#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0c s ARG 40 N 0.00 1.80 0.91 -1.46 3.00 -1.26 -5.04 118.95 116.90 3h0c s ARG 40 Ca 0.00 1.12 -0.12 0.00 0.00 0.00 0.00 55.73 56.74 3h0c s ARG 40 Cb 0.00 -1.85 0.14 0.00 0.00 0.00 0.00 34.95 33.24 3h0c s ARG 40 CO 0.00 -1.95 1.09 -1.59 0.00 0.00 0.00 175.30 172.85 3h0c s LYS 41 N -4.87 1.12 0.29 3.54 -2.85 -1.25 -4.70 119.74 111.01 3h0c s LYS 41 Ca 0.62 0.83 0.08 0.00 -1.00 0.00 0.00 55.97 56.51 3h0c s LYS 41 Cb -0.18 -1.79 -0.04 0.00 -2.06 0.00 0.00 37.83 33.76 3h0c s LYS 41 CO 0.57 -2.34 0.11 -0.08 0.10 0.00 0.00 175.35 173.71 3h0c s THR 42 N -2.91 3.54 -0.67 3.79 -1.32 -1.26 -1.19 115.64 115.62 3h0c s THR 42 Ca 0.64 -1.68 -0.27 0.00 -1.21 0.00 0.00 61.69 59.17 3h0c s THR 42 Cb -0.18 -3.04 -0.00 0.00 -1.51 0.00 0.00 72.50 67.76 3h0c s THR 42 CO 0.57 -0.29 1.67 -0.47 -2.21 0.00 0.00 174.62 173.89 3h0c s TYR 43 N -2.31 1.88 0.90 9.09 5.04 -1.26 -4.87 117.35 125.82 3h0c s TYR 43 Ca 0.35 0.48 -0.14 0.00 -2.44 0.00 0.00 57.07 55.31 3h0c s TYR 43 Cb -0.05 -4.28 0.16 0.00 0.35 0.00 0.00 41.96 38.13 3h0c s TYR 43 CO 0.22 -2.21 1.27 0.95 -1.34 0.00 0.00 175.55 174.44 3h0c s THR 44 N 7.94 2.01 0.21 4.34 -4.23 -1.26 -4.27 115.64 120.38 3h0c s THR 44 Ca 0.56 -0.01 -0.02 0.00 -1.18 0.00 0.00 61.69 61.04 3h0c s THR 44 Cb -0.11 -2.99 -0.01 0.00 1.34 0.00 0.00 72.50 70.73 3h0c s THR 44 CO 0.18 0.00 1.58 0.25 -0.54 0.00 0.00 174.62 176.08 3h0c h LEU 45 N -1.41 0.64 0.09 4.79 5.85 -1.94 -2.96 115.31 120.36 3h0c h LEU 45 Ca -0.45 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.00 3h0c h LEU 45 Cb 1.27 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 3h0c h LEU 45 CO 0.48 0.97 -0.16 0.74 -0.34 0.00 0.00 178.44 180.13 3h0c h THR 46 N 0.49 0.63 -0.81 1.05 2.02 -1.97 0.19 112.91 114.51 3h0c h THR 46 Ca 0.04 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.41 3h0c h THR 46 Cb 0.92 0.63 -0.12 0.00 -1.74 0.00 0.00 68.15 67.84 3h0c h THR 46 CO 0.08 0.00 0.25 0.44 0.37 0.00 0.00 175.52 176.66 3h0c h ASP 47 N -0.31 0.10 0.52 4.18 3.32 -1.91 0.65 116.42 122.97 3h0c h ASP 47 Ca 0.03 0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 3h0c h ASP 47 Cb 0.33 0.19 0.01 0.00 0.22 0.00 0.00 39.33 40.08 3h0c h ASP 47 CO -0.09 -0.04 -0.25 0.22 -1.72 0.00 0.00 179.24 177.35 3h0c h TYR 48 N 0.30 -0.65 -0.83 4.55 3.20 -1.31 -1.24 116.97 120.99 3h0c h TYR 48 Ca 0.48 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.39 3h0c h TYR 48 Cb 0.87 0.22 -0.05 0.00 1.54 0.00 0.00 36.73 39.31 3h0c h TYR 48 CO -0.23 -0.41 0.54 -0.07 -1.64 0.00 0.00 178.16 176.36 3h0c h LEU 49 N -1.03 0.83 -1.69 2.82 4.07 -0.11 -2.37 115.31 117.84 3h0c h LEU 49 Ca -0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.89 3h0c h LEU 49 Cb 0.54 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.10 3h0c h LEU 49 CO 0.12 0.55 -0.03 0.29 -1.08 0.00 0.00 178.44 178.29 3h0c n LYS 50 N -4.47 2.13 -3.42 1.13 5.02 0.22 -4.97 118.16 113.80 3h0c n LYS 50 Ca 0.12 -1.69 -0.17 0.00 -2.02 0.00 0.00 58.31 54.55 3h0c n LYS 50 Cb 0.18 -1.46 0.09 0.00 -0.02 0.00 0.00 35.03 33.81 3h0c n LYS 50 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3h0c n ASN 51 N 1.04 -2.34 -0.15 4.39 4.05 -0.68 -4.94 115.26 116.62 3h0c n ASN 51 Ca 0.15 -0.61 -0.08 0.00 0.45 0.00 0.00 54.58 54.49 3h0c n ASN 51 Cb 0.55 -5.06 0.00 0.00 1.23 0.00 0.00 39.78 36.50 3h0c n ASN 51 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 3h0c h THR 52 N -1.93 1.18 -3.63 -0.44 2.02 -1.53 -3.40 112.91 105.19 3h0c h THR 52 Ca -0.58 -0.52 -0.70 0.00 0.77 0.00 0.00 66.41 65.39 3h0c h THR 52 Cb 1.34 0.69 -0.27 0.00 -1.74 0.00 0.00 68.15 68.17 3h0c h THR 52 CO 0.50 0.20 -0.58 -0.31 0.37 0.00 0.00 175.52 175.70 3h0c s TYR 53 N -5.71 3.23 -0.14 3.16 2.02 -1.26 -5.08 117.35 113.57 3h0c s TYR 53 Ca -0.13 -1.17 -0.04 0.00 -0.37 0.00 0.00 57.07 55.36 3h0c s TYR 53 Cb 0.11 -2.32 -0.03 0.00 -0.40 0.00 0.00 41.96 39.32 3h0c s TYR 53 CO 0.75 -0.67 -0.02 0.50 -1.57 0.00 0.00 175.55 174.55 3h0c s ARG 54 N 1.47 3.54 -0.15 -0.62 3.52 -1.26 -5.08 118.95 120.37 3h0c s ARG 54 Ca 0.00 -0.48 -0.29 0.00 -0.13 0.00 0.00 55.73 54.84 3h0c s ARG 54 Cb -0.19 -2.91 -0.01 0.00 -1.56 0.00 0.00 34.95 30.27 3h0c s ARG 54 CO 0.04 0.36 1.19 -0.51 -0.81 0.00 0.00 175.30 175.57 3h0c s LEU 55 N 0.06 4.19 0.18 -0.88 1.43 -1.26 -4.78 118.68 117.62 3h0c s LEU 55 Ca 0.01 1.66 -0.27 0.00 -1.03 0.00 0.00 54.13 54.49 3h0c s LEU 55 Cb -0.13 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.46 3h0c s LEU 55 CO 0.02 -0.68 0.85 -0.54 0.23 0.00 0.00 176.35 176.24 3h0c s LYS 56 N 3.03 4.68 0.36 1.70 1.02 -1.26 -5.07 119.74 124.21 3h0c s LYS 56 Ca 0.53 1.30 0.08 0.00 0.02 0.00 0.00 55.97 57.90 3h0c s LYS 56 Cb -0.21 -3.29 -0.05 0.00 -0.52 0.00 0.00 37.83 33.76 3h0c s LYS 56 CO 0.15 0.50 0.09 -0.51 -0.92 0.00 0.00 175.35 174.66 3h0c s LEU 57 N -0.97 3.09 -0.45 3.17 1.43 -1.26 -4.89 118.68 118.80 3h0c s LEU 57 Ca 0.39 -0.98 0.05 0.00 -1.03 0.00 0.00 54.13 52.56 3h0c s LEU 57 Cb -0.24 -1.46 0.18 0.00 0.03 0.00 0.00 46.19 44.71 3h0c s LEU 57 CO 0.28 -0.35 0.39 0.00 0.23 0.00 0.00 176.35 176.91 3h0c n TYR 58 N -1.09 -0.21 -2.64 0.29 4.19 -1.26 -4.99 117.16 111.45 3h0c n TYR 58 Ca -0.03 -3.49 -0.43 0.00 3.31 0.00 0.00 57.90 57.27 3h0c n TYR 58 Cb 0.63 0.05 -0.02 0.00 0.49 0.00 0.00 39.34 40.49 3h0c n TYR 58 CO 0.00 0.00 0.00 -1.12 0.91 0.00 0.00 176.86 176.65 3h0c s SER 59 N -0.36 7.12 0.18 2.98 0.01 -1.26 -5.04 113.70 117.33 3h0c s SER 59 Ca 0.32 1.46 0.07 0.00 1.31 0.00 0.00 55.95 59.11 3h0c s SER 59 Cb 0.05 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 3h0c s SER 59 CO -0.18 -0.62 -0.14 -1.48 0.41 0.00 0.00 173.24 171.24 3h0c s LEU 60 N 2.87 2.52 -0.25 2.44 2.34 -1.26 -4.56 118.68 122.78 3h0c s LEU 60 Ca 0.46 -0.97 -0.01 0.00 0.06 0.00 0.00 54.13 53.67 3h0c s LEU 60 Cb -0.17 -0.60 0.07 0.00 -0.56 0.00 0.00 46.19 44.93 3h0c s LEU 60 CO 0.10 -0.19 0.04 -0.13 -1.06 0.00 0.00 176.35 175.12 3h0c s ARG 61 N -3.45 0.90 0.15 1.48 0.52 -0.80 -4.97 118.95 112.79 3h0c s ARG 61 Ca 0.19 -0.81 -0.31 0.00 -0.52 0.00 0.00 55.73 54.28 3h0c s ARG 61 Cb -0.01 -2.19 -0.11 0.00 0.52 0.00 0.00 34.95 33.16 3h0c s ARG 61 CO 0.05 -0.76 1.75 -1.58 0.02 0.00 0.00 175.30 174.78 3h0c s TRP 62 N 1.65 2.51 -0.19 -0.53 0.52 -1.26 -0.08 118.94 121.57 3h0c s TRP 62 Ca 0.02 0.19 0.11 0.00 0.02 0.00 0.00 56.10 56.44 3h0c s TRP 62 Cb -0.18 -4.13 -0.15 0.00 -1.15 0.00 0.00 33.47 27.87 3h0c s TRP 62 CO -0.14 -4.46 0.31 0.44 0.02 0.00 0.00 176.95 173.12 3h0c n ILE 63 N 4.41 0.00 -3.02 2.03 -5.35 -0.53 -4.91 119.36 111.98 3h0c n ILE 63 Ca 0.17 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 3h0c n ILE 63 Cb 0.37 0.52 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 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 -1.65 0.00 -0.05 7.28 3.41 -1.17 -4.98 113.62 116.45 3h0c n SER 64 Ca -0.01 -0.15 0.13 0.00 -0.26 0.00 0.00 58.87 58.59 3h0c n SER 64 Cb 0.24 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 64.70 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 -0.42 0.36 0.00 4.04 5.75 -1.26 -2.13 116.55 122.89 3h0c n ASP 65 Ca 0.00 -0.19 0.00 0.00 -0.01 0.00 0.00 54.79 54.59 3h0c n ASP 65 Cb 0.00 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 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 -1.25 0.00 -4.16 2.11 1.44 -1.26 -4.45 115.22 107.64 3h0c n HIS 66 Ca 0.10 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.64 3h0c n HIS 66 Cb 0.31 0.02 -0.12 0.00 0.12 0.00 0.00 29.99 30.33 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 0.00 0.80 0.05 -1.40 2.02 -1.26 -1.08 118.70 117.83 3h0c s GLU 67 Ca 0.00 -0.98 0.00 0.00 0.02 0.00 0.00 54.97 54.01 3h0c s GLU 67 Cb 0.00 -0.70 -0.03 0.00 0.10 0.00 0.00 34.13 33.50 3h0c s GLU 67 CO 0.00 0.14 -0.04 1.52 0.02 0.00 0.00 175.26 176.90 3h0c s TYR 68 N -1.57 0.54 0.37 1.61 -0.85 -0.92 -1.46 117.35 115.07 3h0c s TYR 68 Ca -0.01 -0.80 -0.05 0.00 -0.52 0.00 0.00 57.07 55.70 3h0c s TYR 68 Cb -0.08 -0.36 -0.05 0.00 0.38 0.00 0.00 41.96 41.85 3h0c s TYR 68 CO 0.02 -0.24 0.64 -0.51 -1.52 0.00 0.00 175.55 173.94 3h0c s LEU 69 N -2.32 3.90 -0.28 -3.49 1.43 0.88 -0.21 118.68 118.60 3h0c s LEU 69 Ca -0.01 0.77 -0.22 0.00 -1.03 0.00 0.00 54.13 53.64 3h0c s LEU 69 Cb -0.00 -3.64 0.09 0.00 0.03 0.00 0.00 46.19 42.66 3h0c s LEU 69 CO -0.05 -0.35 0.80 -0.47 0.23 0.00 0.00 176.35 176.51 3h0c s TYR 70 N -2.35 -0.78 -0.53 0.29 5.04 0.23 -1.91 117.35 117.34 3h0c s TYR 70 Ca 0.45 1.76 -0.21 0.00 -2.44 0.00 0.00 57.07 56.64 3h0c s TYR 70 Cb -0.10 0.39 0.06 0.00 0.35 0.00 0.00 41.96 42.65 3h0c s TYR 70 CO 0.35 -0.38 0.74 0.21 -1.34 0.00 0.00 175.55 175.13 3h0c s LYS 71 N 0.75 3.18 -0.36 4.97 2.20 -1.26 -0.11 119.74 129.11 3h0c s LYS 71 Ca -0.03 -0.71 -0.06 0.00 -0.36 0.00 0.00 55.97 54.81 3h0c s LYS 71 Cb -0.05 -4.10 0.05 0.00 -1.51 0.00 0.00 37.83 32.23 3h0c s LYS 71 CO -0.07 -1.34 0.13 -1.14 -0.36 0.00 0.00 175.35 172.58 3h0c s GLN 72 N 3.09 2.55 -1.25 4.03 0.74 -0.22 -4.69 119.66 123.92 3h0c s GLN 72 Ca 0.20 -1.29 -0.02 0.00 0.05 0.00 0.00 55.36 54.30 3h0c s GLN 72 Cb -0.17 -3.51 -0.01 0.00 1.10 0.00 0.00 33.01 30.42 3h0c s GLN 72 CO 0.14 -0.75 0.79 0.39 -0.55 0.00 0.00 175.29 175.31 3h0c n GLU 73 N 4.80 -4.80 -1.04 1.67 1.02 -1.26 -2.09 120.64 118.95 3h0c n GLU 73 Ca -0.11 0.68 -0.01 0.00 -0.02 0.00 0.00 57.16 57.70 3h0c n GLU 73 Cb 0.44 -5.31 -0.01 0.00 -0.02 0.00 0.00 31.44 26.54 3h0c n GLU 73 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3h0c n ASN 74 N -3.06 -5.96 -4.69 1.62 5.15 -1.26 -4.84 115.26 102.23 3h0c n ASN 74 Ca -0.26 0.03 -0.35 0.00 -0.60 0.00 0.00 54.58 53.40 3h0c n ASN 74 Cb 0.67 -3.57 -0.09 0.00 -0.53 0.00 0.00 39.78 36.25 3h0c n ASN 74 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3h0c s ASN 75 N -2.05 5.78 -0.20 1.20 0.01 -0.89 -3.85 114.94 114.94 3h0c s ASN 75 Ca 0.00 0.16 -0.25 0.00 -0.71 0.00 0.00 52.86 52.06 3h0c s ASN 75 Cb 0.00 -1.95 -0.01 0.00 0.41 0.00 0.00 41.25 39.70 3h0c s ASN 75 CO 0.00 0.23 0.85 -0.63 -1.51 0.00 0.00 177.10 176.03 3h0c s ILE 76 N 0.06 4.85 0.13 0.60 1.01 -0.74 -1.05 121.20 126.06 3h0c s ILE 76 Ca 0.06 1.64 0.09 0.00 0.00 0.00 0.00 60.65 62.45 3h0c s ILE 76 Cb -0.12 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 3h0c s ILE 76 CO 0.00 -0.02 -0.18 -0.76 0.00 0.00 0.00 174.94 173.99 3h0c s LEU 77 N 2.43 2.70 -0.15 2.97 1.43 0.84 -0.03 118.68 128.87 3h0c s LEU 77 Ca 0.38 -0.58 -0.07 0.00 -1.03 0.00 0.00 54.13 52.82 3h0c s LEU 77 Cb -0.16 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 3h0c s LEU 77 CO 0.10 0.17 0.09 -0.69 0.23 0.00 0.00 176.35 176.25 3h0c s VAL 78 N -1.23 5.08 -0.04 -1.59 1.01 -0.44 -0.60 120.40 122.58 3h0c s VAL 78 Ca 0.19 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.28 3h0c s VAL 78 Cb -0.10 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 3h0c s VAL 78 CO 0.10 0.54 -0.18 -0.36 0.00 0.00 0.00 175.10 175.20 3h0c s PHE 79 N -0.34 2.58 -0.16 5.22 0.40 0.71 -1.59 117.98 124.79 3h0c s PHE 79 Ca 0.10 -0.27 -0.24 0.00 -0.60 0.00 0.00 56.93 55.92 3h0c s PHE 79 Cb -0.12 -1.59 -0.02 0.00 0.51 0.00 0.00 43.02 41.80 3h0c s PHE 79 CO 0.01 0.10 0.77 1.21 0.70 0.00 0.00 175.22 178.01 3h0c s ASN 80 N -0.66 6.90 0.00 1.36 3.84 -0.43 -2.17 114.94 123.79 3h0c s ASN 80 Ca 0.10 1.10 -0.25 0.00 0.21 0.00 0.00 52.86 54.02 3h0c s ASN 80 Cb -0.11 -2.42 -0.19 0.00 -0.55 0.00 0.00 41.25 37.98 3h0c s ASN 80 CO 0.00 -0.33 1.35 0.00 -2.79 0.00 0.00 177.10 175.33 3h0c h ALA 81 N 7.30 0.02 -0.59 1.71 0.00 -1.43 -1.28 119.26 124.98 3h0c h ALA 81 Ca -0.31 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 3h0c h ALA 81 Cb 1.14 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3h0c h ALA 81 CO 0.81 -0.26 0.12 1.49 0.00 0.00 0.00 179.25 181.41 3h0c h GLU 82 N -0.37 0.96 0.00 0.00 4.57 -1.95 -3.34 114.58 114.46 3h0c h GLU 82 Ca 0.00 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 3h0c h GLU 82 Cb 0.42 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 3h0c h GLU 82 CO 0.00 0.90 -1.19 0.66 -1.18 0.00 0.00 179.01 178.20 3h0c n TYR 83 N -4.34 0.00 -0.58 0.92 4.01 -1.25 -5.03 117.16 110.90 3h0c n TYR 83 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 3h0c n TYR 83 Cb 0.26 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 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 1.61 1.07 3.78 2.72 0.00 -0.48 -5.05 105.19 108.83 3h0c n GLY 84 Ca -0.01 0.00 -0.31 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 -3.07 4.55 0.06 1.61 4.22 -1.26 -4.76 114.94 116.29 3h0c s ASN 85 Ca 0.00 1.61 -0.02 0.00 -2.14 0.00 0.00 52.86 52.31 3h0c s ASN 85 Cb 0.00 -2.36 -0.04 0.00 1.28 0.00 0.00 41.25 40.13 3h0c s ASN 85 CO 0.00 -1.97 -0.00 -0.94 -2.04 0.00 0.00 177.10 172.14 3h0c s SER 86 N -3.60 0.44 0.05 3.54 1.04 -1.26 -1.31 113.70 112.60 3h0c s SER 86 Ca 0.61 -0.96 0.03 0.00 0.48 0.00 0.00 55.95 56.11 3h0c s SER 86 Cb -0.16 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 3h0c s SER 86 CO 0.56 -0.62 -0.10 -0.44 0.98 0.00 0.00 173.24 173.62 3h0c s SER 87 N -2.91 1.16 -0.34 7.02 0.01 -0.62 -5.00 113.70 113.02 3h0c s SER 87 Ca 0.07 -0.56 -0.27 0.00 1.31 0.00 0.00 55.95 56.50 3h0c s SER 87 Cb 0.08 -0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.32 3h0c s SER 87 CO -0.10 -0.15 0.96 0.54 0.41 0.00 0.00 173.24 174.91 3h0c s VAL 88 N -1.29 4.59 0.02 3.43 0.11 -1.26 -1.33 120.40 124.66 3h0c s VAL 88 Ca -0.07 1.41 -0.17 0.00 -2.93 0.00 0.00 61.98 60.22 3h0c s VAL 88 Cb -0.10 -4.33 -0.33 0.00 -1.53 0.00 0.00 36.38 30.09 3h0c s VAL 88 CO 0.01 -0.47 1.00 0.15 -3.33 0.00 0.00 175.10 172.47 3h0c h PHE 89 N 8.27 0.89 -2.39 1.54 3.57 -0.78 -3.47 116.94 124.56 3h0c h PHE 89 Ca -0.22 -0.62 -0.05 0.00 3.53 0.00 0.00 57.97 60.60 3h0c h PHE 89 Cb 1.07 -0.05 -0.25 0.00 2.79 0.00 0.00 35.95 39.52 3h0c h PHE 89 CO 0.82 1.47 -0.27 -1.17 -2.23 0.00 0.00 178.31 176.93 3h0c s LEU 90 N -7.76 -0.67 0.58 0.59 2.96 -1.03 -5.01 118.68 108.34 3h0c s LEU 90 Ca -0.10 1.14 -0.16 0.00 -0.22 0.00 0.00 54.13 54.78 3h0c s LEU 90 Cb 0.04 1.63 -0.04 0.00 0.50 0.00 0.00 46.19 48.32 3h0c s LEU 90 CO 0.91 -0.22 1.06 -1.61 -1.32 0.00 0.00 176.35 175.17 3h0c s GLU 91 N 2.37 3.33 0.35 1.98 2.02 -1.26 -1.79 118.70 125.69 3h0c s GLU 91 Ca -0.05 1.26 0.08 0.00 0.02 0.00 0.00 54.97 56.29 3h0c s GLU 91 Cb -0.11 -2.03 0.64 0.00 0.10 0.00 0.00 34.13 32.73 3h0c s GLU 91 CO -0.15 -0.81 1.82 -2.95 0.02 0.00 0.00 175.26 173.20 3h0c h ASN 92 N 0.57 0.22 0.34 -0.19 -1.07 -1.89 -3.14 115.58 110.43 3h0c h ASN 92 Ca -0.47 -0.07 -0.11 0.00 0.07 0.00 0.00 56.30 55.72 3h0c h ASN 92 Cb 1.22 -0.06 -0.01 0.00 -2.07 0.00 0.00 38.32 37.40 3h0c h ASN 92 CO 0.57 0.49 -0.45 0.77 0.07 0.00 0.00 177.43 178.88 3h0c h SER 93 N 0.21 0.14 -3.58 6.14 4.64 -1.93 -3.44 113.55 115.73 3h0c h SER 93 Ca 0.03 -0.06 -0.52 0.00 -0.47 0.00 0.00 61.79 60.77 3h0c h SER 93 Cb 0.57 -0.04 0.05 0.00 -0.31 0.00 0.00 62.40 62.67 3h0c h SER 93 CO 0.04 0.58 0.66 0.42 -0.87 0.00 0.00 176.83 177.66 3h0c s THR 94 N -4.03 2.92 -0.14 2.95 -4.23 -1.19 -2.32 115.64 109.59 3h0c s THR 94 Ca -0.03 0.82 0.00 0.00 -1.18 0.00 0.00 61.69 61.30 3h0c s THR 94 Cb 0.13 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 70.45 3h0c s THR 94 CO 0.76 0.15 0.00 0.49 -0.54 0.00 0.00 174.62 175.48 3h0c n PHE 95 N 1.85 -0.08 0.08 3.99 3.72 -1.26 -4.94 117.46 120.82 3h0c n PHE 95 Ca 0.04 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.32 3h0c n PHE 95 Cb 0.42 -1.23 -0.05 0.00 -0.94 0.00 0.00 39.48 37.68 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 0.00 0.37 -1.44 4.37 3.32 -1.75 -3.33 116.42 117.96 3h0c h ASP 96 Ca -0.04 -0.32 -0.67 0.00 0.02 0.00 0.00 57.03 56.02 3h0c h ASP 96 Cb 1.03 -0.11 -0.33 0.00 0.22 0.00 0.00 39.33 40.13 3h0c h ASP 96 CO 0.05 1.14 0.36 -0.62 -1.72 0.00 0.00 179.24 178.44 3h0c n GLU 97 N -3.65 3.01 -0.00 3.56 4.71 -1.26 -4.69 120.64 122.31 3h0c n GLU 97 Ca -0.05 -3.76 -0.08 0.00 -0.01 0.00 0.00 57.16 53.25 3h0c n GLU 97 Cb 0.86 -2.27 -0.13 0.00 -1.01 0.00 0.00 31.44 28.88 3h0c n GLU 97 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 3h0c h PHE 98 N 2.52 0.00 0.00 -0.32 3.57 -1.99 -3.48 116.94 117.24 3h0c h PHE 98 Ca 0.49 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.99 3h0c h PHE 98 Cb 0.65 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.39 3h0c h PHE 98 CO 1.12 0.99 0.00 0.41 -2.23 0.00 0.00 178.31 178.60 3h0c n GLY 99 N 1.50 2.78 3.13 2.40 0.00 -1.26 -5.02 105.19 108.71 3h0c n GLY 99 Ca -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.41 1.11 -0.02 1.61 3.76 -1.26 -5.12 115.29 112.95 3h0c s HIS 100 Ca 0.00 -0.39 -0.30 0.00 -0.15 0.00 0.00 55.06 54.22 3h0c s HIS 100 Cb 0.00 -0.65 -0.05 0.00 1.11 0.00 0.00 32.58 33.00 3h0c s HIS 100 CO 0.00 0.02 1.29 -1.12 -0.85 0.00 0.00 174.74 174.08 3h0c s SER 101 N -1.34 6.96 -0.26 1.40 0.01 -1.26 -5.00 113.70 114.22 3h0c s SER 101 Ca -0.01 1.97 -0.23 0.00 1.31 0.00 0.00 55.95 58.99 3h0c s SER 101 Cb -0.09 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 3h0c s SER 101 CO 0.01 -0.63 0.74 -0.63 0.41 0.00 0.00 173.24 173.14 3h0c s ILE 102 N 2.17 4.89 -0.08 1.44 1.09 -1.26 -4.54 121.20 124.91 3h0c s ILE 102 Ca 0.60 1.30 -0.17 0.00 -1.10 0.00 0.00 60.65 61.28 3h0c s ILE 102 Cb -0.28 -4.05 -0.29 0.00 -1.06 0.00 0.00 42.46 36.79 3h0c s ILE 102 CO 0.25 -0.07 0.66 -1.13 -0.10 0.00 0.00 174.94 174.55 3h0c h ASN 103 N 7.86 0.44 -5.38 3.58 -1.24 -1.18 -3.49 115.58 116.16 3h0c h ASN 103 Ca -0.25 -0.88 -0.14 0.00 0.71 0.00 0.00 56.30 55.74 3h0c h ASN 103 Cb 1.11 -0.14 -0.11 0.00 0.73 0.00 0.00 38.32 39.90 3h0c h ASN 103 CO 0.83 1.58 -0.30 -0.62 -1.29 0.00 0.00 177.43 177.64 3h0c s ASP 104 N -7.06 0.07 0.06 1.15 -1.08 -1.20 -5.01 116.67 103.59 3h0c s ASP 104 Ca -0.18 -1.13 -0.06 0.00 -0.52 0.00 0.00 52.55 50.66 3h0c s ASP 104 Cb 0.04 0.52 -0.01 0.00 -1.46 0.00 0.00 42.92 42.01 3h0c s ASP 104 CO 0.79 -1.05 0.12 -0.72 0.52 0.00 0.00 175.17 174.84 3h0c s TYR 105 N -4.00 0.24 -0.28 -5.34 -0.85 -1.26 -0.94 117.35 104.92 3h0c s TYR 105 Ca 0.29 -0.65 0.02 0.00 -0.52 0.00 0.00 57.07 56.21 3h0c s TYR 105 Cb 0.02 -0.15 0.17 0.00 0.38 0.00 0.00 41.96 42.38 3h0c s TYR 105 CO 0.11 -0.46 0.48 0.45 -1.52 0.00 0.00 175.55 174.61 3h0c s SER 106 N -2.66 -0.47 0.39 -0.18 0.15 -0.89 -4.95 113.70 105.09 3h0c s SER 106 Ca 0.02 0.05 -0.23 0.00 0.70 0.00 0.00 55.95 56.50 3h0c s SER 106 Cb 0.04 1.53 -0.10 0.00 -1.71 0.00 0.00 66.02 65.77 3h0c s SER 106 CO -0.09 -0.32 0.95 -0.63 1.20 0.00 0.00 173.24 174.36 3h0c s ILE 107 N 2.67 4.28 0.56 6.45 1.01 -1.26 -0.98 121.20 133.93 3h0c s ILE 107 Ca 0.12 1.61 -0.19 0.00 0.00 0.00 0.00 60.65 62.19 3h0c s ILE 107 Cb -0.13 -3.77 -0.06 0.00 0.01 0.00 0.00 42.46 38.52 3h0c s ILE 107 CO -0.25 -0.12 0.93 -1.20 0.00 0.00 0.00 174.94 174.29 3h0c n SER 108 N -0.14 0.69 0.19 3.58 7.64 0.99 -4.92 113.62 121.64 3h0c n SER 108 Ca 0.05 0.84 0.12 0.00 1.01 0.00 0.00 58.87 60.89 3h0c n SER 108 Cb 0.52 -1.36 0.68 0.00 -1.01 0.00 0.00 64.21 63.04 3h0c n SER 108 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3h0c h PRO 109 N 0.67 0.00 -0.21 1.43 0.11 -1.83 -2.39 132.00 129.78 3h0c h PRO 109 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3h0c h PRO 109 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 3h0c h PRO 109 CO 0.52 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.91 3h0c n ASP 110 N -4.41 1.95 -1.12 -2.05 5.68 -1.24 -4.86 116.55 110.50 3h0c n ASP 110 Ca 0.01 -1.77 -0.13 0.00 -0.50 0.00 0.00 54.79 52.39 3h0c n ASP 110 Cb 0.24 -0.13 -0.05 0.00 -1.14 0.00 0.00 41.12 40.04 3h0c n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h0c n GLY 111 N 1.18 1.06 0.07 6.12 0.00 -0.90 -4.91 105.19 107.81 3h0c n GLY 111 Ca 0.16 -0.39 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 3h0c n GLY 111 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h0c n GLN 112 N -2.54 0.67 -4.09 1.61 6.02 -1.26 -4.93 117.38 112.87 3h0c n GLN 112 Ca -0.14 -0.02 -0.14 0.00 -0.01 0.00 0.00 57.00 56.70 3h0c n GLN 112 Cb 0.48 -1.57 -0.12 0.00 1.02 0.00 0.00 30.24 30.05 3h0c n GLN 112 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3h0c s PHE 113 N -2.82 0.60 -0.07 1.08 0.08 -1.26 -1.90 117.98 113.70 3h0c s PHE 113 Ca -0.08 -0.38 0.05 0.00 0.12 0.00 0.00 56.93 56.63 3h0c s PHE 113 Cb 0.09 -0.37 -0.00 0.00 -0.57 0.00 0.00 43.02 42.16 3h0c s PHE 113 CO 0.85 -0.06 -0.22 -1.50 -0.10 0.00 0.00 175.22 174.19 3h0c s ILE 114 N -1.03 1.82 0.02 0.64 2.07 -1.08 -0.01 121.20 123.64 3h0c s ILE 114 Ca -0.07 -0.91 -0.24 0.00 -1.41 0.00 0.00 60.65 58.02 3h0c s ILE 114 Cb -0.08 -1.57 -0.05 0.00 0.13 0.00 0.00 42.46 40.89 3h0c s ILE 114 CO 0.00 0.51 0.74 -0.76 -1.91 0.00 0.00 174.94 173.52 3h0c s LEU 115 N 0.15 4.43 -0.23 8.50 1.43 -0.16 -1.96 118.68 130.84 3h0c s LEU 115 Ca -0.10 1.38 -0.04 0.00 -1.03 0.00 0.00 54.13 54.34 3h0c s LEU 115 Cb -0.15 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 42.89 3h0c s LEU 115 CO 0.05 0.00 -0.04 -0.76 0.23 0.00 0.00 176.35 175.84 3h0c s LEU 116 N 0.06 3.03 -0.20 1.79 1.43 -0.41 -2.09 118.68 122.29 3h0c s LEU 116 Ca 0.38 -0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 52.77 3h0c s LEU 116 Cb -0.20 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 3h0c s LEU 116 CO 0.22 -0.06 0.47 -0.70 0.23 0.00 0.00 176.35 176.51 3h0c s GLU 117 N 1.45 4.19 0.28 1.70 2.12 -0.11 -2.42 118.70 125.90 3h0c s GLU 117 Ca 0.04 0.33 -0.05 0.00 0.36 0.00 0.00 54.97 55.66 3h0c s GLU 117 Cb -0.15 -3.55 -0.01 0.00 0.26 0.00 0.00 34.13 30.68 3h0c s GLU 117 CO -0.03 -0.10 0.37 1.52 -0.54 0.00 0.00 175.26 176.48 3h0c s TYR 118 N 1.49 0.92 -1.47 5.30 1.13 -0.65 -0.51 117.35 123.57 3h0c s TYR 118 Ca 0.22 -1.17 -0.12 0.00 -1.41 0.00 0.00 57.07 54.60 3h0c s TYR 118 Cb -0.15 -0.17 0.05 0.00 -1.10 0.00 0.00 41.96 40.60 3h0c s TYR 118 CO 0.09 -0.95 1.04 0.09 -2.51 0.00 0.00 175.55 173.31 3h0c n ASN 119 N -0.82 -5.47 -4.71 -0.18 3.02 -1.26 0.16 115.26 106.01 3h0c n ASN 119 Ca 0.01 -0.66 -0.42 0.00 -0.03 0.00 0.00 54.58 53.48 3h0c n ASN 119 Cb 0.63 -4.34 -0.03 0.00 -0.61 0.00 0.00 39.78 35.43 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 -3.29 2.86 -0.17 3.10 6.14 -1.26 -4.33 117.35 120.41 3h0c s TYR 120 Ca 0.62 0.55 -0.04 0.00 0.64 0.00 0.00 57.07 58.85 3h0c s TYR 120 Cb -0.30 -3.92 0.06 0.00 0.42 0.00 0.00 41.96 38.22 3h0c s TYR 120 CO 0.77 -3.49 0.05 0.08 0.64 0.00 0.00 175.55 173.60 3h0c s VAL 121 N 1.64 0.25 0.23 3.14 1.01 -0.29 -5.02 120.40 121.37 3h0c s VAL 121 Ca 0.71 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 62.08 3h0c s VAL 121 Cb -0.42 -0.78 -0.09 0.00 0.00 0.00 0.00 36.38 35.09 3h0c s VAL 121 CO 0.31 -0.18 1.33 -0.75 0.00 0.00 0.00 175.10 175.81 3h0c s LYS 122 N 1.99 4.37 0.00 2.72 2.20 -1.26 -1.49 119.74 128.27 3h0c s LYS 122 Ca 0.01 2.12 0.00 0.00 -0.36 0.00 0.00 55.97 57.74 3h0c s LYS 122 Cb -0.16 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 3h0c s LYS 122 CO -0.08 -0.26 0.00 0.94 -0.36 0.00 0.00 175.35 175.60 3h0c n GLN 123 N 2.22 0.00 0.00 4.03 7.27 -0.40 -4.91 117.38 125.59 3h0c n GLN 123 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.12 3h0c n GLN 123 Cb 0.42 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.07 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 -0.02 3.69 5.03 -1.20 -4.91 117.44 120.03 3h0c n TRP 124 Ca 0.00 0.00 -0.09 0.00 3.03 0.00 0.00 57.50 60.44 3h0c n TRP 124 Cb 0.00 0.00 -0.02 0.00 -1.03 0.00 0.00 31.31 30.26 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 -0.20 0.00 -0.99 2.43 -1.99 -3.31 114.38 110.32 3h0c h ARG 125 Ca 0.00 0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.03 3h0c h ARG 125 Cb 0.00 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 3h0c h ARG 125 CO 0.00 -0.13 -1.83 0.72 -1.51 0.00 0.00 179.97 177.22 3h0c n HIS 126 N -5.33 0.00 -2.37 2.20 8.25 -1.26 -5.03 115.22 111.68 3h0c n HIS 126 Ca -0.02 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.06 3h0c n HIS 126 Cb 0.24 -0.54 -0.03 0.00 1.12 0.00 0.00 29.99 30.79 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 -4.29 6.61 0.11 0.41 1.04 -1.25 -4.60 113.70 111.73 3h0c s SER 127 Ca -0.06 2.26 -0.25 0.00 0.48 0.00 0.00 55.95 58.38 3h0c s SER 127 Cb 0.06 -2.61 0.08 0.00 0.10 0.00 0.00 66.02 63.65 3h0c s SER 127 CO 0.57 -0.61 0.72 -0.72 0.98 0.00 0.00 173.24 174.19 3h0c s TYR 128 N -1.47 -0.43 0.03 5.02 -0.85 -1.26 -1.27 117.35 117.13 3h0c s TYR 128 Ca 0.57 0.23 0.08 0.00 -0.52 0.00 0.00 57.07 57.42 3h0c s TYR 128 Cb -0.28 0.57 -0.03 0.00 0.38 0.00 0.00 41.96 42.59 3h0c s TYR 128 CO 0.36 -0.77 -0.23 0.99 -1.52 0.00 0.00 175.55 174.38 3h0c s THR 129 N -3.52 2.43 0.23 -3.49 2.01 -0.55 -4.63 115.64 108.12 3h0c s THR 129 Ca 0.04 -1.26 -0.22 0.00 0.31 0.00 0.00 61.69 60.56 3h0c s THR 129 Cb -0.01 -1.97 0.04 0.00 0.01 0.00 0.00 72.50 70.57 3h0c s THR 129 CO -0.10 0.38 0.69 0.00 -0.69 0.00 0.00 174.62 174.91 3h0c s ALA 130 N -0.83 -1.37 0.16 7.40 0.00 -0.96 -1.14 121.76 125.03 3h0c s ALA 130 Ca 0.13 -0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.10 3h0c s ALA 130 Cb -0.10 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 3h0c s ALA 130 CO 0.03 -0.95 0.25 -1.12 0.00 0.00 0.00 175.76 173.97 3h0c s SER 131 N -2.86 6.12 -0.01 0.00 0.01 0.12 -1.55 113.70 115.54 3h0c s SER 131 Ca 0.08 0.08 -0.00 0.00 1.31 0.00 0.00 55.95 57.41 3h0c s SER 131 Cb -0.04 -1.78 0.01 0.00 0.21 0.00 0.00 66.02 64.42 3h0c s SER 131 CO 0.00 0.04 0.01 -0.31 0.41 0.00 0.00 173.24 173.40 3h0c s TYR 132 N -1.78 0.01 -0.05 2.43 2.02 -1.26 -1.64 117.35 117.09 3h0c s TYR 132 Ca 0.34 0.06 0.04 0.00 -0.37 0.00 0.00 57.07 57.14 3h0c s TYR 132 Cb -0.11 -0.11 -0.00 0.00 -0.40 0.00 0.00 41.96 41.34 3h0c s TYR 132 CO 0.27 -0.04 -0.19 -0.51 -1.57 0.00 0.00 175.55 173.51 3h0c s ASP 133 N 0.50 2.39 -0.06 2.29 1.01 -1.01 -4.42 116.67 117.36 3h0c s ASP 133 Ca -0.04 -0.40 -0.13 0.00 0.71 0.00 0.00 52.55 52.70 3h0c s ASP 133 Cb -0.06 -0.73 -0.05 0.00 1.01 0.00 0.00 42.92 43.09 3h0c s ASP 133 CO -0.01 0.16 0.32 -0.63 0.21 0.00 0.00 175.17 175.22 3h0c s ILE 134 N 0.07 5.20 -0.27 0.77 1.01 -1.26 -1.29 121.20 125.42 3h0c s ILE 134 Ca -0.06 0.63 0.01 0.00 0.00 0.00 0.00 60.65 61.24 3h0c s ILE 134 Cb -0.13 -3.62 0.06 0.00 0.01 0.00 0.00 42.46 38.78 3h0c s ILE 134 CO 0.03 0.56 -0.07 -0.47 0.00 0.00 0.00 174.94 174.99 3h0c s TYR 135 N -0.80 3.26 0.04 3.97 6.14 -0.83 -1.87 117.35 127.26 3h0c s TYR 135 Ca 0.20 -2.14 -0.31 0.00 0.64 0.00 0.00 57.07 55.47 3h0c s TYR 135 Cb -0.15 -2.00 -0.06 0.00 0.42 0.00 0.00 41.96 40.18 3h0c s TYR 135 CO 0.09 -0.85 1.32 0.34 0.64 0.00 0.00 175.55 177.09 3h0c s ASP 136 N 1.16 6.93 -0.10 4.32 -1.08 -0.94 -2.63 116.67 124.33 3h0c s ASP 136 Ca -0.07 2.11 -0.19 0.00 -0.52 0.00 0.00 52.55 53.88 3h0c s ASP 136 Cb -0.20 -2.57 -0.28 0.00 -1.46 0.00 0.00 42.92 38.41 3h0c s ASP 136 CO -0.04 -0.61 0.63 -0.07 0.52 0.00 0.00 175.17 175.60 3h0c h LEU 137 N 7.47 0.35 -1.57 -1.34 3.38 -1.69 -2.40 115.31 119.51 3h0c h LEU 137 Ca -0.40 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 56.71 3h0c h LEU 137 Cb 1.20 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3h0c h LEU 137 CO 0.86 1.51 0.00 0.78 0.09 0.00 0.00 178.44 181.68 3h0c h ASN 138 N -0.42 0.00 0.00 -0.43 2.35 -1.93 -2.47 115.58 112.68 3h0c h ASN 138 Ca -0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 3h0c h ASN 138 Cb 1.