#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rgu n ARG 40 N 0.00 0.00 -2.59 1.43 5.12 -1.26 -4.75 116.66 114.61 2rgu n ARG 40 Ca 0.00 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.51 2rgu n ARG 40 Cb 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.26 2rgu n ARG 40 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2rgu s LYS 41 N 0.00 4.64 0.42 5.56 2.20 -1.26 -4.95 119.74 126.35 2rgu s LYS 41 Ca 0.00 1.62 0.07 0.00 -0.36 0.00 0.00 55.97 57.31 2rgu s LYS 41 Cb 0.00 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 2rgu s LYS 41 CO 0.00 0.13 0.24 -0.08 -0.36 0.00 0.00 175.35 175.29 2rgu s THR 42 N -0.18 2.33 -0.74 3.43 -1.32 -1.26 -1.32 115.64 116.57 2rgu s THR 42 Ca 0.48 -1.60 -0.26 0.00 -1.21 0.00 0.00 61.69 59.11 2rgu s THR 42 Cb -0.27 -2.93 0.04 0.00 -1.51 0.00 0.00 72.50 67.83 2rgu s THR 42 CO 0.33 0.00 1.24 -0.47 -2.21 0.00 0.00 174.62 173.51 2rgu s TYR 43 N -2.58 2.37 0.68 9.09 5.04 -1.26 -4.87 117.35 125.81 2rgu s TYR 43 Ca 0.42 -0.19 -0.11 0.00 -2.44 0.00 0.00 57.07 54.75 2rgu s TYR 43 Cb 0.02 -4.58 -0.00 0.00 0.35 0.00 0.00 41.96 37.75 2rgu s TYR 43 CO 0.23 -2.00 1.06 0.99 -1.34 0.00 0.00 175.55 174.50 2rgu s THR 44 N 5.40 4.04 0.18 4.34 2.01 -1.26 -4.06 115.64 126.30 2rgu s THR 44 Ca 0.33 0.66 -0.09 0.00 0.31 0.00 0.00 61.69 62.90 2rgu s THR 44 Cb -0.09 -3.55 0.08 0.00 0.01 0.00 0.00 72.50 68.96 2rgu s THR 44 CO 0.13 -0.87 1.67 0.25 -0.69 0.00 0.00 174.62 175.11 2rgu h LEU 45 N -0.61 1.03 -1.39 4.42 5.85 -1.94 -2.14 115.31 120.53 2rgu h LEU 45 Ca -0.45 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 57.99 2rgu h LEU 45 Cb 1.22 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 2rgu h LEU 45 CO 0.60 1.04 0.20 0.74 -0.34 0.00 0.00 178.44 180.68 2rgu h THR 46 N 0.99 1.16 0.35 1.05 2.02 -1.97 0.11 112.91 116.61 2rgu h THR 46 Ca 0.19 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 2rgu h THR 46 Cb 0.45 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 2rgu h THR 46 CO 0.01 0.18 -0.17 0.44 0.37 0.00 0.00 175.52 176.36 2rgu h ASP 47 N 0.62 -0.40 -0.08 4.18 3.32 -1.78 0.29 116.42 122.58 2rgu h ASP 47 Ca 0.15 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.22 2rgu h ASP 47 Cb 0.08 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2rgu h ASP 47 CO -0.02 -0.26 -0.05 0.22 -1.72 0.00 0.00 179.24 177.41 2rgu h TYR 48 N -0.50 -0.12 0.00 4.55 3.20 -0.97 0.23 116.97 123.36 2rgu h TYR 48 Ca -0.05 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.74 2rgu h TYR 48 Cb 0.38 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 2rgu h TYR 48 CO -0.04 -0.08 -0.43 -0.07 -1.64 0.00 0.00 178.16 175.89 2rgu h LEU 49 N -0.06 0.00 -1.93 2.82 -0.00 -0.74 -3.08 115.31 112.33 2rgu h LEU 49 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 2rgu h LEU 49 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 2rgu h LEU 49 CO -0.11 0.43 0.00 0.29 -0.00 0.00 0.00 178.44 179.04 2rgu n LYS 50 N -3.85 2.31 -3.52 1.13 4.76 0.10 -4.99 118.16 114.10 2rgu n LYS 50 Ca -0.01 -1.93 -0.23 0.00 -2.87 0.00 0.00 58.31 53.27 2rgu n LYS 50 Cb 0.48 -1.47 0.05 0.00 -1.84 0.00 0.00 35.03 32.25 2rgu n LYS 50 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2rgu n ASN 51 N 1.28 -4.72 -0.03 4.39 2.85 0.71 -4.94 115.26 114.79 2rgu n ASN 51 Ca 0.16 -0.85 -0.13 0.00 -0.11 0.00 0.00 54.58 53.65 2rgu n ASN 51 Cb 0.58 -4.25 -0.08 0.00 1.24 0.00 0.00 39.78 37.27 2rgu n ASN 51 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 2rgu h THR 52 N -1.60 1.34 -3.38 -0.44 2.02 -1.59 -3.39 112.91 105.88 2rgu h THR 52 Ca -0.63 -1.13 -0.74 0.00 0.77 0.00 0.00 66.41 64.68 2rgu h THR 52 Cb 1.34 1.93 -0.28 0.00 -1.74 0.00 0.00 68.15 69.40 2rgu h THR 52 CO 0.49 0.31 -0.24 -0.31 0.37 0.00 0.00 175.52 176.14 2rgu s TYR 53 N -4.43 3.45 0.35 3.16 2.02 -1.26 -5.07 117.35 115.57 2rgu s TYR 53 Ca -0.15 -1.84 -0.24 0.00 -0.37 0.00 0.00 57.07 54.46 2rgu s TYR 53 Cb 0.04 -3.61 -0.10 0.00 -0.40 0.00 0.00 41.96 37.89 2rgu s TYR 53 CO 0.71 -0.98 0.93 1.03 -1.57 0.00 0.00 175.55 175.67 2rgu s ARG 54 N 1.02 4.47 -0.29 -0.62 0.52 -1.26 -5.04 118.95 117.75 2rgu s ARG 54 Ca 0.09 1.24 -0.16 0.00 -0.52 0.00 0.00 55.73 56.39 2rgu s ARG 54 Cb -0.23 -2.64 -0.03 0.00 0.52 0.00 0.00 34.95 32.57 2rgu s ARG 54 CO -0.02 0.20 0.40 -0.51 0.02 0.00 0.00 175.30 175.40 2rgu s LEU 55 N -2.35 4.14 0.88 2.53 1.43 -1.26 -4.68 118.68 119.37 2rgu s LEU 55 Ca 0.53 0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 53.70 2rgu s LEU 55 Cb -0.16 -2.46 0.12 0.00 0.03 0.00 0.00 46.19 43.73 2rgu s LEU 55 CO 0.21 -0.26 1.10 -0.54 0.23 0.00 0.00 176.35 177.09 2rgu s LYS 56 N 2.13 1.38 0.00 1.70 -0.14 -1.26 -5.06 119.74 118.48 2rgu s LYS 56 Ca 0.16 0.64 0.00 0.00 -1.36 0.00 0.00 55.97 55.40 2rgu s LYS 56 Cb -0.16 -1.84 0.00 0.00 -1.68 0.00 0.00 37.83 34.15 2rgu s LYS 56 CO 0.11 -2.11 0.00 1.28 -0.76 0.00 0.00 175.35 173.86 2rgu n LEU 57 N -3.77 0.00 -2.74 3.17 4.77 -1.26 -4.97 117.00 112.20 2rgu n LEU 57 Ca 0.07 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.99 2rgu n LEU 57 Cb 0.56 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.69 2rgu n LEU 57 CO 0.56 0.00 0.24 0.00 -1.33 0.00 0.00 177.39 176.86 2rgu n TYR 58 N 0.00 -3.03 -2.74 -1.77 4.19 -1.26 -4.88 117.16 107.66 2rgu n TYR 58 Ca 0.00 -1.44 -0.42 0.00 3.31 0.00 0.00 57.90 59.35 2rgu n TYR 58 Cb 0.00 1.46 -0.03 0.00 0.49 0.00 0.00 39.34 41.26 2rgu n TYR 58 CO 0.00 0.00 0.00 -1.12 0.91 0.00 0.00 176.86 176.65 2rgu s SER 59 N -0.57 7.20 0.09 2.98 0.01 -1.26 -5.03 113.70 117.13 2rgu s SER 59 Ca 0.30 1.47 0.03 0.00 1.31 0.00 0.00 55.95 59.06 2rgu s SER 59 Cb 0.15 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 2rgu s SER 59 CO -0.16 -0.40 -0.08 -1.48 0.41 0.00 0.00 173.24 171.53 2rgu s LEU 60 N 1.86 2.44 -0.15 2.44 2.34 -1.26 -4.58 118.68 121.76 2rgu s LEU 60 Ca 0.47 -0.87 0.00 0.00 0.06 0.00 0.00 54.13 53.78 2rgu s LEU 60 Cb -0.18 -0.19 0.03 0.00 -0.56 0.00 0.00 46.19 45.29 2rgu s LEU 60 CO 0.18 -0.35 -0.12 -0.13 -1.06 0.00 0.00 176.35 174.87 2rgu s ARG 61 N -3.15 2.13 0.27 1.48 0.52 -0.82 -4.95 118.95 114.43 2rgu s ARG 61 Ca 0.07 -0.57 -0.29 0.00 -0.52 0.00 0.00 55.73 54.41 2rgu s ARG 61 Cb 0.00 -2.10 -0.09 0.00 0.52 0.00 0.00 34.95 33.27 2rgu s ARG 61 CO -0.02 -0.28 1.19 -1.58 0.02 0.00 0.00 175.30 174.63 2rgu s TRP 62 N 1.50 3.38 -0.22 -0.53 0.52 -1.26 -0.97 118.94 121.36 2rgu s TRP 62 Ca 0.04 1.53 0.07 0.00 0.02 0.00 0.00 56.10 57.75 2rgu s TRP 62 Cb -0.13 -3.45 -0.08 0.00 -1.15 0.00 0.00 33.47 28.66 2rgu s TRP 62 CO -0.10 -1.14 0.24 0.44 0.02 0.00 0.00 176.95 176.41 2rgu n ILE 63 N 1.47 0.00 -2.54 2.03 -5.35 -0.70 -4.92 119.36 109.36 2rgu n ILE 63 Ca 0.01 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 2rgu n ILE 63 Cb 0.44 0.81 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 2rgu n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2rgu n SER 64 N -1.32 0.00 0.22 7.28 3.41 -1.21 -4.99 113.62 117.01 2rgu n SER 64 Ca 0.01 -0.37 0.06 0.00 -0.26 0.00 0.00 58.87 58.31 2rgu n SER 64 Cb 0.12 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 64.59 2rgu n SER 64 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2rgu h ASP 65 N 0.00 0.00 0.00 4.04 2.03 -1.94 -3.17 116.42 117.38 2rgu h ASP 65 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2rgu h ASP 65 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2rgu h ASP 65 CO 0.00 0.20 -0.42 0.00 -1.03 0.00 0.00 179.24 177.99 2rgu n HIS 66 N -4.18 0.00 -4.12 4.15 1.44 -1.26 -4.38 115.22 106.86 2rgu n HIS 66 Ca -0.02 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.60 2rgu n HIS 66 Cb 0.27 -0.01 -0.10 0.00 0.12 0.00 0.00 29.99 30.26 2rgu n HIS 66 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2rgu s GLU 67 N 0.00 0.68 0.07 -1.40 2.02 -1.26 -1.06 118.70 117.75 2rgu s GLU 67 Ca 0.00 -1.20 -0.19 0.00 0.02 0.00 0.00 54.97 53.60 2rgu s GLU 67 Cb 0.00 -0.00 0.04 0.00 0.10 0.00 0.00 34.13 34.27 2rgu s GLU 67 CO 0.00 -0.06 0.44 1.52 0.02 0.00 0.00 175.26 177.18 2rgu s TYR 68 N -3.49 -0.30 0.10 1.61 -0.85 -0.81 -1.71 117.35 111.91 2rgu s TYR 68 Ca 0.07 0.19 -0.00 0.00 -0.52 0.00 0.00 57.07 56.81 2rgu s TYR 68 Cb 0.05 0.27 -0.04 0.00 0.38 0.00 0.00 41.96 42.62 2rgu s TYR 68 CO -0.07 -0.64 0.26 -0.51 -1.52 0.00 0.00 175.55 173.08 2rgu s LEU 69 N -2.25 4.34 -0.20 -3.49 1.43 -0.14 -0.21 118.68 118.15 2rgu s LEU 69 Ca -0.03 0.30 -0.20 0.00 -1.03 0.00 0.00 54.13 53.17 2rgu s LEU 69 Cb -0.00 -3.01 0.05 0.00 0.03 0.00 0.00 46.19 43.27 2rgu s LEU 69 CO -0.05 0.12 0.56 -0.47 0.23 0.00 0.00 176.35 176.73 2rgu s TYR 70 N -1.60 -0.61 -0.22 0.29 5.04 -0.50 -1.95 117.35 117.80 2rgu s TYR 70 Ca 0.36 1.48 -0.06 0.00 -2.44 0.00 0.00 57.07 56.41 2rgu s TYR 70 Cb -0.12 0.21 -0.02 0.00 0.35 0.00 0.00 41.96 42.38 2rgu s TYR 70 CO 0.28 -0.31 0.02 -1.59 -1.34 0.00 0.00 175.55 172.61 2rgu s LYS 71 N 0.24 3.59 -0.39 4.97 -2.85 -1.26 -0.38 119.74 123.65 2rgu s LYS 71 Ca -0.00 -0.52 -0.14 0.00 -1.00 0.00 0.00 55.97 54.30 2rgu s LYS 71 Cb -0.04 -3.16 0.01 0.00 -2.06 0.00 0.00 37.83 32.58 2rgu s LYS 71 CO 0.01 -0.11 0.28 -1.14 0.10 0.00 0.00 175.35 174.49 2rgu s GLN 72 N 1.33 3.08 4.03 1.78 2.00 0.33 -4.84 119.66 127.37 2rgu s GLN 72 Ca 0.04 -0.94 0.00 0.00 -2.00 0.00 0.00 55.36 52.46 2rgu s GLN 72 Cb -0.15 -3.91 0.00 0.00 0.80 0.00 0.00 33.01 29.75 2rgu s GLN 72 CO 0.01 -0.67 0.00 0.39 -0.50 0.00 0.00 175.29 174.52 2rgu n GLU 73 N 5.13 0.00 -1.95 1.67 1.02 -1.26 -1.06 120.64 124.19 2rgu n GLU 73 Ca -0.11 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.02 2rgu n GLU 73 Cb 0.48 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.95 2rgu n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2rgu n ASN 74 N 7.69 1.75 -4.14 1.62 4.13 -1.26 -5.05 115.26 119.99 2rgu n ASN 74 Ca 0.00 -2.44 -0.28 0.00 1.68 0.00 0.00 54.58 53.54 2rgu n ASN 74 Cb 0.00 -0.40 -0.17 0.00 -1.54 0.00 0.00 39.78 37.67 2rgu n ASN 74 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2rgu s ASN 75 N -3.01 2.48 -0.48 6.41 0.01 -0.22 -2.67 114.94 117.46 2rgu s ASN 75 Ca 0.34 -0.43 -0.19 0.00 -0.71 0.00 0.00 52.86 51.87 2rgu s ASN 75 Cb 0.36 -1.01 0.05 0.00 0.41 0.00 0.00 41.25 41.06 2rgu s ASN 75 CO -0.09 0.13 0.58 -0.63 -1.51 0.00 0.00 177.10 175.58 2rgu s ILE 76 N 0.34 4.93 0.20 0.60 1.01 -0.50 -0.51 121.20 127.26 2rgu s ILE 76 Ca -0.13 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.13 2rgu s ILE 76 Cb -0.16 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 2rgu s ILE 76 CO 0.05 -0.69 0.35 -0.76 0.00 0.00 0.00 174.94 173.90 2rgu s LEU 77 N 2.50 4.28 -0.08 2.97 1.43 0.49 -0.43 118.68 129.83 2rgu s LEU 77 Ca 0.15 0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.52 2rgu s LEU 77 Cb -0.18 -3.01 -0.02 0.00 0.03 0.00 0.00 46.19 43.01 2rgu s LEU 77 CO 0.13 -0.03 -0.17 0.54 0.23 0.00 0.00 176.35 177.06 2rgu s VAL 78 N -1.87 2.79 0.13 -1.59 0.11 -0.71 -1.40 120.40 117.84 2rgu s VAL 78 Ca 0.36 -0.79 0.07 0.00 -2.93 0.00 0.00 61.98 58.69 2rgu s VAL 78 Cb -0.10 -2.11 -0.04 0.00 -1.53 0.00 0.00 36.38 32.60 2rgu s VAL 78 CO 0.29 0.56 -0.09 -0.36 -3.33 0.00 0.00 175.10 172.17 2rgu s PHE 79 N -0.15 2.72 -0.36 1.54 0.40 0.71 -2.50 117.98 120.34 2rgu s PHE 79 Ca -0.02 -0.17 -0.11 0.00 -0.60 0.00 0.00 56.93 56.04 2rgu s PHE 79 Cb -0.14 -1.40 0.02 0.00 0.51 0.00 0.00 43.02 42.01 2rgu s PHE 79 CO 0.04 0.45 0.19 1.21 0.70 0.00 0.00 175.22 177.81 2rgu s ASN 80 N -2.39 5.69 0.40 1.36 3.84 -0.49 -1.92 114.94 121.42 2rgu s ASN 80 Ca 0.22 -0.85 0.10 0.00 0.21 0.00 0.00 52.86 52.54 2rgu s ASN 80 Cb -0.10 -2.02 0.90 0.00 -0.55 0.00 0.00 41.25 39.47 2rgu s ASN 80 CO 0.14 -0.33 1.96 0.00 -2.79 0.00 0.00 177.10 176.08 2rgu h ALA 81 N 8.42 1.87 0.17 1.71 0.00 -1.43 0.40 119.26 130.40 2rgu h ALA 81 Ca -0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2rgu h ALA 81 Cb 1.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2rgu h ALA 81 CO 0.65 -0.01 -0.08 1.49 0.00 0.00 0.00 179.25 181.30 2rgu h GLU 82 N 0.57 -0.22 0.00 0.00 4.57 -1.94 -3.37 114.58 114.19 2rgu h GLU 82 Ca 0.31 0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.44 2rgu h GLU 82 Cb 0.45 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 2rgu h GLU 82 CO -0.10 0.16 -2.05 0.66 -1.18 0.00 0.00 179.01 176.50 2rgu n TYR 83 N -5.01 0.02 -0.54 0.92 4.01 -1.20 -5.00 117.16 110.36 2rgu n TYR 83 Ca -0.09 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2rgu n TYR 83 Cb 0.25 -0.59 0.00 0.00 -0.31 0.00 0.00 39.34 38.69 2rgu n TYR 83 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2rgu n GLY 84 N 1.34 0.76 3.78 2.72 0.00 0.14 -5.05 105.19 108.88 2rgu n GLY 84 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 2rgu n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rgu s ASN 85 N -2.67 6.44 -0.02 1.61 4.22 -1.25 -4.72 114.94 118.55 2rgu s ASN 85 Ca 0.00 2.11 -0.00 0.00 -2.14 0.00 0.00 52.86 52.82 2rgu s ASN 85 Cb 0.00 -2.59 0.02 0.00 1.28 0.00 0.00 41.25 39.96 2rgu s ASN 85 CO 0.00 -0.72 0.03 -0.94 -2.04 0.00 0.00 177.10 173.43 2rgu s SER 86 N -1.59 0.02 0.21 3.54 1.04 -1.26 -1.40 113.70 114.25 2rgu s SER 86 Ca 0.62 0.05 0.11 0.00 0.48 0.00 0.00 55.95 57.22 2rgu s SER 86 Cb -0.23 -0.00 -0.05 0.00 0.10 0.00 0.00 66.02 65.84 2rgu s SER 86 CO 0.28 -0.07 -0.22 -0.94 0.98 0.00 0.00 173.24 173.27 2rgu s SER 87 N 0.54 3.53 -0.16 7.02 1.04 -1.04 -4.97 113.70 119.67 2rgu s SER 87 Ca -0.04 -0.89 -0.29 0.00 0.48 0.00 0.00 55.95 55.21 2rgu s SER 87 Cb -0.06 -0.30 -0.01 0.00 0.10 0.00 0.00 66.02 65.75 2rgu s SER 87 CO -0.02 0.10 1.11 0.54 0.98 0.00 0.00 173.24 175.96 2rgu s VAL 88 N -1.88 4.53 -0.05 5.02 0.11 -1.26 -1.74 120.40 125.13 2rgu s VAL 88 Ca 0.23 1.84 -0.11 0.00 -2.93 0.00 0.00 61.98 61.01 2rgu s VAL 88 Cb -0.07 -4.19 -0.31 0.00 -1.53 0.00 0.00 36.38 30.28 2rgu s VAL 88 CO 0.12 -0.10 0.67 0.15 -3.33 0.00 0.00 175.10 172.61 2rgu h PHE 89 N 7.55 0.72 -2.82 1.54 3.57 -1.05 -3.47 116.94 122.98 2rgu h PHE 89 Ca -0.26 -0.53 -0.15 0.00 3.53 0.00 0.00 57.97 60.56 2rgu h PHE 89 Cb 1.11 -0.03 -0.27 0.00 2.79 0.00 0.00 35.95 39.55 2rgu h PHE 89 CO 0.75 1.68 -0.36 -0.51 -2.23 0.00 0.00 178.31 177.64 2rgu s LEU 90 N -7.32 0.23 0.04 0.59 1.43 -0.49 -4.99 118.68 108.18 2rgu s LEU 90 Ca -0.16 0.73 -0.11 0.00 -1.03 0.00 0.00 54.13 53.56 2rgu s LEU 90 Cb 0.05 1.11 -0.06 0.00 0.03 0.00 0.00 46.19 47.33 2rgu s LEU 90 CO 0.85 -0.17 0.38 -1.61 0.23 0.00 0.00 176.35 176.03 2rgu s GLU 91 N 1.10 3.78 0.45 1.70 2.02 -1.26 -1.41 118.70 125.07 2rgu s GLU 91 Ca -0.07 0.21 0.22 0.00 0.02 0.00 0.00 54.97 55.35 2rgu s GLU 91 Cb -0.08 -3.08 1.19 0.00 0.10 0.00 0.00 34.13 32.27 2rgu s GLU 91 CO -0.09 0.62 1.63 -2.95 0.02 0.00 0.00 175.26 174.49 2rgu h ASN 92 N 4.09 0.00 -0.73 -0.19 7.08 -1.90 -0.71 115.58 123.22 2rgu h ASN 92 Ca -0.50 0.00 -0.33 0.00 -3.08 0.00 0.00 56.30 52.39 2rgu h ASN 92 Cb 1.20 0.00 -0.20 0.00 -2.08 0.00 0.00 38.32 37.25 2rgu h ASN 92 CO 0.64 0.00 0.42 -1.54 -2.08 0.00 0.00 177.43 174.88 2rgu n SER 93 N -2.41 3.82 -0.02 6.14 3.41 -1.26 -4.26 113.62 119.04 2rgu n SER 93 Ca -0.01 -3.17 0.05 0.00 -0.26 0.00 0.00 58.87 55.47 2rgu n SER 93 Cb 0.26 -0.75 -0.13 0.00 -0.26 0.00 0.00 64.21 63.33 2rgu n SER 93 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2rgu n THR 94 N -0.55 0.23 -1.89 6.66 -1.04 -0.27 -4.62 114.28 112.80 2rgu n THR 94 Ca 0.43 -0.45 