#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u8e n ARG 40 N 0.00 0.00 -1.66 4.33 1.74 -1.26 -4.56 116.66 115.25 1u8e n ARG 40 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 1u8e n ARG 40 Cb 0.00 0.00 0.21 0.00 -1.02 0.00 0.00 32.46 31.65 1u8e n ARG 40 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1u8e n LYS 41 N -0.90 -1.64 -3.93 5.56 0.00 -1.25 -4.63 118.16 111.36 1u8e n LYS 41 Ca 0.00 -1.93 -0.26 0.00 -0.00 0.00 0.00 58.31 56.12 1u8e n LYS 41 Cb 0.00 -1.38 -0.01 0.00 -0.00 0.00 0.00 35.03 33.64 1u8e n LYS 41 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1u8e s THR 42 N -3.62 1.66 -0.52 0.58 -4.23 -1.26 -0.41 115.64 107.83 1u8e s THR 42 Ca 0.72 -1.52 -0.23 0.00 -1.18 0.00 0.00 61.69 59.48 1u8e s THR 42 Cb -0.03 -2.18 0.04 0.00 1.34 0.00 0.00 72.50 71.68 1u8e s THR 42 CO 0.51 0.00 0.85 -0.47 -0.54 0.00 0.00 174.62 174.97 1u8e s TYR 43 N -2.77 2.88 0.57 3.99 5.04 -1.26 -4.82 117.35 120.98 1u8e s TYR 43 Ca 0.33 -0.09 -0.03 0.00 -2.44 0.00 0.00 57.07 54.84 1u8e s TYR 43 Cb -0.02 -3.89 0.02 0.00 0.35 0.00 0.00 41.96 38.42 1u8e s TYR 43 CO 0.20 -1.22 0.84 0.95 -1.34 0.00 0.00 175.55 174.98 1u8e s THR 44 N 3.57 3.14 0.24 4.34 -4.23 -1.26 -3.94 115.64 117.50 1u8e s THR 44 Ca 0.27 -0.36 -0.07 0.00 -1.18 0.00 0.00 61.69 60.35 1u8e s THR 44 Cb -0.14 -3.23 0.23 0.00 1.34 0.00 0.00 72.50 70.70 1u8e s THR 44 CO 0.18 -0.20 1.90 0.25 -0.54 0.00 0.00 174.62 176.22 1u8e h LEU 45 N -0.07 1.03 -0.63 4.79 5.85 -1.95 -1.33 115.31 123.01 1u8e h LEU 45 Ca -0.44 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 1u8e h LEU 45 Cb 1.28 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1u8e h LEU 45 CO 0.57 0.73 0.28 0.74 -0.34 0.00 0.00 178.44 180.43 1u8e h THR 46 N 1.21 1.22 -0.47 1.05 2.02 -1.97 0.27 112.91 116.24 1u8e h THR 46 Ca 0.35 -0.65 0.07 0.00 0.77 0.00 0.00 66.41 66.95 1u8e h THR 46 Cb -0.09 0.49 -0.06 0.00 -1.74 0.00 0.00 68.15 66.76 1u8e h THR 46 CO -0.09 0.26 0.12 0.44 0.37 0.00 0.00 175.52 176.62 1u8e h ASP 47 N 0.86 0.06 0.11 4.18 3.32 -1.66 0.65 116.42 123.95 1u8e h ASP 47 Ca 0.21 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 1u8e h ASP 47 Cb 0.15 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1u8e h ASP 47 CO -0.02 0.07 -0.05 0.22 -1.72 0.00 0.00 179.24 177.73 1u8e h TYR 48 N 0.27 -0.14 -0.15 4.55 3.20 -0.73 0.58 116.97 124.55 1u8e h TYR 48 Ca 0.23 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 1u8e h TYR 48 Cb 0.28 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1u8e h TYR 48 CO -0.20 0.24 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.38 1u8e h LEU 49 N -0.54 0.22 -0.59 2.82 3.38 -0.21 -2.46 115.31 117.92 1u8e h LEU 49 Ca -0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1u8e h LEU 49 Cb 0.44 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1u8e h LEU 49 CO 0.03 0.36 -0.34 0.29 0.09 0.00 0.00 178.44 178.86 1u8e n LYS 50 N -4.29 0.88 -3.43 1.13 4.76 0.22 -4.97 118.16 112.46 1u8e n LYS 50 Ca -0.01 -0.59 -0.18 0.00 -2.87 0.00 0.00 58.31 54.66 1u8e n LYS 50 Cb 0.25 -1.49 0.07 0.00 -1.84 0.00 0.00 35.03 32.03 1u8e n LYS 50 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1u8e n ASN 51 N -0.54 -3.68 -0.02 4.39 4.05 0.02 -4.92 115.26 114.56 1u8e n ASN 51 Ca 0.11 -0.71 -0.12 0.00 0.45 0.00 0.00 54.58 54.30 1u8e n ASN 51 Cb 0.38 -4.85 -0.08 0.00 1.23 0.00 0.00 39.78 36.45 1u8e n ASN 51 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 1u8e h THR 52 N -1.62 1.27 -3.68 -0.44 2.02 -1.34 -3.37 112.91 105.77 1u8e h THR 52 Ca -0.61 -0.84 -0.77 0.00 0.77 0.00 0.00 66.41 64.96 1u8e h THR 52 Cb 1.33 1.73 -0.27 0.00 -1.74 0.00 0.00 68.15 69.20 1u8e h THR 52 CO 0.49 0.23 -0.02 -0.31 0.37 0.00 0.00 175.52 176.28 1u8e s TYR 53 N -4.85 3.64 -0.15 3.16 2.02 -1.26 -5.05 117.35 114.86 1u8e s TYR 53 Ca -0.15 -1.99 -0.20 0.00 -0.37 0.00 0.00 57.07 54.37 1u8e s TYR 53 Cb 0.04 -3.73 -0.03 0.00 -0.40 0.00 0.00 41.96 37.84 1u8e s TYR 53 CO 0.69 -0.98 0.55 0.50 -1.57 0.00 0.00 175.55 174.75 1u8e s ARG 54 N 0.36 4.29 0.01 -0.62 3.52 -1.26 -5.04 118.95 120.21 1u8e s ARG 54 Ca 0.15 0.54 -0.30 0.00 -0.13 0.00 0.00 55.73 55.99 1u8e s ARG 54 Cb -0.15 -3.50 -0.05 0.00 -1.56 0.00 0.00 34.95 29.69 1u8e s ARG 54 CO -0.06 -0.03 1.32 -0.51 -0.81 0.00 0.00 175.30 175.21 1u8e s LEU 55 N 1.20 4.32 0.35 -0.88 1.43 -1.26 -4.88 118.68 118.97 1u8e s LEU 55 Ca 0.28 2.04 -0.17 0.00 -1.03 0.00 0.00 54.13 55.25 1u8e s LEU 55 Cb -0.16 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 42.40 1u8e s LEU 55 CO 0.11 -0.64 0.81 -0.54 0.23 0.00 0.00 176.35 176.33 1u8e s LYS 56 N 1.99 4.10 0.43 1.70 1.02 -1.26 -5.08 119.74 122.63 1u8e s LYS 56 Ca 0.61 0.84 0.03 0.00 0.02 0.00 0.00 55.97 57.47 1u8e s LYS 56 Cb -0.30 -2.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.62 1u8e s LYS 56 CO 0.26 0.11 0.11 -0.51 -0.92 0.00 0.00 175.35 174.40 1u8e s LEU 57 N -2.99 2.04 -0.43 3.17 1.02 -1.26 -4.90 118.68 115.33 1u8e s LEU 57 Ca 0.56 -1.68 0.04 0.00 0.02 0.00 0.00 54.13 53.08 1u8e s LEU 57 Cb -0.10 -0.19 0.17 0.00 0.02 0.00 0.00 46.19 46.09 1u8e s LEU 57 CO 0.16 -0.93 0.41 -0.47 0.02 0.00 0.00 176.35 175.54 1u8e s TYR 58 N -3.15 0.57 -0.64 0.29 6.14 -1.26 -4.98 117.35 114.31 1u8e s TYR 58 Ca 0.21 -1.97 -0.25 0.00 0.64 0.00 0.00 57.07 55.70 1u8e s TYR 58 Cb 0.02 -0.68 0.05 0.00 0.42 0.00 0.00 41.96 41.77 1u8e s TYR 58 CO 0.13 -0.91 1.06 -1.12 0.64 0.00 0.00 175.55 175.35 1u8e s SER 59 N 0.25 6.24 0.22 4.32 0.01 -1.26 -5.01 113.70 118.47 1u8e s SER 59 Ca 0.32 -0.59 0.08 0.00 1.31 0.00 0.00 55.95 57.07 1u8e s SER 59 Cb 0.02 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 1u8e s SER 59 CO -0.17 -1.49 0.01 -1.48 0.41 0.00 0.00 173.24 170.53 1u8e s LEU 60 N 4.54 3.30 -0.18 2.44 0.05 -1.26 -4.20 118.68 123.37 1u8e s LEU 60 Ca 0.29 -0.49 -0.01 0.00 0.05 0.00 0.00 54.13 53.97 1u8e s LEU 60 Cb -0.13 -1.89 0.05 0.00 -2.05 0.00 0.00 46.19 42.17 1u8e s LEU 60 CO 0.15 0.04 -0.03 -0.60 -0.55 0.00 0.00 176.35 175.37 1u8e s ARG 61 N -3.33 1.21 0.13 1.48 3.00 -0.39 -4.94 118.95 116.10 1u8e s ARG 61 Ca 0.29 -0.53 -0.31 0.00 -1.00 0.00 0.00 55.73 54.18 1u8e s ARG 61 Cb -0.08 -2.07 -0.09 0.00 0.00 0.00 0.00 34.95 32.71 1u8e s ARG 61 CO 0.20 -0.51 1.54 -1.58 0.00 0.00 0.00 175.30 174.94 1u8e s TRP 62 N 1.67 2.97 -0.49 5.12 0.52 -1.26 -0.01 118.94 127.46 1u8e s TRP 62 Ca -0.01 0.65 0.13 0.00 0.02 0.00 0.00 56.10 56.90 1u8e s TRP 62 Cb -0.16 -3.87 -0.16 0.00 -1.15 0.00 0.00 33.47 28.13 1u8e s TRP 62 CO -0.07 -3.22 0.51 0.44 0.02 0.00 0.00 176.95 174.62 1u8e n ILE 63 N 4.14 0.00 -2.93 2.03 -5.35 -0.75 -4.91 119.36 111.59 1u8e n ILE 63 Ca 0.14 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1u8e n ILE 63 Cb 0.40 0.82 0.00 0.00 -1.74 0.00 0.00 39.64 39.12 1u8e n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1u8e n SER 64 N -1.46 0.00 -0.07 7.28 3.41 -1.17 -4.97 113.62 116.64 1u8e n SER 64 Ca 0.01 -0.86 0.14 0.00 -0.26 0.00 0.00 58.87 57.91 1u8e n SER 64 Cb 0.24 0.00 0.63 0.00 -0.26 0.00 0.00 64.21 64.82 1u8e n SER 64 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1u8e n ASP 65 N -0.99 0.33 0.00 4.04 2.03 -1.26 -2.69 116.55 118.01 1u8e n ASP 65 Ca 0.00 -0.39 0.00 0.00 0.52 0.00 0.00 54.79 54.92 1u8e n ASP 65 Cb 0.00 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 1u8e n ASP 65 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1u8e n HIS 66 N -1.09 0.00 -4.40 -0.67 -0.00 -1.26 -4.42 115.22 103.37 1u8e n HIS 66 Ca 0.14 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.66 1u8e n HIS 66 Cb 0.27 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.16 1u8e n HIS 66 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1u8e s GLU 67 N -1.07 1.50 0.04 -0.41 2.02 -1.26 -0.99 118.70 118.53 1u8e s GLU 67 Ca 0.00 -1.77 -0.16 0.00 0.02 0.00 0.00 54.97 53.06 1u8e s GLU 67 Cb 0.00 -0.95 0.03 0.00 0.10 0.00 0.00 34.13 33.31 1u8e s GLU 67 CO 0.00 -0.04 0.35 1.52 0.02 0.00 0.00 175.26 177.11 1u8e s TYR 68 N -3.18 -0.18 -0.11 1.61 -0.85 -1.01 -1.80 117.35 111.83 1u8e s TYR 68 Ca 0.30 0.10 -0.09 0.00 -0.52 0.00 0.00 57.07 56.87 1u8e s TYR 68 Cb 0.05 0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.49 1u8e s TYR 68 CO 0.11 -0.52 0.19 -0.51 -1.52 0.00 0.00 175.55 173.30 1u8e s LEU 69 N -1.98 4.37 -0.30 -3.49 1.43 0.98 -0.10 118.68 119.61 1u8e s LEU 69 Ca -0.06 0.51 0.02 0.00 -1.03 0.00 0.00 54.13 53.58 1u8e s LEU 69 Cb -0.01 -2.16 0.08 0.00 0.03 0.00 0.00 46.19 44.13 1u8e s LEU 69 CO -0.02 0.35 0.00 -0.47 0.23 0.00 0.00 176.35 176.44 1u8e s TYR 70 N -0.79 3.05 0.56 0.29 5.04 0.40 -1.26 117.35 124.64 1u8e s TYR 70 Ca 0.15 -2.40 -0.18 0.00 -2.44 0.00 0.00 57.07 52.20 1u8e s TYR 70 Cb -0.13 -2.24 -0.05 0.00 0.35 0.00 0.00 41.96 39.89 1u8e s TYR 70 CO 0.05 -0.89 1.09 0.15 -1.34 0.00 0.00 175.55 174.61 1u8e s LYS 71 N 1.16 3.35 0.00 4.97 1.02 -1.26 -2.01 119.74 126.97 1u8e s LYS 71 Ca 0.03 1.42 0.00 0.00 0.02 0.00 0.00 55.97 57.44 1u8e s LYS 71 Cb -0.19 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 1u8e s LYS 71 CO -0.10 -0.81 0.00 1.04 -0.92 0.00 0.00 175.35 174.56 1u8e n GLN 72 N -1.58 0.64 -0.01 1.68 6.02 0.22 -4.96 117.38 119.39 1u8e n GLN 72 Ca 0.10 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.88 1u8e n GLN 72 Cb 0.52 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.64 1u8e n GLN 72 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1u8e n GLU 73 N 0.00 0.75 -0.02 -1.09 4.07 -1.26 -4.48 120.64 118.61 1u8e n GLU 73 Ca 0.00 0.25 0.05 0.00 -0.06 0.00 0.00 57.16 57.40 1u8e n GLU 73 Cb 0.00 -1.68 0.06 0.00 -0.06 0.00 0.00 31.44 29.75 1u8e n GLU 73 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1u8e n ASN 74 N -3.45 2.02 -1.62 4.31 4.13 -1.26 -5.06 115.26 114.33 1u8e n ASN 74 Ca -0.34 -1.52 0.00 0.00 1.68 0.00 0.00 54.58 54.41 1u8e n ASN 74 Cb 1.04 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 39.26 1u8e n ASN 74 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1u8e n ASN 75 N 0.61 -0.30 -3.94 6.41 6.94 -1.26 -3.23 115.26 120.49 1u8e n ASN 75 Ca 0.07 -1.09 -0.22 0.00 -0.02 0.00 0.00 54.58 53.32 1u8e n ASN 75 Cb 0.29 0.47 -0.16 0.00 -2.36 0.00 0.00 39.78 38.02 1u8e n ASN 75 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1u8e s ILE 76 N -2.19 0.76 0.18 1.53 1.01 -0.50 -0.61 121.20 121.37 1u8e s ILE 76 Ca 0.07 -0.25 0.09 0.00 0.00 0.00 0.00 60.65 60.56 1u8e s ILE 76 Cb -0.00 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 1u8e s ILE 76 CO 0.00 0.28 -0.12 -0.76 0.00 0.00 0.00 174.94 174.34 1u8e s LEU 77 N 0.88 2.88 -0.15 2.97 1.43 -0.85 0.05 118.68 125.88 1u8e s LEU 77 Ca -0.11 -0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 52.33 1u8e s LEU 77 Cb -0.15 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 1u8e s LEU 77 CO 0.01 0.11 -0.05 0.54 0.23 0.00 0.00 176.35 177.18 1u8e s VAL 78 N -1.69 3.74 0.10 -1.59 0.11 -0.29 -0.46 120.40 120.32 1u8e s VAL 78 Ca 0.24 -0.41 0.06 0.00 -2.93 0.00 0.00 61.98 58.94 1u8e s VAL 78 Cb -0.09 -2.63 -0.04 0.00 -1.53 0.00 0.00 36.38 32.09 1u8e s VAL 78 CO 0.14 0.50 -0.04 -0.36 -3.33 0.00 0.00 175.10 172.01 1u8e s PHE 79 N 0.39 2.89 -0.37 1.54 0.08 0.86 -1.42 117.98 121.95 1u8e s PHE 79 Ca -0.05 -0.08 -0.14 0.00 0.12 0.00 0.00 56.93 56.78 1u8e s PHE 79 Cb -0.14 -1.49 0.00 0.00 -0.57 0.00 0.00 43.02 40.82 1u8e s PHE 79 CO 0.03 0.46 0.26 1.21 -0.10 0.00 0.00 175.22 177.09 1u8e s ASN 80 N -2.33 6.04 0.27 1.36 3.84 -0.03 -2.39 114.94 121.71 1u8e s ASN 80 Ca 0.24 -0.67 -0.03 0.00 0.21 0.00 0.00 52.86 52.61 1u8e s ASN 80 Cb -0.11 -2.14 0.38 0.00 -0.55 0.00 0.00 41.25 38.83 1u8e s ASN 80 CO 0.17 -0.34 1.92 0.00 -2.79 0.00 0.00 177.10 176.06 1u8e h ALA 81 N 8.54 1.38 0.05 1.71 0.00 -1.38 0.16 119.26 129.71 1u8e h ALA 81 Ca -0.29 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1u8e h ALA 81 Cb 1.14 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1u8e h ALA 81 CO 0.68 0.53 -0.06 1.49 0.00 0.00 0.00 179.25 181.89 1u8e h GLU 82 N 1.21 -0.12 0.00 0.00 4.57 -1.94 -3.37 114.58 114.93 1u8e h GLU 82 Ca 0.38 0.01 -0.28 0.00 -1.18 0.00 0.00 59.36 58.28 1u8e h GLU 82 Cb -0.01 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.56 1u8e h GLU 82 CO -0.11 -0.08 -2.07 0.66 -1.18 0.00 0.00 179.01 176.23 1u8e n TYR 83 N -5.17 0.00 0.00 0.92 4.01 -1.20 -5.02 117.16 110.70 1u8e n TYR 83 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1u8e n TYR 83 Cb 0.10 -0.75 0.00 0.00 -0.31 0.00 0.00 39.34 38.38 1u8e n TYR 83 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u8e n GLY 84 N 2.27 0.60 3.82 2.72 0.00 0.55 -5.06 105.19 110.10 1u8e n GLY 84 Ca -0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 1u8e n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u8e s ASN 85 N -2.30 6.04 0.26 1.61 4.22 -1.26 -4.72 114.94 118.80 1u8e s ASN 85 Ca 0.00 1.69 -0.02 0.00 -2.14 0.00 0.00 52.86 52.39 1u8e s ASN 85 Cb 0.00 -2.52 -0.02 0.00 1.28 0.00 0.00 41.25 39.99 1u8e s ASN 85 CO 0.00 -0.99 0.29 -0.94 -2.04 0.00 0.00 177.10 173.42 1u8e s SER 86 N -3.08 0.54 0.12 3.54 1.04 -1.26 -0.85 113.70 113.76 1u8e s SER 86 Ca 0.61 -1.39 -0.01 0.00 0.48 0.00 0.00 55.95 55.64 1u8e s SER 86 Cb -0.13 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 1u8e s SER 86 CO 0.38 -1.03 0.06 -0.44 0.98 0.00 0.00 173.24 173.19 1u8e s SER 87 N -3.19 0.31 -0.16 7.02 0.01 -0.51 -4.97 113.70 112.21 1u8e s SER 87 Ca 0.35 -1.16 -0.22 0.00 1.31 0.00 0.00 55.95 56.22 1u8e s SER 87 Cb 0.03 0.29 -0.03 0.00 0.21 0.00 0.00 66.02 66.53 1u8e s SER 87 CO 0.16 -0.72 0.67 -0.69 0.41 0.00 0.00 173.24 173.07 1u8e s VAL 88 N -4.03 5.01 -0.00 3.43 1.01 -1.26 -1.14 120.40 123.42 1u8e s VAL 88 Ca 0.22 1.30 0.03 0.00 0.00 0.00 0.00 61.98 63.52 1u8e s VAL 88 Cb 0.07 -3.99 -0.25 0.00 0.00 0.00 0.00 36.38 32.21 1u8e s VAL 88 CO 0.00 0.14 0.82 0.15 0.00 0.00 0.00 175.10 176.21 1u8e h PHE 89 N 7.25 0.26 -1.05 5.22 3.04 -0.70 -3.47 116.94 127.49 1u8e h PHE 89 Ca -0.34 -0.19 0.22 0.00 3.98 0.00 0.00 57.97 61.65 1u8e h PHE 89 Cb 1.15 -0.01 -0.30 0.00 2.56 0.00 0.00 35.95 39.35 1u8e h PHE 89 CO 0.69 1.26 0.93 -0.48 -2.02 0.00 0.00 178.31 178.69 1u8e s LEU 90 N -6.69 -0.04 -0.18 0.59 -0.00 -1.12 -5.01 118.68 106.23 1u8e s LEU 90 Ca -0.08 0.05 0.13 0.00 -0.00 0.00 0.00 54.13 54.24 1u8e s LEU 90 Cb 0.08 1.08 0.69 0.00 -0.00 0.00 0.00 46.19 48.04 1u8e s LEU 90 CO 0.83 -0.02 1.56 -0.62 -0.00 0.00 0.00 176.35 178.10 1u8e n GLU 91 N 0.99 4.16 0.00 1.48 4.71 -1.26 -1.41 120.64 129.31 1u8e n GLU 91 Ca -0.05 -2.67 0.00 0.00 -0.01 0.00 0.00 57.16 54.44 1u8e n GLU 91 Cb 0.58 -2.09 0.00 0.00 -1.01 0.00 0.00 31.44 28.92 1u8e n GLU 91 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1u8e n ASN 92 N 0.63 0.00 0.00 1.62 4.13 -1.20 -4.30 115.26 116.14 1u8e n ASN 92 Ca 0.24 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.51 1u8e n ASN 92 Cb 1.01 0.00 0.10 0.00 -1.54 0.00 0.00 39.78 39.35 1u8e n ASN 92 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1u8e n SER 93 N 0.10 0.00 0.21 6.41 3.41 -1.26 0.46 113.62 122.96 1u8e n SER 93 Ca 0.00 -0.15 0.14 0.00 -0.26 0.00 0.00 58.87 58.60 1u8e n SER 93 Cb 0.00 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.32 1u8e n SER 93 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1u8e h THR 94 N 0.00 0.00 0.00 6.66 2.02 -1.95 -3.18 112.91 116.46 1u8e h THR 94 Ca 0.00 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 1u8e h THR 94 Cb 0.00 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1u8e h THR 94 CO 0.00 0.00 -0.15 0.49 0.37 0.00 0.00 175.52 176.23 1u8e n PHE 95 N -2.92 0.00 -0.06 3.16 3.72 0.17 -4.73 117.46 116.80 1u8e n PHE 95 Ca 0.03 -0.95 0.25 0.00 -0.05 0.00 0.00 57.45 56.73 1u8e n PHE 95 Cb 0.43 -0.15 0.71 0.00 -0.94 0.00 0.00 39.48 39.52 1u8e n PHE 95 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1u8e h ASP 96 N 0.17 0.00 -2.20 4.37 3.32 -1.60 -0.70 116.42 119.78 1u8e h ASP 96 Ca -0.01 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1u8e h ASP 96 Cb 1.07 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 40.20 1u8e h ASP 96 CO 0.00 0.00 -0.72 -1.84 -1.72 0.00 0.00 179.24 174.96 1u8e n GLU 97 N -3.85 2.55 0.00 3.56 0.28 -1.26 -4.70 120.64 117.22 1u8e n GLU 97 Ca 0.14 -4.51 0.11 0.00 -0.16 0.00 0.00 57.16 52.74 1u8e n GLU 97 Cb 0.89 -2.11 -0.14 0.00 1.43 0.00 0.00 31.44 31.51 1u8e n GLU 97 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1u8e n PHE 98 N 0.32 0.12 -0.27 -1.84 7.35 -0.27 -4.97 117.46 117.90 1u8e n PHE 98 Ca 0.29 0.03 0.00 0.00 -0.76 0.00 0.00 57.45 57.02 1u8e n PHE 98 Cb 0.44 -0.51 0.00 0.00 0.35 0.00 0.00 39.48 39.76 1u8e n PHE 98 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1u8e n GLY 99 N 1.27 1.63 3.08 7.13 0.00 -1.26 -5.00 105.19 112.04 1u8e n GLY 99 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 1u8e n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u8e s HIS 100 N -2.97 0.58 -0.35 1.61 3.76 -1.26 -5.12 115.29 111.55 1u8e s HIS 100 Ca 0.00 -0.75 -0.19 0.00 -0.15 0.00 0.00 55.06 53.96 1u8e s HIS 100 Cb 0.00 -0.37 -0.00 0.00 1.11 0.00 0.00 32.58 33.31 1u8e s HIS 100 CO 0.00 -0.20 0.58 0.45 -0.85 0.00 0.00 174.74 174.72 1u8e s SER 101 N -2.25 6.39 0.15 1.40 0.15 -1.26 -5.03 113.70 113.25 1u8e s SER 101 Ca -0.02 0.11 -0.30 0.00 0.70 0.00 0.00 55.95 56.44 1u8e s SER 101 Cb -0.02 -2.30 -0.07 0.00 -1.71 0.00 0.00 66.02 61.92 1u8e s SER 101 CO -0.04 -0.53 0.96 -0.63 1.20 0.00 0.00 173.24 174.20 1u8e s ILE 102 N 2.56 4.36 -0.65 6.45 1.01 -1.26 -4.46 121.20 129.21 1u8e s ILE 102 Ca 0.22 2.07 0.06 0.00 0.00 0.00 0.00 60.65 63.00 1u8e s ILE 102 Cb -0.15 -4.32 0.09 0.00 0.01 0.00 0.00 42.46 38.10 1u8e s ILE 102 CO 0.14 0.37 0.87 -0.46 0.00 0.00 0.00 174.94 175.86 1u8e n ASN 103 N 2.40 1.90 -3.63 3.58 6.94 -0.72 -5.02 115.26 120.71 1u8e n ASN 103 Ca 0.01 -1.55 -0.06 0.00 -0.02 0.00 0.00 54.58 52.96 1u8e n ASN 103 Cb 0.48 -0.05 -0.05 0.00 -2.36 0.00 0.00 39.78 37.80 1u8e n ASN 103 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1u8e s ASP 104 N -0.70 -0.20 0.11 0.53 2.15 -1.19 -5.03 116.67 112.34 1u8e s ASP 104 Ca 0.09 0.28 0.09 0.00 0.43 0.00 0.00 52.55 53.45 1u8e s ASP 104 Cb 0.06 0.25 -0.04 0.00 -0.30 0.00 0.00 42.92 42.89 1u8e s ASP 104 CO 0.08 -0.13 -0.23 -0.31 -0.17 0.00 0.00 175.17 174.40 1u8e s TYR 105 N -0.61 1.98 -0.22 -5.34 1.51 -1.26 -1.24 117.35 112.17 1u8e s TYR 105 Ca 0.05 -0.40 -0.04 0.00 -1.01 0.00 0.00 57.07 55.66 1u8e s TYR 105 Cb -0.02 -1.08 0.08 0.00 -0.11 0.00 0.00 41.96 40.82 1u8e s TYR 105 CO -0.07 0.25 0.13 0.45 -1.11 0.00 0.00 175.55 175.20 1u8e s SER 106 N -1.92 2.52 -0.08 2.29 0.15 0.21 -4.94 113.70 111.92 1u8e s SER 106 Ca 0.09 -0.76 -0.26 0.00 0.70 0.00 0.00 55.95 55.72 1u8e s SER 106 Cb -0.10 -0.14 -0.03 0.00 -1.71 0.00 0.00 66.02 64.04 1u8e s SER 106 CO 0.05 -0.38 0.82 -0.63 1.20 0.00 0.00 173.24 174.30 1u8e s ILE 107 N 2.17 4.95 0.40 6.45 1.01 -1.26 0.28 121.20 135.20 1u8e s ILE 107 Ca 0.05 1.68 -0.26 0.00 0.00 0.00 0.00 60.65 62.12 1u8e s ILE 107 Cb -0.16 -4.15 -0.10 0.00 0.01 0.00 0.00 42.46 38.06 1u8e s ILE 107 CO -0.19 0.16 1.29 -1.54 0.00 0.00 0.00 174.94 174.65 1u8e n SER 108 N 4.25 2.66 0.31 3.58 3.41 0.01 -4.74 113.62 123.09 1u8e n SER 108 Ca 0.03 1.13 0.13 0.00 -0.26 0.00 0.00 58.87 59.90 1u8e n SER 108 Cb 0.50 -1.50 0.72 0.00 -0.26 0.00 0.00 64.21 63.67 1u8e n SER 108 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1u8e h PRO 109 N 2.22 0.00 -0.39 4.33 0.13 -1.81 0.41 132.00 136.90 1u8e h PRO 109 Ca -0.48 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 1u8e h PRO 109 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1u8e h PRO 109 CO 0.61 0.00 -0.19 0.22 -0.23 0.00 0.00 178.00 178.40 1u8e h ASP 110 N 0.00 0.75 0.00 1.44 3.58 -1.60 -3.47 116.42 117.12 1u8e h ASP 110 Ca 0.00 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.20 1u8e h ASP 110 Cb 0.67 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.52 1u8e h ASP 110 CO 0.00 0.93 0.00 0.61 -2.88 0.00 0.00 179.24 177.90 1u8e n GLY 111 N -0.31 1.07 0.07 -0.78 0.00 0.15 -4.90 105.19 100.48 1u8e n GLY 111 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1u8e n GLY 111 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1u8e h GLN 112 N 3.57 0.00 -4.08 1.61 4.20 -1.91 -3.46 115.11 115.04 1u8e h GLN 112 Ca 0.00 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 1u8e h GLN 112 Cb 0.00 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 27.57 1u8e h GLN 112 CO 0.00 0.00 -0.71 -0.06 -0.67 0.00 0.00 178.83 177.39 1u8e s PHE 113 N -3.21 0.33 -0.16 2.96 0.08 -1.26 -0.76 117.98 115.96 1u8e s PHE 113 Ca 0.05 -0.51 0.00 0.00 0.12 0.00 0.00 56.93 56.59 1u8e s PHE 113 Cb 0.13 -0.22 0.03 0.00 -0.57 0.00 0.00 43.02 42.38 1u8e s PHE 113 CO 0.74 -0.17 -0.13 0.42 -0.10 0.00 0.00 175.22 175.98 1u8e s ILE 114 N -1.40 1.59 -0.14 0.64 1.01 -0.20 -0.81 121.20 121.89 1u8e s ILE 114 Ca -0.14 -0.72 -0.27 0.00 0.00 0.00 0.00 60.65 59.52 1u8e s ILE 114 Cb -0.10 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.83 1u8e s ILE 114 CO -0.01 0.40 0.90 -0.22 0.00 0.00 0.00 174.94 176.01 1u8e s LEU 115 N 1.47 4.21 -0.31 2.97 2.96 0.14 -0.82 118.68 129.30 1u8e s LEU 115 Ca 0.04 1.32 -0.07 0.00 -0.22 0.00 0.00 54.13 55.20 1u8e s LEU 115 Cb -0.14 -3.36 0.02 0.00 0.50 0.00 0.00 46.19 43.21 1u8e s LEU 115 CO -0.10 -0.40 0.09 -0.76 -1.32 0.00 0.00 176.35 173.85 1u8e s LEU 116 N 2.02 3.96 -0.27 -0.68 1.43 0.16 -0.62 118.68 124.68 1u8e s LEU 116 Ca 0.42 -0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 52.60 1u8e s LEU 116 Cb -0.17 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 1u8e s LEU 116 CO 0.15 -0.22 0.20 -0.70 0.23 0.00 0.00 176.35 176.00 1u8e s GLU 117 N 1.48 4.00 0.31 1.70 2.12 -0.38 -1.70 118.70 126.23 1u8e s GLU 117 Ca 0.02 -0.26 0.05 0.00 0.36 0.00 0.00 54.97 55.13 1u8e s GLU 117 Cb -0.18 -3.62 -0.03 0.00 0.26 0.00 0.00 34.13 30.56 1u8e s GLU 117 CO 0.03 -0.11 0.28 1.52 -0.54 0.00 0.00 175.26 176.43 1u8e s TYR 118 N 1.57 1.58 -1.38 5.30 1.13 -0.81 -1.76 117.35 122.98 1u8e s TYR 118 Ca 0.08 -1.57 -0.08 0.00 -1.41 0.00 0.00 57.07 54.09 1u8e s TYR 118 Cb -0.15 -0.61 0.01 0.00 -1.10 0.00 0.00 41.96 40.11 1u8e s TYR 118 CO 0.09 -0.87 1.01 0.09 -2.51 0.00 0.00 175.55 173.36 1u8e n ASN 119 N -1.33 -6.24 -4.74 -0.18 3.02 -1.26 0.09 115.26 104.61 1u8e n ASN 119 Ca 0.06 -0.46 -0.41 0.00 -0.03 0.00 0.00 54.58 53.74 1u8e n ASN 119 Cb 0.63 -4.92 0.01 0.00 -0.61 0.00 0.00 39.78 34.88 1u8e n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u8e n TYR 120 N -4.83 2.52 -3.39 3.10 9.36 -1.26 -4.17 117.16 118.49 1u8e n TYR 120 Ca -0.02 0.48 -0.16 0.00 3.32 0.00 0.00 57.90 61.51 1u8e n TYR 120 Cb 0.58 -2.44 -0.09 0.00 -0.63 0.00 0.00 39.34 36.75 1u8e n TYR 120 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1u8e s VAL 121 N -1.16 -0.43 0.47 2.97 1.01 -0.66 -4.99 120.40 117.60 1u8e s VAL 121 Ca 0.59 -0.47 -0.25 0.00 0.00 0.00 0.00 61.98 61.85 1u8e s VAL 121 Cb -0.49 -0.98 -0.08 0.00 0.00 0.00 0.00 36.38 34.83 1u8e s VAL 121 CO 0.60 -0.45 1.43 1.17 0.00 0.00 0.00 175.10 177.85 1u8e n LYS 122 N 5.30 2.19 0.00 2.72 4.81 -1.26 -1.65 118.16 130.26 1u8e n LYS 122 Ca -0.01 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 1u8e n LYS 122 Cb 0.47 -2.64 0.00 0.00 0.02 0.00 0.00 35.03 32.88 1u8e n LYS 122 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1u8e n GLN 123 N -0.32 0.00 0.00 1.64 7.27 -0.56 -4.88 117.38 120.53 1u8e n GLN 123 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.13 1u8e n GLN 123 Cb 0.42 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.07 1u8e n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 1u8e n TRP 124 N 0.00 0.00 0.16 3.69 5.03 -1.21 -4.95 117.44 120.16 1u8e n TRP 124 Ca 0.00 0.00 -0.15 0.00 3.03 0.00 0.00 57.50 60.38 1u8e n TRP 124 Cb 0.00 0.00 -0.07 0.00 -1.03 0.00 0.00 31.31 30.21 1u8e n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 1u8e h ARG 125 N 0.00 -0.66 0.00 -0.99 9.65 -1.99 -3.34 114.38 117.05 1u8e h ARG 125 Ca 0.00 0.05 -0.26 0.00 -1.10 0.00 0.00 59.98 58.67 1u8e h ARG 125 Cb 0.00 0.15 -0.05 0.00 -1.39 0.00 0.00 29.97 28.68 1u8e h ARG 125 CO 0.00 -0.44 -2.11 0.72 2.80 0.00 0.00 179.97 180.94 1u8e n HIS 126 N -5.47 0.00 -1.66 2.20 8.25 -1.26 -5.03 115.22 112.26 1u8e n HIS 126 Ca -0.08 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.07 1u8e n HIS 126 Cb 0.38 -0.76 0.04 0.00 1.12 0.00 0.00 29.99 30.76 1u8e n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1u8e s SER 127 N -4.92 5.61 0.00 0.41 1.04 -1.26 -4.72 113.70 109.87 1u8e s SER 127 Ca -0.08 1.55 0.00 0.00 0.48 0.00 0.00 55.95 57.90 1u8e s SER 127 Cb 0.06 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.71 1u8e s SER 127 CO 0.71 -1.29 0.00 0.00 0.98 0.00 0.00 173.24 173.64 1u8e n TYR 128 N -3.03 0.00 -4.46 5.02 0.18 -1.26 -1.50 117.16 112.11 1u8e n TYR 128 Ca 0.07 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.60 1u8e n TYR 128 Cb 0.54 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.40 1u8e n TYR 128 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 1u8e s THR 129 N -2.00 2.43 -0.08 -3.48 -4.23 -0.66 -4.62 115.64 102.99 1u8e s THR 129 Ca 0.00 -2.15 -0.32 0.00 -1.18 0.00 0.00 61.69 58.04 1u8e s THR 129 Cb 0.00 -2.66 0.12 0.00 1.34 0.00 0.00 72.50 71.30 1u8e s THR 129 CO 0.00 -0.23 1.16 0.00 -0.54 0.00 0.00 174.62 175.02 1u8e s ALA 130 N -2.56 -2.05 0.33 3.99 0.00 -0.96 -1.65 121.76 118.86 1u8e s ALA 130 Ca 0.33 1.13 -0.02 0.00 0.00 0.00 0.00 51.96 53.40 1u8e s ALA 130 Cb 0.01 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1u8e s ALA 130 CO 0.17 -0.78 0.56 -1.12 0.00 0.00 0.00 175.76 174.60 1u8e s SER 131 N -2.52 6.34 -0.03 0.00 0.01 0.11 -2.33 113.70 115.28 1u8e s SER 131 Ca 0.10 0.57 -0.07 0.00 1.31 0.00 0.00 55.95 57.87 1u8e s SER 131 Cb 0.01 -2.08 0.01 0.00 0.21 0.00 0.00 66.02 64.16 1u8e s SER 131 CO -0.04 -0.28 0.16 -0.31 0.41 0.00 0.00 173.24 173.18 1u8e s TYR 132 N -2.26 -0.09 0.05 2.43 1.51 -1.26 -1.92 117.35 115.81 1u8e s TYR 132 Ca 0.42 0.19 0.02 0.00 -1.01 0.00 0.00 57.07 56.69 1u8e s TYR 132 Cb -0.10 0.02 -0.03 0.00 -0.11 0.00 0.00 41.96 41.74 1u8e s TYR 132 CO 0.35 -0.19 -0.07 -0.51 -1.11 0.00 0.00 175.55 174.01 1u8e s ASP 133 N -0.63 0.83 -0.13 2.29 1.01 -0.69 -4.38 116.67 114.96 1u8e s ASP 133 Ca -0.07 -0.61 0.03 0.00 0.71 0.00 0.00 52.55 52.61 1u8e s ASP 133 Cb -0.04 0.05 0.01 0.00 1.01 0.00 0.00 42.92 43.95 1u8e s ASP 133 CO 0.01 -0.25 -0.22 -0.63 0.21 0.00 0.00 175.17 174.29 1u8e s ILE 134 N -1.70 2.09 -0.28 0.77 1.01 -1.26 0.35 121.20 122.19 1u8e s ILE 134 Ca -0.08 -0.98 -0.11 0.00 0.00 0.00 0.00 60.65 59.48 1u8e s ILE 134 Cb -0.08 -1.83 -0.05 0.00 0.01 0.00 0.00 42.46 40.52 1u8e s ILE 134 CO -0.01 0.55 0.21 -0.47 0.00 0.00 0.00 174.94 175.22 1u8e s TYR 135 N 0.72 3.22 -0.51 3.97 5.04 -0.00 -0.95 117.35 128.85 1u8e s TYR 135 Ca -0.09 0.14 -0.27 0.00 -2.44 0.00 0.00 57.07 54.41 1u8e s TYR 135 Cb -0.16 -2.40 0.03 0.00 0.35 0.00 0.00 41.96 39.78 1u8e s TYR 135 CO 0.00 -0.17 1.05 0.34 -1.34 0.00 0.00 175.55 175.43 1u8e s ASP 136 N 1.75 6.49 0.44 4.32 -1.08 0.05 -1.03 116.67 127.62 1u8e s ASP 136 Ca 0.08 0.12 0.23 0.00 -0.52 0.00 0.00 52.55 52.46 1u8e s ASP 136 Cb -0.16 -2.50 0.99 0.00 -1.46 0.00 0.00 42.92 39.79 1u8e s ASP 136 CO 0.11 -1.24 1.86 -0.07 0.52 0.00 0.00 175.17 176.35 1u8e h LEU 137 N 11.14 0.00 -0.64 -1.34 3.38 -1.23 0.49 115.31 127.10 1u8e h LEU 137 Ca -0.24 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 1u8e h LEU 137 Cb 1.