.00 173.10 170.36 3h0c n TYR 585 N -1.84 -0.92 -1.93 1.90 4.01 -1.26 -4.83 117.16 112.29 3h0c n TYR 585 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 3h0c n TYR 585 Cb 0.60 -3.76 0.00 0.00 -0.31 0.00 0.00 39.34 35.87 3h0c n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3h0c n GLN 586 N -2.86 0.00 0.00 -0.72 6.02 -1.26 -4.61 117.38 113.95 3h0c n GLN 586 Ca -0.23 -0.96 0.00 0.00 -0.01 0.00 0.00 57.00 55.80 3h0c n GLN 586 Cb 0.67 -0.50 0.00 0.00 1.02 0.00 0.00 30.24 31.44 3h0c n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h0c n GLY 587 N 0.00 2.24 0.30 1.08 0.00 -1.26 -4.62 105.19 102.93 3h0c n GLY 587 Ca 0.00 -1.73 0.10 0.00 0.00 0.00 0.00 46.02 44.39 3h0c n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h0c h ASP 588 N 0.00 0.09 -0.62 1.61 3.32 -1.23 -1.68 116.42 117.90 3h0c h ASP 588 Ca 0.00 -0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.13 3h0c h ASP 588 Cb 0.00 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.46 3h0c h ASP 588 CO 0.00 0.06 0.28 0.50 -1.72 0.00 0.00 179.24 178.37 3h0c h LYS 589 N 0.11 0.50 0.01 3.56 3.64 -1.87 0.65 116.57 123.16 3h0c h LYS 589 Ca 0.09 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3h0c h LYS 589 Cb 0.22 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3h0c h LYS 589 CO -0.01 0.33 -0.14 0.82 -2.27 0.00 0.00 179.45 178.17 3h0c h ILE 590 N 0.51 1.62 -0.45 2.00 2.04 -1.70 -3.23 117.51 118.30 3h0c h ILE 590 Ca 0.30 -2.00 -0.11 0.00 1.00 0.00 0.00 64.86 64.05 3h0c h ILE 590 Cb 0.30 2.93 -0.02 0.00 -0.74 0.00 0.00 36.82 39.30 3h0c h ILE 590 CO -0.25 0.53 -0.18 -0.03 0.00 0.00 0.00 178.15 178.23 3h0c h MET 591 N -0.68 0.87 -0.08 2.37 4.05 -1.21 0.25 114.93 120.50 3h0c h MET 591 Ca -0.02 -0.33 0.00 0.00 -0.28 0.00 0.00 59.70 59.07 3h0c h MET 591 Cb 0.95 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.71 3h0c h MET 591 CO 0.03 0.97 0.00 0.72 0.23 0.00 0.00 176.91 178.86 3h0c n HIS 592 N -4.13 0.09 0.19 1.39 8.25 0.23 -3.95 115.22 117.28 3h0c n HIS 592 Ca 0.01 -0.04 0.09 0.00 -0.26 0.00 0.00 57.72 57.51 3h0c n HIS 592 Cb 0.42 0.00 0.61 0.00 1.12 0.00 0.00 29.99 32.14 3h0c n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h0c h ALA 593 N 4.21 2.01 -0.00 -1.41 0.00 -1.56 -2.19 119.26 120.33 3h0c h ALA 593 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h0c h ALA 593 Cb 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3h0c h ALA 593 CO 0.00 -0.04 -0.29 1.51 0.00 0.00 0.00 179.25 180.43 3h0c n ILE 594 N -4.51 0.00 -1.60 0.00 0.13 -1.25 -4.84 119.36 107.28 3h0c n ILE 594 Ca -0.00 -0.05 -0.54 0.00 -1.10 0.00 0.00 62.75 61.05 3h0c n ILE 594 Cb 0.15 0.14 -0.07 0.00 -0.84 0.00 0.00 39.64 39.02 3h0c n ILE 594 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 3h0c n ASN 595 N -1.13 1.50 0.00 9.51 5.15 -0.82 -0.27 115.26 129.19 3h0c n ASN 595 Ca 0.10 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.20 3h0c n ASN 595 Cb 0.33 -1.13 0.00 0.00 -0.53 0.00 0.00 39.78 38.45 3h0c n ASN 595 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3h0c n ARG 596 N 2.87 -0.69 -2.47 1.20 1.74 0.10 -4.79 116.66 114.61 3h0c n ARG 596 Ca 0.20 0.16 -0.15 0.00 -0.77 0.00 0.00 57.85 57.29 3h0c n ARG 596 Cb 0.16 -4.48 0.02 0.00 -1.02 0.00 0.00 32.46 27.14 3h0c n ARG 596 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3h0c n ARG 597 N -0.86 2.58 -1.99 5.56 1.74 0.62 -4.92 116.66 119.39 3h0c n ARG 597 Ca 0.00 -3.89 -0.41 0.00 -0.77 0.00 0.00 57.85 52.78 3h0c n ARG 597 Cb 0.16 -1.89 -0.01 0.00 -1.02 0.00 0.00 32.46 29.70 3h0c n ARG 597 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3h0c s LEU 598 N -3.54 4.39 0.00 0.55 1.43 -1.21 -2.60 118.68 117.70 3h0c s LEU 598 Ca 0.39 2.82 0.00 0.00 -1.03 0.00 0.00 54.13 56.31 3h0c s LEU 598 Cb 0.39 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.96 3h0c s LEU 598 CO -0.04 -0.67 0.00 0.61 0.23 0.00 0.00 176.35 176.49 3h0c n GLY 599 N 0.77 0.70 0.00 -3.19 0.00 -1.26 -4.84 105.19 97.37 3h0c n GLY 599 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3h0c n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h0c n THR 600 N -2.55 0.00 -0.02 2.61 -2.24 -1.07 -4.67 114.28 106.33 3h0c n THR 600 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 3h0c n THR 600 Cb 0.00 -0.67 0.11 0.00 -2.10 0.00 0.00 70.33 67.67 3h0c n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3h0c h PHE 601 N 0.00 0.69 -0.38 4.78 0.04 -1.94 -0.60 116.94 119.54 3h0c h PHE 601 Ca 0.00 -0.18 -0.07 0.00 2.80 0.00 0.00 57.97 60.51 3h0c h PHE 601 Cb 0.00 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 3h0c h PHE 601 CO 0.00 0.86 -0.06 1.05 -0.60 0.00 0.00 178.31 179.56 3h0c h GLU 602 N 0.50 0.64 0.21 1.51 9.09 -1.91 0.50 114.58 125.13 3h0c h GLU 602 Ca 0.05 -0.18 -0.01 0.00 0.05 0.00 0.00 59.36 59.28 3h0c h GLU 602 Cb 0.84 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.87 3h0c h GLU 602 CO 0.07 0.70 -0.10 0.28 0.05 0.00 0.00 179.01 180.01 3h0c h VAL 603 N 0.60 0.82 -0.67 -1.06 2.07 -1.78 -2.95 116.25 113.28 3h0c h VAL 603 Ca 0.11 -0.87 0.12 0.00 0.82 0.00 0.00 66.70 66.89 3h0c h VAL 603 Cb 0.47 1.28 -0.09 0.00 -1.52 0.00 0.00 31.29 31.43 3h0c h VAL 603 CO 0.02 0.17 0.21 -0.33 0.02 0.00 0.00 177.57 177.67 3h0c h GLU 604 N -0.77 0.34 -0.07 1.57 5.08 -0.93 -2.44 114.58 117.37 3h0c h GLU 604 Ca -0.03 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 3h0c h GLU 604 Cb 0.51 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3h0c h GLU 604 CO 0.05 0.22 -0.50 -0.44 -1.00 0.00 0.00 179.01 177.34 3h0c h ASP 605 N 0.35 0.19 -0.69 1.42 5.19 -1.00 -1.83 116.42 120.05 3h0c h ASP 605 Ca 0.36 -0.09 0.07 0.00 -0.62 0.00 0.00 57.03 56.74 3h0c h ASP 605 Cb 0.53 -0.05 -0.06 0.00 0.18 0.00 0.00 39.33 39.93 3h0c h ASP 605 CO -0.40 0.67 0.38 1.56 -3.12 0.00 0.00 179.24 178.33 3h0c h GLN 606 N 0.14 0.66 -0.28 3.56 1.08 -1.26 -1.01 115.11 118.02 3h0c h GLN 606 Ca 0.00 -0.04 -0.16 0.00 -1.45 0.00 0.00 58.65 57.00 3h0c h GLN 606 Cb 0.94 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 28.22 3h0c h GLN 606 CO 0.07 0.44 -0.46 0.82 -0.95 0.00 0.00 178.83 178.76 3h0c h ILE 607 N 0.68 1.29 -0.48 2.54 2.04 -1.23 -2.15 117.51 120.21 3h0c h ILE 607 Ca 0.32 -1.65 -0.05 0.00 1.00 0.00 0.00 64.86 64.48 3h0c h ILE 607 Cb 0.23 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 