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.02 3h0c h ASN 138 CO 0.06 0.00 -1.26 0.29 -1.65 0.00 0.00 177.43 174.87 3h0c n LYS 139 N -2.90 0.44 -4.13 0.81 5.02 -1.25 -5.01 118.16 111.14 3h0c n LYS 139 Ca 0.00 -0.06 -0.33 0.00 -2.02 0.00 0.00 58.31 55.91 3h0c n LYS 139 Cb 0.24 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 33.74 3h0c n LYS 139 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3h0c n ARG 140 N -1.70 -1.42 -3.66 1.97 1.74 -0.92 -4.99 116.66 107.68 3h0c n ARG 140 Ca 0.01 0.19 -0.15 0.00 -0.77 0.00 0.00 57.85 57.14 3h0c n ARG 140 Cb 0.38 -3.65 -0.08 0.00 -1.02 0.00 0.00 32.46 28.10 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 -7.09 0.75 0.14 5.56 -2.07 -1.13 -5.04 119.66 110.78 3h0c s GLN 141 Ca 0.13 0.47 -0.31 0.00 -1.82 0.00 0.00 55.36 53.84 3h0c s GLN 141 Cb -0.07 0.36 -0.08 0.00 -1.09 0.00 0.00 33.01 32.13 3h0c s GLN 141 CO 0.96 -0.16 1.33 -0.51 -1.32 0.00 0.00 175.29 175.59 3h0c s LEU 142 N -0.37 4.39 0.15 2.60 1.43 -1.26 -2.21 118.68 123.41 3h0c s LEU 142 Ca -0.05 2.31 -0.31 0.00 -1.03 0.00 0.00 54.13 55.04 3h0c s LEU 142 Cb -0.03 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.50 3h0c s LEU 142 CO 0.04 -0.57 1.52 0.27 0.23 0.00 0.00 176.35 177.83 3h0c s ILE 143 N 0.71 2.82 -0.35 -0.59 -5.25 -0.78 -4.91 121.20 112.84 3h0c s ILE 143 Ca 0.61 0.58 0.18 0.00 -0.99 0.00 0.00 60.65 61.03 3h0c s ILE 143 Cb -0.36 -3.37 -0.25 0.00 2.95 0.00 0.00 42.46 41.43 3h0c s ILE 143 CO 0.33 0.04 0.54 1.07 -1.79 0.00 0.00 174.94 175.14 3h0c n THR 144 N 3.99 0.00 -4.53 8.37 5.66 -1.26 -4.65 114.28 121.86 3h0c n THR 144 Ca 0.13 -0.28 -0.25 0.00 -3.05 0.00 0.00 64.05 60.60 3h0c n THR 144 Cb 0.40 0.45 -0.10 0.00 -1.55 0.00 0.00 70.33 69.52 3h0c n THR 144 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 3h0c s GLU 145 N -3.03 1.81 -1.54 1.09 4.04 -1.26 -4.77 118.70 115.03 3h0c s GLU 145 Ca -0.01 -2.03 -0.06 0.00 0.04 0.00 0.00 54.97 52.90 3h0c s GLU 145 Cb 0.12 -1.10 0.05 0.00 0.02 0.00 0.00 34.13 33.23 3h0c s GLU 145 CO 0.75 -0.20 0.42 0.39 -1.84 0.00 0.00 175.26 174.79 3h0c n GLU 146 N -0.83 -2.60 -1.79 -4.83 -0.58 -1.26 -4.84 120.64 103.91 3h0c n GLU 146 Ca -0.05 0.31 -0.32 0.00 -0.42 0.00 0.00 57.16 56.68 3h0c n GLU 146 Cb 0.67 -4.47 0.04 0.00 -0.57 0.00 0.00 31.44 27.10 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 -6.87 2.99 0.12 3.49 0.52 -1.26 -4.82 118.95 113.11 3h0c s ARG 147 Ca 0.23 1.20 -0.31 0.00 -0.52 0.00 0.00 55.73 56.33 3h0c s ARG 147 Cb -0.13 -1.99 -0.08 0.00 0.52 0.00 0.00 34.95 33.27 3h0c s ARG 147 CO 0.93 -1.07 1.49 0.42 0.02 0.00 0.00 175.30 177.08 3h0c s ILE 148 N -2.59 3.08 0.89 1.52 1.01 -1.26 -4.99 121.20 118.87 3h0c s ILE 148 Ca 0.63 0.73 -0.11 0.00 0.00 0.00 0.00 60.65 61.90 3h0c s ILE 148 Cb -0.17 -3.47 0.13 0.00 0.01 0.00 0.00 42.46 38.96 3h0c s ILE 148 CO 0.44 0.04 1.11 -2.84 0.00 0.00 0.00 174.94 173.68 3h0c s PRO 149 N 1.44 1.25 0.87 2.79 0.02 -1.26 -4.45 135.00 135.66 3h0c s PRO 149 Ca 0.68 1.21 -0.11 0.00 0.02 0.00 0.00 61.00 62.79 3h0c s PRO 149 Cb -0.39 -1.78 0.11 0.00 0.02 0.00 0.00 34.50 32.46 3h0c s PRO 149 CO 0.30 -2.36 1.09 -0.80 -0.33 0.00 0.00 177.00 174.91 3h0c s ASN 150 N -3.03 3.69 -1.48 2.53 0.01 -1.26 -3.86 114.94 111.53 3h0c s ASN 150 Ca 0.64 1.54 -0.12 0.00 -0.71 0.00 0.00 52.86 54.22 3h0c s ASN 150 Cb -0.20 -2.23 0.06 0.00 0.41 0.00 0.00 41.25 39.29 3h0c s ASN 150 CO 0.58 -2.51 1.06 0.59 -1.51 0.00 0.00 177.10 175.30 3h0c n ASN 151 N -3.81 -5.40 -4.72 -1.22 3.02 -1.18 -4.96 115.26 96.99 3h0c n ASN 151 Ca 0.07 -0.69 -0.41 0.00 -0.03 0.00 0.00 54.58 53.52 3h0c n ASN 151 Cb 0.55 -4.28 -0.04 0.00 -0.61 0.00 0.00 39.78 35.40 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 -3.30 4.75 -0.04 3.41 2.01 -0.59 -4.47 115.64 117.41 3h0c s THR 152 Ca 0.64 1.89 -0.14 0.00 0.31 0.00 0.00 61.69 64.39 3h0c s THR 152 Cb -0.31 -4.24 -0.32 0.00 0.01 0.00 0.00 72.50 67.64 3h0c s THR 152 CO 0.79 0.26 0.75 1.56 -0.69 0.00 0.00 174.62 177.30 3h0c h GLN 153 N 6.18 0.40 -2.83 4.92 4.20 -0.41 -2.54 115.11 125.03 3h0c h GLN 153 Ca -0.42 -0.69 -0.13 0.00 0.06 0.00 0.00 58.65 57.48 3h0c h GLN 153 Cb 1.21 0.26 -0.23 0.00 0.30 0.00 0.00 27.48 29.01 3h0c h GLN 153 CO 0.73 1.33 -0.26 -0.46 -0.67 0.00 0.00 178.83 179.50 3h0c s TRP 154 N -2.55 -0.38 0.01 2.96 -0.11 -1.12 -4.64 118.94 113.10 3h0c s TRP 154 Ca -0.15 0.90 0.04 0.00 1.22 0.00 0.00 56.10 58.11 3h0c s TRP 154 Cb 0.04 0.14 -0.01 0.00 -1.50 0.00 0.00 33.47 32.14 3h0c s TRP 154 CO 0.86 -0.24 -0.12 0.08 -4.62 0.00 0.00 176.95 172.91 3h0c s VAL 155 N -0.09 0.92 -0.01 5.86 1.01 -1.26 -0.67 120.40 126.18 3h0c s VAL 155 Ca -0.03 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 3h0c s VAL 155 Cb -0.03 -0.80 -0.00 0.00 0.00 0.00 0.00 36.38 35.55 3h0c s VAL 155 CO 0.01 0.16 0.06 0.42 0.00 0.00 0.00 175.10 175.75 3h0c s THR 156 N -0.47 0.06 0.90 3.92 -4.23 -0.07 -5.01 115.64 110.74 3h0c s THR 156 Ca 0.03 -0.46 -0.12 0.00 -1.18 0.00 0.00 61.69 59.96 3h0c s THR 156 Cb -0.05 -0.25 0.13 0.00 1.34 0.00 0.00 72.50 73.67 3h0c s THR 156 CO 0.00 -0.25 1.13 0.26 -0.54 0.00 0.00 174.62 175.22 3h0c s TRP 157 N -0.80 2.55 0.59 3.99 0.52 -1.26 -1.50 118.94 123.03 3h0c s TRP 157 Ca -0.09 0.88 -0.10 0.00 0.02 0.00 0.00 56.10 56.81 3h0c s TRP 157 Cb -0.05 -3.37 -0.04 0.00 -1.15 0.00 0.00 33.47 28.86 3h0c s TRP 157 CO 0.00 -2.31 0.97 -1.54 0.02 0.00 0.00 176.95 174.09 3h0c s SER 158 N -4.02 6.21 0.58 2.95 1.04 -0.72 -4.83 113.70 114.92 3h0c s SER 158 Ca 0.63 1.29 0.37 0.00 0.48 0.00 0.00 55.95 58.72 3h0c s SER 158 Cb -0.15 -2.40 1.74 0.00 0.10 0.00 0.00 66.02 65.31 3h0c s SER 158 CO 0.53 -0.81 2.11 -0.65 0.98 0.00 0.00 173.24 175.40 3h0c h PRO 159 N -0.19 0.00 -3.44 4.02 0.11 -1.85 -3.43 132.00 127.23 3h0c h PRO 159 Ca -0.45 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.48 3h0c h PRO 159 Cb 1.20 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.05 3h0c h PRO 159 CO 0.62 0.00 -0.55 0.14 -0.21 0.00 0.00 178.00 178.00 3h0c s VAL 160 N -3.83 0.02 0.00 3.15 -7.23 -1.26 -4.79 120.40 106.46 3h0c s VAL 160 Ca -0.01 -0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.02 3h0c s VAL 160 Cb 0.10 -0.24 0.00 0.00 0.56 0.00 0.00 36.38 36.80 3h0c s VAL 160 CO 0.48 -0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.81 3h0c n GLY 161 N 2.71 0.73 2.45 2.32 0.00 -1.26 -4.63 105.19 107.52 3h0c n GLY 161 Ca -0.14 -1.42 -0.01 0.00 0.00 0.00 0.00 46.02 44.44 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 3.52 -0.35 -2.43 1.61 1.44 -1.26 -3.59 115.22 114.16 3h0c n HIS 162 Ca 0.00 -1.64 -0.36 0.00 -2.01 0.00 0.00 57.72 53.71 3h0c n HIS 162 Cb 0.00 0.58 -0.03 0.00 0.12 0.00 0.00 29.99 30.67 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 -1.45 3.87 0.02 -1.40 1.02 -1.26 -4.55 119.74 115.98 3h0c s LYS 163 Ca 0.18 1.56 0.08 0.00 0.02 0.00 0.00 55.97 57.80 3h0c s LYS 163 Cb 0.35 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 35.31 3h0c s LYS 163 CO -0.09 -0.41 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.20 3h0c s LEU 164 N -3.09 2.11 -0.05 3.17 1.43 0.62 -1.75 118.68 121.12 3h0c s LEU 164 Ca 0.64 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 53.28 3h0c s LEU 164 Cb -0.23 -1.14 0.01 0.00 0.03 0.00 0.00 46.19 44.86 3h0c s LEU 164 CO 0.27 0.24 -0.13 0.00 0.23 0.00 0.00 176.35 176.96 3h0c s ALA 165 N -0.68 1.24 -0.01 4.21 0.00 -0.56 -0.87 121.76 125.09 3h0c s ALA 165 Ca 0.09 -0.48 -0.05 0.00 0.00 0.00 0.00 51.96 51.52 3h0c s ALA 165 Cb -0.09 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.55 3h0c s ALA 165 CO 0.01 0.17 0.10 1.52 0.00 0.00 0.00 175.76 177.56 3h0c s TYR 166 N 0.33 0.02 -0.21 0.00 -0.85 -0.63 -0.89 117.35 115.12 3h0c s TYR 166 Ca -0.08 -0.05 -0.05 0.00 -0.52 0.00 0.00 57.07 56.37 3h0c s TYR 166 Cb -0.12 -0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.15 3h0c s TYR 166 CO 0.02 -0.19 0.00 0.08 -1.52 0.00 0.00 175.55 173.94 3h0c s VAL 167 N -0.91 3.91 -0.05 -3.49 1.01 0.16 -0.76 120.40 120.27 3h0c s VAL 167 Ca -0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 3h0c s VAL 167 Cb -0.06 -2.78 0.03 0.00 0.00 0.00 0.00 36.38 33.57 3h0c s VAL 167 CO 0.01 0.41 0.01 0.86 0.00 0.00 0.00 175.10 176.39 3h0c s TRP 168 N 1.17 0.43 -1.45 5.22 -0.00 -0.84 0.31 118.94 123.78 3h0c s TRP 168 Ca 0.03 -0.03 0.00 0.00 -0.00 0.00 0.00 56.10 56.10 3h0c s TRP 168 Cb -0.14 -0.58 0.00 0.00 -0.00 0.00 0.00 33.47 32.75 3h0c s TRP 168 CO 0.01 -0.21 0.00 0.09 -0.00 0.00 0.00 176.95 176.84 3h0c n ASN 169 N 4.67 -4.96 -0.09 5.86 5.03 -1.26 -2.70 115.26 121.81 3h0c n ASN 169 Ca -0.16 -0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.28 3h0c n ASN 169 Cb 0.50 -4.06 -0.01 0.00 -1.02 0.00 0.00 39.78 35.20 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 -1.19 -3.67 -4.34 6.41 4.13 -1.26 -4.42 115.26 110.93 3h0c n ASN 170 Ca -0.20 0.03 -0.29 0.00 1.68 0.00 0.00 54.58 55.80 3h0c n ASN 170 Cb 0.65 -1.28 -0.14 0.00 -1.54 0.00 0.00 39.78 37.47 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 -2.24 3.05 0.09 6.41 1.01 -1.10 -2.46 116.67 121.43 3h0c s ASP 171 Ca 0.00 -0.62 -0.24 0.00 0.71 0.00 0.00 52.55 52.40 3h0c s ASP 171 Cb 0.00 -0.25 -0.07 0.00 1.01 0.00 0.00 42.92 43.62 3h0c s ASP 171 CO 0.00 0.21 0.72 -0.63 0.21 0.00 0.00 175.17 175.68 3h0c s ILE 172 N -0.89 4.63 0.13 0.77 1.01 -1.26 -1.99 121.20 123.60 3h0c s ILE 172 Ca 0.11 1.54 0.07 0.00 0.00 0.00 0.00 60.65 62.37 3h0c s ILE 172 Cb -0.10 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 3h0c s ILE 172 CO 0.03 0.46 -0.15 -0.31 0.00 0.00 0.00 174.94 174.97 3h0c s TYR 173 N -0.63 1.52 -0.04 3.97 1.51 0.06 -0.94 117.35 122.79 3h0c s TYR 173 Ca 0.35 -0.53 0.03 0.00 -1.01 0.00 0.00 57.07 55.91 3h0c s TYR 173 Cb -0.21 -0.79 0.01 0.00 -0.11 0.00 0.00 41.96 40.86 3h0c s TYR 173 CO 0.23 0.19 -0.12 0.08 -1.11 0.00 0.00 175.55 174.82 3h0c s VAL 174 N -2.06 1.05 -0.23 0.71 1.01 -0.60 -1.61 120.40 118.67 3h0c s VAL 174 Ca 0.10 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 3h0c s VAL 174 Cb -0.05 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 3h0c s VAL 174 CO 0.04 0.32 -0.03 -0.54 0.00 0.00 0.00 175.10 174.89 3h0c s LYS 175 N 0.34 3.36 0.06 2.72 1.02 -0.05 -0.96 119.74 126.24 3h0c s LYS 175 Ca -0.07 -0.64 -0.17 0.00 0.02 0.00 0.00 55.97 55.11 3h0c s LYS 175 Cb -0.12 -3.05 -0.17 0.00 -0.52 0.00 0.00 37.83 33.97 3h0c s LYS 175 CO 0.02 -0.22 1.26 0.82 -0.92 0.00 0.00 175.35 176.31 3h0c h ILE 176 N 5.73 1.34 -4.44 2.17 1.08 -1.86 0.18 117.51 121.71 3h0c h ILE 176 Ca -0.40 -1.83 -0.67 0.00 -0.39 0.00 0.00 64.86 61.56 3h0c h ILE 176 Cb 1.16 2.11 -0.28 0.00 -3.07 0.00 0.00 36.82 36.74 3h0c h ILE 176 CO 0.60 0.56 -0.88 -1.61 -0.69 0.00 0.00 178.15 176.13 3h0c s GLU 177 N -3.73 1.86 0.50 2.37 0.41 -1.26 -4.30 118.70 114.54 3h0c s GLU 177 Ca -0.12 -0.95 0.21 0.00 -0.41 0.00 0.00 54.97 53.70 3h0c s GLU 177 Cb 0.06 -1.88 1.27 0.00 -1.78 0.00 0.00 34.13 31.80 3h0c s GLU 177 CO 0.84 0.50 1.99 -1.35 -0.49 0.00 0.00 175.26 176.76 3h0c h PRO 178 N 5.25 0.14 -0.01 0.39 0.11 -1.86 -2.21 132.00 133.80 3h0c h PRO 178 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3h0c h PRO 178 Cb 1.13 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3h0c h PRO 178 CO 0.46 0.09 -0.33 0.27 -0.21 0.00 0.00 178.00 178.28 3h0c n ASN 179 N -4.42 1.49 -4.88 -2.05 6.94 -1.26 -4.89 115.26 106.19 3h0c n ASN 179 Ca 0.10 -1.19 -0.32 0.00 -0.02 0.00 0.00 54.58 53.15 3h0c n ASN 179 Cb 0.52 0.26 -0.05 0.00 -2.36 0.00 0.00 39.78 38.15 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 -2.46 4.17 0.58 -4.53 1.02 -0.83 -4.65 118.68 111.97 3h0c s LEU 180 Ca 0.23 0.88 -0.20 0.00 0.02 0.00 0.00 54.13 55.06 3h0c s LEU 180 Cb 0.19 -3.64 -0.05 0.00 0.02 0.00 0.00 46.19 42.71 3h0c s LEU 180 CO 0.53 -0.06 1.10 -0.81 0.02 0.00 0.00 176.35 177.12 3h0c n PRO 181 N -0.15 1.15 -3.50 1.29 -0.04 -1.26 -4.83 135.00 127.66 3h0c n PRO 181 Ca 0.00 0.43 -0.35 0.00 -0.04 0.00 0.00 63.50 63.54 3h0c n PRO 181 Cb 0.52 -2.29 -0.06 0.00 -0.04 0.00 0.00 33.50 31.64 3h0c n PRO 181 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3h0c s SER 182 N -1.13 6.72 -0.08 3.54 1.04 -1.26 -4.77 113.70 117.76 3h0c s SER 182 Ca 0.74 0.90 -0.21 0.00 0.48 0.00 0.00 55.95 57.87 3h0c s SER 182 Cb -0.43 -2.22 -0.04 0.00 0.10 0.00 0.00 66.02 63.43 3h0c s SER 182 CO 0.48 0.18 0.61 -0.31 0.98 0.00 0.00 173.24 175.17 3h0c s TYR 183 N -1.36 3.56 -0.03 5.02 1.51 -0.13 -4.88 117.35 121.03 3h0c s TYR 183 Ca 0.33 1.11 -0.30 0.00 -1.01 0.00 0.00 57.07 57.20 3h0c s TYR 183 Cb -0.15 -2.69 -0.03 0.00 -0.11 0.00 0.00 41.96 38.98 3h0c s TYR 183 CO 0.18 0.14 1.16 0.50 -1.11 0.00 0.00 175.55 176.42 3h0c s ARG 184 N 0.65 4.39 -0.26 -0.62 3.52 -1.26 -1.56 118.95 123.81 3h0c s ARG 184 Ca 0.33 1.64 -0.15 0.00 -0.13 0.00 0.00 55.73 57.42 3h0c s ARG 184 Cb -0.17 -3.51 -0.15 0.00 -1.56 0.00 0.00 34.95 29.57 3h0c s ARG 184 CO 0.15 -0.36 -0.18 -0.89 -0.81 0.00 0.00 175.30 173.21 3h0c n ILE 185 N 4.42 1.54 -4.35 4.11 2.08 -0.12 -4.24 119.36 122.79 3h0c n ILE 185 Ca 0.10 -0.31 -0.28 0.00 0.56 0.00 0.00 62.75 62.83 3h0c n ILE 185 Cb 0.47 -1.90 -0.11 0.00 -0.75 0.00 0.00 39.64 37.35 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 -2.47 2.74 0.00 1.39 -4.23 -1.21 -4.75 115.64 107.11 3h0c s THR 186 Ca -0.36 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 3h0c s THR 186 Cb 0.12 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.65 3h0c s THR 186 CO 0.53 -0.04 0.54 0.79 -0.54 0.00 0.00 174.62 175.90 3h0c n TRP 187 N 0.38 0.00 0.95 3.99 7.02 -1.26 -4.48 117.44 124.05 3h0c n TRP 187 Ca -0.13 -0.13 0.10 0.00 -1.02 0.00 0.00 57.50 56.32 3h0c n TRP 187 Cb 0.55 -0.01 -0.03 0.00 -2.42 0.00 0.00 31.31 29.39 3h0c n TRP 187 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 3h0c n THR 188 N -0.13 0.00 -1.70 -0.99 -2.24 -1.26 -4.97 114.28 102.99 3h0c n THR 188 Ca 0.00 -0.22 -0.44 0.00 -2.27 0.00 0.00 64.05 61.12 3h0c n THR 188 Cb 0.16 1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 69.55 3h0c n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h0c n GLY 189 N 1.40 1.41 3.03 3.38 0.00 -1.26 -4.69 105.19 108.46 3h0c n GLY 189 Ca 0.08 0.65 -0.13 0.00 0.00 0.00 0.00 46.02 46.62 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 1.38 0.19 0.11 1.61 2.20 -1.00 -4.86 119.74 119.37 3h0c s LYS 190 Ca 0.78 0.44 -0.35 0.00 -0.36 0.00 0.00 55.97 56.47 3h0c s LYS 190 Cb -0.57 -0.08 -0.17 0.00 -1.51 0.00 0.00 37.83 35.50 3h0c s LYS 190 CO 0.35 -0.13 1.10 -1.91 -0.36 0.00 0.00 175.35 174.40 3h0c n GLU 191 N 3.92 0.69 -0.46 4.03 2.13 -1.26 -0.79 120.64 128.90 3h0c n GLU 191 Ca -0.23 0.25 0.00 0.00 0.66 0.00 0.00 57.16 57.84 3h0c n GLU 191 Cb 0.54 -1.72 0.00 0.00 0.27 0.00 0.00 31.44 30.53 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 1.97 0.00 0.03 4.31 8.00 -1.26 -4.66 116.55 124.95 3h0c n ASP 192 Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.68 3h0c n ASP 192 Cb 0.19 -2.16 0.00 0.00 -0.02 0.00 0.00 41.12 39.12 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 -2.00 0.69 -4.63 0.53 5.41 -0.48 -4.69 119.36 114.18 3h0c n ILE 193 Ca 0.00 0.23 -0.33 0.00 1.00 0.00 0.00 62.75 63.65 3h0c n ILE 193 Cb 0.00 -1.31 -0.14 0.00 -0.71 0.00 0.00 39.64 37.49 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 -1.57 3.35 -0.30 1.39 -1.09 0.03 -0.53 121.20 122.47 3h0c s ILE 194 Ca 0.00 -0.55 0.02 0.00 -2.23 0.00 0.00 60.65 57.89 3h0c s ILE 194 Cb 0.00 -2.43 0.09 0.00 -1.58 0.00 0.00 42.46 38.53 3h0c s ILE 194 CO 0.00 0.51 0.02 -0.31 -1.23 0.00 0.00 174.94 173.93 3h0c s TYR 195 N 0.37 3.04 -0.23 3.97 1.51 -0.52 -2.38 117.35 123.11 3h0c s TYR 195 Ca -0.08 -2.44 -0.14 0.00 -1.01 0.00 0.00 57.07 53.40 3h0c s TYR 195 Cb -0.15 -2.31 -0.04 0.00 -0.11 0.00 0.00 41.96 39.35 3h0c s TYR 195 CO 0.05 -0.89 0.33 -0.80 -1.11 0.00 0.00 175.55 173.12 3h0c s ASN 196 N 1.16 6.29 0.00 2.29 0.01 -1.03 -1.35 114.94 122.31 3h0c s ASN 196 Ca 0.05 0.34 0.00 0.00 -0.71 0.00 0.00 52.86 52.54 3h0c s ASN 196 Cb -0.19 -2.19 0.00 0.00 0.41 0.00 0.00 41.25 39.28 3h0c s ASN 196 CO -0.11 -0.08 0.00 0.61 -1.51 0.00 0.00 177.10 176.01 3h0c n GLY 197 N 4.28 1.75 3.11 0.66 0.00 -0.78 -4.44 105.19 109.77 3h0c n GLY 197 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.46 0.76 0.38 -0.61 -4.36 -1.26 -0.29 121.20 112.36 3h0c s ILE 198 Ca 0.00 -1.26 -0.23 0.00 -0.26 0.00 0.00 60.65 58.89 3h0c s ILE 198 Cb 0.00 -0.89 -0.10 0.00 1.25 0.00 0.00 42.46 42.71 3h0c s ILE 198 CO 0.00 -0.39 0.95 0.42 0.24 0.00 0.00 174.94 176.17 3h0c s THR 199 N -1.61 4.27 0.00 8.37 -4.23 0.86 -4.75 115.64 118.56 3h0c s THR 199 Ca -0.05 1.62 0.00 0.00 -1.18 0.00 0.00 61.69 62.09 3h0c s THR 199 Cb -0.08 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 69.97 3h0c s THR 199 CO 0.01 -0.10 0.00 -0.90 -0.54 0.00 0.00 174.62 173.09 3h0c n ASP 200 N -0.09 0.00 0.28 3.99 5.75 -1.26 -4.75 116.55 120.47 3h0c n ASP 200 Ca 0.05 -0.90 -0.14 0.00 -0.01 0.00 0.00 54.79 53.79 3h0c n ASP 200 Cb 0.52 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.54 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 -0.83 -0.96 -0.46 2.11 7.01 -1.99 -1.52 115.95 119.30 3h0c h TRP 201 Ca 0.00 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.02 3h0c h TRP 201 Cb 0.00 0.35 -0.03 0.00 -2.10 0.00 0.00 29.16 27.38 3h0c h TRP 201 CO 0.00 -0.51 0.26 -0.39 -2.79 0.00 0.00 178.44 175.00 3h0c h VAL 202 N -0.82 1.01 -0.96 2.65 -1.51 -1.96 -1.83 116.25 112.83 3h0c h VAL 202 Ca -0.07 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 3h0c h VAL 202 Cb 0.67 0.46 -0.05 0.00 -2.13 0.00 0.00 31.29 30.24 3h0c h VAL 202 CO 0.04 0.09 0.61 1.88 -1.23 0.00 0.00 177.57 178.96 3h0c h TYR 203 N 0.51 1.24 -0.26 5.19 -1.99 -1.94 0.19 116.97 119.90 3h0c h TYR 203 Ca 0.19 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.92 3h0c h TYR 203 Cb 0.05 -0.41 -0.01 0.00 2.00 0.00 0.00 36.73 38.36 3h0c h TYR 203 CO -0.08 0.80 0.12 1.49 -0.00 0.00 0.00 178.16 180.48 3h0c h GLU 204 N 1.31 0.37 0.06 4.88 4.81 -0.81 -1.89 114.58 123.33 3h0c h GLU 204 Ca 0.35 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 3h0c h GLU 204 Cb -0.11 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.21 3h0c h GLU 204 CO -0.07 0.38 -0.03 1.49 -0.73 0.00 0.00 179.01 180.05 3h0c h GLU 205 N 0.28 -0.08 0.01 1.92 4.57 -0.99 -2.96 114.58 117.33 3h0c h GLU 205 Ca 0.09 0.01 -0.35 0.00 -1.18 0.00 0.00 59.36 57.93 3h0c h GLU 205 Cb 0.14 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.69 3h0c h GLU 205 CO -0.01 0.45 -2.14 0.39 -1.18 0.00 0.00 179.01 176.51 3h0c n GLU 206 N -4.78 0.67 0.00 1.92 -0.58 0.63 -4.45 120.64 114.06 3h0c n GLU 206 Ca -0.07 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 3h0c n GLU 206 Cb 0.28 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 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 -3.00 0.00 0.57 2.62 0.31 -1.11 -4.75 118.33 112.96 3h0c n VAL 207 Ca -0.30 0.38 0.12 0.00 -0.01 0.00 0.00 64.34 64.54 3h0c n VAL 207 Cb 1.09 -1.32 0.22 0.00 -0.91 0.00 0.00 33.84 32.91 3h0c n VAL 207 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3h0c h PHE 208 N 0.00 0.00 -6.49 3.52 0.04 -1.58 -3.48 116.94 108.95 3h0c h PHE 208 Ca 0.00 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 60.26 3h0c h PHE 208 Cb 0.00 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.00 3h0c h PHE 208 CO 0.00 0.00 -0.78 0.43 -0.60 0.00 0.00 178.31 177.36 3h0c n SER 209 N -2.16 -3.81 -3.64 2.17 7.64 -1.12 -4.96 113.62 107.74 3h0c n SER 209 Ca 0.04 -0.88 -0.11 0.00 1.01 0.00 0.00 58.87 58.93 3h0c n SER 209 Cb 0.44 -3.09 -0.05 0.00 -1.01 0.00 0.00 64.21 60.50 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 -3.24 -0.94 0.01 -0.43 0.00 -1.20 -4.96 121.76 111.00 3h0c s ALA 210 Ca 0.69 0.03 -0.12 0.00 0.00 0.00 0.00 51.96 52.57 3h0c s ALA 210 Cb -0.37 0.60 -0.33 0.00 0.00 0.00 0.00 23.12 23.03 3h0c s ALA 210 CO 0.85 -0.59 0.92 -0.92 0.00 0.00 0.00 175.76 176.02 3h0c h TYR 211 N 2.53 0.80 -2.50 0.00 3.20 -1.89 -3.39 116.97 115.73 3h0c h TYR 211 Ca -0.33 -0.59 -0.58 0.00 3.14 0.00 0.00 58.73 60.37 3h0c h TYR 211 Cb 1.24 -0.03 0.07 0.00 1.54 0.00 0.00 36.73 39.55 3h0c h TYR 211 CO 0.35 1.54 0.69 0.45 -1.64 0.00 0.00 178.16 179.55 3h0c n SER 212 N -3.63 2.88 -2.32 -2.11 2.88 -1.26 -0.10 113.62 109.96 3h0c n SER 212 Ca -0.18 1.12 -0.17 0.00 -1.33 0.00 0.00 58.87 58.31 3h0c n SER 212 Cb 1.08 -1.42 0.03 0.00 -0.75 0.00 0.00 64.21 63.15 3h0c n SER 212 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h0c n ALA 213 N 2.53 4.25 -3.20 -1.46 0.00 0.61 -4.57 120.51 118.66 3h0c n ALA 213 Ca 0.14 -3.51 -0.32 0.00 0.00 0.00 0.00 53.44 49.75 3h0c n ALA 213 Cb 0.30 -0.53 -0.17 0.00 0.00 0.00 0.00 19.45 19.05 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 -3.64 2.09 -0.27 0.00 1.02 -1.24 -1.96 118.68 114.68 3h0c s LEU 214 Ca 0.43 -0.56 -0.02 0.00 0.02 0.00 0.00 54.13 54.00 3h0c s LEU 214 Cb 0.39 -1.41 0.09 0.00 0.02 0.00 0.00 46.19 45.28 3h0c s LEU 214 CO -0.00 0.16 0.09 0.26 0.02 0.00 0.00 176.35 176.88 3h0c s TRP 215 N 0.32 1.10 0.27 0.29 0.51 0.28 -5.00 118.94 116.71 3h0c s TRP 215 Ca -0.18 -1.24 -0.29 0.00 -2.12 0.00 0.00 56.10 52.26 3h0c s TRP 215 Cb -0.18 -1.29 -0.09 0.00 -0.81 0.00 0.00 33.47 31.10 3h0c s TRP 215 CO 0.09 -0.79 1.19 -1.58 -0.51 0.00 0.00 176.95 175.34 3h0c s TRP 216 N 1.83 3.40 0.58 -1.98 0.52 -1.26 -0.88 118.94 121.14 3h0c s TRP 216 Ca 0.07 1.54 -0.21 0.00 0.02 0.00 0.00 56.10 57.52 3h0c s TRP 216 Cb -0.17 -3.43 -0.04 0.00 -1.15 0.00 0.00 33.47 28.68 3h0c s TRP 216 CO -0.24 -1.10 1.35 0.45 0.02 0.00 0.00 176.95 177.43 3h0c s SER 217 N -0.48 5.05 0.43 2.95 0.15 -0.35 -4.94 113.70 116.52 3h0c s SER 217 Ca 0.48 2.75 0.11 0.00 0.70 0.00 0.00 55.95 59.99 3h0c s SER 217 Cb -0.34 -2.63 0.95 0.00 -1.71 0.00 0.00 66.02 62.28 3h0c s SER 217 CO 0.43 -1.72 2.03 -0.65 1.20 0.00 0.00 173.24 174.52 3h0c h PRO 218 N 1.19 0.26 -0.43 5.44 0.11 -1.90 -1.50 132.00 135.17 3h0c h PRO 218 Ca -0.51 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.46 3h0c h PRO 218 Cb 1.31 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 3h0c h PRO 218 CO 0.56 0.26 -0.17 -0.97 -0.21 0.00 0.00 178.00 177.47 3h0c h ASN 219 N 0.26 0.82 0.00 -2.05 -0.73 -1.92 -3.41 115.58 108.55 3h0c h ASN 219 Ca 0.06 -0.28 0.00 0.00 1.87 0.00 0.00 56.30 57.96 3h0c h ASN 219 Cb 0.14 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.50 3h0c h ASN 219 CO -0.00 0.98 0.00 0.61 -0.37 0.00 0.00 177.43 178.65 3h0c n GLY 220 N -0.31 0.82 0.07 1.57 0.00 -0.57 -4.66 105.19 102.12 3h0c n GLY 220 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 1.72 -3.04 2.61 2.02 -1.92 -3.46 112.91 110.85 3h0c h THR 221 Ca 0.00 -2.14 -0.63 0.00 0.77 0.00 0.00 66.41 64.41 3h0c h THR 221 Cb 0.00 3.18 -0.07 0.00 -1.74 0.00 0.00 68.15 69.52 3h0c h THR 221 CO 0.00 0.55 -0.55 -0.36 0.37 0.00 0.00 175.52 175.53 3h0c s PHE 222 N -2.58 3.36 -0.21 3.16 0.08 -1.26 -0.24 117.98 120.29 3h0c s PHE 222 Ca -0.18 0.18 0.01 0.00 0.12 0.00 0.00 56.93 57.06 3h0c s PHE 222 Cb -0.02 -1.70 0.05 0.00 -0.57 0.00 0.00 43.02 40.77 3h0c s PHE 222 CO 0.69 0.56 -0.10 -1.17 -0.10 0.00 0.00 175.22 175.09 3h0c s LEU 223 N -2.34 2.48 -0.10 -0.37 0.20 0.25 -1.21 118.68 117.60 3h0c s LEU 223 Ca 0.31 -0.99 -0.12 0.00 0.69 0.00 0.00 54.13 54.02 3h0c s LEU 223 Cb -0.13 -1.29 -0.05 0.00 -0.43 0.00 0.00 46.19 44.30 3h0c s LEU 223 CO 0.23 -0.16 0.29 0.00 -0.29 0.00 0.00 176.35 176.43 3h0c s ALA 224 N 1.35 3.70 0.07 5.97 0.00 -0.06 -0.52 121.76 132.27 3h0c s ALA 224 Ca -0.03 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 3h0c s ALA 224 Cb -0.17 -2.