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1u8e h LEU 137 CO 1.10 0.24 0.10 0.78 0.09 0.00 0.00 178.44 180.75 1u8e h ASN 138 N 0.00 1.02 -0.02 -0.43 2.35 -1.91 -3.08 115.58 113.52 1u8e h ASN 138 Ca -0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1u8e h ASN 138 Cb 0.68 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1u8e h ASN 138 CO 0.03 1.02 -0.22 2.29 -1.65 0.00 0.00 177.43 178.91 1u8e n LYS 139 N -4.25 1.57 -3.70 0.81 2.85 -1.16 -5.00 118.16 109.28 1u8e n LYS 139 Ca 0.04 -1.07 -0.29 0.00 -1.05 0.00 0.00 58.31 55.94 1u8e n LYS 139 Cb 0.29 -1.30 0.03 0.00 -0.65 0.00 0.00 35.03 33.41 1u8e n LYS 139 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1u8e n ARG 140 N 0.27 -1.96 -3.73 -1.58 1.74 0.16 -4.99 116.66 106.57 1u8e n ARG 140 Ca 0.08 0.49 -0.14 0.00 -0.77 0.00 0.00 57.85 57.51 1u8e n ARG 140 Cb 0.37 -4.37 -0.08 0.00 -1.02 0.00 0.00 32.46 27.35 1u8e n ARG 140 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1u8e s GLN 141 N -5.99 0.69 0.20 5.56 2.00 -0.80 -4.99 119.66 116.34 1u8e s GLN 141 Ca 0.36 -0.07 -0.30 0.00 -2.00 0.00 0.00 55.36 53.35 1u8e s GLN 141 Cb -0.12 0.31 -0.08 0.00 0.80 0.00 0.00 33.01 33.92 1u8e s GLN 141 CO 0.85 -0.19 1.04 -0.51 -0.50 0.00 0.00 175.29 175.99 1u8e s LEU 142 N -1.17 4.54 -0.11 3.68 1.43 -1.26 -0.77 118.68 125.03 1u8e s LEU 142 Ca -0.12 2.05 -0.30 0.00 -1.03 0.00 0.00 54.13 54.73 1u8e s LEU 142 Cb -0.04 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.54 1u8e s LEU 142 CO 0.05 -0.10 1.27 -0.63 0.23 0.00 0.00 176.35 177.17 1u8e s ILE 143 N -0.59 4.19 -0.13 -0.59 1.01 -0.12 -4.90 121.20 120.07 1u8e s ILE 143 Ca 0.46 1.48 0.17 0.00 0.00 0.00 0.00 60.65 62.76 1u8e s ILE 143 Cb -0.28 -3.96 -0.23 0.00 0.01 0.00 0.00 42.46 38.00 1u8e s ILE 143 CO 0.35 -0.07 0.42 0.35 0.00 0.00 0.00 174.94 175.98 1u8e n THR 144 N 5.04 1.25 -3.91 2.92 -2.24 -1.26 -4.67 114.28 111.40 1u8e n THR 144 Ca 0.13 -0.77 -0.26 0.00 -2.27 0.00 0.00 64.05 60.88 1u8e n THR 144 Cb 0.45 -0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 1u8e n THR 144 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1u8e s GLU 145 N -2.72 3.45 -1.14 -0.78 1.03 -1.26 -4.51 118.70 112.77 1u8e s GLU 145 Ca -0.07 -0.56 -0.03 0.00 0.03 0.00 0.00 54.97 54.34 1u8e s GLU 145 Cb 0.08 -2.95 0.02 0.00 -0.80 0.00 0.00 34.13 30.48 1u8e s GLU 145 CO 0.83 0.51 0.18 0.39 -1.33 0.00 0.00 175.26 175.84 1u8e n GLU 146 N -0.54 -2.74 -0.93 -4.83 -0.58 -1.26 -4.69 120.64 105.06 1u8e n GLU 146 Ca -0.07 0.58 -0.31 0.00 -0.42 0.00 0.00 57.16 56.94 1u8e n GLU 146 Cb 0.54 -5.23 0.14 0.00 -0.57 0.00 0.00 31.44 26.32 1u8e n GLU 146 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1u8e s ARG 147 N -5.34 1.48 0.31 3.49 1.70 -1.26 -4.80 118.95 114.53 1u8e s ARG 147 Ca 0.13 1.47 -0.29 0.00 -0.47 0.00 0.00 55.73 56.57 1u8e s ARG 147 Cb -0.07 -1.79 -0.11 0.00 -0.57 0.00 0.00 34.95 32.42 1u8e s ARG 147 CO 0.16 -2.27 1.48 0.42 -1.08 0.00 0.00 175.30 174.01 1u8e s ILE 148 N -2.65 2.31 0.48 4.99 1.01 -1.26 -4.95 121.20 121.14 1u8e s ILE 148 Ca 0.66 0.28 -0.24 0.00 0.00 0.00 0.00 60.65 61.35 1u8e s ILE 148 Cb -0.22 -3.18 -0.07 0.00 0.01 0.00 0.00 42.46 39.00 1u8e s ILE 148 CO 0.56 0.06 1.40 -2.84 0.00 0.00 0.00 174.94 174.11 1u8e s PRO 149 N -1.13 3.49 0.52 2.79 0.02 -1.26 -4.62 135.00 134.81 1u8e s PRO 149 Ca 0.57 2.34 -0.20 0.00 0.02 0.00 0.00 61.00 63.73 1u8e s PRO 149 Cb -0.45 -2.51 -0.06 0.00 0.02 0.00 0.00 34.50 31.50 1u8e s PRO 149 CO 0.52 -0.95 1.13 -0.80 -0.33 0.00 0.00 177.00 176.58 1u8e s ASN 150 N -0.68 5.87 -0.06 2.53 0.01 -1.26 -3.26 114.94 118.09 1u8e s ASN 150 Ca 0.65 2.19 0.00 0.00 -0.71 0.00 0.00 52.86 54.99 1u8e s ASN 150 Cb -0.42 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.65 1u8e s ASN 150 CO 0.53 -1.12 0.00 0.59 -1.51 0.00 0.00 177.10 175.59 1u8e n ASN 151 N -1.08 -1.71 -4.74 -1.22 3.02 -1.18 -5.00 115.26 103.35 1u8e n ASN 151 Ca 0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.24 1u8e n ASN 151 Cb 0.50 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 39.01 1u8e n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1u8e s THR 152 N -2.03 3.09 -0.12 3.41 2.01 -0.98 -4.66 115.64 116.35 1u8e s THR 152 Ca 0.00 0.90 0.15 0.00 0.31 0.00 0.00 61.69 63.06 1u8e s THR 152 Cb 0.00 -3.58 -0.06 0.00 0.01 0.00 0.00 72.50 68.88 1u8e s THR 152 CO 0.00 0.14 1.12 1.56 -0.69 0.00 0.00 174.62 176.75 1u8e h GLN 153 N 5.28 0.00 -1.78 4.92 4.20 -1.21 -2.56 115.11 123.96 1u8e h GLN 153 Ca -0.45 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.27 1u8e h GLN 153 Cb 1.22 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 28.76 1u8e h GLN 153 CO 0.77 0.43 0.32 -0.46 -0.67 0.00 0.00 178.83 179.22 1u8e s TRP 154 N -2.92 -0.60 -0.01 2.96 -0.11 -1.14 -4.66 118.94 112.46 1u8e s TRP 154 Ca 0.00 1.37 -0.02 0.00 1.22 0.00 0.00 56.10 58.68 1u8e s TRP 154 Cb 0.08 0.34 -0.00 0.00 -1.50 0.00 0.00 33.47 32.40 1u8e s TRP 154 CO 0.78 -0.34 0.04 0.08 -4.62 0.00 0.00 176.95 172.89 1u8e s VAL 155 N -0.02 0.03 -0.20 5.86 1.01 -1.26 -0.41 120.40 125.41 1u8e s VAL 155 Ca -0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 61.98 61.62 1u8e s VAL 155 Cb -0.04 -0.14 0.06 0.00 0.00 0.00 0.00 36.38 36.27 1u8e s VAL 155 CO -0.01 -0.13 0.51 0.28 0.00 0.00 0.00 175.10 175.75 1u8e s THR 156 N -0.38 -0.01 0.63 3.92 -1.32 -0.63 -5.01 115.64 112.83 1u8e s THR 156 Ca -0.04 0.05 -0.13 0.00 -1.21 0.00 0.00 61.69 60.35 1u8e s THR 156 Cb -0.03 -0.74 -0.02 0.00 -1.51 0.00 0.00 72.50 70.20 1u8e s THR 156 CO -0.00 0.02 1.05 0.26 -2.21 0.00 0.00 174.62 173.74 1u8e s TRP 157 N 1.28 3.13 0.94 9.09 0.52 -1.26 -1.89 118.94 130.75 1u8e s TRP 157 Ca -0.08 1.46 -0.12 0.00 0.02 0.00 0.00 56.10 57.37 1u8e s TRP 157 Cb -0.07 -2.91 0.15 0.00 -1.15 0.00 0.00 33.47 29.50 1u8e s TRP 157 CO -0.13 -1.05 1.09 -1.54 0.02 0.00 0.00 176.95 175.35 1u8e s SER 158 N -3.32 3.11 0.17 2.95 1.04 0.29 -4.90 113.70 113.05 1u8e s SER 158 Ca 0.60 1.32 0.19 0.00 0.48 0.00 0.00 55.95 58.54 1u8e s SER 158 Cb -0.14 -1.99 0.83 0.00 0.10 0.00 0.00 66.02 64.82 1u8e s SER 158 CO 0.45 -2.84 1.58 -2.65 0.98 0.00 0.00 173.24 170.75 1u8e n PRO 159 N -4.00 0.12 0.00 4.02 -0.02 -1.26 -4.55 135.00 129.30 1u8e n PRO 159 Ca 0.06 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1u8e n PRO 159 Cb 0.56 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 1u8e n PRO 159 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1u8e n VAL 160 N -1.98 0.00 0.00 -1.45 0.24 -1.26 -4.87 118.33 109.01 1u8e n VAL 160 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1u8e n VAL 160 Cb 0.17 -0.71 0.00 0.00 -1.47 0.00 0.00 33.84 31.83 1u8e n VAL 160 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u8e n GLY 161 N 1.88 0.79 2.54 7.63 0.00 -1.26 -3.65 105.19 113.11 1u8e n GLY 161 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1u8e n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1u8e n HIS 162 N 0.00 0.54 -2.95 1.61 1.44 -1.26 -2.90 115.22 111.70 1u8e n HIS 162 Ca 0.00 -1.76 -0.33 0.00 -2.01 0.00 0.00 57.72 53.62 1u8e n HIS 162 Cb 0.00 0.06 -0.07 0.00 0.12 0.00 0.00 29.99 30.11 1u8e n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1u8e s LYS 163 N -2.50 4.14 -0.01 -1.40 1.02 -1.26 -4.40 119.74 115.32 1u8e s LYS 163 Ca 0.25 0.94 0.06 0.00 0.02 0.00 0.00 55.97 57.23 1u8e s LYS 163 Cb 0.34 -2.28 -0.01 0.00 -0.52 0.00 0.00 37.83 35.35 1u8e s LYS 163 CO -0.07 0.05 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.72 1u8e s LEU 164 N -3.10 2.04 -0.09 3.17 1.43 -0.32 -0.55 118.68 121.26 1u8e s LEU 164 Ca 0.59 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 1u8e s LEU 164 Cb -0.10 -0.92 0.02 0.00 0.03 0.00 0.00 46.19 45.23 1u8e s LEU 164 CO 0.15 0.22 -0.09 0.00 0.23 0.00 0.00 176.35 176.85 1u8e s ALA 165 N -0.43 1.27 0.04 4.21 0.00 -0.79 -0.99 121.76 125.07 1u8e s ALA 165 Ca 0.07 -0.47 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 1u8e s ALA 165 Cb -0.07 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 1u8e s ALA 165 CO -0.01 -0.18 -0.02 1.52 0.00 0.00 0.00 175.76 177.07 1u8e s TYR 166 N 1.25 0.42 -0.12 0.00 -0.85 0.40 -1.61 117.35 116.84 1u8e s TYR 166 Ca -0.04 -0.88 0.01 0.00 -0.52 0.00 0.00 57.07 55.64 1u8e s TYR 166 Cb -0.14 -0.31 -0.01 0.00 0.38 0.00 0.00 41.96 41.87 1u8e s TYR 166 CO -0.03 -0.33 -0.15 0.08 -1.52 0.00 0.00 175.55 173.60 1u8e s VAL 167 N -3.18 2.89 -0.01 -3.49 1.01 0.46 0.05 120.40 118.12 1u8e s VAL 167 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1u8e s VAL 167 Cb 0.03 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.23 1u8e s VAL 167 CO -0.07 0.53 0.00 0.86 0.00 0.00 0.00 175.10 176.42 1u8e s TRP 168 N 0.32 0.17 -1.59 5.22 -0.00 -0.43 -0.78 118.94 121.85 1u8e s TRP 168 Ca -0.12 0.02 -0.14 0.00 -0.00 0.00 0.00 56.10 55.87 1u8e s TRP 168 Cb -0.16 -0.23 0.11 0.00 -0.00 0.00 0.00 33.47 33.19 1u8e s TRP 168 CO 0.06 -0.06 0.79 0.09 -0.00 0.00 0.00 176.95 177.83 1u8e n ASN 169 N 3.67 -3.27 -0.13 5.86 5.03 -1.26 -0.93 115.26 124.22 1u8e n ASN 169 Ca -0.21 -0.93 -0.02 0.00 0.87 0.00 0.00 54.58 54.29 1u8e n ASN 169 Cb 0.54 -3.21 -0.01 0.00 -1.02 0.00 0.00 39.78 36.09 1u8e n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1u8e n ASN 170 N -2.78 -4.97 -4.40 6.41 5.03 -1.26 -4.34 115.26 108.95 1u8e n ASN 170 Ca -0.01 0.04 -0.29 0.00 0.87 0.00 0.00 54.58 55.20 1u8e n ASN 170 Cb 0.54 -2.62 -0.13 0.00 -1.02 0.00 0.00 39.78 36.55 1u8e n ASN 170 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1u8e s ASP 171 N -2.10 3.40 0.14 6.41 1.01 -0.11 -1.72 116.67 123.69 1u8e s ASP 171 Ca 0.00 -0.71 -0.19 0.00 0.71 0.00 0.00 52.55 52.36 1u8e s ASP 171 Cb 0.00 -0.28 -0.07 0.00 1.01 0.00 0.00 42.92 43.58 1u8e s ASP 171 CO 0.00 0.19 0.63 -0.63 0.21 0.00 0.00 175.17 175.56 1u8e s ILE 172 N -1.05 4.68 0.01 0.77 1.01 -1.26 -1.32 121.20 124.04 1u8e s ILE 172 Ca 0.14 1.20 0.01 0.00 0.00 0.00 0.00 60.65 62.01 1u8e s ILE 172 Cb -0.10 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 1u8e s ILE 172 CO 0.06 0.40 -0.04 -0.31 0.00 0.00 0.00 174.94 175.05 1u8e s TYR 173 N -1.29 0.39 -0.07 3.97 1.51 0.11 -1.24 117.35 120.72 1u8e s TYR 173 Ca 0.35 -0.23 0.02 0.00 -1.01 0.00 0.00 57.07 56.20 1u8e s TYR 173 Cb -0.18 -0.25 0.02 0.00 -0.11 0.00 0.00 41.96 41.43 1u8e s TYR 173 CO 0.20 -0.05 -0.11 0.08 -1.11 0.00 0.00 175.55 174.57 1u8e s VAL 174 N -0.57 1.07 -0.16 0.71 1.01 -0.72 -0.45 120.40 121.29 1u8e s VAL 174 Ca -0.04 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 1u8e s VAL 174 Cb -0.05 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 1u8e s VAL 174 CO -0.00 0.35 -0.06 -0.54 0.00 0.00 0.00 175.10 174.85 1u8e s LYS 175 N 0.83 3.55 0.07 2.72 1.02 -0.16 -0.47 119.74 127.30 1u8e s LYS 175 Ca -0.12 -0.58 0.08 0.00 0.02 0.00 0.00 55.97 55.38 1u8e s LYS 175 Cb -0.15 -2.87 -0.22 0.00 -0.52 0.00 0.00 37.83 34.07 1u8e s LYS 175 CO 0.02 0.15 1.09 0.82 -0.92 0.00 0.00 175.35 176.51 1u8e h ILE 176 N 5.32 1.45 -3.71 2.17 2.04 -1.85 -0.85 117.51 122.09 1u8e h ILE 176 Ca -0.31 -3.20 -0.51 0.00 1.00 0.00 0.00 64.86 61.84 1u8e h ILE 176 Cb 1.19 2.73 -0.32 0.00 -0.74 0.00 0.00 36.82 39.68 1u8e h ILE 176 CO 0.60 0.83 -0.82 -1.61 0.00 0.00 0.00 178.15 177.16 1u8e s GLU 177 N -2.67 1.52 0.41 2.37 0.41 -1.26 -4.37 118.70 115.11 1u8e s GLU 177 Ca -0.01 -0.46 0.26 0.00 -0.41 0.00 0.00 54.97 54.35 1u8e s GLU 177 Cb 0.09 -1.32 1.35 0.00 -1.78 0.00 0.00 34.13 32.47 1u8e s GLU 177 CO 0.82 0.13 1.63 -1.35 -0.49 0.00 0.00 175.26 176.00 1u8e h PRO 178 N 6.54 0.12 -0.63 0.39 0.11 -1.86 0.40 132.00 137.07 1u8e h PRO 178 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1u8e h PRO 178 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1u8e h PRO 178 CO 0.48 0.08 0.00 0.27 -0.21 0.00 0.00 178.00 178.62 1u8e n ASN 179 N -4.83 4.33 -4.97 -2.05 6.94 -1.26 -4.83 115.26 108.58 1u8e n ASN 179 Ca 0.36 -2.30 -0.21 0.00 -0.02 0.00 0.00 54.58 52.40 1u8e n ASN 179 Cb 1.32 -0.52 -0.02 0.00 -2.36 0.00 0.00 39.78 38.20 1u8e n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1u8e s LEU 180 N -1.57 4.31 0.62 -4.53 1.02 0.13 -4.52 118.68 114.14 1u8e s LEU 180 Ca 0.47 0.07 -0.19 0.00 0.02 0.00 0.00 54.13 54.51 1u8e s LEU 180 Cb 0.29 -2.86 -0.03 0.00 0.02 0.00 0.00 46.19 43.62 1u8e s LEU 180 CO 0.26 -0.06 1.22 -2.65 0.02 0.00 0.00 176.35 175.13 1u8e n PRO 181 N -1.33 1.16 -2.96 1.29 -0.02 -1.26 -4.86 135.00 127.01 1u8e n PRO 181 Ca -0.09 0.45 -0.31 0.00 -2.02 0.00 0.00 63.50 61.53 1u8e n PRO 181 Cb 0.57 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 1u8e n PRO 181 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1u8e s SER 182 N -1.26 6.61 -0.41 2.55 0.01 -1.26 -4.71 113.70 115.23 1u8e s SER 182 Ca 0.79 1.18 -0.13 0.00 1.31 0.00 0.00 55.95 59.10 1u8e s SER 182 Cb -0.40 -2.34 0.04 0.00 0.21 0.00 0.00 66.02 63.53 1u8e s SER 182 CO 0.44 -0.33 0.27 -0.31 0.41 0.00 0.00 173.24 173.72 1u8e s TYR 183 N -2.23 3.25 -0.29 2.43 2.02 0.39 -4.90 117.35 118.02 1u8e s TYR 183 Ca 0.52 -0.91 -0.28 0.00 -0.37 0.00 0.00 57.07 56.03 1u8e s TYR 183 Cb -0.10 -2.66 -0.03 0.00 -0.40 0.00 0.00 41.96 38.77 1u8e s TYR 183 CO 0.26 -0.68 1.92 1.03 -1.57 0.00 0.00 175.55 176.51 1u8e s ARG 184 N 1.59 3.29 -0.03 -0.62 1.81 -1.26 -1.75 118.95 121.98 1u8e s ARG 184 Ca 0.03 1.62 -0.11 0.00 -1.72 0.00 0.00 55.73 55.55 1u8e s ARG 184 Cb -0.20 -4.25 -0.32 0.00 -0.45 0.00 0.00 34.95 29.74 1u8e s ARG 184 CO 0.07 -1.91 0.75 0.82 -0.68 0.00 0.00 175.30 174.35 1u8e h ILE 185 N 6.90 1.03 -3.95 1.52 1.08 -1.55 -3.39 117.51 119.15 1u8e h ILE 185 Ca -0.36 -2.58 -0.44 0.00 -0.39 0.00 0.00 64.86 61.10 1u8e h ILE 185 Cb 1.19 2.82 -0.22 0.00 -3.07 0.00 0.00 36.82 37.54 1u8e h ILE 185 CO 1.01 0.85 -0.79 0.28 -0.69 0.00 0.00 178.15 178.81 1u8e s THR 186 N -2.59 1.20 -0.02 -0.27 -1.32 -1.22 -4.76 115.64 106.67 1u8e s THR 186 Ca -0.14 -1.32 0.03 0.00 -1.21 0.00 0.00 61.69 59.05 1u8e s THR 186 Cb 0.05 -1.14 0.04 0.00 -1.51 0.00 0.00 72.50 69.94 1u8e s THR 186 CO 0.87 -0.18 0.89 0.79 -2.21 0.00 0.00 174.62 174.78 1u8e n TRP 187 N 1.30 0.00 0.98 9.09 7.02 -1.26 -4.41 117.44 130.16 1u8e n TRP 187 Ca -0.21 -0.40 0.11 0.00 -1.02 0.00 0.00 57.50 55.97 1u8e n TRP 187 Cb 0.54 -0.05 -0.04 0.00 -2.42 0.00 0.00 31.31 29.34 1u8e n TRP 187 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1u8e n THR 188 N -0.46 0.00 -1.63 -0.99 -2.24 -1.26 -5.00 114.28 102.69 1u8e n THR 188 Ca 0.02 -0.19 -0.44 0.00 -2.27 0.00 0.00 64.05 61.17 1u8e n THR 188 Cb 0.40 1.18 -0.02 0.00 -2.10 0.00 0.00 70.33 69.79 1u8e n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u8e n GLY 189 N 1.43 0.18 3.49 3.38 0.00 -1.26 -4.73 105.19 107.68 1u8e n GLY 189 Ca 0.08 0.37 -0.05 0.00 0.00 0.00 0.00 46.02 46.42 1u8e n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u8e s LYS 190 N -1.32 0.48 -0.25 1.61 2.20 -0.68 -4.89 119.74 116.89 1u8e s LYS 190 Ca 0.61 1.26 -0.43 0.00 -0.36 0.00 0.00 55.97 57.04 1u8e s LYS 190 Cb -0.67 0.59 -0.20 0.00 -1.51 0.00 0.00 37.83 36.04 1u8e s LYS 190 CO 0.58 -0.22 1.33 -1.91 -0.36 0.00 0.00 175.35 174.77 1u8e n GLU 191 N 5.32 0.00 -0.68 4.03 2.13 -1.26 -0.23 120.64 129.95 1u8e n GLU 191 Ca -0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.70 1u8e n GLU 191 Cb 0.50 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.72 1u8e n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1u8e n ASP 192 N 2.75 -0.52 0.01 4.31 8.00 -1.26 -4.73 116.55 125.11 1u8e n ASP 192 Ca 0.25 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.75 1u8e n ASP 192 Cb 0.01 -1.88 -0.00 0.00 -0.02 0.00 0.00 41.12 39.23 1u8e n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1u8e n ILE 193 N -2.03 0.60 -4.26 0.53 2.08 0.68 -4.65 119.36 112.31 1u8e n ILE 193 Ca 0.00 0.22 -0.33 0.00 0.56 0.00 0.00 62.75 63.19 1u8e n ILE 193 Cb 0.04 -1.38 -0.16 0.00 -0.75 0.00 0.00 39.64 37.39 1u8e n ILE 193 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1u8e s ILE 194 N -1.54 2.41 -0.25 1.39 1.01 -0.21 -0.05 121.20 123.96 1u8e s ILE 194 Ca -0.02 -0.83 -0.06 0.00 0.00 0.00 0.00 60.65 59.74 1u8e s ILE 194 Cb 0.00 -2.03 -0.00 0.00 0.01 0.00 0.00 42.46 40.44 1u8e s ILE 194 CO 0.03 0.52 0.02 -0.31 0.00 0.00 0.00 174.94 175.21 1u8e s TYR 195 N 1.14 3.06 -0.32 3.97 1.51 0.37 -1.68 117.35 125.41 1u8e s TYR 195 Ca 0.01 -0.87 -0.06 0.00 -1.01 0.00 0.00 57.07 55.13 1u8e s TYR 195 Cb -0.14 -2.18 0.03 0.00 -0.11 0.00 0.00 41.96 39.55 1u8e s TYR 195 CO -0.07 -0.53 0.08 -0.80 -1.11 0.00 0.00 175.55 173.13 1u8e s ASN 196 N 1.51 5.18 0.00 2.29 0.01 -0.70 -0.62 114.94 122.61 1u8e s ASN 196 Ca 0.04 -0.97 0.00 0.00 -0.71 0.00 0.00 52.86 51.22 1u8e s ASN 196 Cb -0.16 -1.86 0.00 0.00 0.41 0.00 0.00 41.25 39.65 1u8e s ASN 196 CO 0.00 -0.27 0.00 0.61 -1.51 0.00 0.00 177.10 175.94 1u8e n GLY 197 N 4.82 1.45 3.22 0.66 0.00 -0.58 -4.15 105.19 110.61 1u8e n GLY 197 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 1u8e n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1u8e s ILE 198 N -2.67 1.09 0.42 -0.61 -4.36 -1.26 0.23 121.20 114.04 1u8e s ILE 198 Ca 0.00 -1.89 -0.01 0.00 -0.26 0.00 0.00 60.65 58.49 1u8e s ILE 198 Cb 0.00 -1.66 -0.02 0.00 1.25 0.00 0.00 42.46 42.03 1u8e s ILE 198 CO 0.00 -0.66 0.65 0.42 0.24 0.00 0.00 174.94 175.59 1u8e s THR 199 N -2.95 4.49 0.84 8.37 -4.23 -0.35 -4.72 115.64 117.09 1u8e s THR 199 Ca 0.12 -0.38 -0.06 0.00 -1.18 0.00 0.00 61.69 60.19 1u8e s THR 199 Cb 0.00 -3.66 0.18 0.00 1.34 0.00 0.00 72.50 70.36 1u8e s THR 199 CO 0.00 -0.48 1.14 1.51 -0.54 0.00 0.00 174.62 176.25 1u8e s ASP 200 N -4.14 3.69 0.15 3.99 -4.77 -1.26 -4.75 116.67 109.58 1u8e s ASP 200 Ca 0.45 -0.28 -0.20 0.00 -3.30 0.00 0.00 52.55 49.21 1u8e s ASP 200 Cb -0.10 0.13 0.04 0.00 -1.09 0.00 0.00 42.92 41.91 1u8e s ASP 200 CO 0.38 -2.32 1.65 -0.25 0.70 0.00 0.00 175.17 175.33 1u8e h TRP 201 N -1.01 -0.44 0.00 2.11 7.01 -1.99 -1.41 115.95 120.21 1u8e h TRP 201 Ca -0.38 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 60.56 1u8e h TRP 201 Cb 1.24 0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 28.53 1u8e h TRP 201 CO -0.71 -0.25 -0.46 -0.24 -2.79 0.00 0.00 178.44 173.99 1u8e h VAL 202 N -0.15 1.32 -0.02 2.65 3.04 -1.94 -1.92 116.25 119.23 1u8e h VAL 202 Ca 0.15 -1.57 -0.23 0.00 -1.01 0.00 0.00 66.70 64.04 1u8e h VAL 202 Cb 0.38 1.85 0.01 0.00 -2.01 0.00 0.00 31.29 31.51 1u8e h VAL 202 CO -0.37 0.45 -0.92 1.88 -1.01 0.00 0.00 177.57 177.60 1u8e h TYR 203 N 0.00 0.70 0.08 3.17 -1.99 -1.85 -1.12 116.97 115.97 1u8e h TYR 203 Ca -0.00 -0.37 -0.00 0.00 2.00 0.00 0.00 58.73 60.35 1u8e h TYR 203 Cb 0.81 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.46 1u8e h TYR 203 CO 0.00 1.18 -0.04 1.49 -0.00 0.00 0.00 178.16 180.80 1u8e h GLU 204 N 0.28 -0.11 -0.02 4.88 4.81 -1.14 -0.41 114.58 122.89 1u8e h GLU 204 Ca -0.08 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1u8e h GLU 204 Cb 1.55 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.96 1u8e h GLU 204 CO 0.16 0.06 -0.16 1.49 -0.73 0.00 0.00 179.01 179.83 1u8e h GLU 205 N -0.25 0.14 0.00 1.92 4.57 -1.40 -0.66 114.58 118.88 1u8e h GLU 205 Ca -0.01 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1u8e h GLU 205 Cb 0.22 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1u8e h GLU 205 CO 0.02 0.83 -1.42 0.39 -1.18 0.00 0.00 179.01 177.65 1u8e n GLU 206 N -4.59 0.57 -0.01 1.92 -0.58 -0.42 -4.50 120.64 113.03 1u8e n GLU 206 Ca -0.09 -0.09 -0.04 0.00 -0.42 0.00 0.00 57.16 56.52 1u8e n GLU 206 Cb 0.44 -1.45 -0.01 0.00 -0.57 0.00 0.00 31.44 29.84 1u8e n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1u8e n VAL 207 N -1.83 1.34 1.02 2.62 0.31 -1.01 -4.85 118.33 115.93 1u8e n VAL 207 Ca 0.00 0.30 0.11 0.00 -0.01 0.00 0.00 64.34 64.74 1u8e n VAL 207 Cb 0.42 -1.90 0.01 0.00 -0.91 0.00 0.00 33.84 31.46 1u8e n VAL 207 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1u8e n PHE 208 N -3.89 0.00 -4.16 3.52 3.72 -0.19 -4.96 117.46 111.50 1u8e n PHE 208 Ca -0.06 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.01 1u8e n PHE 208 Cb 0.21 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.66 1u8e n PHE 208 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1u8e n SER 209 N -1.20 -2.33 -3.55 4.37 7.64 -0.29 -4.89 113.62 113.35 1u8e n SER 209 Ca 0.06 -1.02 -0.10 0.00 1.01 0.00 0.00 58.87 58.82 1u8e n SER 209 Cb 0.35 -2.79 -0.04 0.00 -1.01 0.00 0.00 64.21 60.72 1u8e n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u8e s ALA 210 N -3.52 -1.90 -0.18 -0.43 0.00 -0.97 -4.97 121.76 109.79 1u8e s ALA 210 Ca 0.51 1.41 0.16 0.00 0.00 0.00 0.00 51.96 54.04 1u8e s ALA 210 Cb -0.28 -0.32 0.05 0.00 0.00 0.00 0.00 23.12 22.57 1u8e s ALA 210 CO 0.92 -0.44 1.35 -0.92 0.00 0.00 0.00 175.76 176.67 1u8e h TYR 211 N 2.38 0.00 -3.68 0.00 3.20 -1.87 -3.38 116.97 113.63 1u8e h TYR 211 Ca -0.19 0.00 -0.52 0.00 3.14 0.00 0.00 58.73 61.16 1u8e h TYR 211 Cb 1.19 0.00 0.04 0.00 1.54 0.00 0.00 36.73 39.49 1u8e h TYR 211 CO 0.28 0.45 0.58 0.45 -1.64 0.00 0.00 178.16 178.28 1u8e s SER 212 N -6.29 7.00 -0.15 -2.11 0.15 -1.26 -1.21 113.70 109.83 1u8e s SER 212 Ca 0.03 2.43 0.19 0.00 0.70 0.00 0.00 55.95 59.30 1u8e s SER 212 Cb 0.08 -2.63 0.45 0.00 -1.71 0.00 0.00 66.02 62.21 1u8e s SER 212 CO 0.75 -0.39 1.17 0.00 1.20 0.00 0.00 173.24 175.97 1u8e n ALA 213 N 1.62 3.08 -2.89 5.45 0.00 0.13 -4.61 120.51 123.29 1u8e n ALA 213 Ca 0.02 -2.86 -0.16 0.00 0.00 0.00 0.00 53.44 50.43 1u8e n ALA 213 Cb 0.43 -0.63 -0.15 0.00 0.00 0.00 0.00 19.45 19.11 1u8e n ALA 213 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1u8e s LEU 214 N -2.14 1.90 -0.22 0.00 0.05 -1.23 -1.25 118.68 115.79 1u8e s LEU 214 Ca 0.36 -0.10 -0.01 0.00 0.05 0.00 0.00 54.13 54.43 1u8e s LEU 214 Cb 0.37 -0.30 0.06 0.00 -2.05 0.00 0.00 46.19 44.28 1u8e s LEU 214 CO -0.09 0.05 -0.01 0.26 -0.55 0.00 0.00 176.35 176.01 1u8e s TRP 215 N 0.04 1.77 0.54 3.48 0.51 0.64 -4.98 118.94 120.94 1u8e s TRP 215 Ca 0.00 -1.36 -0.20 0.00 -2.12 0.00 0.00 56.10 52.43 1u8e s TRP 215 Cb -0.04 -1.34 -0.06 0.00 -0.81 0.00 0.00 33.47 31.22 1u8e s TRP 215 CO -0.00 -0.70 1.13 -1.58 -0.51 0.00 0.00 176.95 175.28 1u8e s TRP 216 N 1.61 2.69 0.70 -1.98 0.52 -1.26 -1.35 118.94 119.86 1u8e s TRP 216 Ca -0.03 1.54 -0.12 0.00 0.02 0.00 0.00 56.10 57.51 1u8e s TRP 216 Cb -0.18 -3.29 0.01 0.00 -1.15 0.00 0.00 33.47 28.86 1u8e s TRP 216 CO -0.07 -1.56 1.07 -1.54 0.02 0.00 0.00 176.95 174.87 1u8e s SER 217 N -1.74 5.20 0.29 2.95 1.04 0.12 -4.90 113.70 116.66 1u8e s SER 217 Ca 0.72 1.71 0.00 0.00 0.48 0.00 0.00 55.95 58.86 1u8e s SER 217 Cb -0.24 -2.51 0.68 0.00 0.10 0.00 0.00 66.02 64.05 1u8e s SER 217 CO 0.27 -1.57 1.61 -0.65 0.98 0.00 0.00 173.24 173.89 1u8e h PRO 218 N -0.64 0.10 -0.51 4.02 0.11 -1.90 -0.18 132.00 133.00 1u8e h PRO 218 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1u8e h PRO 218 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1u8e h PRO 218 CO 0.55 0.06 0.00 0.27 -0.21 0.00 0.00 178.00 178.68 1u8e n ASN 219 N -5.36 3.17 -0.13 -2.05 6.94 -1.26 -4.56 115.26 112.01 1u8e n ASN 219 Ca 0.21 -1.97 -0.02 0.00 -0.02 0.00 0.00 54.58 52.78 1u8e n ASN 219 Cb 0.68 -0.34 -0.01 0.00 -2.36 0.00 0.00 39.78 37.75 1u8e n ASN 219 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1u8e n GLY 220 N 1.45 0.52 0.10 4.83 0.00 -0.08 -4.75 105.19 107.26 1u8e n GLY 220 Ca 0.20 -0.94 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 1u8e n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1u8e h THR 221 N 0.00 1.33 -2.97 2.61 2.02 -1.93 -3.46 112.91 110.51 1u8e h THR 221 Ca -0.03 -2.33 -0.67 0.00 0.77 0.00 0.00 66.41 64.14 1u8e h THR 221 Cb 0.12 2.88 -0.11 0.00 -1.74 0.00 0.00 68.15 69.29 1u8e h THR 221 CO 0.05 0.56 -0.54 -0.36 0.37 0.00 0.00 175.52 175.60 1u8e s PHE 222 N -2.35 3.40 -0.36 3.16 0.08 -1.26 -0.57 117.98 120.09 1u8e s PHE 222 Ca -0.21 0.35 -0.03 0.00 0.12 0.00 0.00 56.93 57.16 1u8e s PHE 222 Cb 0.02 -1.90 0.08 0.00 -0.57 0.00 0.00 43.02 40.64 1u8e s PHE 222 CO 0.70 0.57 0.12 -1.17 -0.10 0.00 0.00 175.22 175.33 1u8e s LEU 223 N -0.80 4.64 0.26 -0.37 2.96 0.63 0.16 118.68 126.16 1u8e s LEU 223 Ca 0.13 -1.64 -0.11 0.00 -0.22 0.00 0.00 54.13 52.29 1u8e s LEU 223 Cb -0.12 -1.79 -0.08 0.00 0.50 0.00 0.00 46.19 44.70 1u8e s LEU 223 CO 0.03 -0.41 0.60 0.00 -1.32 0.00 0.00 176.35 175.25 1u8e s ALA 224 N 1.22 3.50 -0.03 5.97 0.00 -0.46 -1.01 121.76 130.94 1u8e s ALA 224 Ca 0.02 -0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.51 1u8e s ALA 224 Cb -0.21 -2.53 0.08 0.00 0.00 0.00 0.00 23.12 20.46 1u8e s ALA 224 CO -0.02 0.46 0.74 1.52 0.00 0.00 0.00 175.76 178.45 1u8e s TYR 225 N -1.87 -0.56 0.19 0.00 1.13 0.06 -0.26 117.35 116.04 1u8e s TYR 225 Ca 0.49 0.82 0.05 0.00 -1.41 0.00 0.00 57.07 57.02 1u8e s TYR 225 Cb -0.11 0.46 -0.04 0.00 -1.10 0.00 0.00 41.96 41.17 1u8e s TYR 225 CO 0.20 -0.60 0.22 0.00 -2.51 0.00 0.00 175.55 172.86 1u8e s ALA 226 N -1.81 3.74 -0.06 9.51 0.00 -0.38 -0.76 121.76 132.00 1u8e s ALA 226 Ca -0.06 -1.21 0.03 0.00 0.00 0.00 0.00 51.96 50.72 1u8e s ALA 226 Cb -0.00 -1.52 0.01 0.00 0.00 0.00 0.00 23.12 21.60 1u8e s ALA 226 CO 0.03 0.43 -0.14 -1.14 0.00 0.00 0.00 175.76 174.93 1u8e s GLN 227 N -3.41 1.79 -0.11 0.00 0.74 0.33 -1.53 119.66 117.47 1u8e s GLN 227 Ca 0.33 -0.48 0.01 0.00 0.05 0.00 0.00 55.36 55.27 1u8e s GLN 227 Cb -0.10 -1.48 -0.01 0.00 1.10 0.00 0.00 33.01 32.52 1u8e s GLN 227 CO 0.26 0.09 -0.16 -0.06 -0.55 0.00 0.00 175.29 174.86 1u8e s PHE 228 N 0.49 2.73 -0.32 1.67 0.08 0.21 -1.46 117.98 121.37 1u8e s PHE 228 Ca -0.12 -0.71 -0.03 0.00 0.12 0.00 0.00 56.93 56.19 1u8e s PHE 228 Cb -0.15 -1.78 0.05 0.00 -0.57 0.00 0.00 43.02 40.57 1u8e s PHE 228 CO 0.04 -0.23 0.05 1.21 -0.10 0.00 0.00 175.22 176.19 1u8e s ASN 229 N 0.24 5.06 0.00 1.36 3.84 -0.34 -0.48 114.94 124.63 1u8e s ASN 229 Ca -0.11 -1.28 0.19 0.00 0.21 0.00 0.00 52.86 51.87 1u8e s ASN 229 Cb -0.16 -1.77 0.49 0.00 -0.55 0.00 0.00 41.25 39.26 1u8e s ASN 229 CO 0.06 -0.30 1.41 0.47 -2.79 0.00 0.00 177.10 175.95 1u8e n ASP 230 N 4.69 3.51 -0.25 -4.21 9.92 0.93 -1.23 116.55 129.90 1u8e n ASP 230 Ca -0.12 -1.98 0.05 0.00 -0.53 0.00 0.00 54.79 52.21 1u8e n ASP 230 Cb 0.44 -0.36 0.11 0.00 -0.64 0.00 0.00 41.12 40.66 1u8e n ASP 230 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1u8e n THR 231 N 1.25 -0.29 -0.41 -3.53 -1.04 -1.25 0.42 114.28 109.44 1u8e n THR 231 Ca 0.19 1.60 0.11 0.00 -2.04 0.00 0.00 64.05 63.91 1u8e n THR 231 Cb 0.55 -2.22 0.32 0.00 -1.82 0.00 0.00 70.33 67.15 1u8e n THR 231 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1u8e n GLU 232 N -5.12 2.92 -2.73 -2.82 1.02 -1.26 -4.94 120.64 107.70 1u8e n GLU 232 Ca 0.12 -2.67 -0.42 0.00 -0.02 0.00 0.00 57.16 54.16 1u8e n GLU 232 Cb 0.37 -1.61 -0.03 0.00 -0.02 0.00 0.00 31.44 30.15 1u8e n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1u8e s VAL 233 N -1.15 4.83 0.62 2.62 1.01 0.17 -4.64 120.40 123.85 1u8e s VAL 233 Ca 0.48 1.97 -0.18 0.00 0.00 0.00 0.00 61.98 64.25 1u8e s VAL 233 Cb 0.26 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1u8e s VAL 233 CO 0.31 0.06 1.24 -2.84 0.00 0.00 0.00 175.10 173.87 1u8e s PRO 234 N 1.69 2.77 -0.13 2.72 0.02 -1.26 -4.67 135.00 136.14 1u8e s PRO 234 Ca 0.48 1.90 -0.04 0.00 0.02 0.00 0.00 61.00 63.36 1u8e s PRO 234 Cb -0.19 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.40 1u8e s PRO 234 CO 0.20 -1.38 0.01 -0.51 -0.33 0.00 0.00 177.00 174.98 1u8e s LEU 235 N -4.25 3.55 0.13 -5.54 1.02 -1.26 -0.95 118.68 111.38 1u8e s LEU 235 Ca 0.79 0.06 -0.24 0.00 0.02 0.00 0.00 54.13 54.75 1u8e s LEU 235 Cb -0.33 -1.84 -0.07 0.00 0.02 0.00 0.00 46.19 43.97 1u8e s LEU 235 CO 0.36 0.28 0.74 -0.51 0.02 0.00 0.00 176.35 177.23 1u8e s ILE 236 N -0.26 4.48 -0.01 -0.59 1.10 -0.86 -4.84 121.20 120.22 1u8e s ILE 236 Ca 0.06 1.61 0.04 0.00 -0.51 0.00 0.00 60.65 61.85 1u8e s ILE 236 Cb -0.12 -4.09 -0.01 0.00 0.15 0.00 0.00 42.46 38.38 1u8e s ILE 236 CO 0.02 0.51 -0.13 -1.61 -2.11 0.00 0.00 174.94 171.62 1u8e s GLU 237 N -1.00 1.06 0.06 3.50 2.02 -1.26 -1.79 118.70 121.30 1u8e s GLU 237 Ca 0.35 -0.48 -0.18 0.00 0.02 0.00 0.00 54.97 54.69 1u8e s GLU 237 Cb -0.22 -1.03 0.04 0.00 0.10 0.00 0.00 34.13 33.02 1u8e s GLU 237 CO 0.25 0.28 0.41 1.52 0.02 0.00 0.00 175.26 177.74 1u8e s TYR 238 N -0.32 -0.26 0.23 1.61 1.13 -0.48 -4.98 117.35 114.28 1u8e s TYR 238 Ca 0.05 0.16 -0.21 0.00 -1.41 0.00 0.00 57.07 55.66 1u8e s TYR 238 Cb -0.05 0.23 -0.08 0.00 -1.10 0.00 0.00 41.96 40.96 1u8e s TYR 238 CO -0.00 -0.60 0.75 -1.12 -2.51 0.00 0.00 175.55 172.06 1u8e s SER 239 N -2.18 7.12 -0.14 -0.18 0.01 -1.26 0.16 113.70 117.23 1u8e s SER 239 Ca -0.03 1.48 0.01 0.00 1.31 0.00 0.00 55.95 58.71 1u8e s SER 239 Cb -0.00 -2.44 0.02 0.00 0.21 0.00 0.00 66.02 63.81 1u8e s SER 239 CO -0.04 0.04 -0.16 0.12 0.41 0.00 0.00 173.24 173.61 1u8e s PHE 240 N -1.49 2.23 0.05 2.43 5.36 0.11 -4.70 117.98 121.97 1u8e s PHE 240 Ca 0.43 -1.22 0.09 0.00 -0.96 0.00 0.00 56.93 55.27 1u8e s PHE 240 Cb -0.17 -1.61 -0.19 0.00 -0.34 0.00 0.00 43.02 40.70 1u8e s PHE 240 CO 0.22 -0.64 1.14 1.88 -1.46 0.00 0.00 175.22 176.35 1u8e h TYR 241 N 7.86 0.00 -0.66 10.12 -1.99 -1.96 -1.32 116.97 129.03 1u8e h TYR 241 Ca -0.37 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.36 1u8e h TYR 241 Cb 1.15 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.88 1u8e h TYR 241 CO 0.47 0.95 0.00 0.45 -0.00 0.00 0.00 178.16 180.03 1u8e n SER 242 N -3.26 -1.97 -4.78 3.88 2.88 -1.26 -4.74 113.62 104.36 1u8e n SER 242 Ca -0.04 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.15 1u8e n SER 242 Cb 0.95 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.39 1u8e n SER 242 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1u8e s ASP 243 N -4.00 6.17 0.43 -3.46 1.01 -1.26 -4.90 116.67 110.66 1u8e s ASP 243 Ca 0.00 2.11 0.28 0.00 0.71 0.00 0.00 52.55 55.65 1u8e s ASP 243 Cb 0.00 -2.58 1.39 0.00 1.01 0.00 0.00 42.92 42.74 1u8e s ASP 243 CO 0.00 -0.90 1.63 -0.08 0.21 0.00 0.00 175.17 176.03 1u8e h GLU 244 N 1.70 0.10 0.00 8.23 4.81 -2.04 0.25 114.58 127.62 1u8e h GLU 244 Ca -0.49 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1u8e h GLU 244 Cb 1.24 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 1u8e h GLU 244 CO 0.59 0.07 -0.00 0.66 -0.73 0.00 0.00 179.01 179.59 1u8e h SER 245 N 0.11 0.00 -3.09 1.04 4.64 -1.94 -3.41 113.55 110.90 1u8e h SER 245 Ca 0.81 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.56 1u8e h SER 245 Cb 2.47 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 64.52 1u8e h SER 245 CO -0.43 0.00 1.01 -0.22 -0.87 0.00 0.00 176.83 176.32 1u8e s LEU 246 N -6.25 3.85 0.02 5.97 0.20 0.86 -4.92 118.68 118.41 1u8e s LEU 246 Ca -0.04 1.24 -0.25 0.00 0.69 0.00 0.00 54.13 55.77 1u8e s LEU 246 Cb 0.12 -3.54 -0.18 0.00 -0.43 0.00 0.00 46.19 42.17 1u8e s LEU 246 CO 0.45 -1.15 1.43 -0.61 -0.29 0.00 0.00 176.35 176.18 1u8e h GLN 247 N 9.72 -0.10 -5.40 1.98 4.15 -1.88 -3.43 115.11 120.15 1u8e h GLN 247 Ca -0.28 0.01 -0.63 0.00 0.77 0.00 0.00 58.65 58.52 1u8e h GLN 247 Cb 1.11 0.02 -0.18 0.00 0.21 0.00 0.00 27.48 28.64 1u8e h GLN 247 CO 1.03 0.18 -0.62 0.71 -1.93 0.00 0.00 178.83 178.21 1u8e s TYR 248 N -5.04 3.13 0.50 3.99 1.51 -1.26 -5.08 117.35 115.11 1u8e s TYR 248 Ca -0.15 -0.08 -0.23 0.00 -1.01 0.00 0.00 57.07 55.60 1u8e s TYR 248 Cb 0.03 -1.98 -0.06 0.00 -0.11 0.00 0.00 41.96 39.84 1u8e s TYR 248 CO 0.64 0.12 1.40 -2.30 -1.11 0.00 0.00 175.55 174.30 1u8e n PRO 249 N 3.31 1.96 -4.00 -1.71 -0.02 -1.26 -5.00 135.00 128.28 1u8e n PRO 249 Ca -0.17 0.71 -0.24 0.00 -2.02 0.00 0.00 63.50 61.78 1u8e n PRO 249 Cb 0.53 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 1u8e n PRO 249 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1u8e s LYS 250 N -2.69 3.26 -0.22 -0.52 -2.85 -0.50 -4.91 119.74 111.31 1u8e s LYS 250 Ca 0.67 -0.76 -0.04 0.00 -1.00 0.00 0.00 55.97 54.84 1u8e s LYS 250 Cb -0.43 -2.83 -0.01 0.00 -2.06 0.00 0.00 37.83 32.51 1u8e s LYS 250 CO 0.53 0.47 -0.04 0.99 0.10 0.00 0.00 175.35 177.40 1u8e s THR 251 N -1.86 3.36 -0.08 3.79 2.01 -1.26 0.04 115.64 121.64 1u8e s THR 251 Ca 0.33 -0.53 -0.23 0.00 0.31 0.00 0.00 61.69 61.57 1u8e s THR 251 Cb -0.10 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 1u8e s THR 251 CO 0.27 0.40 0.68 -0.69 -0.69 0.00 0.00 174.62 174.59 1u8e s VAL 252 N 1.47 5.06 -0.07 3.82 1.01 0.12 -4.91 120.40 126.90 1u8e s VAL 252 Ca 0.05 1.39 0.01 0.00 0.00 0.00 0.00 61.98 63.44 1u8e s VAL 252 Cb -0.14 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.24 1u8e s VAL 252 CO -0.03 0.25 -0.09 0.00 0.00 0.00 0.00 175.10 175.23 1u8e s ARG 253 N 0.84 1.46 -0.06 2.72 1.70 -1.26 -1.38 118.95 122.97 1u8e s ARG 253 Ca 0.36 -0.30 -0.02 0.00 -0.47 0.00 0.00 55.73 55.30 1u8e s ARG 253 Cb -0.17 -1.33 0.04 0.00 -0.57 0.00 0.00 34.95 32.92 1u8e s ARG 253 CO 0.17 -0.08 0.11 0.54 -1.08 0.00 0.00 175.30 174.97 1u8e s VAL 254 N 1.01 -0.09 -0.23 4.99 0.11 -0.74 -4.96 120.40 120.49 1u8e s VAL 254 Ca -0.09 0.23 -0.37 0.00 -2.93 0.00 0.00 61.98 58.83 1u8e s VAL 254 Cb -0.15 -0.20 -0.13 0.00 -1.53 0.00 0.00 36.38 34.37 1u8e s VAL 254 CO -0.00 0.10 1.92 -2.65 -3.33 0.00 0.00 175.10 171.14 1u8e n PRO 255 N 4.45 1.50 -3.47 1.54 -0.02 -1.26 -2.04 135.00 135.70 1u8e n PRO 255 Ca -0.22 0.52 -0.09 0.00 -2.02 0.00 0.00 63.50 61.69 1u8e n PRO 255 Cb 0.51 -2.40 -0.09 0.00 -0.02 0.00 0.00 33.50 31.50 1u8e n PRO 255 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1u8e s TYR 256 N 4.82 -0.80 -0.31 6.00 6.14 -0.12 -4.42 117.35 128.65 1u8e s TYR 256 Ca 1.00 1.09 -0.25 0.00 0.64 0.00 0.00 57.07 59.54 1u8e s TYR 256 Cb -0.87 0.12 0.01 0.00 0.42 0.00 0.00 41.96 41.63 1u8e s TYR 256 CO 0.56 -0.62 0.89 -1.25 0.64 0.00 0.00 175.55 175.77 1u8e s PRO 257 N 2.56 3.99 0.49 4.97 0.04 -1.26 -4.54 135.00 141.26 1u8e s PRO 257 Ca 0.07 0.75 -0.04 0.00 0.04 0.00 0.00 61.00 61.82 1u8e s PRO 257 Cb -0.14 -3.73 -0.02 0.00 0.04 0.00 0.00 34.50 30.65 1u8e s PRO 257 CO -0.14 -0.76 0.77 0.15 0.04 0.00 0.00 177.00 177.06 1u8e s LYS 258 N 3.20 3.25 -0.38 4.56 1.02 -1.26 0.25 119.74 130.37 1u8e s LYS 258 Ca 0.37 -0.06 -0.45 0.00 0.02 0.00 0.00 55.97 55.85 1u8e s LYS 258 Cb -0.13 -2.41 -0.20 0.00 -0.52 0.00 0.00 37.83 34.56 1u8e s LYS 258 CO 0.14 -0.33 1.47 0.00 -0.92 0.00 0.00 175.35 175.71 1u8e n ALA 259 N -2.27 -1.88 -0.44 5.17 0.00 -0.23 -0.45 120.51 120.41 1u8e n ALA 259 Ca 0.01 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1u8e n ALA 259 Cb 0.56 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1u8e n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u8e n GLY 260 N 3.42 1.78 3.29 0.00 0.00 -1.26 -4.79 105.19 107.63 1u8e n GLY 260 Ca 0.28 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 1u8e n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8e n ALA 261 N 0.19 -2.02 -2.62 4.61 0.00 0.40 -4.98 120.51 116.10 1u8e n ALA 261 Ca 0.00 -1.50 -0.43 0.00 0.00 0.00 0.00 53.44 51.51 1u8e n ALA 261 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.34 1u8e n ALA 261 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u8e s VAL 262 N -3.26 4.55 0.62 0.00 1.01 -1.26 -4.93 120.40 117.14 1u8e s VAL 262 Ca 0.65 1.83 -0.09 0.00 0.00 0.00 0.00 61.98 64.37 1u8e s VAL 262 Cb -0.03 -4.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 1u8e s VAL 262 CO 0.47 -0.33 0.99 0.20 0.00 0.00 0.00 175.10 176.43 1u8e s ASN 263 N 1.54 5.85 0.58 3.32 0.01 -1.26 -4.23 114.94 120.74 1u8e s ASN 263 Ca 0.46 1.11 -0.15 0.00 -0.71 0.00 0.00 52.86 53.57 1u8e s ASN 263 Cb -0.14 -2.11 -0.04 0.00 0.41 0.00 0.00 41.25 39.37 1u8e s ASN 263 CO 0.12 -1.02 1.04 -2.16 -1.51 0.00 0.00 177.10 173.57 1u8e s PRO 264 N -5.13 3.46 0.29 -0.60 0.04 -1.26 -4.75 135.00 127.03 1u8e s PRO 264 Ca 0.55 1.09 0.07 0.00 0.04 0.00 0.00 61.00 62.75 1u8e s PRO 264 Cb -0.11 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 1u8e s PRO 264 CO 0.50 -0.69 0.32 0.95 0.04 0.00 0.00 177.00 178.12 1u8e s THR 265 N -2.59 4.36 0.06 1.26 -4.23 -0.37 -4.90 115.64 109.23 1u8e s THR 265 Ca 0.61 -1.21 0.04 0.00 -1.18 0.00 0.00 61.69 59.95 1u8e s THR 265 Cb -0.14 -3.47 -0.03 0.00 1.34 0.00 0.00 72.50 70.21 1u8e s THR 265 CO 0.38 -0.26 -0.11 0.54 -0.54 0.00 0.00 174.62 174.63 1u8e s VAL 266 N -2.14 0.82 0.04 2.29 0.11 -1.26 -1.19 120.40 119.05 1u8e s VAL 266 Ca 0.38 -1.18 0.02 0.00 -2.93 0.00 0.00 61.98 58.27 1u8e s VAL 266 Cb -0.08 -0.83 -0.02 0.00 -1.53 0.00 0.00 36.38 33.92 1u8e s VAL 266 CO 0.28 -0.30 -0.08 -0.54 -3.33 0.00 0.00 175.10 171.13 1u8e s LYS 267 N -1.64 0.55 -0.05 1.54 1.02 -0.54 -4.98 119.74 115.65 1u8e s LYS 267 Ca -0.06 -0.69 0.06 0.00 0.02 0.00 0.00 55.97 55.31 1u8e s LYS 267 Cb -0.10 -0.37 -0.02 0.00 -0.52 0.00 0.00 37.83 36.82 1u8e s LYS 267 CO 0.01 0.08 -0.23 0.12 -0.92 0.00 0.00 175.35 174.41 1u8e s PHE 268 N -1.16 2.46 0.10 3.18 5.36 -1.26 -0.51 117.98 126.14 1u8e s PHE 268 Ca -0.07 -0.52 0.01 0.00 -0.96 0.00 0.00 56.93 55.39 1u8e s PHE 268 Cb -0.09 -1.58 -0.04 0.00 -0.34 0.00 0.00 43.02 40.97 1u8e s PHE 268 CO 0.00 -0.08 -0.05 -0.06 -1.46 0.00 0.00 175.22 173.57 1u8e s PHE 269 N -0.40 0.87 -0.03 10.12 0.40 0.06 -1.73 117.98 127.27 1u8e s PHE 269 Ca 0.04 -0.95 -0.01 0.00 -0.60 0.00 0.00 56.93 55.41 1u8e s PHE 269 Cb -0.12 -0.51 0.03 0.00 0.51 0.00 0.00 43.02 42.93 1u8e s PHE 269 CO 0.01 -0.19 0.03 0.08 0.70 0.00 0.00 175.22 175.85 1u8e s VAL 270 N -3.68 -0.02 -0.06 -0.44 1.01 0.07 -0.76 120.40 116.53 1u8e s VAL 270 Ca 0.12 0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.41 1u8e s VAL 270 Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.28 1u8e s VAL 270 CO -0.05 0.13 -0.22 0.54 0.00 0.00 0.00 175.10 175.51 1u8e s VAL 271 N 1.43 1.79 -0.50 2.92 0.11 -0.18 -1.80 120.40 124.17 1u8e s VAL 271 Ca -0.04 -0.91 -0.27 0.00 -2.93 0.00 0.00 61.98 57.83 1u8e s VAL 271 Cb -0.13 -1.53 0.03 0.00 -1.53 0.00 0.00 36.38 33.22 1u8e s VAL 271 CO -0.03 0.50 1.05 0.21 -3.33 0.00 0.00 175.10 173.50 1u8e s ASN 272 N 0.03 6.52 0.05 3.54 3.04 -1.26 -0.27 114.94 126.58 1u8e s ASN 272 Ca -0.07 0.18 0.18 0.00 0.04 0.00 0.00 52.86 53.20 1u8e s ASN 272 Cb -0.14 -2.50 0.77 0.00 -1.54 0.00 0.00 41.25 37.84 1u8e s ASN 272 CO 0.04 -1.22 1.58 0.35 -3.04 0.00 0.00 177.10 174.81 1u8e n THR 273 N 6.60 0.82 0.96 -5.21 -2.24 0.27 -2.32 114.28 113.16 1u8e n THR 273 Ca 0.08 0.19 0.12 0.00 -2.27 0.00 0.00 64.05 62.17 1u8e n THR 273 Cb 0.49 -0.94 0.24 0.00 -2.10 0.00 0.00 70.33 68.01 1u8e n THR 273 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1u8e n ASP 274 N -1.64 0.52 -0.07 3.42 8.00 -1.26 -4.14 116.55 121.38 1u8e n ASP 274 Ca 0.04 -0.23 -0.09 0.00 0.71 0.00 0.00 54.79 55.22 1u8e n ASP 274 Cb 0.21 0.27 -0.15 0.00 -0.02 0.00 0.00 41.12 41.43 1u8e n ASP 274 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1u8e n SER 275 N -1.55 0.29 -4.63 -2.24 7.64 -0.98 -4.98 113.62 107.17 1u8e n SER 275 Ca 0.05 0.14 -0.58 0.00 1.01 0.00 0.00 58.87 59.49 1u8e n SER 275 Cb 0.34 0.68 -0.07 0.00 -1.01 0.00 0.00 64.21 64.15 1u8e n SER 275 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u8e n LEU 276 N -2.83 1.33 0.00 -3.43 -0.00 -1.21 -4.94 117.00 105.91 1u8e n LEU 276 Ca -0.27 1.13 0.00 0.00 -0.00 0.00 0.00 56.01 56.87 1u8e n LEU 276 Cb 1.11 -1.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 1u8e n LEU 276 CO 0.44 -1.08 0.00 -1.54 -0.00 0.00 0.00 177.39 175.21 1u8e n SER 277 N 3.22 0.00 0.00 1.45 3.41 -1.26 -5.05 113.62 115.39 1u8e n SER 277 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1u8e n SER 277 Cb 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1u8e n SER 277 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1u8e n SER 278 N 0.00 0.00 -0.28 4.04 2.88 -1.26 -4.90 113.62 114.10 1u8e n SER 278 Ca 0.00 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.63 1u8e n SER 278 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1u8e n SER 278 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1u8e n VAL 279 N 0.00 0.00 -4.42 2.46 0.31 -1.26 -4.94 118.33 110.48 1u8e n VAL 279 Ca 0.00 -0.24 -0.24 0.00 -0.01 0.00 0.00 64.34 63.85 1u8e n VAL 279 Cb 0.00 1.15 -0.13 0.00 -0.91 0.00 0.00 33.84 33.95 1u8e n VAL 279 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1u8e s THR 280 N -2.29 1.63 0.17 2.52 2.01 -1.26 -5.12 115.64 113.30 1u8e s THR 280 Ca 0.13 -1.37 -0.30 0.00 0.31 0.00 0.00 61.69 60.45 1u8e s THR 280 Cb 0.14 -1.46 -0.07 0.00 0.01 0.00 0.00 72.50 71.12 1u8e s THR 280 CO 0.55 0.03 1.10 0.20 -0.69 0.00 0.00 174.62 175.81 1u8e s ASN 281 N -1.58 7.27 0.50 3.53 0.01 -1.26 -4.47 114.94 118.93 1u8e s ASN 281 Ca 0.06 2.07 -0.22 0.00 -0.71 0.00 0.00 52.86 54.06 1u8e s ASN 281 Cb -0.09 -2.60 -0.08 0.00 0.41 0.00 0.00 41.25 38.89 1u8e s ASN 281 CO 0.03 -0.23 1.09 0.00 -1.51 0.00 0.00 177.10 176.49 1u8e n ALA 282 N 2.48 0.59 -2.88 0.60 0.00 -1.26 -4.97 120.51 115.07 1u8e n ALA 282 Ca 0.03 0.15 -0.34 0.00 0.00 0.00 0.00 53.44 53.28 1u8e n ALA 282 Cb 0.46 -2.16 -0.11 0.00 0.00 0.00 0.00 19.45 17.64 1u8e n ALA 282 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1u8e s THR 283 N -1.34 4.44 -0.23 0.00 2.01 -1.26 -5.00 115.64 114.25 1u8e s THR 283 Ca 0.68 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 62.50 1u8e s THR 283 Cb -0.48 -2.98 0.02 0.00 0.01 0.00 0.00 72.50 69.06 1u8e s THR 283 CO 0.53 0.47 -0.07 -0.44 -0.69 0.00 0.00 174.62 174.42 1u8e s SER 284 N 0.40 4.17 0.06 3.53 0.01 -1.26 -4.50 113.70 116.10 1u8e s SER 284 Ca 0.00 -0.70 -0.29 0.00 1.31 0.00 0.00 55.95 56.27 1u8e s SER 284 Cb -0.13 -1.67 -0.05 0.00 0.21 0.00 0.00 66.02 64.39 1u8e s SER 284 CO 0.01 -0.08 0.93 -0.63 0.41 0.00 0.00 173.24 173.88 1u8e s ILE 285 N 1.37 4.68 -0.00 1.44 1.09 -0.74 -4.82 121.20 124.21 1u8e s ILE 285 Ca 0.02 1.97 -0.07 0.00 -1.10 0.00 0.00 60.65 61.48 1u8e s ILE 285 Cb -0.15 -4.28 -0.05 0.00 -1.06 0.00 0.00 42.46 36.92 1u8e s ILE 285 CO -0.05 0.27 0.26 -1.58 -0.10 0.00 0.00 174.94 173.74 1u8e s GLN 286 N 0.36 3.58 -0.27 2.79 0.74 -1.26 -0.75 119.66 124.85 1u8e s GLN 286 Ca 0.47 -0.06 -0.00 0.00 0.05 0.00 0.00 55.36 55.81 1u8e s GLN 286 Cb -0.22 -3.09 0.04 0.00 1.10 0.00 0.00 33.01 30.84 1u8e s GLN 286 CO 0.28 0.66 -0.05 0.42 -0.55 0.00 0.00 175.29 176.04 1u8e s ILE 287 N -1.27 2.72 0.00 -2.34 1.01 -0.70 -4.87 121.20 115.75 1u8e s ILE 287 Ca 0.26 -1.32 0.00 0.00 0.00 0.00 0.00 60.65 59.59 1u8e s ILE 287 Cb -0.13 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.83 1u8e s ILE 287 CO 0.15 0.03 0.00 0.35 0.00 0.00 0.00 174.94 175.47 1u8e n THR 288 N 4.59 0.00 -0.93 2.92 -2.24 -1.26 -4.17 114.28 113.19 1u8e n THR 288 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1u8e n THR 288 Cb 0.44 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1u8e n THR 288 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u8e n ALA 289 N -3.00 0.00 -1.42 6.98 0.00 -1.26 -4.98 120.51 116.83 1u8e n ALA 289 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1u8e n ALA 289 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 1u8e n ALA 289 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1u8e s PRO 290 N 0.00 2.29 0.49 0.00 0.02 -1.26 -4.87 135.00 131.67 1u8e s PRO 290 Ca 0.00 1.73 0.15 0.00 0.02 0.00 0.00 61.00 62.90 1u8e s PRO 290 Cb 0.00 -1.85 1.16 0.00 0.02 0.00 0.00 34.50 33.83 1u8e s PRO 290 CO 0.00 -1.71 2.09 0.00 -0.33 0.00 0.00 177.00 177.05 1u8e h ALA 291 N -0.13 1.88 0.00 -1.55 0.00 -1.98 0.21 119.26 117.69 1u8e h ALA 291 Ca -0.48 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1u8e h ALA 291 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1u8e h ALA 291 CO 0.51 0.09 0.00 -1.13 0.00 0.00 0.00 179.25 178.72 1u8e n SER 292 N -4.46 0.00 -0.05 0.00 3.41 -1.26 -2.86 113.62 108.41 1u8e n SER 292 Ca -0.03 -0.60 -0.06 0.00 -0.26 0.00 0.00 58.87 57.92 1u8e n SER 292 Cb 0.15 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.01 1u8e n SER 292 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1u8e n MET 293 N -1.05 0.22 0.14 4.33 0.00 0.60 -4.59 117.12 116.77 1u8e n MET 293 Ca 0.16 0.05 0.12 0.00 0.00 0.00 0.00 57.70 58.03 1u8e n MET 293 Cb 0.09 -1.18 0.51 0.00 0.00 0.00 0.00 33.22 32.64 1u8e n MET 293 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1u8e n LEU 294 N -2.77 0.63 0.24 -0.89 4.77 -0.26 -2.57 117.00 116.15 1u8e n LEU 294 Ca -0.16 0.68 0.17 0.00 -0.03 0.00 0.00 56.01 56.67 1u8e n LEU 294 Cb 0.67 -0.63 0.79 0.00 -2.33 0.00 0.00 43.42 41.92 1u8e n LEU 294 CO 0.09 -0.65 0.99 0.16 -1.33 0.00 0.00 177.39 176.65 1u8e h ILE 295 N 0.00 0.00 -2.05 -0.08 3.07 -1.77 -3.46 117.51 113.22 1u8e h ILE 295 Ca 0.00 -0.18 -0.00 0.00 1.55 0.00 0.00 64.86 66.23 1u8e h ILE 295 Cb 0.28 1.