3h0c h ILE 607 CO -0.20 0.53 0.08 -0.08 0.00 0.00 0.00 178.15 178.47 3h0c h GLU 608 N 0.56 0.75 -0.12 2.37 4.22 -1.19 0.15 114.58 121.32 3h0c h GLU 608 Ca 0.02 -0.16 -0.01 0.00 0.08 0.00 0.00 59.36 59.29 3h0c h GLU 608 Cb 1.06 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 3h0c h GLU 608 CO 0.10 0.71 0.04 0.00 -2.18 0.00 0.00 179.01 177.68 3h0c h ALA 609 N 1.37 0.16 -0.53 2.92 0.00 -1.10 -1.91 119.26 120.16 3h0c h ALA 609 Ca 0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3h0c h ALA 609 Cb 0.33 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3h0c h ALA 609 CO 0.00 -0.23 0.21 0.00 0.00 0.00 0.00 179.25 179.24 3h0c h ALA 610 N 0.86 1.39 -0.27 0.00 0.00 -1.04 -0.87 119.26 119.33 3h0c h ALA 610 Ca 0.04 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3h0c h ALA 610 Cb 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3h0c h ALA 610 CO -0.00 0.46 0.16 -0.09 0.00 0.00 0.00 179.25 179.78 3h0c h ARG 611 N 0.75 0.32 -0.32 0.00 2.43 -0.57 -1.06 114.38 115.93 3h0c h ARG 611 Ca 0.18 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.22 3h0c h ARG 611 Cb 0.14 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3h0c h ARG 611 CO -0.02 0.21 -0.26 1.96 -1.51 0.00 0.00 179.97 180.35 3h0c h GLN 612 N 0.33 0.64 -0.73 0.20 4.20 -0.89 -2.72 115.11 116.14 3h0c h GLN 612 Ca 0.11 -0.26 -0.06 0.00 0.06 0.00 0.00 58.65 58.49 3h0c h GLN 612 Cb -0.01 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 3h0c h GLN 612 CO -0.05 0.84 0.21 0.74 -0.67 0.00 0.00 178.83 179.90 3h0c h PHE 613 N 0.56 1.19 0.00 2.96 0.04 -1.04 -2.89 116.94 117.76 3h0c h PHE 613 Ca 0.07 -0.13 -0.05 0.00 2.80 0.00 0.00 57.97 60.67 3h0c h PHE 613 Cb 0.74 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 3h0c h PHE 613 CO 0.03 0.95 -0.24 0.66 -0.60 0.00 0.00 178.31 179.11 3h0c h SER 614 N 1.09 0.00 1.13 2.17 4.64 -0.99 -2.04 113.55 119.55 3h0c h SER 614 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3h0c h SER 614 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3h0c h SER 614 CO -0.00 0.24 0.00 0.29 -0.87 0.00 0.00 176.83 176.49 3h0c n LYS 615 N -4.11 0.11 -2.27 4.77 5.02 -1.04 -4.64 118.16 115.99 3h0c n LYS 615 Ca -0.02 0.12 -0.37 0.00 -2.02 0.00 0.00 58.31 56.01 3h0c n LYS 615 Cb 0.30 -1.63 -0.01 0.00 -0.02 0.00 0.00 35.03 33.67 3h0c n LYS 615 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3h0c s MET 616 N -3.05 3.80 0.38 1.97 -1.94 -0.77 -4.95 119.30 114.73 3h0c s MET 616 Ca 0.12 1.77 0.28 0.00 -1.71 0.00 0.00 55.69 56.14 3h0c s MET 616 Cb 0.15 -2.43 1.22 0.00 2.01 0.00 0.00 34.83 35.78 3h0c s MET 616 CO 0.53 -0.52 1.83 0.78 -0.01 0.00 0.00 175.02 177.63 3h0c h GLY 617 N 2.11 0.00 -1.71 -0.03 0.00 -1.87 -2.96 103.07 98.60 3h0c h GLY 617 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3h0c h GLY 617 CO 0.60 0.00 0.00 1.97 0.00 0.00 0.00 176.54 179.11 3h0c n PHE 618 N -2.54 0.26 -4.01 5.60 1.16 -1.26 -4.69 117.46 111.99 3h0c n PHE 618 Ca 0.01 -0.17 -0.35 0.00 -1.87 0.00 0.00 57.45 55.07 3h0c n PHE 618 Cb 0.21 -0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 37.96 3h0c n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3h0c s VAL 619 N -1.37 4.13 -0.50 1.97 1.01 -1.12 -0.37 120.40 124.15 3h0c s VAL 619 Ca 0.27 -0.25 -0.28 0.00 0.00 0.00 0.00 61.98 61.72 3h0c s VAL 619 Cb 0.17 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.68 3h0c s VAL 619 CO 0.24 0.41 1.48 -0.62 0.00 0.00 0.00 175.10 176.62 3h0c s ASP 620 N 1.04 6.10 0.28 3.32 3.68 -0.08 -4.78 116.67 126.22 3h0c s ASP 620 Ca 0.03 0.54 0.23 0.00 2.13 0.00 0.00 52.55 55.47 3h0c s ASP 620 Cb -0.14 -2.54 1.03 0.00 -1.45 0.00 0.00 42.92 39.82 3h0c s ASP 620 CO 0.02 -1.68 1.69 -0.46 0.13 0.00 0.00 175.17 174.87 3h0c n ASN 621 N 9.68 0.64 0.15 -0.34 6.94 -1.26 -1.42 115.26 129.64 3h0c n ASN 621 Ca 0.15 0.69 0.13 0.00 -0.02 0.00 0.00 54.58 55.53 3h0c n ASN 621 Cb 0.49 -0.82 0.37 0.00 -2.36 0.00 0.00 39.78 37.47 3h0c n ASN 621 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 3h0c h LYS 622 N 0.00 0.00 -2.71 -3.83 1.57 -1.94 -3.39 116.57 106.27 3h0c h LYS 622 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 3h0c h LYS 622 Cb 0.26 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.17 3h0c h LYS 622 CO 0.00 0.00 -0.76 0.54 -0.57 0.00 0.00 179.45 178.66 3h0c n ARG 623 N -2.52 1.14 -4.81 3.15 1.74 -0.51 -4.84 116.66 110.01 3h0c n ARG 623 Ca 0.04 -3.90 -0.32 0.00 -0.77 0.00 0.00 57.85 52.90 3h0c n ARG 623 Cb 0.42 -1.99 -0.17 0.00 -1.02 0.00 0.00 32.46 29.70 3h0c n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3h0c s ILE 624 N -0.86 1.95 0.41 0.55 1.01 -1.26 -1.52 121.20 121.47 3h0c s ILE 624 Ca 0.29 -0.93 0.07 0.00 0.00 0.00 0.00 60.65 60.08 3h0c s ILE 624 Cb 0.01 -1.72 -0.08 0.00 0.01 0.00 0.00 42.46 40.68 3h0c s ILE 624 CO -0.17 0.53 0.01 0.00 0.00 0.00 0.00 174.94 175.31 3h0c s ALA 625 N 0.69 3.17 -0.01 9.38 0.00 0.26 -0.83 121.76 134.42 3h0c s ALA 625 Ca -0.11 -2.29 0.00 0.00 0.00 0.00 0.00 51.96 49.56 3h0c s ALA 625 Cb -0.16 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.11 3h0c s ALA 625 CO 0.02 -0.11 0.01 -1.50 0.00 0.00 0.00 175.76 174.18 3h0c s ILE 626 N -2.70 -0.01 0.03 0.00 2.07 -0.83 -0.28 121.20 119.48 3h0c s ILE 626 Ca 0.35 0.07 -0.05 0.00 -1.41 0.00 0.00 60.65 59.61 3h0c s ILE 626 Cb 0.09 -0.04 -0.01 0.00 0.13 0.00 0.00 42.46 42.62 3h0c s ILE 626 CO 0.18 0.03 0.07 -1.66 -1.91 0.00 0.00 174.94 171.66 3h0c s TRP 627 N 0.37 0.22 -0.09 3.50 1.48 -0.14 -1.29 118.94 122.99 3h0c s TRP 627 Ca -0.03 -0.53 -0.30 0.00 -1.06 0.00 0.00 56.10 54.18 3h0c s TRP 627 Cb -0.05 -0.16 0.12 0.00 -1.16 0.00 0.00 33.47 32.22 3h0c s TRP 627 CO -0.01 -0.34 0.95 0.20 -4.06 0.00 0.00 176.95 173.69 3h0c s GLY 628 N -2.07 -0.36 -0.01 3.67 0.00 -1.02 -1.45 107.32 106.08 3h0c s GLY 628 Ca -0.06 1.57 0.08 0.00 0.00 0.00 0.00 44.72 46.31 3h0c s GLY 628 CO -0.04 0.73 -0.25 0.86 0.00 0.00 0.00 173.10 174.39 3h0c s TRP 629 N -1.98 2.23 0.00 1.90 -0.11 -1.26 -1.22 118.94 118.50 3h0c s TRP 629 Ca 0.01 -0.42 0.00 0.00 1.22 0.00 0.00 56.10 56.91 3h0c s TRP 629 Cb -0.01 -1.42 0.00 0.00 -1.50 0.00 0.00 33.47 30.54 3h0c s TRP 629 CO -0.03 -0.02 0.00 0.45 -4.62 0.00 0.00 176.95 172.74 3h0c n SER 630 N 2.39 0.00 -0.27 5.86 2.88 -0.52 -1.41 113.62 122.55 3h0c