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 3h0c s ALA 224 CO -0.08 0.36 -0.02 1.52 0.00 0.00 0.00 175.76 177.54 3h0c s TYR 225 N -0.43 0.62 0.30 0.00 1.13 -0.71 0.10 117.35 118.36 3h0c s TYR 225 Ca 0.18 -1.08 0.07 0.00 -1.41 0.00 0.00 57.07 54.84 3h0c s TYR 225 Cb -0.14 -0.42 -0.03 0.00 -1.10 0.00 0.00 41.96 40.27 3h0c s TYR 225 CO 0.07 -0.37 0.27 0.00 -2.51 0.00 0.00 175.55 173.00 3h0c s ALA 226 N -3.90 3.76 -0.03 9.51 0.00 -0.83 -1.79 121.76 128.49 3h0c s ALA 226 Ca 0.10 -1.54 0.01 0.00 0.00 0.00 0.00 51.96 50.54 3h0c s ALA 226 Cb 0.08 -1.27 0.01 0.00 0.00 0.00 0.00 23.12 21.94 3h0c s ALA 226 CO -0.08 0.11 -0.04 -1.14 0.00 0.00 0.00 175.76 174.61 3h0c s GLN 227 N -3.94 0.62 -0.05 0.00 0.74 0.08 -1.86 119.66 115.24 3h0c s GLN 227 Ca 0.38 -0.12 0.06 0.00 0.05 0.00 0.00 55.36 55.72 3h0c s GLN 227 Cb -0.07 -0.64 -0.02 0.00 1.10 0.00 0.00 33.01 33.39 3h0c s GLN 227 CO 0.26 -0.00 -0.22 -0.06 -0.55 0.00 0.00 175.29 174.72 3h0c s PHE 228 N 0.50 2.49 -0.32 1.67 0.08 -0.46 -1.29 117.98 120.65 3h0c s PHE 228 Ca -0.06 -0.54 0.02 0.00 0.12 0.00 0.00 56.93 56.47 3h0c s PHE 228 Cb -0.10 -1.60 0.08 0.00 -0.57 0.00 0.00 43.02 40.84 3h0c s PHE 228 CO -0.00 -0.10 0.02 1.21 -0.10 0.00 0.00 175.22 176.25 3h0c s ASN 229 N -0.34 4.75 -0.21 1.36 3.84 -0.66 -1.43 114.94 122.24 3h0c s ASN 229 Ca 0.02 -1.81 0.15 0.00 0.21 0.00 0.00 52.86 51.43 3h0c s ASN 229 Cb -0.12 -1.64 0.74 0.00 -0.55 0.00 0.00 41.25 39.67 3h0c s ASN 229 CO 0.02 -0.33 1.66 0.47 -2.79 0.00 0.00 177.10 176.13 3h0c n ASP 230 N 4.39 5.19 -0.30 -4.21 9.92 0.31 -2.57 116.55 129.28 3h0c n ASP 230 Ca -0.04 -2.91 0.10 0.00 -0.53 0.00 0.00 54.79 51.40 3h0c n ASP 230 Cb 0.42 -0.64 0.22 0.00 -0.64 0.00 0.00 41.12 40.48 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 3.44 0.19 -0.47 -3.53 2.02 -1.85 -2.02 112.91 110.70 3h0c h THR 231 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3h0c h THR 231 Cb 1.80 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 3h0c h THR 231 CO 0.40 0.01 0.00 -0.62 0.37 0.00 0.00 175.52 175.69 3h0c n GLU 232 N -5.41 2.54 -2.77 6.66 1.02 -1.26 -4.94 120.64 116.48 3h0c n GLU 232 Ca 0.18 -2.36 -0.42 0.00 -0.02 0.00 0.00 57.16 54.54 3h0c n GLU 232 Cb 0.61 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.49 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 -1.31 4.82 0.55 2.62 1.01 -0.76 -4.73 120.40 122.60 3h0c s VAL 233 Ca 0.40 1.87 -0.21 0.00 0.00 0.00 0.00 61.98 64.04 3h0c s VAL 233 Cb 0.23 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.31 3h0c s VAL 233 CO 0.31 0.00 1.20 -2.65 0.00 0.00 0.00 175.10 173.96 3h0c n PRO 234 N 5.19 1.41 -3.65 2.72 -0.02 -1.26 -4.68 135.00 134.70 3h0c n PRO 234 Ca 0.07 0.52 -0.36 0.00 -2.02 0.00 0.00 63.50 61.72 3h0c n PRO 234 Cb 0.49 -2.39 -0.08 0.00 -0.02 0.00 0.00 33.50 31.50 3h0c n PRO 234 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3h0c s LEU 235 N -2.68 4.19 -0.02 2.45 1.43 -1.26 -1.67 118.68 121.12 3h0c s LEU 235 Ca 0.72 0.28 -0.24 0.00 -1.03 0.00 0.00 54.13 53.86 3h0c s LEU 235 Cb -0.44 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 3h0c s LEU 235 CO 0.49 0.12 0.73 0.27 0.23 0.00 0.00 176.35 178.20 3h0c s ILE 236 N 0.58 4.92 -0.05 -0.59 -5.25 0.07 -4.87 121.20 116.01 3h0c s ILE 236 Ca 0.10 1.53 0.05 0.00 -0.99 0.00 0.00 60.65 61.35 3h0c s ILE 236 Cb -0.12 -4.07 -0.01 0.00 2.95 0.00 0.00 42.46 41.21 3h0c s ILE 236 CO 0.01 0.30 -0.21 -1.61 -1.79 0.00 0.00 174.94 171.64 3h0c s GLU 237 N 0.43 2.22 0.05 0.37 2.02 -1.26 -1.33 118.70 121.21 3h0c s GLU 237 Ca 0.38 -0.77 -0.11 0.00 0.02 0.00 0.00 54.97 54.49 3h0c s GLU 237 Cb -0.19 -1.89 0.01 0.00 0.10 0.00 0.00 34.13 32.16 3h0c s GLU 237 CO 0.20 0.31 0.24 1.52 0.02 0.00 0.00 175.26 177.55 3h0c s TYR 238 N -0.05 0.00 0.36 1.61 1.13 -0.90 -4.98 117.35 114.52 3h0c s TYR 238 Ca -0.04 -0.21 -0.26 0.00 -1.41 0.00 0.00 57.07 55.15 3h0c s TYR 238 Cb -0.13 0.02 -0.09 0.00 -1.10 0.00 0.00 41.96 40.66 3h0c s TYR 238 CO 0.03 -0.47 1.07 -1.12 -2.51 0.00 0.00 175.55 172.56 3h0c s SER 239 N -2.15 6.90 -0.19 -0.18 0.01 -1.26 -0.91 113.70 115.92 3h0c s SER 239 Ca -0.04 2.14 0.01 0.00 1.31 0.00 0.00 55.95 59.36 3h0c s SER 239 Cb -0.00 -2.60 0.04 0.00 0.21 0.00 0.00 66.02 63.66 3h0c s SER 239 CO -0.04 -0.40 -0.11 0.12 0.41 0.00 0.00 173.24 173.22 3h0c s PHE 240 N -1.47 2.38 0.08 2.43 5.36 0.37 -4.76 117.98 122.36 3h0c s PHE 240 Ca 0.53 -1.52 0.06 0.00 -0.96 0.00 0.00 56.93 55.04 3h0c s PHE 240 Cb -0.26 -1.64 -0.23 0.00 -0.34 0.00 0.00 43.02 40.56 3h0c s PHE 240 CO 0.33 -0.73 1.12 1.88 -1.46 0.00 0.00 175.22 176.35 3h0c h TYR 241 N 7.99 0.08 -1.59 10.12 0.05 -1.96 -0.83 116.97 130.84 3h0c h TYR 241 Ca -0.30 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.42 3h0c h TYR 241 Cb 1.10 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.84 3h0c h TYR 241 CO 0.50 1.06 0.00 0.45 -1.05 0.00 0.00 178.16 179.12 3h0c n SER 242 N -3.32 -4.76 -4.68 3.88 2.88 -1.26 -4.73 113.62 101.63 3h0c n SER 242 Ca -0.05 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.14 3h0c n SER 242 Cb 0.98 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.55 3h0c n SER 242 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3h0c n ASP 243 N -3.03 1.10 0.17 -3.46 8.00 -1.26 -4.84 116.55 113.22 3h0c n ASP 243 Ca 0.00 0.65 0.10 0.00 0.71 0.00 0.00 54.79 56.25 3h0c n ASP 243 Cb 0.00 -1.50 0.54 0.00 -0.02 0.00 0.00 41.12 40.15 3h0c n ASP 243 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3h0c n GLU 244 N -2.72 0.13 0.14 -1.24 0.28 -1.26 -1.45 120.64 114.52 3h0c n GLU 244 Ca 0.14 0.62 0.13 0.00 -0.16 0.00 0.00 57.16 57.89 3h0c n GLU 244 Cb 0.50 -2.01 0.41 0.00 1.43 0.00 0.00 31.44 31.77 3h0c n GLU 244 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3h0c h SER 245 N 0.00 0.00 -3.15 -1.84 4.64 -1.93 -3.43 113.55 107.84 3h0c h SER 245 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 3h0c h SER 245 Cb 0.16 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.20 3h0c h SER 245 CO 0.00 0.00 0.92 -0.22 -0.87 0.00 0.00 176.83 176.66 3h0c s LEU 246 N -4.92 3.94 -0.04 5.97 0.20 -0.53 -4.94 118.68 118.37 3h0c s LEU 246 Ca 0.08 1.24 -0.25 0.00 0.69 0.00 0.00 54.13 55.89 3h0c s LEU 246 Cb 0.10 -3.54 -0.19 0.00 -0.43 0.00 0.00 46.19 42.13 3h0c s LEU 246 CO 0.55 -0.97 1.09 -0.61 -0.29 0.00 0.00 176.35 176.12 3h0c h GLN 247 N 8.77 -0.10 -5.06 1.98 4.15 -1.89 -3.43 115.11 119.52 3h0c h GLN 247 Ca -0.25 0.01 -0.63 0.00 0.77 0.00 0.00 58.65 58.55 3h0c h GLN 247 Cb 1.09 0.02 -0.18 0.00 0.21 0.00 0.00 27.48 28.62 3h0c h GLN 247 CO 1.02 0.41 -0.57 0.71 -1.93 0.00 0.00 178.83 178.47 3h0c s TYR 248 N -3.81 3.19 0.46 3.99 1.51 -1.26 -5.09 117.35 116.34 3h0c s TYR 248 Ca -0.15 -0.07 -0.24 0.00 -1.01 0.00 0.00 57.07 55.60 3h0c s TYR 248 Cb 0.01 -2.22 -0.09 0.00 -0.11 0.00 0.00 41.96 39.56 3h0c s TYR 248 CO 0.60 -0.10 1.17 -2.30 -1.11 0.00 0.00 175.55 173.81 3h0c n PRO 249 N 4.42 1.61 -3.30 -1.71 -0.02 -1.26 -5.01 135.00 129.72 3h0c n PRO 249 Ca -0.16 0.58 -0.38 0.00 -2.02 0.00 0.00 63.50 61.52 3h0c n PRO 249 Cb 0.52 -2.29 -0.06 0.00 -0.02 0.00 0.00 33.50 31.65 3h0c n PRO 249 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3h0c s LYS 250 N -2.32 4.16 -0.27 -0.52 2.20 -0.32 -4.88 119.74 117.79 3h0c s LYS 250 Ca 0.65 0.70 -0.12 0.00 -0.36 0.00 0.00 55.97 56.83 3h0c s LYS 250 Cb -0.50 -3.22 -0.05 0.00 -1.51 0.00 0.00 37.83 32.56 3h0c s LYS 250 CO 0.55 0.64 0.24 0.99 -0.36 0.00 0.00 175.35 177.41 3h0c s THR 251 N -1.12 5.27 -0.11 3.43 2.01 -1.26 0.14 115.64 124.00 3h0c s THR 251 Ca 0.29 0.30 -0.18 0.00 0.31 0.00 0.00 61.69 62.41 3h0c s THR 251 Cb -0.19 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 3h0c s THR 251 CO 0.18 0.23 0.46 -0.69 -0.69 0.00 0.00 174.62 174.12 3h0c s VAL 252 N 1.77 5.17 -0.18 3.82 1.01 -0.09 -4.94 120.40 126.97 3h0c s VAL 252 Ca 0.10 0.92 0.01 0.00 0.00 0.00 0.00 61.98 63.01 3h0c s VAL 252 Cb -0.16 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.46 3h0c s VAL 252 CO 0.10 0.36 -0.13 -0.13 0.00 0.00 0.00 175.10 175.30 3h0c s ARG 253 N 0.43 2.24 -0.10 2.72 0.52 -1.26 -2.12 118.95 121.38 3h0c s ARG 253 Ca 0.25 -0.74 0.03 0.00 -0.52 0.00 0.00 55.73 54.76 3h0c s ARG 253 Cb -0.15 -2.31 0.00 0.00 0.52 0.00 0.00 34.95 33.01 3h0c s ARG 253 CO 0.10 -0.33 -0.21 0.08 0.02 0.00 0.00 175.30 174.96 3h0c s VAL 254 N 1.42 1.86 -0.24 3.52 1.01 -0.44 -4.95 120.40 122.58 3h0c s VAL 254 Ca 0.02 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 3h0c s VAL 254 Cb -0.15 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 3h0c s VAL 254 CO -0.10 0.52 1.86 -2.84 0.00 0.00 0.00 175.10 174.54 3h0c s PRO 255 N 0.48 3.50 -0.26 2.72 0.02 -1.26 -0.75 135.00 139.43 3h0c s PRO 255 Ca -0.16 1.75 -0.02 0.00 0.02 0.00 0.00 61.00 62.58 3h0c s PRO 255 Cb -0.17 -4.19 0.11 0.00 0.02 0.00 0.00 34.50 30.27 3h0c s PRO 255 CO 0.07 -1.67 0.22 -0.47 -0.33 0.00 0.00 177.00 174.82 3h0c s TYR 256 N 6.51 -0.17 -0.13 6.54 6.14 -0.67 -4.51 117.35 131.07 3h0c s TYR 256 Ca 0.83 -0.29 -0.29 0.00 0.64 0.00 0.00 57.07 57.96 3h0c s TYR 256 Cb -0.28 -0.57 -0.02 0.00 0.42 0.00 0.00 41.96 41.51 3h0c s TYR 256 CO 0.34 -0.80 1.17 -1.25 0.64 0.00 0.00 175.55 175.65 3h0c s PRO 257 N 2.27 4.30 0.46 4.97 0.04 -1.26 -4.62 135.00 141.16 3h0c s PRO 257 Ca 0.08 1.59 0.01 0.00 0.04 0.00 0.00 61.00 62.72 3h0c s PRO 257 Cb -0.15 -3.64 0.01 0.00 0.04 0.00 0.00 34.50 30.75 3h0c s PRO 257 CO -0.28 -0.55 0.67 0.15 0.04 0.00 0.00 177.00 177.03 3h0c s LYS 258 N 2.80 2.93 -0.41 4.56 1.02 -1.26 -2.03 119.74 127.34 3h0c s LYS 258 Ca 0.53 -0.64 -0.39 0.00 0.02 0.00 0.00 55.97 55.48 3h0c s LYS 258 Cb -0.21 -2.57 -0.15 0.00 -0.52 0.00 0.00 37.83 34.37 3h0c s LYS 258 CO 0.16 -0.35 2.13 0.00 -0.92 0.00 0.00 175.35 176.37 3h0c n ALA 259 N -2.09 0.59 0.00 5.17 0.00 -0.16 -0.13 120.51 123.88 3h0c n ALA 259 Ca 0.03 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3h0c n ALA 259 Cb 0.58 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 6.75 0.78 3.84 0.00 0.00 -1.26 -4.78 105.19 110.52 3h0c n GLY 260 Ca 0.46 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.18 3h0c n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h0c s ALA 261 N -2.22 1.98 0.23 4.61 0.00 0.81 -5.00 121.76 122.17 3h0c s ALA 261 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 51.96 50.76 3h0c s ALA 261 Cb 0.00 -2.89 -0.10 0.00 0.00 0.00 0.00 23.12 20.13 3h0c s ALA 261 CO 0.00 -2.41 1.44 0.08 0.00 0.00 0.00 175.76 174.86 3h0c s VAL 262 N -3.56 2.72 0.37 0.00 1.01 -1.26 -4.85 120.40 114.83 3h0c s VAL 262 Ca 0.69 0.60 0.04 0.00 0.00 0.00 0.00 61.98 63.30 3h0c s VAL 262 Cb -0.09 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 3h0c s VAL 262 CO 0.53 0.09 0.54 0.20 0.00 0.00 0.00 175.10 176.45 3h0c s ASN 263 N 0.44 5.99 0.59 3.32 0.02 -1.26 -4.62 114.94 119.42 3h0c s ASN 263 Ca 0.60 0.06 -0.20 0.00 -1.02 0.00 0.00 52.86 52.31 3h0c s ASN 263 Cb -0.41 -1.48 -0.03 0.00 0.02 0.00 0.00 41.25 39.35 3h0c s ASN 263 CO 0.41 -0.48 1.27 -2.16 0.02 0.00 0.00 177.10 176.17 3h0c s PRO 264 N -4.30 2.93 0.21 -0.60 0.04 -1.26 -4.81 135.00 127.21 3h0c s PRO 264 Ca 0.44 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.53 3h0c s PRO 264 Cb -0.10 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 3h0c s PRO 264 CO 0.34 -1.29 0.35 0.95 0.04 0.00 0.00 177.00 177.39 3h0c s THR 265 N -1.44 5.27 0.09 1.26 -4.23 -1.06 -4.91 115.64 110.61 3h0c s THR 265 Ca 0.77 -0.77 0.06 0.00 -1.18 0.00 0.00 61.69 60.56 3h0c s THR 265 Cb -0.35 -3.80 -0.03 0.00 1.34 0.00 0.00 72.50 69.65 3h0c s THR 265 CO 0.39 -0.24 -0.16 0.54 -0.54 0.00 0.00 174.62 174.61 3h0c s VAL 266 N -1.91 1.27 0.04 2.29 0.11 -1.26 -1.65 120.40 119.29 3h0c s VAL 266 Ca 0.35 -1.42 0.02 0.00 -2.93 0.00 0.00 61.98 58.00 3h0c s VAL 266 Cb -0.10 -1.25 -0.02 0.00 -1.53 0.00 0.00 36.38 33.48 3h0c s VAL 266 CO 0.29 -0.22 -0.07 -0.54 -3.33 0.00 0.00 175.10 171.23 3h0c s LYS 267 N -1.93 0.49 -0.05 1.54 1.02 -0.41 -4.96 119.74 115.44 3h0c s LYS 267 Ca 0.02 -0.73 0.06 0.00 0.02 0.00 0.00 55.97 55.33 3h0c s LYS 267 Cb -0.09 -0.23 -0.02 0.00 -0.52 0.00 0.00 37.83 36.97 3h0c s LYS 267 CO 0.03 0.04 -0.23 0.12 -0.92 0.00 0.00 175.35 174.39 3h0c s PHE 268 N -1.38 2.48 0.05 3.18 5.36 -1.26 -0.74 117.98 125.68 3h0c s PHE 268 Ca -0.11 -0.54 0.02 0.00 -0.96 0.00 0.00 56.93 55.34 3h0c s PHE 268 Cb -0.10 -1.59 -0.03 0.00 -0.34 0.00 0.00 43.02 40.96 3h0c s PHE 268 CO 0.00 -0.09 -0.07 -0.06 -1.46 0.00 0.00 175.22 173.54 3h0c s PHE 269 N -0.36 0.68 -0.06 10.12 0.08 -0.74 -1.25 117.98 126.45 3h0c s PHE 269 Ca 0.03 -0.65 0.01 0.00 0.12 0.00 0.00 56.93 56.44 3h0c s PHE 269 Cb -0.12 -0.41 0.02 0.00 -0.57 0.00 0.00 43.02 41.94 3h0c s PHE 269 CO 0.02 -0.13 -0.07 0.08 -0.10 0.00 0.00 175.22 175.02 3h0c s VAL 270 N -2.13 0.77 -0.11 -0.44 1.01 0.27 -1.74 120.40 118.02 3h0c s VAL 270 Ca -0.04 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 3h0c s VAL 270 Cb -0.05 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 3h0c s VAL 270 CO -0.02 0.28 0.01 -0.69 0.00 0.00 0.00 175.10 174.68 3h0c s VAL 271 N 0.96 4.33 -0.49 2.92 1.01 0.32 -1.88 120.40 127.57 3h0c s VAL 271 Ca -0.10 -0.23 -0.23 0.00 0.00 0.00 0.00 61.98 61.43 3h0c s VAL 271 Cb -0.15 -2.86 0.04 0.00 0.00 0.00 0.00 36.38 33.42 3h0c s VAL 271 CO 0.00 0.57 0.81 0.21 0.00 0.00 0.00 175.10 176.69 3h0c s ASN 272 N -0.49 6.36 0.42 3.32 3.84 -1.26 -0.58 114.94 126.54 3h0c s ASN 272 Ca 0.09 -0.32 0.28 0.00 0.21 0.00 0.00 52.86 53.12 3h0c s ASN 272 Cb -0.12 -2.39 1.02 0.00 -0.55 0.00 0.00 41.25 39.21 3h0c s ASN 272 CO 0.02 -1.02 1.82 0.74 -2.79 0.00 0.00 177.10 175.88 3h0c h THR 273 N 5.97 0.00 0.00 -5.21 2.02 -0.93 -3.21 112.91 111.55 3h0c h THR 273 Ca -0.26 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.40 3h0c h THR 273 Cb 1.08 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 3h0c h THR 273 CO 1.00 0.00 -0.39 0.47 0.37 0.00 0.00 175.52 176.97 3h0c n ASP 274 N -2.78 0.42 -0.72 4.18 8.00 -1.26 -3.94 116.55 120.44 3h0c n ASP 274 Ca 0.02 -0.03 0.06 0.00 0.71 0.00 0.00 54.79 55.56 3h0c n ASP 274 Cb 0.34 0.06 0.22 0.00 -0.02 0.00 0.00 41.12 41.71 3h0c n ASP 274 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3h0c n SER 275 N -1.58 3.12 -4.75 -2.24 3.41 -1.21 -5.03 113.62 105.34 3h0c n SER 275 Ca 0.06 -3.23 -0.41 0.00 -0.26 0.00 0.00 58.87 55.03 3h0c n SER 275 Cb 0.35 -0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 63.73 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 -2.95 4.50 0.15 1.04 1.43 -1.25 -5.03 118.68 116.57 3h0c s LEU 276 Ca 0.40 2.20 0.11 0.00 -1.03 0.00 0.00 54.13 55.81 3h0c s LEU 276 Cb 0.34 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 3h0c s LEU 276 CO 0.05 -0.25 -0.25 -0.55 0.23 0.00 0.00 176.35 175.59 3h0c s SER 277 N -0.30 3.24 0.25 2.29 0.15 -1.26 -5.03 113.70 113.05 3h0c s SER 277 Ca 0.49 -0.79 0.03 0.00 0.70 0.00 0.00 55.95 56.37 3h0c s SER 277 Cb -0.31 -0.22 0.31 0.00 -1.71 0.00 0.00 66.02 64.08 3h0c s SER 277 CO 0.38 0.13 1.62 0.28 1.20 0.00 0.00 173.24 176.85 3h0c h SER 278 N 3.61 0.38 -0.03 5.45 0.02 -2.00 -3.35 113.55 117.63 3h0c h SER 278 Ca -0.48 -0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 60.20 3h0c h SER 278 Cb 1.19 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 63.63 3h0c h SER 278 CO 0.43 0.80 -0.34 0.58 -1.14 0.00 0.00 176.83 177.16 3h0c h VAL 279 N 0.28 1.47 -2.96 2.27 2.07 -2.02 -3.46 116.25 113.89 3h0c h VAL 279 Ca 0.02 -1.86 -0.61 0.00 0.82 0.00 0.00 66.70 65.07 3h0c h VAL 279 Cb 0.94 2.54 -0.12 0.00 -1.52 0.00 0.00 31.29 33.13 3h0c h VAL 279 CO 0.08 0.52 -0.67 0.42 0.02 0.00 0.00 177.57 177.94 3h0c s THR 280 N -3.39 3.66 0.80 2.57 -4.23 -1.26 -5.12 115.64 108.68 3h0c s THR 280 Ca -0.15 -1.41 -0.13 0.00 -1.18 0.00 0.00 61.69 58.83 3h0c s THR 280 Cb 0.03 -2.83 0.08 0.00 1.34 0.00 0.00 72.50 71.12 3h0c s THR 280 CO 0.77 -0.08 1.16 0.20 -0.54 0.00 0.00 174.62 176.13 3h0c s ASN 281 N -2.84 3.87 0.40 3.99 0.01 -1.26 -4.35 114.94 114.76 3h0c s ASN 281 Ca 0.27 2.19 -0.26 0.00 -0.71 0.00 0.00 52.86 54.34 3h0c s ASN 281 Cb -0.09 -2.57 -0.09 0.00 0.41 0.00 0.00 41.25 38.91 3h0c s ASN 281 CO 0.18 -2.47 1.31 0.00 -1.51 0.00 0.00 177.10 174.60 3h0c s ALA 282 N -2.39 3.28 -0.36 0.60 0.00 -1.26 -4.89 121.76 116.74 3h0c s ALA 282 Ca 0.69 1.24 -0.09 0.00 0.00 0.00 0.00 51.96 53.80 3h0c s ALA 282 Cb -0.24 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.42 3h0c s ALA 282 CO 0.51 -0.81 0.17 0.99 0.00 0.00 0.00 175.76 176.62 3h0c s THR 283 N -1.25 4.30 0.29 0.00 2.01 -1.26 -5.02 115.64 114.70 3h0c s THR 283 Ca 0.56 -0.93 -0.18 0.00 0.31 0.00 0.00 61.69 61.45 3h0c s THR 283 Cb -0.38 -3.40 -0.09 0.00 0.01 0.00 0.00 72.50 68.64 3h0c s THR 283 CO 0.49 -0.20 0.76 -0.44 -0.69 0.00 0.00 174.62 174.55 3h0c s SER 284 N 1.50 6.94 -0.12 3.53 0.01 -1.26 -4.61 113.70 119.69 3h0c s SER 284 Ca 0.01 1.40 -0.03 0.00 1.31 0.00 0.00 55.95 58.64 3h0c s SER 284 Cb -0.19 -2.42 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 3h0c s SER 284 CO 0.05 -0.12 -0.00 -0.63 0.41 0.00 0.00 173.24 172.96 3h0c s ILE 285 N -1.80 4.26 -0.06 1.44 1.09 -0.79 -4.93 121.20 120.42 3h0c s ILE 285 Ca 0.50 -0.25 -0.15 0.00 -1.10 0.00 0.00 60.65 59.65 3h0c s ILE 285 Cb -0.13 -2.83 -0.05 0.00 -1.06 0.00 0.00 42.46 38.38 3h0c s ILE 285 CO 0.19 0.55 0.40 -1.58 -0.10 0.00 0.00 174.94 174.40 3h0c s GLN 286 N -0.31 4.08 -0.34 2.79 0.74 -1.26 -0.57 119.66 124.80 3h0c s GLN 286 Ca 0.06 0.36 -0.10 0.00 0.05 0.00 0.00 55.36 55.73 3h0c s GLN 286 Cb -0.12 -3.31 0.01 0.00 1.10 0.00 0.00 33.01 30.68 3h0c s GLN 286 CO 0.02 0.48 0.17 0.42 -0.55 0.00 0.00 175.29 175.83 3h0c s ILE 287 N -0.37 4.59 0.30 -2.34 1.01 -0.38 -4.94 121.20 119.08 3h0c s ILE 287 Ca 0.23 -0.59 -0.28 0.00 0.00 0.00 0.00 60.65 60.01 3h0c s ILE 287 Cb -0.16 -3.43 -0.09 0.00 0.01 0.00 0.00 42.46 38.79 3h0c s ILE 287 CO 0.11 -0.05 1.00 -0.89 0.00 0.00 0.00 174.94 175.11 3h0c s THR 288 N 1.59 3.88 0.65 2.92 2.01 -1.26 -4.01 115.64 121.42 3h0c s THR 288 Ca 0.04 1.71 -0.17 0.00 0.31 0.00 0.00 61.69 63.57 3h0c s THR 288 Cb -0.18 -4.01 -0.01 0.00 0.01 0.00 0.00 72.50 68.31 3h0c s THR 288 CO 0.06 0.27 1.19 0.00 -0.69 0.00 0.00 174.62 175.45 3h0c s ALA 289 N -1.39 2.40 0.63 7.40 0.00 -1.26 -4.98 121.76 124.57 3h0c s ALA 289 Ca 0.48 0.89 -0.18 0.00 0.00 0.00 0.00 51.96 53.15 3h0c s ALA 289 Cb -0.25 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 3h0c s ALA 289 CO 0.31 -1.40 1.02 -2.30 0.00 0.00 0.00 175.76 173.40 3h0c n PRO 290 N -2.07 0.85 -0.19 0.00 -0.02 -1.26 -4.73 135.00 127.58 3h0c n PRO 290 Ca 0.13 0.34 0.19 0.00 -2.02 0.00 0.00 63.50 62.14 3h0c n PRO 290 Cb 0.50 -2.24 0.55 0.00 -0.02 0.00 0.00 33.50 32.28 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 0.34 2.27 0.00 3.55 0.00 -1.99 -0.41 119.26 123.01 3h0c h ALA 291 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3h0c h ALA 291 Cb 1.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3h0c h ALA 291 CO 0.50 -0.51 0.00 -1.13 0.00 0.00 0.00 179.25 178.11 3h0c n SER 292 N -4.46 0.24 -0.11 0.00 3.41 -1.26 -3.28 113.62 108.15 3h0c n SER 292 Ca 0.17 0.54 -0.15 0.00 -0.26 0.00 0.00 58.87 59.17 3h0c n SER 292 Cb 0.66 -0.60 -0.13 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.74 0.67 0.00 4.33 2.00 -0.21 -4.42 117.12 117.74 3h0c n MET 293 Ca 0.04 0.10 0.06 0.00 0.00 0.00 0.00 57.70 57.90 3h0c n MET 293 Cb 0.26 -1.53 0.25 0.00 0.00 0.00 0.00 33.22 32.19 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 -3.09 0.00 0.23 4.03 4.77 -0.94 -2.91 117.00 119.09 3h0c n LEU 294 Ca -0.40 0.48 0.15 0.00 -0.03 0.00 0.00 56.01 56.21 3h0c n LEU 294 Cb 1.05 -0.48 0.51 0.00 -2.33 0.00 0.00 43.42 42.17 3h0c n LEU 294 CO 0.33 -0.29 0.92 -0.29 -1.33 0.00 0.00 177.39 176.73 3h0c h ILE 295 N 0.00 0.00 -1.18 -0.08 -0.00 -1.76 -3.47 117.51 111.02 3h0c h ILE 295 Ca 0.00 -0.60 0.00 0.00 -0.00 0.00 0.00 64.86 64.26 3h0c h ILE 295 Cb 0.19 1.56 0.00 0.00 -0.00 0.00 0.00 36.82 38.57 3h0c h ILE 295 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.76 3h0c n GLY 296 N 0.40 3.33 3.74 8.18 0.00 -1.15 -5.14 105.19 114.55 3h0c n GLY 296 Ca 0.02 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 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 1.29 6.96 0.29 1.61 1.01 -1.26 -4.97 116.67 121.59 3h0c s ASP 297 Ca 0.00 2.38 -0.08 0.00 0.71 0.00 0.00 52.55 55.57 3h0c s ASP 297 Cb 0.00 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.32 3h0c s ASP 297 CO 0.00 -0.46 0.47 -1.38 0.21 0.00 0.00 175.17 174.01 3h0c s HIS 298 N -0.18 0.70 0.13 4.23 -3.43 -1.26 -1.25 115.29 114.23 3h0c s HIS 298 Ca 0.54 -1.02 0.06 0.00 -0.80 0.00 0.00 55.06 53.83 3h0c s HIS 298 Cb -0.36 0.07 -0.04 0.00 -1.43 0.00 0.00 32.58 30.82 3h0c s HIS 298 CO 0.40 -1.07 -0.13 0.71 -2.00 0.00 0.00 174.74 172.65 3h0c s TYR 299 N -3.49 1.37 -0.26 0.38 2.02 0.14 -4.86 117.35 112.65 3h0c s TYR 299 Ca 0.27 -0.60 -0.16 0.00 -0.37 0.00 0.00 57.07 56.20 3h0c s TYR 299 Cb -0.00 -0.71 -0.03 0.00 -0.40 0.00 0.00 41.96 40.82 3h0c s TYR 299 CO 0.14 0.14 0.44 -1.17 -1.57 0.00 0.00 175.55 173.53 3h0c s LEU 300 N -2.66 4.05 -0.04 -1.29 0.20 -1.26 -1.01 118.68 116.67 3h0c s LEU 300 Ca 0.11 0.41 0.10 0.00 0.69 0.00 0.00 54.13 55.45 3h0c s LEU 300 Cb -0.03 -2.54 -0.16 0.00 -0.43 0.00 0.00 46.19 43.03 3h0c s LEU 300 CO 0.03 -0.22 0.18 0.00 -0.29 0.00 0.00 176.35 176.04 3h0c s ASP 302 N -3.56 -0.43 -0.04 0.00 -1.08 -1.13 -4.83 116.67 105.60 3h0c s ASP 302 Ca -0.04 0.72 -0.02 0.00 -0.52 0.00 0.00 52.55 52.69 3h0c s ASP 302 Cb 0.06 0.76 0.03 0.00 -1.46 0.00 0.00 42.92 42.31 3h0c s ASP 302 CO 0.44 -0.26 0.05 -0.69 0.52 0.00 0.00 175.17 175.23 3h0c s VAL 303 N -0.22 -0.06 -0.16 1.11 1.01 -1.26 -0.88 120.40 119.94 3h0c s VAL 303 Ca -0.04 0.38 -0.04 0.00 0.00 0.00 0.00 61.98 62.29 3h0c s VAL 303 Cb -0.03 -0.18 0.08 0.00 0.00 0.00 0.00 36.38 36.24 3h0c s VAL 303 CO 0.02 0.18 0.23 -0.89 0.00 0.00 0.00 175.10 174.64 3h0c s THR 304 N 2.07 -0.35 0.20 3.92 2.01 -0.07 -5.02 115.64 118.40 3h0c s THR 304 Ca 0.04 0.09 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 3h0c s THR 304 Cb -0.12 -0.54 -0.09 0.00 0.01 0.00 0.00 72.50 71.76 3h0c s THR 304 CO -0.03 -0.04 1.39 0.26 -0.69 0.00 0.00 174.62 175.51 3h0c s TRP 305 N 2.35 3.15 -0.24 4.92 0.52 -1.26 -0.32 118.94 128.07 3h0c s TRP 305 Ca 0.05 1.07 -0.19 0.00 0.02 0.00 0.00 56.10 57.05 3h0c s TRP 305 Cb -0.14 -3.72 -0.16 0.00 -1.15 0.00 0.00 33.47 28.30 3h0c s TRP 305 CO -0.10 -2.36 -0.02 0.00 0.02 0.00 0.00 176.95 174.49 3h0c n ALA 306 N 2.80 0.95 -3.00 0.98 0.00 0.13 -4.89 120.51 117.48 3h0c n ALA 306 Ca 0.08 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.78 3h0c n ALA 306 Cb 0.41 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.58 3h0c n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h0c n THR 307 N -4.36 0.00 0.28 0.00 -2.24 -1.14 -4.66 114.28 102.17 3h0c n