0.03 0.00 -2.04 0.00 0.00 64.05 62.02 2rgu n THR 94 Cb 1.35 -0.04 0.15 0.00 -1.82 0.00 0.00 70.33 69.97 2rgu n THR 94 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2rgu n PHE 95 N -2.20 0.21 -0.18 -1.42 3.72 -1.26 -4.77 117.46 111.56 2rgu n PHE 95 Ca -0.08 -1.31 -0.10 0.00 -0.05 0.00 0.00 57.45 55.91 2rgu n PHE 95 Cb 0.57 -0.23 0.01 0.00 -0.94 0.00 0.00 39.48 38.89 2rgu n PHE 95 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2rgu h ASP 96 N 1.12 0.92 -0.57 4.37 5.19 -1.82 -2.31 116.42 123.31 2rgu h ASP 96 Ca -0.04 -0.33 -0.30 0.00 -0.62 0.00 0.00 57.03 55.75 2rgu h ASP 96 Cb 1.27 -0.25 -0.18 0.00 0.18 0.00 0.00 39.33 40.35 2rgu h ASP 96 CO 0.08 1.03 0.38 -0.62 -3.12 0.00 0.00 179.24 176.98 2rgu n GLU 97 N -4.26 1.72 0.02 3.56 -0.58 -1.26 -4.27 120.64 115.56 2rgu n GLU 97 Ca 0.01 -1.72 -0.19 0.00 -0.42 0.00 0.00 57.16 54.84 2rgu n GLU 97 Cb 0.35 -1.68 -0.11 0.00 -0.57 0.00 0.00 31.44 29.43 2rgu n GLU 97 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 2rgu h PHE 98 N 0.58 0.79 0.00 -0.32 3.57 -1.75 -3.48 116.94 116.33 2rgu h PHE 98 Ca 0.36 -0.43 0.00 0.00 3.53 0.00 0.00 57.97 61.43 2rgu h PHE 98 Cb 2.07 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.72 2rgu h PHE 98 CO 0.91 1.26 0.00 0.41 -2.23 0.00 0.00 178.31 178.66 2rgu n GLY 99 N 1.09 2.85 3.65 2.40 0.00 -1.26 -5.06 105.19 108.86 2rgu n GLY 99 Ca -0.11 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 44.87 2rgu n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rgu s HIS 100 N -0.93 2.82 -0.28 1.61 3.76 -1.26 -5.09 115.29 115.92 2rgu s HIS 100 Ca 0.00 -0.15 -0.29 0.00 -0.15 0.00 0.00 55.06 54.48 2rgu s HIS 100 Cb 0.00 -1.36 0.01 0.00 1.11 0.00 0.00 32.58 32.34 2rgu s HIS 100 CO 0.00 0.52 1.04 0.45 -0.85 0.00 0.00 174.74 175.90 2rgu s SER 101 N -2.95 6.98 -0.03 1.40 0.15 -1.26 -4.99 113.70 112.99 2rgu s SER 101 Ca 0.27 1.15 -0.30 0.00 0.70 0.00 0.00 55.95 57.77 2rgu s SER 101 Cb -0.09 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 2rgu s SER 101 CO 0.18 -0.77 1.20 -0.63 1.20 0.00 0.00 173.24 174.42 2rgu s ILE 102 N 3.41 4.22 -0.08 6.45 1.01 -1.26 -4.48 121.20 130.46 2rgu s ILE 102 Ca 0.44 1.56 -0.15 0.00 0.00 0.00 0.00 60.65 62.49 2rgu s ILE 102 Cb -0.13 -4.00 -0.28 0.00 0.01 0.00 0.00 42.46 38.05 2rgu s ILE 102 CO 0.11 0.02 0.61 -1.13 0.00 0.00 0.00 174.94 174.55 2rgu h ASN 103 N 7.35 0.45 -5.03 3.58 -0.73 0.25 -3.49 115.58 117.97 2rgu h ASN 103 Ca -0.36 -0.88 0.04 0.00 1.87 0.00 0.00 56.30 56.97 2rgu h ASN 103 Cb 1.17 -0.15 -0.07 0.00 0.27 0.00 0.00 38.32 39.55 2rgu h ASN 103 CO 0.87 1.65 0.18 -0.62 -0.37 0.00 0.00 177.43 179.14 2rgu s ASP 104 N -7.10 -0.29 0.24 1.15 2.15 -1.00 -5.01 116.67 106.80 2rgu s ASP 104 Ca -0.18 -0.54 0.06 0.00 0.43 0.00 0.00 52.55 52.32 2rgu s ASP 104 Cb 0.04 0.68 -0.05 0.00 -0.30 0.00 0.00 42.92 43.30 2rgu s ASP 104 CO 0.79 -1.25 -0.08 -0.72 -0.17 0.00 0.00 175.17 173.75 2rgu s TYR 105 N -3.90 1.76 -0.35 -5.34 -0.85 -1.26 -0.99 117.35 106.42 2rgu s TYR 105 Ca 0.10 -0.71 0.05 0.00 -0.52 0.00 0.00 57.07 56.00 2rgu s TYR 105 Cb -0.04 -0.95 0.17 0.00 0.38 0.00 0.00 41.96 41.52 2rgu s TYR 105 CO 0.03 0.23 0.51 0.45 -1.52 0.00 0.00 175.55 175.26 2rgu s SER 106 N -3.36 -0.46 -0.05 -0.18 0.15 -0.10 -4.95 113.70 104.75 2rgu s SER 106 Ca 0.26 -0.68 -0.30 0.00 0.70 0.00 0.00 55.95 55.93 2rgu s SER 106 Cb 0.03 1.45 -0.03 0.00 -1.71 0.00 0.00 66.02 65.75 2rgu s SER 106 CO 0.09 -0.26 1.16 -0.63 1.20 0.00 0.00 173.24 174.80 2rgu s ILE 107 N 2.11 4.35 0.81 6.45 1.01 -1.26 -0.93 121.20 133.74 2rgu s ILE 107 Ca 0.13 1.67 -0.12 0.00 0.00 0.00 0.00 60.65 62.33 2rgu s ILE 107 Cb -0.10 -4.07 0.08 0.00 0.01 0.00 0.00 42.46 38.38 2rgu s ILE 107 CO -0.16 0.02 1.16 -0.94 0.00 0.00 0.00 174.94 175.03 2rgu s SER 108 N 1.35 3.77 0.08 3.58 1.04 -0.87 -4.87 113.70 117.78 2rgu s SER 108 Ca 0.55 2.20 -0.17 0.00 0.48 0.00 0.00 55.95 59.01 2rgu s SER 108 Cb -0.24 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.26 2rgu s SER 108 CO 0.22 -2.54 1.29 -0.65 0.98 0.00 0.00 173.24 172.54 2rgu h PRO 109 N -1.02 -0.10 -1.31 4.02 0.11 -1.82 -0.02 132.00 131.87 2rgu h PRO 109 Ca -0.45 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2rgu h PRO 109 Cb 1.27 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2rgu h PRO 109 CO 0.47 -0.07 0.00 -0.40 -0.21 0.00 0.00 178.00 177.79 2rgu n ASP 110 N -4.16 1.53 -1.17 -2.05 5.68 -1.04 -4.80 116.55 110.54 2rgu n ASP 110 Ca -0.00 -1.13 0.00 0.00 -0.50 0.00 0.00 54.79 53.16 2rgu n ASP 110 Cb 0.16 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 39.86 2rgu n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rgu n GLY 111 N 0.64 -0.11 0.12 6.12 0.00 -0.02 -4.70 105.19 107.24 2rgu n GLY 111 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2rgu n GLY 111 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2rgu h GLN 112 N 0.00 0.00 -4.87 1.61 4.20 -1.87 -3.47 115.11 110.71 2rgu h GLN 112 Ca 0.00 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.39 2rgu h GLN 112 Cb 0.23 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.86 2rgu h GLN 112 CO 0.00 0.26 -0.65 -0.06 -0.67 0.00 0.00 178.83 177.71 2rgu s PHE 113 N -3.05 1.35 -0.15 2.96 0.08 -1.26 -1.49 117.98 116.42 2rgu s PHE 113 Ca 0.00 -1.04 -0.04 0.00 0.12 0.00 0.00 56.93 55.97 2rgu s PHE 113 Cb 0.08 -0.78 0.07 0.00 -0.57 0.00 0.00 43.02 41.83 2rgu s PHE 113 CO 0.78 -0.21 0.20 -1.50 -0.10 0.00 0.00 175.22 174.39 2rgu s ILE 114 N -3.64 -0.30 0.02 0.64 2.07 -0.95 -2.05 121.20 117.00 2rgu s ILE 114 Ca 0.28 0.09 -0.30 0.00 -1.41 0.00 0.00 60.65 59.30 2rgu s ILE 114 Cb 0.06 -0.51 -0.04 0.00 0.13 0.00 0.00 42.46 42.09 2rgu s ILE 114 CO 0.07 -0.05 1.15 -0.22 -1.91 0.00 0.00 174.94 173.98 2rgu s LEU 115 N 2.31 4.35 -0.19 8.50 0.20 -0.11 -2.21 118.68 131.54 2rgu s LEU 115 Ca 0.05 1.89 -0.05 0.00 0.69 0.00 0.00 54.13 56.70 2rgu s LEU 115 Cb -0.14 -3.57 -0.02 0.00 -0.43 0.00 0.00 46.19 42.02 2rgu s LEU 115 CO -0.09 -0.45 -0.00 -0.76 -0.29 0.00 0.00 176.35 174.76 2rgu s LEU 116 N 1.31 3.27 -0.21 -0.68 1.43 -0.13 -0.92 118.68 122.75 2rgu s LEU 116 Ca 0.56 -0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 53.42 2rgu s LEU 116 Cb -0.26 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 2rgu s LEU 116 CO 0.27 0.08 0.02 -0.70 0.23 0.00 0.00 176.35 176.25 2rgu s GLU 117 N 0.90 3.62 0.29 1.70 2.12 -0.17 -2.41 118.70 124.77 2rgu s GLU 117 Ca 0.01 -0.51 0.04 0.00 0.36 0.00 0.00 54.97 54.87 2rgu s GLU 117 Cb -0.14 -3.14 -0.03 0.00 0.26 0.00 0.00 34.13 31.08 2rgu s GLU 117 CO 0.02 -0.04 0.26 1.52 -0.54 0.00 0.00 175.26 176.48 2rgu s TYR 118 N 1.15 1.51 -1.76 5.30 1.13 -0.94 0.98 117.35 124.72 2rgu s TYR 118 Ca 0.03 -1.54 0.00 0.00 -1.41 0.00 0.00 57.07 54.16 2rgu s TYR 118 Cb -0.14 -0.60 0.00 0.00 -1.10 0.00 0.00 41.96 40.12 2rgu s TYR 118 CO 0.02 -0.84 0.00 0.09 -2.51 0.00 0.00 175.55 172.31 2rgu n ASN 119 N -1.17 -5.65 -4.67 -0.18 3.02 -1.26 -0.94 115.26 104.42 2rgu n ASN 119 Ca 0.05 0.05 -0.45 0.00 -0.03 0.00 0.00 54.58 54.21 2rgu n ASN 119 Cb 0.63 -4.70 -0.04 0.00 -0.61 0.00 0.00 39.78 35.06 2rgu n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rgu n TYR 120 N -3.80 2.41 -3.98 3.10 4.19 -1.26 -4.48 117.16 113.35 2rgu n TYR 120 Ca -0.23 -0.21 -0.30 0.00 3.31 0.00 0.00 57.90 60.46 2rgu n TYR 120 Cb 0.68 -2.74 -0.16 0.00 0.49 0.00 0.00 39.34 37.60 2rgu n TYR 120 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 2rgu s VAL 121 N 4.45 1.61 0.59 2.97 1.01 -0.14 -5.00 120.40 125.88 2rgu s VAL 121 Ca 0.91 -1.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.64 2rgu s VAL 121 Cb -0.55 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 2rgu s VAL 121 CO 0.46 0.09 1.14 -0.75 0.00 0.00 0.00 175.10 176.04 2rgu s LYS 122 N 1.40 3.08 0.00 2.72 2.20 -1.26 -0.89 119.74 126.99 2rgu s LYS 122 Ca -0.03 1.58 0.00 0.00 -0.36 0.00 0.00 55.97 57.17 2rgu s LYS 122 Cb -0.17 -1.97 0.00 0.00 -1.51 0.00 0.00 37.83 34.18 2rgu s LYS 122 CO -0.07 -1.06 0.00 0.94 -0.36 0.00 0.00 175.35 174.79 2rgu n GLN 123 N -1.74 0.00 0.00 4.03 7.27 -0.74 -4.85 117.38 121.34 2rgu n GLN 123 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.19 2rgu n GLN 123 Cb 0.51 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.16 2rgu n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 2rgu n TRP 124 N 0.00 -0.03 -0.28 3.69 5.03 -1.23 -4.92 117.44 119.71 2rgu n TRP 124 Ca 0.00 0.00 -0.06 0.00 3.03 0.00 0.00 57.50 60.47 2rgu n TRP 124 Cb 0.00 0.00 0.06 0.00 -1.03 0.00 0.00 31.31 30.34 2rgu n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 2rgu h ARG 125 N 0.00 1.14 0.00 -0.99 2.43 -1.99 -3.34 114.38 111.64 2rgu h ARG 125 Ca 0.00 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 58.95 2rgu h ARG 125 Cb 0.00 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.37 2rgu h ARG 125 CO 0.00 0.94 -1.32 0.72 -1.51 0.00 0.00 179.97 178.80 2rgu n HIS 126 N -4.30 0.00 -2.73 2.20 8.25 -1.26 -5.05 115.22 112.32 2rgu n HIS 126 Ca 0.06 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.21 2rgu n HIS 126 Cb 0.19 -0.16 -0.05 0.00 1.12 0.00 0.00 29.99 31.09 2rgu n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2rgu s SER 127 N -2.82 6.69 -0.07 0.41 1.04 -1.25 -4.42 113.70 113.28 2rgu s SER 127 Ca -0.03 1.43 -0.32 0.00 0.48 0.00 0.00 55.95 57.52 2rgu s SER 127 Cb 0.04 -2.44 0.12 0.00 0.10 0.00 0.00 66.02 63.84 2rgu s SER 127 CO 0.28 -0.42 1.16 -0.72 0.98 0.00 0.00 173.24 174.52 2rgu s TYR 128 N -2.35 -0.13 0.12 5.02 -0.85 -1.26 -1.80 117.35 116.10 2rgu s TYR 128 Ca 0.57 0.02 0.11 0.00 -0.52 0.00 0.00 57.07 57.24 2rgu s TYR 128 Cb -0.10 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.74 2rgu s TYR 128 CO 0.25 -0.35 -0.26 0.95 -1.52 0.00 0.00 175.55 174.63 2rgu s THR 129 N -2.62 2.35 0.20 -3.49 -4.23 -0.06 -4.63 115.64 103.16 2rgu s THR 129 Ca 0.11 -1.69 -0.23 0.00 -1.18 0.00 0.00 61.69 58.69 2rgu s THR 129 Cb 0.01 -2.04 0.05 0.00 1.34 0.00 0.00 72.50 71.86 2rgu s THR 129 CO -0.04 0.11 0.87 0.00 -0.54 0.00 0.00 174.62 175.02 2rgu s ALA 130 N -1.06 -1.48 0.25 3.99 0.00 -0.33 -0.97 121.76 122.16 2rgu s ALA 130 Ca 0.14 -0.05 0.06 0.00 0.00 0.00 0.00 51.96 52.12 2rgu s ALA 130 Cb -0.10 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 2rgu s ALA 130 CO 0.06 -1.04 0.28 -1.12 0.00 0.00 0.00 175.76 173.94 2rgu s SER 131 N -2.94 5.90 0.06 0.00 0.01 -0.12 -1.22 113.70 115.40 2rgu s SER 131 Ca 0.12 -0.10 -0.06 0.00 1.31 0.00 0.00 55.95 57.22 2rgu s SER 131 Cb -0.03 -1.61 -0.01 0.00 0.21 0.00 0.00 66.02 64.57 2rgu s SER 131 CO 0.04 -0.06 0.11 -0.31 0.41 0.00 0.00 173.24 173.43 2rgu s TYR 132 N -2.06 0.25 -0.10 2.43 2.02 -1.26 -2.22 117.35 116.41 2rgu s TYR 132 Ca 0.34 -0.67 -0.08 0.00 -0.37 0.00 0.00 57.07 56.29 2rgu s TYR 132 Cb -0.08 -0.17 0.03 0.00 -0.40 0.00 0.00 41.96 41.34 2rgu s TYR 132 CO 0.27 -0.45 0.26 -0.51 -1.57 0.00 0.00 175.55 173.55 2rgu s ASP 133 N -2.63 -0.27 -0.26 2.29 1.01 -1.01 -4.44 116.67 111.36 2rgu s ASP 133 Ca 0.02 0.52 -0.08 0.00 0.71 0.00 0.00 52.55 53.72 2rgu s ASP 133 Cb 0.04 0.51 -0.03 0.00 1.01 0.00 0.00 42.92 44.45 2rgu s ASP 133 CO -0.09 -0.10 0.09 -0.63 0.21 0.00 0.00 175.17 174.66 2rgu s ILE 134 N 0.33 4.43 -0.33 0.77 1.01 -1.26 -0.96 121.20 125.20 2rgu s ILE 134 Ca -0.02 -0.20 -0.16 0.00 0.00 0.00 0.00 60.65 60.28 2rgu s ILE 134 Cb -0.03 -3.11 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 2rgu s ILE 134 CO -0.01 0.28 0.39 -0.47 0.00 0.00 0.00 174.94 175.13 2rgu s TYR 135 N 1.62 3.21 -0.30 3.97 5.04 -0.94 -0.59 117.35 129.37 2rgu s TYR 135 Ca 0.06 0.12 -0.29 0.00 -2.44 0.00 0.00 57.07 54.52 2rgu s TYR 135 Cb -0.16 -2.70 0.01 0.00 0.35 0.00 0.00 41.96 39.47 2rgu s TYR 135 CO 0.05 -0.40 1.11 0.34 -1.34 0.00 0.00 175.55 175.30 2rgu s ASP 136 N 1.72 6.93 0.24 4.32 -1.08 -0.85 -2.24 116.67 125.70 2rgu s ASP 136 Ca 0.14 1.15 0.05 0.00 -0.52 0.00 0.00 52.55 53.37 2rgu s ASP 136 Cb -0.16 -2.54 0.27 0.00 -1.46 0.00 0.00 42.92 39.02 2rgu s ASP 136 CO 0.12 -0.87 1.57 -0.07 0.52 0.00 0.00 175.17 176.44 2rgu h LEU 137 N 10.07 0.22 0.00 -1.34 3.38 -1.58 -2.83 115.31 123.22 2rgu h LEU 137 Ca -0.21 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2rgu h LEU 137 Cb 1.07 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2rgu h LEU 137 CO 1.02 0.78 0.00 0.59 0.09 0.00 0.00 178.44 180.92 2rgu n ASN 138 N -3.86 0.00 -1.02 -0.43 3.02 -1.26 -4.71 115.26 107.01 2rgu n ASN 138 Ca -0.02 -0.82 -0.00 0.00 -0.03 0.00 0.00 54.58 53.70 2rgu n ASN 138 Cb 0.62 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.79 2rgu n ASN 138 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2rgu n LYS 139 N -0.62 0.01 -2.63 3.52 5.02 -1.07 -5.06 118.16 117.33 2rgu n LYS 139 Ca 0.03 -0.03 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 2rgu n LYS 139 Cb 0.01 0.03 -0.01 0.00 -0.02 0.00 0.00 35.03 35.04 2rgu n LYS 139 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2rgu n ARG 140 N -0.01 3.05 -3.96 1.97 3.00 -1.26 -4.85 116.66 114.61 2rgu n ARG 140 Ca -0.00 -4.41 -0.08 0.00 -0.01 0.00 0.00 57.85 53.34 2rgu n ARG 140 Cb 0.01 -2.12 -0.08 0.00 0.00 0.00 0.00 32.46 30.26 2rgu n ARG 140 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2rgu s GLN 141 N -3.44 0.78 -0.41 5.56 -0.21 -1.26 -5.09 119.66 115.59 2rgu s GLN 141 Ca 0.46 -1.08 -0.08 0.00 0.02 0.00 0.00 55.36 54.67 2rgu s GLN 141 Cb 0.38 0.29 0.08 0.00 1.00 0.00 0.00 33.01 34.76 2rgu s GLN 141 CO -0.15 -0.22 0.24 -0.51 -2.12 0.00 0.00 175.29 172.53 2rgu s LEU 142 N -2.90 5.13 -0.78 2.90 1.43 -1.26 -2.01 118.68 121.19 2rgu s LEU 142 Ca 0.07 -1.57 -0.32 0.00 -1.03 0.00 0.00 54.13 51.28 2rgu s LEU 142 Cb 0.06 -1.96 -0.18 0.00 0.03 0.00 0.00 46.19 44.14 2rgu s LEU 142 CO -0.10 -0.53 2.52 -0.38 0.23 0.00 0.00 176.35 178.10 2rgu n ILE 143 N 4.87 0.00 0.54 -0.59 5.41 0.24 -4.73 119.36 125.11 2rgu n ILE 143 Ca -0.09 -0.17 0.11 0.00 1.00 0.00 0.00 62.75 63.60 2rgu n ILE 143 Cb 0.43 -1.01 0.26 0.00 -0.71 0.00 0.00 39.64 38.61 2rgu n ILE 143 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2rgu n THR 144 N 7.42 0.46 -4.01 1.39 -2.24 -1.26 -4.43 114.28 111.62 2rgu n THR 144 Ca 0.57 -0.64 -0.35 0.00 -2.27 0.00 0.00 64.05 61.36 2rgu n THR 144 Cb 0.13 0.72 -0.12 0.00 -2.10 0.00 0.00 70.33 68.96 2rgu n THR 144 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2rgu s GLU 145 N -1.54 3.74 -0.92 -0.78 2.12 -1.26 -4.35 118.70 115.71 2rgu s GLU 145 Ca 0.37 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.24 2rgu s GLU 145 Cb 0.21 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.43 2rgu s GLU 145 CO 0.29 0.06 0.00 0.39 -0.54 0.00 0.00 175.26 175.46 2rgu n GLU 146 N 4.16 -0.76 -1.39 4.30 -0.58 -1.26 -4.55 120.64 120.55 2rgu n GLU 146 Ca -0.17 0.61 -0.44 0.00 -0.42 0.00 0.00 57.16 56.74 2rgu n GLU 146 Cb 0.52 -4.62 -0.01 0.00 -0.57 0.00 0.00 31.44 26.76 2rgu n GLU 146 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2rgu n ARG 147 N -2.21 0.25 -1.95 3.49 1.74 -1.26 -4.81 116.66 111.91 2rgu n ARG 147 Ca -0.11 0.09 -0.42 0.00 -0.77 0.00 0.00 57.85 56.64 2rgu n ARG 147 Cb 0.50 -1.20 -0.03 0.00 -1.02 0.00 0.00 32.46 30.71 2rgu n ARG 147 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2rgu s ILE 148 N -1.37 2.97 0.57 0.55 1.01 -1.26 -4.92 121.20 118.74 2rgu s ILE 148 Ca 0.62 0.52 -0.19 0.00 0.00 0.00 0.00 60.65 61.60 2rgu s ILE 