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.83 1u8e h ILE 295 CO 0.00 0.00 0.02 0.61 -1.05 0.00 0.00 178.15 177.73 1u8e n GLY 296 N -0.63 1.88 3.78 0.16 0.00 -1.06 -5.14 105.19 104.18 1u8e n GLY 296 Ca -0.01 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 1u8e n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u8e s ASP 297 N -1.15 6.17 0.34 1.61 1.01 -1.26 -4.93 116.67 118.46 1u8e s ASP 297 Ca 0.01 3.02 -0.10 0.00 0.71 0.00 0.00 52.55 56.19 1u8e s ASP 297 Cb -0.00 -2.66 0.02 0.00 1.01 0.00 0.00 42.92 41.28 1u8e s ASP 297 CO 0.01 -0.99 0.60 -1.38 0.21 0.00 0.00 175.17 173.63 1u8e s HIS 298 N -1.15 0.52 0.06 4.23 -3.43 -1.26 -1.14 115.29 113.12 1u8e s HIS 298 Ca 0.56 -0.94 0.01 0.00 -0.80 0.00 0.00 55.06 53.88 1u8e s HIS 298 Cb -0.46 0.35 -0.03 0.00 -1.43 0.00 0.00 32.58 31.00 1u8e s HIS 298 CO 0.61 -1.27 -0.05 0.71 -2.00 0.00 0.00 174.74 172.74 1u8e s TYR 299 N -3.03 0.64 -0.40 0.38 2.02 0.10 -4.83 117.35 112.23 1u8e s TYR 299 Ca 0.22 -0.80 -0.16 0.00 -0.37 0.00 0.00 57.07 55.96 1u8e s TYR 299 Cb -0.02 -0.40 0.01 0.00 -0.40 0.00 0.00 41.96 41.14 1u8e s TYR 299 CO 0.14 -0.21 0.35 -1.17 -1.57 0.00 0.00 175.55 173.09 1u8e s LEU 300 N -2.43 4.88 -0.01 -1.29 2.96 -1.26 -1.02 118.68 120.51 1u8e s LEU 300 Ca 0.01 -0.69 0.15 0.00 -0.22 0.00 0.00 54.13 53.39 1u8e s LEU 300 Cb 0.00 -2.26 -0.19 0.00 0.50 0.00 0.00 46.19 44.25 1u8e s LEU 300 CO -0.04 -0.46 0.53 0.00 -1.32 0.00 0.00 176.35 175.06 1u8e s ASP 302 N -2.89 -0.60 -0.09 0.00 -1.08 -1.13 -4.86 116.67 106.02 1u8e s ASP 302 Ca 0.02 1.13 -0.01 0.00 -0.52 0.00 0.00 52.55 53.17 1u8e s ASP 302 Cb 0.11 1.14 0.03 0.00 -1.46 0.00 0.00 42.92 42.73 1u8e s ASP 302 CO 0.62 -0.23 -0.03 -0.69 0.52 0.00 0.00 175.17 175.36 1u8e s VAL 303 N 0.19 0.69 -0.12 1.11 1.01 -1.26 -1.05 120.40 120.96 1u8e s VAL 303 Ca -0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 1u8e s VAL 303 Cb -0.04 -0.79 0.06 0.00 0.00 0.00 0.00 36.38 35.61 1u8e s VAL 303 CO 0.01 0.30 0.13 -0.89 0.00 0.00 0.00 175.10 174.66 1u8e s THR 304 N 1.85 -0.20 0.33 3.92 2.01 -0.79 -5.03 115.64 117.74 1u8e s THR 304 Ca 0.05 0.14 -0.28 0.00 0.31 0.00 0.00 61.69 61.91 1u8e s THR 304 Cb -0.12 -0.42 -0.10 0.00 0.01 0.00 0.00 72.50 71.87 1u8e s THR 304 CO -0.07 -0.03 1.21 0.26 -0.69 0.00 0.00 174.62 175.30 1u8e s TRP 305 N 2.24 3.22 -0.19 4.92 0.52 -1.26 -0.81 118.94 127.57 1u8e s TRP 305 Ca 0.04 1.54 0.06 0.00 0.02 0.00 0.00 56.10 57.76 1u8e s TRP 305 Cb -0.14 -3.48 -0.16 0.00 -1.15 0.00 0.00 33.47 28.54 1u8e s TRP 305 CO -0.07 -1.31 -0.10 0.00 0.02 0.00 0.00 176.95 175.49 1u8e n ALA 306 N 0.73 1.56 -3.37 0.98 0.00 0.22 -4.87 120.51 115.76 1u8e n ALA 306 Ca 0.01 -0.97 -0.04 0.00 0.00 0.00 0.00 53.44 52.44 1u8e n ALA 306 Cb 0.44 -0.03 -0.01 0.00 0.00 0.00 0.00 19.45 19.86 1u8e n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1u8e n THR 307 N -2.93 0.00 0.31 0.00 -2.24 -0.84 -4.51 114.28 104.07 1u8e n THR 307 Ca -0.33 -0.60 0.20 0.00 -2.27 0.00 0.00 64.05 61.05 1u8e n THR 307 Cb 0.95 0.41 1.00 0.00 -2.10 0.00 0.00 70.33 70.59 1u8e n THR 307 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1u8e h GLN 308 N 0.00 0.00 0.00 -0.78 1.08 -1.97 -3.16 115.11 110.28 1u8e h GLN 308 Ca -0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1u8e h GLN 308 Cb 0.47 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1u8e h GLN 308 CO 0.15 0.00 -0.21 0.39 -0.95 0.00 0.00 178.83 178.21 1u8e n GLU 309 N -3.03 0.58 -3.94 1.46 1.02 -1.26 -4.88 120.64 110.59 1u8e n GLU 309 Ca -0.02 -1.18 -0.25 0.00 -0.02 0.00 0.00 57.16 55.70 1u8e n GLU 309 Cb 0.15 -0.73 -0.17 0.00 -0.02 0.00 0.00 31.44 30.67 1u8e n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1u8e s ARG 310 N -0.61 1.17 0.04 3.49 3.52 -1.20 -1.24 118.95 124.12 1u8e s ARG 310 Ca 0.05 -0.13 0.08 0.00 -0.13 0.00 0.00 55.73 55.61 1u8e s ARG 310 Cb 0.05 -1.29 -0.03 0.00 -1.56 0.00 0.00 34.95 32.12 1u8e s ARG 310 CO 0.01 -0.24 -0.24 -1.50 -0.81 0.00 0.00 175.30 172.52 1u8e s ILE 311 N 1.63 1.95 0.09 4.11 2.07 -0.01 0.70 121.20 131.74 1u8e s ILE 311 Ca 0.02 -1.28 0.07 0.00 -1.41 0.00 0.00 60.65 58.05 1u8e s ILE 311 Cb -0.13 -1.67 -0.04 0.00 0.13 0.00 0.00 42.46 40.75 1u8e s ILE 311 CO -0.05 0.34 -0.13 -0.94 -1.91 0.00 0.00 174.94 172.25 1u8e s SER 312 N -1.12 4.21 -0.00 4.50 1.04 0.01 -0.36 113.70 121.96 1u8e s SER 312 Ca 0.10 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1u8e s SER 312 Cb -0.09 -0.76 0.01 0.00 0.10 0.00 0.00 66.02 65.27 1u8e s SER 312 CO 0.02 0.20 0.00 -0.76 0.98 0.00 0.00 173.24 173.68 1u8e s LEU 313 N -2.00 1.84 -0.11 2.42 1.43 -0.13 -1.88 118.68 120.24 1u8e s LEU 313 Ca 0.19 0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1u8e s LEU 313 Cb -0.11 -0.03 -0.01 0.00 0.03 0.00 0.00 46.19 46.07 1u8e s LEU 313 CO 0.11 -0.02 -0.17 -1.10 0.23 0.00 0.00 176.35 175.40 1u8e s GLN 314 N 0.18 3.20 0.09 1.70 -0.21 -0.21 0.06 119.66 124.47 1u8e s GLN 314 Ca -0.02 -0.76 0.08 0.00 0.02 0.00 0.00 55.36 54.69 1u8e s GLN 314 Cb -0.02 -2.49 -0.04 0.00 1.00 0.00 0.00 33.01 31.45 1u8e s GLN 314 CO -0.01 0.24 -0.19 -1.58 -2.12 0.00 0.00 175.29 171.63 1u8e s TRP 315 N 0.26 2.52 -0.05 0.91 0.52 0.10 -1.13 118.94 122.08 1u8e s TRP 315 Ca -0.12 -0.27 0.03 0.00 0.02 0.00 0.00 56.10 55.76 1u8e s TRP 315 Cb -0.16 -1.38 0.01 0.00 -1.15 0.00 0.00 33.47 30.78 1u8e s TRP 315 CO 0.06 0.33 -0.13 -1.17 0.02 0.00 0.00 176.95 176.06 1u8e s LEU 316 N -1.87 1.75 0.59 2.99 2.96 -0.19 -0.75 118.68 124.17 1u8e s LEU 316 Ca 0.16 -0.29 -0.18 0.00 -0.22 0.00 0.00 54.13 53.60 1u8e s LEU 316 Cb -0.10 -0.82 -0.03 0.00 0.50 0.00 0.00 46.19 45.74 1u8e s LEU 316 CO 0.08 0.07 1.13 -0.13 -1.32 0.00 0.00 176.35 176.18 1u8e s ARG 317 N 0.39 3.10 0.30 1.98 0.52 -0.77 0.01 118.95 124.48 1u8e s ARG 317 Ca -0.09 1.54 0.06 0.00 -0.52 0.00 0.00 55.73 56.71 1u8e s ARG 317 Cb -0.13 -1.98 0.73 0.00 0.52 0.00 0.00 34.95 34.09 1u8e s ARG 317 CO 0.03 -1.04 1.78 -0.09 0.02 0.00 0.00 175.30 176.00 1u8e h ARG 318 N 0.70 0.76 -5.99 3.54 2.43 -1.45 -2.37 114.38 112.00 1u8e h ARG 318 Ca -0.49 -0.05 -0.61 0.00 -0.81 0.00 0.00 59.98 58.03 1u8e h ARG 318 Cb 1.26 -0.17 -0.11 0.00 -0.42 0.00 0.00 29.97 30.53 1u8e h ARG 318 CO 0.56 0.50 1.34 0.42 -1.51 0.00 0.00 179.97 181.28 1u8e s ILE 319 N -5.86 4.01 0.00 1.20 -1.09 -1.26 -4.80 121.20 113.40 1u8e s ILE 319 Ca -0.11 -0.72 0.00 0.00 -2.23 0.00 0.00 60.65 57.59 1u8e s ILE 319 Cb 0.25 -5.00 0.00 0.00 -1.58 0.00 0.00 42.46 36.13 1u8e s ILE 319 CO 0.80 -1.86 0.00 0.00 -1.23 0.00 0.00 174.94 172.65 1u8e n GLN 320 N 8.62 0.00 -0.25 2.79 6.02 -0.89 -3.64 117.38 130.03 1u8e n GLN 320 Ca 0.28 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.33 1u8e n GLN 320 Cb 0.50 -1.41 0.17 0.00 1.02 0.00 0.00 30.24 30.53 1u8e n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1u8e n ASN 321 N 1.34 3.12 -3.52 1.08 6.94 -1.26 -1.33 115.26 121.62 1u8e n ASN 321 Ca 0.00 -2.52 -0.08 0.00 -0.02 0.00 0.00 54.58 51.97 1u8e n ASN 321 Cb 0.00 -0.35 -0.08 0.00 -2.36 0.00 0.00 39.78 36.99 1u8e n ASN 321 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1u8e s TYR 322 N -1.92 -0.89 0.17 -2.53 6.14 -1.24 -1.97 117.35 115.11 1u8e s TYR 322 Ca 0.29 1.34 0.06 0.00 0.64 0.00 0.00 57.07 59.39 1u8e s TYR 322 Cb 0.21 0.25 -0.04 0.00 0.42 0.00 0.00 41.96 42.79 1u8e s TYR 322 CO 0.10 -0.60 -0.12 -1.54 0.64 0.00 0.00 175.55 174.03 1u8e s SER 323 N 2.62 2.12 -0.01 4.32 1.04 -0.16 -1.85 113.70 121.78 1u8e s SER 323 Ca 0.05 -1.01 0.01 0.00 0.48 0.00 0.00 55.95 55.48 1u8e s SER 323 Cb -0.13 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1u8e s SER 323 CO -0.15 -0.26 -0.04 -0.69 0.98 0.00 0.00 173.24 173.09 1u8e s VAL 324 N -3.12 0.34 -0.19 5.02 1.01 0.08 -1.31 120.40 122.23 1u8e s VAL 324 Ca 0.19 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 1u8e s VAL 324 Cb 0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 1u8e s VAL 324 CO 0.03 0.11 0.02 -0.32 0.00 0.00 0.00 175.10 174.95 1u8e s MET 325 N 0.12 3.77 0.04 2.72 1.75 0.38 -0.72 119.30 127.37 1u8e s MET 325 Ca -0.01 -0.45 0.02 0.00 -1.25 0.00 0.00 55.69 54.00 1u8e s MET 325 Cb -0.04 -3.11 -0.04 0.00 2.84 0.00 0.00 34.83 34.48 1u8e s MET 325 CO -0.00 0.16 0.05 -0.51 -0.65 0.00 0.00 175.02 174.06 1u8e s ASP 326 N 0.64 5.41 -0.21 1.11 1.01 0.11 -1.61 116.67 123.14 1u8e s ASP 326 Ca 0.01 0.01 -0.00 0.00 0.71 0.00 0.00 52.55 53.28 1u8e s ASP 326 Cb -0.14 -1.45 0.05 0.00 1.01 0.00 0.00 42.92 42.39 1u8e s ASP 326 CO 0.02 0.23 -0.04 -0.63 0.21 0.00 0.00 175.17 174.95 1u8e s ILE 327 N -1.25 1.30 -0.09 0.77 1.01 -1.26 -0.96 121.20 120.71 1u8e s ILE 327 Ca 0.25 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.96 1u8e s ILE 327 Cb -0.12 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 1u8e s ILE 327 CO 0.16 -0.04 -0.17 0.00 0.00 0.00 0.00 174.94 174.90 1u8e s ASP 329 N -0.02 4.92 0.45 0.00 1.01 -0.35 -0.83 116.67 121.84 1u8e s ASP 329 Ca -0.05 -0.10 -0.22 0.00 0.71 0.00 0.00 52.55 52.89 1u8e s ASP 329 Cb -0.14 -1.21 -0.08 0.00 1.01 0.00 0.00 42.92 42.50 1u8e s ASP 329 CO 0.04 0.25 1.07 -0.47 0.21 0.00 0.00 175.17 176.27 1u8e s TYR 330 N -1.12 3.07 -0.32 4.23 5.04 -0.37 -1.23 117.35 126.65 1u8e s TYR 330 Ca 0.20 1.60 0.02 0.00 -2.44 0.00 0.00 57.07 56.45 1u8e s TYR 330 Cb -0.11 -3.16 0.10 0.00 0.35 0.00 0.00 41.96 39.14 1u8e s TYR 330 CO 0.11 -0.90 0.06 0.34 -1.34 0.00 0.00 175.55 173.82 1u8e s ASP 331 N -1.69 4.38 0.22 4.32 -1.08 0.08 -4.90 116.67 117.99 1u8e s ASP 331 Ca 0.63 -1.85 -0.07 0.00 -0.52 0.00 0.00 52.55 50.74 1u8e s ASP 331 Cb -0.21 -1.27 0.35 0.00 -1.46 0.00 0.00 42.92 40.33 1u8e s ASP 331 CO 0.26 -0.38 1.73 -0.33 0.52 0.00 0.00 175.17 176.97 1u8e h GLU 332 N 7.84 0.39 -0.54 4.34 5.08 -1.93 1.76 114.58 131.51 1u8e h GLU 332 Ca -0.09 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1u8e h GLU 332 Cb 1.02 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 1u8e h GLU 332 CO 0.49 0.26 0.33 0.66 -1.00 0.00 0.00 179.01 179.76 1u8e h SER 333 N 0.41 0.65 0.37 1.42 4.64 -1.96 -3.09 113.55 115.99 1u8e h SER 333 Ca 0.35 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1u8e h SER 333 Cb 0.48 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1u8e h SER 333 CO -0.36 0.51 -1.29 -1.54 -0.87 0.00 0.00 176.83 173.28 1u8e n SER 334 N -4.67 0.52 0.00 4.97 3.41 -1.00 -4.96 113.62 111.89 1u8e n SER 334 Ca 0.03 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1u8e n SER 334 Cb 0.05 1.09 0.00 0.00 -0.26 0.00 0.00 64.21 65.08 1u8e n SER 334 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u8e n GLY 335 N 1.32 0.56 4.01 5.00 0.00 0.59 -5.00 105.19 111.68 1u8e n GLY 335 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1u8e n GLY 335 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u8e s ARG 336 N -0.43 1.91 -0.19 1.61 0.52 -1.20 -4.80 118.95 116.35 1u8e s ARG 336 Ca 0.00 -1.33 0.00 0.00 -0.52 0.00 0.00 55.73 53.88 1u8e s ARG 336 Cb 0.00 -2.45 0.02 0.00 0.52 0.00 0.00 34.95 33.03 1u8e s ARG 336 CO 0.00 -1.23 -0.17 -1.58 0.02 0.00 0.00 175.30 172.34 1u8e s TRP 337 N -2.96 2.84 -0.16 -0.53 0.52 -1.26 -0.74 118.94 116.65 1u8e s TRP 337 Ca 0.65 -1.61 -0.07 0.00 0.02 0.00 0.00 56.10 55.09 1u8e s TRP 337 Cb -0.05 -1.95 -0.04 0.00 -1.15 0.00 0.00 33.47 30.28 1u8e s TRP 337 CO 0.42 -0.78 0.09 -0.80 0.02 0.00 0.00 176.95 175.90 1u8e s ASN 338 N 1.30 5.91 -0.60 2.95 -0.87 -0.37 -4.86 114.94 118.40 1u8e s ASN 338 Ca 0.04 0.23 0.02 0.00 -1.57 0.00 0.00 52.86 51.58 1u8e s ASN 338 Cb -0.14 -1.95 0.15 0.00 -0.02 0.00 0.00 41.25 39.29 1u8e s ASN 338 CO -0.11 0.27 0.38 0.00 -2.57 0.00 0.00 177.10 175.07 1u8e n LEU 340 N 3.00 3.51 -4.36 0.00 4.77 -1.25 -4.90 117.00 117.76 1u8e n LEU 340 Ca 0.09 0.99 -0.30 0.00 -0.03 0.00 0.00 56.01 56.77 1u8e n LEU 340 Cb 0.34 -1.42 0.28 0.00 -2.33 0.00 0.00 43.42 40.29 1u8e n LEU 340 CO 0.33 -0.06 0.44 0.54 -1.33 0.00 0.00 177.39 177.32 1u8e s VAL 341 N 3.15 1.44 0.00 4.08 0.11 -1.26 -1.83 120.40 126.09 1u8e s VAL 341 Ca 0.88 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.93 1u8e s VAL 341 Cb -0.64 -2.08 0.00 0.00 -1.53 0.00 0.00 36.38 32.13 1u8e s VAL 341 CO 0.45 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.22 1u8e n ALA 342 N -5.43 0.00 1.18 1.54 0.00 -1.26 -4.44 120.51 112.10 1u8e n ALA 342 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.66 1u8e n ALA 342 Cb 0.58 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.27 1u8e n ALA 342 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1u8e n ARG 343 N -0.34 1.75 -3.38 0.00 0.63 -0.76 -4.65 116.66 109.90 1u8e n ARG 343 Ca 0.00 -1.30 -0.30 0.00 -0.92 0.00 0.00 57.85 55.33 1u8e n ARG 343 Cb 0.00 -1.47 -0.04 0.00 0.45 0.00 0.00 32.46 31.40 1u8e n ARG 343 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 1u8e s GLN 344 N -2.15 3.70 -0.09 -0.14 -2.07 -1.24 -4.50 119.66 113.16 1u8e s GLN 344 Ca 0.29 0.11 0.02 0.00 -1.82 0.00 0.00 55.36 53.96 1u8e s GLN 344 Cb 0.20 -2.66 0.01 0.00 -1.09 0.00 0.00 33.01 29.47 1u8e s GLN 344 CO 0.39 0.27 -0.16 -1.01 -1.32 0.00 0.00 175.29 173.45 1u8e s HIS 345 N -1.95 1.95 -0.13 9.60 3.76 -0.63 -4.93 115.29 122.95 1u8e s HIS 345 Ca 0.45 -0.84 -0.17 0.00 -0.15 0.00 0.00 55.06 54.35 1u8e s HIS 345 Cb -0.11 -1.38 -0.04 0.00 1.11 0.00 0.00 32.58 32.15 1u8e s HIS 345 CO 0.26 -0.41 0.42 0.42 -0.85 0.00 0.00 174.74 174.58 1u8e s ILE 346 N 0.76 5.23 -0.18 0.60 1.01 -1.26 -0.47 121.20 126.89 1u8e s ILE 346 Ca -0.11 0.82 0.01 0.00 0.00 0.00 0.00 60.65 61.36 1u8e s ILE 346 Cb -0.16 -3.75 0.03 0.00 0.01 0.00 0.00 42.46 38.59 1u8e s ILE 346 CO 0.02 0.35 -0.15 -0.70 0.00 0.00 0.00 174.94 174.46 1u8e s GLU 347 N 0.57 2.47 0.16 2.79 2.12 -0.42 -5.01 118.70 121.38 1u8e s GLU 347 Ca 0.23 -0.76 0.01 0.00 0.36 0.00 0.00 54.97 54.81 1u8e s GLU 347 Cb -0.14 -2.38 -0.04 0.00 0.26 0.00 0.00 34.13 31.83 1u8e s GLU 347 CO 0.08 -0.29 0.00 0.00 -0.54 0.00 0.00 175.26 174.51 1u8e s MET 348 N 1.38 1.04 0.01 4.30 0.23 -1.26 -0.99 119.30 124.01 1u8e s MET 348 Ca 0.03 -1.49 0.04 0.00 -1.03 0.00 0.00 55.69 53.23 1u8e s MET 348 Cb -0.14 -0.18 -0.01 0.00 -1.53 0.00 0.00 34.83 32.97 1u8e s MET 348 CO -0.11 -0.14 -0.11 0.45 -2.03 0.00 0.00 175.02 173.09 1u8e s SER 349 N -3.14 1.30 -0.01 -1.18 0.15 -0.83 -5.00 113.70 104.99 1u8e s SER 349 Ca 0.22 -0.30 0.13 0.00 0.70 0.00 0.00 55.95 56.70 1u8e s SER 349 Cb 0.06 -0.11 -0.17 0.00 -1.71 0.00 0.00 66.02 64.09 1u8e s SER 349 CO 0.02 0.06 0.45 0.35 1.20 0.00 0.00 173.24 175.33 1u8e n THR 350 N 2.40 0.00 0.37 6.45 -2.24 -1.26 -4.50 114.28 115.51 1u8e n THR 350 Ca -0.16 -0.24 0.09 0.00 -2.27 0.00 0.00 64.05 61.47 1u8e n THR 350 Cb 0.56 0.66 -0.12 0.00 -2.10 0.00 0.00 70.33 69.33 1u8e n THR 350 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1u8e n THR 351 N -1.59 0.00 0.00 4.28 -2.24 -1.26 -5.06 114.28 108.40 1u8e n THR 351 Ca 0.00 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1u8e n THR 351 Cb 0.27 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1u8e n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u8e n GLY 352 N 1.45 2.48 3.97 3.38 0.00 -1.26 -4.84 105.19 110.36 1u8e n GLY 352 Ca -0.00 0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 1u8e n GLY 352 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1u8e s TRP 353 N 0.94 1.81 -0.24 1.61 -2.14 -1.26 -4.57 118.94 115.08 1u8e s TRP 353 Ca 0.00 -0.69 -0.12 0.00 2.66 0.00 0.00 56.10 57.95 1u8e s TRP 353 Cb 0.00 -2.14 -0.05 0.00 -3.10 0.00 0.00 33.47 28.18 1u8e s TRP 353 CO 0.00 -0.74 0.24 0.08 -2.66 0.00 0.00 176.95 173.86 1u8e s VAL 354 N -2.63 5.30 0.00 -0.66 1.01 -0.44 -4.72 120.40 118.25 1u8e s VAL 354 Ca 0.51 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.82 1u8e s VAL 354 Cb -0.05 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1u8e s VAL 354 CO 0.32 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.32 1u8e n GLY 355 N 4.38 -0.59 0.11 4.51 0.00 -1.26 -3.09 105.19 109.26 1u8e n GLY 355 Ca -0.13 -1.73 -0.14 0.00 0.00 0.00 0.00 46.02 44.02 1u8e n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1u8e h ARG 356 N 0.00 0.25 0.00 1.61 3.08 -1.96 -3.39 114.38 113.97 1u8e h ARG 356 Ca 0.00 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1u8e h ARG 356 Cb 0.00 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1u8e h ARG 356 CO 0.00 0.82 -0.06 1.19 -1.07 0.00 0.00 179.97 180.86 1u8e n PHE 357 N -4.53 0.00 0.00 3.04 3.72 -1.26 -4.88 117.46 113.54 1u8e n PHE 357 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1u8e n PHE 357 Cb 0.44 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 1u8e n PHE 357 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1u8e n ARG 358 N -0.55 0.00 -1.74 -1.08 1.85 -1.24 -5.00 116.66 108.89 1u8e n ARG 358 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.43 1u8e n ARG 358 Cb 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.39 1u8e n ARG 358 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1u8e n PRO 359 N -0.11 2.69 -0.62 2.89 -0.04 -1.18 -4.25 135.00 134.38 1u8e n PRO 359 Ca 0.00 0.96 -0.30 0.00 -0.04 0.00 0.00 63.50 64.11 1u8e n PRO 359 Cb 0.00 -2.74 0.19 0.00 -0.04 0.00 0.00 33.50 30.91 1u8e n PRO 359 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1u8e n SER 360 N 2.22 -0.81 -4.77 3.54 3.41 -1.26 -4.91 113.62 111.04 1u8e n SER 360 Ca 0.09 0.19 -0.39 0.00 -0.26 0.00 0.00 58.87 58.49 1u8e n SER 360 Cb 0.37 -1.34 -0.06 0.00 -0.26 0.00 0.00 64.21 62.92 1u8e n SER 360 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1u8e s GLU 361 N -4.35 4.41 0.34 4.33 2.12 -1.26 -4.95 118.70 119.33 1u8e s GLU 361 Ca 0.65 0.94 -0.18 0.00 0.36 0.00 0.00 54.97 56.75 1u8e s GLU 361 Cb -0.23 -3.31 -0.09 0.00 0.26 0.00 0.00 34.13 30.76 1u8e s GLU 361 CO 0.62 0.45 0.80 -1.25 -0.54 0.00 0.00 175.26 175.34 1u8e s PRO 362 N -0.57 4.13 -0.31 4.30 0.04 -1.26 -4.60 135.00 136.73 1u8e s PRO 362 Ca 0.34 0.85 0.03 0.00 0.04 0.00 0.00 61.00 62.26 1u8e s PRO 362 Cb -0.20 -2.45 0.08 0.00 0.04 0.00 0.00 34.50 31.97 1u8e s PRO 362 CO 0.22 0.15 -0.00 -1.01 0.04 0.00 0.00 177.00 176.39 1u8e s HIS 363 N -1.95 3.52 0.26 0.56 3.76 0.16 -4.95 115.29 116.66 1u8e s HIS 363 Ca 0.54 -2.60 -0.26 0.00 -0.15 0.00 0.00 55.06 52.59 1u8e s HIS 363 Cb -0.11 -2.51 -0.09 0.00 1.11 0.00 0.00 32.58 30.98 1u8e s HIS 363 CO 0.17 -0.91 0.87 -0.06 -0.85 0.00 0.00 174.74 173.96 1u8e s PHE 364 N 1.03 3.80 1.11 1.40 0.40 -1.26 -0.05 117.98 124.40 1u8e s PHE 364 Ca 0.02 1.72 -0.15 0.00 -0.60 0.00 0.00 56.93 57.92 1u8e s PHE 364 Cb -0.20 -2.86 0.24 0.00 0.51 0.00 0.00 43.02 40.72 1u8e s PHE 364 CO -0.06 0.35 1.09 0.95 0.70 0.00 0.00 175.22 178.24 1u8e s THR 365 N -1.41 1.83 0.21 0.64 -4.23 -0.40 -4.82 115.64 107.45 1u8e s THR 365 Ca 0.44 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.84 1u8e s THR 365 Cb -0.21 -2.43 0.16 0.00 1.34 0.00 0.00 72.50 71.36 1u8e s THR 365 CO 0.26 0.00 1.70 0.25 -0.54 0.00 0.00 174.62 176.28 1u8e h LEU 366 N -2.30 -0.07 -0.51 4.79 5.85 -1.93 0.35 115.31 121.50 1u8e h LEU 366 Ca -0.52 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1u8e h LEU 366 Cb 1.32 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.53 1u8e h LEU 366 CO 0.48 -0.02 0.00 -0.90 -0.34 0.00 0.00 178.44 177.66 1u8e n ASP 367 N -5.17 0.77 -1.23 1.25 5.68 -1.26 -4.90 116.55 111.69 1u8e n ASP 367 Ca 0.08 -1.53 -0.15 0.00 -0.50 0.00 0.00 54.79 52.69 1u8e n ASP 367 Cb 0.32 -0.04 -0.07 0.00 -1.14 0.00 0.00 41.12 40.19 1u8e n ASP 367 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1u8e n GLY 368 N 0.96 1.46 0.37 6.12 0.00 0.11 -4.81 105.19 109.40 1u8e n GLY 368 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1u8e n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u8e n ASN 369 N -1.11 1.43 -3.88 1.61 5.03 -1.26 -4.87 115.26 112.20 1u8e n ASN 369 Ca -0.15 -1.18 -0.10 0.00 0.87 0.00 0.00 54.58 54.02 1u8e n ASN 369 Cb 0.60 0.21 -0.05 0.00 -1.02 0.00 0.00 39.78 39.52 1u8e n ASN 369 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1u8e s SER 370 N -2.42 0.03 0.05 6.41 1.04 -1.26 -1.65 113.70 115.90 1u8e s SER 370 Ca 0.24 -1.01 -0.27 0.00 0.48 0.00 0.00 55.95 55.39 1u8e s SER 370 Cb 0.19 0.60 0.09 0.00 0.10 0.00 0.00 66.02 67.00 1u8e s SER 370 CO 0.50 -1.17 0.81 0.72 0.98 0.00 0.00 173.24 175.09 1u8e s PHE 371 N -3.85 -0.38 0.05 5.02 -0.12 0.34 -1.27 117.98 117.75 1u8e s PHE 371 Ca 0.24 0.21 0.07 0.00 -0.05 0.00 0.00 56.93 57.40 1u8e s PHE 371 Cb -0.01 0.55 -0.03 0.00 -0.63 0.00 0.00 43.02 42.91 1u8e s PHE 371 CO 0.10 -0.66 -0.18 0.71 -0.05 0.00 0.00 175.22 175.14 1u8e s TYR 372 N -3.31 2.54 -0.20 3.49 1.51 0.92 0.12 117.35 122.42 1u8e s TYR 372 Ca 0.04 -0.26 -0.27 0.00 -1.01 0.00 0.00 57.07 55.57 1u8e s TYR 372 Cb -0.01 -1.45 0.08 0.00 -0.11 0.00 0.00 41.96 40.47 1u8e s TYR 372 CO -0.09 0.26 0.79 -1.59 -1.11 0.00 0.00 175.55 173.81 1u8e s LYS 373 N -1.49 0.81 0.04 -0.62 -2.85 -0.95 0.40 119.74 115.08 1u8e s LYS 373 Ca 0.15 0.65 -0.30 0.00 -1.00 0.00 0.00 55.97 55.47 1u8e s LYS 373 Cb -0.10 0.39 -0.05 0.00 -2.06 0.00 0.00 37.83 36.01 1u8e s LYS 373 CO 0.05 -0.16 1.15 0.42 0.10 0.00 0.00 175.35 176.92 1u8e s ILE 374 N -0.19 4.22 0.17 3.79 1.01 -1.26 -1.66 121.20 127.28 1u8e s ILE 374 Ca -0.02 1.59 -0.05 0.00 0.00 0.00 0.00 60.65 62.17 1u8e s ILE 374 Cb -0.03 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 1u8e s ILE 374 CO 0.02 0.12 0.19 0.27 0.00 0.00 0.00 174.94 175.54 1u8e s ILE 375 N 1.10 0.06 -0.30 2.92 -4.36 -0.27 -4.51 121.20 115.84 1u8e s ILE 375 Ca 0.57 -1.69 -0.25 0.00 -0.26 0.00 0.00 60.65 59.02 1u8e s ILE 375 Cb -0.27 -2.08 0.00 0.00 1.25 0.00 0.00 42.46 41.36 1u8e s ILE 375 CO 0.29 -0.26 0.85 -0.55 0.24 0.00 0.00 174.94 175.51 1u8e s SER 376 N -3.04 6.74 1.14 4.36 0.15 -1.26 -1.20 113.70 120.59 1u8e s SER 376 Ca 0.24 0.79 -0.12 0.00 0.70 0.00 0.00 55.95 57.56 1u8e s SER 376 Cb 0.05 -2.44 0.18 0.00 -1.71 0.00 0.00 66.02 62.10 1u8e s SER 376 CO 0.04 -0.66 0.68 -3.20 1.20 0.00 0.00 173.24 171.31 1u8e n ASN 377 N 6.31 -1.52 0.20 5.45 5.15 0.43 -4.80 115.26 126.48 1u8e n ASN 377 Ca 0.06 -0.94 0.10 0.00 -0.60 0.00 0.00 54.58 53.20 1u8e n ASN 377 Cb 0.48 -0.62 0.65 0.00 -0.53 0.00 0.00 39.78 39.76 1u8e n ASN 377 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1u8e h GLU 378 N 0.00 0.01 -0.01 1.20 4.57 -1.96 -1.57 114.58 116.82 1u8e h GLU 378 Ca -0.25 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 1u8e h GLU 378 Cb 0.77 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1u8e h GLU 378 CO 0.17 0.00 -0.22 -1.91 -1.18 0.00 0.00 179.01 175.87 1u8e n GLU 379 N -4.51 0.68 -0.08 1.92 2.13 -1.26 -4.93 120.64 114.59 1u8e n GLU 379 Ca -0.00 -0.34 0.00 0.00 0.66 0.00 0.00 57.16 57.48 1u8e n GLU 379 Cb 0.20 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.41 1u8e n GLU 379 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1u8e n GLY 380 N 1.34 0.51 3.84 8.31 0.00 -0.59 -4.69 105.19 113.91 1u8e n GLY 380 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1u8e n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u8e s TYR 381 N -2.18 3.68 -0.20 1.61 1.51 -1.26 0.07 117.35 120.58 1u8e s TYR 381 Ca 0.00 1.03 -0.25 0.00 -1.01 0.00 0.00 57.07 56.84 1u8e s TYR 381 Cb 0.00 -2.33 -0.01 0.00 -0.11 0.00 0.00 41.96 39.51 1u8e s TYR 381 CO 0.00 0.54 0.82 1.03 -1.11 0.00 0.00 175.55 176.83 1u8e s ARG 382 N -1.53 4.24 0.22 -0.62 0.52 -1.26 -0.43 118.95 120.09 1u8e s ARG 382 Ca 0.31 0.96 -0.00 0.00 -0.52 0.00 0.00 55.73 56.47 1u8e s ARG 382 Cb -0.16 -3.60 -0.04 0.00 0.52 0.00 0.00 34.95 31.66 1u8e s ARG 382 CO 0.17 -0.40 0.13 -1.01 0.02 0.00 0.00 175.30 174.21 1u8e s HIS 383 N 2.43 1.25 -0.08 -0.53 3.76 -0.34 -1.52 115.29 120.26 1u8e s HIS 383 Ca 0.36 -1.36 -0.26 0.00 -0.15 0.00 0.00 55.06 53.65 1u8e s HIS 383 Cb -0.16 -0.62 -0.03 0.00 1.11 0.00 0.00 32.58 32.88 1u8e s HIS 383 CO 0.10 -0.60 0.82 0.42 -0.85 0.00 0.00 174.74 174.62 1u8e s ILE 384 N -4.06 4.95 -0.07 0.60 1.01 -1.26 -1.11 121.20 121.26 1u8e s ILE 384 Ca 0.39 1.67 0.04 0.00 0.00 0.00 0.00 60.65 62.75 1u8e s ILE 384 Cb 0.07 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 1u8e s ILE 384 CO 0.13 0.16 -0.19 0.00 0.00 0.00 0.00 174.94 175.04 1u8e s TYR 386 N -0.30 3.31 0.11 0.00 5.04 0.17 -2.23 117.35 123.44 1u8e s TYR 386 Ca 0.01 0.60 0.09 0.00 -2.44 0.00 0.00 57.07 55.33 1u8e s TYR 386 Cb -0.13 -2.61 -0.04 0.00 0.35 0.00 0.00 41.96 39.53 1u8e s TYR 386 CO 0.03 -0.15 -0.18 -0.06 -1.34 0.00 0.00 175.55 173.84 1u8e s PHE 387 N 1.83 2.53 -0.20 4.97 0.40 0.12 -0.96 117.98 126.67 1u8e s PHE 387 Ca 0.19 -0.27 -0.02 0.00 -0.60 0.00 0.00 56.93 56.24 1u8e s PHE 387 Cb -0.15 -1.35 -0.00 0.00 0.51 0.00 0.00 43.02 42.02 1u8e s PHE 387 CO 0.09 0.37 -0.10 -0.65 0.70 0.00 0.00 175.22 175.64 1u8e s GLN 388 N -2.08 3.27 0.65 0.44 1.11 -1.26 -0.51 119.66 121.28 1u8e s GLN 388 Ca 0.17 -0.69 0.08 0.00 0.01 0.00 0.00 55.36 54.94 1u8e s GLN 388 Cb -0.11 -2.85 0.35 0.00 -1.01 0.00 0.00 33.01 29.40 1u8e s GLN 388 CO 0.10 -0.16 1.16 -0.84 0.01 0.00 0.00 175.29 175.56 1u8e h ILE 389 N 5.74 0.01 0.00 1.08 3.07 -1.65 0.13 117.51 125.89 1u8e h ILE 389 Ca -0.41 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 65.99 1u8e h ILE 389 Cb 1.16 0.07 -0.02 0.00 -0.27 0.00 0.00 36.82 37.76 1u8e h ILE 389 CO 0.61 0.00 -0.25 -0.90 -1.05 0.00 0.00 178.15 176.56 1u8e n ASP 390 N -2.70 1.82 -4.47 2.16 5.68 -1.26 -4.43 116.55 113.35 1u8e n ASP 390 Ca 0.04 -3.11 -0.33 0.00 -0.50 0.00 0.00 54.79 50.89 1u8e n ASP 390 Cb 1.04 -0.42 -0.13 0.00 -1.14 0.00 0.00 41.12 40.47 1u8e n ASP 390 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1u8e s LYS 391 N -2.46 2.62 -0.05 0.11 3.01 0.46 -4.93 119.74 118.51 1u8e s LYS 391 Ca 0.30 -0.68 -0.22 0.00 -1.01 0.00 0.00 55.97 54.36 1u8e s LYS 391 Cb 0.28 -2.43 -0.16 0.00 -1.01 0.00 0.00 37.83 34.51 1u8e s LYS 391 CO -0.01 0.58 0.91 1.57 0.51 0.00 0.00 175.35 178.91 1u8e h LYS 392 N 5.49 -0.22 -6.24 1.68 2.10 -1.89 -3.42 116.57 114.07 1u8e h LYS 392 Ca -0.44 0.01 -0.57 0.00 -2.00 0.00 0.00 60.65 57.65 1u8e h LYS 392 Cb 1.16 0.05 -0.04 0.00 -0.90 0.00 0.00 32.23 32.50 1u8e h LYS 392 CO 0.51 0.21 -0.15 0.34 -2.00 0.00 0.00 179.45 178.36 1u8e s ASP 393 N -5.45 6.73 0.54 7.07 -1.08 -1.26 -4.99 116.67 118.23 1u8e s ASP 393 Ca -0.13 0.94 0.07 0.00 -0.52 0.00 0.00 52.55 52.92 1u8e s ASP 393 Cb 0.01 -2.24 0.05 0.00 -1.46 0.00 0.00 42.92 39.28 1u8e s ASP 393 CO 0.49 0.12 0.56 0.00 0.52 0.00 0.00 175.17 176.86 1u8e s THR 395 N -2.68 1.64 0.01 0.00 2.01 -0.13 -4.85 115.64 111.63 1u8e s THR 395 Ca 0.47 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.48 1u8e s THR 395 Cb -0.04 -1.52 -0.06 0.00 0.01 0.00 0.00 72.50 70.90 1u8e s THR 395 CO 0.29 0.47 1.39 -0.36 -0.69 0.00 0.00 174.62 175.72 1u8e s PHE 396 N 1.34 2.91 -2.70 4.92 0.08 -1.26 0.41 117.98 123.68 1u8e s PHE 396 Ca 0.02 0.86 0.23 0.00 0.12 0.00 0.00 56.93 58.16 1u8e s PHE 396 Cb -0.13 -3.65 0.25 0.00 -0.57 0.00 0.00 43.02 38.92 1u8e s PHE 396 CO -0.09 -2.36 1.27 0.44 -0.10 0.00 0.00 175.22 174.39 1u8e n ILE 397 N 4.59 0.16 -4.02 0.64 -5.35 -0.03 -4.94 119.36 110.42 1u8e n ILE 397 Ca 0.13 -0.58 -0.08 0.00 -0.27 0.00 0.00 62.75 61.95 1u8e n ILE 397 Cb 0.44 1.32 -0.09 0.00 -1.74 0.00 0.00 39.64 39.56 1u8e n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1u8e s THR 398 N -1.76 0.19 -0.01 7.28 -4.23 -1.25 -4.93 115.64 110.93 1u8e s THR 398 Ca 0.30 -1.55 -0.29 0.00 -1.18 0.00 0.00 61.69 58.97 1u8e s THR 398 Cb 0.20 -1.35 0.10 0.00 1.34 0.00 0.00 72.50 72.80 1u8e s THR 398 CO 0.29 -0.85 1.00 -1.59 -0.54 0.00 0.00 174.62 172.93 1u8e s LYS 399 N -3.64 0.76 0.00 3.99 -2.85 -1.26 -4.63 119.74 112.12 1u8e s LYS 399 Ca 0.04 -0.33 0.00 0.00 -1.00 0.00 0.00 55.97 54.68 1u8e s LYS 399 Cb 0.05 0.32 0.00 0.00 -2.06 0.00 0.00 37.83 36.14 1u8e s LYS 399 CO -0.09 -0.34 0.00 0.41 0.10 0.00 0.00 175.35 175.43 1u8e n GLY 400 N -0.28 2.79 2.82 0.59 0.00 -1.26 -4.91 105.19 104.94 1u8e n GLY 400 Ca -0.06 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 1u8e n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1u8e n THR 401 N -1.59 4.00 -3.83 2.61 -2.24 -1.26 -4.76 114.28 107.21 1u8e n THR 401 Ca 0.00 -3.86 -0.03 