THR 307 Ca -0.41 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 61.53 3h0c n THR 307 Cb 0.77 0.00 0.80 0.00 -2.10 0.00 0.00 70.33 69.80 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 -3.11 115.11 110.34 3h0c h GLN 308 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 3h0c h GLN 308 Cb 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 3h0c h GLN 308 CO 0.00 0.06 -0.21 0.39 -0.95 0.00 0.00 178.83 178.11 3h0c n GLU 309 N -3.28 0.95 -3.68 1.46 1.02 -1.26 -4.89 120.64 110.96 3h0c n GLU 309 Ca -0.01 -2.24 -0.16 0.00 -0.02 0.00 0.00 57.16 54.72 3h0c n GLU 309 Cb 0.24 -1.21 -0.16 0.00 -0.02 0.00 0.00 31.44 30.30 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 -2.10 0.04 -0.03 3.49 3.52 -1.17 -1.19 118.95 121.50 3h0c s ARG 310 Ca 0.25 0.51 0.05 0.00 -0.13 0.00 0.00 55.73 56.41 3h0c s ARG 310 Cb 0.22 -0.27 -0.03 0.00 -1.56 0.00 0.00 34.95 33.32 3h0c s ARG 310 CO 0.01 -0.28 -0.17 0.42 -0.81 0.00 0.00 175.30 174.47 3h0c s ILE 311 N 2.05 2.83 -0.17 4.11 1.09 -0.94 0.17 121.20 130.34 3h0c s ILE 311 Ca 0.01 -0.85 -0.04 0.00 -1.10 0.00 0.00 60.65 58.67 3h0c s ILE 311 Cb -0.12 -2.09 -0.02 0.00 -1.06 0.00 0.00 42.46 39.16 3h0c s ILE 311 CO -0.06 0.56 -0.04 -0.94 -0.10 0.00 0.00 174.94 174.37 3h0c s SER 312 N -0.79 4.70 0.23 3.58 1.04 0.57 -1.31 113.70 121.73 3h0c s SER 312 Ca 0.12 -0.18 0.09 0.00 0.48 0.00 0.00 55.95 56.46 3h0c s SER 312 Cb -0.10 -1.77 -0.04 0.00 0.10 0.00 0.00 66.02 64.20 3h0c s SER 312 CO 0.01 0.14 -0.02 -0.76 0.98 0.00 0.00 173.24 173.59 3h0c s LEU 313 N 0.54 3.19 -0.05 2.42 1.43 -0.12 -0.89 118.68 125.21 3h0c s LEU 313 Ca -0.03 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 52.51 3h0c s LEU 313 Cb -0.14 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.32 3h0c s LEU 313 CO 0.03 0.04 -0.08 -1.10 0.23 0.00 0.00 176.35 175.46 3h0c s GLN 314 N -3.36 1.16 0.26 1.70 -0.21 -0.06 -0.51 119.66 118.64 3h0c s GLN 314 Ca 0.29 -0.26 0.10 0.00 0.02 0.00 0.00 55.36 55.51 3h0c s GLN 314 Cb -0.07 -1.04 -0.04 0.00 1.00 0.00 0.00 33.01 32.85 3h0c s GLN 314 CO 0.19 0.01 -0.04 -1.58 -2.12 0.00 0.00 175.29 171.75 3h0c s TRP 315 N 0.63 2.64 -0.02 0.91 0.52 -0.29 -1.32 118.94 122.00 3h0c s TRP 315 Ca -0.10 -0.24 0.00 0.00 0.02 0.00 0.00 56.10 55.78 3h0c s TRP 315 Cb -0.13 -1.18 0.03 0.00 -1.15 0.00 0.00 33.47 31.03 3h0c s TRP 315 CO 0.02 0.62 0.02 -1.17 0.02 0.00 0.00 176.95 176.46 3h0c s LEU 316 N -3.55 1.16 0.68 2.99 2.96 -0.18 -2.15 118.68 120.60 3h0c s LEU 316 Ca 0.30 0.02 -0.15 0.00 -0.22 0.00 0.00 54.13 54.09 3h0c s LEU 316 Cb -0.07 -0.10 0.01 0.00 0.50 0.00 0.00 46.19 46.54 3h0c s LEU 316 CO 0.19 -0.11 1.14 -0.13 -1.32 0.00 0.00 176.35 176.12 3h0c s ARG 317 N 0.98 2.59 0.26 1.98 0.52 -0.93 0.28 118.95 124.63 3h0c s ARG 317 Ca -0.08 1.53 -0.04 0.00 -0.52 0.00 0.00 55.73 56.61 3h0c s ARG 317 Cb -0.12 -1.91 0.32 0.00 0.52 0.00 0.00 34.95 33.76 3h0c s ARG 317 CO -0.03 -1.44 1.90 -0.09 0.02 0.00 0.00 175.30 175.67 3h0c h ARG 318 N -0.03 1.17 -6.63 3.54 2.43 -1.51 -3.23 114.38 110.12 3h0c h ARG 318 Ca -0.47 -0.11 -0.56 0.00 -0.81 0.00 0.00 59.98 58.03 3h0c h ARG 318 Cb 1.26 -0.24 -0.07 0.00 -0.42 0.00 0.00 29.97 30.50 3h0c h ARG 318 CO 0.53 0.83 0.97 0.42 -1.51 0.00 0.00 179.97 181.21 3h0c s ILE 319 N -5.85 4.08 0.00 1.20 1.01 -1.26 -4.77 121.20 115.61 3h0c s ILE 319 Ca -0.12 1.04 -0.03 0.00 0.00 0.00 0.00 60.65 61.54 3h0c s ILE 319 Cb 0.17 -4.61 -0.12 0.00 0.01 0.00 0.00 42.46 37.92 3h0c s ILE 319 CO 0.81 -1.13 2.66 0.00 0.00 0.00 0.00 174.94 177.29 3h0c n GLN 320 N 8.16 1.41 0.02 2.79 6.02 -1.22 -3.77 117.38 130.78 3h0c n GLN 320 Ca 0.11 -0.44 -0.02 0.00 -0.01 0.00 0.00 57.00 56.65 3h0c n GLN 320 Cb 0.49 -1.45 -0.09 0.00 1.02 0.00 0.00 30.24 30.20 3h0c n GLN 320 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3h0c n ASN 321 N 1.96 0.83 -3.83 1.08 3.02 -1.26 -1.99 115.26 115.07 3h0c n ASN 321 Ca 0.19 0.37 -0.25 0.00 -0.03 0.00 0.00 54.58 54.86 3h0c n ASN 321 Cb 0.67 0.16 -0.17 0.00 -0.61 0.00 0.00 39.78 39.83 3h0c n ASN 321 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3h0c s TYR 322 N -2.87 1.07 0.05 3.10 5.04 -1.25 -2.43 117.35 120.07 3h0c s TYR 322 Ca -0.03 -0.48 0.09 0.00 -2.44 0.00 0.00 57.07 54.20 3h0c s TYR 322 Cb 0.09 -1.01 -0.03 0.00 0.35 0.00 0.00 41.96 41.35 3h0c s TYR 322 CO 0.82 -0.43 -0.24 0.45 -1.34 0.00 0.00 175.55 174.80 3h0c s SER 323 N 1.84 2.94 -0.03 4.32 0.15 -0.44 -2.20 113.70 120.29 3h0c s SER 323 Ca 0.04 -0.59 0.03 0.00 0.70 0.00 0.00 55.95 56.14 3h0c s SER 323 Cb -0.13 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 3h0c s SER 323 CO -0.07 0.21 -0.11 -0.69 1.20 0.00 0.00 173.24 173.78 3h0c s VAL 324 N -0.84 0.97 -0.14 4.45 1.01 -0.91 -1.13 120.40 123.81 3h0c s VAL 324 Ca 0.10 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 3h0c s VAL 324 Cb -0.10 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 3h0c s VAL 324 CO 0.02 0.29 -0.01 -0.32 0.00 0.00 0.00 175.10 175.09 3h0c s MET 325 N 0.11 3.49 -0.10 2.72 1.75 0.48 -1.14 119.30 126.60 3h0c s MET 325 Ca -0.02 -0.45 0.04 0.00 -1.25 0.00 0.00 55.69 54.00 3h0c s MET 325 Cb -0.09 -2.92 0.00 0.00 2.84 0.00 0.00 34.83 34.66 3h0c s MET 325 CO 0.01 0.41 -0.22 0.34 -0.65 0.00 0.00 175.02 174.91 3h0c s ASP 326 N -0.07 2.90 -0.18 1.11 2.15 0.33 -2.05 116.67 120.88 3h0c s ASP 326 Ca 0.03 -0.53 -0.05 0.00 0.43 0.00 0.00 52.55 52.44 3h0c s ASP 326 Cb -0.13 -1.33 -0.03 0.00 -0.30 0.00 0.00 42.92 41.13 3h0c s ASP 326 CO 0.02 0.13 -0.00 -0.63 -0.17 0.00 0.00 175.17 174.52 3h0c s ILE 327 N 0.46 4.12 -0.13 4.11 1.01 -1.26 -0.94 121.20 128.57 3h0c s ILE 327 Ca -0.17 -0.27 -0.00 0.00 0.00 0.00 0.00 60.65 60.21 3h0c s ILE 327 Cb -0.17 -2.84 0.03 0.00 0.01 0.00 0.00 42.46 39.49 3h0c s ILE 327 CO 0.07 0.46 -0.09 0.00 0.00 0.00 0.00 174.94 175.39 3h0c s ASP 329 N 1.66 6.31 0.46 0.00 1.11 -0.45 -2.22 116.67 123.54 3h0c s ASP 329 Ca 0.04 0.44 -0.18 0.00 0.18 0.00 0.00 52.55 53.03 3h0c s ASP 329 Cb -0.13 -2.02 -0.09 0.00 1.07 0.00 0.00 42.92 41.74 3h0c s ASP 329 CO -0.09 0.40 0.95 -0.47 1.18 0.00 0.00 175.17 177.15 3h0c s TYR 330 N -1.04 3.38 -0.17 4.23 5.04 -0.33 -1.22 117.35 127.25 3h0c s TYR 330 Ca 0.16 1.51 0.01 0.00 -2.44 0.00 0.00 57.07 56.31 3h0c s TYR 330 Cb -0.12 -2.80 0.01 0.00 0.35 0.00 0.00 41.96 39.41 3h0c s TYR 330 CO 0.05 -0.22 -0.20 0.34 -1.34 0.00 0.00 175.55 174.18 3h0c s ASP 331 N -2.63 3.19 0.36 4.32 2.15 -0.69 -4.96 116.67 118.42 3h0c s ASP 331 Ca 0.60 -0.61 0.04 0.00 0.43 0.00 0.00 52.55 53.01 3h0c s ASP 331 Cb -0.09 -1.48 0.71 0.00 -0.30 0.00 0.00 42.92 41.75 3h0c s ASP 331 CO 0.22 0.03 1.99 1.05 -0.17 0.00 0.00 175.17 178.30 3h0c h GLU 332 N 7.68 0.76 0.00 4.34 9.09 -1.98 -1.87 114.58 132.60 3h0c h GLU 332 Ca -0.40 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 58.96 3h0c h GLU 332 Cb 1.16 -0.17 0.00 0.00 -1.65 0.00 0.00 28.75 28.09 3h0c h GLU 332 CO 0.60 0.50 -0.01 0.66 0.05 0.00 0.00 179.01 180.81 3h0c h SER 333 N 0.78 0.00 0.61 3.06 4.64 -1.98 -3.39 113.55 117.27 3h0c h SER 333 Ca 0.26 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.49 3h0c h SER 333 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3h0c h SER 333 CO -0.07 0.27 -0.43 0.77 -0.87 0.00 0.00 176.83 176.49 3h0c h SER 334 N -0.53 0.00 -2.22 4.97 4.64 -2.02 -3.47 113.55 114.93 3h0c h SER 334 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 3h0c h SER 334 Cb 0.01 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.13 3h0c h SER 334 CO 0.00 0.43 -0.25 0.61 -0.87 0.00 0.00 176.83 176.75 3h0c n GLY 335 N -0.02 0.21 3.80 -0.77 0.00 -0.70 -5.06 105.19 102.65 3h0c n GLY 335 Ca -0.01 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 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 -5.06 2.23 0.22 1.61 0.52 -1.25 -4.94 118.95 112.27 3h0c s ARG 336 Ca 0.14 -2.38 0.11 0.00 -0.52 0.00 0.00 55.73 53.08 3h0c s ARG 336 Cb -0.06 -1.61 -0.05 0.00 0.52 0.00 0.00 34.95 33.75 3h0c s ARG 336 CO 0.17 -0.44 -0.22 -1.58 0.02 0.00 0.00 175.30 173.24 3h0c s TRP 337 N -2.88 2.28 -0.07 -0.53 0.52 -1.26 -1.70 118.94 115.29 3h0c s TRP 337 Ca 0.07 -0.35 -0.00 0.00 0.02 0.00 0.00 56.10 55.83 3h0c s TRP 337 Cb 0.00 -1.08 0.02 0.00 -1.15 0.00 0.00 33.47 31.27 3h0c s TRP 337 CO 0.04 0.57 -0.04 -0.80 0.02 0.00 0.00 176.95 176.74 3h0c s ASN 338 N -2.97 1.56 -0.78 2.95 0.01 -0.36 -4.94 114.94 110.42 3h0c s ASN 338 Ca 0.24 -0.17 -0.00 0.00 -0.71 0.00 0.00 52.86 52.21 3h0c s ASN 338 Cb -0.07 -0.58 0.19 0.00 0.41 0.00 0.00 41.25 41.20 3h0c s ASN 338 CO 0.11 -0.11 0.62 0.00 -1.51 0.00 0.00 177.10 176.21 3h0c s LEU 340 N -1.03 4.39 0.48 0.00 1.02 -1.25 -4.91 118.68 117.39 3h0c s LEU 340 Ca 0.24 2.77 0.15 0.00 0.02 0.00 0.00 54.13 57.31 3h0c s LEU 340 Cb -0.11 -3.57 1.13 0.00 0.02 0.00 0.00 46.19 43.66 3h0c s LEU 340 CO -0.11 -0.99 2.07 0.58 0.02 0.00 0.00 176.35 177.92 3h0c h VAL 341 N 4.51 1.07 0.00 -1.59 2.07 -1.97 -0.68 116.25 119.66 3h0c h VAL 341 Ca -0.45 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 3h0c h VAL 341 Cb 1.21 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 3h0c h VAL 341 CO 0.95 0.09 -0.08 0.00 0.02 0.00 0.00 177.57 178.55 3h0c h ALA 342 N 1.91 1.17 0.00 1.67 0.00 -1.99 -2.76 119.26 119.25 3h0c h ALA 342 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3h0c h ALA 342 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3h0c h ALA 342 CO 0.01 0.10 -0.35 0.54 0.00 0.00 0.00 179.25 179.56 3h0c n ARG 343 N -3.43 0.06 -2.20 0.00 1.74 -0.26 -4.90 116.66 107.66 3h0c n ARG 343 Ca -0.01 0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.67 3h0c n ARG 343 Cb 0.23 -1.55 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 3h0c n ARG 343 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3h0c s GLN 344 N -3.03 4.27 -0.18 5.56 -0.21 -1.04 -4.66 119.66 120.36 3h0c s GLN 344 Ca 0.11 1.99 -0.06 0.00 0.02 0.00 0.00 55.36 57.42 3h0c s GLN 344 Cb 0.17 -3.61 -0.03 0.00 1.00 0.00 0.00 33.01 30.54 3h0c s GLN 344 CO 0.65 -0.61 0.03 -1.01 -2.12 0.00 0.00 175.29 172.23 3h0c s HIS 345 N 2.56 3.16 -0.13 0.91 3.76 -0.87 -4.95 115.29 119.73 3h0c s HIS 345 Ca 0.65 -0.10 -0.06 0.00 -0.15 0.00 0.00 55.06 55.40 3h0c s HIS 345 Cb -0.32 -2.04 -0.04 0.00 1.11 0.00 0.00 32.58 31.29 3h0c s HIS 345 CO 0.26 0.05 0.08 0.42 -0.85 0.00 0.00 174.74 174.71 3h0c s ILE 346 N 0.45 5.01 -0.16 0.60 1.01 -1.26 -0.38 121.20 126.46 3h0c s ILE 346 Ca 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.68 3h0c s ILE 346 Cb -0.13 -3.18 0.04 0.00 0.01 0.00 0.00 42.46 39.20 3h0c s ILE 346 CO 0.01 0.58 -0.07 -0.70 0.00 0.00 0.00 174.94 174.76 3h0c s GLU 347 N -0.65 1.60 0.32 2.79 2.12 -0.29 -5.02 118.70 119.57 3h0c s GLU 347 Ca 0.12 -0.55 0.10 0.00 0.36 0.00 0.00 54.97 55.00 3h0c s GLU 347 Cb -0.12 -2.04 -0.06 0.00 0.26 0.00 0.00 34.13 32.17 3h0c s GLU 347 CO 0.02 -0.40 -0.12 -1.64 -0.54 0.00 0.00 175.26 172.58 3h0c s MET 348 N 1.59 1.75 -0.09 4.30 -1.94 -1.26 -1.32 119.30 122.33 3h0c s MET 348 Ca 0.01 -1.88 -0.05 0.00 -1.71 0.00 0.00 55.69 52.06 3h0c s MET 348 Cb -0.15 -1.67 0.04 0.00 2.01 0.00 0.00 34.83 35.06 3h0c s MET 348 CO -0.08 0.18 0.22 0.45 -0.01 0.00 0.00 175.02 175.78 3h0c s SER 349 N -3.57 -0.23 -0.00 3.03 0.15 -1.02 -4.96 113.70 107.10 3h0c s SER 349 Ca 0.31 0.46 0.22 0.00 0.70 0.00 0.00 55.95 57.64 3h0c s SER 349 Cb 0.01 0.38 -0.29 0.00 -1.71 0.00 0.00 66.02 64.40 3h0c s SER 349 CO 0.16 -0.13 0.57 0.35 1.20 0.00 0.00 173.24 175.39 3h0c n THR 350 N 3.84 0.06 0.14 6.45 -2.24 -1.26 -4.36 114.28 116.91 3h0c n THR 350 Ca -0.22 -0.47 0.09 0.00 -2.27 0.00 0.00 64.05 61.19 3h0c n THR 350 Cb 0.54 0.04 0.06 0.00 -2.10 0.00 0.00 70.33 68.87 3h0c n THR 350 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3h0c h THR 351 N 0.00 0.16 0.00 4.28 1.35 -1.98 -3.49 112.91 113.22 3h0c h THR 351 Ca 0.00 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 3h0c h THR 351 Cb 0.96 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 3h0c h THR 351 CO 0.00 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 3h0c n GLY 352 N 1.18 1.85 3.98 5.82 0.00 -1.26 -4.83 105.19 111.93 3h0c n GLY 352 Ca 0.01 0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 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 1.23 2.19 -0.06 1.61 -2.14 -1.26 -4.64 118.94 115.87 3h0c s TRP 353 Ca 0.00 -0.58 -0.17 0.00 2.66 0.00 0.00 56.10 58.02 3h0c s TRP 353 Cb 0.00 -2.23 -0.05 0.00 -3.10 0.00 0.00 33.47 28.09 3h0c s TRP 353 CO 0.00 -0.61 0.45 0.08 -2.66 0.00 0.00 176.95 174.21 3h0c s VAL 354 N -2.53 5.09 0.07 -0.66 1.01 -0.84 -4.76 120.40 117.77 3h0c s VAL 354 Ca 0.54 0.92 0.00 0.00 0.00 0.00 0.00 61.98 63.43 3h0c s VAL 354 Cb -0.06 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3h0c s VAL 354 CO 0.33 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.49 3h0c n GLY 355 N 2.56 -1.48 0.10 4.51 0.00 -1.26 -3.70 105.19 105.92 3h0c n GLY 355 Ca -0.10 -1.46 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.27 -0.11 0.00 1.61 3.08 -1.95 -3.43 114.38 113.31 3h0c h ARG 356 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3h0c h ARG 356 Cb 0.27 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3h0c h ARG 356 CO 0.00 0.38 -0.69 1.19 -1.07 0.00 0.00 179.97 179.78 3h0c n PHE 357 N -4.89 0.00 -4.00 3.04 3.72 -1.26 -4.89 117.46 109.18 3h0c n PHE 357 Ca -0.08 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.23 3h0c n PHE 357 Cb 0.27 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.73 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 0.94 0.30 -1.08 1.70 -1.26 -5.02 118.95 112.85 3h0c s ARG 358 Ca 0.00 -1.19 -0.29 0.00 -0.47 0.00 0.00 55.73 53.79 3h0c s ARG 358 Cb 0.00 0.31 -0.13 0.00 -0.57 0.00 0.00 34.95 34.56 3h0c s ARG 358 CO 0.00 -0.30 1.20 -2.30 -1.08 0.00 0.00 175.30 172.82 3h0c n PRO 359 N -0.10 1.81 -2.20 3.89 -0.02 -1.24 -4.30 135.00 132.83 3h0c n PRO 359 Ca -0.10 0.64 -0.33 0.00 -2.02 0.00 0.00 63.50 61.69 3h0c n PRO 359 Cb 0.63 -2.15 -0.01 0.00 -0.02 0.00 0.00 33.50 31.95 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 6.04 0.34 2.55 1.04 -1.26 -4.93 113.70 117.17 3h0c s SER 360 Ca 0.59 1.80 -0.27 0.00 0.48 0.00 0.00 55.95 58.55 3h0c s SER 360 Cb -0.64 -2.53 -0.09 0.00 0.10 0.00 0.00 66.02 62.86 3h0c s SER 360 CO 0.59 -0.99 1.05 -1.83 0.98 0.00 0.00 173.24 173.04 3h0c s GLU 361 N -3.91 4.42 0.27 4.02 1.03 -1.26 -4.87 118.70 118.40 3h0c s GLU 361 Ca 0.63 1.60 -0.29 0.00 0.03 0.00 0.00 54.97 56.94 3h0c s GLU 361 Cb -0.15 -2.85 -0.09 0.00 -0.80 0.00 0.00 34.13 30.24 3h0c s GLU 361 CO 0.33 0.07 0.98 -1.25 -1.33 0.00 0.00 175.26 174.06 3h0c s PRO 362 N -1.98 4.74 -0.32 -4.83 0.04 -1.26 -4.63 135.00 126.77 3h0c s PRO 362 Ca 0.51 1.53 -0.02 0.00 0.04 0.00 0.00 61.00 63.07 3h0c s PRO 362 Cb -0.26 -3.16 0.06 0.00 0.04 0.00 0.00 34.50 31.19 3h0c s PRO 362 CO 0.32 0.39 0.04 -1.01 0.04 0.00 0.00 177.00 176.78 3h0c s HIS 363 N -1.26 3.34 0.39 0.56 3.76 0.08 -4.96 115.29 117.20 3h0c s HIS 363 Ca 0.44 -1.99 -0.07 0.00 -0.15 0.00 0.00 55.06 53.28 3h0c s HIS 363 Cb -0.26 -2.32 -0.05 0.00 1.11 0.00 0.00 32.58 31.05 3h0c s HIS 363 CO 0.33 -0.83 0.71 -0.06 -0.85 0.00 0.00 174.74 174.03 3h0c s PHE 364 N 1.22 3.50 0.85 1.40 0.40 -1.26 -0.98 117.98 123.10 3h0c s PHE 364 Ca -0.02 0.85 -0.13 0.00 -0.60 0.00 0.00 56.93 57.03 3h0c s PHE 364 Cb -0.20 -2.30 0.11 0.00 0.51 0.00 0.00 43.02 41.14 3h0c s PHE 364 CO -0.02 -0.06 1.18 0.95 0.70 0.00 0.00 175.22 177.97 3h0c s THR 365 N -2.38 1.99 0.24 0.64 -4.23 -0.97 -4.95 115.64 105.99 3h0c s THR 365 Ca 0.48 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.93 3h0c s THR 365 Cb -0.10 -2.94 0.24 0.00 1.34 0.00 0.00 72.50 71.03 3h0c s THR 365 CO 0.34 0.00 1.91 0.25 -0.54 0.00 0.00 174.62 176.58 3h0c h LEU 366 N -1.23 1.07 -0.44 4.79 5.85 -1.92 -2.06 115.31 121.37 3h0c h LEU 366 Ca -0.47 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3h0c h LEU 366 Cb 1.32 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.09 3h0c h LEU 366 CO 0.62 0.76 0.00 -2.24 -0.34 0.00 0.00 178.44 177.24 3h0c h ASP 367 N 1.26 0.00 -0.73 1.25 3.04 -1.94 -3.47 116.42 115.83 3h0c h ASP 367 Ca 0.36 0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 54.01 3h0c h ASP 367 Cb -0.09 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.17 3h0c h ASP 367 CO -0.09 0.00 -0.16 0.61 -2.04 0.00 0.00 179.24 177.56 3h0c n GLY 368 N 0.77 0.43 0.22 7.15 0.00 -0.78 -4.92 105.19 108.08 3h0c n GLY 368 Ca 0.03 -0.65 0.11 0.00 0.00 0.00 0.00 46.02 45.52 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 0.73 1.32 -3.73 1.61 3.02 -1.26 -4.93 115.26 112.02 3h0c n ASN 369 Ca -0.08 -1.07 -0.10 0.00 -0.03 0.00 0.00 54.58 53.30 3h0c n ASN 369 Cb 0.42 0.57 -0.05 0.00 -0.61 0.00 0.00 39.78 40.11 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 -2.73 -0.12 0.21 6.41 1.04 -1.26 -1.96 113.70 115.30 3h0c s SER 370 Ca 0.15 -0.46 -0.14 0.00 0.48 0.00 0.00 55.95 55.97 3h0c s SER 370 Cb 0.17 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.74 3h0c s SER 370 CO 0.68 -0.84 0.47 0.72 0.98 0.00 0.00 173.24 175.25 3h0c s PHE 371 N -3.84 0.17 0.02 5.02 -0.71 -0.71 -2.28 117.98 115.65 3h0c s PHE 371 Ca 0.05 -0.53 0.08 0.00 -1.04 0.00 0.00 56.93 55.49 3h0c s PHE 371 Cb 0.03 0.24 -0.02 0.00 -1.21 0.00 0.00 43.02 42.05 3h0c s PHE 371 CO -0.10 -0.93 -0.23 0.71 -1.34 0.00 0.00 175.22 173.33 3h0c s TYR 372 N -3.95 2.02 -0.20 3.49 1.51 -0.16 -1.06 117.35 119.00 3h0c s TYR 372 Ca 0.16 -0.39 -0.14 0.00 -1.01 0.00 0.00 57.07 55.69 3h0c s TYR 372 Cb -0.00 -1.24 0.06 0.00 -0.11 0.00 0.00 41.96 40.66 3h0c s TYR 372 CO 0.03 0.05 0.50 0.21 -1.11 0.00 0.00 175.55 175.24 3h0c s LYS 373 N -0.95 0.54 -0.22 -0.62 2.20 -0.80 -0.74 119.74 119.16 3h0c s LYS 373 Ca 0.09 0.82 -0.29 0.00 -0.36 0.00 0.00 55.97 56.23 3h0c s LYS 373 Cb -0.09 0.16 -0.02 0.00 -1.51 0.00 0.00 37.83 36.36 3h0c s LYS 373 CO 0.01 -0.11 1.51 0.42 -0.36 0.00 0.00 175.35 176.82 3h0c s ILE 374 N 0.88 3.84 0.02 5.43 1.01 -1.26 -0.89 121.20 130.23 3h0c s ILE 374 Ca -0.05 0.96 0.07 0.00 0.00 0.00 0.00 60.65 61.63 3h0c s ILE 374 Cb -0.05 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 3h0c s ILE 374 CO -0.07 -0.30 -0.20 -0.63 0.00 0.00 0.00 174.94 173.74 3h0c s ILE 375 N 4.75 1.59 0.11 2.92 1.09 0.65 -4.63 121.20 127.69 3h0c s ILE 375 Ca 0.66 -1.03 -0.31 0.00 -1.10 0.00 0.00 60.65 58.88 3h0c s ILE 375 Cb -0.23 -1.36 -0.09 0.00 -1.06 0.00 0.00 42.46 39.71 3h0c s ILE 375 CO 0.26 0.30 1.69 -0.55 -0.10 0.00 0.00 174.94 176.55 3h0c s SER 376 N -0.85 6.54 0.71 3.58 0.15 -1.26 -1.85 113.70 120.72 3h0c s SER 376 Ca 0.07 2.61 -0.01 0.00 0.70 0.00 0.00 55.95 59.33 3h0c s SER 376 Cb -0.08 -2.57 0.12 0.00 -1.71 0.00 0.00 66.02 61.78 3h0c s SER 376 CO 0.01 -0.91 0.98 0.54 1.20 0.00 0.00 173.24 175.06 3h0c s ASN 377 N 2.14 4.40 0.60 5.45 6.03 -0.59 -4.95 114.94 128.03 3h0c s ASN 377 Ca 0.75 -0.31 0.30 0.00 -1.03 0.00 0.00 52.86 52.57 3h0c s ASN 377 Cb -0.43 -0.10 1.71 0.00 -3.03 0.00 0.00 41.25 39.40 3h0c s ASN 377 CO 0.33 -1.82 2.10 -0.33 -2.03 0.00 0.00 177.10 175.35 3h0c h GLU 378 N -0.51 0.00 -0.04 3.55 3.07 -1.95 -1.74 114.58 116.96 3h0c h GLU 378 Ca -0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.49 3h0c h GLU 378 Cb 1.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 3h0c h GLU 378 CO 0.41 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 178.41 3h0c n GLU 379 N -3.67 2.20 0.00 2.33 4.71 -1.26 -4.97 120.64 119.99 3h0c n GLU 379 Ca 0.01 -1.88 0.00 0.00 -0.01 0.00 0.00 57.16 55.28 3h0c n GLU 379 Cb 0.32 -1.44 0.00 0.00 -1.01 0.00 0.00 31.44 29.31 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 1.30 0.16 3.83 0.62 0.00 -0.65 -4.86 105.19 105.59 3h0c n GLY 380 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 3.64 -0.21 1.61 1.51 -1.26 -0.33 117.35 120.31 3h0c s TYR 381 Ca 0.00 0.79 -0.28 0.00 -1.01 0.00 0.00 57.07 56.57 3h0c s TYR 381 Cb 0.00 -2.20 0.00 0.00 -0.11 0.00 0.00 41.96 39.65 3h0c s TYR 381 CO 0.00 0.60 0.97 1.03 -1.11 0.00 0.00 175.55 177.03 3h0c s ARG 382 N -0.77 4.26 0.22 -0.62 0.52 -1.26 -1.54 118.95 119.76 3h0c s ARG 382 Ca 0.20 1.23 -0.00 0.00 -0.52 0.00 0.00 55.73 56.64 3h0c s ARG 382 Cb -0.15 -3.62 -0.04 0.00 0.52 0.00 0.00 34.95 31.66 3h0c s ARG 382 CO 0.09 -0.54 0.14 -1.01 0.02 0.00 0.00 175.30 174.00 3h0c s HIS 383 N 2.88 1.25 0.17 -0.53 3.76 -0.77 -1.50 115.29 120.54 3h0c s HIS 383 Ca 0.42 -1.38 -0.29 0.00 -0.15 0.00 0.00 55.06 53.66 3h0c s HIS 383 Cb -0.16 -0.61 -0.08 0.00 1.11 0.00 0.00 32.58 32.85 3h0c s HIS 383 CO 0.08 -0.63 0.90 0.42 -0.85 0.00 0.00 174.74 174.67 3h0c s ILE 384 N -4.06 4.31 -0.02 0.60 1.01 -1.26 -0.25 121.20 121.53 3h0c s ILE 384 Ca 0.39 1.97 0.06 0.00 0.00 0.00 0.00 60.65 63.07 3h0c s ILE 384 Cb 0.07 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.25 3h0c s ILE 384 CO 0.13 0.44 -0.20 0.00 0.00 0.00 0.00 174.94 175.32 3h0c s TYR 386 N -0.39 3.23 -0.04 0.00 5.04 0.48 -1.90 117.35 123.77 3h0c s TYR 386 Ca 0.06 -0.76 -0.03 0.00 -2.44 0.00 0.00 57.07 53.90 3h0c s TYR 386 Cb -0.08 -2.46 -0.04 0.00 0.35 0.00 0.00 41.96 39.73 3h0c s TYR 386 CO -0.00 -0.58 0.11 -0.06 -1.34 0.00 0.00 175.55 173.67 3h0c s PHE 387 N 1.60 3.40 -0.15 4.97 0.40 -0.23 -1.88 117.98 126.09 3h0c s PHE 387 Ca 0.03 0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.69 3h0c s PHE 387 Cb -0.19 -1.81 0.01 0.00 0.51 0.00 0.00 43.02 41.54 3h0c s PHE 387 CO 0.08 0.60 -0.20 -0.65 0.70 0.00 0.00 175.22 175.75 3h0c s GLN 388 N -1.52 3.07 0.27 0.44 -0.21 -1.26 -1.74 119.66 118.70 3h0c s GLN 388 Ca 0.21 -0.82 -0.01 0.00 0.02 0.00 0.00 55.36 54.75 3h0c s GLN 388 Cb -0.12 -2.51 0.59 0.00 1.00 0.00 0.00 33.01 31.97 3h0c s GLN 388 CO 0.11 -0.04 1.67 0.82 -2.12 0.00 0.00 175.29 175.73 3h0c h ILE 389 N 5.80 0.41 -0.02 1.08 5.03 -1.78 0.15 117.51 128.18 3h0c h ILE 389 Ca -0.34 -0.09 0.00 0.00 -0.12 0.00 0.00 64.86 64.31 3h0c h ILE 389 Cb 1.18 0.14 0.00 0.00 -3.03 0.00 0.00 36.82 35.12 3h0c h ILE 389 CO 0.57 0.05 -0.09 0.47 -0.68 0.00 0.00 178.15 178.46 3h0c n ASP 390 N -5.19 1.68 -4.89 1.72 8.00 -1.26 -4.68 116.55 111.94 3h0c n ASP 390 Ca 0.18 -1.45 -0.33 0.00 0.71 0.00 0.00 54.79 53.90 3h0c n ASP 390 Cb 0.57 0.06 -0.05 0.00 -0.02 0.00 0.00 41.12 41.68 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 -2.14 3.37 -0.01 -1.24 -0.14 0.51 -5.04 119.74 115.04 3h0c s LYS 391 Ca 0.32 -0.38 -0.23 0.00 -1.36 0.00 0.00 55.97 54.32 3h0c s LYS 391 Cb 0.20 -3.04 -0.19 0.00 -1.68 0.00 0.00 37.83 33.12 3h0c s LYS 391 CO 0.39 0.65 1.21 1.57 -0.76 0.00 0.00 175.35 178.41 3h0c h LYS 392 N 3.69 0.21 -5.99 1.68 5.09 -1.90 -3.41 116.57 115.93 3h0c h LYS 392 Ca -0.48 -0.14 -0.56 0.00 0.09 0.00 0.00 60.65 59.55 3h0c h LYS 392 Cb 1.18 0.02 -0.05 0.00 0.10 0.00 0.00 32.23 33.48 3h0c h LYS 392 CO 0.69 0.75 -0.33 -0.51 -2.09 0.00 0.00 179.45 177.96 3h0c s ASP 393 N -6.10 4.69 0.38 7.07 1.01 -1.26 -5.00 116.67 117.46 3h0c s ASP 393 Ca -0.15 -1.13 0.08 0.00 0.71 0.00 0.00 52.55 52.06 3h0c s ASP 393 Cb 0.03 0.13 -0.07 0.00 1.01 0.00 0.00 42.92 44.02 3h0c s ASP 393 CO 0.73 -0.97 -0.04 0.00 0.21 0.00 0.00 175.17 175.11 3h0c s THR 395 N -2.66 2.07 -0.01 0.00 2.01 -0.79 -4.88 115.64 111.39 3h0c s THR 395 Ca 0.34 -1.07 -0.27 0.00 0.31 0.00 0.00 61.69 61.00 3h0c s THR 395 Cb 0.06 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 3h0c s THR 395 CO 0.17 0.57 0.86 -0.36 -0.69 0.00 0.00 174.62 175.17 3h0c s PHE 396 N -0.26 3.65 -0.16 4.92 0.08 -1.26 -0.39 117.98 124.56 3h0c s PHE 396 Ca -0.01 1.52 0.17 0.00 0.12 0.00 0.00 56.93 58.74 3h0c s PHE 396 Cb -0.13 -2.97 -0.24 0.00 -0.57 0.00 0.00 43.02 39.11 3h0c s PHE 396 CO 0.03 0.07 0.12 -0.89 -0.10 0.00 0.00 175.22 174.45 3h0c n ILE 397 N 3.67 1.08 -4.47 0.64 -0.00 -0.96 -4.96 119.36 114.36 3h0c n ILE 397 Ca 0.02 -0.73 -0.24 0.00 -0.00 0.00 0.00 62.75 61.80 3h0c n ILE 397 Cb 0.51 -0.42 -0.10 0.00 -0.00 0.00 0.00 39.64 39.62 3h0c n ILE 397 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 3h0c s THR 398 N -2.59 2.49 0.25 1.39 -4.23 -1.26 -4.89 115.64 106.81 3h0c s THR 398 Ca -0.09 -2.39 -0.22 0.00 -1.18 0.00 0.00 61.69 57.82 3h0c s THR 398 Cb 0.07 -2.30 0.03 0.00 1.34 0.00 0.00 72.50 71.64 3h0c s THR 398 CO 0.77 -0.39 0.76 -1.59 -0.54 0.00 0.00 174.62 173.63 3h0c s LYS 399 N -3.47 1.66 0.00 3.99 -2.85 -1.26 -4.67 119.74 113.14 3h0c s LYS 399 Ca 0.30 -0.91 0.00 0.00 -1.00 0.00 0.00 55.97 54.36 3h0c s LYS 399 Cb -0.05 0.57 0.00 0.00 -2.06 0.00 0.00 37.83 36.29 3h0c s LYS 399 CO 0.15 -0.76 0.00 0.41 0.10 0.00 0.00 175.35 175.25 3h0c n GLY 400 N -0.46 1.99 2.38 0.59 0.00 -1.26 -4.86 105.19 103.57 3h0c n GLY 400 Ca -0.05 -2.11 -0.39 0.00 0.00 0.00 0.00 46.02 43.47 