148 Cb -0.72 -3.34 -0.07 0.00 0.01 0.00 0.00 42.46 38.34 2rgu s ILE 148 CO 0.59 0.01 0.79 -0.81 0.00 0.00 0.00 174.94 175.52 2rgu n PRO 149 N 5.06 0.78 -1.20 2.79 -0.04 -1.26 -4.49 135.00 136.64 2rgu n PRO 149 Ca 0.15 0.30 -0.30 0.00 -0.04 0.00 0.00 63.50 63.61 2rgu n PRO 149 Cb 0.40 -1.96 0.14 0.00 -0.04 0.00 0.00 33.50 32.04 2rgu n PRO 149 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2rgu s ASN 150 N -1.17 3.47 -1.71 3.54 0.02 -1.26 -3.65 114.94 114.18 2rgu s ASN 150 Ca 0.72 1.50 -0.02 0.00 -1.02 0.00 0.00 52.86 54.04 2rgu s ASN 150 Cb -0.44 -2.18 0.00 0.00 0.02 0.00 0.00 41.25 38.65 2rgu s ASN 150 CO 0.51 -2.64 0.24 0.59 0.02 0.00 0.00 177.10 175.82 2rgu n ASN 151 N -3.89 -6.05 -4.77 -1.22 3.02 -1.21 -4.95 115.26 96.20 2rgu n ASN 151 Ca 0.07 -0.13 -0.38 0.00 -0.03 0.00 0.00 54.58 54.12 2rgu n ASN 151 Cb 0.55 -4.97 -0.03 0.00 -0.61 0.00 0.00 39.78 34.72 2rgu n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2rgu s THR 152 N -3.10 3.42 -0.13 3.41 2.01 -0.36 -4.68 115.64 116.21 2rgu s THR 152 Ca 0.12 1.18 0.19 0.00 0.31 0.00 0.00 61.69 63.49 2rgu s THR 152 Cb -0.05 -3.65 -0.19 0.00 0.01 0.00 0.00 72.50 68.61 2rgu s THR 152 CO 0.15 0.09 0.61 0.00 -0.69 0.00 0.00 174.62 174.79 2rgu n GLN 153 N 0.16 0.64 -3.64 4.92 6.02 -0.09 -1.19 117.38 124.21 2rgu n GLN 153 Ca 0.04 0.04 -0.08 0.00 -0.01 0.00 0.00 57.00 57.00 2rgu n GLN 153 Cb 0.47 -1.67 -0.07 0.00 1.02 0.00 0.00 30.24 29.99 2rgu n GLN 153 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 2rgu s TRP 154 N -3.07 -0.50 0.04 1.08 -0.11 -1.22 -4.63 118.94 110.52 2rgu s TRP 154 Ca -0.05 1.16 0.03 0.00 1.22 0.00 0.00 56.10 58.46 2rgu s TRP 154 Cb 0.10 0.37 -0.02 0.00 -1.50 0.00 0.00 33.47 32.41 2rgu s TRP 154 CO 0.84 -0.24 -0.09 0.08 -4.62 0.00 0.00 176.95 172.92 2rgu s VAL 155 N 0.50 0.63 -0.27 5.86 1.01 -1.26 -0.41 120.40 126.46 2rgu s VAL 155 Ca 0.00 -1.01 -0.25 0.00 0.00 0.00 0.00 61.98 60.72 2rgu s VAL 155 Cb -0.05 -0.66 0.08 0.00 0.00 0.00 0.00 36.38 35.76 2rgu s VAL 155 CO -0.09 -0.29 0.81 0.28 0.00 0.00 0.00 175.10 175.81 2rgu s THR 156 N -1.21 0.00 0.74 3.92 -1.32 -0.57 -5.01 115.64 112.19 2rgu s THR 156 Ca -0.07 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.31 2rgu s THR 156 Cb -0.09 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.95 2rgu s THR 156 CO 0.01 0.00 1.09 0.26 -2.21 0.00 0.00 174.62 173.77 2rgu s TRP 157 N 0.28 3.05 0.72 9.09 0.52 -1.26 -1.80 118.94 129.54 2rgu s TRP 157 Ca 0.01 0.73 -0.11 0.00 0.02 0.00 0.00 56.10 56.75 2rgu s TRP 157 Cb -0.05 -3.25 0.03 0.00 -1.15 0.00 0.00 33.47 29.05 2rgu s TRP 157 CO -0.01 -1.46 1.09 -1.54 0.02 0.00 0.00 176.95 175.05 2rgu s SER 158 N -4.49 5.18 0.44 2.95 1.04 -0.96 -4.88 113.70 112.99 2rgu s SER 158 Ca 0.60 0.94 0.31 0.00 0.48 0.00 0.00 55.95 58.28 2rgu s SER 158 Cb -0.11 -1.68 1.44 0.00 0.10 0.00 0.00 66.02 65.77 2rgu s SER 158 CO 0.48 -1.47 1.92 -0.65 0.98 0.00 0.00 173.24 174.50 2rgu h PRO 159 N -0.69 0.00 -3.32 4.02 0.11 -1.83 -3.43 132.00 126.86 2rgu h PRO 159 Ca -0.45 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.47 2rgu h PRO 159 Cb 1.28 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.12 2rgu h PRO 159 CO 0.64 0.00 -0.53 0.08 -0.21 0.00 0.00 178.00 177.98 2rgu s VAL 160 N -3.64 -0.00 0.00 3.15 1.01 -1.26 -4.85 120.40 114.80 2rgu s VAL 160 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.00 2rgu s VAL 160 Cb 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 36.23 2rgu s VAL 160 CO 0.40 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.12 2rgu n GLY 161 N 3.12 0.70 0.60 4.51 0.00 -1.26 -4.43 105.19 108.43 2rgu n GLY 161 Ca -0.14 -1.06 -0.00 0.00 0.00 0.00 0.00 46.02 44.82 2rgu n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2rgu n HIS 162 N 5.60 0.00 -1.15 1.61 1.44 -1.26 -2.48 115.22 118.98 2rgu n HIS 162 Ca 0.00 -0.07 -0.34 0.00 -2.01 0.00 0.00 57.72 55.30 2rgu n HIS 162 Cb 0.00 0.13 0.12 0.00 0.12 0.00 0.00 29.99 30.36 2rgu n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2rgu s LYS 163 N 0.00 1.68 -0.05 -1.40 1.02 -1.26 -4.66 119.74 115.08 2rgu s LYS 163 Ca 0.02 1.76 -0.02 0.00 0.02 0.00 0.00 55.97 57.75 2rgu s LYS 163 Cb 0.02 -1.78 0.03 0.00 -0.52 0.00 0.00 37.83 35.59 2rgu s LYS 163 CO -0.01 -2.18 0.09 -1.17 -0.92 0.00 0.00 175.35 171.15 2rgu s LEU 164 N -5.64 0.22 0.03 3.17 0.20 0.22 -2.28 118.68 114.60 2rgu s LEU 164 Ca 0.73 0.15 0.06 0.00 0.69 0.00 0.00 54.13 55.77 2rgu s LEU 164 Cb -0.29 -0.00 -0.03 0.00 -0.43 0.00 0.00 46.19 45.44 2rgu s LEU 164 CO 0.50 -0.23 -0.17 0.00 -0.29 0.00 0.00 176.35 176.16 2rgu s ALA 165 N 2.02 2.63 0.08 5.97 0.00 -0.75 0.72 121.76 132.44 2rgu s ALA 165 Ca 0.02 -1.15 -0.20 0.00 0.00 0.00 0.00 51.96 50.63 2rgu s ALA 165 Cb -0.12 -0.79 0.05 0.00 0.00 0.00 0.00 23.12 22.25 2rgu s ALA 165 CO -0.04 0.57 0.48 1.52 0.00 0.00 0.00 175.76 178.29 2rgu s TYR 166 N -0.90 -0.35 -0.09 0.00 -0.85 0.42 -1.52 117.35 114.07 2rgu s TYR 166 Ca 0.14 0.25 0.00 0.00 -0.52 0.00 0.00 57.07 56.95 2rgu s TYR 166 Cb -0.11 0.33 -0.03 0.00 0.38 0.00 0.00 41.96 42.53 2rgu s TYR 166 CO 0.05 -0.67 -0.07 0.08 -1.52 0.00 0.00 175.55 173.42 2rgu s VAL 167 N -2.98 3.67 -0.18 -3.49 1.01 0.45 -0.23 120.40 118.64 2rgu s VAL 167 Ca -0.02 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 2rgu s VAL 167 Cb -0.00 -2.52 0.08 0.00 0.00 0.00 0.00 36.38 33.94 2rgu s VAL 167 CO -0.06 0.58 0.40 0.86 0.00 0.00 0.00 175.10 176.88 2rgu s TRP 168 N -0.52 -0.72 -1.35 5.22 -0.00 -0.32 -0.91 118.94 120.34 2rgu s TRP 168 Ca 0.08 1.41 -0.07 0.00 -0.00 0.00 0.00 56.10 57.52 2rgu s TRP 168 Cb -0.12 0.26 0.01 0.00 -0.00 0.00 0.00 33.47 33.62 2rgu s TRP 168 CO 0.02 -0.44 0.96 0.09 -0.00 0.00 0.00 176.95 177.58 2rgu n ASN 169 N 5.14 -6.11 -0.59 5.86 5.03 -1.26 -2.03 115.26 121.30 2rgu n ASN 169 Ca -0.11 -0.44 -0.08 0.00 0.87 0.00 0.00 54.58 54.82 2rgu n ASN 169 Cb 0.51 -4.79 -0.03 0.00 -1.02 0.00 0.00 39.78 34.45 2rgu n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2rgu n ASN 170 N -2.64 -5.00 -4.36 6.41 4.13 -1.26 -4.28 115.26 108.25 2rgu n ASN 170 Ca -0.03 0.19 -0.29 0.00 1.68 0.00 0.00 54.58 56.14 2rgu n ASN 170 Cb 0.57 -3.18 -0.13 0.00 -1.54 0.00 0.00 39.78 35.50 2rgu n ASN 170 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2rgu s ASP 171 N -2.43 3.19 -0.07 6.41 1.01 -0.86 -2.38 116.67 121.54 2rgu s ASP 171 Ca 0.00 -0.70 -0.15 0.00 0.71 0.00 0.00 52.55 52.41 2rgu s ASP 171 Cb 0.00 -0.23 -0.05 0.00 1.01 0.00 0.00 42.92 43.65 2rgu s ASP 171 CO 0.00 0.19 0.40 -0.63 0.21 0.00 0.00 175.17 175.34 2rgu s ILE 172 N -0.99 5.14 0.06 0.77 1.01 -1.26 -1.18 121.20 124.75 2rgu s ILE 172 Ca 0.13 0.81 0.06 0.00 0.00 0.00 0.00 60.65 61.64 2rgu s ILE 172 Cb -0.10 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 2rgu s ILE 172 CO 0.05 0.47 -0.17 -0.31 0.00 0.00 0.00 174.94 174.98 2rgu s TYR 173 N -0.27 1.47 -0.03 3.97 1.51 0.67 -0.45 117.35 124.22 2rgu s TYR 173 Ca 0.23 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 55.93 2rgu s TYR 173 Cb -0.15 -0.85 0.00 0.00 -0.11 0.00 0.00 41.96 40.85 2rgu s TYR 173 CO 0.10 0.09 -0.12 0.08 -1.11 0.00 0.00 175.55 174.59 2rgu s VAL 174 N -0.98 1.00 -0.17 0.71 1.01 0.08 -0.43 120.40 121.62 2rgu s VAL 174 Ca 0.03 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.54 2rgu s VAL 174 Cb -0.09 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.43 2rgu s VAL 174 CO 0.02 0.30 -0.18 -0.54 0.00 0.00 0.00 175.10 174.70 2rgu s LYS 175 N 0.13 2.74 0.09 2.72 1.02 0.22 0.74 119.74 127.40 2rgu s LYS 175 Ca -0.03 -0.73 -0.12 0.00 0.02 0.00 0.00 55.97 55.11 2rgu s LYS 175 Cb -0.09 -2.39 -0.19 0.00 -0.52 0.00 0.00 37.83 34.63 2rgu s LYS 175 CO 0.01 -0.21 1.23 0.82 -0.92 0.00 0.00 175.35 176.28 2rgu h ILE 176 N 5.98 1.30 -4.57 2.17 1.08 -1.89 0.64 117.51 122.22 2rgu h ILE 176 Ca -0.43 -2.26 -0.68 0.00 -0.39 0.00 0.00 64.86 61.10 2rgu h ILE 176 Cb 1.14 2.35 -0.30 0.00 -3.07 0.00 0.00 36.82 36.94 2rgu h ILE 176 CO 0.60 0.70 -0.88 -1.61 -0.69 0.00 0.00 178.15 176.26 2rgu s GLU 177 N -3.35 2.01 0.54 2.37 0.41 -1.26 -4.27 118.70 115.15 2rgu s GLU 177 Ca -0.09 -0.89 0.22 0.00 -0.41 0.00 0.00 54.97 53.80 2rgu s GLU 177 Cb 0.07 -1.95 1.40 0.00 -1.78 0.00 0.00 34.13 31.87 2rgu s GLU 177 CO 0.91 0.53 2.08 -1.35 -0.49 0.00 0.00 175.26 176.94 2rgu h PRO 178 N 5.51 0.00 -0.70 0.39 0.11 -1.85 -1.73 132.00 133.73 2rgu h PRO 178 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2rgu h PRO 178 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2rgu h PRO 178 CO 0.47 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.53 2rgu n ASN 179 N -4.34 4.05 -4.76 -2.05 6.94 -1.26 -4.86 115.26 108.97 2rgu n ASN 179 Ca 0.03 -2.08 -0.25 0.00 -0.02 0.00 0.00 54.58 52.26 2rgu n ASN 179 Cb 0.34 -0.49 -0.06 0.00 -2.36 0.00 0.00 39.78 37.21 2rgu n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2rgu s LEU 180 N -1.15 3.66 0.03 -4.53 2.01 -0.65 -4.69 118.68 113.36 2rgu s LEU 180 Ca 0.48 -0.25 -0.30 0.00 0.01 0.00 0.00 54.13 54.07 2rgu s LEU 180 Cb 0.26 -2.26 -0.08 0.00 0.01 0.00 0.00 46.19 44.13 2rgu s LEU 180 CO 0.31 0.05 1.70 -2.84 1.01 0.00 0.00 176.35 176.57 2rgu s PRO 181 N -3.25 4.19 0.94 1.29 0.02 -1.26 -4.85 135.00 132.08 2rgu s PRO 181 Ca 0.31 2.33 -0.11 0.00 0.02 0.00 0.00 61.00 63.54 2rgu s PRO 181 Cb -0.09 -3.79 0.16 0.00 0.02 0.00 0.00 34.50 30.79 2rgu s PRO 181 CO 0.22 -0.80 1.11 -1.54 -0.33 0.00 0.00 177.00 175.67 2rgu s SER 182 N 2.97 2.81 -0.15 2.53 1.04 -1.26 -4.87 113.70 116.77 2rgu s SER 182 Ca 0.76 1.94 -0.02 0.00 0.48 0.00 0.00 55.95 59.11 2rgu s SER 182 Cb -0.38 -2.47 -0.02 0.00 0.10 0.00 0.00 66.02 63.25 2rgu s SER 182 CO 0.33 -3.13 -0.08 -0.31 0.98 0.00 0.00 173.24 171.03 2rgu s TYR 183 N -2.68 2.93 0.03 5.02 1.51 0.23 -4.89 117.35 119.50 2rgu s TYR 183 Ca 0.66 -0.47 -0.30 0.00 -1.01 0.00 0.00 57.07 55.95 2rgu s TYR 183 Cb -0.22 -1.91 -0.04 0.00 -0.11 0.00 0.00 41.96 39.68 2rgu s TYR 183 CO 0.59 -0.13 1.00 0.50 -1.11 0.00 0.00 175.55 176.39 2rgu s ARG 184 N 0.39 4.58 -0.20 -0.62 3.52 -1.26 -0.75 118.95 124.61 2rgu s ARG 184 Ca -0.07 1.46 0.15 0.00 -0.13 0.00 0.00 55.73 57.14 2rgu s ARG 184 Cb -0.15 -3.43 -0.24 0.00 -1.56 0.00 0.00 34.95 29.58 2rgu s ARG 184 CO 0.04 -0.00 0.06 -0.89 -0.81 0.00 0.00 175.30 173.69 2rgu n ILE 185 N 3.61 1.42 -4.10 4.11 2.08 0.41 -4.48 119.36 122.40 2rgu n ILE 185 Ca 0.05 -0.81 -0.14 0.00 0.56 0.00 0.00 62.75 62.41 2rgu n ILE 185 Cb 0.50 -0.64 -0.12 0.00 -0.75 0.00 0.00 39.64 38.63 2rgu n ILE 185 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2rgu s THR 186 N -2.50 0.57 0.00 1.39 -4.23 -1.24 -4.84 115.64 104.79 2rgu s THR 186 Ca -0.14 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 2rgu s THR 186 Cb 0.07 -0.60 0.00 0.00 1.34 0.00 0.00 72.50 73.31 2rgu s THR 186 CO 0.79 -0.25 0.43 0.79 -0.54 0.00 0.00 174.62 175.85 2rgu n TRP 187 N 1.79 0.00 1.78 3.99 7.02 -1.26 -4.42 117.44 126.35 2rgu n TRP 187 Ca -0.20 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 56.43 2rgu n TRP 187 Cb 0.55 0.00 0.87 0.00 -2.42 0.00 0.00 31.31 30.31 2rgu n TRP 187 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2rgu n THR 188 N -0.10 0.01 -1.67 -0.99 -2.24 -1.26 -4.91 114.28 103.13 2rgu n THR 188 Ca 0.00 0.00 -0.47 0.00 -2.27 0.00 0.00 64.05 61.31 2rgu n THR 188 Cb 0.01 -0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 67.68 2rgu n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rgu n GLY 189 N 1.01 1.16 2.93 3.38 0.00 -1.26 -4.67 105.19 107.75 2rgu n GLY 189 Ca 0.21 0.71 -0.08 0.00 0.00 0.00 0.00 46.02 46.86 2rgu n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rgu s LYS 190 N 1.73 0.36 0.03 1.61 2.20 -0.91 -4.89 119.74 119.87 2rgu s LYS 190 Ca 0.83 0.53 -0.32 0.00 -0.36 0.00 0.00 55.97 56.65 2rgu s LYS 190 Cb -0.71 -0.42 -0.17 0.00 -1.51 0.00 0.00 37.83 35.03 2rgu s LYS 190 CO 0.42 -0.67 0.83 -1.91 -0.36 0.00 0.00 175.35 173.66 2rgu n GLU 191 N 5.37 0.00 -0.84 4.03 2.13 -1.26 -0.50 120.64 129.56 2rgu n GLU 191 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 2rgu n GLU 191 Cb 0.50 -1.20 0.00 0.00 0.27 0.00 0.00 31.44 31.01 2rgu n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2rgu n ASP 192 N 1.37 -3.86 0.09 4.31 8.00 -1.26 -4.64 116.55 120.56 2rgu n ASP 192 Ca 0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.67 2rgu n ASP 192 Cb 0.10 -2.98 0.00 0.00 -0.02 0.00 0.00 41.12 38.22 2rgu n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2rgu n ILE 193 N -2.04 0.63 -4.00 0.53 5.41 0.26 -4.69 119.36 115.45 2rgu n ILE 193 Ca 0.00 0.21 -0.34 0.00 1.00 0.00 0.00 62.75 63.62 2rgu n ILE 193 Cb 0.31 -1.10 -0.15 0.00 -0.71 0.00 0.00 39.64 37.99 2rgu n ILE 193 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2rgu s ILE 194 N -2.00 2.64 -0.35 1.39 -1.09 0.34 -0.02 121.20 122.12 2rgu s ILE 194 Ca 0.00 -1.10 -0.07 0.00 -2.23 0.00 0.00 60.65 57.25 2rgu s ILE 194 Cb 0.00 -2.34 0.04 0.00 -1.58 0.00 0.00 42.46 38.58 2rgu s ILE 194 CO 0.00 0.22 0.12 -0.31 -1.23 0.00 0.00 174.94 173.74 2rgu s TYR 195 N 1.29 3.26 -0.22 3.97 1.51 -0.43 -2.15 117.35 124.59 2rgu s TYR 195 Ca -0.00 -1.42 -0.06 0.00 -1.01 0.00 0.00 57.07 54.57 2rgu s TYR 195 Cb -0.17 -2.34 -0.03 0.00 -0.11 0.00 0.00 41.96 39.31 2rgu s TYR 195 CO -0.06 -0.73 0.04 -0.80 -1.11 0.00 0.00 175.55 172.89 2rgu s ASN 196 N 1.46 5.11 0.00 2.29 0.01 -1.00 -0.90 114.94 121.92 2rgu s ASN 196 Ca -0.01 -0.15 0.00 0.00 -0.71 0.00 0.00 52.86 51.99 2rgu s ASN 196 Cb -0.20 -1.89 0.00 0.00 0.41 0.00 0.00 41.25 39.57 2rgu s ASN 196 CO 0.03 0.04 0.00 0.61 -1.51 0.00 0.00 177.10 176.27 2rgu n GLY 197 N 4.39 2.95 3.40 0.66 0.00 -0.70 -4.38 105.19 111.51 2rgu n GLY 197 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 2rgu n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2rgu s ILE 198 N -1.67 1.74 0.25 -0.61 -4.36 -1.26 0.64 121.20 115.93 2rgu s ILE 198 Ca 0.00 -2.18 -0.02 0.00 -0.26 0.00 0.00 60.65 58.20 2rgu s ILE 198 Cb 0.00 -2.29 -0.04 0.00 1.25 0.00 0.00 42.46 41.37 2rgu s ILE 198 CO 0.00 -0.41 0.47 0.42 0.24 0.00 0.00 174.94 175.65 2rgu s THR 199 N -2.96 5.13 0.63 8.37 -4.23 -0.41 -4.74 115.64 117.43 2rgu s THR 199 Ca 0.27 -0.27 -0.08 0.00 -1.18 0.00 0.00 61.69 60.43 2rgu s THR 199 Cb 0.01 -3.76 0.14 0.00 1.34 0.00 0.00 72.50 70.24 2rgu s THR 199 CO 0.10 -0.29 0.85 -0.90 -0.54 0.00 0.00 174.62 173.85 2rgu n ASP 200 N -0.95 0.30 -0.05 3.99 5.75 -1.26 -4.76 116.55 119.56 2rgu n ASP 200 Ca -0.04 -1.45 -0.10 0.00 -0.01 0.00 0.00 54.79 53.20 2rgu n ASP 200 Cb 0.54 -0.63 -0.03 0.00 -1.03 0.00 0.00 41.12 39.97 2rgu n ASP 200 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 2rgu h TRP 201 N -1.27 0.27 -0.66 2.11 7.01 -2.00 -2.04 115.95 119.36 2rgu h TRP 201 Ca -0.28 0.01 -0.07 0.00 2.11 0.00 0.00 58.89 60.66 2rgu h TRP 201 Cb 0.82 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.77 2rgu h TRP 201 CO 0.00 0.16 0.16 -0.39 -2.79 0.00 0.00 178.44 175.58 2rgu h VAL 202 N 0.29 1.26 -0.29 2.65 -1.51 -1.94 -2.30 116.25 114.42 2rgu h VAL 202 Ca 0.09 -0.95 -0.13 0.00 -1.23 0.00 0.00 66.70 64.47 2rgu h VAL 202 Cb -0.02 0.61 -0.01 0.00 -2.13 0.00 0.00 31.29 29.74 2rgu h VAL 202 CO -0.03 0.36 -0.37 1.88 -1.23 0.00 0.00 177.57 178.18 2rgu h TYR 203 N 0.99 0.77 -0.25 5.19 -1.99 -1.92 0.25 116.97 120.01 2rgu h TYR 203 Ca 0.21 -0.21 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 