0.00 -2.27 0.00 0.00 64.05 57.89 1u8e n THR 401 Cb 0.00 -2.45 0.01 0.00 -2.10 0.00 0.00 70.33 65.78 1u8e n THR 401 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1u8e s TRP 402 N 1.50 0.00 0.06 4.78 1.48 -1.26 -5.03 118.94 120.46 1u8e s TRP 402 Ca 0.43 -0.34 0.01 0.00 -1.06 0.00 0.00 56.10 55.13 1u8e s TRP 402 Cb 0.11 0.67 -0.03 0.00 -1.16 0.00 0.00 33.47 33.06 1u8e s TRP 402 CO -0.03 -0.83 -0.05 -1.21 -4.06 0.00 0.00 176.95 170.77 1u8e s GLU 403 N -2.53 0.59 -0.20 3.25 2.02 -1.26 -4.53 118.70 116.05 1u8e s GLU 403 Ca 0.18 -1.03 -0.22 0.00 0.02 0.00 0.00 54.97 53.92 1u8e s GLU 403 Cb -0.02 -0.04 -0.02 0.00 0.10 0.00 0.00 34.13 34.16 1u8e s GLU 403 CO 0.04 -0.04 0.70 0.08 0.02 0.00 0.00 175.26 176.05 1u8e s VAL 404 N -2.79 4.97 0.05 2.63 1.01 -0.58 -2.48 120.40 123.21 1u8e s VAL 404 Ca 0.00 1.32 -0.16 0.00 0.00 0.00 0.00 61.98 63.14 1u8e s VAL 404 Cb -0.00 -4.00 -0.24 0.00 0.00 0.00 0.00 36.38 32.13 1u8e s VAL 404 CO -0.04 0.07 1.14 0.40 0.00 0.00 0.00 175.10 176.66 1u8e h ILE 405 N 5.23 1.33 -1.38 2.22 1.08 -0.38 -3.45 117.51 122.15 1u8e h ILE 405 Ca -0.30 -2.22 0.20 0.00 -0.39 0.00 0.00 64.86 62.15 1u8e h ILE 405 Cb 1.13 2.51 -0.23 0.00 -3.07 0.00 0.00 36.82 37.17 1u8e h ILE 405 CO 0.80 0.67 0.78 -0.83 -0.69 0.00 0.00 178.15 178.88 1u8e s GLY 406 N -4.25 -0.17 -0.25 5.37 0.00 -1.15 -4.99 107.32 101.87 1u8e s GLY 406 Ca -0.11 2.10 -0.18 0.00 0.00 0.00 0.00 44.72 46.52 1u8e s GLY 406 CO 0.89 0.84 0.54 -0.42 0.00 0.00 0.00 173.10 174.95 1u8e s ILE 407 N -1.66 5.05 -0.13 0.90 1.01 -1.26 -1.28 121.20 123.84 1u8e s ILE 407 Ca 0.06 0.94 0.18 0.00 0.00 0.00 0.00 60.65 61.84 1u8e s ILE 407 Cb -0.01 -3.85 -0.24 0.00 0.01 0.00 0.00 42.46 38.37 1u8e s ILE 407 CO -0.04 0.08 0.42 -0.62 0.00 0.00 0.00 174.94 174.77 1u8e n GLU 408 N 5.52 0.66 -3.53 2.79 -0.58 0.73 -4.98 120.64 121.25 1u8e n GLU 408 Ca -0.03 0.03 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 1u8e n GLU 408 Cb 0.50 -1.62 -0.05 0.00 -0.57 0.00 0.00 31.44 29.70 1u8e n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1u8e s ALA 409 N -2.86 -1.83 -0.04 0.62 0.00 -0.98 -4.81 121.76 111.86 1u8e s ALA 409 Ca -0.07 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1u8e s ALA 409 Cb 0.09 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.10 1u8e s ALA 409 CO 0.84 -0.44 -0.01 -1.17 0.00 0.00 0.00 175.76 174.99 1u8e s LEU 410 N -1.52 1.15 0.28 0.00 2.96 -1.26 0.01 118.68 120.30 1u8e s LEU 410 Ca -0.03 -0.06 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 1u8e s LEU 410 Cb -0.00 -0.30 -0.06 0.00 0.50 0.00 0.00 46.19 46.33 1u8e s LEU 410 CO 0.01 -0.10 0.02 0.42 -1.32 0.00 0.00 176.35 175.39 1u8e s THR 411 N 1.08 1.18 0.50 3.68 -4.23 0.13 -4.97 115.64 113.01 1u8e s THR 411 Ca -0.09 -2.03 0.25 0.00 -1.18 0.00 0.00 61.69 58.64 1u8e s THR 411 Cb -0.14 -2.58 0.30 0.00 1.34 0.00 0.00 72.50 71.42 1u8e s THR 411 CO -0.01 -0.16 2.14 0.77 -0.54 0.00 0.00 174.62 176.81 1u8e h SER 412 N 2.28 0.00 0.04 3.99 4.64 -2.01 -3.05 113.55 119.44 1u8e h SER 412 Ca -0.40 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.76 1u8e h SER 412 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1u8e h SER 412 CO 0.67 0.07 -0.87 -0.78 -0.87 0.00 0.00 176.83 175.05 1u8e h ASP 413 N 0.00 0.12 -5.33 4.97 1.82 -1.98 -3.46 116.42 112.57 1u8e h ASP 413 Ca -0.00 -0.78 -0.18 0.00 -0.39 0.00 0.00 57.03 55.68 1u8e h ASP 413 Cb 0.17 -0.04 -0.15 0.00 0.68 0.00 0.00 39.33 39.99 1u8e h ASP 413 CO 0.01 1.36 -0.66 -0.31 -1.61 0.00 0.00 179.24 178.04 1u8e s TYR 414 N -2.35 0.82 -0.22 0.28 1.51 -1.15 -2.23 117.35 114.01 1u8e s TYR 414 Ca -0.22 -1.19 0.00 0.00 -1.01 0.00 0.00 57.07 54.65 1u8e s TYR 414 Cb 0.02 -0.48 0.03 0.00 -0.11 0.00 0.00 41.96 41.42 1u8e s TYR 414 CO 0.68 -0.47 -0.12 -1.17 -1.11 0.00 0.00 175.55 173.36 1u8e s LEU 415 N -3.03 2.79 -0.20 -1.29 1.98 -0.99 0.22 118.68 118.16 1u8e s LEU 415 Ca 0.21 -0.85 -0.11 0.00 -2.89 0.00 0.00 54.13 50.48 1u8e s LEU 415 Cb 0.07 -1.57 -0.05 0.00 0.66 0.00 0.00 46.19 45.30 1u8e s LEU 415 CO -0.00 -0.08 0.19 -0.31 -1.89 0.00 0.00 176.35 174.26 1u8e s TYR 416 N 1.28 3.40 0.13 5.38 1.51 0.10 -1.38 117.35 127.76 1u8e s TYR 416 Ca 0.01 0.39 -0.05 0.00 -1.01 0.00 0.00 57.07 56.41 1u8e s TYR 416 Cb -0.16 -2.25 -0.02 0.00 -0.11 0.00 0.00 41.96 39.41 1u8e s TYR 416 CO -0.08 0.20 0.14 1.52 -1.11 0.00 0.00 175.55 176.23 1u8e s TYR 417 N 0.62 0.56 -0.07 2.71 -0.85 -0.52 -0.19 117.35 119.61 1u8e s TYR 417 Ca 0.11 -0.96 0.01 0.00 -0.52 0.00 0.00 57.07 55.71 1u8e s TYR 417 Cb -0.12 -0.27 -0.03 0.00 0.38 0.00 0.00 41.96 41.92 1u8e s TYR 417 CO 0.02 -0.58 -0.10 0.42 -1.52 0.00 0.00 175.55 173.79 1u8e s ILE 418 N -3.98 3.45 0.26 -3.49 1.01 -0.40 0.08 121.20 118.13 1u8e s ILE 418 Ca 0.17 -0.57 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 1u8e s ILE 418 Cb 0.06 -2.40 -0.00 0.00 0.01 0.00 0.00 42.46 40.13 1u8e s ILE 418 CO -0.02 0.58 0.47 -0.94 0.00 0.00 0.00 174.94 175.04 1u8e s SER 419 N -0.63 0.06 -0.31 3.58 1.04 -0.84 0.41 113.70 117.02 1u8e s SER 419 Ca 0.09 -1.04 0.09 0.00 0.48 0.00 0.00 55.95 55.57 1u8e s SER 419 Cb -0.11 0.60 0.54 0.00 0.10 0.00 0.00 66.02 67.15 1u8e s SER 419 CO 0.02 -1.17 1.55 -0.46 0.98 0.00 0.00 173.24 174.16 1u8e n ASN 420 N -0.56 2.90 -0.18 7.02 0.23 -1.04 -1.66 115.26 121.98 1u8e n ASN 420 Ca -0.01 -3.66 -0.10 0.00 -0.53 0.00 0.00 54.58 50.28 1u8e n ASN 420 Cb 0.62 -0.67 0.01 0.00 -2.08 0.00 0.00 39.78 37.66 1u8e n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1u8e h GLU 421 N 1.14 0.88 -6.18 -3.83 4.81 -1.84 -3.31 114.58 106.25 1u8e h GLU 421 Ca 0.27 -0.27 -0.72 0.00 -0.13 0.00 0.00 59.36 58.51 1u8e h GLU 421 Cb 1.86 -0.09 0.03 0.00 0.63 0.00 0.00 28.75 31.19 1u8e h GLU 421 CO 0.50 0.90 0.76 0.98 -0.73 0.00 0.00 179.01 181.42 1u8e n TYR 422 N -4.33 1.88 -1.12 0.92 9.36 -1.26 -0.72 117.16 121.88 1u8e n TYR 422 Ca 0.01 0.58 -0.07 0.00 3.32 0.00 0.00 57.90 61.73 1u8e n TYR 422 Cb 0.30 -2.42 -0.03 0.00 -0.63 0.00 0.00 39.34 36.57 1u8e n TYR 422 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1u8e n LYS 423 N 4.48 -1.74 -2.34 2.98 5.02 -1.26 -2.08 118.16 123.21 1u8e n LYS 423 Ca 0.24 0.68 -0.20 0.00 -2.02 0.00 0.00 58.31 57.00 1u8e n LYS 423 Cb 0.15 -4.91 -0.01 0.00 -0.02 0.00 0.00 35.03 30.23 1u8e n LYS 423 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u8e n GLY 424 N 0.35 -0.34 3.38 0.72 0.00 0.10 -4.95 105.19 104.45 1u8e n GLY 424 Ca -0.07 -0.03 -0.45 0.00 0.00 0.00 0.00 46.02 45.47 1u8e n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1u8e s MET 425 N -4.94 3.02 0.63 1.61 -1.94 -0.89 -4.92 119.30 111.87 1u8e s MET 425 Ca 0.00 -1.34 0.37 0.00 -1.71 0.00 0.00 55.69 53.01 1u8e s MET 425 Cb 0.00 -4.18 2.13 0.00 2.01 0.00 0.00 34.83 34.79 1u8e s MET 425 CO 0.00 -1.20 2.31 -1.00 -0.01 0.00 0.00 175.02 175.12 1u8e h PRO 426 N 8.88 0.00 -0.28 2.03 0.13 -1.89 -1.25 132.00 139.62 1u8e h PRO 426 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1u8e h PRO 426 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1u8e h PRO 426 CO 0.96 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.14 1u8e n GLY 427 N -1.20 0.66 3.76 1.56 0.00 -1.26 -4.87 105.19 103.85 1u8e n GLY 427 Ca -0.03 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 1u8e n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u8e s GLY 428 N -1.35 1.56 -0.03 -0.02 0.00 -0.47 -2.47 107.32 104.54 1u8e s GLY 428 Ca 0.31 -1.41 -0.01 0.00 0.00 0.00 0.00 44.72 43.61 1u8e s GLY 428 CO 0.24 -1.44 0.04 0.50 0.00 0.00 0.00 173.10 172.44 1u8e s ARG 429 N -3.52 -0.03 0.04 2.90 1.81 0.54 -4.09 118.95 116.60 1u8e s ARG 429 Ca 0.31 0.27 0.03 0.00 -1.72 0.00 0.00 55.73 54.63 1u8e s ARG 429 Cb -0.08 -0.39 -0.02 0.00 -0.45 0.00 0.00 34.95 34.01 1u8e s ARG 429 CO 0.23 -0.24 -0.10 -0.80 -0.68 0.00 0.00 175.30 173.70 1u8e s ASN 430 N 1.59 1.19 -0.03 0.23 0.01 -0.66 -0.32 114.94 116.95 1u8e s ASN 430 Ca -0.02 -0.49 -0.27 0.00 -0.71 0.00 0.00 52.86 51.37 1u8e s ASN 430 Cb -0.13 -0.03 -0.03 0.00 0.41 0.00 0.00 41.25 41.47 1u8e s ASN 430 CO -0.03 -0.09 0.83 -0.22 -1.51 0.00 0.00 177.10 176.08 1u8e s LEU 431 N -1.35 4.35 0.34 0.60 2.96 -1.26 -1.99 118.68 122.33 1u8e s LEU 431 Ca -0.04 1.43 0.05 0.00 -0.22 0.00 0.00 54.13 55.34 1u8e s LEU 431 Cb -0.09 -3.32 -0.07 0.00 0.50 0.00 0.00 46.19 43.22 1u8e s LEU 431 CO 0.01 -0.17 0.04 -0.31 -1.32 0.00 0.00 176.35 174.59 1u8e s TYR 432 N 0.83 2.10 -0.07 5.38 1.51 0.11 -0.38 117.35 126.83 1u8e s TYR 432 Ca 0.44 -0.87 -0.04 0.00 -1.01 0.00 0.00 57.07 55.59 1u8e s TYR 432 Cb -0.19 -1.39 0.03 0.00 -0.11 0.00 0.00 41.96 40.30 1u8e s TYR 432 CO 0.23 0.14 0.17 -1.59 -1.11 0.00 0.00 175.55 173.39 1u8e s LYS 433 N -3.83 0.15 -0.10 -0.62 -2.85 -0.46 -1.43 119.74 110.59 1u8e s LYS 433 Ca 0.36 0.34 0.02 0.00 -1.00 0.00 0.00 55.97 55.69 1u8e s LYS 433 Cb 0.09 -0.07 -0.01 0.00 -2.06 0.00 0.00 37.83 35.78 1u8e s LYS 433 CO 0.16 -0.11 -0.17 -1.50 0.10 0.00 0.00 175.35 173.82 1u8e s ILE 434 N 0.77 2.69 -0.29 3.79 2.07 -0.48 -0.67 121.20 129.08 1u8e s ILE 434 Ca -0.06 -0.81 -0.29 0.00 -1.41 0.00 0.00 60.65 58.09 1u8e s ILE 434 Cb -0.07 -2.08 -0.01 0.00 0.13 0.00 0.00 42.46 40.42 1u8e s ILE 434 CO -0.04 0.55 1.56 -1.58 -1.91 0.00 0.00 174.94 173.52 1u8e s GLN 435 N 0.10 3.68 0.50 3.50 0.74 -0.58 -2.35 119.66 125.26 1u8e s GLN 435 Ca -0.08 1.41 0.31 0.00 0.05 0.00 0.00 55.36 57.05 1u8e s GLN 435 Cb -0.15 -4.04 1.69 0.00 1.10 0.00 0.00 33.01 31.61 1u8e s GLN 435 CO 0.05 -1.42 1.95 -0.07 -0.55 0.00 0.00 175.29 175.24 1u8e h LEU 436 N 12.03 0.00 0.00 3.68 4.07 -1.76 -0.62 115.31 132.71 1u8e h LEU 436 Ca -0.31 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.62 1u8e h LEU 436 Cb 1.14 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.87 1u8e h LEU 436 CO 1.03 0.00 -1.13 -1.20 -1.08 0.00 0.00 178.44 176.06 1u8e n SER 437 N -2.64 0.80 -3.25 -0.43 7.64 -1.26 -4.76 113.62 109.73 1u8e n SER 437 Ca -0.02 0.32 -0.04 0.00 1.01 0.00 0.00 58.87 60.14 1u8e n SER 437 Cb 0.11 0.49 -0.03 0.00 -1.01 0.00 0.00 64.21 63.77 1u8e n SER 437 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1u8e s ASP 438 N -5.38 -0.68 0.31 6.43 2.15 -0.25 -5.00 116.67 114.25 1u8e s ASP 438 Ca -0.01 -0.77 0.12 0.00 0.43 0.00 0.00 52.55 52.32 1u8e s ASP 438 Cb 0.10 1.54 0.66 0.00 -0.30 0.00 0.00 42.92 44.92 1u8e s ASP 438 CO 0.80 -0.23 1.26 -1.22 -0.17 0.00 0.00 175.17 175.61 1u8e n TYR 439 N 4.65 0.41 0.53 -5.34 4.01 -1.18 0.20 117.16 120.44 1u8e n TYR 439 Ca 0.09 0.22 0.12 0.00 -0.16 0.00 0.00 57.90 58.17 1u8e n TYR 439 Cb 0.53 -0.64 0.45 0.00 -0.31 0.00 0.00 39.34 39.37 1u8e n TYR 439 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1u8e n THR 440 N -2.01 0.69 -3.48 -0.72 5.66 -1.26 -4.34 114.28 108.82 1u8e n THR 440 Ca -0.01 -0.04 -0.42 0.00 -3.05 0.00 0.00 64.05 60.53 1u8e n THR 440 Cb 0.32 -0.85 -0.04 0.00 -1.55 0.00 0.00 70.33 68.22 1u8e n THR 440 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1u8e s LYS 441 N -3.19 3.46 -0.13 1.09 1.02 0.13 -5.02 119.74 117.10 1u8e s LYS 441 Ca 0.08 -2.81 -0.01 0.00 0.02 0.00 0.00 55.97 53.24 1u8e s LYS 441 Cb 0.11 -4.22 -0.02 0.00 -0.52 0.00 0.00 37.83 33.18 1u8e s LYS 441 CO 0.50 -1.25 -0.09 0.54 -0.92 0.00 0.00 175.35 174.13 1u8e s VAL 442 N -0.51 3.48 -0.09 3.17 0.11 -1.26 -1.52 120.40 123.77 1u8e s VAL 442 Ca 0.22 -0.52 0.04 0.00 -2.93 0.00 0.00 61.98 58.80 1u8e s VAL 442 Cb -0.12 -2.48 -0.00 0.00 -1.53 0.00 0.00 36.38 32.25 1u8e s VAL 442 CO -0.08 0.53 -0.23 -0.89 -3.33 0.00 0.00 175.10 171.09 1u8e s THR 443 N 0.12 2.14 -0.23 5.04 2.01 0.15 -4.96 115.64 119.91 1u8e s THR 443 Ca -0.04 -1.00 -0.24 0.00 0.31 0.00 0.00 61.69 60.72 1u8e s THR 443 Cb -0.14 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.55 1u8e s THR 443 CO 0.04 0.56 0.80 0.00 -0.69 0.00 0.00 174.62 175.32 1u8e h LEU 445 N 8.96 0.00 0.00 0.00 3.38 -1.05 -3.41 115.31 123.20 1u8e h LEU 445 Ca -0.25 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1u8e h LEU 445 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1u8e h LEU 445 CO 0.85 0.05 -0.86 -1.54 0.09 0.00 0.00 178.44 177.03 1u8e n SER 446 N -2.43 4.29 -0.32 -0.43 3.41 -1.20 -4.74 113.62 112.19 1u8e n SER 446 Ca 0.03 0.00 0.21 0.00 -0.26 0.00 0.00 58.87 58.85 1u8e n SER 446 Cb 0.48 0.85 0.43 0.00 -0.26 0.00 0.00 64.21 65.71 1u8e n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u8e n GLU 448 N -5.19 1.43 -0.24 0.00 4.71 -1.26 -4.15 120.64 115.94 1u8e n GLU 448 Ca 0.29 -1.04 0.05 0.00 -0.01 0.00 0.00 57.16 56.44 1u8e n GLU 448 Cb 0.94 -1.42 0.17 0.00 -1.01 0.00 0.00 31.44 30.12 1u8e n GLU 448 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1u8e h LEU 449 N 2.49 0.07 -5.00 -4.62 3.38 -1.72 -3.38 115.31 106.53 1u8e h LEU 449 Ca 0.00 0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 1u8e h LEU 449 Cb 0.72 0.17 -0.15 0.00 0.09 0.00 0.00 40.66 41.49 1u8e h LEU 449 CO 0.00 0.00 -0.31 -3.20 0.09 0.00 0.00 178.44 175.02 1u8e n ASN 450 N -5.12 -2.43 -0.23 -0.43 2.85 -1.26 -5.06 115.26 103.58 1u8e n ASN 450 Ca 0.13 -2.10 0.04 0.00 -0.11 0.00 0.00 54.58 52.54 1u8e n ASN 450 Cb 0.42 1.28 0.16 0.00 1.24 0.00 0.00 39.78 42.88 1u8e n ASN 450 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1u8e h PRO 451 N 4.40 0.31 -0.04 1.20 0.13 -1.75 0.66 132.00 136.90 1u8e h PRO 451 Ca -0.02 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.10 1u8e h PRO 451 Cb 1.13 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1u8e h PRO 451 CO -0.02 0.20 -0.01 0.93 -0.23 0.00 0.00 178.00 178.87 1u8e h GLU 452 N 0.32 -0.00 0.00 0.86 4.39 -1.97 -3.25 114.58 114.93 1u8e h GLU 452 Ca 0.38 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.84 1u8e h GLU 452 Cb 0.60 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 1u8e h GLU 452 CO -0.44 -0.00 -1.30 -0.09 -1.16 0.00 0.00 179.01 176.02 1u8e h ARG 453 N -0.00 0.00 -4.46 2.33 2.43 -1.85 -3.42 114.38 109.40 1u8e h ARG 453 Ca 0.02 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.59 1u8e h ARG 453 Cb 0.03 0.00 -0.37 0.00 -0.42 0.00 0.00 29.97 29.21 1u8e h ARG 453 CO -0.05 0.75 -0.80 0.00 -1.51 0.00 0.00 179.97 178.37 1u8e n GLN 455 N 4.71 1.02 -3.45 0.00 6.02 0.10 -4.37 117.38 121.41 1u8e n GLN 455 Ca -0.14 -0.98 -0.17 0.00 -0.01 0.00 0.00 57.00 55.70 1u8e n GLN 455 Cb 0.46 -0.71 -0.12 0.00 1.02 0.00 0.00 30.24 30.89 1u8e n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1u8e s TYR 456 N -0.48 -0.38 0.20 1.08 6.14 -1.16 -0.34 117.35 122.42 1u8e s TYR 456 Ca 0.02 0.21 0.10 0.00 0.64 0.00 0.00 57.07 58.04 1u8e s TYR 456 Cb 0.02 -0.34 -0.04 0.00 0.42 0.00 0.00 41.96 42.01 1u8e s TYR 456 CO 0.00 -0.69 -0.20 0.71 0.64 0.00 0.00 175.55 176.02 1u8e s TYR 457 N 2.36 2.03 0.09 4.97 1.51 0.56 -0.62 117.35 128.24 1u8e s TYR 457 Ca 0.08 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 55.73 1u8e s TYR 457 Cb -0.15 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.69 1u8e s TYR 457 CO -0.17 0.46 -0.06 -1.54 -1.11 0.00 0.00 175.55 173.13 1u8e s SER 458 N -2.93 1.04 0.07 2.29 1.04 -0.93 -4.64 113.70 109.64 1u8e s SER 458 Ca 0.21 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1u8e s SER 458 Cb -0.05 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 1u8e s SER 458 CO 0.09 -0.47 -0.05 0.54 0.98 0.00 0.00 173.24 174.34 1u8e s VAL 459 N -3.52 0.43 -0.28 5.02 0.11 -1.26 -1.00 120.40 119.89 1u8e s VAL 459 Ca 0.10 -1.72 -0.03 0.00 -2.93 0.00 0.00 61.98 57.40 1u8e s VAL 459 Cb 0.05 -1.40 0.10 0.00 -1.53 0.00 0.00 36.38 33.60 1u8e s VAL 459 CO -0.05 -0.85 0.12 -0.55 -3.33 0.00 0.00 175.10 170.43 1u8e s SER 460 N -2.72 3.54 0.51 3.54 0.15 -0.80 -4.97 113.70 112.94 1u8e s SER 460 Ca 0.05 -1.30 -0.12 0.00 0.70 0.00 0.00 55.95 55.28 1u8e s SER 460 Cb 0.04 -0.46 -0.06 0.00 -1.71 0.00 0.00 66.02 63.82 1u8e s SER 460 CO -0.06 -0.42 0.92 -0.36 1.20 0.00 0.00 173.24 174.52 1u8e s PHE 461 N 1.99 3.51 0.94 3.44 0.40 -1.26 -1.55 117.98 125.45 1u8e s PHE 461 Ca 0.08 1.25 -0.13 0.00 -0.60 0.00 0.00 56.93 57.53 1u8e s PHE 461 Cb -0.16 -2.63 0.16 0.00 0.51 0.00 0.00 43.02 40.89 1u8e s PHE 461 CO -0.31 -0.38 1.16 -1.54 0.70 0.00 0.00 175.22 174.85 1u8e s SER 462 N -3.48 3.23 0.22 1.36 1.04 0.95 -4.85 113.70 112.16 1u8e s SER 462 Ca 0.55 0.83 -0.19 0.00 0.48 0.00 0.00 55.95 57.62 1u8e s SER 462 Cb -0.10 -1.31 0.20 0.00 0.10 0.00 0.00 66.02 64.91 1u8e s SER 462 CO 0.38 -2.71 1.56 0.11 0.98 0.00 0.00 173.24 173.56 1u8e h LYS 463 N -1.61 -0.03 -0.56 4.02 1.79 -1.81 -0.41 116.57 117.96 1u8e h LYS 463 Ca -0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1u8e h LYS 463 Cb 1.32 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 1u8e h LYS 463 CO 0.56 -0.02 0.00 0.39 -1.08 0.00 0.00 179.45 179.30 1u8e n GLU 464 N -5.46 3.77 -2.37 3.15 -0.58 -1.26 -4.94 120.64 112.95 1u8e n GLU 464 Ca 0.09 -2.87 -0.12 0.00 -0.42 0.00 0.00 57.16 53.83 1u8e n GLU 464 Cb 0.39 -1.90 0.00 0.00 -0.57 0.00 0.00 31.44 29.36 1u8e n GLU 464 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1u8e n ALA 465 N 0.76 -0.42 0.07 0.62 0.00 -0.16 -4.92 120.51 116.45 1u8e n ALA 465 Ca 0.24 0.12 -0.19 0.00 0.00 0.00 0.00 53.44 53.61 1u8e n ALA 465 Cb 0.91 -1.78 -0.10 0.00 0.00 0.00 0.00 19.45 18.48 1u8e n ALA 465 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1u8e h LYS 466 N -0.23 0.59 -5.57 0.00 3.64 -1.80 -3.42 116.57 109.77 1u8e h LYS 466 Ca -0.30 -0.70 -0.45 0.00 -1.27 0.00 0.00 60.65 57.93 1u8e h LYS 466 Cb 1.21 0.22 -0.20 0.00 -0.41 0.00 0.00 32.23 33.05 1u8e h LYS 466 CO 0.34 1.29 -0.78 0.71 -2.27 0.00 0.00 179.45 178.74 1u8e s TYR 467 N -3.15 1.46 -0.01 1.91 2.02 -1.26 -0.30 117.35 118.02 1u8e s TYR 467 Ca -0.08 -0.50 -0.04 0.00 -0.37 0.00 0.00 57.07 56.07 1u8e s TYR 467 Cb 0.07 -0.78 -0.00 0.00 -0.40 0.00 0.00 41.96 40.85 1u8e s TYR 467 CO 0.91 0.15 0.09 1.52 -1.57 0.00 0.00 175.55 176.65 1u8e s TYR 468 N -1.74 0.04 -0.23 2.71 1.13 -0.67 -0.04 117.35 118.54 1u8e s TYR 468 Ca 0.06 -0.08 -0.07 0.00 -1.41 0.00 0.00 57.07 55.58 1u8e s TYR 468 Cb -0.07 -0.05 -0.03 0.00 -1.10 0.00 0.00 41.96 40.71 1u8e s TYR 468 CO 0.03 -0.18 0.06 -1.14 -2.51 0.00 0.00 175.55 171.81 1u8e s GLN 469 N -0.89 3.68 0.13 -3.49 0.74 -0.60 -0.76 119.66 118.47 1u8e s GLN 469 Ca -0.10 -0.47 -0.16 0.00 0.05 0.00 0.00 55.36 54.68 1u8e s GLN 469 Cb -0.06 -3.27 -0.07 0.00 1.10 0.00 0.00 33.01 30.71 1u8e s GLN 469 CO 0.00 -0.11 0.56 -0.51 -0.55 0.00 0.00 175.29 174.68 1u8e s LEU 470 N 1.40 4.39 -0.39 3.68 1.43 1.00 -1.91 118.68 128.27 1u8e s LEU 470 Ca 0.05 1.15 0.01 0.00 -1.03 0.00 0.00 54.13 54.31 1u8e s LEU 470 Cb -0.15 -3.17 0.12 0.00 0.03 0.00 0.00 46.19 43.03 1u8e s LEU 470 CO 0.03 0.15 0.19 -0.13 0.23 0.00 0.00 176.35 176.82 1u8e s ARG 471 N -1.71 1.09 0.04 1.70 0.52 -0.17 -1.47 118.95 118.95 1u8e s ARG 471 Ca 0.35 -1.70 -0.30 0.00 -0.52 0.00 0.00 55.73 53.57 1u8e s ARG 471 Cb -0.16 -2.22 -0.04 0.00 0.52 0.00 0.00 34.95 33.04 1u8e s ARG 471 CO 0.19 -1.10 1.05 0.00 0.02 0.00 0.00 175.30 175.46 1u8e n SER 473 N 3.69 1.84 0.00 0.00 3.41 0.21 -1.47 113.62 121.29 1u8e n SER 473 Ca 0.06 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 1u8e n SER 473 Cb 0.49 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1u8e n SER 473 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u8e n GLY 474 N -0.58 1.76 0.10 5.00 0.00 -1.26 -0.99 105.19 109.23 1u8e n GLY 474 Ca 0.02 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 45.14 1u8e n GLY 474 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u8e n PRO 475 N -0.79 0.19 -0.12 1.61 -0.04 -0.63 0.02 135.00 135.25 1u8e n PRO 475 Ca 0.00 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 1u8e n PRO 475 Cb 0.00 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 1u8e n PRO 475 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u8e n GLY 476 N 0.65 -0.67 3.77 0.55 0.00 -0.54 -4.45 105.19 104.49 1u8e n GLY 476 Ca 0.04 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 1u8e n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u8e s LEU 477 N 0.00 4.12 0.26 0.99 1.43 -1.26 -4.60 118.68 119.62 1u8e s LEU 477 Ca 0.00 2.45 -0.30 0.00 -1.03 0.00 0.00 54.13 55.26 1u8e s LEU 477 Cb 0.00 -4.07 -0.14 0.00 0.03 0.00 0.00 46.19 42.01 1u8e s LEU 477 CO 0.00 -0.86 1.13 -2.65 0.23 0.00 0.00 176.35 174.20 1u8e n PRO 478 N -0.15 1.47 -3.94 1.29 -0.02 -1.26 -4.76 135.00 127.64 1u8e n PRO 478 Ca 0.05 0.52 -0.23 0.00 -2.02 0.00 0.00 63.50 61.83 1u8e n PRO 478 Cb 0.46 -1.98 -0.17 0.00 -0.02 0.00 0.00 33.50 31.79 1u8e n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1u8e s LEU 479 N 0.32 0.95 -0.20 2.45 2.96 -0.54 -4.09 118.68 120.53 1u8e s LEU 479 Ca 0.63 -0.14 -0.05 0.00 -0.22 0.00 0.00 54.13 54.35 1u8e s LEU 479 Cb -0.72 -0.53 -0.02 0.00 0.50 0.00 0.00 46.19 45.42 1u8e s LEU 479 CO 0.57 -0.13 -0.01 -0.31 -1.32 0.00 0.00 176.35 175.15 1u8e s TYR 480 N 1.57 3.03 0.12 5.38 1.51 0.48 -0.70 117.35 128.73 1u8e s TYR 480 Ca -0.00 -0.49 0.05 0.00 -1.01 0.00 0.00 57.07 55.62 1u8e s TYR 480 Cb -0.13 -2.08 -0.04 0.00 -0.11 0.00 0.00 41.96 39.60 1u8e s TYR 480 CO -0.04 -0.25 -0.13 0.95 -1.11 0.00 0.00 175.55 174.96 1u8e s THR 481 N 1.00 1.25 -0.07 -0.71 -4.23 -0.54 -0.20 115.64 112.15 1u8e s THR 481 Ca 0.02 -1.70 0.02 0.00 -1.18 0.00 0.00 61.69 58.85 1u8e s THR 481 Cb -0.14 -1.49 -0.03 0.00 1.34 0.00 0.00 72.50 72.18 1u8e s THR 481 CO 0.02 -0.44 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.32 1u8e s LEU 482 N -2.45 2.91 0.18 4.79 0.20 -0.73 -0.00 118.68 123.58 1u8e s LEU 482 Ca 0.08 -0.15 0.00 0.00 0.69 0.00 0.00 54.13 54.76 1u8e s LEU 482 Cb -0.05 -1.62 -0.04 0.00 -0.43 0.00 0.00 46.19 44.05 1u8e s LEU 482 CO 0.02 0.32 0.07 -1.00 -0.29 0.00 0.00 176.35 175.48 1u8e s HIS 483 N -0.58 1.14 -0.09 5.38 3.76 0.06 -1.31 115.29 123.65 1u8e s HIS 483 Ca 0.08 -1.21 0.03 0.00 -0.15 0.00 0.00 55.06 53.82 1u8e s HIS 483 Cb -0.12 -0.63 0.00 0.00 1.11 0.00 0.00 32.58 32.95 1u8e s HIS 483 CO 0.02 -0.44 -0.20 -1.54 -0.85 0.00 0.00 174.74 171.72 1u8e s SER 484 N -3.15 2.70 0.35 1.40 1.04 -0.96 -1.67 113.70 113.40 1u8e s SER 484 Ca 0.30 -0.49 0.05 0.00 0.48 0.00 0.00 55.95 56.30 1u8e s SER 484 Cb 0.07 -1.24 0.65 0.00 0.10 0.00 0.00 66.02 65.60 1u8e s SER 484 CO 0.07 0.11 1.91 0.28 0.98 0.00 0.00 173.24 176.59 1u8e h SER 485 N 6.86 0.49 -0.78 7.02 0.02 -0.91 0.81 113.55 127.06 1u8e h SER 485 Ca -0.24 -0.08 0.12 0.00 -0.84 0.00 0.00 61.79 60.76 1u8e h SER 485 Cb 1.22 -0.13 -0.13 0.00 0.14 0.00 0.00 62.40 63.50 1u8e h SER 485 CO 0.48 0.52 -0.37 1.62 -1.14 0.00 0.00 176.83 177.94 1u8e h VAL 486 N 0.52 0.09 0.00 2.27 3.04 -1.91 -3.02 116.25 117.24 1u8e h VAL 486 Ca 0.12 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.81 1u8e h VAL 486 Cb 0.25 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 29.62 1u8e h VAL 486 CO 0.00 0.00 -0.02 0.59 -1.01 0.00 0.00 177.57 177.13 1u8e n ASN 487 N -5.44 1.44 -3.49 3.17 4.13 -1.25 -5.01 115.26 108.81 1u8e n ASN 487 Ca 0.07 -1.87 -0.20 0.00 1.68 0.00 0.00 54.58 54.26 1u8e n ASN 487 Cb 0.37 -0.06 0.06 0.00 -1.54 0.00 0.00 39.78 38.62 1u8e n ASN 487 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1u8e n ASP 488 N -0.45 -3.77 -4.81 6.41 10.43 0.24 -4.96 116.55 119.63 1u8e n ASP 488 Ca 0.02 -0.77 -0.38 0.00 2.57 0.00 0.00 54.79 56.23 1u8e n ASP 488 Cb 0.38 -4.58 -0.06 0.00 1.84 0.00 0.00 41.12 38.70 1u8e n ASP 488 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1u8e s LYS 489 N -5.32 4.05 -1.02 -1.24 1.02 -0.97 -4.87 119.74 111.38 1u8e s LYS 489 Ca 0.22 0.48 -0.22 0.00 0.02 0.00 0.00 55.97 56.47 1u8e s LYS 489 Cb -0.05 -3.26 0.06 0.00 -0.52 0.00 0.00 37.83 34.07 1u8e s LYS 489 CO 0.78 0.60 1.41 0.20 -0.92 0.00 0.00 175.35 177.41 1u8e s GLY 490 N -0.81 1.39 0.03 -3.33 0.00 -1.26 -2.26 107.32 101.07 1u8e s GLY 490 Ca 0.25 -2.37 -0.09 0.00 0.00 0.00 0.00 44.72 42.51 1u8e s GLY 490 CO 0.14 2.58 1.14 1.41 0.00 0.00 0.00 173.10 178.37 1u8e h LEU 491 N 12.39 -0.41 -7.45 0.66 3.38 -1.55 -3.48 115.31 118.86 1u8e h LEU 491 Ca 0.20 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.25 1u8e h LEU 491 Cb 1.01 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.81 1u8e h LEU 491 CO 1.38 -0.15 0.25 0.00 0.09 0.00 0.00 178.44 180.01 1u8e s ARG 492 N -3.72 1.46 -0.15 1.13 1.70 -1.20 -5.03 118.95 113.15 1u8e s ARG 492 Ca -0.04 -0.68 -0.24 0.00 -0.47 0.00 0.00 55.73 54.29 1u8e s ARG 492 Cb 0.01 0.58 -0.02 0.00 -0.57 0.00 0.00 34.95 34.95 1u8e s ARG 492 CO 0.16 -0.65 0.77 0.08 -1.08 0.00 0.00 175.30 174.57 1u8e s VAL 493 N -3.76 4.94 -0.18 4.99 1.01 -1.26 -1.78 120.40 124.36 1u8e s VAL 493 Ca 0.06 1.52 -0.24 0.00 0.00 0.00 0.00 61.98 63.32 1u8e s VAL 493 Cb -0.03 -4.09 -0.21 0.00 0.00 0.00 0.00 36.38 32.05 1u8e s VAL 493 CO -0.04 0.09 0.41 -0.07 0.00 0.00 0.00 175.10 175.49 1u8e h LEU 494 N 7.93 0.00 -7.20 3.92 3.38 -0.93 -3.48 115.31 118.94 1u8e h LEU 494 Ca -0.32 -0.67 -0.14 0.00 0.09 0.00 0.00 57.88 56.83 1u8e h LEU 494 Cb 1.15 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.62 1u8e h LEU 494 CO 0.81 1.29 -0.39 -0.70 0.09 0.00 0.00 178.44 179.54 1u8e s