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 -1.27 4.68 -3.93 2.61 -2.24 -1.26 -4.82 114.28 108.05 3h0c n THR 401 Ca 0.00 -3.31 -0.10 0.00 -2.27 0.00 0.00 64.05 58.37 3h0c n THR 401 Cb 0.00 -2.36 -0.02 0.00 -2.10 0.00 0.00 70.33 65.85 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 0.68 0.40 0.08 4.78 1.48 -1.26 -5.03 118.94 120.06 3h0c s TRP 402 Ca 0.63 -0.85 0.07 0.00 -1.06 0.00 0.00 56.10 54.89 3h0c s TRP 402 Cb 0.19 0.42 -0.03 0.00 -1.16 0.00 0.00 33.47 32.89 3h0c s TRP 402 CO -0.08 -1.28 -0.18 -1.21 -4.06 0.00 0.00 176.95 170.14 3h0c s GLU 403 N -3.10 1.05 0.04 3.25 2.02 -1.26 -4.45 118.70 116.25 3h0c s GLU 403 Ca 0.21 -1.04 -0.30 0.00 0.02 0.00 0.00 54.97 53.85 3h0c s GLU 403 Cb -0.03 -1.21 -0.04 0.00 0.10 0.00 0.00 34.13 32.95 3h0c s GLU 403 CO 0.13 0.28 1.02 0.08 0.02 0.00 0.00 175.26 176.79 3h0c s VAL 404 N -1.12 4.61 -0.05 2.63 1.01 -0.56 -2.69 120.40 124.22 3h0c s VAL 404 Ca 0.04 1.94 -0.18 0.00 0.00 0.00 0.00 61.98 63.78 3h0c s VAL 404 Cb -0.10 -4.24 -0.31 0.00 0.00 0.00 0.00 36.38 31.73 3h0c s VAL 404 CO 0.03 0.19 0.78 0.40 0.00 0.00 0.00 175.10 176.50 3h0c h ILE 405 N 4.54 1.25 -1.34 2.22 1.08 -0.65 -3.46 117.51 121.15 3h0c h ILE 405 Ca -0.42 -2.52 0.14 0.00 -0.39 0.00 0.00 64.86 61.67 3h0c h ILE 405 Cb 1.22 2.97 -0.30 0.00 -3.07 0.00 0.00 36.82 37.64 3h0c h ILE 405 CO 0.75 0.75 0.61 -0.83 -0.69 0.00 0.00 178.15 178.73 3h0c s GLY 406 N -4.71 0.17 0.18 5.37 0.00 -1.14 -5.00 107.32 102.18 3h0c s GLY 406 Ca -0.15 3.24 -0.30 0.00 0.00 0.00 0.00 44.72 47.51 3h0c s GLY 406 CO 0.84 2.22 1.23 -0.42 0.00 0.00 0.00 173.10 176.97 3h0c s ILE 407 N 0.60 3.50 -0.03 0.90 1.01 -1.26 -1.58 121.20 124.33 3h0c s ILE 407 Ca -0.01 1.24 0.00 0.00 0.00 0.00 0.00 60.65 61.88 3h0c s ILE 407 Cb -0.04 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 3h0c s ILE 407 CO -0.12 0.19 -0.03 -0.62 0.00 0.00 0.00 174.94 174.36 3h0c n GLU 408 N 2.65 0.11 -3.73 2.79 -0.58 0.96 -4.97 120.64 117.86 3h0c n GLU 408 Ca 0.05 0.02 -0.10 0.00 -0.42 0.00 0.00 57.16 56.71 3h0c n GLU 408 Cb 0.44 -1.07 -0.06 0.00 -0.57 0.00 0.00 31.44 30.18 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 -2.07 -0.67 -0.10 0.62 0.00 -1.10 -4.89 121.76 113.56 3h0c s ALA 409 Ca -0.05 -0.17 -0.06 0.00 0.00 0.00 0.00 51.96 51.69 3h0c s ALA 409 Cb 0.01 0.51 0.04 0.00 0.00 0.00 0.00 23.12 23.68 3h0c s ALA 409 CO 0.08 -0.53 0.25 -1.17 0.00 0.00 0.00 175.76 174.38 3h0c s LEU 410 N -2.56 0.48 0.00 0.00 2.96 -1.26 -1.15 118.68 117.15 3h0c s LEU 410 Ca 0.01 0.52 0.00 0.00 -0.22 0.00 0.00 54.13 54.44 3h0c s LEU 410 Cb 0.02 0.75 -0.00 0.00 0.50 0.00 0.00 46.19 47.45 3h0c s LEU 410 CO -0.09 -0.16 0.00 0.35 -1.32 0.00 0.00 176.35 175.14 3h0c n THR 411 N 4.09 0.00 0.20 3.68 -2.24 -0.34 -4.83 114.28 114.84 3h0c n THR 411 Ca -0.24 -0.19 0.07 0.00 -2.27 0.00 0.00 64.05 61.43 3h0c n THR 411 Cb 0.54 0.05 0.40 0.00 -2.10 0.00 0.00 70.33 69.21 3h0c n THR 411 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3h0c h SER 412 N 0.11 0.00 0.00 3.42 4.64 -2.01 -3.35 113.55 116.35 3h0c h SER 412 Ca -0.03 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.99 3h0c h SER 412 Cb 0.10 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.13 3h0c h SER 412 CO 0.05 0.31 -2.24 0.47 -0.87 0.00 0.00 176.83 174.55 3h0c n ASP 413 N -3.52 0.40 -3.87 4.97 8.00 -1.26 -4.82 116.55 116.44 3h0c n ASP 413 Ca -0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.38 3h0c n ASP 413 Cb 0.46 1.07 -0.11 0.00 -0.02 0.00 0.00 41.12 42.53 3h0c n ASP 413 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3h0c s TYR 414 N -2.56 0.01 -0.09 1.24 2.02 -1.26 -1.56 117.35 115.15 3h0c s TYR 414 Ca -0.09 -0.04 0.01 0.00 -0.37 0.00 0.00 57.07 56.58 3h0c s TYR 414 Cb 0.06 -0.04 -0.02 0.00 -0.40 0.00 0.00 41.96 41.56 3h0c s TYR 414 CO 0.77 -0.22 -0.11 -1.17 -1.57 0.00 0.00 175.55 173.25 3h0c s LEU 415 N -1.02 2.90 -0.13 -1.29 0.20 -1.02 -1.20 118.68 117.12 3h0c s LEU 415 Ca -0.11 -0.19 -0.01 0.00 0.69 0.00 0.00 54.13 54.51 3h0c s LEU 415 Cb -0.06 -1.63 -0.02 0.00 -0.43 0.00 0.00 46.19 44.05 3h0c s LEU 415 CO 0.01 0.27 -0.11 -0.31 -0.29 0.00 0.00 176.35 175.91 3h0c s TYR 416 N -0.24 2.85 0.04 5.38 1.51 -0.30 -1.56 117.35 125.02 3h0c s TYR 416 Ca 0.02 -0.55 -0.02 0.00 -1.01 0.00 0.00 57.07 55.51 3h0c s TYR 416 Cb -0.13 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.84 3h0c s TYR 416 CO 0.03 -0.16 0.01 1.52 -1.11 0.00 0.00 175.55 175.84 3h0c s TYR 417 N 0.29 0.35 -0.10 2.71 1.13 -1.00 -0.03 117.35 120.70 3h0c s TYR 417 Ca -0.09 -0.75 -0.11 0.00 -1.41 0.00 0.00 57.07 54.72 3h0c s TYR 417 Cb -0.15 -0.26 -0.05 0.00 -1.10 0.00 0.00 41.96 40.40 3h0c s TYR 417 CO 0.05 -0.32 0.24 0.42 -2.51 0.00 0.00 175.55 173.43 3h0c s ILE 418 N -2.84 5.33 0.22 -3.49 1.01 -0.62 -0.26 121.20 120.54 3h0c s ILE 418 Ca -0.03 0.45 -0.07 0.00 0.00 0.00 0.00 60.65 61.00 3h0c s ILE 418 Cb 0.00 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 3h0c s ILE 418 CO -0.06 0.55 0.30 -0.94 0.00 0.00 0.00 174.94 174.79 3h0c s SER 419 N -0.63 0.03 -0.32 3.58 1.04 -0.26 0.14 113.70 117.29 3h0c s SER 419 Ca 0.17 -1.13 0.10 0.00 0.48 0.00 0.00 55.95 55.56 3h0c s SER 419 Cb -0.13 0.48 0.63 0.00 0.10 0.00 0.00 66.02 67.09 3h0c s SER 419 CO 0.06 -0.98 1.67 -0.46 0.98 0.00 0.00 173.24 174.51 3h0c n ASN 420 N -0.32 3.80 -0.23 7.02 2.04 -1.10 -1.47 115.26 125.01 3h0c n ASN 420 Ca -0.00 -3.42 -0.05 0.00 -0.44 0.00 0.00 54.58 50.66 3h0c n ASN 420 Cb 0.64 -0.70 0.11 0.00 -2.53 0.00 0.00 39.78 37.30 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 1.72 1.06 -6.37 -3.83 4.81 -1.84 -3.36 114.58 106.77 3h0c h GLU 421 Ca 0.29 -0.20 -0.62 0.00 -0.13 0.00 0.00 59.36 58.69 3h0c h GLU 421 Cb 2.11 -0.17 0.04 0.00 0.63 0.00 0.00 28.75 31.37 3h0c h GLU 421 CO 0.63 0.89 0.83 0.98 -0.73 0.00 0.00 179.01 181.61 3h0c n TYR 422 N -4.27 2.15 -0.89 0.92 9.36 -1.26 -1.71 117.16 121.46 3h0c n TYR 422 Ca 0.06 0.27 -0.05 0.00 3.32 0.00 0.00 57.90 61.51 3h0c n TYR 422 Cb 0.20 -2.54 -0.02 0.00 -0.63 0.00 0.00 39.34 36.36 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 4.34 -1.72 -1.03 2.98 5.02 -1.26 -2.28 118.16 124.22 3h0c n LYS 423 Ca 0.20 0.46 -0.01 0.00 -2.02 0.00 0.00 58.31 56.94 3h0c n LYS 423 Cb 0.26 -4.35 -0.00 0.00 -0.02 0.00 0.00 35.03 30.92 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 0.27 0.47 3.55 0.72 0.00 -0.69 -5.00 105.19 104.50 3h0c n GLY 424 Ca -0.05 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.86 3.49 0.46 1.61 -1.94 -0.97 -4.95 119.30 116.15 3h0c s MET 425 Ca 0.00 -0.10 0.21 0.00 -1.71 0.00 0.00 55.69 54.09 3h0c s MET 425 Cb 0.00 -3.88 1.10 0.00 2.01 0.00 0.00 34.83 34.06 3h0c s MET 425 CO 0.00 -0.92 1.95 -1.35 -0.01 0.00 0.00 175.02 174.70 3h0c h PRO 426 N 8.71 0.00 -0.50 2.03 0.11 -1.90 -2.52 132.00 137.94 3h0c h PRO 426 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3h0c h PRO 426 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3h0c h PRO 426 CO 0.89 0.22 0.00 0.41 -0.21 0.00 0.00 178.00 179.31 3h0c n GLY 427 N -0.54 1.30 3.89 -0.55 0.00 -1.26 -4.84 105.19 103.19 3h0c n GLY 427 Ca -0.02 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.89 1.85 -0.04 -0.02 0.00 -0.95 -2.07 107.32 105.20 3h0c s GLY 428 Ca 0.30 -1.03 -0.00 0.00 0.00 0.00 0.00 44.72 43.99 3h0c s GLY 428 CO 0.18 -1.02 0.01 0.50 0.00 0.00 0.00 173.10 172.76 3h0c s ARG 429 N -2.96 0.29 0.03 2.90 3.00 0.21 -4.24 118.95 118.18 3h0c s ARG 429 Ca 0.33 0.13 -0.03 0.00 0.00 0.00 0.00 55.73 56.16 3h0c s ARG 429 Cb -0.11 -0.55 -0.02 0.00 0.00 0.00 0.00 34.95 34.26 3h0c s ARG 429 CO 0.27 -0.19 0.03 -0.80 0.00 0.00 0.00 175.30 174.61 3h0c s ASN 430 N 1.33 0.26 -0.06 0.23 0.01 -0.54 -1.12 114.94 115.05 3h0c s ASN 430 Ca -0.05 -0.61 -0.16 0.00 -0.71 0.00 0.00 52.86 51.33 3h0c s ASN 430 Cb -0.13 0.18 -0.05 0.00 0.41 0.00 0.00 41.25 41.66 3h0c s ASN 430 CO -0.02 -0.45 0.41 -0.22 -1.51 0.00 0.00 177.10 175.31 3h0c s LEU 431 N -2.04 4.38 0.30 0.60 2.96 -1.26 -1.10 118.68 122.52 3h0c s LEU 431 Ca -0.07 0.85 0.04 0.00 -0.22 0.00 0.00 54.13 54.73 3h0c s LEU 431 Cb -0.02 -2.59 -0.06 0.00 0.50 0.00 0.00 46.19 44.02 3h0c s LEU 431 CO -0.04 0.20 0.04 -0.31 -1.32 0.00 0.00 176.35 174.92 3h0c s TYR 432 N -0.35 1.85 -0.11 5.38 1.51 0.63 -1.02 117.35 125.25 3h0c s TYR 432 Ca 0.23 -0.96 -0.04 0.00 -1.01 0.00 0.00 57.07 55.29 3h0c s TYR 432 Cb -0.16 -1.17 0.06 0.00 -0.11 0.00 0.00 41.96 40.58 3h0c s TYR 432 CO 0.11 -0.02 0.21 0.21 -1.11 0.00 0.00 175.55 174.96 3h0c s LYS 433 N -3.89 0.10 -0.23 -0.62 2.20 0.09 -2.37 119.74 115.01 3h0c s LYS 433 Ca 0.35 0.64 -0.06 0.00 -0.36 0.00 0.00 55.97 56.54 3h0c s LYS 433 Cb 0.08 -0.19 -0.03 0.00 -1.51 0.00 0.00 37.83 36.19 3h0c s LYS 433 CO 0.14 -0.31 0.03 0.42 -0.36 0.00 0.00 175.35 175.27 3h0c s ILE 434 N 2.36 4.11 -0.02 5.43 1.01 -0.60 -1.08 121.20 132.41 3h0c s ILE 434 Ca 0.02 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.12 3h0c s ILE 434 Cb -0.12 -2.89 -0.06 0.00 0.01 0.00 0.00 42.46 39.40 3h0c s ILE 434 CO -0.07 0.38 1.55 -1.58 0.00 0.00 0.00 174.94 175.22 3h0c s GLN 435 N 1.35 4.22 0.39 2.79 0.74 -0.91 -2.44 119.66 125.79 3h0c s GLN 435 Ca 0.05 2.12 0.21 0.00 0.05 0.00 0.00 55.36 57.79 3h0c s GLN 435 Cb -0.15 -3.76 0.61 0.00 1.10 0.00 0.00 33.01 30.82 3h0c s GLN 435 CO 0.02 -0.73 1.69 -0.07 -0.55 0.00 0.00 175.29 175.65 3h0c h LEU 436 N 9.24 0.00 -0.19 3.68 3.38 -1.60 -2.88 115.31 126.93 3h0c h LEU 436 Ca -0.39 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 3h0c h LEU 436 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3h0c h LEU 436 CO 0.93 0.31 -0.49 0.77 0.09 0.00 0.00 178.44 180.05 3h0c h SER 437 N 0.00 0.00 -3.09 -0.43 4.64 -1.91 -3.42 113.55 109.35 3h0c h SER 437 Ca -0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.80 3h0c h SER 437 Cb 0.96 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.65 3h0c h SER 437 CO 0.04 0.49 -0.76 -0.62 -0.87 0.00 0.00 176.83 175.10 3h0c s ASP 438 N -6.45 3.07 0.57 4.97 -1.08 -1.09 -5.02 116.67 111.64 3h0c s ASP 438 Ca 0.03 -0.99 0.34 0.00 -0.52 0.00 0.00 52.55 51.41 3h0c s ASP 438 Cb 0.08 -0.48 1.64 0.00 -1.46 0.00 0.00 42.92 42.70 3h0c s ASP 438 CO 0.73 -0.36 2.10 1.88 0.52 0.00 0.00 175.17 180.04 3h0c h TYR 439 N 8.31 0.00 0.00 -5.34 0.05 -1.82 -2.32 116.97 115.85 3h0c h TYR 439 Ca -0.16 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.62 3h0c h TYR 439 Cb 1.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.83 3h0c h TYR 439 CO 0.26 0.05 0.00 1.79 -1.05 0.00 0.00 178.16 179.21 3h0c h THR 440 N 0.00 0.00 -2.21 -2.88 1.35 -1.90 -3.41 112.91 103.86 3h0c h THR 440 Ca -0.00 -0.66 -0.61 0.00 -0.55 0.00 0.00 66.41 64.59 3h0c h THR 440 Cb 0.35 1.64 -0.12 0.00 -1.73 0.00 0.00 68.15 68.28 3h0c h THR 440 CO 0.01 0.00 0.93 -0.54 -0.25 0.00 0.00 175.52 175.67 3h0c s LYS 441 N -3.19 3.32 -0.18 4.72 -0.14 -0.87 -4.97 119.74 118.43 3h0c s LYS 441 Ca 0.08 -0.91 0.01 0.00 -1.36 0.00 0.00 55.97 53.79 3h0c s LYS 441 Cb 0.09 -4.58 0.03 0.00 -1.68 0.00 0.00 37.83 31.69 3h0c s LYS 441 CO 0.61 -1.98 -0.15 0.08 -0.76 0.00 0.00 175.35 173.15 3h0c s VAL 442 N 4.43 1.76 -0.17 3.17 1.01 -1.26 -2.14 120.40 127.21 3h0c s VAL 442 Ca 0.32 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 3h0c s VAL 442 Cb -0.09 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3h0c s VAL 442 CO 0.03 0.38 0.04 -0.89 0.00 0.00 0.00 175.10 174.67 3h0c s THR 443 N 1.39 4.62 -0.04 3.92 2.01 -0.25 -4.93 115.64 122.37 3h0c s THR 443 Ca 0.03 -0.10 -0.28 0.00 0.31 0.00 0.00 61.69 61.65 3h0c s THR 443 Cb -0.14 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.28 3h0c s THR 443 CO -0.10 0.48 0.90 0.00 -0.69 0.00 0.00 174.62 175.21 3h0c n LEU 445 N 4.04 0.72 0.00 0.00 4.77 -0.19 -4.62 117.00 121.73 3h0c n LEU 445 Ca 0.04 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 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 0.51 0.18 -0.12 -1.54 -1.33 0.00 0.00 177.39 175.09 3h0c n SER 446 N -1.62 1.16 -0.24 -1.43 3.41 -1.23 -4.78 113.62 108.88 3h0c n SER 446 Ca 0.02 -0.26 -0.00 0.00 -0.26 0.00 0.00 58.87 58.37 3h0c n SER 446 Cb 0.35 0.75 0.12 0.00 -0.26 0.00 0.00 64.21 65.17 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 -4.82 1.84 -0.12 0.00 -0.58 -1.26 -4.13 120.64 111.57 3h0c n GLU 448 Ca 0.10 -1.78 0.00 0.00 -0.42 0.00 0.00 57.16 55.06 3h0c n GLU 448 Cb 0.22 -1.37 0.28 0.00 -0.57 0.00 0.00 31.44 29.99 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 3.55 0.71 -5.24 -4.62 3.38 -1.85 -3.39 115.31 107.84 3h0c h LEU 449 Ca 0.00 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3h0c h LEU 449 Cb 0.79 -0.18 -0.17 0.00 0.09 0.00 0.00 40.66 41.20 3h0c h LEU 449 CO 0.00 0.59 -0.22 0.21 0.09 0.00 0.00 178.44 179.11 3h0c s ASN 450 N -6.54 -0.67 0.32 -0.43 3.84 -1.26 -5.07 114.94 105.13 3h0c s ASN 450 Ca -0.10 -0.54 0.00 0.00 0.21 0.00 0.00 52.86 52.43 3h0c s ASN 450 Cb 0.17 0.86 0.54 0.00 -0.55 0.00 0.00 41.25 42.26 3h0c s ASN 450 CO 0.77 -0.05 1.97 1.55 -2.79 0.00 0.00 177.10 178.55 3h0c h PRO 451 N 5.22 0.93 -0.18 0.43 0.13 -1.77 0.67 132.00 137.43 3h0c h PRO 451 Ca 0.00 -0.07 -0.13 0.00 -0.87 0.00 0.00 66.00 64.93 3h0c h PRO 451 Cb 1.19 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 3h0c h PRO 451 CO -0.05 0.64 -0.45 0.93 -0.23 0.00 0.00 178.00 178.84 3h0c h GLU 452 N 0.95 0.46 0.00 0.86 5.08 -1.97 -3.35 114.58 116.60 3h0c h GLU 452 Ca 0.25 -0.25 -0.22 0.00 -1.00 0.00 0.00 59.36 58.15 3h0c h GLU 452 Cb -0.06 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 3h0c h GLU 452 CO -0.05 0.82 -2.19 -2.13 -1.00 0.00 0.00 179.01 174.46 3h0c n ARG 453 N -4.00 0.67 -3.84 2.33 0.63 -1.13 -4.58 116.66 106.74 3h0c n ARG 453 Ca -0.02 -0.07 -0.29 0.00 -0.92 0.00 0.00 57.85 56.55 3h0c n ARG 453 Cb 0.53 -1.53 -0.16 0.00 0.45 0.00 0.00 32.46 31.75 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 4.83 0.02 -3.64 0.00 6.02 0.30 -4.52 117.38 120.40 3h0c n GLN 455 Ca -0.09 -0.23 -0.27 0.00 -0.01 0.00 0.00 57.00 56.40 3h0c n GLN 455 Cb 0.45 -0.56 -0.16 0.00 1.02 0.00 0.00 30.24 30.99 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 -0.04 0.57 0.12 1.08 6.14 -1.19 -0.62 117.35 123.42 3h0c s TYR 456 Ca 0.00 -0.72 0.10 0.00 0.64 0.00 0.00 57.07 57.09 3h0c s TYR 456 Cb 0.00 -0.92 -0.04 0.00 0.42 0.00 0.00 41.96 41.42 3h0c s TYR 456 CO 0.00 -0.65 -0.23 0.71 0.64 0.00 0.00 175.55 176.02 3h0c s TYR 457 N 2.01 2.40 0.25 4.97 2.02 -0.28 -1.02 117.35 127.70 3h0c s TYR 457 Ca 0.04 -0.33 0.02 0.00 -0.37 0.00 0.00 57.07 56.42 3h0c s TYR 457 Cb -0.16 -1.30 -0.05 0.00 -0.40 0.00 0.00 41.96 40.05 3h0c s TYR 457 CO -0.17 0.35 0.07 -1.54 -1.57 0.00 0.00 175.55 172.68 3h0c s SER 458 N -2.05 1.39 0.01 2.29 1.04 -0.64 -4.61 113.70 111.14 3h0c s SER 458 Ca 0.15 -1.33 -0.06 0.00 0.48 0.00 0.00 55.95 55.19 3h0c s SER 458 Cb -0.10 0.11 -0.00 0.00 0.10 0.00 0.00 66.02 66.13 3h0c s SER 458 CO 0.07 -0.67 0.11 0.54 0.98 0.00 0.00 173.24 174.28 3h0c s VAL 459 N -3.65 0.09 -0.07 5.02 0.11 -1.26 -1.32 120.40 119.32 3h0c s VAL 459 Ca 0.34 -0.76 -0.00 0.00 -2.93 0.00 0.00 61.98 58.63 3h0c s VAL 459 Cb 0.07 -0.45 0.02 0.00 -1.53 0.00 0.00 36.38 34.50 3h0c s VAL 459 CO 0.12 -0.42 -0.03 -0.55 -3.33 0.00 0.00 175.10 170.89 3h0c s SER 460 N -1.47 1.44 -0.09 3.54 0.15 -0.79 -5.00 113.70 111.48 3h0c s SER 460 Ca -0.14 -0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.36 3h0c s SER 460 Cb -0.07 -0.52 -0.03 0.00 -1.71 0.00 0.00 66.02 63.69 3h0c s SER 460 CO 0.01 -0.12 -0.04 -0.36 1.20 0.00 0.00 173.24 173.92 3h0c s PHE 461 N 1.50 3.03 1.05 3.44 0.08 -1.26 -0.85 117.98 124.97 3h0c s PHE 461 Ca -0.02 0.03 -0.12 0.00 0.12 0.00 0.00 56.93 56.94 3h0c s PHE 461 Cb -0.13 -1.78 0.22 0.00 -0.57 0.00 0.00 43.02 40.76 3h0c s PHE 461 CO -0.03 0.32 1.07 -1.54 -0.10 0.00 0.00 175.22 174.93 3h0c s SER 462 N -0.64 1.94 0.28 1.36 1.04 0.56 -4.86 113.70 113.37 3h0c s SER 462 Ca 0.10 1.61 -0.30 0.00 0.48 0.00 0.00 55.95 57.84 3h0c s SER 462 Cb -0.12 -2.28 -0.13 0.00 0.10 0.00 0.00 66.02 63.59 3h0c s SER 462 CO 0.02 -3.62 1.25 0.29 0.98 0.00 0.00 173.24 172.16 3h0c n LYS 463 N -4.54 1.81 -1.89 4.02 5.02 -0.91 -1.12 118.16 120.56 3h0c n LYS 463 Ca 0.06 0.64 -0.17 0.00 -2.02 0.00 0.00 58.31 56.82 3h0c n LYS 463 Cb 0.54 -2.19 -0.04 0.00 -0.02 0.00 0.00 35.03 33.32 3h0c n LYS 463 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3h0c n GLU 464 N 1.23 -1.62 -4.19 1.97 1.02 -1.26 -3.55 120.64 114.25 3h0c n GLU 464 Ca 0.09 0.91 -0.31 0.00 -0.02 0.00 0.00 57.16 57.84 3h0c n GLU 464 Cb 0.32 -5.36 -0.06 0.00 -0.02 0.00 0.00 31.44 26.32 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 -0.40 -1.81 0.11 0.62 0.00 -0.28 -4.84 120.51 113.91 3h0c n ALA 465 Ca -0.18 -0.27 -0.19 0.00 0.00 0.00 0.00 53.44 52.79 3h0c n ALA 465 Cb 0.59 -1.66 -0.15 0.00 0.00 0.00 0.00 19.45 18.23 3h0c n ALA 465 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3h0c h LYS 466 N -1.67 0.35 -4.64 0.00 3.64 -1.75 -3.43 116.57 109.07 3h0c h LYS 466 Ca -0.63 -0.61 -0.27 0.00 -1.27 0.00 0.00 60.65 57.87 3h0c h LYS 466 Cb 1.39 0.23 -0.20 0.00 -0.41 0.00 0.00 32.23 33.24 3h0c h LYS 466 CO 0.71 1.27 -0.73 0.71 -2.27 0.00 0.00 179.45 179.14 3h0c s TYR 467 N -2.63 0.76 0.00 1.91 1.51 -1.26 -1.31 117.35 116.33 3h0c s TYR 467 Ca -0.07 -0.59 0.01 0.00 -1.01 0.00 0.00 57.07 55.41 3h0c s TYR 467 Cb 0.06 -0.45 -0.01 0.00 -0.11 0.00 0.00 41.96 41.46 3h0c s TYR 467 CO 0.89 -0.09 -0.04 1.52 -1.11 0.00 0.00 175.55 176.73 3h0c s TYR 468 N -1.90 0.37 -0.22 2.71 1.13 -1.02 -0.33 117.35 118.09 3h0c s TYR 468 Ca -0.04 -0.12 -0.15 0.00 -1.41 0.00 0.00 57.07 55.35 3h0c s TYR 468 Cb -0.06 -0.24 -0.04 0.00 -1.10 0.00 0.00 41.96 40.52 3h0c s TYR 468 CO -0.01 -0.02 0.35 -1.14 -2.51 0.00 0.00 175.55 172.23 3h0c s GLN 469 N -0.28 4.12 0.05 -3.49 0.74 -0.03 -1.14 119.66 119.62 3h0c s GLN 469 Ca -0.00 0.08 -0.10 0.00 0.05 0.00 0.00 55.36 55.40 3h0c s GLN 469 Cb -0.03 -3.57 -0.05 0.00 1.10 0.00 0.00 33.01 30.46 3h0c s GLN 469 CO -0.00 -0.08 0.37 -0.51 -0.55 0.00 0.00 175.29 174.52 3h0c s LEU 470 N 1.46 4.37 -0.26 3.68 1.43 -0.68 -1.89 118.68 126.79 3h0c s LEU 470 Ca 0.16 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.01 3h0c s LEU 470 Cb -0.15 -2.86 0.07 0.00 0.03 0.00 0.00 46.19 43.29 3h0c s LEU 470 CO 0.08 0.21 0.01 -0.60 0.23 0.00 0.00 176.35 176.28 3h0c s ARG 471 N -1.78 1.21 0.19 1.70 3.52 -0.44 -2.09 118.95 121.26 3h0c s ARG 471 Ca 0.31 -1.02 -0.25 0.00 -0.13 0.00 0.00 55.73 54.63 3h0c s ARG 471 Cb -0.14 -2.43 -0.08 0.00 -1.56 0.00 0.00 34.95 30.74 3h0c s ARG 471 CO 0.17 -0.74 0.80 0.00 -0.81 0.00 0.00 175.30 174.72 3h0c n SER 473 N 1.44 4.39 -3.85 0.00 7.64 -0.19 -2.98 113.62 120.07 3h0c n SER 473 Ca -0.04 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.86 3h0c n SER 473 Cb 0.49 0.73 0.01 0.00 -1.01 0.00 0.00 64.21 64.43 3h0c n SER 473 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3h0c s GLY 474 N -2.09 -0.12 0.16 0.23 0.00 -1.26 -1.19 107.32 103.04 3h0c s GLY 474 Ca 0.00 0.01 0.25 0.00 0.00 0.00 0.00 44.72 44.98 3h0c s GLY 474 CO 0.00 5.95 1.76 -1.55 0.00 0.00 0.00 173.10 179.26 3h0c n PRO 475 N -0.93 0.16 -0.20 2.90 -0.04 -0.90 -0.54 135.00 135.46 3h0c n PRO 475 Ca 0.04 0.23 -0.01 0.00 -0.04 0.00 0.00 63.50 63.72 3h0c n PRO 475 Cb 0.58 -1.73 0.01 0.00 -0.04 0.00 0.00 33.50 32.33 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 0.87 -0.80 3.77 0.55 0.00 -0.40 -4.46 105.19 104.73 3h0c n GLY 476 Ca 0.05 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 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 4.10 0.47 0.99 1.43 -1.26 -4.53 118.68 119.87 3h0c s LEU 477 Ca 0.03 2.47 -0.24 0.00 -1.03 0.00 0.00 54.13 55.37 3h0c s LEU 477 Cb -0.00 -4.09 -0.08 0.00 0.03 0.00 0.00 46.19 42.04 3h0c s LEU 477 CO 0.02 -0.92 1.20 -2.65 0.23 0.00 0.00 176.35 174.24 3h0c n PRO 478 N -0.23 1.65 -3.69 1.29 -0.02 -1.26 -4.83 135.00 127.90 3h0c n PRO 478 Ca 0.06 0.59 -0.21 0.00 -2.02 0.00 0.00 63.50 61.93 3h0c n PRO 478 Cb 0.46 -2.33 -0.18 0.00 -0.02 0.00 0.00 33.50 31.43 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 -1.83 0.24 -0.23 2.45 0.20 -1.16 -4.31 118.68 114.04 3h0c s LEU 479 Ca 0.65 0.04 -0.06 0.00 0.69 0.00 0.00 54.13 55.45 3h0c s LEU 479 Cb -0.49 -0.21 -0.02 0.00 -0.43 0.00 0.00 46.19 45.04 3h0c s LEU 479 CO 0.55 -0.24 0.03 -0.31 -0.29 0.00 0.00 176.35 176.08 3h0c s TYR 480 N 2.13 3.05 0.20 5.38 1.51 0.77 -1.57 117.35 128.82 3h0c s TYR 480 Ca 0.05 -0.52 0.07 0.00 -1.01 0.00 0.00 57.07 55.66 3h0c s TYR 480 Cb -0.12 -2.16 -0.05 0.00 -0.11 0.00 0.00 41.96 39.52 3h0c s TYR 480 CO -0.04 -0.34 -0.13 0.95 -1.11 0.00 0.00 175.55 174.88 3h0c s THR 481 N 1.36 1.67 -0.04 -0.71 -4.23 -0.89 0.23 115.64 113.03 3h0c s THR 481 Ca 0.05 -2.19 0.07 0.00 -1.18 0.00 0.00 61.69 58.43 3h0c s THR 481 Cb -0.15 -2.05 -0.02 0.00 1.34 0.00 0.00 72.50 71.63 3h0c s THR 481 CO 0.02 -0.59 -0.24 -0.22 -0.54 0.00 0.00 174.62 173.04 3h0c s LEU 482 N -3.31 2.13 0.11 4.79 2.96 0.10 -1.68 118.68 123.78 3h0c s LEU 482 Ca 0.22 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 3h0c s LEU 482 Cb -0.00 -1.38 -0.04 0.00 0.50 0.00 0.00 46.19 45.27 3h0c s LEU 482 CO 0.06 0.29 -0.09 -1.00 -1.32 0.00 0.00 176.35 174.29 3h0c s HIS 483 N -0.45 1.09 -0.13 5.38 3.76 -0.29 -0.33 115.29 124.32 3h0c s HIS 483 Ca 0.05 -0.74 -0.03 0.00 -0.15 0.00 0.00 55.06 54.18 3h0c s HIS 483 Cb -0.11 -0.59 -0.03 0.00 1.11 0.00 0.00 32.58 32.96 3h0c s HIS 483 CO 0.01 -0.00 -0.00 0.45 -0.85 0.00 0.00 174.74 174.34 3h0c s SER 484 N -2.82 5.13 0.45 1.40 0.15 -0.68 -2.44 113.70 114.89 3h0c s SER 484 Ca 0.11 0.03 0.25 0.00 0.70 0.00 0.00 55.95 57.04 3h0c s SER 484 Cb 0.01 -1.67 0.88 0.00 -1.71 0.00 0.00 66.02 63.52 3h0c s SER 484 CO -0.01 0.26 1.80 0.28 1.20 0.00 0.00 173.24 176.78 3h0c h SER 485 N 6.02 0.00 0.41 5.45 0.02 -1.47 -1.70 113.55 122.28 3h0c h SER 485 Ca -0.41 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.53 3h0c h SER 485 Cb 1.19 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 3h0c h SER 485 CO 0.60 0.16 -0.50 0.58 -1.14 0.00 0.00 176.83 176.54 3h0c h VAL 486 N 0.00 0.00 0.00 2.27 2.07 -1.91 -3.30 116.25 115.38 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 0.78 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3h0c h VAL 486 CO 0.02 0.00 -0.06 0.59 0.02 0.00 0.00 177.57 178.14 3h0c n ASN 487 N -5.43 2.03 -3.93 0.57 5.03 -1.26 -4.99 115.26 107.28 3h0c n ASN 487 Ca -0.11 -2.89 -0.26 0.00 0.87 0.00 0.00 54.58 52.19 3h0c n ASN 487 Cb 0.44 -0.38 -0.00 0.00 -1.02 0.00 0.00 39.78 38.82 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 -1.21 -1.38 -4.75 6.41 8.00 -0.66 -4.95 116.55 118.02 3h0c n ASP 488 Ca 0.13 -0.94 -0.39 0.00 0.71 0.00 0.00 54.79 54.30 3h0c n ASP 488 Cb 0.63 -3.33 -0.05 0.00 -0.02 0.00 0.00 41.12 38.34 3h0c n ASP 488 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3h0c s LYS 489 N -6.48 4.43 -0.09 -1.24 2.20 -1.11 -4.88 119.74 112.57 3h0c s LYS 489 Ca 0.17 0.92 -0.30 0.00 -0.36 0.00 0.00 55.97 56.41 3h0c s LYS 489 Cb -0.09 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 3h0c s LYS 489 CO 0.87 0.27 1.46 0.20 -0.36 0.00 0.00 175.35 177.78 3h0c s GLY 490 N 0.07 1.63 -0.15 5.54 0.00 -1.26 -1.69 107.32 111.45 3h0c s GLY 490 Ca 0.36 0.74 -0.10 0.00 0.00 0.00 0.00 44.72 45.71 3h0c s GLY 490 CO 0.20 2.74 -0.13 1.04 0.00 0.00 0.00 173.10 176.95 3h0c n LEU 491 N 6.63 1.81 -3.75 0.66 4.77 0.55 -4.98 117.00 122.70 3h0c n LEU 491 Ca 0.15 0.62 -0.13 0.00 -0.03 0.00 0.00 56.01 56.62 3h0c n LEU 491 Cb 0.44 -0.89 -0.10 0.00 -2.33 0.00 0.00 43.42 40.55 3h0c n LEU 491 CO 0.59 -0.39 0.04 -0.60 -1.33 0.00 0.00 177.39 175.70 3h0c s ARG 492 N -2.25 0.54 -0.28 3.23 3.52 -1.15 -5.00 118.95 117.56 3h0c s ARG 492 Ca -0.16 0.20 -0.20 0.00 -0.13 0.00 0.00 55.73 55.43 3h0c s ARG 492 Cb 0.02 0.25 -0.01 0.00 -1.56 0.00 0.00 34.95 33.65 3h0c s ARG 492 CO 0.26 -0.11 0.63 0.08 -0.81 0.00 0.00 175.30 175.35 3h0c s VAL 493 N -0.49 4.96 -0.13 7.11 1.01 -1.26 -0.72 120.40 130.88 3h0c s VAL 493 Ca -0.06 1.01 -0.13 0.00 0.00 0.00 0.00 61.98 62.81 3h0c s VAL 493 Cb -0.04 -3.96 -0.25 0.00 0.00 0.00 0.00 36.38 32.13 3h0c s VAL 493 CO 0.02 -0.05 0.41 -0.07 0.00 0.00 0.00 175.10 175.42 3h0c h LEU 494 N 9.03 0.34 -7.25 3.92 3.38 -0.56 -3.47 115.31 120.71 3h0c h LEU 494 Ca -0.27 -0.84 -0.16 0.00 0.09 0.00 0.00 57.88 56.71 3h0c h LEU 494 Cb 1.12 -0.11 -0.29 0.00 0.09 0.00 0.00 40.66 41.47 3h0c h LEU 494 CO 0.79 1.72 -0.41 -0.70 0.09 0.00 0.00 178.44 179.92 3h0c s GLU 495 N -2.50 0.28 0.00 1.13 2.56 -1.00 -5.00 118.70 114.18 3h0c s GLU 495 Ca -0.22 0.73 0.02 0.00 0.00 0.00 0.00 54.97 55.50 3h0c s GLU 495 Cb 0.06 -0.01 0.02 0.00 2.00 0.00 0.00 34.13 36.19 3h0c s GLU 495 CO 0.74 -0.19 0.54 -0.40 -0.56 0.00 0.00 175.26 175.39 3h0c n ASP 496 N 4.60 1.12 -3.57 -1.70 5.75 -1.26 -0.16 116.55 121.32 3h0c n ASP 496 Ca -0.19 -1.06 -0.25 0.00 -0.01 0.00 0.00 54.79 53.28 3h0c n ASP 496 Cb 0.53 0.08 0.05 0.00 -1.03 0.00 0.00 41.12 40.75 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 0.05 -5.79 0.23 -1.12 3.02 -1.26 -4.83 115.26 105.56 3h0c n ASN 497 Ca 0.01 -0.55 0.13 0.00 -0.03 0.00 0.00 54.58 54.14 3h0c n ASN 497 Cb 0.06 -4.60 0.27 0.00 -0.61 0.00 0.00 39.78 34.90 3h0c n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3h0c h SER 498 N -2.21 0.00 0.41 6.41 4.64 -1.96 -2.53 113.55 118.31 3h0c h SER 498 Ca -0.56 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.67 3h0c h SER 498 Cb 1.