n SER 630 Ca -0.16 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.56 3h0c n SER 630 Cb 0.51 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 64.45 3h0c n SER 630 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3h0c h TYR 631 N 0.00 0.64 0.00 0.66 5.03 -1.86 -1.07 116.97 120.37 3h0c h TYR 631 Ca 0.00 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.29 3h0c h TYR 631 Cb 0.00 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.08 3h0c h TYR 631 CO 0.00 0.16 -0.17 0.78 -1.32 0.00 0.00 178.16 177.61 3h0c h GLY 632 N 0.48 0.00 2.00 1.82 0.00 -1.19 -2.04 103.07 104.14 3h0c h GLY 632 Ca 0.49 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.64 3h0c h GLY 632 CO -0.22 0.00 -0.89 -1.33 0.00 0.00 0.00 176.54 174.10 3h0c h GLY 633 N 0.90 0.00 0.76 4.60 0.00 -1.13 -1.28 103.07 106.91 3h0c h GLY 633 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3h0c h GLY 633 CO 0.02 0.00 -0.03 -1.82 0.00 0.00 0.00 176.54 174.71 3h0c h TYR 634 N 0.00 0.31 -0.27 5.60 3.20 -1.19 -2.52 116.97 122.10 3h0c h TYR 634 Ca -0.01 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.77 3h0c h TYR 634 Cb 1.62 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.80 3h0c h TYR 634 CO 0.00 0.55 0.08 0.28 -1.64 0.00 0.00 178.16 177.43 3h0c h VAL 635 N -0.02 1.20 -0.40 1.81 2.07 -1.38 -1.19 116.25 118.34 3h0c h VAL 635 Ca 0.04 -0.65 0.08 0.00 0.82 0.00 0.00 66.70 66.99 3h0c h VAL 635 Cb 0.44 1.11 -0.08 0.00 -1.52 0.00 0.00 31.29 31.25 3h0c h VAL 635 CO 0.01 0.21 -0.12 0.74 0.02 0.00 0.00 177.57 178.44 3h0c h THR 636 N 0.28 0.56 -0.46 2.57 2.02 -1.28 0.28 112.91 116.88 3h0c h THR 636 Ca 0.09 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.19 3h0c h THR 636 Cb 0.25 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 3h0c h THR 636 CO -0.00 0.00 -0.01 0.28 0.37 0.00 0.00 175.52 176.16 3h0c h SER 637 N -0.03 0.80 -0.80 4.18 0.02 -1.31 0.78 113.55 117.19 3h0c h SER 637 Ca 0.19 -0.31 0.05 0.00 -0.84 0.00 0.00 61.79 60.89 3h0c h SER 637 Cb 0.33 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.59 3h0c h SER 637 CO -0.43 0.91 0.49 0.24 -1.14 0.00 0.00 176.83 176.91 3h0c h MET 638 N 0.66 0.88 -0.42 3.45 2.86 -0.67 0.13 114.93 121.82 3h0c h MET 638 Ca 0.13 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.61 3h0c h MET 638 Cb 0.51 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 3h0c h MET 638 CO 0.02 0.58 -0.16 0.28 1.06 0.00 0.00 176.91 178.70 3h0c h VAL 639 N 0.91 1.28 -0.18 -2.22 2.07 -0.12 -2.51 116.25 115.47 3h0c h VAL 639 Ca 0.34 -1.29 -0.11 0.00 0.82 0.00 0.00 66.70 66.46 3h0c h VAL 639 Cb 0.14 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3h0c h VAL 639 CO -0.16 0.43 -0.36 -0.07 0.02 0.00 0.00 177.57 177.44 3h0c h LEU 640 N 0.66 0.40 -1.67 2.57 3.38 -0.51 -2.78 115.31 117.37 3h0c h LEU 640 Ca 0.10 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3h0c h LEU 640 Cb 0.71 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3h0c h LEU 640 CO 0.05 0.73 0.00 0.61 0.09 0.00 0.00 178.44 179.92 3h0c n GLY 641 N -0.22 1.24 0.12 0.83 0.00 0.43 -4.22 105.19 103.37 3h0c n GLY 641 Ca -0.01 -0.42 0.02 0.00 0.00 0.00 0.00 46.02 45.61 3h0c n GLY 641 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h0c h SER 642 N 2.10 0.00 -0.56 1.61 4.64 -1.15 -3.42 113.55 116.77 3h0c h SER 642 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3h0c h SER 642 Cb 0.74 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 3h0c h SER 642 CO 0.08 0.47 -0.12 0.61 -0.87 0.00 0.00 176.83 177.00 3h0c n GLY 643 N 1.29 0.42 0.16 -0.77 0.00 -1.26 -4.95 105.19 100.08 3h0c n GLY 643 Ca -0.03 -0.73 0.02 0.00 0.00 0.00 0.00 46.02 45.28 3h0c n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h0c h SER 644 N 0.00 0.00 0.00 1.61 4.64 -1.90 -3.47 113.55 114.43 3h0c h SER 644 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3h0c h SER 644 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3h0c h SER 644 CO 0.16 0.50 0.00 0.61 -0.87 0.00 0.00 176.83 177.22 3h0c n GLY 645 N 0.22 0.76 0.17 -0.77 0.00 -1.26 -4.89 105.19 99.41 3h0c n GLY 645 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3h0c n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3h0c h VAL 646 N 0.00 1.34 -3.09 1.61 2.07 -1.97 -3.45 116.25 112.75 3h0c h VAL 646 Ca 0.00 -2.48 -0.62 0.00 0.82 0.00 0.00 66.70 64.43 3h0c h VAL 646 Cb 0.03 2.58 -0.10 0.00 -1.52 0.00 0.00 31.29 32.28 3h0c h VAL 646 CO 0.00 0.75 -0.42 -0.36 0.02 0.00 0.00 177.57 177.56 3h0c s PHE 647 N -3.10 3.50 -0.03 1.57 0.40 -1.26 -4.61 117.98 114.45 3h0c s PHE 647 Ca -0.08 0.51 -0.21 0.00 -0.60 0.00 0.00 56.93 56.55 3h0c s PHE 647 Cb 0.07 -2.17 -0.28 0.00 0.51 0.00 0.00 43.02 41.16 3h0c s PHE 647 CO 0.91 0.42 0.99 -0.22 0.70 0.00 0.00 175.22 178.01 3h0c h LYS 648 N 6.08 0.34 -3.41 0.44 3.64 -1.31 -3.46 116.57 118.90 3h0c h LYS 648 Ca -0.45 -0.47 -0.01 0.00 -1.27 0.00 0.00 60.65 58.44 3h0c h LYS 648 Cb 1.18 0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 33.08 3h0c h LYS 648 CO 0.70 1.18 0.01 0.00 -2.27 0.00 0.00 179.45 179.07 3h0c s GLY 650 N -2.98 -0.38 -0.08 0.00 0.00 -0.90 -1.96 107.32 101.02 3h0c s GLY 650 Ca 0.18 1.61 0.04 0.00 0.00 0.00 0.00 44.72 46.55 3h0c s GLY 650 CO 0.08 0.82 -0.20 -0.42 0.00 0.00 0.00 173.10 173.38 3h0c s ILE 651 N -1.70 2.48 -0.17 0.90 1.01 -0.41 -1.51 121.20 121.80 3h0c s ILE 651 Ca -0.02 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.75 3h0c s ILE 651 Cb -0.01 -1.96 0.02 0.00 0.01 0.00 0.00 42.46 40.52 3h0c s ILE 651 CO 0.00 0.56 -0.20 0.00 0.00 0.00 0.00 174.94 175.30 3h0c s ALA 652 N -0.00 2.30 -0.25 9.38 0.00 -0.07 -2.45 121.76 130.67 3h0c s ALA 652 Ca -0.07 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 50.66 3h0c s ALA 652 Cb -0.15 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.83 3h0c s ALA 652 CO 0.05 -0.32 -0.01 0.08 0.00 0.00 0.00 175.76 175.56 3h0c s VAL 653 N 1.24 3.35 -1.29 0.00 1.01 -0.36 -1.68 120.40 122.68 3h0c s VAL 653 Ca 0.04 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 3h0c s VAL 653 Cb -0.13 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 3h0c s VAL 653 CO -0.12 0.24 0.67 0.00 0.00 0.00 0.00 175.10 175.89 3h0c n ALA 654 N 4.77 -2.13 -1.81 5.51 0.00 0.78 -1.44 120.51 126.19 3h0c n ALA 654 Ca -0.16 -0.18 -0.33 0.00 0.00 