2rgu h TYR 203 Cb 0.37 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 38.92 2rgu h TYR 203 CO 0.03 0.92 0.10 1.49 -0.00 0.00 0.00 178.16 180.70 2rgu h GLU 204 N 0.54 0.37 0.18 4.88 4.81 -1.25 -0.62 114.58 123.48 2rgu h GLU 204 Ca 0.05 -0.06 -0.30 0.00 -0.13 0.00 0.00 59.36 58.91 2rgu h GLU 204 Cb 0.88 -0.06 0.02 0.00 0.63 0.00 0.00 28.75 30.22 2rgu h GLU 204 CO 0.08 0.40 -1.46 1.49 -0.73 0.00 0.00 179.01 178.79 2rgu h GLU 205 N 0.25 0.38 -0.00 1.92 4.57 -1.35 -2.27 114.58 118.09 2rgu h GLU 205 Ca 0.08 -0.65 0.00 0.00 -1.18 0.00 0.00 59.36 57.61 2rgu h GLU 205 Cb 0.17 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2rgu h GLU 205 CO -0.01 1.31 -0.45 0.39 -1.18 0.00 0.00 179.01 179.08 2rgu n GLU 206 N -3.79 2.29 0.00 1.92 -0.58 0.89 -4.63 120.64 116.74 2rgu n GLU 206 Ca -0.21 -0.36 0.00 0.00 -0.42 0.00 0.00 57.16 56.16 2rgu n GLU 206 Cb 1.00 -1.15 0.00 0.00 -0.57 0.00 0.00 31.44 30.72 2rgu n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2rgu n VAL 207 N -0.74 0.00 1.21 2.62 0.31 -1.01 -4.87 118.33 115.85 2rgu n VAL 207 Ca 0.04 0.03 0.14 0.00 -0.01 0.00 0.00 64.34 64.53 2rgu n VAL 207 Cb 0.24 -0.79 0.53 0.00 -0.91 0.00 0.00 33.84 32.92 2rgu n VAL 207 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2rgu n PHE 208 N -1.72 0.00 -4.00 3.52 3.72 -0.27 -4.95 117.46 113.76 2rgu n PHE 208 Ca 0.00 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.10 2rgu n PHE 208 Cb 0.00 -0.28 -0.02 0.00 -0.94 0.00 0.00 39.48 38.24 2rgu n PHE 208 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2rgu n SER 209 N -1.21 -1.20 -3.61 4.37 7.64 -0.89 -4.92 113.62 113.80 2rgu n SER 209 Ca 0.11 -1.09 -0.02 0.00 1.01 0.00 0.00 58.87 58.87 2rgu n SER 209 Cb 0.31 -2.66 -0.02 0.00 -1.01 0.00 0.00 64.21 60.83 2rgu n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2rgu s ALA 210 N -3.93 -2.15 -0.22 -0.43 0.00 -0.97 -4.99 121.76 109.08 2rgu s ALA 210 Ca 0.12 1.43 0.20 0.00 0.00 0.00 0.00 51.96 53.72 2rgu s ALA 210 Cb -0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 2rgu s ALA 210 CO 0.92 -0.70 1.05 -0.92 0.00 0.00 0.00 175.76 176.10 2rgu h TYR 211 N 2.00 0.00 -3.94 0.00 3.20 -1.87 -3.38 116.97 112.98 2rgu h TYR 211 Ca -0.13 0.00 -0.48 0.00 3.14 0.00 0.00 58.73 61.26 2rgu h TYR 211 Cb 1.17 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.45 2rgu h TYR 211 CO 0.29 0.20 0.40 0.45 -1.64 0.00 0.00 178.16 177.86 2rgu s SER 212 N -5.62 6.91 -0.24 -2.11 0.15 -1.26 -1.29 113.70 110.23 2rgu s SER 212 Ca -0.00 2.02 0.23 0.00 0.70 0.00 0.00 55.95 58.90 2rgu s SER 212 Cb 0.09 -2.59 0.50 0.00 -1.71 0.00 0.00 66.02 62.31 2rgu s SER 212 CO 0.78 -0.38 1.11 0.00 1.20 0.00 0.00 173.24 175.95 2rgu n ALA 213 N 0.14 2.57 -2.40 5.45 0.00 0.21 -4.62 120.51 121.87 2rgu n ALA 213 Ca 0.04 -2.73 -0.28 0.00 0.00 0.00 0.00 53.44 50.47 2rgu n ALA 213 Cb 0.49 -0.87 -0.16 0.00 0.00 0.00 0.00 19.45 18.92 2rgu n ALA 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2rgu s LEU 214 N -3.55 2.05 -0.25 0.00 1.43 -1.23 -2.05 118.68 115.08 2rgu s LEU 214 Ca 0.28 -0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 52.93 2rgu s LEU 214 Cb 0.33 -1.14 0.09 0.00 0.03 0.00 0.00 46.19 45.50 2rgu s LEU 214 CO -0.05 0.27 0.15 0.26 0.23 0.00 0.00 176.35 177.21 2rgu s TRP 215 N -0.54 0.12 0.56 0.29 0.51 0.12 -5.02 118.94 114.97 2rgu s TRP 215 Ca 0.09 -0.52 -0.18 0.00 -2.12 0.00 0.00 56.10 53.36 2rgu s TRP 215 Cb -0.09 -0.73 -0.05 0.00 -0.81 0.00 0.00 33.47 31.79 2rgu s TRP 215 CO -0.01 -0.74 1.08 -1.58 -0.51 0.00 0.00 176.95 175.19 2rgu s TRP 216 N 2.17 2.86 0.44 -1.98 0.52 -1.26 -1.45 118.94 120.23 2rgu s TRP 216 Ca 0.07 1.54 -0.06 0.00 0.02 0.00 0.00 56.10 57.68 2rgu s TRP 216 Cb -0.16 -3.12 -0.04 0.00 -1.15 0.00 0.00 33.47 29.00 2rgu s TRP 216 CO -0.27 -1.23 0.75 -1.54 0.02 0.00 0.00 176.95 174.69 2rgu s SER 217 N -2.27 6.33 0.17 2.95 1.04 -0.99 -4.93 113.70 116.01 2rgu s SER 217 Ca 0.67 0.92 -0.22 0.00 0.48 0.00 0.00 55.95 57.80 2rgu s SER 217 Cb -0.19 -2.24 0.07 0.00 0.10 0.00 0.00 66.02 63.76 2rgu s SER 217 CO 0.30 -0.49 1.61 -0.65 0.98 0.00 0.00 173.24 174.98 2rgu h PRO 218 N 0.59 -0.23 -0.76 4.02 0.11 -1.91 -1.07 132.00 132.76 2rgu h PRO 218 Ca -0.47 0.02 0.18 0.00 0.11 0.00 0.00 66.00 65.83 2rgu h PRO 218 Cb 1.20 0.05 -0.13 0.00 0.11 0.00 0.00 31.00 32.23 2rgu h PRO 218 CO 0.62 -0.15 0.06 -0.97 -0.21 0.00 0.00 178.00 177.35 2rgu h ASN 219 N -0.23 -0.25 0.00 -2.05 -0.73 -1.90 -3.40 115.58 107.01 2rgu h ASN 219 Ca 0.18 0.19 0.00 0.00 1.87 0.00 0.00 56.30 58.53 2rgu h ASN 219 Cb 0.52 0.31 0.00 0.00 0.27 0.00 0.00 38.32 39.42 2rgu h ASN 219 CO -0.52 -0.15 0.00 0.61 -0.37 0.00 0.00 177.43 177.00 2rgu n GLY 220 N -1.40 0.64 0.16 1.57 0.00 -0.41 -4.74 105.19 101.01 2rgu n GLY 220 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 2rgu n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2rgu h THR 221 N 0.00 0.60 -2.94 2.61 2.02 -1.88 -3.46 112.91 109.86 2rgu h THR 221 Ca 0.00 -0.98 -0.46 0.00 0.77 0.00 0.00 66.41 65.74 2rgu h THR 221 Cb 0.00 1.01 0.03 0.00 -1.74 0.00 0.00 68.15 67.45 2rgu h THR 221 CO 0.00 0.16 -0.04 -0.36 0.37 0.00 0.00 175.52 175.64 2rgu s PHE 222 N -3.37 3.26 -0.28 3.16 0.08 -1.26 -0.93 117.98 118.64 2rgu s PHE 222 Ca -0.11 0.34 -0.01 0.00 0.12 0.00 0.00 56.93 57.27 2rgu s PHE 222 Cb 0.01 -2.36 0.13 0.00 -0.57 0.00 0.00 43.02 40.22 2rgu s PHE 222 CO 0.40 -0.41 0.28 -1.17 -0.10 0.00 0.00 175.22 174.22 2rgu s LEU 223 N -4.63 -0.18 0.08 -0.37 1.98 -0.58 -2.34 118.68 112.63 2rgu s LEU 223 Ca 0.49 -0.73 -0.16 0.00 -2.89 0.00 0.00 54.13 50.85 2rgu s LEU 223 Cb -0.10 0.45 -0.06 0.00 0.66 0.00 0.00 46.19 47.14 2rgu s LEU 223 CO 0.39 -0.39 0.51 0.00 -1.89 0.00 0.00 176.35 174.98 2rgu s ALA 224 N 2.34 3.62 0.08 5.97 0.00 -0.53 -1.98 121.76 131.27 2rgu s ALA 224 Ca 0.09 -0.12 -0.06 0.00 0.00 0.00 0.00 51.96 51.87 2rgu s ALA 224 Cb -0.14 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 2rgu s ALA 224 CO -0.31 0.45 0.13 1.52 0.00 0.00 0.00 175.76 177.55 2rgu s TYR 225 N -1.25 0.29 0.19 0.00 -0.85 0.14 -0.71 117.35 115.16 2rgu s TYR 225 Ca 0.31 -0.75 0.07 0.00 -0.52 0.00 0.00 57.07 56.18 2rgu s TYR 225 Cb -0.17 -0.17 -0.04 0.00 0.38 0.00 0.00 41.96 41.97 2rgu s TYR 225 CO 0.18 -0.51 0.06 0.00 -1.52 0.00 0.00 175.55 173.75 2rgu s ALA 226 N -3.89 3.34 -0.06 9.51 0.00 -0.87 -0.70 121.76 129.09 2rgu s ALA 226 Ca 0.07 -1.35 0.02 0.00 0.00 0.00 0.00 51.96 50.69 2rgu s ALA 226 Cb 0.06 -1.11 0.02 0.00 0.00 0.00 0.00 23.12 22.08 2rgu s ALA 226 CO -0.10 0.45 -0.09 -1.14 0.00 0.00 0.00 175.76 174.88 2rgu s GLN 227 N -3.13 1.40 -0.07 0.00 0.74 -0.12 -1.72 119.66 116.76 2rgu s GLN 227 Ca 0.29 -0.30 0.02 0.00 0.05 0.00 0.00 55.36 55.42 2rgu s GLN 227 Cb -0.09 -1.22 -0.03 0.00 1.10 0.00 0.00 33.01 32.77 2rgu s GLN 227 CO 0.21 -0.02 -0.10 -0.06 -0.55 0.00 0.00 175.29 174.77 2rgu s PHE 228 N 0.80 2.85 -0.33 1.67 0.08 -0.07 -1.31 117.98 121.68 2rgu s PHE 228 Ca -0.12 -0.09 0.02 0.00 0.12 0.00 0.00 56.93 56.85 2rgu s PHE 228 Cb -0.15 -1.70 0.09 0.00 -0.57 0.00 0.00 43.02 40.68 2rgu s PHE 228 CO 0.02 0.23 0.03 1.21 -0.10 0.00 0.00 175.22 176.62 2rgu s ASN 229 N -0.66 4.78 -0.27 1.36 3.84 -0.52 -1.31 114.94 122.16 2rgu s ASN 229 Ca 0.10 -1.87 0.12 0.00 0.21 0.00 0.00 52.86 51.42 2rgu s ASN 229 Cb -0.11 -1.65 0.75 0.00 -0.55 0.00 0.00 41.25 39.68 2rgu s ASN 229 CO 0.01 -0.35 1.73 0.47 -2.79 0.00 0.00 177.10 176.18 2rgu n ASP 230 N 4.38 5.02 -0.36 -4.21 9.92 0.97 -1.58 116.55 130.70 2rgu n ASP 230 Ca -0.03 -3.11 0.12 0.00 -0.53 0.00 0.00 54.79 51.24 2rgu n ASP 230 Cb 0.42 -0.70 0.30 0.00 -0.64 0.00 0.00 41.12 40.51 2rgu n ASP 230 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2rgu h THR 231 N 3.04 0.76 -0.49 -3.53 2.02 -1.84 -2.50 112.91 110.36 2rgu h THR 231 Ca 0.13 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.93 2rgu h THR 231 Cb 2.07 -0.14 -0.06 0.00 -1.74 0.00 0.00 68.15 68.29 2rgu h THR 231 CO 0.57 0.15 0.08 -0.62 0.37 0.00 0.00 175.52 176.07 2rgu n GLU 232 N -4.73 3.43 -3.24 6.66 1.02 -1.26 -4.96 120.64 117.56 2rgu n GLU 232 Ca 0.22 -3.03 -0.39 0.00 -0.02 0.00 0.00 57.16 53.95 2rgu n GLU 232 Cb 0.52 -2.05 -0.06 0.00 -0.02 0.00 0.00 31.44 29.84 2rgu n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2rgu s VAL 233 N -2.93 5.04 0.86 2.62 1.01 -0.94 -4.62 120.40 121.44 2rgu s VAL 233 Ca 0.49 1.14 -0.11 0.00 0.00 0.00 0.00 61.98 63.51 2rgu s VAL 233 Cb 0.40 -3.89 0.11 0.00 0.00 0.00 0.00 36.38 33.00 2rgu s VAL 233 CO 0.11 0.37 1.11 -2.84 0.00 0.00 0.00 175.10 173.85 2rgu s PRO 234 N 0.19 1.49 -0.14 2.72 0.02 -1.26 -4.72 135.00 133.31 2rgu s PRO 234 Ca 0.30 1.27 -0.03 0.00 0.02 0.00 0.00 61.00 62.56 2rgu s PRO 234 Cb -0.17 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.52 2rgu s PRO 234 CO 0.15 -2.21 -0.05 -0.51 -0.33 0.00 0.00 177.00 174.04 2rgu s LEU 235 N -6.30 3.20 0.13 -5.54 1.43 -1.26 -1.20 118.68 109.14 2rgu s LEU 235 Ca 0.64 -0.12 -0.21 0.00 -1.03 0.00 0.00 54.13 53.42 2rgu s LEU 235 Cb -0.20 -1.75 -0.07 0.00 0.03 0.00 0.00 46.19 44.20 2rgu s LEU 235 CO 0.57 0.21 0.65 -0.51 0.23 0.00 0.00 176.35 177.51 2rgu s ILE 236 N 0.11 4.61 -0.02 -0.59 1.10 0.01 -4.86 121.20 121.55 2rgu s ILE 236 Ca -0.01 1.34 0.04 0.00 -0.51 0.00 0.00 60.65 61.51 2rgu s ILE 236 Cb -0.14 -3.95 -0.01 0.00 0.15 0.00 0.00 42.46 38.52 2rgu s ILE 236 CO 0.03 0.47 -0.15 -1.61 -2.11 0.00 0.00 174.94 171.57 2rgu s GLU 237 N -1.32 1.37 0.05 3.50 2.02 -1.26 -1.75 118.70 121.30 2rgu s GLU 237 Ca 0.34 -0.53 -0.12 0.00 0.02 0.00 0.00 54.97 54.68 2rgu s GLU 237 Cb -0.20 -1.27 0.01 0.00 0.10 0.00 0.00 34.13 32.78 2rgu s GLU 237 CO 0.21 0.27 0.26 1.52 0.02 0.00 0.00 175.26 177.55 2rgu s TYR 238 N -0.16 -0.03 0.20 1.61 -0.85 -0.77 -4.99 117.35 112.36 2rgu s TYR 238 Ca 0.02 -0.16 -0.25 0.00 -0.52 0.00 0.00 57.07 56.15 2rgu s TYR 238 Cb -0.08 0.04 -0.08 0.00 0.38 0.00 0.00 41.96 42.22 2rgu s TYR 238 CO 0.00 -0.48 0.81 -1.12 -1.52 0.00 0.00 175.55 173.24 2rgu s SER 239 N -2.14 7.38 -0.21 -0.18 0.01 -1.26 -0.88 113.70 116.42 2rgu s SER 239 Ca -0.04 1.68 0.00 0.00 1.31 0.00 0.00 55.95 58.90 2rgu s SER 239 Cb -0.00 -2.51 0.05 0.00 0.21 0.00 0.00 66.02 63.76 2rgu s SER 239 CO -0.04 0.16 -0.07 0.12 0.41 0.00 0.00 173.24 173.82 2rgu s PHE 240 N -1.24 2.22 0.06 2.43 5.36 0.08 -4.66 117.98 122.24 2rgu s PHE 240 Ca 0.39 -1.55 0.10 0.00 -0.96 0.00 0.00 56.93 54.91 2rgu s PHE 240 Cb -0.22 -1.53 -0.07 0.00 -0.34 0.00 0.00 43.02 40.86 2rgu s PHE 240 CO 0.26 -0.73 1.36 1.88 -1.46 0.00 0.00 175.22 176.53 2rgu h TYR 241 N 8.00 0.00 0.00 10.12 0.05 -1.96 -1.76 116.97 131.43 2rgu h TYR 241 Ca -0.22 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.56 2rgu h TYR 241 Cb 1.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.83 2rgu h TYR 241 CO 0.48 0.82 0.00 0.45 -1.05 0.00 0.00 178.16 178.87 2rgu n SER 242 N -3.35 0.00 -4.78 3.88 2.88 -1.26 -4.77 113.62 106.22 2rgu n SER 242 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.18 2rgu n SER 242 Cb 0.85 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.29 2rgu n SER 242 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2rgu s ASP 243 N -4.00 6.37 0.56 -3.46 1.01 -1.26 -4.92 116.67 110.97 2rgu s ASP 243 Ca 0.00 2.18 0.37 0.00 0.71 0.00 0.00 52.55 55.81 2rgu s ASP 243 Cb 0.00 -2.59 1.50 0.00 1.01 0.00 0.00 42.92 42.84 2rgu s ASP 243 CO 0.00 -0.77 1.70 -0.08 0.21 0.00 0.00 175.17 176.23 2rgu h GLU 244 N 2.13 0.00 0.00 8.23 4.81 -2.04 0.27 114.58 127.99 2rgu h GLU 244 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2rgu h GLU 244 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2rgu h GLU 244 CO 0.61 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 179.55 2rgu h SER 245 N 0.00 0.00 -3.08 1.04 4.64 -1.94 -3.43 113.55 110.78 2rgu h SER 245 Ca 0.59 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.34 2rgu h SER 245 Cb 2.53 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.57 2rgu h SER 245 CO -0.01 0.00 1.05 -0.22 -0.87 0.00 0.00 176.83 176.78 2rgu s LEU 246 N -5.13 3.79 0.00 5.97 0.20 0.95 -4.92 118.68 119.54 2rgu s LEU 246 Ca 0.08 1.20 -0.24 0.00 0.69 0.00 0.00 54.13 55.85 2rgu s LEU 246 Cb 0.10 -3.54 -0.15 0.00 -0.43 0.00 0.00 46.19 42.17 2rgu s LEU 246 CO 0.58 -1.24 1.13 -0.61 -0.29 0.00 0.00 176.35 175.92 2rgu h GLN 247 N 10.15 -0.55 -5.47 1.98 4.15 -1.87 -3.43 115.11 120.08 2rgu h GLN 247 Ca -0.28 0.04 -0.61 0.00 0.77 0.00 0.00 58.65 58.56 2rgu h GLN 247 Cb 1.11 0.12 -0.10 0.00 0.21 0.00 0.00 27.48 28.83 2rgu h GLN 247 CO 1.04 -0.24 -0.41 0.71 -1.93 0.00 0.00 178.83 178.01 2rgu s TYR 248 N -4.49 3.48 0.70 3.99 1.51 -1.26 -5.06 117.35 116.22 2rgu s TYR 248 Ca -0.14 0.51 -0.16 0.00 -1.01 0.00 0.00 57.07 56.27 2rgu s TYR 248 Cb 0.02 -2.20 0.02 0.00 -0.11 0.00 0.00 41.96 39.69 2rgu s TYR 248 CO 0.48 0.37 1.23 -2.14 -1.11 0.00 0.00 175.55 174.39 2rgu s PRO 249 N 0.06 2.28 -0.14 -1.71 0.02 -1.26 -5.00 135.00 129.26 2rgu s PRO 249 Ca 0.13 1.86 -0.09 0.00 0.02 0.00 0.00 61.00 62.92 2rgu s PRO 249 Cb -0.12 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 2rgu s PRO 249 CO 0.02 -1.75 0.17 0.21 -0.33 0.00 0.00 177.00 175.32 2rgu s LYS 250 N -3.72 3.75 -0.28 5.54 2.20 -0.66 -4.95 119.74 121.61 2rgu s LYS 250 Ca 0.77 -0.10 -0.12 0.00 -0.36 0.00 0.00 55.97 56.17 2rgu s LYS 250 Cb -0.32 -3.28 -0.05 0.00 -1.51 0.00 0.00 37.83 32.68 2rgu s LYS 250 CO 0.43 0.59 0.22 0.99 -0.36 0.00 0.00 175.35 177.22 2rgu s THR 251 N -0.52 5.29 -0.04 3.43 2.01 -1.26 -0.74 115.64 123.81 2rgu s THR 251 Ca 0.14 0.19 -0.18 0.00 0.31 0.00 0.00 61.69 62.15 2rgu s THR 251 Cb -0.12 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 2rgu s THR 251 CO 0.03 0.21 0.49 -0.69 -0.69 0.00 0.00 174.62 173.97 2rgu s VAL 252 N 1.80 5.04 -0.15 3.82 1.01 -0.06 -4.95 120.40 126.92 2rgu s VAL 252 Ca 0.08 1.01 -0.00 0.00 0.00 0.00 0.00 61.98 63.06 2rgu s VAL 252 Cb -0.16 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.44 2rgu s VAL 252 CO 0.11 0.44 -0.07 -0.13 0.00 0.00 0.00 175.10 175.46 2rgu s ARG 253 N -0.22 1.52 -0.11 2.72 0.52 -1.26 -1.85 118.95 120.28 2rgu s ARG 253 Ca 0.27 -0.45 0.03 0.00 -0.52 0.00 0.00 55.73 55.06 2rgu s ARG 253 Cb -0.17 -1.89 0.01 0.00 0.52 0.00 0.00 34.95 33.42 2rgu s ARG 253 CO 0.13 -0.37 -0.21 0.08 0.02 0.00 0.00 175.30 174.96 2rgu s VAL 254 N 1.64 1.86 -0.03 3.52 1.01 -0.72 -4.96 120.40 122.73 2rgu s VAL 254 Ca 0.02 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 2rgu s VAL 254 Cb -0.14 -1.63 -0.06 0.00 0.00 0.00 0.00 36.38 34.54 2rgu s VAL 254 CO -0.08 0.51 1.65 -2.84 0.00 0.00 0.00 175.10 174.34 2rgu s PRO 255 N 0.58 4.19 -0.22 2.72 0.02 -1.26 -0.81 135.00 140.21 2rgu s PRO 255 Ca -0.14 2.20 -0.05 0.00 0.02 0.00 0.00 61.00 63.03 2rgu s PRO 255 Cb -0.17 -3.92 0.11 0.00 0.02 0.00 0.00 34.50 30.54 2rgu s PRO 255 CO 0.04 -0.82 0.39 -0.47 -0.33 0.00 0.00 177.00 175.82 2rgu s TYR 256 N 3.79 -0.80 -0.08 6.54 6.14 -0.34 -4.54 117.35 128.05 2rgu s TYR 256 Ca 0.73 1.18 -0.24 0.00 0.64 0.00 0.00 57.07 59.38 2rgu s TYR 256 Cb -0.34 0.16 -0.03 0.00 0.42 0.00 0.00 41.96 42.17 2rgu s TYR 256 CO 0.30 -0.59 0.75 -1.25 0.64 0.00 0.00 175.55 175.40 2rgu s PRO 257 N 2.58 4.42 0.47 4.97 0.04 -1.26 -4.50 135.00 141.71 2rgu s PRO 257 Ca 0.05 0.95 0.05 0.00 0.04 0.00 0.00 61.00 62.10 2rgu s PRO 257 Cb -0.14 -3.47 0.02 0.00 0.04 0.00 0.00 