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.44 3h0c h SER 498 CO 0.59 0.00 -0.44 0.00 -0.87 0.00 0.00 176.83 176.12 3h0c h ALA 499 N 2.00 1.24 -0.09 5.18 0.00 -1.99 -1.66 119.26 123.93 3h0c h ALA 499 Ca -0.00 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.32 3h0c h ALA 499 Cb 0.91 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3h0c h ALA 499 CO 0.00 0.56 -0.72 1.25 0.00 0.00 0.00 179.25 180.34 3h0c h LEU 500 N 0.04 0.53 -0.40 0.00 6.46 -1.79 -3.19 115.31 116.95 3h0c h LEU 500 Ca -0.00 -0.34 -0.14 0.00 -0.12 0.00 0.00 57.88 57.28 3h0c h LEU 500 Cb 0.79 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 3h0c h LEU 500 CO 0.06 1.09 -0.28 -0.78 -0.62 0.00 0.00 178.44 177.91 3h0c h ASP 501 N 0.31 0.94 -0.44 1.25 3.58 -1.09 0.05 116.42 121.03 3h0c h ASP 501 Ca -0.03 -0.43 -0.06 0.00 0.42 0.00 0.00 57.03 56.93 3h0c h ASP 501 Cb 1.30 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 42.07 3h0c h ASP 501 CO 0.13 1.17 0.05 0.11 -2.88 0.00 0.00 179.24 177.82 3h0c h LYS 502 N 0.72 0.74 -0.89 0.28 1.57 -1.44 -2.61 116.57 114.94 3h0c h LYS 502 Ca 0.08 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3h0c h LYS 502 Cb 0.86 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.04 3h0c h LYS 502 CO 0.08 0.78 0.52 0.52 -0.57 0.00 0.00 179.45 180.78 3h0c h MET 503 N 0.60 1.21 0.00 3.15 2.86 -1.51 -2.91 114.93 118.33 3h0c h MET 503 Ca 0.13 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3h0c h MET 503 Cb 0.41 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.82 3h0c h MET 503 CO 0.01 0.86 0.00 -0.07 1.06 0.00 0.00 176.91 178.77 3h0c h LEU 504 N 1.23 0.00 -1.49 1.22 3.38 -0.83 -2.65 115.31 116.17 3h0c h LEU 504 Ca 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 3h0c h LEU 504 Cb -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3h0c h LEU 504 CO -0.06 0.00 -0.10 1.56 0.09 0.00 0.00 178.44 179.94 3h0c h GLN 505 N 0.00 0.00 -0.01 1.13 4.20 -1.25 -2.97 115.11 116.21 3h0c h GLN 505 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3h0c h GLN 505 Cb 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 3h0c h GLN 505 CO 0.00 0.10 -0.07 0.09 -0.67 0.00 0.00 178.83 178.27 3h0c n ASN 506 N -3.27 0.81 -4.28 1.46 3.02 -1.00 -4.91 115.26 107.08 3h0c n ASN 506 Ca -0.00 -1.01 -0.22 0.00 -0.03 0.00 0.00 54.58 53.32 3h0c n ASN 506 Cb 0.33 -0.01 -0.12 0.00 -0.61 0.00 0.00 39.78 39.37 3h0c n ASN 506 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3h0c s VAL 507 N -2.23 1.64 -1.24 2.41 0.11 -1.12 -3.97 120.40 115.99 3h0c s VAL 507 Ca 0.35 -1.64 -0.17 0.00 -2.93 0.00 0.00 61.98 57.59 3h0c s VAL 507 Cb 0.21 -1.58 0.11 0.00 -1.53 0.00 0.00 36.38 33.58 3h0c s VAL 507 CO 0.41 -0.19 1.60 -1.10 -3.33 0.00 0.00 175.10 172.50 3h0c s GLN 508 N -2.22 3.99 0.23 1.54 -0.21 -0.34 -4.98 119.66 117.68 3h0c s GLN 508 Ca 0.08 -2.15 -0.30 0.00 0.02 0.00 0.00 55.36 53.02 3h0c s GLN 508 Cb -0.08 -5.35 -0.09 0.00 1.00 0.00 0.00 33.01 28.49 3h0c s GLN 508 CO 0.05 -2.08 1.01 -1.64 -2.12 0.00 0.00 175.29 170.51 3h0c s MET 509 N 3.32 4.75 0.84 2.91 -1.94 -1.26 -4.44 119.30 123.47 3h0c s MET 509 Ca 0.49 1.61 -0.12 0.00 -1.71 0.00 0.00 55.69 55.97 3h0c s MET 509 Cb 0.01 -3.26 0.09 0.00 2.01 0.00 0.00 34.83 33.68 3h0c s MET 509 CO 0.04 0.34 1.10 -1.25 -0.01 0.00 0.00 175.02 175.24 3h0c s PRO 510 N -1.05 1.76 0.21 2.03 0.04 -1.26 -4.45 135.00 132.29 3h0c s PRO 510 Ca 0.44 0.60 0.10 0.00 0.04 0.00 0.00 61.00 62.18 3h0c s PRO 510 Cb -0.28 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 3h0c s PRO 510 CO 0.35 -1.84 -0.13 -1.54 0.04 0.00 0.00 177.00 173.88 3h0c s SER 511 N -3.85 4.00 -0.07 6.66 1.04 -0.90 -4.95 113.70 115.63 3h0c s SER 511 Ca 0.62 -0.73 -0.05 0.00 0.48 0.00 0.00 55.95 56.26 3h0c s SER 511 Cb -0.15 -0.56 -0.04 0.00 0.10 0.00 0.00 66.02 65.37 3h0c s SER 511 CO 0.54 0.08 0.16 -0.75 0.98 0.00 0.00 173.24 174.26 3h0c s LYS 512 N -3.05 3.45 -0.18 4.02 2.20 -1.26 -1.06 119.74 123.85 3h0c s LYS 512 Ca 0.26 -0.20 0.01 0.00 -0.36 0.00 0.00 55.97 55.68 3h0c s LYS 512 Cb -0.08 -3.15 0.03 0.00 -1.51 0.00 0.00 37.83 33.12 3h0c s LYS 512 CO 0.15 0.73 -0.16 0.21 -0.36 0.00 0.00 175.35 175.93 3h0c s LYS 513 N -1.41 2.54 -0.25 4.03 2.20 0.34 -4.97 119.74 122.23 3h0c s LYS 513 Ca 0.20 -0.82 -0.02 0.00 -0.36 0.00 0.00 55.97 54.98 3h0c s LYS 513 Cb -0.12 -2.45 0.03 0.00 -1.51 0.00 0.00 37.83 33.77 3h0c s LYS 513 CO 0.10 -0.30 -0.06 -1.17 -0.36 0.00 0.00 175.35 173.57 3h0c s LEU 514 N 1.34 3.21 0.00 5.43 0.20 -1.26 -1.03 118.68 126.57 3h0c s LEU 514 Ca 0.02 -0.87 -0.02 0.00 0.69 0.00 0.00 54.13 53.96 3h0c s LEU 514 Cb -0.14 -1.67 0.01 0.00 -0.43 0.00 0.00 46.19 43.95 3h0c s LEU 514 CO -0.11 -0.13 0.15 -0.67 -0.29 0.00 0.00 176.35 175.31 3h0c n ASP 515 N 4.67 -0.44 -4.28 3.68 -0.08 -1.12 -5.05 116.55 113.93 3h0c n ASP 515 Ca -0.16 -1.48 -0.15 0.00 -1.51 0.00 0.00 54.79 51.48 3h0c n ASP 515 Cb 0.47 0.78 -0.10 0.00 2.34 0.00 0.00 41.12 44.61 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 -5.32 1.39 0.31 -0.67 -0.12 -1.26 -1.50 117.98 110.82 3h0c s PHE 516 Ca 0.07 -0.83 0.05 0.00 -0.05 0.00 0.00 56.93 56.16 3h0c s PHE 516 Cb -0.01 -0.76 -0.06 0.00 -0.63 0.00 0.00 43.02 41.57 3h0c s PHE 516 CO 0.05 0.02 -0.00 0.96 -0.05 0.00 0.00 175.22 176.20 3h0c s ILE 517 N -3.37 1.45 -0.18 -4.49 -4.36 0.15 -4.95 121.20 105.46 3h0c s ILE 517 Ca 0.22 -2.05 -0.08 0.00 -0.26 0.00 0.00 60.65 58.48 3h0c s ILE 517 Cb 0.04 -2.64 -0.04 0.00 1.25 0.00 0.00 42.46 41.07 3h0c s ILE 517 CO 0.04 -0.15 0.08 -0.63 0.24 0.00 0.00 174.94 174.52 3h0c s ILE 518 N -3.13 4.95 -0.11 8.37 -1.09 -1.26 -0.86 121.20 128.08 3h0c s ILE 518 Ca 0.33 0.02 -0.01 0.00 -2.23 0.00 0.00 60.65 58.76 3h0c s ILE 518 Cb 0.07 -3.23 0.03 0.00 -1.58 0.00 0.00 42.46 37.75 3h0c s ILE 518 CO 0.14 0.47 -0.01 -0.76 -1.23 0.00 0.00 174.94 173.55 3h0c s LEU 519 N 0.24 0.88 -1.53 2.97 1.02 -0.20 -4.81 118.68 117.25 3h0c s LEU 519 Ca 0.05 -0.29 -0.02 0.00 0.02 0.00 0.00 54.13 53.89 3h0c s LEU 519 Cb -0.12 -0.58 0.00 0.00 0.02 0.00 0.00 46.19 45.51 3h0c s LEU 519 CO -0.00 -0.20 0.04 0.59 0.02 0.00 0.00 176.35 176.80 3h0c n ASN 520 N 5.07 0.72 -0.12 2.29 3.02 -1.26 -1.49 115.26 123.49 3h0c n ASN 520 Ca -0.09 -1.28 -0.02 0.00 -0.03 0.00 0.00 54.58 53.17 3h0c n ASN 520 Cb 0.49 -1.61 -0.01 0.00 -0.61 0.00 0.00 39.78 38.04 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 -4.61 -0.79 -4.33 3.52 1.02 -1.26 -5.02 120.64 109.17 3h0c n GLU 521 Ca -0.32 0.31 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 3h0c n GLU 521 Cb 0.69 -3.98 -0.10 0.00 -0.02 0.00 0.00 31.44 28.03 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 -1.72 2.96 -0.11 2.62 2.01 -0.55 -5.11 115.64 115.74 3h0c s THR 522 Ca 0.00 -1.77 -0.21 0.00 0.31 0.00 0.00 61.69 60.01 3h0c s THR 522 Cb 0.00 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 3h0c s THR 522 CO 0.00 -0.12 0.63 -0.54 -0.69 0.00 0.00 174.62 173.89 3h0c s LYS 523 N -2.81 4.35 -0.07 4.92 1.02 -1.26 -1.03 119.74 124.86 3h0c s LYS 523 Ca 0.24 0.70 0.02 0.00 0.02 0.00 0.00 55.97 56.96 3h0c s LYS 523 Cb -0.08 -3.48 0.01 0.00 -0.52 0.00 0.00 37.83 33.76 3h0c s LYS 523 CO 0.14 0.01 -0.12 -0.06 -0.92 0.00 0.00 175.35 174.39 3h0c s PHE 524 N 1.04 1.48 0.11 3.18 0.08 -0.03 -4.98 117.98 118.86 3h0c s PHE 524 Ca 0.32 -0.55 -0.16 0.00 0.12 0.00 0.00 56.93 56.66 3h0c s PHE 524 Cb -0.16 -1.09 -0.07 0.00 -0.57 0.00 0.00 43.02 41.13 3h0c s PHE 524 CO 0.14 -0.28 0.54 -1.58 -0.10 0.00 0.00 175.22 173.94 3h0c s TRP 525 N 0.66 3.68 0.18 0.36 0.52 -1.26 -0.67 118.94 122.42 3h0c s TRP 525 Ca -0.15 1.12 0.01 0.00 0.02 0.00 0.00 56.10 57.10 3h0c s TRP 525 Cb -0.16 -2.40 -0.05 0.00 -1.15 0.00 0.00 33.47 29.72 3h0c s TRP 525 CO 0.04 0.50 0.04 1.52 0.02 0.00 0.00 176.95 179.07 3h0c s TYR 526 N -1.31 1.20 0.16 -1.98 1.13 -0.56 -1.27 117.35 114.72 3h0c s TYR 526 Ca 0.33 -1.12 0.05 0.00 -1.41 0.00 0.00 57.07 54.93 3h0c s TYR 526 Cb -0.17 -0.68 -0.04 0.00 -1.10 0.00 0.00 41.96 39.97 3h0c s TYR 526 CO 0.18 -0.32 -0.12 1.14 -2.51 0.00 0.00 175.55 173.92 3h0c s GLN 527 N -3.98 1.11 -0.02 -3.49 -2.07 -0.10 -2.79 119.66 108.31 3h0c s GLN 527 Ca 0.27 -1.44 0.01 0.00 -1.82 0.00 0.00 55.36 52.38 3h0c s GLN 527 Cb 0.07 -0.79 0.02 0.00 -1.09 0.00 0.00 33.01 31.22 3h0c s GLN 527 CO 0.06 0.12 -0.01 -1.64 -1.32 0.00 0.00 175.29 172.50 3h0c s MET 528 N -3.50 0.29 -0.32 9.60 -1.94 -0.20 -0.94 119.30 122.28 3h0c s MET 528 Ca 0.16 0.03 -0.15 0.00 -1.71 0.00 0.00 55.69 54.03 3h0c s MET 528 Cb 0.00 -0.43 -0.02 0.00 2.01 0.00 0.00 34.83 36.40 3h0c s MET 528 CO 0.02 -0.09 0.37 0.42 -0.01 0.00 0.00 175.02 175.73 3h0c s ILE 529 N 0.78 5.16 -0.09 2.53 1.09 0.25 -0.50 121.20 130.41 3h0c s ILE 529 Ca -0.08 0.20 -0.02 0.00 -1.10 0.00 0.00 60.65 59.66 3h0c s ILE 529 Cb -0.11 -3.79 -0.03 0.00 -1.06 0.00 0.00 42.46 37.47 3h0c s ILE 529 CO -0.01 -0.03 -0.02 -0.76 -0.10 0.00 0.00 174.94 174.02 3h0c s LEU 530 N 2.05 3.45 0.64 2.97 1.43 -0.22 -2.40 118.68 126.60 3h0c s LEU 530 Ca 0.13 0.07 -0.18 0.00 -1.03 0.00 0.00 54.13 53.13 3h0c s LEU 530 Cb -0.16 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 3h0c s LEU 530 CO 0.11 0.35 1.01 -2.65 0.23 0.00 0.00 176.35 175.39 3h0c n PRO 531 N 2.36 0.82 -1.69 1.29 -0.02 -1.26 -2.12 135.00 134.37 3h0c n PRO 531 Ca -0.18 0.33 -0.43 0.00 -2.02 0.00 0.00 63.50 61.19 3h0c n PRO 531 Cb 0.53 -2.23 -0.01 0.00 -0.02 0.00 0.00 33.50 31.77 3h0c n PRO 531 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3h0c n PRO 532 N -1.36 2.09 -3.19 0.52 -0.04 -1.26 -2.99 135.00 128.77 3h0c n PRO 532 Ca 0.14 0.73 -0.14 0.00 -0.04 0.00 0.00 63.50 64.19 3h0c n PRO 532 Cb 0.48 -2.33 0.07 0.00 -0.04 0.00 0.00 33.50 31.68 3h0c n PRO 532 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3h0c n HIS 533 N 0.77 -1.97 -2.05 0.54 8.25 -1.26 -4.90 115.22 114.59 3h0c n HIS 533 Ca 0.07 0.80 -0.43 0.00 -0.26 0.00 0.00 57.72 57.90 3h0c n HIS 533 Cb 0.35 -4.49 -0.03 0.00 1.12 0.00 0.00 29.99 26.94 3h0c n HIS 533 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3h0c s PHE 534 N -3.32 1.97 -0.37 4.41 5.36 -1.16 -4.98 117.98 119.89 3h0c s PHE 534 Ca 0.11 0.52 -0.15 0.00 -0.96 0.00 0.00 56.93 56.45 3h0c s PHE 534 Cb -0.01 -4.03 0.00 0.00 -0.34 0.00 0.00 43.02 38.64 3h0c s PHE 534 CO 0.64 -3.09 0.31 0.34 -1.46 0.00 0.00 175.22 171.95 3h0c s ASP 535 N 4.80 6.11 0.00 6.13 -1.08 -1.26 -4.97 116.67 126.41 3h0c s ASP 535 Ca 0.75 -0.58 0.13 0.00 -0.52 0.00 0.00 52.55 52.33 3h0c s ASP 535 Cb -0.25 -2.17 0.54 0.00 -1.46 0.00 0.00 42.92 39.58 3h0c s ASP 535 CO 0.31 -0.37 1.41 2.29 0.52 0.00 0.00 175.17 179.33 3h0c n LYS 536 N 5.23 0.00 0.09 4.34 2.85 -1.26 -1.67 118.16 127.74 3h0c n LYS 536 Ca -0.11 0.28 0.12 0.00 -1.05 0.00 0.00 58.31 57.55 3h0c n LYS 536 Cb 0.48 -1.50 0.08 0.00 -0.65 0.00 0.00 35.03 33.44 3h0c n LYS 536 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3h0c h SER 537 N 0.00 0.00 -3.89 -5.58 4.64 -1.93 -3.36 113.55 103.43 3h0c h SER 537 Ca 0.00 -0.10 -0.46 0.00 -0.47 0.00 0.00 61.79 60.76 3h0c h SER 537 Cb 0.22 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.43 3h0c h SER 537 CO 0.00 0.05 0.34 -0.54 -0.87 0.00 0.00 176.83 175.81 3h0c s LYS 538 N -3.27 1.41 -0.08 4.77 1.02 -0.67 -4.94 119.74 117.97 3h0c s LYS 538 Ca 0.03 -0.34 0.04 0.00 0.02 0.00 0.00 55.97 55.72 3h0c s LYS 538 Cb 0.11 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 3h0c s LYS 538 CO 0.76 -1.86 -0.21 0.15 -0.92 0.00 0.00 175.35 173.27 3h0c s LYS 539 N -5.59 2.62 -0.00 1.68 1.02 -1.26 -4.15 119.74 114.05 3h0c s LYS 539 Ca 0.67 -0.76 0.08 0.00 0.02 0.00 0.00 55.97 55.99 3h0c s LYS 539 Cb -0.07 -2.04 -0.02 0.00 -0.52 0.00 0.00 37.83 35.18 3h0c s LYS 539 CO 0.49 0.17 -0.26 0.71 -0.92 0.00 0.00 175.35 175.54 3h0c s TYR 540 N 0.35 2.29 0.61 3.18 1.51 0.14 -4.81 117.35 120.62 3h0c s TYR 540 Ca -0.16 -0.43 -0.18 0.00 -1.01 0.00 0.00 57.07 55.30 3h0c s TYR 540 Cb -0.17 -1.44 -0.02 0.00 -0.11 0.00 0.00 41.96 40.22 3h0c s TYR 540 CO 0.07 0.01 1.18 -1.25 -1.11 0.00 0.00 175.55 174.45 3h0c s PRO 541 N -0.79 2.88 -0.08 -1.71 0.04 -1.26 -1.59 135.00 132.48 3h0c s PRO 541 Ca 0.10 1.73 0.02 0.00 0.04 0.00 0.00 61.00 62.89 3h0c s PRO 541 Cb -0.10 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.52 3h0c s PRO 541 CO -0.00 -1.25 -0.15 -1.17 0.04 0.00 0.00 177.00 174.47 3h0c s LEU 542 N -4.30 1.72 -0.25 -3.56 0.20 -0.81 -1.10 118.68 110.58 3h0c s LEU 542 Ca 0.75 -0.37 -0.09 0.00 0.69 0.00 0.00 54.13 55.11 3h0c s LEU 542 Cb -0.28 -0.98 -0.04 0.00 -0.43 0.00 0.00 46.19 44.46 3h0c s LEU 542 CO 0.35 0.05 0.12 -0.22 -0.29 0.00 0.00 176.35 176.35 3h0c s LEU 543 N 0.72 3.72 -0.48 -0.68 0.20 0.94 -0.31 118.68 122.78 3h0c s LEU 543 Ca -0.13 -0.09 -0.21 0.00 0.69 0.00 0.00 54.13 54.39 3h0c s LEU 543 Cb -0.16 -2.01 0.04 0.00 -0.43 0.00 0.00 46.19 43.63 3h0c s LEU 543 CO 0.03 -0.01 0.72 -0.22 -0.29 0.00 0.00 176.35 176.58 3h0c s LEU 544 N 1.51 4.51 -0.46 -0.68 2.96 0.20 0.19 118.68 126.92 3h0c s LEU 544 Ca 0.06 -0.47 -0.23 0.00 -0.22 0.00 0.00 54.13 53.27 3h0c s LEU 544 Cb -0.15 -2.71 0.03 0.00 0.50 0.00 0.00 46.19 43.86 3h0c s LEU 544 CO 0.06 -0.93 0.79 -0.62 -1.32 0.00 0.00 176.35 174.34 3h0c s ASP 545 N 2.39 6.40 -0.02 3.68 -1.08 0.14 -1.97 116.67 126.21 3h0c s ASP 545 Ca 0.23 -0.16 0.07 0.00 -0.52 0.00 0.00 52.55 52.18 3h0c s ASP 545 Cb -0.15 -2.39 -0.02 0.00 -1.46 0.00 0.00 42.92 38.90 3h0c s ASP 545 CO 0.18 -0.94 -0.24 0.54 0.52 0.00 0.00 175.17 175.22 3h0c s VAL 546 N 3.33 2.21 0.13 1.11 0.11 -0.84 -4.38 120.40 122.06 3h0c s VAL 546 Ca 0.29 -1.05 0.00 0.00 -2.93 0.00 0.00 61.98 58.29 3h0c s VAL 546 Cb -0.12 -1.78 0.00 0.00 -1.53 0.00 0.00 36.38 32.95 3h0c s VAL 546 CO 0.22 0.58 0.00 0.00 -3.33 0.00 0.00 175.10 172.57 3h0c n TYR 547 N 2.42 -0.46 -2.45 1.54 9.36 -1.26 -4.23 117.16 122.06 3h0c n TYR 547 Ca -0.16 0.08 -0.14 0.00 3.32 0.00 0.00 57.90 61.00 3h0c n TYR 547 Cb 0.51 0.11 -0.01 0.00 -0.63 0.00 0.00 39.34 39.33 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 -3.45 -0.76 -1.66 2.98 0.00 -1.26 -3.23 120.51 113.13 3h0c n ALA 548 Ca 0.00 0.11 -0.31 0.00 0.00 0.00 0.00 53.44 53.24 3h0c n ALA 548 Cb 0.03 -1.66 0.04 0.00 0.00 0.00 0.00 19.45 17.86 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 -2.05 1.66 0.04 0.00 0.00 -1.26 -4.91 107.32 100.80 3h0c s GLY 549 Ca 0.01 0.03 -0.31 0.00 0.00 0.00 0.00 44.72 44.44 3h0c s GLY 549 CO 0.01 0.33 1.91 -1.05 0.00 0.00 0.00 173.10 174.30 3h0c n PRO 550 N -3.02 2.69 -1.58 2.90 -0.02 -1.26 -1.23 135.00 133.48 3h0c n PRO 550 Ca 0.07 0.98 -0.04 0.00 -2.02 0.00 0.00 63.50 62.49 3h0c n PRO 550 Cb 0.54 -2.90 -0.01 0.00 -0.02 0.00 0.00 33.50 31.11 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 -2.88 6.28 -0.10 0.00 1.04 -0.37 -4.13 113.70 113.54 3h0c s SER 552 Ca 0.00 0.86 -0.03 0.00 0.48 0.00 0.00 55.95 57.26 3h0c s SER 552 Cb 0.00 -2.22 0.05 0.00 0.10 0.00 0.00 66.02 63.95 3h0c s SER 552 CO 0.00 -0.52 0.09 -1.58 0.98 0.00 0.00 173.24 172.21 3h0c s GLN 553 N -4.61 -0.01 0.00 4.02 0.74 -1.26 -1.79 119.66 116.76 3h0c s GLN 553 Ca 0.46 0.23 0.05 0.00 0.05 0.00 0.00 55.36 56.16 3h0c s GLN 553 Cb -0.10 -0.98 0.06 0.00 1.10 0.00 0.00 33.01 33.08 3h0c s GLN 553 CO 0.43 -0.46 0.73 1.63 -0.55 0.00 0.00 175.29 177.06 3h0c n LYS 554 N 5.30 0.16 -4.03 1.67 5.02 -1.26 -4.87 118.16 120.14 3h0c n LYS 554 Ca -0.05 -0.94 -0.33 0.00 -2.02 0.00 0.00 58.31 54.97 3h0c n LYS 554 Cb 0.50 -1.11 -0.15 0.00 -0.02 0.00 0.00 35.03 34.25 3h0c n LYS 554 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h0c s ALA 555 N -0.52 2.60 0.05 7.82 0.00 -1.26 -4.71 121.76 125.73 3h0c s ALA 555 Ca 0.07 -1.67 -0.01 0.00 0.00 0.00 0.00 51.96 50.36 3h0c s ALA 555 Cb 0.05 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.56 3h0c s ALA 555 CO 0.07 -1.07 0.07 -0.40 0.00 0.00 0.00 175.76 174.43 3h0c n ASP 556 N 4.51 -0.20 -0.22 0.00 5.68 -1.26 -4.37 116.55 120.70 3h0c n ASP 556 Ca -0.15 -1.23 0.11 0.00 -0.50 0.00 0.00 54.79 53.02 3h0c n ASP 556 Cb 0.44 0.36 0.02 0.00 -1.14 0.00 0.00 41.12 40.79 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 -0.07 0.00 -2.08 2.12 -2.24 -0.88 -4.95 114.28 106.18 3h0c n THR 557 Ca -0.00 -0.11 -0.38 0.00 -2.27 0.00 0.00 64.05 61.29 3h0c n THR 557 Cb 0.07 0.95 0.01 0.00 -2.10 0.00 0.00 70.33 69.27 3h0c n THR 557 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3h0c s VAL 558 N -2.75 2.71 -0.22 2.28 0.11 -1.26 -2.11 120.40 119.16 3h0c s VAL 558 Ca 0.14 0.54 -0.22 0.00 -2.93 0.00 0.00 61.98 59.51 3h0c s VAL 558 Cb 0.17 -3.27 -0.02 0.00 -1.53 0.00 0.00 36.38 31.73 3h0c s VAL 558 CO 0.70 -0.01 0.69 0.12 -3.33 0.00 0.00 175.10 173.27 3h0c s PHE 559 N -1.45 3.34 0.00 1.54 5.36 -0.34 -4.86 117.98 121.57 3h0c s PHE 559 Ca 0.66 0.96 0.08 0.00 -0.96 0.00 0.00 56.93 57.67 3h0c s PHE 559 Cb -0.33 -2.88 -0.02 0.00 -0.34 0.00 0.00 43.02 39.45 3h0c s PHE 559 CO 0.40 -0.27 -0.23 1.03 -1.46 0.00 0.00 175.22 174.68 3h0c s ARG 560 N 2.31 1.80 -0.45 10.12 0.52 -1.26 -4.90 118.95 127.08 3h0c s ARG 560 Ca 0.30 -0.90 -0.08 0.00 -0.52 0.00 0.00 55.73 54.53 3h0c s ARG 560 Cb -0.16 -1.80 0.11 0.00 0.52 0.00 0.00 34.95 33.62 3h0c s ARG 560 CO 0.09 0.49 0.31 -0.51 0.02 0.00 0.00 175.30 175.70 3h0c s LEU 561 N -0.76 5.56 0.00 2.53 1.43 -1.26 -4.84 118.68 121.34 3h0c s LEU 561 Ca 0.09 -1.90 0.00 0.00 -1.03 0.00 0.00 54.13 51.30 3h0c s LEU 561 Cb -0.09 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.16 3h0c s LEU 561 CO 0.00 -0.65 0.00 -0.46 0.23 0.00 0.00 176.35 175.47 3h0c n ASN 562 N 4.85 0.00 -0.10 2.29 2.04 -1.26 -5.00 115.26 118.07 3h0c n ASN 562 Ca -0.07 -0.46 -0.06 0.00 -0.44 0.00 0.00 54.58 53.55 3h0c n ASN 562 Cb 0.41 0.00 0.02 0.00 -2.53 0.00 0.00 39.78 37.68 3h0c n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.44 0.00 0.00 177.26 176.57 3h0c h TRP 563 N 0.46 0.15 -0.99 -2.53 7.01 -1.98 -2.28 115.95 115.79 3h0c h TRP 563 Ca 0.00 0.02 0.16 0.00 2.11 0.00 0.00 58.89 61.18 3h0c h TRP 563 Cb 0.00 -0.02 -0.09 0.00 -2.10 0.00 0.00 29.16 26.95 3h0c h TRP 563 CO 0.00 0.04 0.62 0.00 -2.79 0.00 0.00 178.44 176.31 3h0c h ALA 564 N 1.25 1.65 -0.34 2.65 0.00 -1.98 -0.80 119.26 121.70 3h0c h ALA 564 Ca 0.16 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.18 3h0c h ALA 564 Cb 0.17 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3h0c h ALA 564 CO -0.20 0.05 -0.00 1.15 0.00 0.00 0.00 179.25 180.24 3h0c h THR 565 N 0.84 0.75 -0.53 0.00 2.02 -1.74 -1.64 112.91 112.61 3h0c h THR 565 Ca 0.52 -0.03 -0.12 0.00 0.77 0.00 0.00 66.41 67.55 3h0c h THR 565 Cb 0.72 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3h0c h THR 565 CO -0.30 0.02 -0.14 0.22 0.37 0.00 0.00 175.52 175.69 3h0c h TYR 566 N 0.09 1.14 -0.37 3.16 3.20 -1.20 -1.86 116.97 121.13 3h0c h TYR 566 Ca 0.16 -0.25 -0.04 0.00 3.14 0.00 0.00 58.73 61.74 3h0c h TYR 566 Cb 0.23 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 3h0c h TYR 566 CO -0.24 1.07 0.04 -0.07 -1.64 0.00 0.00 178.16 177.32 3h0c h LEU 567 N 0.90 0.52 0.03 2.82 3.38 -0.77 -1.38 115.31 120.81 3h0c h LEU 567 Ca 0.13 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3h0c h LEU 567 Cb 0.71 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3h0c h LEU 567 CO 0.05 0.56 -0.02 0.00 0.09 0.00 0.00 178.44 179.13 3h0c h ALA 568 N 1.51 -0.04 -0.11 1.53 0.00 -1.29 -1.46 119.26 119.40 3h0c h ALA 568 Ca 0.12 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3h0c h ALA 568 Cb 0.28 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3h0c h ALA 568 CO 0.00 -0.10 0.03 1.03 0.00 0.00 0.00 179.25 180.22 3h0c h SER 569 N -0.90 0.16 0.07 0.00 0.87 -1.20 -1.71 113.55 110.84 3h0c h SER 569 Ca -0.00 -0.22 -0.37 0.00 -1.23 0.00 0.00 61.79 59.98 3h0c h SER 569 Cb 0.70 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.58 3h0c h SER 569 CO 0.01 0.33 -2.10 0.41 -0.53 0.00 0.00 176.83 174.96 3h0c n THR 570 N -4.88 1.66 0.44 2.23 -1.04 -0.53 -4.56 114.28 107.60 3h0c n THR 570 Ca -0.06 -0.55 0.12 0.00 -2.04 0.00 0.00 64.05 61.52 3h0c n THR 570 Cb 0.14 -1.68 0.06 0.00 -1.82 0.00 0.00 70.33 67.03 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 -3.56 0.38 -3.49 -2.82 -0.58 -1.13 -4.97 120.64 104.47 3h0c n GLU 571 Ca -0.37 0.05 -0.21 0.00 -0.42 0.00 0.00 57.16 56.20 3h0c n GLU 571 Cb 0.99 -1.68 0.08 0.00 -0.57 0.00 0.00 31.44 30.25 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 -2.19 -5.49 -4.63 1.62 3.02 -0.64 -4.96 115.26 101.99 3h0c n ASN 572 Ca 0.02 -0.51 -0.35 0.00 -0.03 0.00 0.00 54.58 53.71 3h0c n ASN 572 Cb 0.47 -4.70 -0.10 0.00 -0.61 0.00 0.00 39.78 34.85 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 -3.30 4.86 -0.21 2.41 1.01 -0.61 -4.38 121.20 120.98 3h0c s ILE 573 Ca 0.47 -0.01 -0.29 0.00 0.00 0.00 0.00 60.65 60.82 3h0c s ILE 573 Cb -0.21 -3.20 -0.00 0.00 0.01 0.00 0.00 42.46 39.06 3h0c s ILE 573 CO 0.67 0.44 1.14 -0.63 0.00 0.00 0.00 174.94 176.57 3h0c s ILE 574 N 0.51 4.49 -0.35 2.92 1.01 -0.26 -3.58 121.20 125.94 3h0c s ILE 574 Ca 0.04 1.80 -0.12 0.00 0.00 0.00 0.00 60.65 62.36 3h0c s ILE 574 Cb -0.13 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.17 3h0c s ILE 574 CO 0.01 -0.18 0.22 -0.69 0.00 0.00 0.00 174.94 174.30 3h0c s VAL 575 N 3.37 4.97 0.28 2.92 1.01 -1.01 -0.04 120.40 131.90 3h0c s VAL 575 Ca 0.49 -0.47 0.08 0.00 0.00 0.00 0.00 61.98 62.08 3h0c s VAL 575 Cb -0.18 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3h0c s VAL 575 CO 0.10 -0.09 0.15 0.00 0.00 0.00 0.00 175.10 175.26 3h0c s ALA 576 N 1.65 3.49 0.03 5.51 0.00 0.13 -0.58 121.76 132.00 3h0c s ALA 576 Ca 0.05 -1.57 -0.08 0.00 0.00 0.00 0.00 51.96 50.36 3h0c s ALA 576 Cb -0.18 -1.07 -0.00 0.00 0.00 0.00 0.00 23.12 21.87 3h0c s ALA 576 CO 0.09 0.19 0.16 -1.12 0.00 0.00 0.00 175.76 175.08 3h0c s SER 577 N -3.82 0.08 -0.12 0.00 0.01 -0.11 0.24 113.70 109.97 3h0c s SER 577 Ca 0.34 -0.40 -0.09 0.00 1.31 0.00 0.00 55.95 57.11 3h0c s SER 577 Cb -0.06 0.26 0.04 0.00 0.21 0.00 0.00 66.02 66.46 3h0c s SER 577 CO 0.23 -0.51 0.31 0.12 0.41 0.00 0.00 173.24 173.80 3h0c s PHE 578 N -2.41 -0.39 -0.50 2.43 5.36 -1.26 -0.93 117.98 120.29 3h0c s PHE 578 Ca -0.06 0.91 -0.09 0.00 -0.96 0.00 0.00 56.93 56.73 3h0c s PHE 578 Cb -0.02 0.13 0.13 0.00 -0.34 0.00 0.00 43.02 42.92 3h0c s PHE 578 CO -0.03 -0.22 0.37 -0.51 -1.46 0.00 0.00 175.22 173.37 3h0c s ASP 579 N 0.69 5.70 0.00 6.13 1.01 -0.39 -4.82 116.67 124.99 3h0c s ASP 579 Ca -0.04 -2.04 0.00 0.00 0.71 0.00 0.00 52.55 51.18 3h0c s ASP 579 Cb -0.06 -2.00 0.00 0.00 1.01 0.00 0.00 42.92 41.88 3h0c s ASP 579 CO -0.04 -0.65 0.00 0.61 0.21 0.00 0.00 175.17 175.29 3h0c n GLY 580 N 4.73 1.29 3.71 0.21 0.00 -1.26 -4.09 105.19 109.78 3h0c n GLY 580 Ca -0.05 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 3h0c n GLY 580 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h0c n ARG 581 N 0.00 2.45 0.00 1.61 1.74 -1.26 -2.19 116.66 119.01 3h0c n ARG 581 Ca 0.00 0.88 0.00 0.00 -0.77 0.00 0.00 57.85 57.96 3h0c n ARG 581 Cb 0.00 -2.64 0.00 0.00 -1.02 0.00 0.00 32.46 28.80 3h0c n ARG 581 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h0c n GLY 582 N 2.79 1.92 3.83 -0.13 0.00 0.98 -4.02 105.19 110.55 3h0c n GLY 582 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.60 5.65 0.60 1.61 1.04 -0.93 -0.21 113.70 119.85 3h0c s SER 583 Ca 0.00 1.62 0.04 0.00 0.48 0.00 0.00 55.95 58.09 3h0c s SER 583 Cb 0.00 -2.50 0.07 0.00 0.10 0.00 0.00 66.02 63.70 3h0c s SER 583 CO 0.00 -1.26 0.82 -0.83 0.98 0.00 0.00 173.24 172.96 3h0c s GLY 584 N -3.62 1.80 -0.93 7.32 0.00 -0.74 -3.79 107.32 107.36 3h0c s GLY 584 Ca 0.59 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 43.60 3h0c s GLY 584 CO 0.50 -1.30 0.00 -1.72 0.00 0.00 0.00 173.10 170.58 3h0c n TYR 585 N -2.42 0.00 -1.71 1.90 4.01 -1.26 -4.84 117.16 112.84 3h0c n TYR 585 Ca 0.12 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.90 3h0c n TYR 585 Cb 0.60 -1.88 0.05 0.00 -0.31 0.00 0.00 39.34 37.81 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 -2.29 0.47 0.00 -0.72 6.02 -1.26 -4.50 117.38 115.10 3h0c n GLN 586 Ca -0.09 -1.65 0.00 0.00 -0.01 0.00 0.00 57.00 55.25 3h0c n GLN 586 Cb 0.35 -0.84 0.00 0.00 1.02 0.00 0.00 30.24 30.77 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 -0.48 -0.20 0.24 1.08 0.00 -1.26 -4.54 105.19 100.03 3h0c n GLY 587 Ca 0.06 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.47 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 0.00 -0.36 1.61 3.32 -1.01 -2.67 116.42 117.30 3h0c h ASP 588 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h0c h ASP 588 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3h0c h ASP 588 CO 0.00 0.12 0.23 0.50 -1.72 0.00 0.00 179.24 178.37 3h0c h LYS 589 N 0.00 0.48 0.04 3.56 3.11 -1.84 0.29 116.57 122.22 3h0c h LYS 589 Ca -0.00 -0.04 -0.15 0.00 -2.81 0.00 0.00 60.65 57.65 3h0c h LYS 589 Cb 0.76 -0.10 0.01 0.00 -1.00 0.00 0.00 32.23 31.90 3h0c h LYS 589 CO 0.02 0.34 -0.63 0.82 -2.81 0.00 0.00 179.45 177.19 3h0c h ILE 590 N 0.48 1.47 -0.37 2.00 2.04 -1.79 -3.27 117.51 118.06 3h0c h ILE 590 Ca 0.13 -2.22 -0.16 0.00 1.00 0.00 0.00 64.86 63.62 3h0c h ILE 590 Cb -0.03 2.