0.00 0.00 53.44 52.77 3h0c n ALA 654 Cb 0.48 -2.39 -0.04 0.00 0.00 0.00 0.00 19.45 17.51 3h0c n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3h0c s PRO 655 N -6.01 3.93 0.37 0.00 0.04 -1.26 -3.74 135.00 128.34 3h0c s PRO 655 Ca 0.10 1.06 -0.25 0.00 0.04 0.00 0.00 61.00 61.95 3h0c s PRO 655 Cb -0.03 -2.13 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 3h0c s PRO 655 CO 0.83 -0.29 1.03 0.08 0.04 0.00 0.00 177.00 178.70 3h0c s VAL 656 N -2.44 3.80 -0.04 -0.36 1.01 -1.25 -4.46 120.40 116.65 3h0c s VAL 656 Ca 0.61 1.43 0.00 0.00 0.00 0.00 0.00 61.98 64.02 3h0c s VAL 656 Cb -0.11 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 3h0c s VAL 656 CO 0.26 0.06 -0.03 -1.54 0.00 0.00 0.00 175.10 173.85 3h0c n SER 657 N 0.16 3.58 -3.71 3.32 3.41 -1.26 -4.28 113.62 114.84 3h0c n SER 657 Ca 0.04 -0.02 -0.15 0.00 -0.26 0.00 0.00 58.87 58.48 3h0c n SER 657 Cb 0.49 -0.06 -0.15 0.00 -0.26 0.00 0.00 64.21 64.23 3h0c n SER 657 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3h0c s ARG 658 N -2.07 0.05 0.54 4.33 3.52 -1.26 -1.08 118.95 122.98 3h0c s ARG 658 Ca -0.05 0.43 0.36 0.00 -0.13 0.00 0.00 55.73 56.34 3h0c s ARG 658 Cb 0.01 -0.24 1.75 0.00 -1.56 0.00 0.00 34.95 34.91 3h0c s ARG 658 CO 0.08 -0.23 2.07 -1.49 -0.81 0.00 0.00 175.30 174.93 3h0c h TRP 659 N 7.73 0.00 0.00 5.12 4.06 -1.82 -1.64 115.95 129.39 3h0c h TRP 659 Ca -0.31 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.64 3h0c h TRP 659 Cb 1.13 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.29 3h0c h TRP 659 CO 0.44 0.00 0.00 0.39 -3.56 0.00 0.00 178.44 175.71 3h0c n GLU 660 N -2.88 0.20 0.05 0.49 1.02 -1.26 -2.83 120.64 115.43 3h0c n GLU 660 Ca -0.01 0.42 -0.02 0.00 -0.02 0.00 0.00 57.16 57.52 3h0c n GLU 660 Cb 0.16 -1.88 -0.08 0.00 -0.02 0.00 0.00 31.44 29.63 3h0c n GLU 660 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 3h0c h TYR 661 N 0.00 0.00 -3.55 -0.32 0.05 -1.67 -3.32 116.97 108.16 3h0c h TYR 661 Ca 0.00 0.00 -0.46 0.00 0.05 0.00 0.00 58.73 58.32 3h0c h TYR 661 Cb 0.38 0.00 0.11 0.00 1.01 0.00 0.00 36.73 38.23 3h0c h TYR 661 CO 0.00 0.71 0.28 -0.47 -1.05 0.00 0.00 178.16 177.63 3h0c s TYR 662 N -2.83 2.19 0.60 4.88 5.04 -1.13 -4.81 117.35 121.28 3h0c s TYR 662 Ca -0.01 0.26 -0.13 0.00 -2.44 0.00 0.00 57.07 54.75 3h0c s TYR 662 Cb 0.08 -3.47 -0.04 0.00 0.35 0.00 0.00 41.96 38.88 3h0c s TYR 662 CO 0.80 -1.91 1.02 0.16 -1.34 0.00 0.00 175.55 174.29 3h0c s ASP 663 N -4.69 6.19 0.06 4.32 1.47 -1.26 -1.40 116.67 121.35 3h0c s ASP 663 Ca 0.66 1.52 -0.24 0.00 1.18 0.00 0.00 52.55 55.68 3h0c s ASP 663 Cb -0.07 -2.49 -0.17 0.00 -0.34 0.00 0.00 42.92 39.85 3h0c s ASP 663 CO 0.48 -0.89 1.59 0.77 0.68 0.00 0.00 175.17 177.80 3h0c h SER 664 N 0.06 -0.02 -0.35 2.11 4.64 -1.14 -1.67 113.55 117.18 3h0c h SER 664 Ca -0.45 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 60.71 3h0c h SER 664 Cb 1.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 3h0c h SER 664 CO 0.61 0.13 0.16 0.58 -0.87 0.00 0.00 176.83 177.44 3h0c h VAL 665 N -0.17 1.17 0.64 0.95 2.07 -1.94 -0.17 116.25 118.81 3h0c h VAL 665 Ca -0.00 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 3h0c h VAL 665 Cb 0.16 0.86 0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3h0c h VAL 665 CO 0.00 0.18 -0.31 0.22 0.02 0.00 0.00 177.57 177.69 3h0c h TYR 666 N 0.43 -0.80 -0.24 1.57 5.03 -1.93 -3.14 116.97 117.90 3h0c h TYR 666 Ca 0.12 -0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.47 3h0c h TYR 666 Cb 0.14 0.26 -0.06 0.00 1.55 0.00 0.00 36.73 38.63 3h0c h TYR 666 CO -0.01 -0.50 -0.14 1.15 -1.32 0.00 0.00 178.16 177.35 3h0c h THR 667 N -1.21 0.59 -0.05 1.81 2.02 -1.30 -2.93 112.91 111.84 3h0c h THR 667 Ca -0.09 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 3h0c h THR 667 Cb 0.66 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 3h0c h THR 667 CO 0.14 0.00 -0.33 -0.33 0.37 0.00 0.00 175.52 175.37 3h0c h GLU 668 N -0.12 0.10 -0.96 6.66 5.08 -1.16 0.18 114.58 124.37 3h0c h GLU 668 Ca 0.13 -0.04 0.27 0.00 -1.00 0.00 0.00 59.36 58.72 3h0c h GLU 668 Cb 0.31 -0.01 -0.14 0.00 0.50 0.00 0.00 28.75 29.42 3h0c h GLU 668 CO -0.31 0.43 0.47 -0.09 -1.00 0.00 0.00 179.01 178.50 3h0c h ARG 669 N 0.09 0.35 0.00 2.33 2.43 -1.45 -2.63 114.38 115.49 3h0c h ARG 669 Ca 0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3h0c h ARG 669 Cb 0.64 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3h0c h ARG 669 CO 0.05 0.23 -1.23 0.66 -1.51 0.00 0.00 179.97 178.17 3h0c n TYR 670 N -5.06 0.00 0.05 2.20 4.01 -0.66 -4.65 117.16 113.06 3h0c n TYR 670 Ca 0.27 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.01 3h0c n TYR 670 Cb 0.81 -0.18 -0.00 0.00 -0.31 0.00 0.00 39.34 39.66 3h0c n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 3h0c n MET 671 N -1.71 4.64 0.00 -0.72 2.81 0.56 0.01 117.12 122.72 3h0c n MET 671 Ca -0.01 -0.15 0.00 0.00 -1.81 0.00 0.00 57.70 55.73 3h0c n MET 671 Cb 0.26 -0.68 0.00 0.00 -0.71 0.00 0.00 33.22 32.09 3h0c n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h0c n GLY 672 N 0.76 0.06 3.85 3.03 0.00 -1.00 -4.64 105.19 107.26 3h0c n GLY 672 Ca 0.00 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 3h0c n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h0c s LEU 673 N 0.00 4.35 -1.46 0.99 1.43 -1.26 -4.36 118.68 118.37 3h0c s LEU 673 Ca 0.00 0.99 -0.10 0.00 -1.03 0.00 0.00 54.13 53.99 3h0c s LEU 673 Cb 0.00 -3.16 0.03 0.00 0.03 0.00 0.00 46.19 43.10 3h0c s LEU 673 CO 0.00 0.13 2.44 -0.81 0.23 0.00 0.00 176.35 178.34 3h0c n PRO 674 N 0.87 3.61 -4.33 1.29 -0.04 -1.26 -1.66 135.00 133.48 3h0c n PRO 674 Ca -0.06 -2.80 -0.19 0.00 -0.04 0.00 0.00 63.50 60.41 3h0c n PRO 674 Cb 0.52 -2.94 -0.11 0.00 -0.04 0.00 0.00 33.50 30.94 3h0c n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3h0c s THR 675 N 1.52 1.71 0.24 0.52 -4.23 -1.26 -4.66 115.64 109.46 3h0c s THR 675 Ca 0.55 -2.05 -0.05 0.00 -1.18 0.00 0.00 61.69 58.95 3h0c s THR 675 Cb 0.15 -1.91 0.20 0.00 1.34 0.00 0.00 72.50 72.29 3h0c s THR 675 CO -0.06 -0.48 1.74 -0.65 -0.54 0.00 0.00 174.62 174.63 3h0c h PRO 676 N 2.92 0.45 -0.73 3.99 0.11 -1.96 -1.46 132.00 135.31 3h0c h PRO 676 Ca -0.40 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 3h0c h PRO 676 Cb 1.21 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 