34.50 30.95 2rgu s PRO 257 CO -0.14 -0.02 0.65 0.15 0.04 0.00 0.00 177.00 177.68 2rgu s LYS 258 N 1.09 2.72 -0.46 4.56 1.02 -1.26 -1.23 119.74 126.18 2rgu s LYS 258 Ca 0.39 -1.04 -0.46 0.00 0.02 0.00 0.00 55.97 54.88 2rgu s LYS 258 Cb -0.18 -2.65 -0.20 0.00 -0.52 0.00 0.00 37.83 34.29 2rgu s LYS 258 CO 0.18 -0.44 1.59 0.00 -0.92 0.00 0.00 175.35 175.76 2rgu n ALA 259 N -2.05 -1.33 -1.00 5.17 0.00 -0.88 -0.51 120.51 119.92 2rgu n ALA 259 Ca 0.08 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2rgu n ALA 259 Cb 0.59 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.10 2rgu n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rgu n GLY 260 N 3.93 0.59 3.95 0.00 0.00 -1.26 -4.83 105.19 107.57 2rgu n GLY 260 Ca 0.30 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.09 2rgu n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rgu s ALA 261 N -2.38 3.61 0.19 4.61 0.00 0.33 -5.01 121.76 123.12 2rgu s ALA 261 Ca 0.00 -1.15 -0.31 0.00 0.00 0.00 0.00 51.96 50.50 2rgu s ALA 261 Cb 0.00 -2.28 -0.10 0.00 0.00 0.00 0.00 23.12 20.73 2rgu s ALA 261 CO 0.00 -0.91 1.58 0.08 0.00 0.00 0.00 175.76 176.51 2rgu s VAL 262 N -2.92 2.47 0.23 0.00 1.01 -1.26 -4.87 120.40 115.07 2rgu s VAL 262 Ca 0.58 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.92 2rgu s VAL 262 Cb -0.10 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 2rgu s VAL 262 CO 0.41 0.03 0.40 0.20 0.00 0.00 0.00 175.10 176.14 2rgu s ASN 263 N 1.00 6.35 0.58 3.32 0.02 -1.26 -4.53 114.94 120.42 2rgu s ASN 263 Ca 0.69 0.30 -0.18 0.00 -1.02 0.00 0.00 52.86 52.65 2rgu s ASN 263 Cb -0.45 -1.97 -0.04 0.00 0.02 0.00 0.00 41.25 38.82 2rgu s ASN 263 CO 0.34 -0.09 1.15 -2.16 0.02 0.00 0.00 177.10 176.36 2rgu s PRO 264 N -3.66 3.12 0.49 -0.60 0.04 -1.26 -4.86 135.00 128.26 2rgu s PRO 264 Ca 0.37 1.63 0.08 0.00 0.04 0.00 0.00 61.00 63.13 2rgu s PRO 264 Cb -0.10 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.51 2rgu s PRO 264 CO 0.30 -1.04 0.63 0.95 0.04 0.00 0.00 177.00 177.88 2rgu s THR 265 N -1.84 2.52 -0.03 1.26 -4.23 -0.61 -4.88 115.64 107.83 2rgu s THR 265 Ca 0.73 -1.07 -0.12 0.00 -1.18 0.00 0.00 61.69 60.05 2rgu s THR 265 Cb -0.25 -2.59 0.02 0.00 1.34 0.00 0.00 72.50 71.02 2rgu s THR 265 CO 0.32 0.00 0.26 0.54 -0.54 0.00 0.00 174.62 175.20 2rgu s VAL 266 N -2.52 0.05 0.10 2.29 0.11 -1.26 -1.43 120.40 117.73 2rgu s VAL 266 Ca 0.56 -0.44 0.03 0.00 -2.93 0.00 0.00 61.98 59.20 2rgu s VAL 266 Cb -0.07 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 2rgu s VAL 266 CO 0.34 -0.24 -0.09 -0.54 -3.33 0.00 0.00 175.10 171.24 2rgu s LYS 267 N -1.06 0.82 -0.04 1.54 1.02 -0.42 -4.97 119.74 116.63 2rgu s LYS 267 Ca -0.11 -1.19 0.05 0.00 0.02 0.00 0.00 55.97 54.74 2rgu s LYS 267 Cb -0.05 -0.41 -0.01 0.00 -0.52 0.00 0.00 37.83 36.84 2rgu s LYS 267 CO 0.03 0.05 -0.19 0.12 -0.92 0.00 0.00 175.35 174.43 2rgu s PHE 268 N -2.76 1.86 0.06 3.18 5.36 -1.26 -0.94 117.98 123.49 2rgu s PHE 268 Ca 0.07 -0.48 0.01 0.00 -0.96 0.00 0.00 56.93 55.57 2rgu s PHE 268 Cb -0.01 -1.23 -0.03 0.00 -0.34 0.00 0.00 43.02 41.41 2rgu s PHE 268 CO -0.01 -0.13 -0.05 -0.06 -1.46 0.00 0.00 175.22 173.50 2rgu s PHE 269 N -0.17 0.66 -0.03 10.12 0.40 0.12 -1.26 117.98 127.82 2rgu s PHE 269 Ca 0.00 -0.80 -0.00 0.00 -0.60 0.00 0.00 56.93 55.52 2rgu s PHE 269 Cb -0.11 -0.41 0.03 0.00 0.51 0.00 0.00 43.02 43.04 2rgu s PHE 269 CO 0.01 -0.20 0.04 0.08 0.70 0.00 0.00 175.22 175.86 2rgu s VAL 270 N -2.88 -0.07 0.02 -0.44 1.01 -0.41 0.25 120.40 117.88 2rgu s VAL 270 Ca 0.02 0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.32 2rgu s VAL 270 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.26 2rgu s VAL 270 CO -0.04 0.10 -0.22 -0.69 0.00 0.00 0.00 175.10 174.25 2rgu s VAL 271 N 1.26 1.74 -0.48 2.92 1.01 -0.84 -1.77 120.40 124.25 2rgu s VAL 271 Ca -0.07 -1.10 -0.24 0.00 0.00 0.00 0.00 61.98 60.57 2rgu s VAL 271 Cb -0.13 -1.48 0.03 0.00 0.00 0.00 0.00 36.38 34.80 2rgu s VAL 271 CO -0.03 0.34 0.84 0.21 0.00 0.00 0.00 175.10 176.46 2rgu s ASN 272 N -0.90 6.40 0.00 3.32 3.84 -1.26 -1.53 114.94 124.80 2rgu s ASN 272 Ca 0.08 -0.17 0.09 0.00 0.21 0.00 0.00 52.86 53.07 2rgu s ASN 272 Cb -0.09 -2.40 0.31 0.00 -0.55 0.00 0.00 41.25 38.52 2rgu s ASN 272 CO 0.01 -1.02 1.24 0.35 -2.79 0.00 0.00 177.10 174.89 2rgu n THR 273 N 6.18 0.27 0.01 -5.21 -2.24 -0.11 -3.40 114.28 109.79 2rgu n THR 273 Ca 0.02 -0.28 -0.04 0.00 -2.27 0.00 0.00 64.05 61.48 2rgu n THR 273 Cb 0.48 0.14 -0.10 0.00 -2.10 0.00 0.00 70.33 68.75 2rgu n THR 273 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2rgu h ASP 274 N 1.31 0.00 -3.03 3.42 3.32 -1.92 -3.39 116.42 116.13 2rgu h ASP 274 Ca 0.00 0.00 -0.76 0.00 0.02 0.00 0.00 57.03 56.29 2rgu h ASP 274 Cb 0.30 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 39.53 2rgu h ASP 274 CO 0.00 0.76 0.33 -1.54 -1.72 0.00 0.00 179.24 177.07 2rgu n SER 275 N -2.97 5.39 -3.85 6.45 3.41 -1.22 -4.98 113.62 115.84 2rgu n SER 275 Ca -0.12 -3.28 -0.29 0.00 -0.26 0.00 0.00 58.87 54.92 2rgu n SER 275 Cb 0.93 -1.16 -0.16 0.00 -0.26 0.00 0.00 64.21 63.56 2rgu n SER 275 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2rgu s LEU 276 N -2.13 2.05 -0.14 1.04 1.43 -1.26 -4.93 118.68 114.74 2rgu s LEU 276 Ca 0.32 -1.07 -0.06 0.00 -1.03 0.00 0.00 54.13 52.28 2rgu s LEU 276 Cb 0.01 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 2rgu s LEU 276 CO 0.00 -0.27 0.07 -0.55 0.23 0.00 0.00 176.35 175.82 2rgu s SER 277 N 1.58 5.72 0.00 2.29 0.15 -1.26 -4.96 113.70 117.21 2rgu s SER 277 Ca -0.03 0.20 0.07 0.00 0.70 0.00 0.00 55.95 56.89 2rgu s SER 277 Cb -0.18 -1.86 0.30 0.00 -1.71 0.00 0.00 66.02 62.57 2rgu s SER 277 CO -0.08 0.29 1.21 -1.54 1.20 0.00 0.00 173.24 174.32 2rgu n SER 278 N 2.75 0.00 0.00 5.45 3.41 -1.26 -3.55 113.62 120.42 2rgu n SER 278 Ca -0.18 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 2rgu n SER 278 Cb 0.53 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 2rgu n SER 278 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2rgu n VAL 279 N -1.48 0.00 -2.07 -3.33 0.31 -1.26 -4.93 118.33 105.57 2rgu n VAL 279 Ca 0.02 0.01 -0.33 0.00 -0.01 0.00 0.00 64.34 64.03 2rgu n VAL 279 Cb 0.08 -0.02 0.01 0.00 -0.91 0.00 0.00 33.84 33.00 2rgu n VAL 279 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2rgu s THR 280 N -0.01 3.86 0.48 2.52 2.01 -1.23 -5.03 115.64 118.23 2rgu s THR 280 Ca 0.00 0.88 -0.19 0.00 0.31 0.00 0.00 61.69 62.70 2rgu s THR 280 Cb 0.00 -3.41 -0.09 0.00 0.01 0.00 0.00 72.50 69.01 2rgu s THR 280 CO 0.00 -0.52 0.98 0.20 -0.69 0.00 0.00 174.62 174.59 2rgu s ASN 281 N -2.80 6.70 0.05 3.53 0.01 -1.26 -4.43 114.94 116.73 2rgu s ASN 281 Ca 0.63 1.66 -0.31 0.00 -0.71 0.00 0.00 52.86 54.14 2rgu s ASN 281 Cb -0.16 -2.53 -0.07 0.00 0.41 0.00 0.00 41.25 38.91 2rgu s ASN 281 CO 0.36 -0.53 1.42 0.00 -1.51 0.00 0.00 177.10 176.84 2rgu s ALA 282 N -2.38 3.59 -0.23 0.60 0.00 -1.26 -4.99 121.76 117.10 2rgu s ALA 282 Ca 0.61 0.99 -0.19 0.00 0.00 0.00 0.00 51.96 53.37 2rgu s ALA 282 Cb -0.10 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 2rgu s ALA 282 CO 0.23 -0.83 0.58 0.99 0.00 0.00 0.00 175.76 176.73 2rgu s THR 283 N 1.98 5.04 -0.03 0.00 2.01 -1.26 -4.96 115.64 118.42 2rgu s THR 283 Ca 0.65 1.05 -0.12 0.00 0.31 0.00 0.00 61.69 63.58 2rgu s THR 283 Cb -0.34 -3.89 -0.05 0.00 0.01 0.00 0.00 72.50 68.23 2rgu s THR 283 CO 0.28 0.10 0.32 -0.44 -0.69 0.00 0.00 174.62 174.19 2rgu s SER 284 N 1.33 6.67 -0.16 3.53 0.01 -1.26 -4.59 113.70 119.23 2rgu s SER 284 Ca 0.25 0.79 -0.06 0.00 1.31 0.00 0.00 55.95 58.25 2rgu s SER 284 Cb -0.16 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 2rgu s SER 284 CO 0.09 0.35 0.04 -0.63 0.41 0.00 0.00 173.24 173.49 2rgu s ILE 285 N -1.08 4.57 0.13 1.44 -1.09 -0.73 -4.92 121.20 119.52 2rgu s ILE 285 Ca 0.21 -0.12 -0.10 0.00 -2.23 0.00 0.00 60.65 58.41 2rgu s ILE 285 Cb -0.15 -3.02 -0.06 0.00 -1.58 0.00 0.00 42.46 37.65 2rgu s ILE 285 CO 0.11 0.50 0.46 -1.58 -1.23 0.00 0.00 174.94 173.19 2rgu s GLN 286 N 0.07 3.79 -0.42 2.79 0.74 -1.26 -1.28 119.66 124.09 2rgu s GLN 286 Ca 0.04 0.21 0.03 0.00 0.05 0.00 0.00 55.36 55.69 2rgu s GLN 286 Cb -0.13 -2.89 0.12 0.00 1.10 0.00 0.00 33.01 31.21 2rgu s GLN 286 CO 0.01 0.48 0.17 0.42 -0.55 0.00 0.00 175.29 175.82 2rgu s ILE 287 N -1.54 1.94 0.93 -2.34 1.01 -0.39 -4.96 121.20 115.85 2rgu s ILE 287 Ca 0.38 -2.56 -0.12 0.00 0.00 0.00 0.00 60.65 58.35 2rgu s ILE 287 Cb -0.13 -2.39 0.09 0.00 0.01 0.00 0.00 42.46 40.04 2rgu s ILE 287 CO 0.20 -0.75 0.78 0.35 0.00 0.00 0.00 174.94 175.51 2rgu n THR 288 N 3.80 0.12 -2.30 2.92 -2.24 -1.26 -4.41 114.28 110.91 2rgu n THR 288 Ca 0.05 -0.11 -0.29 0.00 -2.27 0.00 0.00 64.05 61.43 2rgu n THR 288 Cb 0.37 -0.82 0.01 0.00 -2.10 0.00 0.00 70.33 67.79 2rgu n THR 288 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rgu s ALA 289 N -2.48 3.25 0.29 6.98 0.00 -1.26 -4.99 121.76 123.56 2rgu s ALA 289 Ca 0.62 -0.40 -0.28 0.00 0.00 0.00 0.00 51.96 51.90 2rgu s ALA 289 Cb -0.23 -2.77 -0.14 0.00 0.00 0.00 0.00 23.12 19.98 2rgu s ALA 289 CO 0.62 -0.59 1.06 -2.30 0.00 0.00 0.00 175.76 174.56 2rgu n PRO 290 N -2.52 1.48 -0.13 0.00 -0.02 -1.26 -4.75 135.00 127.80 2rgu n PRO 290 Ca 0.03 0.52 0.21 0.00 -2.02 0.00 0.00 63.50 62.24 2rgu n PRO 290 Cb 0.55 -1.93 0.62 0.00 -0.02 0.00 0.00 33.50 32.72 2rgu n PRO 290 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2rgu h ALA 291 N 2.15 2.45 0.00 3.55 0.00 -2.00 0.52 119.26 125.92 2rgu h ALA 291 Ca -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2rgu h ALA 291 Cb 1.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2rgu h ALA 291 CO 0.61 -0.66 0.00 -1.13 0.00 0.00 0.00 179.25 178.07 2rgu n SER 292 N -4.40 0.34 0.00 0.00 3.41 -1.26 -2.38 113.62 109.33 2rgu n SER 292 Ca 0.15 -1.58 0.00 0.00 -0.26 0.00 0.00 58.87 57.18 2rgu n SER 292 Cb 0.70 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2rgu n SER 292 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2rgu n MET 293 N -0.24 2.72 0.00 4.33 2.00 0.18 -4.74 117.12 121.37 2rgu n MET 293 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 57.70 57.83 2rgu n MET 293 Cb 0.08 -0.94 0.65 0.00 0.00 0.00 0.00 33.22 33.01 2rgu n MET 293 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2rgu n LEU 294 N -1.67 0.00 0.00 4.03 4.32 -1.00 -3.52 117.00 119.16 2rgu n LEU 294 Ca 0.00 0.37 0.12 0.00 -0.02 0.00 0.00 56.01 56.47 2rgu n LEU 294 Cb 0.31 -0.37 0.60 0.00 -1.62 0.00 0.00 43.42 42.35 2rgu n LEU 294 CO 0.00 -0.03 0.88 2.30 -1.22 0.00 0.00 177.39 179.32 2rgu n ILE 295 N -1.37 0.23 -3.60 -0.08 -5.35 -1.24 -4.88 119.36 103.07 2rgu n ILE 295 Ca 0.11 0.06 -0.01 0.00 -0.27 0.00 0.00 62.75 62.63 2rgu n ILE 295 Cb 0.26 -0.67 0.01 0.00 -1.74 0.00 0.00 39.64 37.49 2rgu n ILE 295 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2rgu n GLY 296 N 0.68 1.05 3.75 3.28 0.00 -1.23 -5.15 105.19 107.58 2rgu n GLY 296 Ca 0.12 -1.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 2rgu n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2rgu s ASP 297 N -1.92 5.32 0.22 1.61 1.01 -1.26 -4.93 116.67 116.71 2rgu s ASP 297 Ca 0.09 2.60 -0.20 0.00 0.71 0.00 0.00 52.55 55.75 2rgu s ASP 297 Cb -0.01 -2.62 0.03 0.00 1.01 0.00 0.00 42.92 41.33 2rgu s ASP 297 CO 0.02 -1.52 0.60 -1.38 0.21 0.00 0.00 175.17 173.10 2rgu s HIS 298 N -1.41 -0.21 0.21 4.23 -3.43 -1.26 -1.33 115.29 112.10 2rgu s HIS 298 Ca 0.73 -0.15 0.04 0.00 -0.80 0.00 0.00 55.06 54.87 2rgu s HIS 298 Cb -0.36 0.52 -0.05 0.00 -1.43 0.00 0.00 32.58 31.26 2rgu s HIS 298 CO 0.42 -1.02 -0.02 0.71 -2.00 0.00 0.00 174.74 172.84 2rgu s TYR 299 N -3.87 1.49 -0.14 0.38 2.02 0.40 -4.81 117.35 112.83 2rgu s TYR 299 Ca 0.09 -0.91 -0.14 0.00 -0.37 0.00 0.00 57.07 55.74 2rgu s TYR 299 Cb -0.03 -0.85 -0.05 0.00 -0.40 0.00 0.00 41.96 40.64 2rgu s TYR 299 CO -0.01 -0.04 0.31 -1.17 -1.57 0.00 0.00 175.55 173.07 2rgu s LEU 300 N -3.28 4.28 -0.16 -1.29 0.20 -1.26 -1.10 118.68 116.07 2rgu s LEU 300 Ca 0.26 0.58 0.05 0.00 0.69 0.00 0.00 54.13 55.71 2rgu s LEU 300 Cb 0.05 -2.41 -0.13 0.00 -0.43 0.00 0.00 46.19 43.28 2rgu s LEU 300 CO 0.07 0.13 -0.09 0.00 -0.29 0.00 0.00 176.35 176.18 2rgu s ASP 302 N -5.33 -0.15 -0.11 0.00 2.15 -1.18 -4.80 116.67 107.25 2rgu s ASP 302 Ca -0.18 -0.02 -0.03 0.00 0.43 0.00 0.00 52.55 52.75 2rgu s ASP 302 Cb 0.05 0.32 0.04 0.00 -0.30 0.00 0.00 42.92 43.03 2rgu s ASP 302 CO 0.45 -0.50 0.05 -0.69 -0.17 0.00 0.00 175.17 174.31 2rgu s VAL 303 N -1.73 0.12 -0.03 1.11 1.01 -1.26 -2.51 120.40 117.11 2rgu s VAL 303 Ca -0.11 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 2rgu s VAL 303 Cb -0.04 -0.50 0.03 0.00 0.00 0.00 0.00 36.38 35.87 2rgu s VAL 303 CO 0.02 0.01 0.06 -0.89 0.00 0.00 0.00 175.10 174.30 2rgu s THR 304 N 2.06 -0.05 0.20 3.92 2.01 -0.51 -5.00 115.64 118.28 2rgu s THR 304 Ca 0.03 0.17 -0.20 0.00 0.31 0.00 0.00 61.69 62.00 2rgu s THR 304 Cb -0.14 -0.11 -0.08 0.00 0.01 0.00 0.00 72.50 72.18 2rgu s THR 304 CO -0.06 0.07 0.71 0.26 -0.69 0.00 0.00 174.62 174.91 2rgu s TRP 305 N 0.88 3.68 -0.19 4.92 0.52 -1.26 0.66 118.94 128.15 2rgu s TRP 305 Ca -0.07 1.38 -0.15 0.00 0.02 0.00 0.00 56.10 57.28 2rgu s TRP 305 Cb -0.10 -2.61 -0.08 0.00 -1.15 0.00 0.00 33.47 29.53 2rgu s TRP 305 CO -0.03 0.37 -0.24 0.00 0.02 0.00 0.00 176.95 177.08 2rgu n ALA 306 N 0.87 0.82 -3.00 0.98 0.00 0.21 -4.89 120.51 115.51 2rgu n ALA 306 Ca -0.03 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2rgu n ALA 306 Cb 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2rgu n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2rgu n THR 307 N -4.45 0.00 0.01 0.00 -2.24 -1.16 -4.65 114.28 101.79 2rgu n THR 307 Ca -0.23 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.45 2rgu n THR 307 Cb 0.55 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.84 2rgu n THR 307 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2rgu h GLN 308 N 0.00 0.54 -0.45 -0.78 1.08 -1.97 -3.28 115.11 110.25 2rgu h GLN 308 Ca 0.00 -0.34 -0.30 0.00 -1.45 0.00 0.00 58.65 56.55 2rgu h GLN 308 Cb 0.00 0.04 -0.21 0.00 -0.05 0.00 0.00 27.48 27.26 2rgu h GLN 308 CO 0.00 0.95 -0.38 0.39 -0.95 0.00 0.00 178.83 178.84 2rgu n GLU 309 N -3.95 2.46 -3.69 1.46 4.71 -1.26 -4.90 120.64 115.46 2rgu n GLU 309 Ca -0.03 -3.58 -0.12 0.00 -0.01 0.00 0.00 57.16 53.42 2rgu n GLU 309 Cb 0.61 -1.96 -0.13 0.00 -1.01 0.00 0.00 31.44 28.95 2rgu n GLU 309 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 2rgu s ARG 310 N -3.42 0.22 -0.01 3.49 3.52 -1.24 -2.18 118.95 119.34 2rgu s ARG 310 Ca 0.47 0.69 0.08 0.00 -0.13 0.00 0.00 55.73 56.84 2rgu s ARG 310 Cb 0.41 -0.04 -0.02 0.00 -1.56 0.00 0.00 34.95 33.74 2rgu s ARG 310 CO -0.01 -0.22 -0.25 0.96 -0.81 0.00 0.00 175.30 174.98 2rgu s ILE 311 N 1.85 2.21 -0.26 4.11 -4.36 -0.63 0.67 121.20 124.79 2rgu s ILE 311 Ca -0.05 -1.13 -0.06 0.00 -0.26 0.00 0.00 60.65 59.15 2rgu s ILE 311 Cb -0.11 -1.80 -0.00 0.00 1.25 0.00 0.00 42.46 41.80 2rgu s ILE 311 CO -0.09 0.52 0.04 -0.55 0.24 0.00 0.00 174.94 175.10 2rgu s SER 312 N -0.80 4.86 -0.15 4.36 0.15 0.21 -0.81 113.70 121.52 2rgu s SER 312 Ca 0.11 -0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.27 2rgu s SER 312 Cb -0.10 -1.84 0.02 0.00 -1.71 0.00 0.00 66.02 62.38 2rgu s SER 312 CO 0.00 -0.10 -0.18 -0.76 1.20 0.00 0.00 173.24 173.40 2rgu s