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 3h0c h ILE 590 CO -0.03 0.63 -0.38 -0.03 0.00 0.00 0.00 178.15 178.35 3h0c h MET 591 N -0.24 0.92 -0.05 2.37 4.05 -1.35 0.28 114.93 120.90 3h0c h MET 591 Ca -0.09 -0.49 0.00 0.00 -0.28 0.00 0.00 59.70 58.84 3h0c h MET 591 Cb 1.39 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.20 3h0c h MET 591 CO 0.12 1.14 0.00 0.72 0.23 0.00 0.00 176.91 179.12 3h0c n HIS 592 N -4.08 0.06 0.34 1.39 8.25 0.10 -3.95 115.22 117.33 3h0c n HIS 592 Ca -0.02 -0.03 0.22 0.00 -0.26 0.00 0.00 57.72 57.62 3h0c n HIS 592 Cb 0.54 0.00 1.15 0.00 1.12 0.00 0.00 29.99 32.80 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 4.11 1.06 -0.10 -1.41 0.00 -1.58 -1.50 119.26 119.83 3h0c h ALA 593 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h0c h ALA 593 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3h0c h ALA 593 CO 0.00 -0.06 0.00 1.51 0.00 0.00 0.00 179.25 180.70 3h0c n ILE 594 N -3.04 0.10 -1.69 0.00 0.13 -1.25 -4.93 119.36 108.68 3h0c n ILE 594 Ca -0.03 -0.55 -0.45 0.00 -1.10 0.00 0.00 62.75 60.63 3h0c n ILE 594 Cb 0.13 1.39 -0.04 0.00 -0.84 0.00 0.00 39.64 40.27 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 1.34 3.54 -0.04 9.51 5.15 -0.57 -1.49 115.26 132.70 3h0c n ASN 595 Ca 0.15 1.05 -0.01 0.00 -0.60 0.00 0.00 54.58 55.17 3h0c n ASN 595 Cb 0.58 -1.48 -0.00 0.00 -0.53 0.00 0.00 39.78 38.35 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 4.30 -1.62 -2.86 1.20 1.74 0.70 -4.85 116.66 115.27 3h0c n ARG 596 Ca 0.17 0.43 -0.12 0.00 -0.77 0.00 0.00 57.85 57.57 3h0c n ARG 596 Cb 0.32 -4.65 0.03 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 0.18 1.07 -2.27 5.56 1.74 -0.56 -4.90 116.66 117.49 3h0c n ARG 597 Ca -0.01 -2.92 -0.41 0.00 -0.77 0.00 0.00 57.85 53.75 3h0c n ARG 597 Cb 0.41 -1.20 -0.03 0.00 -1.02 0.00 0.00 32.46 30.62 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 -2.78 4.42 0.00 0.55 1.43 -1.24 -3.39 118.68 117.68 3h0c s LEU 598 Ca 0.30 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.73 3h0c s LEU 598 Cb 0.39 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 43.00 3h0c s LEU 598 CO -0.03 -0.49 0.00 0.61 0.23 0.00 0.00 176.35 176.67 3h0c n GLY 599 N 2.41 0.96 0.00 -3.19 0.00 -1.26 -4.82 105.19 99.29 3h0c n GLY 599 Ca 0.06 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3h0c n GLY 599 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3h0c n THR 600 N -2.43 0.00 0.05 2.61 5.66 -1.22 -4.80 114.28 114.15 3h0c n THR 600 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 3h0c n THR 600 Cb 0.11 -0.34 0.06 0.00 -1.55 0.00 0.00 70.33 68.60 3h0c n THR 600 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 175.07 171.76 3h0c h PHE 601 N 0.00 0.50 0.00 1.09 0.04 -1.92 -1.95 116.94 114.70 3h0c h PHE 601 Ca 0.00 -0.21 -0.05 0.00 2.80 0.00 0.00 57.97 60.52 3h0c h PHE 601 Cb 0.00 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 3h0c h PHE 601 CO 0.00 0.93 -0.23 1.05 -0.60 0.00 0.00 178.31 179.46 3h0c h GLU 602 N 0.27 0.00 0.05 1.51 9.09 -1.91 -1.44 114.58 122.14 3h0c h GLU 602 Ca -0.02 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.39 3h0c h GLU 602 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 3h0c h GLU 602 CO 0.11 0.23 -0.02 0.28 0.05 0.00 0.00 179.01 179.66 3h0c h VAL 603 N 0.00 1.21 -0.87 -1.06 2.07 -1.81 -3.22 116.25 112.58 3h0c h VAL 603 Ca -0.00 -1.62 0.05 0.00 0.82 0.00 0.00 66.70 65.96 3h0c h VAL 603 Cb 0.58 2.17 -0.06 0.00 -1.52 0.00 0.00 31.29 32.46 3h0c h VAL 603 CO 0.03 0.36 0.54 -0.33 0.02 0.00 0.00 177.57 178.20 3h0c h GLU 604 N -0.88 0.98 0.00 1.57 5.08 -1.20 -1.77 114.58 118.37 3h0c h GLU 604 Ca -0.01 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 3h0c h GLU 604 Cb 0.65 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3h0c h GLU 604 CO 0.01 0.65 -0.34 -0.44 -1.00 0.00 0.00 179.01 177.89 3h0c h ASP 605 N 1.01 0.00 -0.23 1.42 3.32 -1.41 0.21 116.42 120.74 3h0c h ASP 605 Ca 0.37 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.23 3h0c h ASP 605 Cb 0.13 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 3h0c h ASP 605 CO -0.16 0.34 -0.56 1.56 -1.72 0.00 0.00 179.24 178.70 3h0c h GLN 606 N 0.00 0.83 -0.14 3.56 1.08 -1.34 -0.27 115.11 118.82 3h0c h GLN 606 Ca -0.00 -0.53 -0.02 0.00 -1.45 0.00 0.00 58.65 56.64 3h0c h GLN 606 Cb 0.73 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 28.22 3h0c h GLN 606 CO 0.04 1.16 -0.00 0.82 -0.95 0.00 0.00 178.83 179.90 3h0c h ILE 607 N 0.63 1.25 -0.75 2.54 2.04 -0.95 -1.79 117.51 120.49 3h0c h ILE 607 Ca 0.01 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 3h0c h ILE 607 Cb 1.16 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 38.74 3h0c h ILE 607 CO 0.12 0.25 0.42 -0.08 0.00 0.00 0.00 178.15 178.86 3h0c h GLU 608 N -0.02 1.04 -0.21 2.37 4.57 -0.62 0.14 114.58 121.86 3h0c h GLU 608 Ca 0.04 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 3h0c h GLU 608 Cb 0.37 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 3h0c h GLU 608 CO 0.01 0.76 0.06 0.00 -1.18 0.00 0.00 179.01 178.66 3h0c h ALA 609 N 1.22 0.27 -0.96 2.92 0.00 -1.05 -1.69 119.26 119.97 3h0c h ALA 609 Ca 0.26 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3h0c h ALA 609 Cb 0.02 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3h0c h ALA 609 CO -0.04 -0.10 0.62 0.00 0.00 0.00 0.00 179.25 179.73 3h0c h ALA 610 N 0.88 1.29 -0.44 0.00 0.00 -1.09 0.67 119.26 120.57 3h0c h ALA 610 Ca 0.07 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3h0c h ALA 610 Cb 0.24 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3h0c h ALA 610 CO -0.00 0.48 0.24 -0.09 0.00 0.00 0.00 179.25 179.88 3h0c h ARG 611 N 1.19 0.46 -0.08 0.00 2.43 -0.52 -1.46 114.38 116.40 3h0c h ARG 611 Ca 0.39 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.43 3h0c h ARG 611 Cb 0.04 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3h0c h ARG 611 CO -0.13 0.31 -0.42 1.96 -1.51 0.00 0.00 179.97 180.17 3h0c h GLN 612 N 0.48 0.18 -0.68 0.20 4.20 -0.67 -2.86 115.11 115.96 3h0c h GLN 612 Ca 0.18 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 3h0c h GLN 612 Cb 0.06 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 3h0c h GLN 612 CO -0.11 0.57 0.20 0.74 -0.67 0.00 0.00 178.83 179.56 3h0c h PHE 613 N 0.15 1.10 -0.15 2.96 0.04 -0.46 -3.14 116.94 117.44 3h0c h PHE 613 Ca 0.01 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.66 3h0c h PHE 613 Cb 0.81 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 3h0c h PHE 613 CO 0.01 0.88 0.06 0.66 -0.60 0.00 0.00 178.31 179.32 3h0c h SER 614 N 1.02 0.21 -1.27 2.17 4.64 -1.06 -2.95 113.55 116.31 3h0c h SER 614 Ca 0.22 -0.17 0.37 0.00 -0.47 0.00 0.00 61.79 61.74 3h0c h SER 614 Cb 0.31 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.30 3h0c h SER 614 CO -0.00 0.32 0.91 0.11 -0.87 0.00 0.00 176.83 177.29 3h0c h LYS 615 N 0.08 0.01 -7.03 4.77 1.79 -1.47 -3.42 116.57 111.30 3h0c h LYS 615 Ca 0.05 -0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.99 3h0c h LYS 615 Cb 0.17 -0.00 0.11 0.00 -1.58 0.00 0.00 32.23 30.93 3h0c h LYS 615 CO -0.00 0.00 0.56 -1.64 -1.08 0.00 0.00 179.45 177.29 3h0c s MET 616 N -4.95 3.39 0.00 3.15 -1.94 -1.11 -4.94 119.30 112.90 3h0c s MET 616 Ca -0.05 2.06 0.28 0.00 -1.71 0.00 0.00 55.69 56.27 3h0c s MET 616 Cb 0.23 -2.33 1.50 0.00 2.01 0.00 0.00 34.83 36.24 3h0c s MET 616 CO 0.82 -0.94 1.99 0.41 -0.01 0.00 0.00 175.02 177.29 3h0c n GLY 617 N 0.62 -1.11 0.06 -0.03 0.00 -1.26 -3.18 105.19 100.29 3h0c n GLY 617 Ca 0.09 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.04 3h0c n GLY 617 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3h0c n PHE 618 N -1.20 0.00 -4.08 1.61 1.16 -1.26 -4.70 117.46 108.99 3h0c n PHE 618 Ca 0.16 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.39 3h0c n PHE 618 Cb 0.18 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 37.96 3h0c n PHE 618 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 3h0c s VAL 619 N -2.45 4.67 -0.34 1.97 -7.23 -1.19 0.23 120.40 116.05 3h0c s VAL 619 Ca 0.07 -0.08 -0.25 0.00 -1.81 0.00 0.00 61.98 59.91 3h0c s VAL 619 Cb 0.13 -3.08 0.01 0.00 0.56 0.00 0.00 36.38 33.99 3h0c s VAL 619 CO 0.63 0.48 0.87 -0.62 -0.31 0.00 0.00 175.10 176.16 3h0c s ASP 620 N 0.22 6.68 0.00 4.85 3.68 -0.62 -4.82 116.67 126.65 3h0c s ASP 620 Ca 0.03 0.62 0.14 0.00 2.13 0.00 0.00 52.55 55.46 3h0c s ASP 620 Cb -0.12 -2.44 0.59 0.00 -1.45 0.00 0.00 42.92 39.50 3h0c s ASP 620 CO 0.01 -0.76 1.42 -0.46 0.13 0.00 0.00 175.17 175.51 3h0c n ASN 621 N 6.53 0.00 -0.32 -0.34 6.94 -1.26 -2.13 115.26 124.68 3h0c n ASN 621 Ca 0.06 0.44 0.13 0.00 -0.02 0.00 0.00 54.58 55.18 3h0c n ASN 621 Cb 0.48 -0.47 0.30 0.00 -2.36 0.00 0.00 39.78 37.73 3h0c n ASN 621 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3h0c n LYS 622 N -1.47 0.97 -3.21 -3.83 5.02 -1.26 -4.51 118.16 109.87 3h0c n LYS 622 Ca 0.04 -0.64 -0.23 0.00 -2.02 0.00 0.00 58.31 55.46 3h0c n LYS 622 Cb 0.15 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 3h0c n LYS 622 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3h0c n ARG 623 N -0.46 1.09 -4.18 1.97 1.74 -0.91 -4.85 116.66 111.07 3h0c n ARG 623 Ca 0.12 -3.50 -0.34 0.00 -0.77 0.00 0.00 57.85 53.36 3h0c n ARG 623 Cb 0.38 -1.48 -0.15 0.00 -1.02 0.00 0.00 32.46 30.19 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 -1.71 2.72 0.33 0.55 1.01 -1.26 -1.93 121.20 120.91 3h0c s ILE 624 Ca 0.37 -0.73 0.08 0.00 0.00 0.00 0.00 60.65 60.38 3h0c s ILE 624 Cb 0.21 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 3h0c s ILE 624 CO -0.09 0.49 0.19 0.00 0.00 0.00 0.00 174.94 175.53 3h0c s ALA 625 N 1.20 3.60 -0.07 9.38 0.00 0.58 -1.15 121.76 135.29 3h0c s ALA 625 Ca 0.02 -1.74 -0.05 0.00 0.00 0.00 0.00 51.96 50.19 3h0c s ALA 625 Cb -0.14 -0.90 0.03 0.00 0.00 0.00 0.00 23.12 22.11 3h0c s ALA 625 CO -0.05 0.04 0.18 -1.50 0.00 0.00 0.00 175.76 174.43 3h0c s ILE 626 N -2.37 -0.03 0.01 0.00 2.07 -1.04 -0.62 121.20 119.22 3h0c s ILE 626 Ca 0.38 0.09 -0.04 0.00 -1.41 0.00 0.00 60.65 59.67 3h0c s ILE 626 Cb -0.04 -0.27 -0.01 0.00 0.13 0.00 0.00 42.46 42.27 3h0c s ILE 626 CO 0.24 0.04 0.07 -1.66 -1.91 0.00 0.00 174.94 171.72 3h0c s TRP 627 N 0.72 0.15 0.16 3.50 1.48 -0.83 -0.69 118.94 123.42 3h0c s TRP 627 Ca -0.05 -0.34 -0.17 0.00 -1.06 0.00 0.00 56.10 54.47 3h0c s TRP 627 Cb -0.07 -0.12 0.04 0.00 -1.16 0.00 0.00 33.47 32.16 3h0c s TRP 627 CO -0.04 -0.26 0.47 0.20 -4.06 0.00 0.00 176.95 173.26 3h0c s GLY 628 N -1.54 -0.25 0.04 3.67 0.00 -0.78 -1.99 107.32 106.47 3h0c s GLY 628 Ca -0.14 -0.04 0.08 0.00 0.00 0.00 0.00 44.72 44.62 3h0c s GLY 628 CO -0.00 -0.23 -0.22 0.86 0.00 0.00 0.00 173.10 173.51 3h0c s TRP 629 N -3.82 1.90 0.00 1.90 -0.11 -1.26 -1.50 118.94 116.05 3h0c s TRP 629 Ca 0.05 -0.38 0.00 0.00 1.22 0.00 0.00 56.10 56.99 3h0c s TRP 629 Cb 0.00 -1.13 0.00 0.00 -1.50 0.00 0.00 33.47 30.84 3h0c s TRP 629 CO -0.09 0.10 0.00 0.45 -4.62 0.00 0.00 176.95 172.79 3h0c n SER 630 N 1.83 0.00 -0.34 5.86 2.88 -0.64 -0.68 113.62 122.53 3h0c n SER 630 Ca -0.17 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.51 3h0c n SER 630 Cb 0.53 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 64.32 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 0.96 -0.38 0.66 5.03 -1.86 -0.54 116.97 120.84 3h0c h TYR 631 Ca 0.00 0.04 0.01 0.00 2.58 0.00 0.00 58.73 61.36 3h0c h TYR 631 Cb 0.00 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 37.99 3h0c h TYR 631 CO 0.00 0.13 0.25 0.78 -1.32 0.00 0.00 178.16 178.01 3h0c h GLY 632 N 0.64 0.52 1.20 1.82 0.00 -0.87 -1.06 103.07 105.31 3h0c h GLY 632 Ca 0.59 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.66 3h0c h GLY 632 CO -0.43 0.18 0.12 -1.33 0.00 0.00 0.00 176.54 175.08 3h0c h GLY 633 N 0.49 1.07 0.74 4.60 0.00 -1.05 -1.04 103.07 107.88 3h0c h GLY 633 Ca 0.14 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 3h0c h GLY 633 CO -0.03 0.62 -0.05 -1.82 0.00 0.00 0.00 176.54 175.26 3h0c h TYR 634 N 0.94 0.31 -0.21 5.60 3.20 -1.10 -0.13 116.97 125.58 3h0c h TYR 634 Ca 0.19 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 3h0c h TYR 634 Cb 0.38 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 3h0c h TYR 634 CO 0.03 0.58 0.12 0.28 -1.64 0.00 0.00 178.16 177.53 3h0c h VAL 635 N -0.05 1.09 -0.49 1.81 2.07 -1.21 0.23 116.25 119.70 3h0c h VAL 635 Ca 0.03 -0.24 0.10 0.00 0.82 0.00 0.00 66.70 67.42 3h0c h VAL 635 Cb 0.49 0.88 -0.10 0.00 -1.52 0.00 0.00 31.29 31.04 3h0c h VAL 635 CO 0.02 0.09 -0.20 0.74 0.02 0.00 0.00 177.57 178.24 3h0c h THR 636 N 0.24 0.38 -0.32 2.57 2.02 -1.18 0.29 112.91 116.92 3h0c h THR 636 Ca 0.07 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 3h0c h THR 636 Cb 0.04 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 3h0c h THR 636 CO -0.01 0.00 0.19 0.28 0.37 0.00 0.00 175.52 176.35 3h0c h SER 637 N -0.09 0.39 -0.90 4.18 0.02 -0.37 0.13 113.55 116.91 3h0c h SER 637 Ca 0.23 -0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.15 3h0c h SER 637 Cb 0.44 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.84 3h0c h SER 637 CO -0.55 0.33 0.59 0.24 -1.14 0.00 0.00 176.83 176.30 3h0c h MET 638 N 0.41 1.14 -0.14 3.45 2.86 -0.13 -2.21 114.93 120.32 3h0c h MET 638 Ca 0.12 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3h0c h MET 638 Cb 0.01 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 31.41 3h0c h MET 638 CO -0.02 0.75 -0.00 0.28 1.06 0.00 0.00 176.91 178.98 3h0c h VAL 639 N 1.17 1.26 0.00 -2.22 2.07 0.45 -2.87 116.25 116.11 3h0c h VAL 639 Ca 0.34 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 3h0c h VAL 639 Cb -0.07 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3h0c h VAL 639 CO -0.09 0.25 -0.22 -0.07 0.02 0.00 0.00 177.57 177.46 3h0c h LEU 640 N -0.03 0.00 -1.91 2.57 3.38 -0.83 -2.38 115.31 116.12 3h0c h LEU 640 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3h0c h LEU 640 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3h0c h LEU 640 CO 0.01 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.36 3h0c n GLY 641 N -0.91 1.47 0.09 0.83 0.00 -0.85 -4.15 105.19 101.68 3h0c n GLY 641 Ca -0.02 -0.51 0.12 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 2.57 0.00 -0.64 1.61 4.64 -1.20 -3.43 113.55 117.09 3h0c h SER 642 Ca 0.00 -0.12 -0.17 0.00 -0.47 0.00 0.00 61.79 61.02 3h0c h SER 642 Cb 0.83 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.87 3h0c h SER 642 CO 0.08 0.06 -0.18 0.61 -0.87 0.00 0.00 176.83 176.54 3h0c n GLY 643 N 1.26 0.74 0.24 -0.77 0.00 -1.26 -4.91 105.19 100.49 3h0c n GLY 643 Ca 0.02 -0.62 0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.40 1.61 4.64 -1.89 -3.46 113.55 114.05 3h0c h SER 644 Ca -0.18 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.97 3h0c h SER 644 Cb 0.73 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.75 3h0c h SER 644 CO 0.25 0.18 -0.15 0.61 -0.87 0.00 0.00 176.83 176.85 3h0c n GLY 645 N -0.50 0.99 0.07 -0.77 0.00 -1.26 -4.88 105.19 98.84 3h0c n GLY 645 Ca -0.01 -0.42 0.02 0.00 0.00 0.00 0.00 46.02 45.60 3h0c n GLY 645 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h0c n VAL 646 N -2.64 0.82 -4.52 1.61 0.31 -1.26 -4.91 118.33 107.73 3h0c n VAL 646 Ca -0.08 -0.66 -0.34 0.00 -0.01 0.00 0.00 64.34 63.24 3h0c n VAL 646 Cb 0.33 -0.40 -0.11 0.00 -0.91 0.00 0.00 33.84 32.74 3h0c n VAL 646 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3h0c s PHE 647 N -3.04 3.00 0.01 3.52 0.40 -1.26 -4.58 117.98 116.03 3h0c s PHE 647 Ca -0.06 -0.06 -0.09 0.00 -0.60 0.00 0.00 56.93 56.12 3h0c s PHE 647 Cb 0.10 -1.80 -0.31 0.00 0.51 0.00 0.00 43.02 41.52 3h0c s PHE 647 CO 0.84 0.23 0.90 -0.22 0.70 0.00 0.00 175.22 177.68 3h0c h LYS 648 N 5.70 0.37 -3.06 0.44 3.64 -1.47 -3.45 116.57 118.75 3h0c h LYS 648 Ca -0.43 -0.64 0.05 0.00 -1.27 0.00 0.00 60.65 58.36 3h0c h LYS 648 Cb 1.18 0.24 -0.06 0.00 -0.41 0.00 0.00 32.23 33.18 3h0c h LYS 648 CO 0.56 1.28 0.19 0.00 -2.27 0.00 0.00 179.45 179.21 3h0c s GLY 650 N -2.92 -0.34 -0.09 0.00 0.00 0.62 -2.51 107.32 102.07 3h0c s GLY 650 Ca 0.12 0.37 0.03 0.00 0.00 0.00 0.00 44.72 45.24 3h0c s GLY 650 CO 0.06 0.11 -0.17 -0.42 0.00 0.00 0.00 173.10 172.69 3h0c s ILE 651 N -3.41 1.55 -0.12 0.90 1.01 0.13 -1.92 121.20 119.33 3h0c s ILE 651 Ca 0.08 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.05 3h0c s ILE 651 Cb -0.02 -1.38 -0.01 0.00 0.01 0.00 0.00 42.46 41.06 3h0c s ILE 651 CO -0.03 0.45 -0.18 0.00 0.00 0.00 0.00 174.94 175.18 3h0c s ALA 652 N 0.71 2.41 -0.20 9.38 0.00 -0.38 -1.87 121.76 131.81 3h0c s ALA 652 Ca -0.12 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 50.89 3h0c s ALA 652 Cb -0.16 -1.05 0.04 0.00 0.00 0.00 0.00 23.12 21.95 3h0c s ALA 652 CO 0.03 0.21 -0.14 0.08 0.00 0.00 0.00 175.76 175.94 3h0c s VAL 653 N 0.44 1.86 -1.28 0.00 1.01 -0.56 -1.77 120.40 120.10 3h0c s VAL 653 Ca -0.13 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.77 3h0c s VAL 653 Cb -0.17 -1.85 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 3h0c s VAL 653 CO 0.06 0.27 0.74 0.00 0.00 0.00 0.00 175.10 176.16 3h0c n ALA 654 N 4.62 -2.04 -1.91 5.51 0.00 0.16 -1.61 120.51 125.24 3h0c n ALA 654 Ca -0.17 -0.15 -0.34 0.00 0.00 0.00 0.00 53.44 52.78 3h0c n ALA 654 Cb 0.47 -2.12 -0.07 0.00 0.00 0.00 0.00 19.45 17.74 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 -5.87 4.26 0.56 0.00 0.04 -1.26 -3.69 135.00 129.03 3h0c s PRO 655 Ca 0.02 1.04 -0.20 0.00 0.04 0.00 0.00 61.00 61.90 3h0c s PRO 655 Cb -0.01 -2.45 -0.05 0.00 0.04 0.00 0.00 34.50 32.03 3h0c s PRO 655 CO 0.80 0.13 1.21 0.08 0.04 0.00 0.00 177.00 179.26 3h0c s VAL 656 N -1.93 2.70 0.00 -0.36 1.01 -1.25 -4.37 120.40 116.19 3h0c s VAL 656 Ca 0.55 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.99 3h0c s VAL 656 Cb -0.12 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.06 3h0c s VAL 656 CO 0.17 -0.07 0.00 -1.54 0.00 0.00 0.00 175.10 173.66 3h0c n SER 657 N -1.30 2.40 -3.74 3.32 3.41 -1.26 -4.22 113.62 112.22 3h0c n SER 657 Ca 0.12 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.61 3h0c n SER 657 Cb 0.49 0.29 -0.12 0.00 -0.26 0.00 0.00 64.21 64.61 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 -1.38 0.31 0.54 4.33 3.52 -1.26 -1.00 118.95 124.02 3h0c s ARG 658 Ca 0.00 0.52 0.34 0.00 -0.13 0.00 0.00 55.73 56.46 3h0c s ARG 658 Cb 0.00 0.05 1.48 0.00 -1.56 0.00 0.00 34.95 34.92 3h0c s ARG 658 CO 0.00 -0.10 2.01 -1.49 -0.81 0.00 0.00 175.30 174.91 3h0c h TRP 659 N 6.38 0.00 0.00 5.12 4.06 -1.88 -2.40 115.95 127.23 3h0c h TRP 659 Ca -0.32 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.60 3h0c h TRP 659 Cb 1.18 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.33 3h0c h TRP 659 CO 0.36 0.00 -0.12 0.93 -3.56 0.00 0.00 178.44 176.05 3h0c h GLU 660 N 0.00 0.00 0.00 0.49 5.08 -1.91 -2.96 114.58 115.28 3h0c h GLU 660 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h0c h GLU 660 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3h0c h GLU 660 CO 0.00 0.12 0.00 1.88 -1.00 0.00 0.00 179.01 180.01 3h0c h TYR 661 N 0.00 0.00 -2.52 4.33 0.05 -1.81 -3.26 116.97 113.76 3h0c h TYR 661 Ca -0.00 0.00 -0.45 0.00 0.05 0.00 0.00 58.73 58.33 3h0c h TYR 661 Cb 0.48 0.00 0.07 0.00 1.01 0.00 0.00 36.73 38.29 3h0c h TYR 661 CO 0.00 0.00 0.06 -0.47 -1.05 0.00 0.00 178.16 176.70 3h0c s TYR 662 N -3.22 2.31 0.48 4.88 5.04 -1.12 -4.85 117.35 120.88 3h0c s TYR 662 Ca 0.08 -0.07 -0.20 0.00 -2.44 0.00 0.00 57.07 54.44 3h0c s TYR 662 Cb 0.08 -2.92 -0.09 0.00 0.35 0.00 0.00 41.96 39.38 3h0c s TYR 662 CO 0.62 -1.31 1.02 0.16 -1.34 0.00 0.00 175.55 174.70 3h0c s ASP 663 N -4.57 6.45 0.10 4.32 1.47 -1.26 -0.99 116.67 122.19 3h0c s ASP 663 Ca 0.62 1.86 -0.29 0.00 1.18 0.00 0.00 52.55 55.92 3h0c s ASP 663 Cb -0.08 -2.55 -0.11 0.00 -0.34 0.00 0.00 42.92 39.83 3h0c s ASP 663 CO 0.42 -0.70 1.63 0.77 0.68 0.00 0.00 175.17 177.97 3h0c h SER 664 N 1.55 -0.79 -0.44 2.11 4.64 -1.60 -2.12 113.55 116.90 3h0c h SER 664 Ca -0.49 0.08 0.09 0.00 -0.47 0.00 0.00 61.79 60.99 3h0c h SER 664 Cb 1.21 0.28 -0.08 0.00 -0.31 0.00 0.00 62.40 63.50 3h0c h SER 664 CO 0.59 -0.40 -0.06 0.58 -0.87 0.00 0.00 176.83 176.67 3h0c h VAL 665 N -0.58 0.61 0.13 0.95 2.07 -1.94 0.97 116.25 118.46 3h0c h VAL 665 Ca 0.00 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3h0c h VAL 665 Cb 0.55 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3h0c h VAL 665 CO -0.09 0.01 -0.06 0.22 0.02 0.00 0.00 177.57 177.67 3h0c h TYR 666 N 0.05 -0.16 0.07 1.57 5.03 -1.95 -2.99 116.97 118.59 3h0c h TYR 666 Ca 0.21 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.52 3h0c h TYR 666 Cb 0.32 0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.66 3h0c h TYR 666 CO -0.34 0.32 -0.03 1.15 -1.32 0.00 0.00 178.16 177.94 3h0c h THR 667 N -0.85 0.98 -0.01 1.81 2.02 -1.19 -2.92 112.91 112.74 3h0c h THR 667 Ca -0.02 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 3h0c h THR 667 Cb 0.55 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 3h0c h THR 667 CO 0.03 0.04 -0.11 -0.33 0.37 0.00 0.00 175.52 175.52 3h0c h GLU 668 N -0.17 0.01 -0.72 6.66 5.08 -0.96 0.45 114.58 124.94 3h0c h GLU 668 Ca -0.01 -0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.49 3h0c h GLU 668 Cb 0.14 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.29 3h0c h GLU 668 CO 0.02 0.12 0.23 -0.09 -1.00 0.00 0.00 179.01 178.29 3h0c h ARG 669 N 0.01 0.34 0.00 2.33 2.43 -1.35 -1.77 114.38 116.38 3h0c h ARG 669 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3h0c h ARG 669 Cb 0.20 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3h0c h ARG 669 CO 0.01 0.23 -1.08 0.66 -1.51 0.00 0.00 179.97 178.28 3h0c n TYR 670 N -5.07 0.00 0.11 2.20 4.01 -0.83 -4.68 117.16 112.89 3h0c n TYR 670 Ca 0.13 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.88 3h0c n TYR 670 Cb 0.41 -0.14 -0.01 0.00 -0.31 0.00 0.00 39.34 39.29 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 -1.62 5.23 0.00 -0.72 2.81 0.09 -0.22 117.12 122.69 3h0c n MET 671 Ca 0.00 -0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 3h0c n MET 671 Cb 0.27 -0.67 0.00 0.00 -0.71 0.00 0.00 33.22 32.11 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 0.92 -0.43 3.87 3.03 0.00 -0.67 -4.68 105.19 107.23 3h0c n GLY 672 Ca 0.01 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.59 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 4.31 -1.40 0.99 1.43 -1.26 -4.27 118.68 118.48 3h0c s LEU 673 Ca 0.00 0.84 -0.07 0.00 -1.03 0.00 0.00 54.13 53.88 3h0c s LEU 673 Cb 0.00 -3.17 0.07 0.00 0.03 0.00 0.00 46.19 43.12 3h0c s LEU 673 CO 0.00 0.11 2.52 -0.81 0.23 0.00 0.00 176.35 178.40 3h0c n PRO 674 N 0.65 4.35 -4.42 1.29 -0.04 -1.26 -2.12 135.00 133.45 3h0c n PRO 674 Ca -0.06 -3.15 -0.22 0.00 -0.04 0.00 0.00 63.50 60.04 3h0c n PRO 674 Cb 0.52 -2.68 -0.10 0.00 -0.04 0.00 0.00 33.50 31.20 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 -0.27 2.03 0.23 0.52 -4.23 -1.26 -4.68 115.64 107.97 3h0c s THR 675 Ca 0.58 -2.26 -0.06 0.00 -1.18 0.00 0.00 61.69 58.76 3h0c s THR 675 Cb 0.18 -2.27 0.18 0.00 1.34 0.00 0.00 72.50 71.94 3h0c s THR 675 CO -0.08 -0.44 1.80 -0.65 -0.54 0.00 0.00 174.62 174.71 3h0c h PRO 676 N 2.35 0.68 -0.13 3.99 0.11 -1.97 -1.64 132.00 135.39 3h0c h PRO 676 Ca -0.39 