3h0c h PRO 676 CO 0.57 0.30 0.44 0.93 -0.21 0.00 0.00 178.00 180.02 3h0c h GLU 677 N 0.46 0.99 0.00 1.05 3.07 -1.97 -3.43 114.58 114.75 3h0c h GLU 677 Ca 0.39 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 3h0c h GLU 677 Cb 0.54 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3h0c h GLU 677 CO -0.37 0.69 0.00 -3.47 -1.40 0.00 0.00 179.01 174.47 3h0c n ASP 678 N -4.39 0.00 -0.96 1.42 -0.08 -0.68 -5.02 116.55 106.85 3h0c n ASP 678 Ca 0.08 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.41 3h0c n ASP 678 Cb 0.07 0.00 0.11 0.00 2.34 0.00 0.00 41.12 43.64 3h0c n ASP 678 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 3h0c n ASN 679 N 0.00 1.35 -0.28 1.67 4.05 -0.66 -4.82 115.26 116.57 3h0c n ASN 679 Ca 0.00 -2.95 0.07 0.00 0.45 0.00 0.00 54.58 52.16 3h0c n ASN 679 Cb 0.00 -0.41 0.30 0.00 1.23 0.00 0.00 39.78 40.90 3h0c n ASN 679 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 3h0c h LEU 680 N 0.90 0.79 -0.67 1.20 5.85 -1.43 -2.72 115.31 119.23 3h0c h LEU 680 Ca -0.10 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.72 3h0c h LEU 680 Cb 1.41 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.23 3h0c h LEU 680 CO 0.04 0.47 0.34 0.44 -0.34 0.00 0.00 178.44 179.39 3h0c h ASP 681 N 0.88 0.45 1.63 1.25 3.32 -1.88 -1.48 116.42 120.59 3h0c h ASP 681 Ca 0.41 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.49 3h0c h ASP 681 Cb 0.40 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 3h0c h ASP 681 CO -0.17 0.28 -0.38 -0.74 -1.72 0.00 0.00 179.24 176.51 3h0c h HIS 682 N 0.60 0.00 -0.97 4.55 2.76 -1.87 -2.00 115.15 118.21 3h0c h HIS 682 Ca 0.32 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.54 3h0c h HIS 682 Cb 0.29 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.19 3h0c h HIS 682 CO -0.10 0.08 0.63 1.88 -1.30 0.00 0.00 177.93 179.12 3h0c h TYR 683 N 0.00 1.17 0.00 5.26 -1.99 -1.07 -3.00 116.97 117.35 3h0c h TYR 683 Ca -0.01 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.75 3h0c h TYR 683 Cb 1.07 -0.39 -0.00 0.00 2.00 0.00 0.00 36.73 39.41 3h0c h TYR 683 CO 0.00 0.64 -0.52 0.00 -0.00 0.00 0.00 178.16 178.28 3h0c h ARG 684 N 1.17 0.00 0.00 4.88 3.08 -1.17 -3.28 114.38 119.07 3h0c h ARG 684 Ca 0.41 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.42 3h0c h ARG 684 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3h0c h ARG 684 CO -0.15 0.01 -0.17 -0.97 -1.07 0.00 0.00 179.97 177.62 3h0c h ASN 685 N 0.00 0.00 -1.41 7.04 -0.73 -1.29 -3.39 115.58 115.79 3h0c h ASN 685 Ca -0.00 0.00 -0.60 0.00 1.87 0.00 0.00 56.30 57.57 3h0c h ASN 685 Cb 1.01 0.00 -0.41 0.00 0.27 0.00 0.00 38.32 39.20 3h0c h ASN 685 CO 0.00 0.17 -0.56 -1.54 -0.37 0.00 0.00 177.43 175.13 3h0c n SER 686 N -3.18 5.05 -4.92 1.15 3.41 -1.14 -5.02 113.62 108.97 3h0c n SER 686 Ca 0.02 -3.74 -0.24 0.00 -0.26 0.00 0.00 58.87 54.66 3h0c n SER 686 Cb 0.54 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 3h0c n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3h0c s THR 687 N -5.32 5.08 0.11 6.66 -4.23 -1.26 -4.65 115.64 112.03 3h0c s THR 687 Ca 0.49 -0.93 -0.14 0.00 -1.18 0.00 0.00 61.69 59.93 3h0c s THR 687 Cb 0.41 -3.68 -0.08 0.00 1.34 0.00 0.00 72.50 70.49 3h0c s THR 687 CO -0.17 -0.21 1.43 0.58 -0.54 0.00 0.00 174.62 175.72 3h0c h VAL 688 N 1.52 1.29 -0.99 2.29 2.07 -1.44 -3.33 116.25 117.67 3h0c h VAL 688 Ca -0.50 -1.50 0.21 0.00 0.82 0.00 0.00 66.70 65.73 3h0c h VAL 688 Cb 1.21 1.55 -0.11 0.00 -1.52 0.00 0.00 31.29 32.42 3h0c h VAL 688 CO 0.64 0.49 0.58 0.24 0.02 0.00 0.00 177.57 179.54 3h0c h MET 689 N 0.53 0.65 0.00 1.57 2.86 -1.92 -1.06 114.93 117.57 3h0c h MET 689 Ca 0.05 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3h0c h MET 689 Cb 0.91 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.42 3h0c h MET 689 CO 0.08 0.43 0.00 -1.13 1.06 0.00 0.00 176.91 177.35 3h0c n SER 690 N -4.83 0.11 -1.23 1.22 3.41 -1.25 -2.50 113.62 108.54 3h0c n SER 690 Ca 0.24 0.53 0.11 0.00 -0.26 0.00 0.00 58.87 59.49 3h0c n SER 690 Cb 0.63 -0.55 0.29 0.00 -0.26 0.00 0.00 64.21 64.32 3h0c n SER 690 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h0c n ARG 691 N -1.62 2.78 -0.17 4.33 1.74 -0.40 -4.73 116.66 118.58 3h0c n ARG 691 Ca 0.03 -2.56 -0.03 0.00 -0.77 0.00 0.00 57.85 54.52 3h0c n ARG 691 Cb 0.16 -1.52 0.04 0.00 -1.02 0.00 0.00 32.46 30.12 3h0c n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h0c h ALA 692 N 3.88 0.32 -1.01 7.54 0.00 -1.59 -1.40 119.26 127.00 3h0c h ALA 692 Ca 0.00 0.20 0.25 0.00 0.00 0.00 0.00 54.91 55.36 3h0c h ALA 692 Cb 0.95 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 19.07 3h0c h ALA 692 CO 0.00 -0.45 0.66 0.93 0.00 0.00 0.00 179.25 180.40 3h0c h GLU 693 N -0.01 0.36 0.00 0.00 4.39 -1.87 -1.18 114.58 116.27 3h0c h GLU 693 Ca 0.25 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.93 3h0c h GLU 693 Cb 0.39 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3h0c h GLU 693 CO -0.54 0.24 0.00 0.09 -1.16 0.00 0.00 179.01 177.64 3h0c n ASN 694 N -4.56 0.04 0.09 1.42 3.02 -0.53 -2.91 115.26 111.82 3h0c n ASN 694 Ca 0.24 0.51 0.12 0.00 -0.03 0.00 0.00 54.58 55.41 3h0c n ASN 694 Cb 0.85 -0.51 0.45 0.00 -0.61 0.00 0.00 39.78 39.96 3h0c n ASN 694 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3h0c n PHE 695 N -1.54 0.64 0.31 3.10 3.01 -0.44 -2.36 117.46 120.18 3h0c n PHE 695 Ca 0.06 0.22 0.19 0.00 1.01 0.00 0.00 57.45 58.93 3h0c n PHE 695 Cb 0.28 -0.86 1.05 0.00 -0.01 0.00 0.00 39.48 39.93 3h0c n PHE 695 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 3h0c h LYS 696 N 0.00 0.00 -0.01 -1.08 1.57 -1.70 -2.87 116.57 112.49 3h0c h LYS 696 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3h0c h LYS 696 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3h0c h LYS 696 CO 0.00 0.00 -0.09 1.04 -0.57 0.00 0.00 179.45 179.83 3h0c n GLN 697 N -3.42 1.20 -4.00 3.15 6.02 -0.99 -4.95 117.38 114.39 3h0c n GLN 697 Ca -0.02 -0.61 -0.08 0.00 -0.01 0.00 0.00 57.00 56.27 3h0c n GLN 697 Cb 0.12 -1.49 -0.09 0.00 1.02 0.00 0.00 30.24 29.81 3h0c n GLN 697 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3h0c s VAL 698 N -2.22 0.17 -0.26 5.09 -7.23 -1.08 -4.95 120.40 109.92 3h0c s VAL 698 Ca 0.34 -1.55 -0.16 0.00 -1.81 0.00 0.00 61.98 58.80 3h0c s VAL 698 Cb 0.20 -1.53 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 3h0c s VAL 698 CO 0.41 -0.76 0.43 -1.61 -0.31 0.00 0.00 175.10 173.27 3h0c s GLU 699 N -3.91 4.06 -0.07 4.82 2.02 -0.86 -4.98 118.70 119.77 3h0c s GLU 699 Ca 0.09 0.17 0.04 0.00 0.02 0.00 0.00 54.97 55.28 3h0c s GLU 699 Cb 0.06 -3.64 -0.02 0.00 0.10 0.00 0.00 34.13 30.64 3h0c s GLU 699 CO -0.08 -0.28 -0.17 -0.47 0.02 0.00 0.00 175.26 174.28 3h0c s TYR 700 N 2.06 2.64 -0.17 1.61 5.04 -1.26 -2.12 117.35 125.16 3h0c s TYR 700 Ca 0.18 -0.46 0.01 0.00 -2.44 0.00 0.00 57.07 54.36 3h0c s TYR 700 Cb -0.16 -1.67 0.03 0.00 0.35 0.00 0.00 41.96 40.51 3h0c s TYR 700 CO 0.09 -0.04 -0.15 -1.17 -1.34 0.00 0.00 175.55 172.95 3h0c s LEU 701 N -0.28 1.93 -0.11 6.97 2.96 -0.57 -1.00 118.68 128.58 3h0c s LEU 701 Ca 0.01 -0.62 -0.00 0.00 -0.22 0.00 0.00 54.13 53.30 3h0c s LEU 701 Cb -0.13 -1.26 -0.02 0.00 0.50 0.00 0.00 46.19 45.28 3h0c s LEU 701 CO 0.03 -0.06 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.68 3h0c s LEU 702 N 1.42 2.96 -0.01 -0.68 2.96 -0.12 -0.89 118.68 124.32 3h0c s LEU 702 Ca 0.03 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 3h0c s LEU 702 Cb -0.14 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.89 3h0c s LEU 702 CO -0.11 0.24 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.50 3h0c s ILE 703 N -0.06 0.28 -0.12 6.68 1.01 -0.68 -1.04 121.20 127.27 3h0c s ILE 703 Ca -0.01 -0.10 -0.16 0.00 0.00 0.00 0.00 60.65 60.38 3h0c s ILE 703 Cb -0.14 -0.27 0.04 0.00 0.01 0.00 0.00 42.46 42.10 3h0c s ILE 703 CO 0.03 0.11 0.42 -2.28 0.00 0.00 0.00 174.94 173.22 3h0c s HIS 704 N 0.23 -0.42 0.21 3.97 2.46 -0.77 -0.16 115.29 120.81 3h0c s HIS 704 Ca -0.02 0.96 -0.27 0.00 0.47 0.00 0.00 55.06 56.20 3h0c s HIS 704 Cb -0.05 0.17 -0.09 0.00 -0.13 0.00 0.00 32.58 32.48 3h0c s HIS 704 CO -0.00 -0.29 0.85 0.20 -2.47 0.00 0.00 174.74 173.03 3h0c s GLY 705 N -0.21 2.96 0.20 1.59 0.00 -1.26 -1.51 107.32 109.10 3h0c s GLY 705 Ca -0.04 0.46 0.10 0.00 0.00 0.00 0.00 44.72 45.25 3h0c s GLY 705 CO 0.02 0.97 1.42 -0.91 0.00 0.00 0.00 173.10 174.60 3h0c h THR 706 N 3.15 1.43 -0.68 0.90 1.35 -1.35 -3.14 112.91 114.56 3h0c h THR 706 Ca -0.46 -2.77 -0.28 0.00 -0.55 0.00 0.00 66.41 62.34 3h0c h THR 706 Cb 1.20 2.55 -0.17 0.00 -1.73 0.00 0.00 68.15 70.00 3h0c h THR 706 CO 0.67 0.76 0.36 0.00 -0.25 0.00 0.00 175.52 177.05 3h0c n ALA 707 N -2.33 4.53 -2.31 6.62 0.00 -0.92 -4.66 120.51 121.44 3h0c n ALA 707 Ca 0.00 -2.04 -0.43 0.00 0.00 0.00 0.00 53.44 50.97 3h0c n ALA 707 Cb 0.80 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.95 3h0c n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3h0c s ASP 708 N -0.74 6.31 0.00 0.00 -1.08 -1.19 -4.31 116.67 115.65 3h0c s ASP 708 Ca 0.44 0.93 0.27 0.00 -0.52 0.00 0.00 52.55 53.67 3h0c s ASP 708 Cb 0.36 -2.54 0.82 0.00 -1.46 0.00 0.00 42.92 40.10 3h0c s ASP 708 CO 0.10 -1.44 1.62 -0.90 0.52 0.00 0.00 175.17 175.07 3h0c n ASP 709 N 8.90 0.46 0.00 -0.34 5.75 -1.26 -3.89 116.55 126.17 3h0c n ASP 709 Ca 0.17 -0.23 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 3h0c n ASP 709 Cb 0.48 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 3h0c n ASP 709 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3h0c n ASN 710 N -1.30 0.00 -4.41 -1.12 4.05 -1.26 -4.75 115.26 106.47 3h0c n ASN 710 Ca 0.08 0.04 -0.44 0.00 0.45 0.00 0.00 54.58 54.71 3h0c n ASN 710 Cb 0.33 -0.32 -0.05 0.00 1.23 0.00 0.00 39.78 40.97 3h0c n ASN 710 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3h0c s VAL 711 N -0.64 4.85 0.63 3.44 1.01 -1.26 -4.87 120.40 123.56 3h0c s VAL 711 Ca 0.00 -0.78 -0.18 0.00 0.00 0.00 0.00 61.98 61.02 3h0c s VAL 711 Cb 0.00 -4.40 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 3h0c s VAL 711 CO 0.00 -0.98 1.23 -1.00 0.00 0.00 0.00 175.10 174.35 3h0c s HIS 712 N 2.64 2.26 0.43 5.22 3.76 -1.25 -4.73 115.29 123.63 3h0c s HIS 712 Ca 0.13 1.52 0.19 0.00 -0.15 0.00 0.00 55.06 56.75 3h0c s HIS 712 Cb -0.22 -3.53 1.13 0.00 1.11 0.00 0.00 32.58 31.07 3h0c s HIS 712 CO 0.09 -2.45 1.85 0.35 -0.85 0.00 0.00 174.74 173.73 3h0c h PHE 713 N 0.61 0.49 -0.87 1.40 3.57 -1.79 -1.44 116.94 118.90 3h0c h PHE 713 Ca -0.50 0.02 0.30 0.00 3.53 0.00 0.00 57.97 61.32 3h0c h PHE 713 Cb 1.31 -0.15 -0.16 0.00 2.79 0.00 0.00 35.95 39.74 3h0c h PHE 713 CO 0.45 0.12 0.25 0.94 -2.23 0.00 0.00 178.31 177.84 3h0c n GLN 714 N -4.49 -0.06 -0.07 1.11 7.27 -1.26 -0.73 117.38 119.14 3h0c n GLN 714 Ca 0.20 1.25 -0.10 0.00 0.07 0.00 0.00 57.00 58.42 3h0c n GLN 714 Cb 0.75 -2.11 -0.03 0.00 2.41 0.00 0.00 30.24 31.26 3h0c n GLN 714 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 3h0c h GLN 715 N 0.00 0.36 -0.01 3.69 4.20 -1.58 0.84 115.11 122.61 3h0c h GLN 715 Ca 0.63 -0.04 -0.25 0.00 0.06 0.00 0.00 58.65 59.06 3h0c h GLN 715 Cb 1.53 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 29.25 3h0c h GLN 715 CO -0.74 0.31 -0.98 0.77 -0.67 0.00 0.00 178.83 177.51 3h0c h SER 716 N 0.32 0.78 -0.97 1.46 0.02 -1.29 -2.91 113.55 110.94 3h0c h SER 716 Ca 0.09 -0.61 0.15 0.00 -0.84 0.00 0.00 61.79 60.59 3h0c h SER 716 Cb 0.04 -0.24 -0.09 0.00 0.14 0.00 0.00 62.40 62.26 3h0c h SER 716 CO -0.02 1.41 0.61 0.00 -1.14 0.00 0.00 176.83 177.69 3h0c h ALA 717 N 0.55 1.68 -0.20 3.77 0.00 -0.76 -0.86 119.26 123.44 3h0c h ALA 717 Ca -0.10 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 3h0c h ALA 717 Cb 1.62 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 3h0c h ALA 717 CO 0.19 0.04 -0.56 1.96 0.00 0.00 0.00 179.25 180.87 3h0c h GLN 718 N 0.83 0.62 0.28 0.00 1.08 -0.80 -2.86 115.11 114.25 3h0c h GLN 718 Ca 0.51 -0.40 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 3h0c h GLN 718 Cb 0.70 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 3h0c h GLN 718 CO -0.28 1.01 -0.13 0.82 -0.95 0.00 0.00 178.83 179.30 3h0c h ILE 719 N 0.48 0.73 -0.94 2.54 2.04 -1.00 -2.71 117.51 118.64 3h0c h ILE 719 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3h0c h ILE 719 Cb 1.12 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 3h0c h ILE 719 CO 0.11 0.00 0.60 0.77 0.00 0.00 0.00 178.15 179.63 3h0c h SER 720 N -0.37 1.11 -0.24 1.72 4.64 -1.32 -1.87 113.55 117.21 3h0c h SER 720 Ca -0.04 -0.05 0.05 0.00 -0.47 0.00 0.00 61.79 61.29 3h0c h SER 720 Cb 0.28 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 