LEU 313 N 1.51 1.94 -0.23 3.45 1.43 0.82 -1.43 118.68 126.18 2rgu s LEU 313 Ca 0.04 -0.56 -0.07 0.00 -1.03 0.00 0.00 54.13 52.52 2rgu s LEU 313 Cb -0.16 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 2rgu s LEU 313 CO 0.01 0.01 0.05 -1.10 0.23 0.00 0.00 176.35 175.55 2rgu s GLN 314 N 1.15 3.70 0.14 1.70 -0.21 -1.04 0.17 119.66 125.27 2rgu s GLN 314 Ca -0.00 -0.47 0.04 0.00 0.02 0.00 0.00 55.36 54.95 2rgu s GLN 314 Cb -0.14 -3.25 -0.04 0.00 1.00 0.00 0.00 33.01 30.58 2rgu s GLN 314 CO -0.07 -0.07 0.15 -1.58 -2.12 0.00 0.00 175.29 171.60 2rgu s TRP 315 N 1.27 3.21 -0.02 0.91 0.52 -0.04 -0.10 118.94 124.69 2rgu s TRP 315 Ca 0.05 0.02 0.04 0.00 0.02 0.00 0.00 56.10 56.23 2rgu s TRP 315 Cb -0.15 -1.56 -0.01 0.00 -1.15 0.00 0.00 33.47 30.61 2rgu s TRP 315 CO 0.03 0.52 -0.13 -1.17 0.02 0.00 0.00 176.95 176.22 2rgu s LEU 316 N -2.98 1.97 0.42 2.99 0.20 -0.26 -1.86 118.68 119.16 2rgu s LEU 316 Ca 0.31 -0.25 -0.23 0.00 0.69 0.00 0.00 54.13 54.65 2rgu s LEU 316 Cb -0.11 -0.72 -0.10 0.00 -0.43 0.00 0.00 46.19 44.84 2rgu s LEU 316 CO 0.24 0.15 1.00 -0.13 -0.29 0.00 0.00 176.35 177.32 2rgu s ARG 317 N -0.20 4.17 0.21 1.98 0.52 -0.90 -0.45 118.95 124.28 2rgu s ARG 317 Ca 0.03 1.32 0.12 0.00 -0.52 0.00 0.00 55.73 56.68 2rgu s ARG 317 Cb -0.07 -2.36 0.65 0.00 0.52 0.00 0.00 34.95 33.69 2rgu s ARG 317 CO -0.00 -0.10 1.32 -2.13 0.02 0.00 0.00 175.30 174.40 2rgu n ARG 318 N -0.36 0.08 -3.46 3.54 0.63 -0.45 -2.29 116.66 114.36 2rgu n ARG 318 Ca 0.06 0.55 -0.43 0.00 -0.92 0.00 0.00 57.85 57.10 2rgu n ARG 318 Cb 0.52 -1.86 -0.05 0.00 0.45 0.00 0.00 32.46 31.52 2rgu n ARG 318 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2rgu s ILE 319 N -3.25 4.94 0.00 5.15 1.01 -1.26 -4.90 121.20 122.89 2rgu s ILE 319 Ca -0.01 -2.53 0.00 0.00 0.00 0.00 0.00 60.65 58.11 2rgu s ILE 319 Cb 0.03 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.40 2rgu s ILE 319 CO 0.11 -0.96 0.24 0.00 0.00 0.00 0.00 174.94 174.33 2rgu n GLN 320 N 3.95 0.00 -0.58 2.79 6.02 -0.97 -3.69 117.38 124.89 2rgu n GLN 320 Ca 0.09 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.11 2rgu n GLN 320 Cb 0.43 -1.38 0.05 0.00 1.02 0.00 0.00 30.24 30.37 2rgu n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2rgu n ASN 321 N 2.39 0.79 -3.53 1.08 6.94 -1.26 -1.21 115.26 120.46 2rgu n ASN 321 Ca 0.00 -2.37 -0.06 0.00 -0.02 0.00 0.00 54.58 52.14 2rgu n ASN 321 Cb 0.00 -0.29 -0.07 0.00 -2.36 0.00 0.00 39.78 37.06 2rgu n ASN 321 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 2rgu s TYR 322 N -0.84 -1.00 0.03 -2.53 6.14 -1.24 -2.90 117.35 115.00 2rgu s TYR 322 Ca 0.15 1.55 0.01 0.00 0.64 0.00 0.00 57.07 59.41 2rgu s TYR 322 Cb 0.15 0.37 -0.02 0.00 0.42 0.00 0.00 41.96 42.88 2rgu s TYR 322 CO -0.03 -0.62 -0.05 -1.54 0.64 0.00 0.00 175.55 173.96 2rgu s SER 323 N 2.68 0.47 -0.07 4.32 1.04 -0.74 -2.12 113.70 119.27 2rgu s SER 323 Ca 0.03 -0.57 0.01 0.00 0.48 0.00 0.00 55.95 55.91 2rgu s SER 323 Cb -0.13 0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.09 2rgu s SER 323 CO -0.16 -0.30 -0.10 -0.69 0.98 0.00 0.00 173.24 172.98 2rgu s VAL 324 N -1.68 1.00 0.03 5.02 1.01 -0.78 -1.06 120.40 123.94 2rgu s VAL 324 Ca -0.12 -0.37 -0.18 0.00 0.00 0.00 0.00 61.98 61.31 2rgu s VAL 324 Cb -0.08 -0.95 -0.06 0.00 0.00 0.00 0.00 36.38 35.29 2rgu s VAL 324 CO -0.01 0.33 0.50 -0.32 0.00 0.00 0.00 175.10 175.60 2rgu s MET 325 N 0.92 4.11 -0.11 2.72 1.75 -0.69 -0.86 119.30 127.14 2rgu s MET 325 Ca -0.10 0.59 0.03 0.00 -1.25 0.00 0.00 55.69 54.96 2rgu s MET 325 Cb -0.15 -3.25 0.01 0.00 2.84 0.00 0.00 34.83 34.28 2rgu s MET 325 CO 0.01 0.61 -0.21 0.34 -0.65 0.00 0.00 175.02 175.12 2rgu s ASP 326 N -0.93 2.88 -0.42 1.11 2.15 0.44 -2.95 116.67 118.95 2rgu s ASP 326 Ca 0.27 -0.53 -0.08 0.00 0.43 0.00 0.00 52.55 52.64 2rgu s ASP 326 Cb -0.18 -1.32 0.08 0.00 -0.30 0.00 0.00 42.92 41.21 2rgu s ASP 326 CO 0.16 0.10 0.25 -0.63 -0.17 0.00 0.00 175.17 174.87 2rgu s ILE 327 N 0.64 4.04 -0.13 4.11 1.01 -1.26 -0.13 121.20 129.48 2rgu s ILE 327 Ca -0.12 -1.51 -0.05 0.00 0.00 0.00 0.00 60.65 58.97 2rgu s ILE 327 Cb -0.16 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 2rgu s ILE 327 CO 0.03 -0.53 0.04 0.00 0.00 0.00 0.00 174.94 174.48 2rgu s ASP 329 N -0.34 4.52 -0.21 0.00 1.01 -0.64 -1.60 116.67 119.41 2rgu s ASP 329 Ca 0.08 -0.07 -0.29 0.00 0.71 0.00 0.00 52.55 52.98 2rgu s ASP 329 Cb -0.12 -1.18 0.00 0.00 1.01 0.00 0.00 42.92 42.63 2rgu s ASP 329 CO 0.02 0.34 1.08 -0.47 0.21 0.00 0.00 175.17 176.35 2rgu s TYR 330 N -0.65 3.25 -0.46 4.23 5.04 -0.92 -0.62 117.35 127.21 2rgu s TYR 330 Ca 0.10 1.38 -0.27 0.00 -2.44 0.00 0.00 57.07 55.83 2rgu s TYR 330 Cb -0.11 -3.32 0.03 0.00 0.35 0.00 0.00 41.96 38.91 2rgu s TYR 330 CO 0.02 -0.72 1.04 0.34 -1.34 0.00 0.00 175.55 174.88 2rgu s ASP 331 N 1.35 6.60 0.55 4.32 -1.08 0.80 -4.90 116.67 124.32 2rgu s ASP 331 Ca 0.46 0.37 0.33 0.00 -0.52 0.00 0.00 52.55 53.19 2rgu s ASP 331 Cb -0.16 -2.51 1.48 0.00 -1.46 0.00 0.00 42.92 40.27 2rgu s ASP 331 CO 0.08 -1.13 2.04 -0.08 0.52 0.00 0.00 175.17 176.60 2rgu h GLU 332 N 9.06 0.00 0.13 4.34 4.81 -1.94 -0.38 114.58 130.60 2rgu h GLU 332 Ca -0.23 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.68 2rgu h GLU 332 Cb 1.07 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 2rgu h GLU 332 CO 1.08 0.06 -1.61 0.66 -0.73 0.00 0.00 179.01 178.47 2rgu h SER 333 N 0.00 0.43 -0.40 1.04 4.64 -1.96 -3.34 113.55 113.96 2rgu h SER 333 Ca -0.00 -0.63 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 2rgu h SER 333 Cb 0.43 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2rgu h SER 333 CO 0.01 1.53 0.00 -1.54 -0.87 0.00 0.00 176.83 175.96 2rgu n SER 334 N -3.47 3.50 -1.58 4.97 3.41 -1.19 -4.93 113.62 114.33 2rgu n SER 334 Ca -0.19 -1.99 -0.13 0.00 -0.26 0.00 0.00 58.87 56.30 2rgu n SER 334 Cb 1.05 -0.26 -0.04 0.00 -0.26 0.00 0.00 64.21 64.70 2rgu n SER 334 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rgu n GLY 335 N 1.50 0.86 2.19 5.00 0.00 -0.17 -4.91 105.19 109.65 2rgu n GLY 335 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 2rgu n GLY 335 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rgu n ARG 336 N -2.03 0.89 -3.75 1.61 1.74 -1.08 -4.91 116.66 109.13 2rgu n ARG 336 Ca -0.13 -1.85 -0.24 0.00 -0.77 0.00 0.00 57.85 54.87 2rgu n ARG 336 Cb 0.45 0.02 -0.17 0.00 -1.02 0.00 0.00 32.46 31.73 2rgu n ARG 336 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2rgu s TRP 337 N -1.26 0.65 -0.14 -1.55 0.52 -1.26 -0.14 118.94 115.76 2rgu s TRP 337 Ca 0.27 -0.25 0.01 0.00 0.02 0.00 0.00 56.10 56.15 2rgu s TRP 337 Cb -0.02 -0.81 -0.01 0.00 -1.15 0.00 0.00 33.47 31.49 2rgu s TRP 337 CO 0.17 -0.37 -0.16 -0.80 0.02 0.00 0.00 176.95 175.81 2rgu s ASN 338 N 1.98 3.64 -0.68 2.95 0.01 0.21 -4.88 114.94 118.17 2rgu s ASN 338 Ca 0.04 -0.45 -0.04 0.00 -0.71 0.00 0.00 52.86 51.71 2rgu s ASN 338 Cb -0.13 -1.55 0.18 0.00 0.41 0.00 0.00 41.25 40.16 2rgu s ASN 338 CO -0.06 0.12 0.52 0.00 -1.51 0.00 0.00 177.10 176.17 2rgu n LEU 340 N 3.35 2.52 0.20 0.00 4.32 -1.26 -4.77 117.00 121.36 2rgu n LEU 340 Ca 0.10 0.86 0.12 0.00 -0.02 0.00 0.00 56.01 57.08 2rgu n LEU 340 Cb 0.38 -1.22 0.65 0.00 -1.62 0.00 0.00 43.42 41.62 2rgu n LEU 340 CO 0.34 -0.43 0.89 0.58 -1.22 0.00 0.00 177.39 177.55 2rgu h VAL 341 N 5.85 0.00 -0.20 4.08 2.07 -1.96 -1.80 116.25 124.29 2rgu h VAL 341 Ca -0.41 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 66.95 2rgu h VAL 341 Cb 1.31 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2rgu h VAL 341 CO 0.98 0.00 -0.54 0.00 0.02 0.00 0.00 177.57 178.03 2rgu h ALA 342 N 1.83 0.68 -0.71 1.67 0.00 -2.02 -3.29 119.26 117.43 2rgu h ALA 342 Ca 0.00 -0.51 -0.40 0.00 0.00 0.00 0.00 54.91 54.00 2rgu h ALA 342 Cb 0.14 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 17.63 2rgu h ALA 342 CO 0.00 0.69 0.51 2.89 0.00 0.00 0.00 179.25 183.33 2rgu n ARG 343 N -3.97 1.96 -3.12 0.00 1.85 -0.67 -4.95 116.66 107.76 2rgu n ARG 343 Ca -0.03 -2.18 -0.31 0.00 -1.00 0.00 0.00 57.85 54.33 2rgu n ARG 343 Cb 0.60 -1.85 -0.04 0.00 -1.05 0.00 0.00 32.46 30.11 2rgu n ARG 343 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2rgu s GLN 344 N -2.43 3.82 0.02 2.89 -0.21 -1.24 -4.64 119.66 117.87 2rgu s GLN 344 Ca 0.42 0.41 0.07 0.00 0.02 0.00 0.00 55.36 56.28 2rgu s GLN 344 Cb 0.34 -2.49 -0.03 0.00 1.00 0.00 0.00 33.01 31.83 2rgu s GLN 344 CO 0.06 0.13 -0.21 -1.01 -2.12 0.00 0.00 175.29 172.13 2rgu s HIS 345 N -2.11 2.48 -0.06 0.91 3.76 -1.15 -4.99 115.29 114.13 2rgu s HIS 345 Ca 0.50 -0.31 0.04 0.00 -0.15 0.00 0.00 55.06 55.14 2rgu s HIS 345 Cb -0.10 -1.47 -0.02 0.00 1.11 0.00 0.00 32.58 32.09 2rgu s HIS 345 CO 0.25 0.18 -0.16 0.42 -0.85 0.00 0.00 174.74 174.58 2rgu s ILE 346 N -0.83 2.92 -0.10 0.60 1.01 -1.26 -1.70 121.20 121.84 2rgu s ILE 346 Ca 0.13 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 60.05 2rgu s ILE 346 Cb -0.10 -2.14 -0.00 0.00 0.01 0.00 0.00 42.46 40.22 2rgu s ILE 346 CO 0.03 0.58 -0.23 -1.61 0.00 0.00 0.00 174.94 173.71 2rgu s GLU 347 N -0.54 3.07 0.02 2.79 0.41 -0.23 -5.01 118.70 119.21 2rgu s GLU 347 Ca 0.07 -0.86 -0.05 0.00 -0.41 0.00 0.00 54.97 53.72 2rgu s GLU 347 Cb -0.11 -2.33 -0.01 0.00 -1.78 0.00 0.00 34.13 29.90 2rgu s GLU 347 CO 0.01 0.19 0.09 -1.64 -0.49 0.00 0.00 175.26 173.42 2rgu s MET 348 N 0.33 0.47 -0.07 1.61 -1.94 -1.26 -1.79 119.30 116.64 2rgu s MET 348 Ca -0.18 -0.54 0.01 0.00 -1.71 0.00 0.00 55.69 53.27 2rgu s MET 348 Cb -0.18 0.19 0.02 0.00 2.01 0.00 0.00 34.83 36.87 2rgu s MET 348 CO 0.09 -0.11 -0.08 0.45 -0.01 0.00 0.00 175.02 175.35 2rgu s SER 349 N -1.60 1.66 -0.13 3.03 0.15 -1.14 -4.97 113.70 110.70 2rgu s SER 349 Ca -0.13 -0.25 -0.03 0.00 0.70 0.00 0.00 55.95 56.25 2rgu s SER 349 Cb -0.06 -0.72 -0.25 0.00 -1.71 0.00 0.00 66.02 63.28 2rgu s SER 349 CO -0.01 -0.04 0.31 0.35 1.20 0.00 0.00 173.24 175.05 2rgu n THR 350 N 4.24 1.72 0.30 6.45 -2.24 -1.26 -4.28 114.28 119.20 2rgu n THR 350 Ca -0.20 -0.66 0.12 0.00 -2.27 0.00 0.00 64.05 61.04 2rgu n THR 350 Cb 0.51 -1.59 0.22 0.00 -2.10 0.00 0.00 70.33 67.36 2rgu n THR 350 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2rgu h THR 351 N 0.05 0.00 0.00 4.28 1.35 -1.99 -3.48 112.91 113.12 2rgu h THR 351 Ca -0.44 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.53 2rgu h THR 351 Cb 2.02 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 70.33 2rgu h THR 351 CO 0.06 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 2rgu n GLY 352 N 1.14 1.74 2.89 5.82 0.00 -1.26 -4.87 105.19 110.65 2rgu n GLY 352 Ca 0.04 0.28 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 2rgu n GLY 352 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2rgu n TRP 353 N 0.00 -0.14 -3.51 1.61 2.14 -1.26 -4.65 117.44 111.62 2rgu n TRP 353 Ca 0.00 -1.85 -0.37 0.00 2.07 0.00 0.00 57.50 57.36 2rgu n TRP 353 Cb 0.00 -0.31 -0.07 0.00 -0.81 0.00 0.00 31.31 30.12 2rgu n TRP 353 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 2rgu s VAL 354 N -2.22 5.29 0.10 -1.67 1.01 -0.35 -4.64 120.40 117.92 2rgu s VAL 354 Ca 0.15 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.72 2rgu s VAL 354 Cb -0.01 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.71 2rgu s VAL 354 CO 0.09 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.19 2rgu n GLY 355 N 3.36 -1.77 0.11 4.51 0.00 -1.26 -3.60 105.19 106.54 2rgu n GLY 355 Ca -0.11 -1.42 -0.14 0.00 0.00 0.00 0.00 46.02 44.35 2rgu n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2rgu h ARG 356 N -0.33 0.26 0.00 1.61 3.08 -1.95 -3.39 114.38 113.66 2rgu h ARG 356 Ca -0.01 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.88 2rgu h ARG 356 Cb 0.32 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2rgu h ARG 356 CO 0.01 0.73 0.00 1.19 -1.07 0.00 0.00 179.97 180.83 2rgu n PHE 357 N -4.59 0.00 0.00 3.04 3.72 -1.26 -4.91 117.46 113.45 2rgu n PHE 357 Ca -0.07 -0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2rgu n PHE 357 Cb 0.37 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 2rgu n PHE 357 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 2rgu n ARG 358 N -0.00 0.00 -1.64 -1.08 1.85 -1.24 -5.00 116.66 109.55 2rgu n ARG 358 Ca 0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 57.85 56.37 2rgu n ARG 358 Cb 0.21 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.57 2rgu n ARG 358 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2rgu n PRO 359 N -0.39 1.81 -0.62 2.89 -0.02 -1.24 -4.18 135.00 133.25 2rgu n PRO 359 Ca 0.00 0.65 -0.29 0.00 -2.02 0.00 0.00 63.50 61.84 2rgu n PRO 359 Cb 0.00 -2.36 0.22 0.00 -0.02 0.00 0.00 33.50 31.34 2rgu n PRO 359 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2rgu s SER 360 N 0.67 1.74 0.01 2.55 1.04 -1.26 -4.93 113.70 113.51 2rgu s SER 360 Ca 0.79 1.76 -0.21 0.00 0.48 0.00 0.00 55.95 58.77 2rgu s SER 360 Cb -0.76 -2.40 -0.06 0.00 0.10 0.00 0.00 66.02 62.91 2rgu s SER 360 CO 0.42 -3.77 0.62 -0.70 0.98 0.00 0.00 173.24 170.80 2rgu s GLU 361 N -4.54 4.34 0.42 4.02 2.12 -1.26 -4.91 118.70 118.88 2rgu s GLU 361 Ca 0.68 0.79 -0.21 0.00 0.36 0.00 0.00 54.97 56.59 2rgu s GLU 361 Cb -0.24 -3.33 -0.11 0.00 0.26 0.00 0.00 34.13 30.71 2rgu s GLU 361 CO 0.62 0.39 0.94 -1.25 -0.54 0.00 0.00 175.26 175.42 2rgu s PRO 362 N -0.29 4.24 -0.39 4.30 0.04 -1.26 -4.61 135.00 137.03 2rgu s PRO 362 Ca 0.32 1.11 0.02 0.00 0.04 0.00 0.00 61.00 62.49 2rgu s PRO 362 Cb -0.19 -2.23 0.12 0.00 0.04 0.00 0.00 34.50 32.24 2rgu s PRO 362 CO 0.18 -0.00 0.16 -1.01 0.04 0.00 0.00 177.00 176.37 2rgu s HIS 363 N -2.14 2.33 0.41 0.56 3.76 -0.65 -4.97 115.29 114.60 2rgu s HIS 363 Ca 0.61 -2.38 -0.25 0.00 -0.15 0.00 0.00 55.06 52.89 2rgu s HIS 363 Cb -0.10 -2.11 -0.08 0.00 1.11 0.00 0.00 32.58 31.40 2rgu s HIS 363 CO 0.14 -0.84 1.16 -0.06 -0.85 0.00 0.00 174.74 174.29 2rgu s PHE 364 N 0.80 3.03 0.50 1.40 0.08 -1.26 -2.14 117.98 120.39 2rgu s PHE 364 Ca 0.14 1.55 -0.20 0.00 0.12 0.00 0.00 56.93 58.54 2rgu s PHE 364 Cb -0.21 -3.37 -0.08 0.00 -0.57 0.00 0.00 43.02 38.79 2rgu s PHE 364 CO -0.09 -1.32 1.05 0.95 -0.10 0.00 0.00 175.22 175.71 2rgu s THR 365 N -1.46 3.71 0.44 0.64 -4.23 -0.70 -4.88 115.64 109.16 2rgu s THR 365 Ca 0.59 1.05 0.33 0.00 -1.18 0.00 0.00 61.69 62.48 2rgu s THR 365 Cb -0.29 -3.43 0.51 0.00 1.34 0.00 0.00 72.50 70.63 2rgu s THR 365 CO 0.37 -0.24 1.51 -0.11 -0.54 0.00 0.00 174.62 175.61 2rgu n LEU 366 N -1.06 0.19 0.05 4.79 0.00 -1.26 0.25 117.00 119.95 2rgu n LEU 366 Ca 0.10 1.31 0.13 0.00 0.00 0.00 0.00 56.01 57.55 2rgu n LEU 366 Cb 0.52 -0.64 0.43 0.00 0.00 0.00 0.00 43.42 43.73 2rgu n LEU 366 CO 0.40 -1.41 0.79 -0.90 0.00 0.00 0.00 177.39 176.27 2rgu n ASP 367 N -4.58 0.48 0.00 1.96 5.68 -1.26 -4.91 116.55 113.92 2rgu n ASP 367 Ca 0.39 0.40 0.00 0.00 -0.50 0.00 0.00 54.79 55.09 2rgu n ASP 367 Cb 1.56 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 41.09 2rgu n ASP 367 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rgu n GLY 368 N 1.40 1.66 0.04 6.12 0.00 0.14 -4.92 105.19 109.63 2rgu n GLY 368 Ca 0.06 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.22 2rgu n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2rgu n ASN 369 N 0.00 0.15 -3.12 1.61 3.02 -1.26 -4.89 115.26 110.78 2rgu n ASN 369 Ca 0.00 -0.37 -0.12 0.00 -0.03 0.00 0.00 54.58 54.07 2rgu n ASN 