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.71 3h0c h PRO 676 Cb 1.24 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3h0c h PRO 676 CO 0.63 0.45 0.13 0.93 -0.21 0.00 0.00 178.00 179.93 3h0c h GLU 677 N 0.70 0.00 0.00 1.05 3.07 -1.97 -3.43 114.58 114.00 3h0c h GLU 677 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 3h0c h GLU 677 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3h0c h GLU 677 CO -0.24 0.00 0.00 -3.47 -1.40 0.00 0.00 179.01 173.90 3h0c n ASP 678 N -3.94 0.00 -0.24 1.42 -0.08 -0.65 -5.04 116.55 108.03 3h0c n ASP 678 Ca 0.00 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.37 3h0c n ASP 678 Cb 0.24 0.00 0.16 0.00 2.34 0.00 0.00 41.12 43.86 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 2.19 -0.34 1.67 4.05 -0.90 -4.75 115.26 117.19 3h0c n ASN 679 Ca 0.00 -3.32 0.15 0.00 0.45 0.00 0.00 54.58 51.86 3h0c n ASN 679 Cb 0.00 -0.46 0.35 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 0.31 0.64 -0.45 1.20 6.46 -1.58 -2.55 115.31 119.33 3h0c h LEU 680 Ca 0.00 0.13 0.05 0.00 -0.12 0.00 0.00 57.88 57.94 3h0c h LEU 680 Cb 1.01 0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.89 3h0c h LEU 680 CO 0.01 0.13 -0.49 0.44 -0.62 0.00 0.00 178.44 177.91 3h0c h ASP 681 N 0.60 -1.68 0.76 1.25 3.45 -1.85 -1.15 116.42 117.80 3h0c h ASP 681 Ca 0.61 0.23 0.00 0.00 0.43 0.00 0.00 57.03 58.29 3h0c h ASP 681 Cb 1.09 0.70 0.00 0.00 -0.56 0.00 0.00 39.33 40.56 3h0c h ASP 681 CO -0.46 -0.33 0.00 1.57 -1.57 0.00 0.00 179.24 178.46 3h0c n HIS 682 N -5.02 0.00 -0.02 4.55 -0.00 -1.03 -1.30 115.22 112.40 3h0c n HIS 682 Ca -0.02 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.03 3h0c n HIS 682 Cb 0.29 -0.38 -0.08 0.00 -0.12 0.00 0.00 29.99 29.69 3h0c n HIS 682 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 3h0c h TYR 683 N 0.00 0.10 0.00 1.57 -1.99 -0.97 -3.15 116.97 112.54 3h0c h TYR 683 Ca 0.00 -0.02 -0.12 0.00 2.00 0.00 0.00 58.73 60.59 3h0c h TYR 683 Cb 0.38 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.07 3h0c h TYR 683 CO 0.00 0.45 -0.56 -0.09 -0.00 0.00 0.00 178.16 177.96 3h0c h ARG 684 N -0.27 0.00 0.00 4.88 2.43 -0.88 -3.22 114.38 117.32 3h0c h ARG 684 Ca 0.01 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3h0c h ARG 684 Cb 0.42 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3h0c h ARG 684 CO 0.01 0.56 -0.04 -0.91 -1.51 0.00 0.00 179.97 178.08 3h0c h ASN 685 N 0.00 0.00 -0.37 -3.80 4.21 -1.28 -3.37 115.58 110.97 3h0c h ASN 685 Ca -0.01 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.35 3h0c h ASN 685 Cb 1.07 0.00 -0.09 0.00 -1.12 0.00 0.00 38.32 38.18 3h0c h ASN 685 CO 0.07 0.04 -0.01 -1.54 -1.29 0.00 0.00 177.43 174.71 3h0c n SER 686 N -3.12 2.95 -4.88 5.81 3.41 -1.19 -5.01 113.62 111.59 3h0c n SER 686 Ca 0.02 -3.55 -0.31 0.00 -0.26 0.00 0.00 58.87 54.77 3h0c n SER 686 Cb 0.45 -0.62 -0.05 0.00 -0.26 0.00 0.00 64.21 63.73 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 -3.13 4.88 0.20 6.66 -4.23 -1.26 -4.84 115.64 113.93 3h0c s THR 687 Ca 0.45 0.48 -0.10 0.00 -1.18 0.00 0.00 61.69 61.33 3h0c s THR 687 Cb 0.39 -3.67 0.14 0.00 1.34 0.00 0.00 72.50 70.71 3h0c s THR 687 CO 0.03 -0.24 1.83 0.58 -0.54 0.00 0.00 174.62 176.29 3h0c h VAL 688 N 1.66 1.22 -0.77 2.29 2.07 -1.42 -3.30 116.25 118.00 3h0c h VAL 688 Ca -0.47 -0.51 0.16 0.00 0.82 0.00 0.00 66.70 66.70 3h0c h VAL 688 Cb 1.18 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 3h0c h VAL 688 CO 0.67 0.23 0.52 0.24 0.02 0.00 0.00 177.57 179.25 3h0c h MET 689 N 1.01 0.37 0.00 1.57 2.86 -1.93 -0.63 114.93 118.19 3h0c h MET 689 Ca 0.26 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3h0c h MET 689 Cb -0.00 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.57 3h0c h MET 689 CO -0.05 0.25 0.00 -1.13 1.06 0.00 0.00 176.91 177.04 3h0c n SER 690 N -4.47 0.00 -0.88 1.22 3.41 -1.24 -2.99 113.62 108.67 3h0c n SER 690 Ca 0.15 -0.07 0.08 0.00 -0.26 0.00 0.00 58.87 58.76 3h0c n SER 690 Cb 0.57 -0.29 0.21 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.29 2.87 -0.13 4.33 1.74 -0.24 -4.77 116.66 119.17 3h0c n ARG 691 Ca 0.12 -2.28 -0.04 0.00 -0.77 0.00 0.00 57.85 54.88 3h0c n ARG 691 Cb 0.21 -1.40 0.03 0.00 -1.02 0.00 0.00 32.46 30.29 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 2.72 0.36 -0.81 7.54 0.00 -1.60 -2.26 119.26 125.21 3h0c h ALA 692 Ca 0.00 0.13 0.20 0.00 0.00 0.00 0.00 54.91 55.24 3h0c h ALA 692 Cb 0.86 0.23 -0.13 0.00 0.00 0.00 0.00 17.79 18.75 3h0c h ALA 692 CO 0.02 -0.41 0.14 0.93 0.00 0.00 0.00 179.25 179.93 3h0c h GLU 693 N 0.08 0.18 0.00 0.00 4.39 -1.87 -1.24 114.58 116.12 3h0c h GLU 693 Ca 0.21 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.89 3h0c h GLU 693 Cb 0.30 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3h0c h GLU 693 CO -0.36 0.12 0.00 -0.91 -1.16 0.00 0.00 179.01 176.70 3h0c h ASN 694 N 0.19 0.00 0.20 1.42 2.35 -1.68 -2.33 115.58 115.73 3h0c h ASN 694 Ca 0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.23 3h0c h ASN 694 Cb 0.89 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.26 3h0c h ASN 694 CO -0.63 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 175.64 3h0c n PHE 695 N -2.66 0.00 0.24 1.19 3.01 -0.47 -2.35 117.46 116.42 3h0c n PHE 695 Ca -0.01 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.52 3h0c n PHE 695 Cb 0.10 -0.22 0.57 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 0.00 -1.08 1.57 -1.60 -3.11 116.57 112.35 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 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3h0c h LYS 696 CO 0.00 0.14 -0.30 1.04 -0.57 0.00 0.00 179.45 179.76 3h0c n GLN 697 N -4.25 0.21 -4.37 3.15 6.02 -0.99 -4.95 117.38 112.20 3h0c n GLN 697 Ca -0.02 0.11 -0.19 0.00 -0.01 0.00 0.00 57.00 56.88 3h0c n GLN 697 Cb 0.21 -1.68 -0.10 0.00 1.02 0.00 0.00 30.24 29.69 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 -3.10 1.60 -0.28 5.09 -7.23 -1.18 -4.93 120.40 110.37 3h0c s VAL 698 Ca 0.09 -2.15 -0.12 0.00 -1.81 0.00 0.00 61.98 57.99 3h0c s VAL 698 Cb 0.14 -2.22 -0.05 0.00 0.56 0.00 0.00 36.38 34.81 3h0c s VAL 698 CO 0.65 -0.46 0.25 -1.61 -0.31 0.00 0.00 175.10 173.62 3h0c s GLU 699 N -3.71 3.97 0.05 4.82 2.02 -0.71 -4.97 118.70 120.17 3h0c s GLU 699 Ca 0.26 -0.21 0.06 0.00 0.02 0.00 0.00 54.97 55.10 3h0c s GLU 699 Cb 0.02 -3.66 -0.03 0.00 0.10 0.00 0.00 34.13 30.56 3h0c s GLU 699 CO 0.09 -0.21 -0.13 -0.47 0.02 0.00 0.00 175.26 174.56 3h0c s TYR 700 N 1.85 2.70 -0.09 1.61 5.04 -1.26 -0.28 117.35 126.92 3h0c s TYR 700 Ca 0.09 -0.17 -0.02 0.00 -2.44 0.00 0.00 57.07 54.54 3h0c s TYR 700 Cb -0.16 -1.50 0.03 0.00 0.35 0.00 0.00 41.96 40.69 3h0c s TYR 700 CO 0.11 0.33 0.01 -1.17 -1.34 0.00 0.00 175.55 173.49 3h0c s LEU 701 N -1.63 0.66 -0.17 6.97 2.96 -0.81 -1.21 118.68 125.45 3h0c s LEU 701 Ca 0.17 -0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 53.82 3h0c s LEU 701 Cb -0.11 -0.45 -0.03 0.00 0.50 0.00 0.00 46.19 46.11 3h0c s LEU 701 CO 0.08 -0.22 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.65 3h0c s LEU 702 N 1.97 3.32 -0.04 -0.68 2.96 0.06 -1.25 118.68 125.01 3h0c s LEU 702 Ca 0.04 -0.12 -0.00 0.00 -0.22 0.00 0.00 54.13 53.83 3h0c s LEU 702 Cb -0.13 -1.81 0.03 0.00 0.50 0.00 0.00 46.19 44.77 3h0c s LEU 702 CO -0.06 0.15 0.01 -0.63 -1.32 0.00 0.00 176.35 174.50 3h0c s ILE 703 N 0.48 0.22 -0.00 6.68 1.01 -0.73 0.11 121.20 128.97 3h0c s ILE 703 Ca -0.02 0.13 -0.05 0.00 0.00 0.00 0.00 60.65 60.70 3h0c s ILE 703 Cb -0.14 -0.35 -0.00 0.00 0.01 0.00 0.00 42.46 41.98 3h0c s ILE 703 CO 0.02 0.19 0.10 -2.28 0.00 0.00 0.00 174.94 172.98 3h0c s HIS 704 N 1.45 0.06 0.16 3.97 2.46 -0.44 0.40 115.29 123.35 3h0c s HIS 704 Ca -0.04 -0.15 -0.19 0.00 0.47 0.00 0.00 55.06 55.16 3h0c s HIS 704 Cb -0.13 -0.06 -0.07 0.00 -0.13 0.00 0.00 32.58 32.18 3h0c s HIS 704 CO -0.03 -0.24 0.65 0.20 -2.47 0.00 0.00 174.74 172.85 3h0c s GLY 705 N -1.20 2.62 0.26 1.59 0.00 -1.26 -0.25 107.32 109.07 3h0c s GLY 705 Ca -0.13 0.08 0.13 0.00 0.00 0.00 0.00 44.72 44.79 3h0c s GLY 705 CO 0.01 0.44 1.51 -0.91 0.00 0.00 0.00 173.10 174.16 3h0c h THR 706 N 3.00 1.25 -1.00 0.90 1.35 -0.84 -3.23 112.91 114.35 3h0c h THR 706 Ca -0.48 -2.36 -0.52 0.00 -0.55 0.00 0.00 66.41 62.49 3h0c h THR 706 Cb 1.20 2.35 -0.31 0.00 -1.73 0.00 0.00 68.15 69.66 3h0c h THR 706 CO 0.65 0.63 0.66 0.00 -0.25 0.00 0.00 175.52 177.21 3h0c n ALA 707 N -2.33 5.62 -2.49 6.62 0.00 -0.16 -4.71 120.51 123.07 3h0c n ALA 707 Ca 0.00 -2.91 -0.43 0.00 0.00 0.00 0.00 53.44 50.10 3h0c n ALA 707 Cb 0.71 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.31 6.40 0.17 0.00 -1.08 -1.18 -4.07 116.67 115.60 3h0c s ASP 708 Ca 0.57 0.43 0.24 0.00 -0.52 0.00 0.00 52.55 53.27 3h0c s ASP 708 Cb 0.48 -2.55 0.35 0.00 -1.46 0.00 0.00 42.92 39.74 3h0c s ASP 708 CO 0.11 -1.45 1.35 -2.24 0.52 0.00 0.00 175.17 173.46 3h0c h ASP 709 N 10.07 0.00 0.00 -0.34 2.03 -1.91 -3.34 116.42 122.93 3h0c h ASP 709 Ca -0.25 -0.14 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 3h0c h ASP 709 Cb 1.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.58 3h0c h ASP 709 CO 1.14 0.07 0.00 -3.20 -1.03 0.00 0.00 179.24 176.22 3h0c n ASN 710 N -2.29 0.00 -4.44 4.15 4.05 -1.26 -4.74 115.26 110.73 3h0c n ASN 710 Ca 0.03 0.05 -0.44 0.00 0.45 0.00 0.00 54.58 54.67 3h0c n ASN 710 Cb 0.46 -0.08 -0.06 0.00 1.23 0.00 0.00 39.78 41.33 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 -0.17 4.79 0.41 3.44 1.01 -1.26 -4.87 120.40 123.75 3h0c s VAL 711 Ca 0.00 -0.47 -0.25 0.00 0.00 0.00 0.00 61.98 61.25 3h0c s VAL 711 Cb 0.00 -4.37 -0.08 0.00 0.00 0.00 0.00 36.38 31.93 3h0c s VAL 711 CO 0.00 -0.91 1.26 -1.00 0.00 0.00 0.00 175.10 174.45 3h0c s HIS 712 N 2.83 2.88 0.46 5.22 3.76 -1.25 -4.72 115.29 124.46 3h0c s HIS 712 Ca 0.17 1.46 0.29 0.00 -0.15 0.00 0.00 55.06 56.83 3h0c s HIS 712 Cb -0.19 -3.57 1.38 0.00 1.11 0.00 0.00 32.58 31.30 3h0c s HIS 712 CO 0.12 -1.85 1.70 0.35 -0.85 0.00 0.00 174.74 174.20 3h0c h PHE 713 N 2.58 0.42 -0.90 1.40 3.57 -1.77 0.25 116.94 122.49 3h0c h PHE 713 Ca -0.49 0.02 0.30 0.00 3.53 0.00 0.00 57.97 61.33 3h0c h PHE 713 Cb 1.25 -0.11 -0.16 0.00 2.79 0.00 0.00 35.95 39.71 3h0c h PHE 713 CO 0.53 -0.07 0.22 0.94 -2.23 0.00 0.00 178.31 177.71 3h0c n GLN 714 N -4.51 -0.06 0.08 1.11 7.27 -1.26 -1.07 117.38 118.94 3h0c n GLN 714 Ca 0.32 1.30 -0.13 0.00 0.07 0.00 0.00 57.00 58.56 3h0c n GLN 714 Cb 1.28 -2.18 -0.08 0.00 2.41 0.00 0.00 30.24 31.67 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 -0.14 -0.29 3.69 4.20 -1.26 -0.52 115.11 120.79 3h0c h GLN 715 Ca 0.64 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.33 3h0c h GLN 715 Cb 1.52 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.32 3h0c h GLN 715 CO -0.78 -0.00 0.08 0.77 -0.67 0.00 0.00 178.83 178.23 3h0c h SER 716 N -0.25 0.44 -0.98 1.46 0.02 -1.54 -2.86 113.55 109.83 3h0c h SER 716 Ca -0.01 -0.22 0.26 0.00 -0.84 0.00 0.00 61.79 60.97 3h0c h SER 716 Cb 0.20 -0.11 -0.13 0.00 0.14 0.00 0.00 62.40 62.50 3h0c h SER 716 CO 0.02 0.54 0.55 0.00 -1.14 0.00 0.00 176.83 176.80 3h0c h ALA 717 N 0.91 1.76 -0.19 3.77 0.00 -0.88 0.54 119.26 125.17 3h0c h ALA 717 Ca 0.09 0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.95 3h0c h ALA 717 Cb 0.27 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3h0c h ALA 717 CO -0.00 -0.35 -0.67 1.96 0.00 0.00 0.00 179.25 180.18 3h0c h GLN 718 N 0.48 0.74 0.19 0.00 1.08 -0.98 -2.64 115.11 113.98 3h0c h GLN 718 Ca 0.65 -0.54 0.01 0.00 -1.45 0.00 0.00 58.65 57.32 3h0c h GLN 718 Cb 1.30 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.80 3h0c h GLN 718 CO -0.52 1.16 -0.22 0.82 -0.95 0.00 0.00 178.83 179.12 3h0c h ILE 719 N 0.53 0.53 -0.83 2.54 2.04 -0.74 -2.22 117.51 119.36 3h0c h ILE 719 Ca -0.02 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.90 3h0c h ILE 719 Cb 1.28 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 3h0c h ILE 719 CO 0.14 0.00 0.51 0.77 0.00 0.00 0.00 178.15 179.57 3h0c h SER 720 N -0.45 0.81 -0.12 1.72 4.64 -1.12 -1.26 113.55 117.76 3h0c h SER 720 Ca 0.01 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3h0c h SER 720 Cb 0.43 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 3h0c h SER 720 CO -0.07 0.52 0.06 0.50 -0.87 0.00 0.00 176.83 176.98 3h0c h LYS 721 N 0.94 0.17 -0.80 4.77 3.64 -1.34 -1.85 116.57 122.10 3h0c h LYS 721 Ca 0.36 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.80 3h0c h LYS 721 Cb 0.15 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.87 3h0c h LYS 721 CO -0.17 0.22 0.46 0.00 -2.27 0.00 0.00 179.45 177.69 3h0c h ALA 722 N 0.95 1.12 -0.56 5.00 0.00 -0.87 0.25 119.26 125.14 3h0c h ALA 722 Ca 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3h0c h ALA 722 Cb 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3h0c h ALA 722 CO -0.01 0.12 0.27 -0.07 0.00 0.00 0.00 179.25 179.56 3h0c h LEU 723 N 0.80 0.74 -0.62 0.00 3.38 -0.94 -2.53 115.31 116.14 3h0c h LEU 723 Ca 0.37 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3h0c h LEU 723 Cb 0.29 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3h0c h LEU 723 CO -0.22 0.66 0.34 0.58 0.09 0.00 0.00 178.44 179.90 3h0c h VAL 724 N 0.76 1.20 -0.08 1.22 2.07 -0.82 -1.32 116.25 119.28 3h0c h VAL 724 Ca 0.19 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.25 3h0c h VAL 724 Cb 0.13 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3h0c h VAL 724 CO -0.02 0.21 0.24 0.44 0.02 0.00 0.00 177.57 178.46 3h0c h ASP 725 N 0.84 0.00 0.00 0.57 3.32 -0.09 -1.33 116.42 119.72 3h0c h ASP 725 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3h0c h ASP 725 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3h0c h ASP 725 CO -0.04 0.00 -0.08 0.55 -1.72 0.00 0.00 179.24 177.95 3h0c n VAL 726 N -3.20 1.18 -2.94 -1.35 3.14 -1.14 -5.04 118.33 108.99 3h0c n VAL 726 Ca -0.01 -1.37 -0.11 0.00 -2.96 0.00 0.00 64.34 59.90 3h0c n VAL 726 Cb 0.32 0.18 0.04 0.00 -1.06 0.00 0.00 33.84 33.32 3h0c n VAL 726 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3h0c n GLY 727 N -0.84 0.20 3.49 7.55 0.00 -0.50 -4.98 105.19 110.11 3h0c n GLY 727 Ca 0.08 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.16 4.53 0.37 1.61 1.01 -0.54 -5.03 120.40 119.19 3h0c s VAL 728 Ca 0.21 -0.10 -0.25 0.00 0.00 0.00 0.00 61.98 61.84 3h0c s VAL 728 Cb -0.09 -3.11 -0.09 0.00 0.00 0.00 0.00 36.38 33.08 3h0c s VAL 728 CO 0.35 0.34 1.02 -0.62 0.00 0.00 0.00 175.10 176.19 3h0c s ASP 729 N 1.45 6.95 0.17 3.32 2.15 -1.26 -4.50 116.67 124.95 3h0c s ASP 729 Ca 0.06 2.00 -0.24 0.00 0.43 0.00 0.00 52.55 54.79 3h0c s ASP 729 Cb -0.15 -2.59 0.06 0.00 -0.30 0.00 0.00 42.92 39.94 3h0c s ASP 729 CO 0.04 -0.35 0.84 0.72 -0.17 0.00 0.00 175.17 176.25 3h0c s PHE 730 N -1.62 -0.22 0.05 -5.34 -0.71 -1.26 -4.79 117.98 104.10 3h0c s PHE 730 Ca 0.55 -0.10 0.03 0.00 -1.04 0.00 0.00 56.93 56.36 3h0c s PHE 730 Cb -0.22 0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 42.20 3h0c s PHE 730 CO 0.27 -0.92 0.04 -0.65 -1.34 0.00 0.00 175.22 172.63 3h0c s GLN 731 N -3.50 2.80 0.05 1.99 -1.52 -0.35 -5.03 119.66 114.10 3h0c s GLN 731 Ca 0.10 -0.68 0.00 0.00 -1.95 0.00 0.00 55.36 52.83 3h0c s GLN 731 Cb -0.03 -2.69 -0.03 0.00 -0.22 0.00 0.00 33.01 30.04 3h0c s GLN 731 CO 0.01 0.58 -0.04 0.00 -0.25 0.00 0.00 175.29 175.59 3h0c s ALA 732 N -1.27 0.48 -0.23 6.09 0.00 -1.26 -0.76 121.76 124.80 3h0c s ALA 732 Ca 0.25 -0.99 -0.09 0.00 0.00 0.00 0.00 51.96 51.13 3h0c s ALA 732 Cb -0.12 0.19 0.09 0.00 0.00 0.00 0.00 23.12 23.28 3h0c s ALA 732 CO 0.17 -0.24 0.52 -1.64 0.00 0.00 0.00 175.76 174.57 3h0c s MET 733 N -2.87 0.46 0.10 0.00 -1.94 0.12 -4.90 119.30 110.27 3h0c s MET 733 Ca -0.01 1.14 0.03 0.00 -1.71 0.00 0.00 55.69 55.13 3h0c s MET 733 Cb -0.00 0.39 -0.04 0.00 2.01 0.00 0.00 34.83 37.19 3h0c s MET 733 CO -0.05 -0.21 0.13 1.67 -0.01 0.00 0.00 175.02 176.56 3h0c s TRP 734 N 2.34 3.26 -0.21 -0.03 -2.14 -1.26 -1.33 118.94 119.57 3h0c s TRP 734 Ca -0.05 0.09 0.02 0.00 2.66 0.00 0.00 56.10 58.81 3h0c s TRP 734 Cb -0.10 -1.62 0.04 0.00 -3.10 0.00 0.00 33.47 28.68 3h0c s TRP 734 CO -0.16 0.53 -0.15 0.71 -2.66 0.00 0.00 176.95 175.23 3h0c s TYR 735 N -1.53 2.89 -0.09 1.66 2.02 0.65 -4.93 117.35 118.02 3h0c s TYR 735 Ca 0.31 -1.89 -0.30 0.00 -0.37 0.00 0.00 57.07 54.82 3h0c s TYR 735 Cb -0.12 -1.86 -0.03 0.00 -0.40 0.00 0.00 41.96 39.55 3h0c s TYR 735 CO 0.24 -0.82 1.37 0.99 -1.57 0.00 0.00 175.55 175.76 3h0c s THR 736 N 1.24 4.01 0.00 -0.71 2.01 -1.26 -0.65 115.64 120.27 3h0c s THR 736 Ca -0.02 1.27 0.00 0.00 0.31 0.00 0.00 61.69 63.26 3h0c s THR 736 Cb -0.16 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.53 3h0c s THR 736 CO -0.09 -0.08 0.00 0.47 -0.69 0.00 0.00 174.62 174.23 3h0c n ASP 737 N 6.31 -1.49 -4.81 3.53 8.00 -1.26 -4.92 116.55 121.91 3h0c n ASP 737 Ca 0.14 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.28 3h0c n ASP 737 Cb 0.44 -1.19 -0.06 0.00 -0.02 0.00 0.00 41.12 40.29 3h0c n ASP 737 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3h0c s GLU 738 N -0.51 4.33 0.00 -1.24 0.41 -1.15 -4.64 118.70 115.90 3h0c s GLU 738 Ca 0.00 1.01 0.00 0.00 -0.41 0.00 0.00 54.97 55.57 3h0c s GLU 738 Cb 0.00 -2.79 0.00 0.00 -1.78 0.00 0.00 34.13 29.56 3h0c s GLU 738 CO 0.00 0.32 0.00 -0.40 -0.49 0.00 0.00 175.26 174.69 3h0c n ASP 739 N 0.52 0.00 0.11 -0.19 5.68 -1.26 -0.99 116.55 120.42 3h0c n ASP 739 Ca -0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.25 3h0c n ASP 739 Cb 0.51 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.57 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 0.09 0.00 2.11 -0.00 -1.92 -3.19 115.15 112.24 3h0c h HIS 740 Ca 0.00 -0.04 -0.11 0.00 -0.00 0.00 0.00 60.37 60.22 3h0c h HIS 740 Cb 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.38 3h0c h HIS 740 CO 0.00 0.77 -0.50 0.78 -0.00 0.00 0.00 177.93 178.98 3h0c h GLY 741 N 2.01 0.00 -6.89 5.26 0.00 -1.99 -3.48 103.07 97.99 3h0c h GLY 741 Ca -0.01 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.73 3h0c h GLY 741 CO 0.10 0.00 -0.99 1.39 0.00 0.00 0.00 176.54 177.04 3h0c n ILE 742 N -3.41 -2.63 0.58 2.60 5.41 -1.21 -4.88 119.36 115.83 3h0c n ILE 742 Ca 0.01 -0.61 0.07 0.00 1.00 0.00 0.00 62.75 63.22 3h0c n ILE 742 Cb 0.64 -2.20 0.04 0.00 -0.71 0.00 0.00 39.64 37.42 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 -4.83 2.63 -1.78 -1.39 0.00 -1.26 -3.51 120.51 110.37 3h0c n ALA 743 Ca -0.18 -0.58 -0.41 0.00 0.00 0.00 0.00 53.44 52.28 3h0c n ALA 743 Cb 0.61 -0.47 -0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 -1.30 6.34 0.18 0.00 1.04 -1.26 -4.76 113.70 113.94 3h0c s SER 744 Ca 0.15 3.02 -0.20 0.00 0.48 0.00 0.00 55.95 59.40 3h0c s SER 744 Cb 0.11 -2.67 0.12 0.00 0.10 0.00 0.00 66.02 63.69 3h0c s SER 744 CO 0.22 -0.87 1.60 -1.28 0.98 0.00 0.00 173.24 173.89 3h0c h SER 745 N 2.98 -1.03 0.06 7.02 0.87 -1.99 0.97 113.55 122.42 3h0c h SER 745 Ca -0.51 0.21 -0.12 0.00 -1.23 0.00 0.00 61.79 60.14 3h0c h SER 745 Cb 1.24 0.52 -0.01 0.00 -0.44 0.00 0.00 62.40 63.71 3h0c h SER 745 CO 0.64 -0.29 -0.40 0.71 -0.53 0.00 0.00 176.83 176.95 3h0c h THR 746 N -0.16 1.30 -0.24 2.23 1.35 -1.98 -2.26 112.91 113.16 3h0c h THR 746 Ca 0.23 -1.55 -0.10 0.00 -0.55 0.00 0.00 66.41 64.43 3h0c h THR 746 Cb 0.53 1.60 -0.00 0.00 -1.73 0.00 0.00 68.15 68.55 3h0c h THR 746 CO -0.63 0.48 -0.24 0.00 -0.25 0.00 0.00 175.52 174.88 3h0c h ALA 747 N 1.20 0.35 -0.22 6.62 0.00 -1.69 -1.19 119.26 124.34 3h0c h ALA 747 Ca 0.03 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.62 3h0c h ALA 747 Cb 0.87 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 3h0c h ALA 747 CO 0.07 0.32 -0.20 1.25 0.00 0.00 0.00 179.25 180.69 3h0c h HIS 748 N 0.29 -0.52 -0.76 0.00 2.76 -0.80 -0.16 115.15 115.96 3h0c h HIS 748 Ca 0.04 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.27 3h0c h HIS 748 Cb 0.80 0.27 -0.05 0.00 1.55 0.00 0.00 27.41 29.98 3h0c h HIS 748 CO 0.08 -0.28 0.48 1.96 -1.30 0.00 0.00 177.93 178.87 3h0c h GLN 749 N -0.21 0.90 0.03 5.26 4.20 -1.38 -3.05 115.11 120.87 3h0c h GLN 749 Ca 0.13 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 3h0c h GLN 749 Cb 0.41 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3h0c h GLN 749 CO -0.35 0.60 -0.02 1.25 -0.67 0.00 0.00 178.83 179.64 3h0c h HIS 750 N 0.93 -0.04 -0.12 2.96 2.76 -0.63 -1.85 115.15 119.16 3h0c h HIS 750 Ca 0.31 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.51 3h0c h HIS 750 Cb 0.03 0.01 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 3h0c h HIS 750 CO -0.04 0.38 -0.08 0.97 -1.30 0.00 0.00 177.93 177.87 3h0c h ILE 751 N -0.48 0.75 -0.35 6.26 2.10 -1.08 0.11 117.51 124.82 3h0c h ILE 751 Ca -0.00 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.87 3h0c h ILE 751 Cb 0.45 0.75 -0.02 0.00 -1.09 0.00 0.00 36.82 36.91 3h0c h ILE 751 CO 0.01 0.00 -0.08 1.88 -1.08 0.00 0.00 178.15 178.88 3h0c h TYR 752 N -0.09 0.61 -0.63 2.19 0.05 -1.59 0.12 116.97 117.65 3h0c h TYR 752 Ca 0.07 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 3h0c h TYR 752 Cb 0.19 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 3h0c h TYR 752 CO -0.20 0.64 0.35 1.15 -1.05 0.00 0.00 178.16 179.04 3h0c h THR 753 N 0.54 1.20 -0.32 -2.88 2.02 -0.99 -1.36 112.91 111.11 3h0c h THR 753 Ca 0.10 -0.49 -0.09 0.00 0.77 0.00 0.00 66.41 66.70 3h0c h THR 753 Cb 0.46 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3h0c h THR 753 CO 0.02 0.21 -0.16 -0.74 0.37 0.00 0.00 175.52 175.23 3h0c h HIS 754 N 0.85 0.78 -0.11 3.16 -0.00 0.07 -2.85 115.15 117.05 3h0c h HIS 754 Ca 0.22 -0.19 -0.10 0.00 -0.00 0.00 0.00 60.37 60.30 3h0c h HIS 754 Cb 0.03 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.25 3h0c h HIS 754 CO -0.01 0.89 -0.37 0.52 -0.00 0.00 0.00 177.93 178.96 3h0c h MET 755 N 0.45 0.23 -0.54 5.26 2.07 -0.77 -2.67 114.93 118.95 3h0c h MET 755 Ca 0.07 -0.10 0.01 0.00 -2.07 0.00 0.00 59.70 57.61 3h0c h MET 755 Cb 0.69 -0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 30.38 3h0c h MET 755 CO 0.05 0.57 0.36 0.77 1.07 0.00 0.00 176.91 179.72 3h0c h SER 756 N 0.19 0.61 -0.37 1.22 0.02 -1.14 -2.14 113.55 111.95 3h0c h SER 756 Ca 0.02 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.87 3h0c h SER 756 Cb 0.74 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 3h0c h SER 756 CO 0.06 0.44 -0.10 0.45 -1.14 0.00 0.00 176.83 176.54 3h0c h HIS 757 N 0.72 0.88 -0.47 3.45 3.86 -1.36 -0.80 115.15 121.43 3h0c h HIS 757 Ca 0.20 -0.16 -0.12 0.00 -1.16 0.00 0.00 60.37 59.14 3h0c h HIS 757 Cb -0.07 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.16 3h0c h HIS 757 CO -0.04 0.86 -0.18 0.35 0.86 0.00 0.00 177.93 179.78 3h0c h PHE 758 N 0.73 1.05 0.05 2.45 3.57 -1.35 -2.83 116.94 120.61 3h0c h PHE 758 Ca 0.12 -0.23 -0.25 0.00 3.53 0.00 0.00 57.97 61.14 3h0c h PHE 758 Cb 0.58 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 39.08 3h0c h PHE 758 CO 0.03 1.02 -1.07 0.97 -2.23 0.00 0.00 178.31 177.03 3h0c h ILE 759 N 0.81 1.40 -0.56 1.41 6.09 -1.23 -2.71 117.51 122.72 3h0c h ILE 759 Ca 0.11 -2.58 0.01 0.00 -1.37 0.00 0.00 64.86 61.04 3h0c h ILE 759 Cb 0.73 2.59 -0.03 0.00 0.47 0.00 0.00 36.82 40.58 3h0c h ILE 759 CO 0.06 0.77 0.36 0.11 -3.07 0.00 0.00 178.15 176.38 3h0c h LYS 760 N 0.21 0.71 0.00 2.19 1.57 -1.18 -2.42 116.57 117.66 3h0c h LYS 760 Ca -0.11 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.48 3h0c h LYS 760 Cb 1.74 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.86 3h0c h LYS 760 CO 0.19 0.47 -0.67 -0.56 -0.57 0.00 0.00 179.45 178.31 3h0c h GLN 761 N 0.73 0.00 0.00 3.15 3.07 -1.56 0.55 115.11 121.05 3h0c h GLN 761 Ca 0.21 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.91 3h0c h GLN 761 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.50 3h0c h GLN 761 CO -0.06 0.67 -0.17 0.00 0.09 0.00 0.00 178.83 179.36 3h0c n PHE 763 N -3.56 0.36 -3.83 0.00 3.72 -0.93 -4.97 117.46 108.24 3h0c n PHE 763 Ca -0.01 -0.25 -0.25 0.00 -0.05 0.00 0.00 57.45 56.89 3h0c n PHE 763 Cb 0.31 -0.01 0.02 0.00 -0.94 0.00 0.00 39.48 38.86 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 1.02 -2.09 -4.42 4.37 7.64 -1.05 -4.97 113.62 114.12 3h0c n SER 764 Ca 0.14 -0.85 -0.41 0.00 1.01 0.00 0.00 58.87 58.76 3h0c n SER 764 Cb 0.48 -3.75 -0.11 0.00 -1.01 0.00 0.00 64.21 59.82 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 -6.93 4.67 0.00 -3.43 1.43 0.16 -5.04 118.68 109.54 3h0c s LEU 765 Ca 0.22 -0.83 0.30 0.00 -1.03 0.00 0.00 54.13 52.79 3h0c s LEU 765 Cb -0.11 -2.06 1.76 0.00 0.03 0.00 0.00 46.19 45.81 3h0c s LEU 765 CO 0.84 -0.35 2.10 -2.65 0.23 0.00 0.00 176.35 176.52