62.05 3h0c h SER 720 CO 0.06 0.82 -0.08 0.50 -0.87 0.00 0.00 176.83 177.27 3h0c h LYS 721 N 1.29 -0.03 -0.41 4.77 3.64 -1.42 0.42 116.57 124.83 3h0c h LYS 721 Ca 0.34 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.69 3h0c h LYS 721 Cb -0.10 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3h0c h LYS 721 CO -0.07 -0.02 0.12 0.00 -2.27 0.00 0.00 179.45 177.21 3h0c h ALA 722 N 1.20 1.44 -0.08 5.00 0.00 -1.09 0.28 119.26 126.01 3h0c h ALA 722 Ca 0.12 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 3h0c h ALA 722 Cb 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3h0c h ALA 722 CO -0.27 0.42 -0.72 -0.07 0.00 0.00 0.00 179.25 178.61 3h0c h LEU 723 N 0.59 0.47 -0.39 0.00 3.38 -0.91 -2.92 115.31 115.52 3h0c h LEU 723 Ca 0.14 -0.30 -0.18 0.00 0.09 0.00 0.00 57.88 57.63 3h0c h LEU 723 Cb 0.20 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3h0c h LEU 723 CO -0.01 1.04 -0.59 0.58 0.09 0.00 0.00 178.44 179.56 3h0c h VAL 724 N 0.27 1.30 0.00 1.22 2.07 -0.57 0.20 116.25 120.73 3h0c h VAL 724 Ca -0.03 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.68 3h0c h VAL 724 Cb 1.29 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 3h0c h VAL 724 CO 0.12 0.57 0.00 0.44 0.02 0.00 0.00 177.57 178.73 3h0c h ASP 725 N 0.53 0.00 -0.00 0.57 5.19 -0.97 -2.96 116.42 118.77 3h0c h ASP 725 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3h0c h ASP 725 Cb 1.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.68 3h0c h ASP 725 CO 0.12 0.00 -0.40 0.52 -3.12 0.00 0.00 179.24 176.36 3h0c n VAL 726 N -2.67 0.00 -1.24 -1.35 0.31 -1.11 -5.02 118.33 107.25 3h0c n VAL 726 Ca 0.02 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 3h0c n VAL 726 Cb 0.31 1.07 0.00 0.00 -0.91 0.00 0.00 33.84 34.30 3h0c n VAL 726 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h0c n GLY 727 N 1.13 0.81 3.72 2.92 0.00 -0.62 -4.97 105.19 108.19 3h0c n GLY 727 Ca 0.03 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 3h0c n GLY 727 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h0c s VAL 728 N -2.00 5.27 0.11 1.61 1.01 0.60 -5.02 120.40 121.97 3h0c s VAL 728 Ca 0.00 0.66 -0.24 0.00 0.00 0.00 0.00 61.98 62.40 3h0c s VAL 728 Cb 0.00 -3.68 -0.07 0.00 0.00 0.00 0.00 36.38 32.63 3h0c s VAL 728 CO 0.00 0.36 0.71 -0.62 0.00 0.00 0.00 175.10 175.55 3h0c s ASP 729 N 0.57 7.25 0.33 3.32 2.15 -1.26 -4.52 116.67 124.51 3h0c s ASP 729 Ca 0.19 1.48 -0.14 0.00 0.43 0.00 0.00 52.55 54.51 3h0c s ASP 729 Cb -0.14 -2.45 0.03 0.00 -0.30 0.00 0.00 42.92 40.06 3h0c s ASP 729 CO 0.06 0.18 0.67 0.72 -0.17 0.00 0.00 175.17 176.62 3h0c s PHE 730 N -0.84 0.23 -0.07 -5.34 -0.71 -1.26 -4.74 117.98 105.26 3h0c s PHE 730 Ca 0.34 -0.73 0.02 0.00 -1.04 0.00 0.00 56.93 55.53 3h0c s PHE 730 Cb -0.21 0.54 -0.03 0.00 -1.21 0.00 0.00 43.02 42.11 3h0c s PHE 730 CO 0.23 -1.31 -0.12 -0.65 -1.34 0.00 0.00 175.22 172.03 3h0c s GLN 731 N -3.15 2.71 0.10 1.99 1.11 -0.17 -5.02 119.66 117.23 3h0c s GLN 731 Ca 0.18 -0.65 0.07 0.00 0.01 0.00 0.00 55.36 54.97 3h0c s GLN 731 Cb -0.04 -2.48 -0.03 0.00 -1.01 0.00 0.00 33.01 29.45 3h0c s GLN 731 CO 0.11 0.57 -0.17 0.00 0.01 0.00 0.00 175.29 175.81 3h0c s ALA 732 N -0.58 1.57 -0.19 6.09 0.00 -1.26 -0.94 121.76 126.45 3h0c s ALA 732 Ca 0.08 -1.20 -0.06 0.00 0.00 0.00 0.00 51.96 50.78 3h0c s ALA 732 Cb -0.11 -0.16 0.09 0.00 0.00 0.00 0.00 23.12 22.93 3h0c s ALA 732 CO 0.01 0.24 0.39 1.41 0.00 0.00 0.00 175.76 177.82 3h0c s MET 733 N -2.08 0.29 -0.06 0.00 1.75 -0.20 -4.94 119.30 114.06 3h0c s MET 733 Ca 0.05 0.97 -0.04 0.00 -1.25 0.00 0.00 55.69 55.42 3h0c s MET 733 Cb -0.09 0.25 -0.04 0.00 2.84 0.00 0.00 34.83 37.79 3h0c s MET 733 CO 0.04 -0.27 0.14 1.67 -0.65 0.00 0.00 175.02 175.95 3h0c s TRP 734 N 2.58 3.52 -0.31 4.11 -2.14 -1.26 -1.85 118.94 123.58 3h0c s TRP 734 Ca -0.01 0.40 0.00 0.00 2.66 0.00 0.00 56.10 59.16 3h0c s TRP 734 Cb -0.12 -1.86 0.07 0.00 -3.10 0.00 0.00 33.47 28.45 3h0c s TRP 734 CO -0.12 0.67 0.01 0.71 -2.66 0.00 0.00 176.95 175.56 3h0c s TYR 735 N -1.15 3.40 0.13 1.66 2.02 -0.57 -4.97 117.35 117.87 3h0c s TYR 735 Ca 0.20 -2.25 -0.30 0.00 -0.37 0.00 0.00 57.07 54.35 3h0c s TYR 735 Cb -0.12 -2.37 -0.07 0.00 -0.40 0.00 0.00 41.96 39.00 3h0c s TYR 735 CO 0.11 -0.87 1.18 -0.08 -1.57 0.00 0.00 175.55 174.31 3h0c s THR 736 N 1.14 3.83 0.00 -0.71 -1.32 -1.26 -1.88 115.64 115.44 3h0c s THR 736 Ca -0.02 1.44 0.00 0.00 -1.21 0.00 0.00 61.69 61.90 3h0c s THR 736 Cb -0.20 -3.92 0.00 0.00 -1.51 0.00 0.00 72.50 66.87 3h0c s THR 736 CO -0.04 0.18 0.00 0.47 -2.21 0.00 0.00 174.62 173.02 3h0c n ASP 737 N 3.13 0.00 -4.77 8.08 9.92 -1.26 -4.89 116.55 126.76 3h0c n ASP 737 Ca 0.06 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 53.93 3h0c n ASP 737 Cb 0.46 -0.83 -0.06 0.00 -0.64 0.00 0.00 41.12 40.04 3h0c n ASP 737 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 3h0c s GLU 738 N -0.28 4.66 0.00 -1.24 0.41 -1.10 -4.62 118.70 116.53 3h0c s GLU 738 Ca 0.00 1.29 0.00 0.00 -0.41 0.00 0.00 54.97 55.85 3h0c s GLU 738 Cb 0.00 -3.19 0.00 0.00 -1.78 0.00 0.00 34.13 29.16 3h0c s GLU 738 CO 0.00 0.51 0.00 -0.40 -0.49 0.00 0.00 175.26 174.88 3h0c n ASP 739 N 1.38 0.00 0.06 -0.19 5.68 -1.26 -2.16 116.55 120.06 3h0c n ASP 739 Ca -0.03 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.25 3h0c n ASP 739 Cb 0.48 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.74 3h0c n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 3h0c h HIS 740 N 0.00 0.38 0.00 2.11 -0.00 -1.92 -3.05 115.15 112.68 3h0c h HIS 740 Ca 0.00 -0.07 -0.11 0.00 -0.00 0.00 0.00 60.37 60.18 3h0c h HIS 740 Cb 0.00 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.30 3h0c h HIS 740 CO 0.00 0.56 -0.55 0.78 -0.00 0.00 0.00 177.93 178.73 3h0c h GLY 741 N 0.98 0.00 -6.59 5.26 0.00 -2.00 -3.48 103.07 97.23 3h0c h GLY 741 Ca 0.05 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.86 3h0c h GLY 741 CO 0.04 0.00 -0.96 1.39 0.00 0.00 0.00 176.54 177.01 3h0c n ILE 742 N -3.29 -3.93 -0.70 2.60 5.41 -1.15 -4.90 119.36 113.39 3h0c n ILE 742 Ca 0.01 -0.73 0.07 0.00 1.00 0.00 0.00 62.75 63.10 3h0c n ILE 742 Cb 0.72 -3.09 0.15 0.00 -0.71 0.00 0.00 39.64 36.72 3h0c n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3h0c n ALA 743 N -4.57 2.42 -1.96 -1.39 