369 Cb 0.00 -0.19 -0.01 0.00 -0.61 0.00 0.00 39.78 38.97 2rgu n ASN 369 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2rgu s SER 370 N -2.49 0.47 -0.15 6.41 1.04 -1.26 -1.35 113.70 116.37 2rgu s SER 370 Ca 0.30 -1.31 -0.34 0.00 0.48 0.00 0.00 55.95 55.09 2rgu s SER 370 Cb 0.20 0.75 0.13 0.00 0.10 0.00 0.00 66.02 67.21 2rgu s SER 370 CO 0.46 -1.48 1.18 0.72 0.98 0.00 0.00 173.24 175.10 2rgu s PHE 371 N -2.74 -0.14 0.06 5.02 -0.12 0.02 -1.71 117.98 118.37 2rgu s PHE 371 Ca 0.23 0.08 0.06 0.00 -0.05 0.00 0.00 56.93 57.25 2rgu s PHE 371 Cb -0.03 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 2rgu s PHE 371 CO 0.16 -0.25 -0.12 0.71 -0.05 0.00 0.00 175.22 175.67 2rgu s TYR 372 N -2.50 2.72 -0.15 3.49 1.51 -0.91 -0.13 117.35 121.38 2rgu s TYR 372 Ca 0.09 -0.16 -0.12 0.00 -1.01 0.00 0.00 57.07 55.87 2rgu s TYR 372 Cb -0.01 -1.48 0.04 0.00 -0.11 0.00 0.00 41.96 40.41 2rgu s TYR 372 CO -0.05 0.37 0.40 0.21 -1.11 0.00 0.00 175.55 175.36 2rgu s LYS 373 N -1.80 0.44 0.01 -0.62 2.20 -0.62 -1.63 119.74 117.71 2rgu s LYS 373 Ca 0.18 0.62 -0.30 0.00 -0.36 0.00 0.00 55.97 56.11 2rgu s LYS 373 Cb -0.11 0.15 -0.05 0.00 -1.51 0.00 0.00 37.83 36.31 2rgu s LYS 373 CO 0.10 -0.09 1.25 0.42 -0.36 0.00 0.00 175.35 176.67 2rgu s ILE 374 N 0.56 4.01 0.02 5.43 1.01 -1.26 -1.72 121.20 129.25 2rgu s ILE 374 Ca -0.03 1.40 0.02 0.00 0.00 0.00 0.00 60.65 62.04 2rgu s ILE 374 Cb -0.04 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 2rgu s ILE 374 CO -0.03 0.04 -0.07 -0.63 0.00 0.00 0.00 174.94 174.25 2rgu s ILE 375 N 1.79 0.54 -0.13 2.92 -1.09 -0.33 -4.60 121.20 120.30 2rgu s ILE 375 Ca 0.59 -0.65 -0.29 0.00 -2.23 0.00 0.00 60.65 58.07 2rgu s ILE 375 Cb -0.28 -0.53 -0.02 0.00 -1.58 0.00 0.00 42.46 40.05 2rgu s ILE 375 CO 0.26 -0.09 1.31 -0.55 -1.23 0.00 0.00 174.94 174.64 2rgu s SER 376 N -0.81 6.92 0.00 3.58 0.15 -1.26 -1.53 113.70 120.75 2rgu s SER 376 Ca -0.03 1.79 0.00 0.00 0.70 0.00 0.00 55.95 58.41 2rgu s SER 376 Cb -0.06 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2rgu s SER 376 CO 0.00 -0.76 0.00 -0.46 1.20 0.00 0.00 173.24 173.22 2rgu n ASN 377 N 6.49 0.00 0.16 5.45 2.04 0.19 -4.89 115.26 124.70 2rgu n ASN 377 Ca 0.14 0.00 -0.13 0.00 -0.44 0.00 0.00 54.58 54.15 2rgu n ASN 377 Cb 0.45 0.00 -0.08 0.00 -2.53 0.00 0.00 39.78 37.62 2rgu n ASN 377 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 2rgu h GLU 378 N 0.00 -0.42 0.00 -3.83 5.08 -1.95 -3.01 114.58 110.45 2rgu h GLU 378 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2rgu h GLU 378 Cb 0.00 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2rgu h GLU 378 CO 0.00 -0.09 0.00 0.39 -1.00 0.00 0.00 179.01 178.31 2rgu n GLU 379 N -5.13 0.18 -0.28 2.33 4.71 -1.26 -4.84 120.64 116.35 2rgu n GLU 379 Ca -0.09 0.14 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 2rgu n GLU 379 Cb 0.27 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.20 2rgu n GLU 379 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2rgu n GLY 380 N -0.49 0.68 3.91 0.62 0.00 -1.14 -4.77 105.19 104.01 2rgu n GLY 380 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 2rgu n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rgu s TYR 381 N -2.46 3.48 -0.27 1.61 1.51 -1.26 -0.52 117.35 119.44 2rgu s TYR 381 Ca 0.00 0.51 -0.17 0.00 -1.01 0.00 0.00 57.07 56.40 2rgu s TYR 381 Cb 0.00 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.84 2rgu s TYR 381 CO 0.00 0.34 0.49 1.03 -1.11 0.00 0.00 175.55 176.30 2rgu s ARG 382 N -3.13 4.03 0.22 -0.62 0.52 -1.26 -0.64 118.95 118.08 2rgu s ARG 382 Ca 0.41 0.24 0.02 0.00 -0.52 0.00 0.00 55.73 55.87 2rgu s ARG 382 Cb -0.11 -3.66 -0.05 0.00 0.52 0.00 0.00 34.95 31.64 2rgu s ARG 382 CO 0.27 -0.36 0.05 -1.01 0.02 0.00 0.00 175.30 174.27 2rgu s HIS 383 N 2.27 1.42 0.10 -0.53 3.76 -0.58 -0.77 115.29 120.96 2rgu s HIS 383 Ca 0.20 -1.08 -0.30 0.00 -0.15 0.00 0.00 55.06 53.72 2rgu s HIS 383 Cb -0.16 -0.83 -0.06 0.00 1.11 0.00 0.00 32.58 32.65 2rgu s HIS 383 CO 0.10 -0.24 1.13 0.42 -0.85 0.00 0.00 174.74 175.30 2rgu s ILE 384 N -3.66 4.07 0.01 0.60 1.01 -1.26 -1.18 121.20 120.78 2rgu s ILE 384 Ca 0.31 1.59 0.08 0.00 0.00 0.00 0.00 60.65 62.63 2rgu s ILE 384 Cb 0.07 -4.02 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 2rgu s ILE 384 CO 0.09 0.18 -0.25 0.00 0.00 0.00 0.00 174.94 174.97 2rgu s TYR 386 N -0.67 3.13 -0.08 0.00 5.04 0.15 -1.60 117.35 123.32 2rgu s TYR 386 Ca 0.10 -0.26 0.01 0.00 -2.44 0.00 0.00 57.07 54.49 2rgu s TYR 386 Cb -0.10 -2.21 -0.02 0.00 0.35 0.00 0.00 41.96 39.98 2rgu s TYR 386 CO 0.00 -0.22 -0.11 -0.06 -1.34 0.00 0.00 175.55 173.82 2rgu s PHE 387 N 1.32 2.81 -0.25 4.97 0.40 0.82 -0.05 117.98 128.01 2rgu s PHE 387 Ca 0.05 -0.25 -0.01 0.00 -0.60 0.00 0.00 56.93 56.12 2rgu s PHE 387 Cb -0.15 -1.73 0.03 0.00 0.51 0.00 0.00 43.02 41.69 2rgu s PHE 387 CO 0.04 0.11 -0.06 -0.65 0.70 0.00 0.00 175.22 175.35 2rgu s GLN 388 N -0.40 2.79 0.13 0.44 -0.21 -1.26 -0.80 119.66 120.35 2rgu s GLN 388 Ca 0.05 -1.01 -0.04 0.00 0.02 0.00 0.00 55.36 54.38 2rgu s GLN 388 Cb -0.12 -2.98 0.21 0.00 1.00 0.00 0.00 33.01 31.11 2rgu s GLN 388 CO 0.02 -0.42 0.72 -0.89 -2.12 0.00 0.00 175.29 172.61 2rgu n ILE 389 N 4.65 -0.19 -1.37 1.08 5.41 -0.45 -1.61 119.36 126.88 2rgu n ILE 389 Ca -0.16 1.06 -0.11 0.00 1.00 0.00 0.00 62.75 64.54 2rgu n ILE 389 Cb 0.47 -1.47 0.20 0.00 -0.71 0.00 0.00 39.64 38.13 2rgu n ILE 389 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2rgu n ASP 390 N -4.75 2.97 -4.17 4.38 8.00 -1.26 -4.85 116.55 116.87 2rgu n ASP 390 Ca 0.07 -3.71 -0.19 0.00 0.71 0.00 0.00 54.79 51.68 2rgu n ASP 390 Cb 0.23 -0.71 -0.12 0.00 -0.02 0.00 0.00 41.12 40.50 2rgu n ASP 390 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2rgu s LYS 391 N -3.26 0.83 0.59 -1.24 1.02 -0.64 -5.10 119.74 111.94 2rgu s LYS 391 Ca 0.49 -0.92 -0.16 0.00 0.02 0.00 0.00 55.97 55.40 2rgu s LYS 391 Cb 0.43 -0.84 -0.04 0.00 -0.52 0.00 0.00 37.83 36.86 2rgu s LYS 391 CO 0.04 0.19 1.05 -1.59 -0.92 0.00 0.00 175.35 174.12 2rgu s LYS 392 N -1.65 3.37 0.63 1.68 -2.85 -1.26 -4.63 119.74 115.03 2rgu s LYS 392 Ca -0.02 1.17 0.00 0.00 -1.00 0.00 0.00 55.97 56.12 2rgu s LYS 392 Cb -0.10 -2.04 0.00 0.00 -2.06 0.00 0.00 37.83 33.63 2rgu s LYS 392 CO 0.02 -0.76 0.00 -0.25 0.10 0.00 0.00 175.35 174.46 2rgu n ASP 393 N -2.02 -7.30 -4.30 0.03 8.00 -1.26 -4.97 116.55 104.72 2rgu n ASP 393 Ca 0.08 1.11 -0.19 0.00 0.71 0.00 0.00 54.79 56.51 2rgu n ASP 393 Cb 0.53 -3.16 -0.10 0.00 -0.02 0.00 0.00 41.12 38.37 2rgu n ASP 393 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rgu s THR 395 N -3.59 3.04 -0.03 0.00 2.01 0.93 -4.83 115.64 113.16 2rgu s THR 395 Ca 0.36 -0.76 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 2rgu s THR 395 Cb 0.07 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 2rgu s THR 395 CO 0.15 0.34 1.35 -0.36 -0.69 0.00 0.00 174.62 175.40 2rgu s PHE 396 N 1.40 2.88 -1.37 4.92 0.08 -1.26 0.33 117.98 124.95 2rgu s PHE 396 Ca 0.03 0.90 0.17 0.00 0.12 0.00 0.00 56.93 58.16 2rgu s PHE 396 Cb -0.15 -3.60 0.54 0.00 -0.57 0.00 0.00 43.02 39.24 2rgu s PHE 396 CO -0.05 -2.17 1.45 0.44 -0.10 0.00 0.00 175.22 174.80 2rgu n ILE 397 N 4.77 1.22 -3.71 0.64 -5.35 -0.26 -4.93 119.36 111.75 2rgu n ILE 397 Ca 0.13 -1.08 -0.13 0.00 -0.27 0.00 0.00 62.75 61.39 2rgu n ILE 397 Cb 0.44 0.39 -0.08 0.00 -1.74 0.00 0.00 39.64 38.66 2rgu n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2rgu s THR 398 N -1.25 0.06 -0.04 7.28 -4.23 -1.25 -4.93 115.64 111.28 2rgu s THR 398 Ca 0.40 -0.46 -0.29 0.00 -1.18 0.00 0.00 61.69 60.17 2rgu s THR 398 Cb 0.23 -0.79 0.09 0.00 1.34 0.00 0.00 72.50 73.36 2rgu s THR 398 CO 0.25 -0.25 0.77 -0.54 -0.54 0.00 0.00 174.62 174.31 2rgu s LYS 399 N -1.80 0.95 0.00 3.99 3.01 -1.26 -4.63 119.74 120.00 2rgu s LYS 399 Ca -0.10 0.03 0.00 0.00 -1.01 0.00 0.00 55.97 54.90 2rgu s LYS 399 Cb -0.03 0.44 0.00 0.00 -1.01 0.00 0.00 37.83 37.23 2rgu s LYS 399 CO 0.02 -0.34 0.00 0.41 0.51 0.00 0.00 175.35 175.95 2rgu n GLY 400 N 0.50 1.47 2.66 -3.33 0.00 -1.26 -4.96 105.19 100.27 2rgu n GLY 400 Ca -0.15 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 2rgu n GLY 400 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2rgu n THR 401 N -1.37 5.53 -3.71 2.61 -1.04 -1.26 -4.82 114.28 110.22 2rgu n THR 401 Ca 0.00 -5.25 -0.02 0.00 -2.04 0.00 0.00 64.05 56.73 2rgu n THR 401 Cb 0.00 -1.89 -0.01 0.00 -1.82 0.00 0.00 70.33 66.61 2rgu n THR 401 CO 0.00 0.00 0.00 -1.66 -0.64 0.00 0.00 175.07 172.77 2rgu s TRP 402 N -2.54 -0.12 0.12 -1.42 1.48 -1.26 -5.00 118.94 110.21 2rgu s TRP 402 Ca 0.43 -0.13 0.07 0.00 -1.06 0.00 0.00 56.10 55.41 2rgu s TRP 402 Cb 0.16 0.61 -0.04 0.00 -1.16 0.00 0.00 33.47 33.04 2rgu s TRP 402 CO -0.07 -0.67 -0.17 -1.21 -4.06 0.00 0.00 176.95 170.77 2rgu s GLU 403 N -3.05 1.09 -0.15 3.25 2.02 -1.26 -4.55 118.70 116.04 2rgu s GLU 403 Ca 0.12 -1.24 -0.26 0.00 0.02 0.00 0.00 54.97 53.62 2rgu s GLU 403 Cb 0.00 -1.13 -0.01 0.00 0.10 0.00 0.00 34.13 33.09 2rgu s GLU 403 CO 0.00 0.24 0.86 0.08 0.02 0.00 0.00 175.26 176.46 2rgu s VAL 404 N -1.79 4.87 0.07 2.63 1.01 0.05 -2.62 120.40 124.62 2rgu s VAL 404 Ca 0.09 1.71 0.08 0.00 0.00 0.00 0.00 61.98 63.86 2rgu s VAL 404 Cb -0.07 -4.17 -0.22 0.00 0.00 0.00 0.00 36.38 31.93 2rgu s VAL 404 CO 0.04 0.03 1.10 0.40 0.00 0.00 0.00 175.10 176.67 2rgu h ILE 405 N 5.16 1.46 0.00 2.22 2.04 -0.78 -3.45 117.51 124.15 2rgu h ILE 405 Ca -0.30 -3.21 0.00 0.00 1.00 0.00 0.00 64.86 62.35 2rgu h ILE 405 Cb 1.14 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.94 2rgu h ILE 405 CO 0.84 0.84 0.00 0.61 0.00 0.00 0.00 178.15 180.43 2rgu n GLY 406 N 1.41 1.09 3.74 5.37 0.00 -1.06 -4.99 105.19 110.76 2rgu n GLY 406 Ca -0.05 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 2rgu n GLY 406 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rgu s ILE 407 N -2.00 5.21 -0.12 -0.61 1.01 -1.26 -0.82 121.20 122.61 2rgu s ILE 407 Ca 0.00 0.77 0.06 0.00 0.00 0.00 0.00 60.65 61.48 2rgu s ILE 407 Cb 0.00 -3.72 -0.12 0.00 0.01 0.00 0.00 42.46 38.63 2rgu s ILE 407 CO 0.00 0.39 -0.03 -0.62 0.00 0.00 0.00 174.94 174.68 2rgu n GLU 408 N 3.34 1.46 -3.85 2.79 -0.58 -0.37 -4.96 120.64 118.47 2rgu n GLU 408 Ca -0.10 0.03 -0.09 0.00 -0.42 0.00 0.00 57.16 56.57 2rgu n GLU 408 Cb 0.52 -1.28 -0.05 0.00 -0.57 0.00 0.00 31.44 30.05 2rgu n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rgu s ALA 409 N -2.27 -0.48 -0.29 0.62 0.00 -1.08 -4.86 121.76 113.40 2rgu s ALA 409 Ca -0.11 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 51.32 2rgu s ALA 409 Cb 0.04 0.85 0.17 0.00 0.00 0.00 0.00 23.12 24.18 2rgu s ALA 409 CO 0.40 -0.73 0.45 -1.17 0.00 0.00 0.00 175.76 174.71 2rgu s LEU 410 N -2.92 -0.97 0.00 0.00 1.98 -1.26 -1.07 118.68 114.43 2rgu s LEU 410 Ca 0.13 -0.13 0.05 0.00 -2.89 0.00 0.00 54.13 51.30 2rgu s LEU 410 Cb 0.01 1.35 0.09 0.00 0.66 0.00 0.00 46.19 48.31 2rgu s LEU 410 CO -0.01 -0.33 0.72 0.35 -1.89 0.00 0.00 176.35 175.18 2rgu n THR 411 N 5.37 0.00 0.25 3.68 -2.24 0.80 -4.90 114.28 117.25 2rgu n THR 411 Ca 0.01 -1.51 0.12 0.00 -2.27 0.00 0.00 64.05 60.40 2rgu n THR 411 Cb 0.50 -0.72 0.64 0.00 -2.10 0.00 0.00 70.33 68.65 2rgu n THR 411 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2rgu h SER 412 N -0.10 0.00 -0.00 3.42 4.64 -2.01 -3.24 113.55 116.26 2rgu h SER 412 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2rgu h SER 412 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2rgu h SER 412 CO 0.31 0.15 -0.09 0.47 -0.87 0.00 0.00 176.83 176.81 2rgu n ASP 413 N -3.49 0.47 -3.75 4.97 8.00 -1.26 -4.91 116.55 116.58 2rgu n ASP 413 Ca -0.01 -0.73 -0.13 0.00 0.71 0.00 0.00 54.79 54.62 2rgu n ASP 413 Cb 0.31 0.69 -0.10 0.00 -0.02 0.00 0.00 41.12 42.01 2rgu n ASP 413 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2rgu s TYR 414 N -0.94 -0.37 -0.20 1.24 2.02 -1.22 -2.00 117.35 115.88 2rgu s TYR 414 Ca 0.02 0.88 -0.04 0.00 -0.37 0.00 0.00 57.07 57.56 2rgu s TYR 414 Cb 0.02 0.14 -0.02 0.00 -0.40 0.00 0.00 41.96 41.70 2rgu s TYR 414 CO 0.09 -0.23 -0.04 -1.17 -1.57 0.00 0.00 175.55 172.62 2rgu s LEU 415 N -0.08 3.03 -0.09 -1.29 0.20 -1.00 -0.14 118.68 119.32 2rgu s LEU 415 Ca -0.02 -0.29 -0.05 0.00 0.69 0.00 0.00 54.13 54.45 2rgu s LEU 415 Cb -0.03 -1.76 -0.04 0.00 -0.43 0.00 0.00 46.19 43.94 2rgu s LEU 415 CO 0.01 0.05 0.12 -0.31 -0.29 0.00 0.00 176.35 175.93 2rgu s TYR 416 N 1.06 3.49 0.19 5.38 1.51 -0.24 -1.69 117.35 127.06 2rgu s TYR 416 Ca 0.01 0.42 -0.20 0.00 -1.01 0.00 0.00 57.07 56.29 2rgu s TYR 416 Cb -0.15 -1.88 0.04 0.00 -0.11 0.00 0.00 41.96 39.87 2rgu s TYR 416 CO 0.00 0.67 0.58 1.52 -1.11 0.00 0.00 175.55 177.21 2rgu s TYR 417 N -1.07 -0.32 -0.13 2.71 1.13 -0.82 -1.24 117.35 117.62 2rgu s TYR 417 Ca 0.17 0.01 -0.01 0.00 -1.41 0.00 0.00 57.07 55.84 2rgu s TYR 417 Cb -0.12 0.51 -0.02 0.00 -1.10 0.00 0.00 41.96 41.23 2rgu s TYR 417 CO 0.07 -0.93 -0.11 0.42 -2.51 0.00 0.00 175.55 172.49 2rgu s ILE 418 N -3.82 3.24 0.35 -3.49 1.01 -0.00 -0.25 121.20 118.24 2rgu s ILE 418 Ca 0.05 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.15 2rgu s ILE 418 Cb -0.02 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 2rgu s ILE 418 CO -0.06 0.52 0.17 -0.94 0.00 0.00 0.00 174.94 174.63 2rgu s SER 419 N 0.33 2.07 -0.28 3.58 1.04 -0.61 -0.04 113.70 119.79 2rgu s SER 419 Ca -0.09 -1.64 0.09 0.00 0.48 0.00 0.00 55.95 54.79 2rgu s SER 419 Cb -0.15 0.46 0.48 0.00 0.10 0.00 0.00 66.02 66.90 2rgu s SER 419 CO 0.05 -0.93 1.39 -0.46 0.98 0.00 0.00 173.24 174.26 2rgu n ASN 420 N -1.19 2.60 0.01 7.02 2.04 -1.08 -1.33 115.26 123.33 2rgu n ASN 420 Ca -0.01 -3.83 -0.13 0.00 -0.44 0.00 0.00 54.58 50.18 2rgu n ASN 420 Cb 0.64 -0.59 -0.09 0.00 -2.53 0.00 0.00 39.78 37.21 2rgu n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 2rgu h GLU 421 N 1.14 -0.01 -5.48 -3.83 4.81 -1.84 -3.32 114.58 106.05 2rgu h GLU 421 Ca 0.18 0.00 -0.80 0.00 -0.13 0.00 0.00 59.36 58.61 2rgu h GLU 421 Cb 1.43 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.83 2rgu h GLU 421 CO 0.34 0.33 0.64 0.98 -0.73 0.00 0.00 179.01 180.57 2rgu n TYR 422 N -4.93 1.60 -1.46 0.92 9.36 -1.26 -0.72 117.16 120.66 2rgu n TYR 422 Ca -0.08 1.04 -0.16 0.00 3.32 0.00 0.00 57.90 62.02 2rgu n TYR 422 Cb 0.19 -2.04 -0.07 0.00 -0.63 0.00 0.00 39.34 36.79 2rgu n TYR 422 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2rgu n LYS 423 N 3.70 -1.52 -3.36 2.98 5.02 -1.26 -2.53 118.16 121.19 2rgu n LYS 423 Ca 0.29 1.04 -0.24 0.00 -2.02 0.00 0.00 58.31 57.38 2rgu n LYS 423 Cb -0.05 -5.40 0.04 0.00 -0.02 0.00 0.00 35.03 29.59 2rgu n LYS 423 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2rgu n GLY 424 N -0.16 -0.52 3.23 0.72 0.00 0.10 -4.96 105.19 103.61 2rgu n GLY 424 Ca -0.16 0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2rgu n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2rgu s MET 425 N -6.06 2.49 0.42 1.61 -1.94 -1.05 -4.95 119.30 109.82 2rgu s MET 425 Ca 0.45 -1.57 0.12 0.00 -1.71 0.00 0.00 55.69 52.98 2rgu s MET 425 Cb -0.21 -3.76 0.96 0.00 2.01 0.00 0.00 34.83 33.83 2rgu s MET 425 CO 0.56 -1.01 1.99 -1.35 -0.01 0.00 0.00 175.02 175.20 2rgu h PRO 426 N 8.35 0.46 -0.06 2.03 0.11 -1.89 -1.48 132.00 139.52 2rgu h PRO 426 Ca -0.21 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2rgu h PRO 