GLU 495 N -2.30 0.30 0.00 1.13 2.56 -1.07 -4.99 118.70 114.33 1u8e s GLU 495 Ca -0.25 0.83 0.06 0.00 0.00 0.00 0.00 54.97 55.61 1u8e s GLU 495 Cb 0.02 0.08 0.13 0.00 2.00 0.00 0.00 34.13 36.36 1u8e s GLU 495 CO 0.62 -0.21 1.01 -0.40 -0.56 0.00 0.00 175.26 175.72 1u8e n ASP 496 N 4.81 2.22 -3.97 -1.70 5.68 -1.26 -0.39 116.55 121.94 1u8e n ASP 496 Ca -0.16 -1.80 -0.30 0.00 -0.50 0.00 0.00 54.79 52.03 1u8e n ASP 496 Cb 0.52 -0.09 0.01 0.00 -1.14 0.00 0.00 41.12 40.42 1u8e n ASP 496 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1u8e n ASN 497 N 0.10 -3.23 0.04 -1.12 3.02 -1.26 -4.84 115.26 107.98 1u8e n ASN 497 Ca 0.05 -0.88 -0.08 0.00 -0.03 0.00 0.00 54.58 53.64 1u8e n ASN 497 Cb 0.29 -3.50 0.07 0.00 -0.61 0.00 0.00 39.78 36.03 1u8e n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1u8e h SER 498 N -1.87 0.48 0.46 6.41 4.64 -1.95 -2.34 113.55 119.38 1u8e h SER 498 Ca -0.60 -0.28 -0.02 0.00 -0.47 0.00 0.00 61.79 60.42 1u8e h SER 498 Cb 1.38 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1u8e h SER 498 CO 0.68 0.98 -0.22 0.00 -0.87 0.00 0.00 176.83 177.40 1u8e h ALA 499 N 1.02 -0.62 -0.72 5.18 0.00 -2.01 -2.33 119.26 119.78 1u8e h ALA 499 Ca -0.01 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1u8e h ALA 499 Cb 1.15 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 1u8e h ALA 499 CO 0.11 -0.84 0.43 1.25 0.00 0.00 0.00 179.25 180.19 1u8e h LEU 500 N -0.64 0.66 -1.37 0.00 5.85 -1.90 -1.62 115.31 116.30 1u8e h LEU 500 Ca -0.06 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.79 1u8e h LEU 500 Cb 0.48 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 1u8e h LEU 500 CO 0.10 0.43 0.52 -0.78 -0.34 0.00 0.00 178.44 178.37 1u8e h ASP 501 N 0.79 0.62 0.03 1.25 3.58 -1.21 -0.67 116.42 120.81 1u8e h ASP 501 Ca 0.32 0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.65 1u8e h ASP 501 Cb 0.15 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1u8e h ASP 501 CO -0.17 0.36 -0.44 0.11 -2.88 0.00 0.00 179.24 176.22 1u8e h LYS 502 N 0.68 0.50 -0.11 0.28 1.79 -0.75 -2.84 116.57 116.12 1u8e h LYS 502 Ca 0.38 -0.27 -0.06 0.00 -2.18 0.00 0.00 60.65 58.53 1u8e h LYS 502 Cb 0.54 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1u8e h LYS 502 CO -0.15 0.84 -0.15 0.52 -1.08 0.00 0.00 179.45 179.43 1u8e h MET 503 N 0.41 0.31 0.00 3.15 2.86 -0.93 -3.23 114.93 117.49 1u8e h MET 503 Ca 0.03 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 1u8e h MET 503 Cb 0.93 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.60 1u8e h MET 503 CO 0.08 0.74 -0.05 -0.07 1.06 0.00 0.00 176.91 178.67 1u8e h LEU 504 N -0.11 0.00 -0.50 1.22 3.38 -1.17 -1.45 115.31 116.68 1u8e h LEU 504 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1u8e h LEU 504 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1u8e h LEU 504 CO 0.04 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.62 1u8e n GLN 505 N -3.45 0.17 -0.25 1.13 10.64 -1.07 -1.99 117.38 122.55 1u8e n GLN 505 Ca -0.02 0.36 0.11 0.00 -1.83 0.00 0.00 57.00 55.62 1u8e n GLN 505 Cb 0.18 -1.80 0.27 0.00 -0.86 0.00 0.00 30.24 28.03 1u8e n GLN 505 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1u8e n ASN 506 N -2.11 3.19 -4.14 2.61 3.02 -0.55 -4.90 115.26 112.38 1u8e n ASN 506 Ca 0.03 -1.97 -0.21 0.00 -0.03 0.00 0.00 54.58 52.40 1u8e n ASN 506 Cb 0.25 -0.33 -0.14 0.00 -0.61 0.00 0.00 39.78 38.95 1u8e n ASN 506 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1u8e s VAL 507 N -1.34 1.16 -1.22 2.41 0.11 -0.84 -3.95 120.40 116.72 1u8e s VAL 507 Ca 0.40 -0.87 -0.21 0.00 -2.93 0.00 0.00 61.98 58.37 1u8e s VAL 507 Cb 0.22 -1.01 -0.01 0.00 -1.53 0.00 0.00 36.38 34.04 1u8e s VAL 507 CO 0.29 0.14 1.83 -1.10 -3.33 0.00 0.00 175.10 172.93 1u8e s GLN 508 N -0.84 3.17 0.53 1.54 -0.21 0.45 -4.95 119.66 119.36 1u8e s GLN 508 Ca 0.04 -1.49 -0.18 0.00 0.02 0.00 0.00 55.36 53.74 1u8e s GLN 508 Cb -0.07 -5.37 -0.07 0.00 1.00 0.00 0.00 33.01 28.51 1u8e s GLN 508 CO 0.01 -3.17 1.04 -1.64 -2.12 0.00 0.00 175.29 169.41 1u8e s MET 509 N 5.48 3.63 0.70 2.91 -1.94 -1.26 -4.39 119.30 124.42 1u8e s MET 509 Ca 0.61 1.27 -0.07 0.00 -1.71 0.00 0.00 55.69 55.80 1u8e s MET 509 Cb 0.01 -2.07 0.06 0.00 2.01 0.00 0.00 34.83 34.83 1u8e s MET 509 CO 0.10 -0.56 1.02 -1.25 -0.01 0.00 0.00 175.02 174.31 1u8e s PRO 510 N -3.61 2.27 0.45 2.03 0.04 -1.26 -4.35 135.00 130.57 1u8e s PRO 510 Ca 0.65 -0.19 0.06 0.00 0.04 0.00 0.00 61.00 61.57 1u8e s PRO 510 Cb -0.16 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 1u8e s PRO 510 CO 0.27 -1.20 0.24 -1.54 0.04 0.00 0.00 177.00 174.81 1u8e s SER 511 N -4.50 4.52 -0.08 6.66 1.04 0.17 -4.91 113.70 116.61 1u8e s SER 511 Ca 0.60 -1.13 0.01 0.00 0.48 0.00 0.00 55.95 55.91 1u8e s SER 511 Cb -0.11 -0.20 0.02 0.00 0.10 0.00 0.00 66.02 65.83 1u8e s SER 511 CO 0.45 -0.71 -0.10 -0.75 0.98 0.00 0.00 173.24 173.12 1u8e s LYS 512 N -4.01 1.52 -0.22 4.02 2.20 -1.26 0.09 119.74 122.08 1u8e s LYS 512 Ca 0.37 -0.31 -0.03 0.00 -0.36 0.00 0.00 55.97 55.64 1u8e s LYS 512 Cb 0.01 -1.39 -0.00 0.00 -1.51 0.00 0.00 37.83 34.94 1u8e s LYS 512 CO 0.21 -0.09 -0.06 0.21 -0.36 0.00 0.00 175.35 175.26 1u8e s LYS 513 N 1.07 3.32 -0.23 4.03 2.20 -0.81 -4.96 119.74 124.36 1u8e s LYS 513 Ca -0.07 -0.66 -0.05 0.00 -0.36 0.00 0.00 55.97 54.83 1u8e s LYS 513 Cb -0.14 -2.95 -0.02 0.00 -1.51 0.00 0.00 37.83 33.21 1u8e s LYS 513 CO -0.01 -0.20 0.00 -1.17 -0.36 0.00 0.00 175.35 173.61 1u8e s LEU 514 N 1.45 3.10 0.00 5.43 2.96 -1.26 -1.46 118.68 128.91 1u8e s LEU 514 Ca 0.06 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1u8e s LEU 514 Cb -0.14 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.74 1u8e s LEU 514 CO -0.05 -0.02 0.00 -0.67 -1.32 0.00 0.00 176.35 174.29 1u8e n ASP 515 N 4.84 0.00 -3.93 3.68 4.64 -0.69 -5.01 116.55 120.08 1u8e n ASP 515 Ca -0.17 -0.28 -0.09 0.00 -1.38 0.00 0.00 54.79 52.86 1u8e n ASP 515 Cb 0.51 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.54 1u8e n ASP 515 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 1u8e s PHE 516 N -3.43 0.23 0.14 -0.67 -0.71 -1.26 -0.78 117.98 111.50 1u8e s PHE 516 Ca 0.00 -0.59 0.05 0.00 -1.04 0.00 0.00 56.93 55.35 1u8e s PHE 516 Cb 0.00 0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.99 1u8e s PHE 516 CO 0.00 -0.94 -0.11 0.96 -1.34 0.00 0.00 175.22 173.79 1u8e s ILE 517 N -3.97 1.21 -0.35 -4.49 -4.36 0.10 -4.94 121.20 104.41 1u8e s ILE 517 Ca 0.18 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.47 1u8e s ILE 517 Cb -0.00 -1.78 0.01 0.00 1.25 0.00 0.00 42.46 41.94 1u8e s ILE 517 CO 0.05 -0.68 0.18 -0.63 0.24 0.00 0.00 174.94 174.10 1u8e s ILE 518 N -3.08 4.58 -0.54 8.37 1.01 -1.26 -0.06 121.20 130.22 1u8e s ILE 518 Ca 0.15 -0.67 -0.17 0.00 0.00 0.00 0.00 60.65 59.97 1u8e s ILE 518 Cb 0.01 -3.46 0.11 0.00 0.01 0.00 0.00 42.46 39.13 1u8e s ILE 518 CO 0.01 -0.10 0.54 -0.76 0.00 0.00 0.00 174.94 174.63 1u8e s LEU 519 N 1.58 5.85 0.00 2.97 1.43 0.44 -4.81 118.68 126.14 1u8e s LEU 519 Ca 0.03 -1.58 0.00 0.00 -1.03 0.00 0.00 54.13 51.55 1u8e s LEU 519 Cb -0.18 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.80 1u8e s LEU 519 CO 0.06 -0.88 0.00 -0.46 0.23 0.00 0.00 176.35 175.30 1u8e n ASN 520 N 5.54 -1.92 0.00 2.29 6.94 -1.26 -2.54 115.26 124.30 1u8e n ASN 520 Ca -0.12 0.21 0.00 0.00 -0.02 0.00 0.00 54.58 54.65 1u8e n ASN 520 Cb 0.41 -0.40 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 1u8e n ASN 520 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1u8e n GLU 521 N 1.23 0.00 -2.75 -3.83 -0.58 -1.26 -4.95 120.64 108.50 1u8e n GLU 521 Ca 0.00 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.41 1u8e n GLU 521 Cb 0.03 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.85 1u8e n GLU 521 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1u8e s THR 522 N 0.00 4.49 -0.09 2.62 2.01 -1.05 -5.05 115.64 118.57 1u8e s THR 522 Ca 0.00 1.30 -0.02 0.00 0.31 0.00 0.00 61.69 63.28 1u8e s THR 522 Cb 0.00 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 1u8e s THR 522 CO 0.00 -0.41 0.02 -1.59 -0.69 0.00 0.00 174.62 171.94 1u8e s LYS 523 N -3.43 3.03 -0.05 4.92 -2.85 -1.26 -0.42 119.74 119.67 1u8e s LYS 523 Ca 0.60 -0.38 0.03 0.00 -1.00 0.00 0.00 55.97 55.21 1u8e s LYS 523 Cb -0.09 -2.84 0.01 0.00 -2.06 0.00 0.00 37.83 32.85 1u8e s LYS 523 CO 0.20 0.71 -0.13 -0.06 0.10 0.00 0.00 175.35 176.17 1u8e s PHE 524 N -0.91 1.41 0.46 1.78 0.40 0.91 -4.94 117.98 117.10 1u8e s PHE 524 Ca 0.14 -0.46 -0.13 0.00 -0.60 0.00 0.00 56.93 55.88 1u8e s PHE 524 Cb -0.11 -1.01 -0.07 0.00 0.51 0.00 0.00 43.02 42.34 1u8e s PHE 524 CO 0.03 -0.21 0.87 -1.58 0.70 0.00 0.00 175.22 175.02 1u8e s TRP 525 N 0.43 3.48 0.14 0.36 0.52 -1.26 -0.72 118.94 121.89 1u8e s TRP 525 Ca -0.10 1.22 -0.15 0.00 0.02 0.00 0.00 56.10 57.09 1u8e s TRP 525 Cb -0.13 -2.59 0.03 0.00 -1.15 0.00 0.00 33.47 29.62 1u8e s TRP 525 CO 0.03 -0.25 0.40 1.52 0.02 0.00 0.00 176.95 178.67 1u8e s TYR 526 N -2.54 -0.10 0.07 -1.98 -0.85 0.04 -1.92 117.35 110.07 1u8e s TYR 526 Ca 0.54 -0.24 0.02 0.00 -0.52 0.00 0.00 57.07 56.88 1u8e s TYR 526 Cb -0.10 0.23 -0.03 0.00 0.38 0.00 0.00 41.96 42.44 1u8e s TYR 526 CO 0.33 -0.74 -0.08 1.14 -1.52 0.00 0.00 175.55 174.68 1u8e s GLN 527 N -3.84 0.68 -0.06 -3.49 -2.07 -0.58 -1.70 119.66 108.60 1u8e s GLN 527 Ca 0.06 -1.02 -0.01 0.00 -1.82 0.00 0.00 55.36 52.57 1u8e s GLN 527 Cb 0.02 -0.30 0.03 0.00 -1.09 0.00 0.00 33.01 31.66 1u8e s GLN 527 CO -0.09 0.03 0.02 -1.64 -1.32 0.00 0.00 175.29 172.29 1u8e s MET 528 N -2.54 0.40 -0.53 9.60 -1.94 -0.53 -1.61 119.30 122.15 1u8e s MET 528 Ca -0.00 0.19 -0.27 0.00 -1.71 0.00 0.00 55.69 53.90 1u8e s MET 528 Cb -0.04 -0.83 0.03 0.00 2.01 0.00 0.00 34.83 36.01 1u8e s MET 528 CO -0.01 -0.31 1.06 0.42 -0.01 0.00 0.00 175.02 176.16 1u8e s ILE 529 N 2.01 4.25 0.05 2.53 -1.09 -0.35 -1.92 121.20 126.68 1u8e s ILE 529 Ca 0.05 0.77 -0.12 0.00 -2.23 0.00 0.00 60.65 59.12 1u8e s ILE 529 Cb -0.12 -4.59 -0.06 0.00 -1.58 0.00 0.00 42.46 36.11 1u8e s ILE 529 CO -0.04 -1.10 0.41 -0.76 -1.23 0.00 0.00 174.94 172.21 1u8e s LEU 530 N 4.33 4.40 0.72 2.97 1.43 0.11 -2.43 118.68 130.21 1u8e s LEU 530 Ca 0.39 0.86 -0.14 0.00 -1.03 0.00 0.00 54.13 54.22 1u8e s LEU 530 Cb -0.09 -2.83 0.03 0.00 0.03 0.00 0.00 46.19 43.33 1u8e s LEU 530 CO 0.25 0.23 1.14 -2.84 0.23 0.00 0.00 176.35 175.37 1u8e s PRO 531 N -1.58 2.34 0.75 1.29 0.02 -1.26 -0.65 135.00 135.89 1u8e s PRO 531 Ca 0.29 1.50 -0.15 0.00 0.02 0.00 0.00 61.00 62.66 1u8e s PRO 531 Cb -0.15 -1.88 0.03 0.00 0.02 0.00 0.00 34.50 32.52 1u8e s PRO 531 CO 0.16 -1.63 1.13 -2.30 -0.33 0.00 0.00 177.00 174.03 1u8e n PRO 532 N -2.84 0.49 -4.06 5.54 -0.02 -1.26 -2.79 135.00 130.07 1u8e n PRO 532 Ca 0.11 0.23 -0.31 0.00 -2.02 0.00 0.00 63.50 61.52 1u8e n PRO 532 Cb 0.52 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 1u8e n PRO 532 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1u8e n HIS 533 N -2.72 -1.79 -1.79 6.00 8.25 -1.26 -4.84 115.22 117.07 1u8e n HIS 533 Ca 0.14 0.79 -0.42 0.00 -0.26 0.00 0.00 57.72 57.97 1u8e n HIS 533 Cb 0.50 -3.46 -0.03 0.00 1.12 0.00 0.00 29.99 28.12 1u8e n HIS 533 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1u8e s PHE 534 N -3.58 2.82 -0.29 4.41 5.36 -1.12 -4.98 117.98 120.60 1u8e s PHE 534 Ca 0.41 0.36 0.03 0.00 -0.96 0.00 0.00 56.93 56.77 1u8e s PHE 534 Cb -0.22 -4.08 0.07 0.00 -0.34 0.00 0.00 43.02 38.45 1u8e s PHE 534 CO 0.90 -4.15 -0.06 0.34 -1.46 0.00 0.00 175.22 170.79 1u8e s ASP 535 N 1.43 4.56 0.00 6.13 2.15 -1.26 -4.96 116.67 124.71 1u8e s ASP 535 Ca 0.74 -1.63 0.00 0.00 0.43 0.00 0.00 52.55 52.09 1u8e s ASP 535 Cb -0.47 -1.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.57 1u8e s ASP 535 CO 0.32 -0.25 0.40 2.29 -0.17 0.00 0.00 175.17 177.76 1u8e n LYS 536 N 4.38 0.00 -0.01 4.34 2.85 -1.26 0.24 118.16 128.71 1u8e n LYS 536 Ca -0.09 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.19 1u8e n LYS 536 Cb 0.42 -1.47 -0.12 0.00 -0.65 0.00 0.00 35.03 33.21 1u8e n LYS 536 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1u8e n SER 537 N -0.89 0.41 -4.87 -5.58 2.88 -1.26 -4.28 113.62 100.03 1u8e n SER 537 Ca 0.00 0.18 -0.33 0.00 -1.33 0.00 0.00 58.87 57.39 1u8e n SER 537 Cb 0.00 0.90 -0.05 0.00 -0.75 0.00 0.00 64.21 64.30 1u8e n SER 537 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1u8e s LYS 538 N -3.01 3.83 -0.31 -1.46 2.20 0.14 -4.96 119.74 116.17 1u8e s LYS 538 Ca -0.06 0.30 -0.14 0.00 -0.36 0.00 0.00 55.97 55.71 1u8e s LYS 538 Cb 0.10 -2.76 -0.03 0.00 -1.51 0.00 0.00 37.83 33.63 1u8e s LYS 538 CO 0.84 0.39 0.33 0.15 -0.36 0.00 0.00 175.35 176.70 1u8e s LYS 539 N -2.51 3.78 0.15 4.03 1.02 -1.26 -4.43 119.74 120.53 1u8e s LYS 539 Ca 0.43 -0.25 0.05 0.00 0.02 0.00 0.00 55.97 56.22 1u8e s LYS 539 Cb -0.12 -3.73 -0.04 0.00 -0.52 0.00 0.00 37.83 33.42 1u8e s LYS 539 CO 0.21 -0.38 0.11 0.71 -0.92 0.00 0.00 175.35 175.08 1u8e s TYR 540 N 1.98 3.12 0.15 3.18 1.51 0.01 -4.62 117.35 122.67 1u8e s TYR 540 Ca 0.12 -0.02 -0.28 0.00 -1.01 0.00 0.00 57.07 55.88 1u8e s TYR 540 Cb -0.16 -1.51 -0.07 0.00 -0.11 0.00 0.00 41.96 40.10 1u8e s TYR 540 CO 0.11 0.52 0.89 -1.25 -1.11 0.00 0.00 175.55 174.70 1u8e s PRO 541 N -2.97 4.69 -0.05 -1.71 0.04 -1.26 0.70 135.00 134.43 1u8e s PRO 541 Ca 0.30 1.34 0.04 0.00 0.04 0.00 0.00 61.00 62.73 1u8e s PRO 541 Cb -0.10 -3.32 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 1u8e s PRO 541 CO 0.23 0.38 -0.18 -1.17 0.04 0.00 0.00 177.00 176.30 1u8e s LEU 542 N -0.57 2.52 -0.21 -3.56 0.20 -0.81 -1.26 118.68 115.00 1u8e s LEU 542 Ca 0.42 -0.29 -0.01 0.00 0.69 0.00 0.00 54.13 54.94 1u8e s LEU 542 Cb -0.24 -1.50 0.02 0.00 -0.43 0.00 0.00 46.19 44.05 1u8e s LEU 542 CO 0.29 0.32 -0.12 -0.22 -0.29 0.00 0.00 176.35 176.32 1u8e s LEU 543 N -0.57 2.69 -0.60 -0.68 0.20 0.28 -0.29 118.68 119.72 1u8e s LEU 543 Ca 0.08 -0.71 -0.24 0.00 0.69 0.00 0.00 54.13 53.95 1u8e s LEU 543 Cb -0.11 -1.59 0.05 0.00 -0.43 0.00 0.00 46.19 44.10 1u8e s LEU 543 CO 0.01 -0.05 0.98 -0.22 -0.29 0.00 0.00 176.35 176.78 1u8e s LEU 544 N 1.33 4.08 -0.30 -0.68 2.96 -0.10 -1.36 118.68 124.62 1u8e s LEU 544 Ca 0.03 -0.51 -0.29 0.00 -0.22 0.00 0.00 54.13 53.14 1u8e s LEU 544 Cb -0.15 -2.71 0.01 0.00 0.50 0.00 0.00 46.19 43.85 1u8e s LEU 544 CO -0.08 -1.34 1.07 -0.62 -1.32 0.00 0.00 176.35 174.06 1u8e s ASP 545 N 3.14 6.97 0.10 3.68 -1.08 0.21 -2.08 116.67 127.61 1u8e s ASP 545 Ca 0.29 1.14 0.04 0.00 -0.52 0.00 0.00 52.55 53.51 1u8e s ASP 545 Cb -0.13 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.75 1u8e s ASP 545 CO 0.17 -0.83 -0.11 0.54 0.52 0.00 0.00 175.17 175.45 1u8e s VAL 546 N 3.56 1.05 0.00 1.11 0.11 -0.58 -4.21 120.40 121.44 1u8e s VAL 546 Ca 0.45 -1.62 0.00 0.00 -2.93 0.00 0.00 61.98 57.89 1u8e s VAL 546 Cb -0.13 -1.36 0.00 0.00 -1.53 0.00 0.00 36.38 33.36 1u8e s VAL 546 CO 0.13 -0.49 0.00 0.33 -3.33 0.00 0.00 175.10 171.75 1u8e n PHE 547 N 0.64 0.00 -1.35 1.54 7.35 -1.26 -4.17 117.46 120.20 1u8e n PHE 547 Ca -0.16 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.40 1u8e n PHE 547 Cb 0.57 0.24 -0.05 0.00 0.35 0.00 0.00 39.48 40.59 1u8e n PHE 547 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1u8e n ALA 548 N -1.86 -0.19 -1.16 3.13 0.00 -1.26 -3.60 120.51 115.57 1u8e n ALA 548 Ca 0.00 0.20 -0.29 0.00 0.00 0.00 0.00 53.44 53.35 1u8e n ALA 548 Cb 0.00 -1.49 0.17 0.00 0.00 0.00 0.00 19.45 18.13 1u8e n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1u8e s GLY 549 N -2.72 1.57 0.14 0.00 0.00 -1.26 -4.83 107.32 100.22 1u8e s GLY 549 Ca 0.00 -0.30 -0.33 0.00 0.00 0.00 0.00 44.72 44.09 1u8e s GLY 549 CO 0.00 0.29 1.69 -1.05 0.00 0.00 0.00 173.10 174.03 1u8e n PRO 550 N -4.14 2.42 -2.30 2.90 -0.02 -1.26 -1.85 135.00 130.74 1u8e n PRO 550 Ca 0.05 0.88 -0.14 0.00 -2.02 0.00 0.00 63.50 62.27 1u8e n PRO 550 Cb 0.57 -2.69 -0.01 0.00 -0.02 0.00 0.00 33.50 31.35 1u8e n PRO 550 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u8e s SER 552 N -2.37 6.29 -0.17 0.00 1.04 -0.77 -4.08 113.70 113.63 1u8e s SER 552 Ca 0.01 0.55 -0.04 0.00 0.48 0.00 0.00 55.95 56.95 1u8e s SER 552 Cb -0.00 -2.07 0.08 0.00 0.10 0.00 0.00 66.02 64.12 1u8e s SER 552 CO 0.01 -0.35 0.20 -1.58 0.98 0.00 0.00 173.24 172.50 1u8e s GLN 553 N -4.40 0.14 -0.00 4.02 0.74 -1.26 -1.72 119.66 117.17 1u8e s GLN 553 Ca 0.41 0.30 0.10 0.00 0.05 0.00 0.00 55.36 56.22 1u8e s GLN 553 Cb -0.10 -0.98 -0.11 0.00 1.10 0.00 0.00 33.01 32.92 1u8e s GLN 553 CO 0.38 -0.55 0.43 1.63 -0.55 0.00 0.00 175.29 176.62 1u8e n LYS 554 N 5.32 3.60 -3.68 1.67 4.76 -1.26 -4.82 118.16 123.75 1u8e n LYS 554 Ca -0.05 -0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.00 1u8e n LYS 554 Cb 0.50 -0.98 -0.10 0.00 -1.84 0.00 0.00 35.03 32.60 1u8e n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u8e s ALA 555 N -1.97 3.24 0.11 7.82 0.00 -1.26 -4.81 121.76 124.90 1u8e s ALA 555 Ca 0.04 -2.43 0.02 0.00 0.00 0.00 0.00 51.96 49.59 1u8e s ALA 555 Cb 0.08 -2.57 -0.01 0.00 0.00 0.00 0.00 23.12 20.62 1u8e s ALA 555 CO 0.42 -1.78 0.10 -0.40 0.00 0.00 0.00 175.76 174.09 1u8e n ASP 556 N 4.76 -0.26 -1.64 0.00 5.68 -1.26 -4.47 116.55 119.35 1u8e n ASP 556 Ca -0.06 -1.75 0.02 0.00 -0.50 0.00 0.00 54.79 52.50 1u8e n ASP 556 Cb 0.41 0.60 0.33 0.00 -1.14 0.00 0.00 41.12 41.32 1u8e n ASP 556 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1u8e n THR 557 N -0.22 2.70 -2.83 2.12 -2.24 -1.03 -4.95 114.28 107.84 1u8e n THR 557 Ca 0.03 -1.69 -0.37 0.00 -2.27 0.00 0.00 64.05 59.75 1u8e n THR 557 Cb 0.21 -0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 68.07 1u8e n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1u8e s VAL 558 N -2.90 4.26 -0.21 2.28 1.01 -1.26 -1.60 120.40 121.98 1u8e s VAL 558 Ca 0.51 1.75 -0.17 0.00 0.00 0.00 0.00 61.98 64.07 1u8e s VAL 558 Cb 0.41 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 1u8e s VAL 558 CO 0.12 0.14 0.47 0.12 0.00 0.00 0.00 175.10 175.96 1u8e s PHE 559 N -1.61 3.35 0.01 5.22 5.36 -0.16 -4.88 117.98 125.27 1u8e s PHE 559 Ca 0.49 0.69 0.04 0.00 -0.96 0.00 0.00 56.93 57.20 1u8e s PHE 559 Cb -0.18 -2.63 -0.02 0.00 -0.34 0.00 0.00 43.02 39.85 1u8e s PHE 559 CO 0.23 -0.11 -0.14 1.03 -1.46 0.00 0.00 175.22 174.78 1u8e s ARG 560 N 1.65 1.00 -0.57 10.12 0.52 -1.26 -4.93 118.95 125.49 1u8e s ARG 560 Ca 0.22 -0.61 -0.01 0.00 -0.52 0.00 0.00 55.73 54.81 1u8e s ARG 560 Cb -0.15 -0.99 0.15 0.00 0.52 0.00 0.00 34.95 34.47 1u8e s ARG 560 CO 0.09 0.26 0.36 -0.51 0.02 0.00 0.00 175.30 175.52 1u8e s LEU 561 N -0.71 5.02 0.00 2.53 1.02 -1.26 -4.86 118.68 120.42 1u8e s LEU 561 Ca 0.03 -2.79 0.00 0.00 0.02 0.00 0.00 54.13 51.39 1u8e s LEU 561 Cb -0.06 -1.80 0.00 0.00 0.02 0.00 0.00 46.19 44.35 1u8e s LEU 561 CO 0.00 -0.35 0.00 -0.46 0.02 0.00 0.00 176.35 175.56 1u8e n ASN 562 N 3.53 0.45 -0.13 2.29 0.23 -1.26 -5.00 115.26 115.37 1u8e n ASN 562 Ca 0.06 -0.31 -0.07 0.00 -0.53 0.00 0.00 54.58 53.73 1u8e n ASN 562 Cb 0.37 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.09 1u8e n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 1u8e h TRP 563 N 0.31 0.41 -0.23 -2.53 7.01 -1.97 -1.59 115.95 117.36 1u8e h TRP 563 Ca 0.00 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.07 1u8e h TRP 563 Cb 0.00 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 26.93 1u8e h TRP 563 CO 0.00 0.22 0.16 0.00 -2.79 0.00 0.00 178.44 176.04 1u8e h ALA 564 N 1.20 2.16 -0.24 2.65 0.00 -1.98 -0.37 119.26 122.68 1u8e h ALA 564 Ca 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1u8e h ALA 564 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1u8e h ALA 564 CO -0.10 -0.22 0.13 1.15 0.00 0.00 0.00 179.25 180.21 1u8e h THR 565 N 0.04 1.11 0.01 0.00 2.02 -1.62 -1.46 112.91 113.01 1u8e h THR 565 Ca 0.11 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 1u8e h THR 565 Cb 0.37 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1u8e h THR 565 CO -0.01 0.11 -0.00 0.22 0.37 0.00 0.00 175.52 176.21 1u8e h TYR 566 N 0.28 -0.01 -0.98 3.16 3.20 -1.08 0.22 116.97 121.76 1u8e h TYR 566 Ca 0.08 -0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.13 1u8e h TYR 566 Cb 0.05 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.24 1u8e h TYR 566 CO -0.04 0.15 0.61 -0.07 -1.64 0.00 0.00 178.16 177.17 1u8e h LEU 567 N -0.17 0.75 0.09 2.82 3.38 -0.93 0.43 115.31 121.69 1u8e h LEU 567 Ca -0.00 0.07 -0.22 0.00 0.09 0.00 0.00 57.88 57.83 1u8e h LEU 567 Cb 0.16 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1u8e h LEU 567 CO 0.00 0.31 -1.09 0.00 0.09 0.00 0.00 178.44 177.76 1u8e h ALA 568 N 1.61 0.11 -0.30 1.53 0.00 -1.16 -0.15 119.26 120.90 1u8e h ALA 568 Ca 0.54 -0.94 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1u8e h ALA 568 Cb 0.85 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1u8e h ALA 568 CO -0.31 0.61 0.14 1.03 0.00 0.00 0.00 179.25 180.72 1u8e h SER 569 N -0.50 0.39 0.02 0.00 0.87 -0.10 -2.56 113.55 111.68 1u8e h SER 569 Ca -0.24 -0.13 -0.40 0.00 -1.23 0.00 0.00 61.79 59.80 1u8e h SER 569 Cb 1.58 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 63.38 1u8e h SER 569 CO 0.04 0.41 -2.31 0.41 -0.53 0.00 0.00 176.83 174.85 1u8e n THR 570 N -4.78 1.55 1.17 2.23 -1.04 0.15 -4.52 114.28 109.04 1u8e n THR 570 Ca -0.02 -0.46 0.12 0.00 -2.04 0.00 0.00 64.05 61.65 1u8e n THR 570 Cb 0.11 -1.69 0.37 0.00 -1.82 0.00 0.00 70.33 67.30 1u8e n THR 570 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1u8e n GLU 571 N -3.75 1.88 -3.96 -2.82 -0.58 -1.04 -4.95 120.64 105.41 1u8e n GLU 571 Ca -0.46 -1.30 -0.26 0.00 -0.42 0.00 0.00 57.16 54.72 1u8e n GLU 571 Cb 0.93 -1.44 -0.02 0.00 -0.57 0.00 0.00 31.44 30.34 1u8e n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1u8e n ASN 572 N 0.54 -0.73 -4.47 1.62 5.03 -0.86 -4.91 115.26 111.49 1u8e n ASN 572 Ca 0.17 -0.99 -0.33 0.00 0.87 0.00 0.00 54.58 54.30 1u8e n ASN 572 Cb 0.40 -3.12 -0.13 0.00 -1.02 0.00 0.00 39.78 35.91 1u8e n ASN 572 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1u8e s ILE 573 N -3.87 3.63 -0.31 2.41 1.01 -0.13 -4.49 121.20 119.46 1u8e s ILE 573 Ca 0.08 -0.46 -0.28 0.00 0.00 0.00 0.00 60.65 59.99 1u8e s ILE 573 Cb -0.04 -2.57 0.02 0.00 0.01 0.00 0.00 42.46 39.88 1u8e s ILE 573 CO 0.88 0.51 1.04 -0.63 0.00 0.00 0.00 174.94 176.75 1u8e s ILE 574 N 0.25 4.55 -0.46 2.92 1.01 -0.39 -3.35 121.20 125.73 1u8e s ILE 574 Ca -0.05 1.70 -0.13 0.00 0.00 0.00 0.00 60.65 62.18 1u8e s ILE 574 Cb -0.14 -4.38 0.09 0.00 0.01 0.00 0.00 42.46 38.03 1u8e s ILE 574 CO 0.04 -0.44 0.36 -0.69 0.00 0.00 0.00 174.94 174.21 1u8e s VAL 575 N 3.55 4.76 0.40 2.92 1.01 -1.02 -0.56 120.40 131.46 1u8e s VAL 575 Ca 0.44 -1.32 0.06 0.00 0.00 0.00 0.00 61.98 61.17 1u8e s VAL 575 Cb -0.13 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1u8e s VAL 575 CO 0.14 -0.61 0.55 0.00 0.00 0.00 0.00 175.10 175.18 1u8e s ALA 576 N 1.53 4.32 -0.12 5.51 0.00 -0.46 -1.21 121.76 131.32 1u8e s ALA 576 Ca 0.04 -1.52 -0.16 0.00 0.00 0.00 0.00 51.96 50.32 1u8e s ALA 576 Cb -0.25 -1.71 0.04 0.00 0.00 0.00 0.00 23.12 21.20 1u8e s ALA 576 CO 0.04 -0.22 0.41 -1.12 0.00 0.00 0.00 175.76 174.87 1u8e s SER 577 N -4.27 -0.39 0.01 0.00 0.01 -0.63 0.63 113.70 109.06 1u8e s SER 577 Ca 0.51 0.65 0.01 0.00 1.31 0.00 0.00 55.95 58.43 1u8e s SER 577 Cb -0.10 0.70 -0.01 0.00 0.21 0.00 0.00 66.02 66.82 1u8e s SER 577 CO 0.33 -0.25 -0.05 0.12 0.41 0.00 0.00 173.24 173.80 1u8e s PHE 578 N -0.24 0.45 -0.34 2.43 5.36 -1.26 -1.53 117.98 122.84 1u8e s PHE 578 Ca -0.04 -0.25 -0.01 0.00 -0.96 0.00 0.00 56.93 55.67 1u8e s PHE 578 Cb -0.03 -0.28 0.08 0.00 -0.34 0.00 0.00 43.02 42.45 1u8e s PHE 578 CO 0.02 -0.05 0.07 -0.51 -1.46 0.00 0.00 175.22 173.29 1u8e s ASP 579 N -0.69 4.96 0.00 6.13 1.01 -0.81 -4.80 116.67 122.47 1u8e s ASP 579 Ca -0.04 -1.71 0.00 0.00 0.71 0.00 0.00 52.55 51.51 1u8e s ASP 579 Cb -0.05 -1.72 0.00 0.00 1.01 0.00 0.00 42.92 42.16 1u8e s ASP 579 CO -0.00 -0.37 0.00 0.61 0.21 0.00 0.00 175.17 175.62 1u8e n GLY 580 N 4.53 4.40 3.49 0.21 0.00 -1.26 -4.12 105.19 112.44 1u8e n GLY 580 Ca -0.06 -2.09 -0.54 0.00 0.00 0.00 0.00 46.02 43.33 1u8e n GLY 580 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u8e n ARG 581 N -0.17 0.24 0.00 1.61 3.00 -1.26 -1.11 116.66 118.97 1u8e n ARG 581 Ca 0.00 0.09 0.00 0.00 -0.01 0.00 0.00 57.85 57.93 1u8e n ARG 581 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 32.46 31.01 1u8e n ARG 581 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1u8e n GLY 582 N 1.77 2.50 3.58 -0.13 0.00 0.11 -4.00 105.19 109.02 1u8e n GLY 582 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1u8e n GLY 582 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1u8e n SER 583 N 0.00 -0.50 -4.55 1.61 7.64 -0.26 0.18 113.62 117.74 1u8e n SER 583 Ca 0.00 0.32 -0.22 0.00 1.01 0.00 0.00 58.87 59.98 1u8e n SER 583 Cb 0.00 -1.38 0.02 0.00 -1.01 0.00 0.00 64.21 61.84 1u8e n SER 583 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u8e n GLY 584 N 0.67 2.57 2.49 0.23 0.00 -0.70 -3.31 105.19 107.15 1u8e n GLY 584 