0.00 -1.26 -3.53 120.51 110.22 3h0c n ALA 743 Ca -0.15 -1.98 -0.41 0.00 0.00 0.00 0.00 53.44 50.90 3h0c n ALA 743 Cb 0.60 -0.41 -0.04 0.00 0.00 0.00 0.00 19.45 19.60 3h0c n ALA 743 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3h0c s SER 744 N -1.94 7.30 0.25 0.00 1.04 -1.26 -4.82 113.70 114.27 3h0c s SER 744 Ca 0.27 2.12 -0.06 0.00 0.48 0.00 0.00 55.95 58.77 3h0c s SER 744 Cb 0.22 -2.61 0.47 0.00 0.10 0.00 0.00 66.02 64.19 3h0c s SER 744 CO 0.06 -0.17 1.63 0.77 0.98 0.00 0.00 173.24 176.52 3h0c h SER 745 N 4.69 -0.32 -0.70 7.02 4.64 -1.99 0.34 113.55 127.23 3h0c h SER 745 Ca -0.45 0.20 -0.06 0.00 -0.47 0.00 0.00 61.79 61.01 3h0c h SER 745 Cb 1.21 0.34 -0.03 0.00 -0.31 0.00 0.00 62.40 63.61 3h0c h SER 745 CO 0.71 -0.18 0.20 0.71 -0.87 0.00 0.00 176.83 177.40 3h0c h THR 746 N 0.11 1.26 -0.13 2.95 1.35 -1.98 -1.69 112.91 114.78 3h0c h THR 746 Ca 0.43 -0.92 -0.21 0.00 -0.55 0.00 0.00 66.41 65.15 3h0c h THR 746 Cb 0.77 0.52 0.01 0.00 -1.73 0.00 0.00 68.15 67.72 3h0c h THR 746 CO -0.67 0.36 -0.74 0.00 -0.25 0.00 0.00 175.52 174.22 3h0c h ALA 747 N 1.09 0.27 -0.26 6.62 0.00 -1.33 -1.90 119.26 123.75 3h0c h ALA 747 Ca 0.22 -0.59 0.06 0.00 0.00 0.00 0.00 54.91 54.61 3h0c h ALA 747 Cb 0.33 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 3h0c h ALA 747 CO -0.00 0.62 -0.25 1.25 0.00 0.00 0.00 179.25 180.86 3h0c h HIS 748 N 0.44 -0.66 -0.84 0.00 2.76 -0.39 0.05 115.15 116.50 3h0c h HIS 748 Ca -0.06 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 3h0c h HIS 748 Cb 1.38 0.33 -0.04 0.00 1.55 0.00 0.00 27.41 30.63 3h0c h HIS 748 CO 0.10 -0.33 0.45 1.96 -1.30 0.00 0.00 177.93 178.81 3h0c h GLN 749 N -0.25 1.17 -0.12 5.26 4.20 -1.31 -2.97 115.11 121.09 3h0c h GLN 749 Ca 0.14 -0.14 -0.20 0.00 0.06 0.00 0.00 58.65 58.52 3h0c h GLN 749 Cb 0.47 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3h0c h GLN 749 CO -0.41 0.86 -0.73 1.25 -0.67 0.00 0.00 178.83 179.14 3h0c h HIS 750 N 1.17 0.79 -0.21 2.96 2.76 -0.75 -2.53 115.15 119.34 3h0c h HIS 750 Ca 0.29 -0.34 -0.12 0.00 -2.20 0.00 0.00 60.37 58.00 3h0c h HIS 750 Cb 0.04 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 28.88 3h0c h HIS 750 CO 0.01 1.13 -0.34 0.97 -1.30 0.00 0.00 177.93 178.40 3h0c h ILE 751 N 0.41 1.33 -0.04 6.26 2.10 -1.00 -1.74 117.51 124.83 3h0c h ILE 751 Ca -0.03 -1.56 -0.12 0.00 1.08 0.00 0.00 64.86 64.23 3h0c h ILE 751 Cb 1.32 1.82 -0.01 0.00 -1.09 0.00 0.00 36.82 38.86 3h0c h ILE 751 CO 0.14 0.48 -0.53 1.88 -1.08 0.00 0.00 178.15 179.04 3h0c h TYR 752 N 0.28 0.12 -0.05 2.19 0.05 -1.57 -0.34 116.97 117.65 3h0c h TYR 752 Ca 0.02 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 3h0c h TYR 752 Cb 0.93 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.64 3h0c h TYR 752 CO 0.09 0.60 0.01 1.15 -1.05 0.00 0.00 178.16 178.96 3h0c h THR 753 N 0.08 1.20 -0.81 -2.88 2.02 -1.46 -0.43 112.91 110.63 3h0c h THR 753 Ca -0.00 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 3h0c h THR 753 Cb 0.95 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 68.85 3h0c h THR 753 CO 0.07 0.17 0.49 -0.74 0.37 0.00 0.00 175.52 175.88 3h0c h HIS 754 N -0.16 1.07 -0.37 3.16 -0.00 -1.09 -2.39 115.15 115.38 3h0c h HIS 754 Ca 0.01 -0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 60.24 3h0c h HIS 754 Cb 0.26 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.31 3h0c h HIS 754 CO 0.01 0.72 -0.32 0.52 -0.00 0.00 0.00 177.93 178.86 3h0c h MET 755 N 1.12 0.82 -0.60 5.26 2.07 -1.04 -2.86 114.93 119.69 3h0c h MET 755 Ca 0.29 -0.39 0.00 0.00 -2.07 0.00 0.00 59.70 57.54 3h0c h MET 755 Cb -0.04 -0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 29.65 3h0c h MET 755 CO -0.05 1.02 0.39 0.77 1.07 0.00 0.00 176.91 180.10 3h0c h SER 756 N 0.69 0.70 -0.48 1.22 0.02 -0.77 -1.98 113.55 112.95 3h0c h SER 756 Ca 0.07 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3h0c h SER 756 Cb 0.87 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 3h0c h SER 756 CO 0.08 0.52 0.19 0.45 -1.14 0.00 0.00 176.83 176.93 3h0c h HIS 757 N 0.82 0.78 -0.39 3.45 3.86 -1.42 -2.03 115.15 120.22 3h0c h HIS 757 Ca 0.22 -0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.33 3h0c h HIS 757 Cb -0.07 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.14 3h0c h HIS 757 CO -0.03 0.62 0.02 0.35 0.86 0.00 0.00 177.93 179.75 3h0c h PHE 758 N 0.76 0.73 -0.30 2.45 3.04 -1.23 -2.08 116.94 120.31 3h0c h PHE 758 Ca 0.18 -0.12 -0.15 0.00 3.98 0.00 0.00 57.97 61.86 3h0c h PHE 758 Cb 0.18 -0.19 -0.00 0.00 2.56 0.00 0.00 35.95 38.50 3h0c h PHE 758 CO 0.01 0.74 -0.40 0.82 -2.02 0.00 0.00 178.31 177.46 3h0c h ILE 759 N 0.50 1.29 -0.71 1.41 1.08 -1.24 -1.31 117.51 118.53 3h0c h ILE 759 Ca 0.11 -1.59 -0.03 0.00 -0.39 0.00 0.00 64.86 62.96 3h0c h ILE 759 Cb 0.44 1.60 -0.03 0.00 -3.07 0.00 0.00 36.82 35.76 3h0c h ILE 759 CO 0.02 0.51 0.33 0.11 -0.69 0.00 0.00 178.15 178.43 3h0c h LYS 760 N 0.56 1.03 -0.05 2.37 1.57 -1.40 -0.27 116.57 120.38 3h0c h LYS 760 Ca 0.03 -0.16 -0.16 0.00 -1.87 0.00 0.00 60.65 58.50 3h0c h LYS 760 Cb 1.00 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 3h0c h LYS 760 CO 0.09 0.82 -0.68 -0.56 -0.57 0.00 0.00 179.45 178.56 3h0c h GLN 761 N 1.00 0.22 -0.37 3.15 -0.00 -1.38 0.38 115.11 118.10 3h0c h GLN 761 Ca 0.24 -0.17 -0.02 0.00 -0.00 0.00 0.00 58.65 58.70 3h0c h GLN 761 Cb 0.13 0.03 -0.02 0.00 -0.00 0.00 0.00 27.48 27.63 3h0c h GLN 761 CO -0.03 0.81 0.13 0.00 -0.00 0.00 0.00 178.83 179.74 3h0c n PHE 763 N -4.37 1.13 -3.77 0.00 3.72 -0.13 -4.95 117.46 109.09 3h0c n PHE 763 Ca 0.02 -0.51 -0.29 0.00 -0.05 0.00 0.00 57.45 56.62 3h0c n PHE 763 Cb 0.16 -0.08 0.02 0.00 -0.94 0.00 0.00 39.48 38.64 3h0c n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3h0c n SER 764 N 1.45 -4.86 -4.59 4.37 7.64 -0.87 -4.98 113.62 111.78 3h0c n SER 764 Ca 0.24 -0.68 -0.37 0.00 1.01 0.00 0.00 58.87 59.08 3h0c n SER 764 Cb 0.69 -3.89 -0.11 0.00 -1.01 0.00 0.00 64.21 59.90 3h0c n SER 764 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3h0c s LEU 765 N -7.14 3.90 0.00 -3.43 1.43 0.13 -5.03 118.68 108.54 3h0c s LEU 765 Ca 0.61 0.01 0.29 0.00 -1.03 0.00 0.00 54.13 54.00 3h0c s LEU 765 Cb -0.30 -2.05 1.74 0.00 0.03 0.00 0.00 46.19 45.61 3h0c s LEU 765 CO 0.75 0.03 2.07 -0.81 0.23 0.00 0.00 176.35 178.62