Ca 0.09 -2.27 -0.21 0.00 0.00 0.00 0.00 46.02 43.64 1u8e n GLY 584 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1u8e n TYR 585 N -1.77 -0.56 -1.08 1.61 4.01 -1.26 -4.81 117.16 113.31 1u8e n TYR 585 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1u8e n TYR 585 Cb 0.55 -3.78 0.00 0.00 -0.31 0.00 0.00 39.34 35.81 1u8e n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1u8e n GLN 586 N -2.74 0.33 0.00 -0.72 6.02 -1.26 -4.56 117.38 114.45 1u8e n GLN 586 Ca -0.23 -0.74 0.00 0.00 -0.01 0.00 0.00 57.00 56.02 1u8e n GLN 586 Cb 0.69 -0.58 0.00 0.00 1.02 0.00 0.00 30.24 31.37 1u8e n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u8e n GLY 587 N -0.09 2.36 0.29 1.08 0.00 -1.26 -4.64 105.19 102.93 1u8e n GLY 587 Ca 0.00 -1.83 0.17 0.00 0.00 0.00 0.00 46.02 44.37 1u8e n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1u8e h ASP 588 N 0.00 0.00 -0.09 1.61 3.32 -0.64 -2.16 116.42 118.46 1u8e h ASP 588 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1u8e h ASP 588 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1u8e h ASP 588 CO 0.00 0.05 -0.11 0.50 -1.72 0.00 0.00 179.24 177.96 1u8e h LYS 589 N 0.00 0.41 0.00 3.56 3.64 -1.85 0.35 116.57 122.68 1u8e h LYS 589 Ca -0.00 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 1u8e h LYS 589 Cb 0.29 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1u8e h LYS 589 CO 0.01 0.53 -0.42 0.82 -2.27 0.00 0.00 179.45 178.11 1u8e h ILE 590 N 0.39 0.96 -0.51 2.00 1.08 -1.73 -3.33 117.51 116.37 1u8e h ILE 590 Ca 0.08 -1.86 -0.03 0.00 -0.39 0.00 0.00 64.86 62.66 1u8e h ILE 590 Cb 0.43 1.96 -0.02 0.00 -3.07 0.00 0.00 36.82 36.11 1u8e h ILE 590 CO 0.02 0.33 0.20 -0.03 -0.69 0.00 0.00 178.15 177.98 1u8e h MET 591 N -1.00 0.76 -0.06 2.37 4.05 -1.36 0.32 114.93 120.01 1u8e h MET 591 Ca -0.10 -0.14 0.00 0.00 -0.28 0.00 0.00 59.70 59.18 1u8e h MET 591 Cb 0.82 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.50 1u8e h MET 591 CO -0.06 0.68 0.00 0.72 0.23 0.00 0.00 176.91 178.48 1u8e n HIS 592 N -4.54 0.08 0.26 1.39 8.25 0.12 -4.05 115.22 116.72 1u8e n HIS 592 Ca 0.02 -0.04 0.09 0.00 -0.26 0.00 0.00 57.72 57.53 1u8e n HIS 592 Cb 0.16 0.00 0.67 0.00 1.12 0.00 0.00 29.99 31.93 1u8e n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u8e h ALA 593 N 3.78 1.83 -0.62 -1.41 0.00 -1.63 -1.61 119.26 119.61 1u8e h ALA 593 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1u8e h ALA 593 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1u8e h ALA 593 CO 0.00 0.05 0.00 0.44 0.00 0.00 0.00 179.25 179.74 1u8e n ILE 594 N -4.34 1.59 -1.71 0.00 -5.35 -1.26 -4.91 119.36 103.39 1u8e n ILE 594 Ca -0.03 -1.07 -0.43 0.00 -0.27 0.00 0.00 62.75 60.95 1u8e n ILE 594 Cb 0.12 0.14 -0.03 0.00 -1.74 0.00 0.00 39.64 38.14 1u8e n ILE 594 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1u8e n ASN 595 N 1.11 3.64 0.00 7.28 2.85 -0.61 -0.85 115.26 128.68 1u8e n ASN 595 Ca 0.24 1.10 0.00 0.00 -0.11 0.00 0.00 54.58 55.80 1u8e n ASN 595 Cb 0.80 -1.53 0.00 0.00 1.24 0.00 0.00 39.78 40.29 1u8e n ASN 595 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1u8e n ARG 596 N 3.19 -1.09 -2.60 1.20 1.74 0.38 -4.79 116.66 114.69 1u8e n ARG 596 Ca 0.14 0.27 -0.13 0.00 -0.77 0.00 0.00 57.85 57.35 1u8e n ARG 596 Cb 0.34 -4.74 0.02 0.00 -1.02 0.00 0.00 32.46 27.06 1u8e n ARG 596 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1u8e n ARG 597 N -0.36 1.93 -1.44 5.56 3.00 -0.03 -4.89 116.66 120.43 1u8e n ARG 597 Ca 0.00 -3.65 -0.34 0.00 -0.01 0.00 0.00 57.85 53.85 1u8e n ARG 597 Cb 0.27 -1.60 0.09 0.00 0.00 0.00 0.00 32.46 31.22 1u8e n ARG 597 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1u8e s LEU 598 N -3.33 3.30 -0.56 0.55 1.43 -1.18 -3.18 118.68 115.72 1u8e s LEU 598 Ca 0.34 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 55.74 1u8e s LEU 598 Cb 0.43 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 42.06 1u8e s LEU 598 CO -0.03 -2.23 0.00 0.61 0.23 0.00 0.00 176.35 174.94 1u8e n GLY 599 N 0.27 0.78 0.00 -3.19 0.00 -1.26 -4.87 105.19 96.92 1u8e n GLY 599 Ca 0.13 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1u8e n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1u8e n THR 600 N -2.85 0.00 -0.36 2.61 -2.24 -1.19 -4.76 114.28 105.49 1u8e n THR 600 Ca -0.05 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.77 1u8e n THR 600 Cb 0.17 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.60 1u8e n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1u8e h PHE 601 N 0.00 1.16 -0.10 4.78 0.04 -1.92 -0.75 116.94 120.15 1u8e h PHE 601 Ca 0.00 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 1u8e h PHE 601 Cb 0.00 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 37.77 1u8e h PHE 601 CO 0.00 0.53 -0.26 1.05 -0.60 0.00 0.00 178.31 179.03 1u8e h GLU 602 N 1.08 0.17 0.10 1.51 9.09 -1.91 0.65 114.58 125.27 1u8e h GLU 602 Ca 0.46 -0.05 -0.21 0.00 0.05 0.00 0.00 59.36 59.61 1u8e h GLU 602 Cb 0.32 -0.02 0.02 0.00 -1.65 0.00 0.00 28.75 27.42 1u8e h GLU 602 CO -0.22 0.42 -0.88 -0.24 0.05 0.00 0.00 179.01 178.15 1u8e h VAL 603 N 0.15 1.43 -0.49 -1.06 3.04 -1.65 -2.73 116.25 114.94 1u8e h VAL 603 Ca 0.02 -2.40 0.01 0.00 -1.01 0.00 0.00 66.70 63.32 1u8e h VAL 603 Cb 0.55 2.92 -0.02 0.00 -2.01 0.00 0.00 31.29 32.73 1u8e h VAL 603 CO 0.04 0.70 0.33 -0.33 -1.01 0.00 0.00 177.57 177.29 1u8e h GLU 604 N -0.14 0.65 -0.31 4.17 5.08 -0.99 -2.08 114.58 120.97 1u8e h GLU 604 Ca -0.14 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 1u8e h GLU 604 Cb 1.63 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.72 1u8e h GLU 604 CO 0.17 0.43 -0.09 -0.44 -1.00 0.00 0.00 179.01 178.08 1u8e h ASP 605 N 0.67 0.48 -0.45 1.42 3.32 -0.96 0.14 116.42 121.04 1u8e h ASP 605 Ca 0.18 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1u8e h ASP 605 Cb -0.07 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1u8e h ASP 605 CO -0.04 0.62 0.22 -0.61 -1.72 0.00 0.00 179.24 177.71 1u8e h GLN 606 N 0.47 0.68 0.01 3.56 5.75 -1.09 0.85 115.11 125.34 1u8e h GLN 606 Ca 0.09 -0.08 -0.26 0.00 -0.15 0.00 0.00 58.65 58.25 1u8e h GLN 606 Cb 0.45 -0.13 0.02 0.00 1.07 0.00 0.00 27.48 28.88 1u8e h GLN 606 CO 0.02 0.54 -1.03 0.82 -2.65 0.00 0.00 178.83 176.54 1u8e h ILE 607 N 0.69 1.32 -0.28 2.39 2.04 -0.57 -2.52 117.51 120.57 1u8e h ILE 607 Ca 0.17 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.70 1u8e h ILE 607 Cb 0.10 2.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 1u8e h ILE 607 CO -0.02 0.71 0.18 -0.08 0.00 0.00 0.00 178.15 178.94 1u8e h GLU 608 N 0.34 0.37 0.33 2.37 4.22 -0.20 0.85 114.58 122.85 1u8e h GLU 608 Ca -0.12 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.30 1u8e h GLU 608 Cb 1.68 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.82 1u8e h GLU 608 CO 0.20 0.26 -0.38 0.00 -2.18 0.00 0.00 179.01 176.90 1u8e h ALA 609 N 1.09 -0.80 -0.99 2.92 0.00 -0.86 -0.90 119.26 119.72 1u8e h ALA 609 Ca 0.10 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.06 1u8e h ALA 609 Cb -0.02 0.57 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 1u8e h ALA 609 CO -0.02 -0.99 0.62 0.00 0.00 0.00 0.00 179.25 178.85 1u8e h ALA 610 N -0.32 1.69 -0.41 0.00 0.00 -1.18 0.13 119.26 119.18 1u8e h ALA 610 Ca -0.02 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1u8e h ALA 610 Cb 0.69 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1u8e h ALA 610 CO -0.10 -0.01 0.25 -0.09 0.00 0.00 0.00 179.25 179.30 1u8e h ARG 611 N 0.80 0.49 -0.06 0.00 2.43 0.03 -0.74 114.38 117.32 1u8e h ARG 611 Ca 0.54 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.54 1u8e h ARG 611 Cb 0.80 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1u8e h ARG 611 CO -0.32 0.32 -0.60 1.96 -1.51 0.00 0.00 179.97 179.82 1u8e h GLN 612 N 0.50 0.22 -0.64 0.20 4.20 0.48 -3.03 115.11 117.04 1u8e h GLN 612 Ca 0.16 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 1u8e h GLN 612 Cb -0.00 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1u8e h GLN 612 CO -0.07 0.75 0.08 0.74 -0.67 0.00 0.00 178.83 179.67 1u8e h PHE 613 N 0.16 1.16 -0.44 2.96 0.04 -0.47 -2.93 116.94 117.41 1u8e h PHE 613 Ca -0.01 -0.17 0.04 0.00 2.80 0.00 0.00 57.97 60.63 1u8e h PHE 613 Cb 1.10 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.91 1u8e h PHE 613 CO 0.02 0.98 0.30 0.66 -0.60 0.00 0.00 178.31 179.67 1u8e h SER 614 N 1.00 0.38 0.48 2.17 4.64 -1.02 -1.29 113.55 119.91 1u8e h SER 614 Ca 0.19 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1u8e h SER 614 Cb 0.47 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1u8e h SER 614 CO 0.02 0.26 -0.05 0.29 -0.87 0.00 0.00 176.83 176.48 1u8e n LYS 615 N -4.48 0.52 0.31 4.77 5.02 -1.11 -4.15 118.16 119.04 1u8e n LYS 615 Ca 0.05 -0.08 0.19 0.00 -2.02 0.00 0.00 58.31 56.45 1u8e n LYS 615 Cb 0.18 -1.50 1.04 0.00 -0.02 0.00 0.00 35.03 34.73 1u8e n LYS 615 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1u8e h MET 616 N 0.20 0.00 0.00 1.97 2.86 -1.22 -3.46 114.93 115.28 1u8e h MET 616 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1u8e h MET 616 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1u8e h MET 616 CO 0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 1u8e n GLY 617 N -1.20 3.09 1.63 8.32 0.00 -1.26 -4.74 105.19 111.04 1u8e n GLY 617 Ca -0.02 -0.80 0.09 0.00 0.00 0.00 0.00 46.02 45.29 1u8e n GLY 617 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1u8e n PHE 618 N 0.00 1.55 -4.40 1.61 1.16 -1.26 -4.62 117.46 111.51 1u8e n PHE 618 Ca 0.00 -0.61 -0.33 0.00 -1.87 0.00 0.00 57.45 54.64 1u8e n PHE 618 Cb 0.00 -0.27 -0.16 0.00 -1.61 0.00 0.00 39.48 37.44 1u8e n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1u8e s VAL 619 N -1.93 2.12 -0.63 1.97 1.01 -1.26 -0.81 120.40 120.87 1u8e s VAL 619 Ca 0.52 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 61.29 1u8e s VAL 619 Cb 0.34 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.85 1u8e s VAL 619 CO 0.24 0.54 1.57 -0.62 0.00 0.00 0.00 175.10 176.83 1u8e s ASP 620 N 1.04 5.78 0.64 3.32 -1.08 0.22 -4.78 116.67 121.81 1u8e s ASP 620 Ca -0.01 0.10 0.42 0.00 -0.52 0.00 0.00 52.55 52.54 1u8e s ASP 620 Cb -0.14 -2.54 2.31 0.00 -1.46 0.00 0.00 42.92 41.08 1u8e s ASP 620 CO -0.07 -2.02 2.30 -0.55 0.52 0.00 0.00 175.17 175.35 1u8e h ASN 621 N 12.38 0.00 0.99 -0.34 -1.07 -1.87 -0.75 115.58 124.91 1u8e h ASN 621 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.10 1u8e h ASN 621 Cb 1.11 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.36 1u8e h ASN 621 CO 1.22 0.00 -0.34 0.29 0.07 0.00 0.00 177.43 178.67 1u8e n LYS 622 N -3.00 0.19 -3.49 4.14 5.02 -1.26 -4.41 118.16 115.36 1u8e n LYS 622 Ca -0.03 0.09 -0.27 0.00 -2.02 0.00 0.00 58.31 56.09 1u8e n LYS 622 Cb 0.07 -1.66 -0.09 0.00 -0.02 0.00 0.00 35.03 33.33 1u8e n LYS 622 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1u8e n ARG 623 N -1.96 1.58 -4.22 1.97 1.74 -0.29 -4.81 116.66 110.68 1u8e n ARG 623 Ca 0.05 -4.07 -0.32 0.00 -0.77 0.00 0.00 57.85 52.74 1u8e n ARG 623 Cb 0.40 -1.94 -0.16 0.00 -1.02 0.00 0.00 32.46 29.74 1u8e n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1u8e s ILE 624 N -1.54 1.85 0.50 0.55 1.01 -1.26 -1.92 121.20 120.40 1u8e s ILE 624 Ca 0.34 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 60.21 1u8e s ILE 624 Cb 0.09 -1.68 0.04 0.00 0.01 0.00 0.00 42.46 40.92 1u8e s ILE 624 CO -0.10 0.51 0.37 0.00 0.00 0.00 0.00 174.94 175.71 1u8e n ALA 625 N 4.53 0.77 -3.64 9.38 0.00 0.60 -0.87 120.51 131.28 1u8e n ALA 625 Ca -0.19 -2.02 -0.09 0.00 0.00 0.00 0.00 53.44 51.14 1u8e n ALA 625 Cb 0.50 0.84 -0.07 0.00 0.00 0.00 0.00 19.45 20.73 1u8e n ALA 625 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1u8e s ILE 626 N -2.50 0.00 0.11 0.00 2.07 -1.16 -0.92 121.20 118.80 1u8e s ILE 626 Ca 0.28 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.42 1u8e s ILE 626 Cb -0.02 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.57 1u8e s ILE 626 CO 0.18 0.00 0.23 -1.66 -1.91 0.00 0.00 174.94 171.77 1u8e s TRP 627 N 1.10 0.16 0.09 3.50 1.48 -0.88 -0.87 118.94 123.51 1u8e s TRP 627 Ca -0.06 -0.57 -0.27 0.00 -1.06 0.00 0.00 56.10 54.14 1u8e s TRP 627 Cb -0.05 -0.03 0.08 0.00 -1.16 0.00 0.00 33.47 32.32 1u8e s TRP 627 CO -0.12 -0.59 1.06 0.20 -4.06 0.00 0.00 176.95 173.44 1u8e s GLY 628 N -2.87 -0.30 0.10 3.67 0.00 -0.91 -1.53 107.32 105.48 1u8e s GLY 628 Ca 0.07 0.38 0.09 0.00 0.00 0.00 0.00 44.72 45.26 1u8e s GLY 628 CO -0.09 0.07 -0.22 0.86 0.00 0.00 0.00 173.10 173.71 1u8e s TRP 629 N -3.01 1.93 0.00 1.90 -0.11 -1.26 -1.78 118.94 116.60 1u8e s TRP 629 Ca 0.12 -0.41 0.00 0.00 1.22 0.00 0.00 56.10 57.04 1u8e s TRP 629 Cb 0.00 -1.06 0.00 0.00 -1.50 0.00 0.00 33.47 30.91 1u8e s TRP 629 CO -0.00 0.23 0.00 0.45 -4.62 0.00 0.00 176.95 173.00 1u8e n SER 630 N 1.13 0.00 -0.10 5.86 2.88 -0.19 0.92 113.62 124.11 1u8e n SER 630 Ca -0.19 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.50 1u8e n SER 630 Cb 0.53 0.00 0.54 0.00 -0.75 0.00 0.00 64.21 64.53 1u8e n SER 630 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1u8e h TYR 631 N 0.00 0.37 -0.43 0.66 5.03 -1.88 0.75 116.97 121.46 1u8e h TYR 631 Ca 0.00 0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.24 1u8e h TYR 631 Cb 0.00 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.14 1u8e h TYR 631 CO 0.00 0.15 -0.05 0.78 -1.32 0.00 0.00 178.16 177.72 1u8e h GLY 632 N 0.33 0.78 0.98 1.82 0.00 0.48 -0.53 103.07 106.94 1u8e h GLY 632 Ca 0.32 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1u8e h GLY 632 CO -0.08 0.50 0.27 -1.33 0.00 0.00 0.00 176.54 175.90 1u8e h GLY 633 N 0.96 0.69 0.93 4.60 0.00 0.68 0.41 103.07 111.34 1u8e h GLY 633 Ca 0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1u8e h GLY 633 CO 0.03 0.29 -0.19 -1.82 0.00 0.00 0.00 176.54 174.84 1u8e h TYR 634 N 0.62 -0.50 -0.80 5.60 3.20 -0.66 -0.23 116.97 124.20 1u8e h TYR 634 Ca 0.17 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1u8e h TYR 634 Cb 0.02 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 1u8e h TYR 634 CO -0.03 -0.30 0.48 0.28 -1.64 0.00 0.00 178.16 176.95 1u8e h VAL 635 N -0.49 1.23 -0.35 1.81 2.07 -0.88 0.11 116.25 119.74 1u8e h VAL 635 Ca -0.04 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 66.99 1u8e h VAL 635 Cb 0.40 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1u8e h VAL 635 CO 0.05 0.24 0.21 0.74 0.02 0.00 0.00 177.57 178.82 1u8e h THR 636 N 1.10 1.04 -0.67 2.57 2.02 0.05 0.85 112.91 119.87 1u8e h THR 636 Ca 0.29 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 67.28 1u8e h THR 636 Cb -0.03 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 1u8e h THR 636 CO -0.05 0.08 0.26 0.28 0.37 0.00 0.00 175.52 176.46 1u8e h SER 637 N 0.42 0.91 -0.20 4.18 0.02 -0.52 0.04 113.55 118.40 1u8e h SER 637 Ca 0.14 -0.13 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1u8e h SER 637 Cb -0.00 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 1u8e h SER 637 CO -0.06 0.82 -0.39 0.24 -1.14 0.00 0.00 176.83 176.30 1u8e h MET 638 N 0.98 0.74 0.09 3.45 2.86 -0.21 -1.83 114.93 121.01 1u8e h MET 638 Ca 0.23 -0.38 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1u8e h MET 638 Cb 0.20 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1u8e h MET 638 CO -0.02 1.00 -0.04 0.28 1.06 0.00 0.00 176.91 179.19 1u8e h VAL 639 N 0.61 1.09 -0.47 -2.22 2.07 -0.50 -2.71 116.25 114.12 1u8e h VAL 639 Ca 0.05 -0.70 0.12 0.00 0.82 0.00 0.00 66.70 66.99 1u8e h VAL 639 Cb 0.93 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1u8e h VAL 639 CO 0.09 0.17 0.33 -0.07 0.02 0.00 0.00 177.57 178.10 1u8e h LEU 640 N -0.45 0.09 -3.74 2.57 3.38 -0.94 -0.47 115.31 115.76 1u8e h LEU 640 Ca -0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 1u8e h LEU 640 Cb 0.37 -0.02 -0.13 0.00 0.09 0.00 0.00 40.66 40.98 1u8e h LEU 640 CO 0.02 0.05 0.27 0.61 0.09 0.00 0.00 178.44 179.49 1u8e n GLY 641 N -1.59 3.71 0.03 0.83 0.00 -0.69 -4.31 105.19 103.15 1u8e n GLY 641 Ca 0.08 -1.01 0.11 0.00 0.00 0.00 0.00 46.02 45.20 1u8e n GLY 641 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u8e n SER 642 N -0.19 0.53 -0.00 1.61 3.41 -0.18 -4.73 113.62 114.06 1u8e n SER 642 Ca 0.41 -0.27 -0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1u8e n SER 642 Cb 1.39 1.15 -0.00 0.00 -0.26 0.00 0.00 64.21 66.49 1u8e n SER 642 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u8e n GLY 643 N 1.35 0.43 0.34 5.00 0.00 -1.26 -4.94 105.19 106.11 1u8e n GLY 643 Ca 0.01 -0.65 0.02 0.00 0.00 0.00 0.00 46.02 45.40 1u8e n GLY 643 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1u8e h SER 644 N 0.00 0.75 0.00 1.61 0.02 -1.89 -3.46 113.55 110.58 1u8e h SER 644 Ca -0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1u8e h SER 644 Cb 0.00 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.36 1u8e h SER 644 CO 0.00 0.53 0.00 0.61 -1.14 0.00 0.00 176.83 176.83 1u8e n GLY 645 N -1.44 0.66 0.13 -3.77 0.00 -1.26 -4.85 105.19 94.66 1u8e n GLY 645 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 1u8e n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1u8e h VAL 646 N 0.00 1.42 -3.17 1.61 2.07 -1.96 -3.45 116.25 112.77 1u8e h VAL 646 Ca 0.00 -2.83 -0.62 0.00 0.82 0.00 0.00 66.70 64.07 1u8e h VAL 646 Cb 0.06 2.86 -0.12 0.00 -1.52 0.00 0.00 31.29 32.56 1u8e h VAL 646 CO 0.00 0.84 -0.51 -0.36 0.02 0.00 0.00 177.57 177.55 1u8e s PHE 647 N -2.78 3.39 -0.01 1.57 0.40 -1.26 -4.55 117.98 114.73 1u8e s PHE 647 Ca -0.06 0.29 -0.21 0.00 -0.60 0.00 0.00 56.93 56.35 1u8e s PHE 647 Cb 0.07 -2.09 -0.23 0.00 0.51 0.00 0.00 43.02 41.27 1u8e s PHE 647 CO 0.90 0.33 1.08 -0.22 0.70 0.00 0.00 175.22 178.01 1u8e h LYS 648 N 6.35 0.34 -4.47 0.44 3.64 -1.32 -3.46 116.57 118.08 1u8e h LYS 648 Ca -0.42 -0.36 -0.36 0.00 -1.27 0.00 0.00 60.65 58.23 1u8e h LYS 648 Cb 1.17 0.10 -0.10 0.00 -0.41 0.00 0.00 32.23 32.99 1u8e h LYS 648 CO 0.71 1.05 -0.33 0.00 -2.27 0.00 0.00 179.45 178.61 1u8e s GLY 650 N -3.30 -0.22 -0.10 0.00 0.00 -0.45 -2.97 107.32 100.28 1u8e s GLY 650 Ca 0.35 1.98 0.02 0.00 0.00 0.00 0.00 44.72 47.08 1u8e s GLY 650 CO 0.24 0.85 -0.17 -0.42 0.00 0.00 0.00 173.10 173.60 1u8e s ILE 651 N -1.63 1.58 -0.20 0.90 1.01 -0.05 -1.75 121.20 121.07 1u8e s ILE 651 Ca 0.04 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 59.97 1u8e s ILE 651 Cb -0.01 -1.42 0.02 0.00 0.01 0.00 0.00 42.46 41.06 1u8e s ILE 651 CO -0.03 0.46 -0.15 0.00 0.00 0.00 0.00 174.94 175.21 1u8e s ALA 652 N 0.77 2.47 -0.18 9.38 0.00 -0.42 -2.14 121.76 131.65 1u8e s ALA 652 Ca -0.11 -1.25 -0.04 0.00 0.00 0.00 0.00 51.96 50.56 1u8e s ALA 652 Cb -0.16 -1.35 -0.02 0.00 0.00 0.00 0.00 23.12 21.59 1u8e s ALA 652 CO 0.02 -0.44 -0.03 0.08 0.00 0.00 0.00 175.76 175.38 1u8e s VAL 653 N 1.32 3.76 -1.37 0.00 1.01 -0.74 -1.45 120.40 122.95 1u8e s VAL 653 Ca 0.04 -0.39 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 1u8e s VAL 653 Cb -0.14 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.59 1u8e s VAL 653 CO -0.10 0.46 0.38 0.00 0.00 0.00 0.00 175.10 175.85 1u8e n ALA 654 N 3.95 -2.30 -1.99 5.51 0.00 0.37 -1.02 120.51 125.02 1u8e n ALA 654 Ca -0.17 -0.47 -0.30 0.00 0.00 0.00 0.00 53.44 52.50 1u8e n ALA 654 Cb 0.52 -1.86 -0.00 0.00 0.00 0.00 0.00 19.45 18.11 1u8e n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1u8e s PRO 655 N -7.24 3.67 0.03 0.00 0.04 -1.26 -2.81 135.00 127.43 1u8e s PRO 655 Ca 0.24 0.63 -0.18 0.00 0.04 0.00 0.00 61.00 61.73 1u8e s PRO 655 Cb -0.13 -2.19 -0.06 0.00 0.04 0.00 0.00 34.50 32.16 1u8e s PRO 655 CO 0.97 -0.38 0.53 0.08 0.04 0.00 0.00 177.00 178.24 1u8e s VAL 656 N -2.90 4.86 -0.12 -0.36 1.01 -1.25 -4.49 120.40 117.15 1u8e s VAL 656 Ca 0.54 1.12 0.05 0.00 0.00 0.00 0.00 61.98 63.68 1u8e s VAL 656 Cb -0.11 -3.86 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 1u8e s VAL 656 CO 0.46 0.52 -0.05 -1.54 0.00 0.00 0.00 175.10 174.49 1u8e n SER 657 N 2.04 2.74 -3.72 3.32 3.41 -1.26 -4.20 113.62 115.95 1u8e n SER 657 Ca -0.10 -0.04 -0.12 0.00 -0.26 0.00 0.00 58.87 58.35 1u8e n SER 657 Cb 0.51 0.21 -0.12 0.00 -0.26 0.00 0.00 64.21 64.55 1u8e n SER 657 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u8e s ARG 658 N -2.26 0.26 0.57 4.33 1.70 -1.26 0.07 118.95 122.37 1u8e s ARG 658 Ca -0.12 0.60 0.27 0.00 -0.47 0.00 0.00 55.73 56.01 1u8e s ARG 658 Cb 0.04 -0.09 1.56 0.00 -0.57 0.00 0.00 34.95 35.89 1u8e s ARG 658 CO 0.36 -0.16 2.08 -1.49 -1.08 0.00 0.00 175.30 175.00 1u8e h TRP 659 N 7.15 0.00 0.00 5.89 4.06 -1.86 -0.11 115.95 131.08 1u8e h TRP 659 Ca -0.39 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.56 1u8e h TRP 659 Cb 1.16 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.32 1u8e h TRP 659 CO 0.33 0.00 0.00 0.39 -3.56 0.00 0.00 178.44 175.60 1u8e n GLU 660 N -3.98 0.11 0.08 0.49 1.02 -1.26 -1.26 120.64 115.85 1u8e n GLU 660 Ca 0.03 0.50 0.11 0.00 -0.02 0.00 0.00 57.16 57.79 1u8e n GLU 660 Cb 0.37 -1.80 0.01 0.00 -0.02 0.00 0.00 31.44 30.01 1u8e n GLU 660 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1u8e n TYR 661 N -2.03 0.77 -2.23 -0.32 4.01 -0.05 -3.90 117.16 113.41 1u8e n TYR 661 Ca 0.00 0.22 -0.27 0.00 -0.16 0.00 0.00 57.90 57.70 1u8e n TYR 661 Cb 0.10 -0.83 0.05 0.00 -0.31 0.00 0.00 39.34 38.35 1u8e n TYR 661 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1u8e s TYR 662 N -3.33 3.17 0.67 -0.72 5.04 -0.39 -4.83 117.35 116.96 1u8e s TYR 662 Ca 0.00 0.68 -0.17 0.00 -2.44 0.00 0.00 57.07 55.14 1u8e s TYR 662 Cb 0.11 -2.95 0.00 0.00 0.35 0.00 0.00 41.96 39.48 1u8e s TYR 662 CO 0.79 -1.08 1.21 0.16 -1.34 0.00 0.00 175.55 175.29 1u8e s ASP 663 N -4.38 4.66 0.06 4.32 1.47 -1.26 -1.07 116.67 120.48 1u8e s ASP 663 Ca 0.57 2.37 -0.26 0.00 1.18 0.00 0.00 52.55 56.40 1u8e s ASP 663 Cb -0.11 -2.59 -0.17 0.00 -0.34 0.00 0.00 42.92 39.71 1u8e s ASP 663 CO 0.46 -1.95 1.60 0.77 0.68 0.00 0.00 175.17 176.74 1u8e h SER 664 N 0.24 -0.24 -0.51 2.11 4.64 -0.40 -2.12 113.55 117.26 1u8e h SER 664 Ca -0.49 -0.06 0.10 0.00 -0.47 0.00 0.00 61.79 60.87 1u8e h SER 664 Cb 1.30 0.06 -0.09 0.00 -0.31 0.00 0.00 62.40 63.36 1u8e h SER 664 CO 0.52 -0.09 -0.01 0.58 -0.87 0.00 0.00 176.83 176.96 1u8e h VAL 665 N -0.37 0.58 0.19 0.95 2.07 -1.93 0.20 116.25 117.94 1u8e h VAL 665 Ca -0.03 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1u8e h VAL 665 Cb 0.28 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1u8e h VAL 665 CO 0.05 0.02 -0.09 0.22 0.02 0.00 0.00 177.57 177.79 1u8e h TYR 666 N 0.11 -0.23 0.12 1.57 5.03 -1.92 -3.13 116.97 118.52 1u8e h TYR 666 Ca 0.26 -0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.58 1u8e h TYR 666 Cb 0.40 0.08 -0.04 0.00 1.55 0.00 0.00 36.73 38.72 1u8e h TYR 666 CO -0.33 0.07 -0.29 1.15 -1.32 0.00 0.00 178.16 177.44 1u8e h THR 667 N -0.99 0.38 -0.62 1.81 2.02 -1.33 -2.80 112.91 111.38 1u8e h THR 667 Ca -0.03 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.17 1u8e h THR 667 Cb 0.40 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 1u8e h THR 667 CO 0.04 0.00 0.41 -0.33 0.37 0.00 0.00 175.52 176.01 1u8e h GLU 668 N -0.50 0.76 -0.96 6.66 5.08 -0.78 0.10 114.58 124.94 1u8e h GLU 668 Ca 0.03 -0.05 0.24 0.00 -1.00 0.00 0.00 59.36 58.58 1u8e h GLU 668 Cb 0.53 -0.17 -0.12 0.00 0.50 0.00 0.00 28.75 29.49 1u8e h GLU 668 CO -0.17 0.50 0.51 -0.09 -1.00 0.00 0.00 179.01 178.77 1u8e h ARG 669 N 0.78 0.49 0.00 2.33 2.43 -1.43 0.33 114.38 119.31 1u8e h ARG 669 Ca 0.24 -0.03 -0.19 0.00 -0.81 0.00 0.00 59.98 59.19 1u8e h ARG 669 Cb -0.00 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 1u8e h ARG 669 CO -0.06 0.32 -2.00 0.66 -1.51 0.00 0.00 179.97 177.38 1u8e n TYR 670 N -4.95 0.00 0.78 2.20 4.01 -0.96 -4.64 117.16 113.59 1u8e n TYR 670 Ca 0.25 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 58.07 1u8e n TYR 670 Cb 0.71 -0.66 -0.09 0.00 -0.31 0.00 0.00 39.34 38.98 1u8e n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1u8e n MET 671 N -2.43 1.57 0.00 -0.72 2.81 0.32 0.14 117.12 118.81 1u8e n MET 671 Ca -0.18 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.70 1u8e n MET 671 Cb 0.83 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 32.06 1u8e n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u8e n GLY 672 N 1.39 -0.92 3.87 3.03 0.00 0.12 -4.66 105.19 108.01 1u8e n GLY 672 Ca 0.03 -1.19 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 1u8e n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u8e s LEU 673 N 0.00 4.40 -0.71 0.99 1.02 -1.26 -4.31 118.68 118.80 1u8e s LEU 673 Ca 0.00 0.70 -0.07 0.00 0.02 0.00 0.00 54.13 54.78 1u8e s LEU 673 Cb 0.00 -2.62 -0.16 0.00 0.02 0.00 0.00 46.19 43.43 1u8e s LEU 673 CO 0.00 0.28 3.02 -0.81 0.02 0.00 0.00 176.35 178.86 1u8e n PRO 674 N 1.39 2.52 -4.39 1.29 -0.04 -1.26 -2.04 135.00 132.47 1u8e n PRO 674 Ca -0.13 -1.44 -0.28 0.00 -0.04 0.00 0.00 63.50 61.62 1u8e n PRO 674 Cb 0.53 -2.32 -0.12 0.00 -0.04 0.00 0.00 33.50 31.55 1u8e n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1u8e s THR 675 N 1.85 2.45 0.40 0.52 -4.23 -1.26 -4.62 115.64 110.75 1u8e s THR 675 Ca 0.61 -1.89 0.07 0.00 -1.18 0.00 0.00 61.69 59.30 1u8e s THR 675 Cb 0.22 -2.15 0.24 0.00 1.34 0.00 0.00 72.50 72.15 1u8e s THR 675 CO -0.03 -0.05 2.02 1.55 -0.54 0.00 0.00 174.62 177.57 1u8e h PRO 676 N 3.38 0.48 0.00 3.99 0.13 -1.96 -0.24 132.00 137.79 1u8e h PRO 676 Ca -0.48 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.58 1u8e h PRO 676 Cb 1.20 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1u8e h PRO 676 CO 0.46 0.38 -0.09 0.93 -0.23 0.00 0.00 178.00 179.45 1u8e h GLU 677 N 0.49 0.00 0.00 0.86 3.07 -1.96 -3.43 114.58 113.62 1u8e h GLU 677 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1u8e h GLU 677 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1u8e h GLU 677 CO -0.02 0.09 0.00 -3.47 -1.40 0.00 0.00 179.01 174.21 1u8e n ASP 678 N -3.38 0.00 -0.60 1.42 -0.08 -0.23 -5.02 116.55 108.66 1u8e n ASP 678 Ca -0.01 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.33 1u8e n ASP 678 Cb 0.26 0.00 0.15 0.00 2.34 0.00 0.00 41.12 43.87 1u8e n ASP 678 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1u8e n ASN 679 N 0.00 1.64 -0.31 1.67 4.05 -0.87 -4.82 115.26 116.62 1u8e n ASN 679 Ca 0.00 -3.28 0.00 0.00 0.45 0.00 0.00 54.58 51.75 1u8e n ASN 679 Cb 0.00 -0.45 0.13 0.00 1.23 0.00 0.00 39.78 40.70 1u8e n ASN 679 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 1u8e h LEU 680 N 0.68 0.83 -0.06 1.20 5.85 -1.32 -2.48 115.31 120.01 1u8e h LEU 680 Ca -0.04 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.74 1u8e h LEU 680 Cb 1.17 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 1u8e h LEU 680 CO 0.02 0.54 -0.33 0.44 -0.34 0.00 0.00 178.44 178.77 1u8e h ASP 681 N 0.97 -1.00 0.50 1.25 3.32 -1.88 -1.07 116.42 118.52 1u8e h ASP 681 Ca 0.36 0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.51 1u8e h ASP 681 Cb 0.15 0.41 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1u8e h ASP 681 CO -0.16 -0.38 -0.19 -0.74 -1.72 0.00 0.00 179.24 176.04 1u8e h HIS 682 N -0.44 0.00 -0.57 4.55 2.76 -1.89 -0.98 115.15 118.58 1u8e h HIS 682 Ca 0.08 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.22 1u8e h HIS 682 Cb 0.56 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.49 1u8e h HIS 682 CO -0.38 0.19 0.25 1.88 -1.30 0.00 0.00 177.93 178.57 1u8e h TYR 683 N 0.00 0.84 -0.04 5.26 0.05 -0.83 -2.30 116.97 119.96 1u8e h TYR 683 Ca -0.00 -0.05 -0.17 0.00 0.05 0.00 0.00 58.73 58.55 1u8e h TYR 683 Cb 0.50 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 1u8e h TYR 683 CO 0.00 0.67 -0.73 0.00 -1.05 0.00 0.00 178.16 177.05 1u8e h ARG 684 N 0.77 0.23 -0.00 4.88 2.47 -0.44 -3.24 114.38 119.05 1u8e h ARG 684 Ca 0.19 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1u8e h ARG 684 Cb 0.16 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1u8e h ARG 684 CO -0.02 0.86 -0.09 0.09 0.56 0.00 0.00 179.97 181.37 1u8e n ASN 685 N -3.78 0.13 -1.38 7.04 4.13 -0.45 -4.00 115.26 116.96 1u8e n ASN 685 Ca -0.03 0.17 -0.07 0.00 1.68 0.00 0.00 54.58 56.32 1u8e n ASN 685 Cb 0.70 -0.30 0.20 0.00 -1.54 0.00 0.00 39.78 38.84 1u8e n ASN 685 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1u8e n SER 686 N -1.41 2.83 -4.91 6.41 3.41 -0.88 -5.01 113.62 114.07 1u8e n SER 686 Ca 0.09 -3.70 -0.27 0.00 -0.26 0.00 0.00 58.87 54.73 1u8e n SER 686 Cb 0.32 -0.67 -0.02 0.00 -0.26 0.00 0.00 64.21 63.58 1u8e n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1u8e s THR 687 N -3.23 4.99 0.07 6.66 -4.23 -1.26 -4.78 115.64 113.86 1u8e s THR 687 Ca 0.47 -0.01 -0.14 0.00 -1.18 0.00 0.00 61.69 60.83 1u8e s THR 687 Cb 0.42 -3.82 -0.23 0.00 1.34 0.00 0.00 72.50 70.21 1u8e s THR 687 CO 0.03 -0.59 1.19 0.58 -0.54 0.00 0.00 174.62 175.28 1u8e h VAL 688 N 0.77 1.29 -0.56 2.29 2.07 -0.69 -3.28 116.25 118.13 1u8e h VAL 688 Ca -0.48 -2.22 0.09 0.00 0.82 0.00 0.00 66.70 64.91 1u8e h VAL 688 Cb 1.20 2.39 -0.03 0.00 -1.52 0.00 0.00 31.29 33.33 1u8e h VAL 688 CO 0.63 0.69 0.38 0.00 0.02 0.00 0.00 177.57 179.29 1u8e h MET 689 N 0.36 0.37 0.00 1.57 -0.00 -1.89 0.51 114.93 115.85 1u8e h MET 689 Ca -0.12 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.55 1u8e h MET 689 Cb 1.66 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 33.18 1u8e h MET 689 CO 0.20 0.25 0.00 0.66 -0.00 0.00 0.00 176.91 178.01 1u8e h SER 690 N 0.38 0.00 -0.46 -0.10 4.64 -1.93 -1.79 113.55 114.28 1u8e h SER 690 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1u8e h SER 690 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1u8e h SER 690 CO -0.07 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.43 1u8e n ARG 691 N -2.77 2.50 -0.39 4.77 1.74 0.17 -4.73 116.66 117.96 1u8e n ARG 691 Ca -0.02 -2.31 -0.06 0.00 -0.77 0.00 0.00 57.85 54.70 1u8e n ARG 691 Cb 0.09 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 1u8e n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1u8e n ALA 692 N 1.37 -0.38 -0.33 7.54 0.00 -0.68 -0.90 120.51 127.13 1u8e n ALA 692 Ca 0.19 0.90 0.28 0.00 0.00 0.00 0.00 53.44 54.81 1u8e n ALA 692 Cb 0.57 -0.28 0.60 0.00 0.00 0.00 0.00 19.45 20.33 1u8e n ALA 692 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1u8e h GLU 693 N 0.00 0.24 0.00 0.00 4.57 -1.85 0.18 114.58 117.72 1u8e h GLU 693 Ca 0.25 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 1u8e h GLU 693 Cb 0.49 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1u8e h GLU 693 CO -0.94 0.16 0.00 0.09 -1.18 0.00 0.00 179.01 177.13 1u8e n ASN 694 N -4.50 0.58 0.00 1.04 5.03 -0.08 -2.92 115.26 114.42 1u8e n ASN 694 Ca 0.26 0.62 0.10 0.00 0.87 0.00 0.00 54.58 56.44 1u8e n ASN 694 Cb 1.04 -0.75 0.49 0.00 -1.02 0.00 0.00 39.78 39.54 1u8e n ASN 694 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1u8e n PHE 695 N -2.12 0.00 0.26 3.10 3.01 0.64 -3.23 117.46 119.13 1u8e n PHE 695 Ca 0.03 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.60 1u8e n PHE 695 Cb 0.25 -0.37 0.68 0.00 -0.01 0.00 0.00 39.48 40.04 1u8e n PHE 695 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1u8e h LYS 696 N 0.00 0.00 -0.02 -1.08 1.57 -1.70 -2.55 116.57 112.78 1u8e h LYS 696 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1u8e h LYS 696 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1u8e h LYS 696 CO 0.00 0.12 0.00 1.04 -0.57 0.00 0.00 179.45 180.04 1u8e n GLN 697 N -3.87 1.37 -4.25 3.15 1.13 -1.20 -4.93 117.38 108.78 1u8e n GLN 697 Ca -0.02 -0.54 -0.14 0.00 -1.94 0.00 0.00 57.00 54.36 1u8e n GLN 697 Cb 0.22 -1.46 -0.10 0.00 0.11 0.00 0.00 30.24 29.01 1u8e n GLN 697 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1u8e s VAL 698 N -1.98 0.21 -0.38 5.09 -7.23 -0.96 -4.96 120.40 110.19 1u8e s VAL 698 Ca 0.40 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.46 1u8e s VAL 698 Cb 0.20 -2.55 0.02 0.00 0.56 0.00 0.00 36.38 34.62 1u8e s VAL 698 CO 0.33 0.00 0.22 -1.61 -0.31 0.00 0.00 175.10 173.73 1u8e s GLU 699 N -4.08 2.90 -0.04 4.82 2.02 -0.94 -5.00 118.70 118.37 1u8e s GLU 699 Ca 0.38 -1.04 0.01 0.00 0.02 0.00 0.00 54.97 54.34 1u8e s GLU 699 Cb 0.07 -3.77 -0.03 0.00 0.10 0.00 0.00 34.13 30.50 1u8e s GLU 699 CO 0.13 -0.69 -0.02 -0.47 0.02 0.00 0.00 175.26 174.23 1u8e s TYR 700 N 1.58 3.04 -0.12 1.61 5.04 -1.26 -1.34 117.35 125.91 1u8e s TYR 700 Ca 0.03 0.09 0.01 0.00 -2.44 0.00 0.00 57.07 54.75 1u8e s TYR 700 Cb -0.19 -1.71 0.02 0.00 0.35 0.00 0.00 41.96 40.43 1u8e s TYR 700 CO 0.07 0.42 -0.13 -1.17 -1.34 0.00 0.00 175.55 173.40 1u8e s LEU 701 N -1.15 1.61 -0.16 6.97 0.20 -0.72 -0.36 118.68 125.06 1u8e s LEU 701 Ca 0.16 -0.41 -0.01 0.00 0.69 0.00 0.00 54.13 54.55 1u8e s LEU 701 Cb -0.11 -1.04 -0.01 0.00 -0.43 0.00 0.00 46.19 44.59 1u8e s LEU 701 CO 0.05 -0.03 -0.10 -0.22 -0.29 0.00 0.00 176.35 175.77 1u8e s LEU 702 N 1.21 2.77 0.02 -0.68 0.20 -0.45 -1.30 118.68 120.45 1u8e s LEU 702 Ca -0.02 -0.36 0.04 0.00 0.69 0.00 0.00 54.13 54.48 1u8e s LEU 702 Cb -0.14 -1.65 -0.02 0.00 -0.43 0.00 0.00 46.19 43.95 1u8e s LEU 702 CO -0.05 0.09 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.36 1u8e s ILE 703 N 0.78 0.91 -0.28 6.68 1.01 -0.53 -1.43 121.20 128.34 1u8e s ILE 703 Ca -0.04 -0.75 -0.23 0.00 0.00 0.00 0.00 60.65 59.63 1u8e s ILE 703 Cb -0.15 -0.81 0.10 0.00 0.01 0.00 0.00 42.46 41.60 1u8e s ILE 703 CO 0.01 0.07 0.87 -2.28 0.00 0.00 0.00 174.94 173.61 1u8e s HIS 704 N -0.62 -0.67 0.08 3.97 2.46 -1.05 -0.48 115.29 118.98 1u8e s HIS 704 Ca 0.01 1.57 -0.28 0.00 0.47 0.00 0.00 55.06 56.83 1u8e s HIS 704 Cb -0.06 0.35 -0.05 0.00 -0.13 0.00 0.00 32.58 32.69 1u8e s HIS 704 CO 0.00 -0.32 0.89 0.20 -2.47 0.00 0.00 174.74 173.04 1u8e s GLY 705 N 0.53 2.92 0.45 1.59 0.00 -1.26 -1.72 107.32 109.82 1u8e s GLY 705 Ca -0.01 0.47 0.22 0.00 0.00 0.00 0.00 44.72 45.40 1u8e s GLY 705 CO -0.06 1.34 1.91 -0.91 0.00 0.00 0.00 173.10 175.38 1u8e h THR 706 N 4.12 0.78 -0.98 0.90 1.35 -1.01 -2.81 112.91 115.26 1u8e h THR 706 Ca -0.43 -0.99 -0.59 0.00 -0.55 0.00 0.00 66.41 63.85 1u8e h THR 706 Cb 1.21 1.60 -0.30 0.00 -1.73 0.00 0.00 68.15 68.94 1u8e h THR 706 CO 0.72 0.24 0.73 0.00 -0.25 0.00 0.00 175.52 176.95 1u8e n ALA 707 N -2.32 5.93 -2.46 6.62 0.00 -0.59 -4.68 120.51 123.01 1u8e n ALA 707 Ca -0.01 -3.20 -0.43 0.00 0.00 0.00 0.00 53.44 49.80 1u8e n ALA 707 Cb 0.36 -1.58 -0.02 0.00 0.00 0.00 0.00 19.45 18.21 1u8e n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1u8e s ASP 708 N -1.61 6.47 0.03 0.00 -1.08 -1.06 -4.09 116.67 115.32 1u8e s ASP 708 Ca 0.60 0.68 0.26 0.00 -0.52 0.00 0.00 52.55 53.58 1u8e s ASP 708 Cb 0.49 -2.54 0.73 0.00 -1.46 0.00 0.00 42.92 40.14 1u8e s ASP 708 CO 0.05 -1.35 1.58 -0.90 0.52 0.00 0.00 175.17 175.07 1u8e n ASP 709 N 8.38 0.39 0.00 -0.34 5.75 -1.26 -3.89 116.55 125.58 1u8e n ASP 709 Ca 0.15 0.09 0.00 0.00 -0.01 0.00 0.00 54.79 55.01 1u8e n ASP 709 Cb 0.48 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 1u8e n ASP 709 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1u8e n ASN 710 N -1.63 0.00 -4.33 -1.12 4.05 -1.26 -4.73 115.26 106.24 1u8e n ASN 710 Ca 0.06 0.05 -0.46 0.00 0.45 0.00 0.00 54.58 54.68 1u8e n ASN 710 Cb 0.36 -0.19 -0.04 0.00 1.23 0.00 0.00 39.78 41.14 1u8e n ASN 710 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1u8e s VAL 711 N -0.37 5.16 0.34 3.44 1.01 -1.26 -4.82 120.40 123.90 1u8e s VAL 711 Ca 0.00 -1.51 -0.27 0.00 0.00 0.00 0.00 61.98 60.20 1u8e s VAL 711 Cb 0.00 -4.41 -0.13 0.00 0.00 0.00 0.00 36.38 31.85 1u8e s VAL 711 CO 0.00 -0.97 1.05 1.41 0.00 0.00 0.00 175.10 176.59 1u8e n HIS 712 N 5.37 1.40 -0.14 5.22 8.25 -1.25 -4.75 115.22 129.32 1u8e n HIS 712 Ca -0.08 0.63 0.25 0.00 -0.26 0.00 0.00 57.72 58.25 1u8e n HIS 712 Cb 0.42 -2.27 0.68 0.00 1.12 0.00 0.00 29.99 29.94 1u8e n HIS 712 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1u8e h PHE 713 N 1.93 0.09 -1.14 4.41 3.57 -1.78 0.19 116.94 124.21 1u8e h PHE 713 Ca -0.42 0.00 0.32 0.00 3.53 0.00 0.00 57.97 61.40 1u8e h PHE 713 Cb 1.33 -0.03 -0.10 0.00 2.79 0.00 0.00 35.95 39.94 1u8e h PHE 713 CO 0.47 0.03 0.74 0.37 -2.23 0.00 0.00 178.31 177.69 1u8e h GLN 714 N 0.07 0.26 -0.56 1.11 4.15 -1.93 -1.29 115.11 116.91 1u8e h GLN 714 Ca 0.38 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.74 1u8e h GLN 714 Cb 1.42 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 29.03 1u8e h GLN 714 CO -0.03 0.17 0.18 1.96 -1.93 0.00 0.00 178.83 179.17 1u8e h GLN 715 N 0.26 0.87 0.00 1.69 4.20 -0.93 -1.85 115.11 119.35 1u8e h GLN 715 Ca 0.66 -0.19 -0.12 0.00 0.06 0.00 0.00 58.65 59.06 1u8e h GLN 715 Cb 1.90 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 29.54 1u8e h GLN 715 CO -0.30 0.79 -0.58 0.77 -0.67 0.00 0.00 178.83 178.83 1u8e h SER 716 N 0.78 0.00 -0.28 1.46 0.02 -1.43 -2.96 113.55 111.13 1u8e h SER 716 Ca 0.18 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 1u8e h SER 716 Cb 0.28 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1u8e h SER 716 CO -0.01 0.58 -0.06 0.00 -1.14 0.00 0.00 176.83 176.21 1u8e h ALA 717 N 1.42 1.17 0.00 3.77 0.00 -1.05 -0.76 119.26 123.80 1u8e h ALA 717 Ca -0.01 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1u8e h ALA 717 Cb 1.39 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1u8e h ALA 717 CO 0.08 0.53 -0.28 1.96 0.00 0.00 0.00 179.25 181.54 1u8e h GLN 718 N 0.61 0.00 0.05 0.00 1.08 -1.28 -2.24 115.11 113.33 1u8e h GLN 718 Ca 0.12 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.13 1u8e h GLN 718 Cb 0.47 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.92 1u8e h GLN 718 CO 0.02 0.28 -0.76 0.82 -0.95 0.00 0.00 178.83 178.24 1u8e h ILE 719 N 0.00 1.43 -0.41 2.54 2.04 -1.18 -2.81 117.51 119.11 1u8e h ILE 719 Ca -0.00 -2.26 -0.02 0.00 1.00 0.00 0.00 64.86 63.58 1u8e h ILE 719 Cb 0.98 2.77 -0.02 0.00 -0.74 0.00 0.00 36.82 39.81 1u8e h ILE 719 CO 0.04 0.66 0.19 0.77 0.00 0.00 0.00 178.15 179.81 1u8e h SER 720 N -0.11 0.54 -0.67 1.72 4.64 -1.16 -1.92 113.55 116.59 1u8e h SER 720 Ca -0.11 -0.13 0.03 0.00 -0.47 0.00 0.00 61.79 61.11 1u8e h SER 720 Cb 1.50 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 63.41 1u8e h SER 720 CO 0.15 0.52 0.44 0.50 -0.87 0.00 0.00 176.83 177.56 1u8e h LYS 721 N 0.52 0.81 -0.02 4.77 3.64 -1.47 -0.18 116.57 124.63 1u8e h LYS 721 Ca 0.14 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.30 1u8e h LYS 721 Cb 0.12 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1u8e h LYS 721 CO -0.02 0.53 -0.77 0.00 -2.27 0.00 0.00 179.45 176.93 1u8e h ALA 722 N 1.60 0.68 -0.21 5.00 0.00 -1.21 -1.63 119.26 123.48 1u8e h ALA 722 Ca 0.26 -0.66 -0.15 0.00 0.00 0.00 0.00 54.91 54.35 1u8e h ALA 722 Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1u8e h ALA 722 CO -0.07 0.87 -0.47 -0.07 0.00 0.00 0.00 179.25 179.51 1u8e h LEU 723 N 0.10 0.78 -0.40 0.00 3.38 -0.55 -2.82 115.31 115.80 1u8e h LEU 723 Ca -0.02 -0.56 0.01 0.00 0.09 0.00 0.00 57.88 57.40 1u8e h LEU 723 Cb 1.35 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1u8e h LEU 723 CO 0.11 1.19 0.25 0.58 0.09 0.00 0.00 178.44 180.66 1u8e h VAL 724 N 0.40 1.06 0.00 1.22 2.07 -1.01 0.84 116.25 120.83 1u8e h VAL 724 Ca 0.00 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1u8e h VAL 724 Cb 1.08 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1u8e h VAL 724 CO 0.10 0.09 -0.02 0.44 0.02 0.00 0.00 177.57 178.20 1u8e h ASP 725 N 0.50 0.00 -0.02 0.57 3.32 -1.25 -0.85 116.42 118.68 1u8e h ASP 725 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1u8e h ASP 725 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1u8e h ASP 725 CO -0.06 0.02 -0.13 0.52 -1.72 0.00 0.00 179.24 177.87 1u8e n VAL 726 N -3.45 0.00 -2.73 -1.35 0.31 -0.80 -4.99 118.33 105.32 1u8e n VAL 726 Ca -0.03 -0.44 -0.07 0.00 -0.01 0.00 0.00 64.34 63.80 1u8e n VAL 726 Cb 0.12 1.34 0.02 0.00 -0.91 0.00 0.00 33.84 34.40 1u8e n VAL 726 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u8e n GLY 727 N 1.13 0.45 3.55 2.92 0.00 -0.13 -4.94 105.19 108.16 1u8e n GLY 727 Ca 0.10 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 1u8e n GLY 727 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u8e s VAL 728 N -2.99 4.64 0.22 1.61 1.01 0.10 -5.01 120.40 119.99 1u8e s VAL 728 Ca 0.15 -0.07 -0.19 0.00 0.00 0.00 0.00 61.98 61.87 1u8e s VAL 728 Cb -0.07 -3.14 -0.08 0.00 0.00 0.00 0.00 36.38 33.10 1u8e s VAL 728 CO 0.19 0.39 0.71 -0.62 0.00 0.00 0.00 175.10 175.76 1u8e s ASP 729 N 1.04 7.04 0.29 3.32 2.15 -1.26 -4.39 116.67 124.85 1u8e s ASP 729 Ca 0.04 1.39 -0.15 0.00 0.43 0.00 0.00 52.55 54.27 1u8e s ASP 729 Cb -0.14 -2.41 0.01 0.00 -0.30 0.00 0.00 42.92 40.08 1u8e s ASP 729 CO 0.03 0.04 0.60 0.72 -0.17 0.00 0.00 175.17 176.38 1u8e s PHE 730 N -1.52 0.22 -0.03 -5.34 -0.71 -1.26 -4.76 117.98 104.59 1u8e s PHE 730 Ca 0.43 -0.65 -0.03 0.00 -1.04 0.00 0.00 56.93 55.64 1u8e s PHE 730 Cb -0.16 0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 42.02 1u8e s PHE 730 CO 0.21 -1.17 0.16 -0.65 -1.34 0.00 0.00 175.22 172.44 1u8e s GLN 731 N -3.66 3.39 0.08 1.99 -1.52 0.51 -5.02 119.66 115.43 1u8e s GLN 731 Ca 0.19 -0.31 -0.01 0.00 -1.95 0.00 0.00 55.36 53.28 1u8e s GLN 731 Cb -0.03 -3.08 -0.04 0.00 -0.22 0.00 0.00 33.01 29.64 1u8e s GLN 731 CO 0.10 0.69 0.01 0.00 -0.25 0.00 0.00 175.29 175.83 1u8e s ALA 732 N -1.26 0.61 -0.30 6.09 0.00 -1.26 -1.34 121.76 124.30 1u8e s ALA 732 Ca 0.25 -1.28 -0.13 0.00 0.00 0.00 0.00 51.96 50.79 1u8e s ALA 732 Cb -0.12 0.48 0.15 0.00 0.00 0.00 0.00 23.12 23.63 1u8e s ALA 732 CO 0.16 -0.42 0.85 1.41 0.00 0.00 0.00 175.76 177.76 1u8e s MET 733 N -3.96 0.42 0.28 0.00 0.00 -0.52 -4.92 119.30 110.60 1u8e s MET 733 Ca 0.13 1.02 0.07 0.00 0.00 0.00 0.00 55.69 56.91 1u8e s MET 733 Cb 0.08 0.56 -0.03 0.00 0.00 0.00 0.00 34.83 35.44 1u8e s MET 733 CO -0.06 -0.14 0.24 1.67 0.00 0.00 0.00 175.02 176.73 1u8e s TRP 734 N 2.50 3.07 -0.30 4.11 -2.14 -1.26 -2.53 118.94 122.39 1u8e s TRP 734 Ca -0.05 -0.16 -0.01 0.00 2.66 0.00 0.00 56.10 58.54 1u8e s TRP 734 Cb -0.08 -1.54 0.10 0.00 -3.10 0.00 0.00 33.47 28.85 1u8e s TRP 734 CO -0.18 0.41 0.09 0.71 -2.66 0.00 0.00 176.95 175.32 1u8e s TYR 735 N -2.18 1.63 0.26 1.66 2.02 -0.70 -4.91 117.35 115.13 1u8e s TYR 735 Ca 0.36 -1.66 -0.30 0.00 -0.37 0.00 0.00 57.07 55.09 1u8e s TYR 735 Cb -0.07 -1.65 -0.11 0.00 -0.40 0.00 0.00 41.96 39.73 1u8e s TYR 735 CO 0.26 -0.86 1.56 -0.08 -1.57 0.00 0.00 175.55 174.86 1u8e s THR 736 N 1.64 2.27 -0.38 -0.71 -1.32 -1.26 -1.03 115.64 114.85 1u8e s THR 736 Ca 0.09 0.22 0.00 0.00 -1.21 0.00 0.00 61.69 60.79 1u8e s THR 736 Cb -0.17 -3.14 0.00 0.00 -1.51 0.00 0.00 72.50 67.68 1u8e s THR 736 CO -0.25 0.03 0.00 0.47 -2.21 0.00 0.00 174.62 172.66 1u8e n ASP 737 N 2.56 -5.09 -4.85 8.08 9.92 -1.26 -4.85 116.55 121.05 1u8e n ASP 737 Ca 0.09 0.09 -0.37 0.00 -0.53 0.00 0.00 54.79 54.07 1u8e n ASP 737 Cb 0.38 -2.90 -0.06 0.00 -0.64 0.00 0.00 41.12 37.90 1u8e n ASP 737 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1u8e s GLU 738 N -1.87 3.38 0.00 -1.24 0.41 -1.06 -4.71 118.70 113.61 1u8e s GLU 738 Ca 0.00 -0.17 0.00 0.00 -0.41 0.00 0.00 54.97 54.39 1u8e s GLU 738 Cb 0.00 -3.13 0.00 0.00 -1.78 0.00 0.00 34.13 29.22 1u8e s GLU 738 CO 0.00 0.77 0.00 -0.40 -0.49 0.00 0.00 175.26 175.14 1u8e n ASP 739 N 1.97 0.00 0.33 -0.19 5.68 -1.26 -1.55 116.55 121.54 1u8e n ASP 739 Ca -0.20 0.00 0.22 0.00 -0.50 0.00 0.00 54.79 54.31 1u8e n ASP 739 Cb 0.55 0.00 1.17 0.00 -1.14 0.00 0.00 41.12 41.70 1u8e n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 1u8e h HIS 740 N 0.00 0.00 0.00 2.11 -0.00 -1.91 -1.88 115.15 113.48 1u8e h HIS 740 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1u8e h HIS 740 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1u8e h HIS 740 CO 0.00 0.00 -1.02 0.41 -0.00 0.00 0.00 177.93 177.32 1u8e n GLY 741 N -1.11 -1.33 4.12 5.26 0.00 -1.26 -4.93 105.19 105.94 1u8e n GLY 741 Ca -0.03 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 1u8e n GLY 741 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1u8e n ILE 742 N -2.28 -1.14 0.10 -0.61 5.41 -0.71 -4.80 119.36 115.34 1u8e n ILE 742 Ca 0.01 -0.46 0.07 0.00 1.00 0.00 0.00 62.75 63.37 1u8e n ILE 742 Cb 0.49 -1.08 0.14 0.00 -0.71 0.00 0.00 39.64 38.48 1u8e n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1u8e n ALA 743 N -4.31 2.33 -1.75 -1.39 0.00 -1.26 -3.79 120.51 110.34 1u8e n ALA 743 Ca -0.26 -0.96 -0.38 0.00 0.00 0.00 0.00 53.44 51.84 1u8e n ALA 743 Cb 0.61 -0.53 0.03 0.00 0.00 0.00 0.00 19.45 19.56 1u8e n ALA 743 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1u8e s SER 744 N -1.08 5.39 0.21 0.00 1.04 -1.26 -4.71 113.70 113.28 1u8e s SER 744 Ca 0.25 2.64 -0.17 0.00 0.48 0.00 0.00 55.95 59.15 1u8e s SER 744 Cb 0.14 -2.63 0.20 0.00 0.10 0.00 0.00 66.02 63.84 1u8e s SER 744 CO 0.20 -1.48 1.60 -1.28 0.98 0.00 0.00 173.24 173.25 1u8e h SER 745 N 1.46 -0.93 -0.25 7.02 0.87 -1.99 0.14 113.55 119.88 1u8e h SER 745 Ca -0.51 0.22 -0.11 0.00 -1.23 0.00 0.00 61.79 60.17 1u8e h SER 745 Cb 1.29 0.52 -0.00 0.00 -0.44 0.00 0.00 62.40 63.77 1u8e h SER 745 CO 0.57 -0.27 -0.27 0.71 -0.53 0.00 0.00 176.83 177.04 1u8e h THR 746 N -0.08 1.32 -0.65 2.23 1.35 -1.98 -2.83 112.91 112.25 1u8e h THR 746 Ca 0.29 -1.45 -0.02 0.00 -0.55 0.00 0.00 66.41 64.68 1u8e h THR 746 Cb 0.54 1.69 -0.03 0.00 -1.73 0.00 0.00 68.15 68.62 1u8e h THR 746 CO -0.72 0.45 0.33 0.00 -0.25 0.00 0.00 175.52 175.34 1u8e h ALA 747 N 0.67 0.83 -0.36 6.62 0.00 -1.80 -0.24 119.26 124.98 1u8e h ALA 747 Ca 0.04 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1u8e h ALA 747 Cb 0.84 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1u8e h ALA 747 CO 0.07 0.38 0.03 1.25 0.00 0.00 0.00 179.25 180.97 1u8e h HIS 748 N 0.89 0.03 -0.47 0.00 2.76 -0.72 0.69 115.15 118.34 1u8e h HIS 748 Ca 0.23 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.38 1u8e h HIS 748 Cb 0.08 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 1u8e h HIS 748 CO -0.00 -0.04 0.12 1.96 -1.30 0.00 0.00 177.93 178.67 1u8e h GLN 749 N 0.13 0.74 0.22 5.26 4.20 -1.22 -2.95 115.11 121.50 1u8e h GLN 749 Ca 0.17 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1u8e h GLN 749 Cb 0.23 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1u8e h GLN 749 CO -0.27 0.73 -0.11 1.25 -0.67 0.00 0.00 178.83 179.76 1u8e h HIS 750 N 0.62 -0.28 -0.96 2.96 2.76 -0.46 -0.93 115.15 118.88 1u8e h HIS 750 Ca 0.15 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.35 1u8e h HIS 750 Cb 0.32 0.09 -0.06 0.00 1.55 0.00 0.00 27.41 29.31 1u8e h HIS 750 CO 0.02 -0.08 0.62 0.97 -1.30 0.00 0.00 177.93 178.17 1u8e h ILE 751 N -0.42 1.16 -0.07 6.26 2.10 -0.93 0.35 117.51 125.97 1u8e h ILE 751 Ca -0.03 -0.41 -0.16 0.00 1.08 0.00 0.00 64.86 65.34 1u8e h ILE 751 Cb 0.32 -0.15 -0.01 0.00 -1.09 0.00 0.00 36.82 35.89 1u8e h ILE 751 CO 0.05 0.22 -0.64 1.88 -1.08 0.00 0.00 178.15 178.58 1u8e h TYR 752 N 1.21 0.34 -0.39 2.19 0.05 -1.46 0.51 116.97 119.42 1u8e h TYR 752 Ca 0.38 -0.14 -0.06 0.00 0.05 0.00 0.00 58.73 58.96 1u8e h TYR 752 Cb -0.00 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 1u8e h TYR 752 CO -0.01 0.83 -0.01 1.15 -1.05 0.00 0.00 178.16 179.08 1u8e h THR 753 N 0.19 1.26 -0.21 -2.88 2.02 -0.34 -0.88 112.91 112.06 1u8e h THR 753 Ca -0.01 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.15 1u8e h THR 753 Cb 1.17 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 1u8e h THR 753 CO 0.10 0.34 0.09 -0.74 0.37 0.00 0.00 175.52 175.68 1u8e h HIS 754 N 0.51 0.32 -0.48 3.16 -0.00 -0.05 -2.74 115.15 115.86 1u8e h HIS 754 Ca 0.11 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.42 1u8e h HIS 754 Cb 0.48 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.77 1u8e h HIS 754 CO 0.04 0.34 0.14 0.52 -0.00 0.00 0.00 177.93 178.97 1u8e h MET 755 N 0.20 0.71 0.06 5.26 2.07 -0.83 -2.35 114.93 120.05 1u8e h MET 755 Ca 0.07 -0.12 -0.00 0.00 -2.07 0.00 0.00 59.70 57.58 1u8e h MET 755 Cb 0.15 -0.12 0.00 0.00 -1.87 0.00 0.00 31.60 29.76 1u8e h MET 755 CO -0.01 0.63 -0.03 0.77 1.07 0.00 0.00 176.91 179.34 1u8e h SER 756 N 0.70 -0.07 -0.48 1.22 0.02 -0.94 0.13 113.55 114.12 1u8e h SER 756 Ca 0.16 -0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.11 1u8e h SER 756 Cb 0.22 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.72 1u8e h SER 756 CO -0.01 0.02 0.18 0.45 -1.14 0.00 0.00 176.83 176.33 1u8e h HIS 757 N -0.15 0.32 -0.43 3.45 3.86 -1.30 -0.14 115.15 120.76 1u8e h HIS 757 Ca -0.01 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.26 1u8e h HIS 757 Cb 0.13 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.49 1u8e h HIS 757 CO -0.05 0.11 0.21 0.35 0.86 0.00 0.00 177.93 179.41 1u8e h PHE 758 N 0.36 0.39 -0.05 2.45 3.57 -1.13 -0.29 116.94 122.24 1u8e h PHE 758 Ca 0.23 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1u8e h PHE 758 Cb 0.23 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 1u8e h PHE 758 CO -0.15 0.20 0.01 0.82 -2.23 0.00 0.00 178.31 176.95 1u8e h ILE 759 N 0.42 1.20 -0.08 1.41 1.08 -0.13 -1.62 117.51 119.79 1u8e h ILE 759 Ca 0.19 -0.61 -0.08 0.00 -0.39 0.00 0.00 64.86 63.96 1u8e h ILE 759 Cb 0.10 1.53 -0.01 0.00 -3.07 0.00 0.00 36.82 35.36 1u8e h ILE 759 CO -0.13 0.17 -0.33 0.07 -0.69 0.00 0.00 178.15 177.23 1u8e h LYS 760 N -0.16 0.16 -0.55 2.37 2.10 -0.96 -0.53 116.57 119.01 1u8e h LYS 760 Ca 0.01 -0.06 -0.04 0.00 -2.00 0.00 0.00 60.65 58.56 1u8e h LYS 760 Cb 0.26 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.56 1u8e h LYS 760 CO 0.00 0.48 0.18 0.37 -2.00 0.00 0.00 179.45 178.48 1u8e h GLN 761 N 0.14 0.85 -0.05 0.07 -0.00 -0.96 -1.79 115.11 113.37 1u8e h GLN 761 Ca 0.02 -0.18 -0.09 0.00 -0.00 0.00 0.00 58.65 58.40 1u8e h GLN 761 Cb 0.66 -0.13 -0.01 0.00 0.00 0.00 0.00 27.48 28.00 1u8e h GLN 761 CO 0.05 0.77 -0.37 0.00 0.00 0.00 0.00 178.83 179.27 1u8e n PHE 763 N -4.08 0.63 -0.65 0.00 3.72 -0.24 -5.01 117.46 111.83 1u8e n PHE 763 Ca -0.02 -0.31 0.00 0.00 -0.05 0.00 0.00 57.45 57.08 1u8e n PHE 763 Cb 0.43 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 1u8e n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14