426 Cb 1.07 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2rgu h PRO 426 CO 0.76 0.30 0.00 0.41 -0.21 0.00 0.00 178.00 179.27 2rgu n GLY 427 N -1.50 -0.69 3.54 -0.55 0.00 -1.26 -4.81 105.19 99.92 2rgu n GLY 427 Ca 0.09 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 2rgu n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2rgu s GLY 428 N -1.13 1.73 -0.01 -0.02 0.00 -0.56 -1.86 107.32 105.47 2rgu s GLY 428 Ca 0.10 -1.45 0.01 0.00 0.00 0.00 0.00 44.72 43.37 2rgu s GLY 428 CO 0.08 -1.46 -0.01 0.50 0.00 0.00 0.00 173.10 172.20 2rgu s ARG 429 N -2.66 0.19 0.04 2.90 0.52 0.12 -4.13 118.95 115.93 2rgu s ARG 429 Ca 0.23 -0.00 -0.02 0.00 -0.52 0.00 0.00 55.73 55.42 2rgu s ARG 429 Cb -0.09 -0.27 -0.03 0.00 0.52 0.00 0.00 34.95 35.08 2rgu s ARG 429 CO 0.14 -0.03 0.00 -0.80 0.02 0.00 0.00 175.30 174.63 2rgu s ASN 430 N 0.39 0.34 -0.10 0.23 0.01 -0.44 -0.90 114.94 114.47 2rgu s ASN 430 Ca -0.04 -0.75 -0.17 0.00 -0.71 0.00 0.00 52.86 51.19 2rgu s ASN 430 Cb -0.06 0.18 -0.05 0.00 0.41 0.00 0.00 41.25 41.73 2rgu s ASN 430 CO -0.01 -0.50 0.46 -0.22 -1.51 0.00 0.00 177.10 175.32 2rgu s LEU 431 N -2.33 4.31 0.24 0.60 0.20 -1.26 -1.57 118.68 118.87 2rgu s LEU 431 Ca -0.02 0.84 0.06 0.00 0.69 0.00 0.00 54.13 55.69 2rgu s LEU 431 Cb 0.01 -2.67 -0.05 0.00 -0.43 0.00 0.00 46.19 43.05 2rgu s LEU 431 CO -0.06 0.06 -0.06 -0.31 -0.29 0.00 0.00 176.35 175.69 2rgu s TYR 432 N 0.30 1.73 -0.05 5.38 1.51 0.66 -0.60 117.35 126.28 2rgu s TYR 432 Ca 0.25 -0.74 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 2rgu s TYR 432 Cb -0.15 -0.95 0.02 0.00 -0.11 0.00 0.00 41.96 40.77 2rgu s TYR 432 CO 0.11 0.19 -0.03 0.21 -1.11 0.00 0.00 175.55 174.91 2rgu s LYS 433 N -3.75 0.78 -0.19 -0.62 2.20 -0.17 -1.93 119.74 116.05 2rgu s LYS 433 Ca 0.27 -0.06 -0.02 0.00 -0.36 0.00 0.00 55.97 55.80 2rgu s LYS 433 Cb 0.03 -0.88 -0.01 0.00 -1.51 0.00 0.00 37.83 35.47 2rgu s LYS 433 CO 0.09 -0.14 -0.09 0.42 -0.36 0.00 0.00 175.35 175.28 2rgu s ILE 434 N 1.17 3.15 -0.27 5.43 1.01 -0.68 -0.76 121.20 130.25 2rgu s ILE 434 Ca -0.07 -0.59 -0.29 0.00 0.00 0.00 0.00 60.65 59.70 2rgu s ILE 434 Cb -0.14 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 2rgu s ILE 434 CO -0.01 0.47 1.68 -1.58 0.00 0.00 0.00 174.94 175.49 2rgu s GLN 435 N 1.09 3.61 0.64 2.79 0.74 -0.62 -2.38 119.66 125.54 2rgu s GLN 435 Ca 0.01 1.54 0.37 0.00 0.05 0.00 0.00 55.36 57.33 2rgu s GLN 435 Cb -0.15 -4.10 2.08 0.00 1.10 0.00 0.00 33.01 31.95 2rgu s GLN 435 CO -0.02 -1.52 2.23 -0.07 -0.55 0.00 0.00 175.29 175.37 2rgu h LEU 436 N 12.45 0.00 -1.62 3.68 3.38 -1.75 -1.27 115.31 130.17 2rgu h LEU 436 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2rgu h LEU 436 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2rgu h LEU 436 CO 1.02 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 178.01 2rgu n SER 437 N -3.28 2.43 -2.78 -0.43 3.41 -1.26 -4.59 113.62 107.12 2rgu n SER 437 Ca -0.02 -1.84 -0.03 0.00 -0.26 0.00 0.00 58.87 56.72 2rgu n SER 437 Cb 0.17 -0.16 0.01 0.00 -0.26 0.00 0.00 64.21 63.98 2rgu n SER 437 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2rgu s ASP 438 N -1.56 -1.09 0.61 4.04 -1.08 -0.48 -5.04 116.67 112.07 2rgu s ASP 438 Ca 0.35 -1.20 0.26 0.00 -0.52 0.00 0.00 52.55 51.44 2rgu s ASP 438 Cb 0.20 1.42 1.02 0.00 -1.46 0.00 0.00 42.92 44.10 2rgu s ASP 438 CO 0.29 -0.05 1.43 1.88 0.52 0.00 0.00 175.17 179.24 2rgu h TYR 439 N 4.98 0.00 0.00 -5.34 0.05 -1.80 0.82 116.97 115.68 2rgu h TYR 439 Ca 0.04 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.78 2rgu h TYR 439 Cb 1.14 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.87 2rgu h TYR 439 CO 0.05 0.00 -0.18 1.79 -1.05 0.00 0.00 178.16 178.77 2rgu h THR 440 N 0.00 0.37 -2.48 -2.88 1.35 -1.92 -3.41 112.91 103.94 2rgu h THR 440 Ca 0.40 -1.19 -0.63 0.00 -0.55 0.00 0.00 66.41 64.45 2rgu h THR 440 Cb 2.47 1.90 -0.14 0.00 -1.73 0.00 0.00 68.15 70.65 2rgu h THR 440 CO -0.00 0.18 0.72 -0.54 -0.25 0.00 0.00 175.52 175.62 2rgu s LYS 441 N -3.41 3.23 -0.11 4.72 1.02 0.28 -4.99 119.74 120.48 2rgu s LYS 441 Ca 0.03 -0.92 0.03 0.00 0.02 0.00 0.00 55.97 55.13 2rgu s LYS 441 Cb 0.08 -4.40 0.00 0.00 -0.52 0.00 0.00 37.83 32.99 2rgu s LYS 441 CO 0.65 -1.88 -0.23 0.08 -0.92 0.00 0.00 175.35 173.05 2rgu s VAL 442 N 4.12 2.12 0.05 3.17 1.01 -1.26 -1.59 120.40 128.02 2rgu s VAL 442 Ca 0.27 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.32 2rgu s VAL 442 Cb -0.13 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 2rgu s VAL 442 CO 0.06 0.56 -0.13 -0.89 0.00 0.00 0.00 175.10 174.70 2rgu s THR 443 N 0.42 3.14 -0.27 3.92 2.01 0.07 -4.94 115.64 119.98 2rgu s THR 443 Ca -0.16 -1.11 -0.11 0.00 0.31 0.00 0.00 61.69 60.62 2rgu s THR 443 Cb -0.17 -2.37 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 2rgu s THR 443 CO 0.07 0.29 0.17 0.00 -0.69 0.00 0.00 174.62 174.47 2rgu n LEU 445 N 5.01 1.17 0.00 0.00 4.77 0.23 -4.46 117.00 123.72 2rgu n LEU 445 Ca -0.14 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 2rgu n LEU 445 Cb 0.52 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2rgu n LEU 445 CO 0.33 0.21 -0.07 -1.54 -1.33 0.00 0.00 177.39 174.99 2rgu n SER 446 N -0.40 0.71 -0.38 -1.43 3.41 -1.24 -4.82 113.62 109.47 2rgu n SER 446 Ca 0.14 -0.01 -0.01 0.00 -0.26 0.00 0.00 58.87 58.73 2rgu n SER 446 Cb 0.35 0.15 0.04 0.00 -0.26 0.00 0.00 64.21 64.49 2rgu n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rgu n GLU 448 N -5.44 2.00 -0.18 0.00 -0.58 -1.26 -4.24 120.64 110.95 2rgu n GLU 448 Ca 0.10 -1.46 -0.01 0.00 -0.42 0.00 0.00 57.16 55.37 2rgu n GLU 448 Cb 0.39 -1.47 0.08 0.00 -0.57 0.00 0.00 31.44 29.87 2rgu n GLU 448 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2rgu h LEU 449 N 3.52 -0.22 -5.00 -4.62 3.38 -1.67 -3.37 115.31 107.32 2rgu h LEU 449 Ca 0.00 0.13 -0.21 0.00 0.09 0.00 0.00 57.88 57.89 2rgu h LEU 449 Cb 0.75 0.23 -0.14 0.00 0.09 0.00 0.00 40.66 41.59 2rgu h LEU 449 CO 0.00 -0.08 -0.44 -3.20 0.09 0.00 0.00 178.44 174.81 2rgu n ASN 450 N -5.24 -2.63 -0.13 -0.43 2.85 -1.26 -5.08 115.26 103.33 2rgu n ASN 450 Ca 0.07 -3.28 -0.03 0.00 -0.11 0.00 0.00 54.58 51.23 2rgu n ASN 450 Cb 0.30 1.78 -0.03 0.00 1.24 0.00 0.00 39.78 43.07 2rgu n ASN 450 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2rgu n PRO 451 N 1.30 -0.14 0.27 1.20 -0.02 -1.26 -0.61 135.00 135.74 2rgu n PRO 451 Ca 0.07 0.51 0.18 0.00 -2.02 0.00 0.00 63.50 62.25 2rgu n PRO 451 Cb 0.66 -0.76 0.76 0.00 -0.02 0.00 0.00 33.50 34.14 2rgu n PRO 451 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2rgu h GLU 452 N 0.00 0.00 0.00 -0.52 3.07 -1.97 -3.31 114.58 111.84 2rgu h GLU 452 Ca 0.05 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.75 2rgu h GLU 452 Cb 0.13 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.01 2rgu h GLU 452 CO -0.29 0.00 -1.67 -2.13 -1.40 0.00 0.00 179.01 173.52 2rgu n ARG 453 N -2.97 2.02 -4.04 2.33 0.63 0.22 -4.67 116.66 110.18 2rgu n ARG 453 Ca 0.00 -0.02 -0.32 0.00 -0.92 0.00 0.00 57.85 56.60 2rgu n ARG 453 Cb 0.25 -1.26 -0.15 0.00 0.45 0.00 0.00 32.46 31.74 2rgu n ARG 453 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2rgu n GLN 455 N 4.52 0.10 -3.62 0.00 6.02 0.66 -4.54 117.38 120.53 2rgu n GLN 455 Ca -0.14 -0.36 -0.29 0.00 -0.01 0.00 0.00 57.00 56.20 2rgu n GLN 455 Cb 0.43 -0.64 -0.15 0.00 1.02 0.00 0.00 30.24 30.90 2rgu n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2rgu s TYR 456 N -0.10 0.74 0.24 1.08 6.14 -1.15 0.13 117.35 124.43 2rgu s TYR 456 Ca 0.00 -1.02 0.09 0.00 0.64 0.00 0.00 57.07 56.79 2rgu s TYR 456 Cb 0.00 -1.09 -0.04 0.00 0.42 0.00 0.00 41.96 41.24 2rgu s TYR 456 CO 0.00 -0.77 -0.03 0.71 0.64 0.00 0.00 175.55 176.10 2rgu s TYR 457 N 1.95 2.67 0.02 4.97 2.02 -0.08 -0.73 117.35 128.17 2rgu s TYR 457 Ca 0.07 -0.22 -0.02 0.00 -0.37 0.00 0.00 57.07 56.53 2rgu s TYR 457 Cb -0.16 -1.21 -0.02 0.00 -0.40 0.00 0.00 41.96 40.17 2rgu s TYR 457 CO -0.27 0.60 0.00 -1.54 -1.57 0.00 0.00 175.55 172.78 2rgu s SER 458 N -3.45 0.24 0.13 2.29 1.04 -0.69 -4.60 113.70 108.65 2rgu s SER 458 Ca 0.30 -0.53 0.05 0.00 0.48 0.00 0.00 55.95 56.24 2rgu s SER 458 Cb -0.07 0.14 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 2rgu s SER 458 CO 0.19 -0.37 -0.12 0.54 0.98 0.00 0.00 173.24 174.46 2rgu s VAL 459 N -1.90 1.18 -0.20 5.02 0.11 -1.26 -0.25 120.40 123.11 2rgu s VAL 459 Ca -0.12 -1.83 -0.03 0.00 -2.93 0.00 0.00 61.98 57.08 2rgu s VAL 459 Cb -0.06 -1.60 0.06 0.00 -1.53 0.00 0.00 36.38 33.25 2rgu s VAL 459 CO -0.02 -0.57 0.05 -0.55 -3.33 0.00 0.00 175.10 170.68 2rgu s SER 460 N -2.72 2.85 0.16 3.54 0.15 -0.56 -4.99 113.70 112.14 2rgu s SER 460 Ca 0.11 -0.82 -0.08 0.00 0.70 0.00 0.00 55.95 55.86 2rgu s SER 460 Cb -0.02 -0.53 -0.06 0.00 -1.71 0.00 0.00 66.02 63.70 2rgu s SER 460 CO 0.02 -0.32 0.44 -0.36 1.20 0.00 0.00 173.24 174.22 2rgu s PHE 461 N 1.91 3.49 0.62 3.44 0.08 -1.26 -0.27 117.98 125.99 2rgu s PHE 461 Ca 0.00 0.73 -0.13 0.00 0.12 0.00 0.00 56.93 57.65 2rgu s PHE 461 Cb -0.17 -2.13 -0.03 0.00 -0.57 0.00 0.00 43.02 40.12 2rgu s PHE 461 CO -0.09 0.40 1.04 -1.54 -0.10 0.00 0.00 175.22 174.92 2rgu s SER 462 N -2.24 5.96 0.76 1.36 1.04 0.00 -4.90 113.70 115.68 2rgu s SER 462 Ca 0.41 1.57 -0.15 0.00 0.48 0.00 0.00 55.95 58.27 2rgu s SER 462 Cb -0.12 -2.50 0.03 0.00 0.10 0.00 0.00 66.02 63.53 2rgu s SER 462 CO 0.22 -1.05 1.04 0.29 0.98 0.00 0.00 173.24 174.72 2rgu n LYS 463 N -2.54 0.40 0.00 4.02 5.02 -1.20 0.05 118.16 123.91 2rgu n LYS 463 Ca 0.07 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 2rgu n LYS 463 Cb 0.54 -2.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 2rgu n LYS 463 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2rgu n GLU 464 N -2.32 0.00 -2.64 1.97 -0.58 -1.26 -3.89 120.64 111.92 2rgu n GLU 464 Ca 0.13 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.75 2rgu n GLU 464 Cb 0.50 -2.64 0.02 0.00 -0.57 0.00 0.00 31.44 28.75 2rgu n GLU 464 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rgu n ALA 465 N 0.65 -0.51 0.19 0.62 0.00 0.11 -4.90 120.51 116.67 2rgu n ALA 465 Ca 0.00 0.15 0.05 0.00 0.00 0.00 0.00 53.44 53.65 2rgu n ALA 465 Cb 0.00 -2.28 0.33 0.00 0.00 0.00 0.00 19.45 17.50 2rgu n ALA 465 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2rgu h LYS 466 N -0.71 0.00 -5.04 0.00 1.79 -1.75 -3.42 116.57 107.43 2rgu h LYS 466 Ca -0.28 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 57.87 2rgu h LYS 466 Cb 1.20 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.70 2rgu h LYS 466 CO 0.30 0.38 -0.71 0.71 -1.08 0.00 0.00 179.45 179.05 2rgu s TYR 467 N -3.62 1.25 -0.14 -1.35 2.02 -1.26 -0.72 117.35 113.52 2rgu s TYR 467 Ca -0.00 -0.78 -0.11 0.00 -0.37 0.00 0.00 57.07 55.81 2rgu s TYR 467 Cb 0.11 -0.65 0.04 0.00 -0.40 0.00 0.00 41.96 41.07 2rgu s TYR 467 CO 0.69 0.06 0.37 1.52 -1.57 0.00 0.00 175.55 176.62 2rgu s TYR 468 N -3.35 -0.45 -0.24 2.71 1.13 0.64 -0.82 117.35 116.96 2rgu s TYR 468 Ca 0.17 1.06 -0.11 0.00 -1.41 0.00 0.00 57.07 56.77 2rgu s TYR 468 Cb 0.03 0.16 -0.05 0.00 -1.10 0.00 0.00 41.96 41.01 2rgu s TYR 468 CO 0.01 -0.24 0.20 -1.14 -2.51 0.00 0.00 175.55 171.87 2rgu s GLN 469 N 0.57 4.06 -0.09 -3.49 0.74 0.63 -0.55 119.66 121.53 2rgu s GLN 469 Ca -0.03 -0.21 -0.11 0.00 0.05 0.00 0.00 55.36 55.06 2rgu s GLN 469 Cb -0.05 -3.57 -0.05 0.00 1.10 0.00 0.00 33.01 30.45 2rgu s GLN 469 CO -0.03 -0.01 0.26 -0.51 -0.55 0.00 0.00 175.29 174.45 2rgu s LEU 470 N 1.26 4.38 -0.27 3.68 1.43 -0.55 -1.50 118.68 127.11 2rgu s LEU 470 Ca 0.09 0.64 0.01 0.00 -1.03 0.00 0.00 54.13 53.83 2rgu s LEU 470 Cb -0.14 -2.31 0.05 0.00 0.03 0.00 0.00 46.19 43.82 2rgu s LEU 470 CO 0.06 0.30 -0.06 -0.60 0.23 0.00 0.00 176.35 176.28 2rgu s ARG 471 N -0.66 2.40 -0.25 1.70 3.52 0.65 -2.56 118.95 123.75 2rgu s ARG 471 Ca 0.18 -1.26 -0.19 0.00 -0.13 0.00 0.00 55.73 54.32 2rgu s ARG 471 Cb -0.14 -3.01 -0.02 0.00 -1.56 0.00 0.00 34.95 30.22 2rgu s ARG 471 CO 0.07 -0.56 0.58 0.00 -0.81 0.00 0.00 175.30 174.57 2rgu n SER 473 N 5.51 0.97 0.00 0.00 7.64 0.09 -1.97 113.62 125.86 2rgu n SER 473 Ca -0.02 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 58.87 2rgu n SER 473 Cb 0.49 0.96 0.00 0.00 -1.01 0.00 0.00 64.21 64.66 2rgu n SER 473 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rgu n GLY 474 N 1.44 -2.31 0.01 0.23 0.00 -1.26 -0.77 105.19 102.53 2rgu n GLY 474 Ca 0.04 -1.28 0.05 0.00 0.00 0.00 0.00 46.02 44.84 2rgu n GLY 474 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rgu n PRO 475 N -0.60 0.01 -2.50 1.61 -0.04 -0.48 -0.24 135.00 132.76 2rgu n PRO 475 Ca 0.00 0.35 -0.25 0.00 -0.04 0.00 0.00 63.50 63.56 2rgu n PRO 475 Cb 0.00 -1.53 0.14 0.00 -0.04 0.00 0.00 33.50 32.07 2rgu n PRO 475 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2rgu s GLY 476 N -3.04 1.76 0.66 0.55 0.00 -0.22 -4.57 107.32 102.46 2rgu s GLY 476 Ca 0.04 -1.78 -0.17 0.00 0.00 0.00 0.00 44.72 42.81 2rgu s GLY 476 CO 0.19 -1.12 1.12 1.04 0.00 0.00 0.00 173.10 174.32 2rgu n LEU 477 N -3.06 4.72 -4.70 0.66 4.77 -1.26 -4.64 117.00 113.48 2rgu n LEU 477 Ca 0.17 0.77 -0.43 0.00 -0.03 0.00 0.00 56.01 56.49 2rgu n LEU 477 Cb 0.61 -1.47 -0.02 0.00 -2.33 0.00 0.00 43.42 40.21 2rgu n LEU 477 CO 0.42 -1.53 1.03 -2.65 -1.33 0.00 0.00 177.39 173.33 2rgu n PRO 478 N -1.71 2.24 -4.29 3.23 -0.02 -1.26 -4.72 135.00 128.47 2rgu n PRO 478 Ca 0.15 0.79 -0.23 0.00 -2.02 0.00 0.00 63.50 62.19 2rgu n PRO 478 Cb 0.48 -2.45 -0.17 0.00 -0.02 0.00 0.00 33.50 31.34 2rgu n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2rgu s LEU 479 N -0.51 1.41 -0.14 2.45 0.20 -0.83 -4.21 118.68 117.05 2rgu s LEU 479 Ca 0.62 -0.22 0.01 0.00 0.69 0.00 0.00 54.13 55.23 2rgu s LEU 479 Cb -0.58 -0.65 -0.01 0.00 -0.43 0.00 0.00 46.19 44.52 2rgu s LEU 479 CO 0.54 -0.03 -0.16 -0.31 -0.29 0.00 0.00 176.35 176.10 2rgu s TYR 480 N 0.95 2.76 0.07 5.38 1.51 0.58 -1.25 117.35 127.34 2rgu s TYR 480 Ca -0.10 -0.91 0.03 0.00 -1.01 0.00 0.00 57.07 55.07 2rgu s TYR 480 Cb -0.15 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.82 2rgu s TYR 480 CO 0.00 -0.38 -0.08 0.95 -1.11 0.00 0.00 175.55 174.93 2rgu s THR 481 N 0.60 0.72 -0.12 -0.71 -4.23 -1.06 0.73 115.64 111.57 2rgu s THR 481 Ca -0.09 -1.49 -0.03 0.00 -1.18 0.00 0.00 61.69 58.89 2rgu s THR 481 Cb -0.16 -1.15 -0.03 0.00 1.34 0.00 0.00 72.50 72.50 2rgu s THR 481 CO 0.03 -0.57 -0.00 -0.22 -0.54 0.00 0.00 174.62 173.32 2rgu s LEU 482 N -2.25 3.51 0.05 4.79 0.20 -0.20 -1.49 118.68 123.29 2rgu s LEU 482 Ca 0.01 0.06 0.03 0.00 0.69 0.00 0.00 54.13 54.92 2rgu s LEU 482 Cb -0.04 -1.82 -0.02 0.00 -0.43 0.00 0.00 46.19 43.87 2rgu s LEU 482 CO -0.01 0.29 -0.10 -1.00 -0.29 0.00 0.00 176.35 175.24 2rgu s HIS 483 N -0.36 0.88 -0.16 5.38 3.76 0.29 -1.30 115.29 123.77 2rgu s HIS 483 Ca 0.07 -0.45 -0.07 0.00 -0.15 0.00 0.00 55.06 54.45 2rgu s HIS 483 Cb -0.12 -0.51 -0.04 0.00 1.11 0.00 0.00 32.58 33.01 2rgu s HIS 483 CO 0.02 -0.02 0.09 -1.54 -0.85 0.00 0.00 174.74 172.43 2rgu s SER 484 N -1.52 5.88 0.07 1.40 1.04 -0.83 -0.26 113.70 119.47 2rgu s SER 484 Ca -0.06 0.20 0.27 0.00 0.48 0.00 0.00 55.95 56.84 2rgu s SER 484 Cb -0.09 -1.96 0.88 0.00 0.10 0.00 0.00 66.02 64.94 2rgu s SER 484 CO 0.01 0.25 1.71 -1.54 0.98 0.00 0.00 173.24 174.65 2rgu n SER 485 N 3.05 0.39 -0.19 7.02 3.41 0.10 -1.35 113.62 126.05 2rgu n SER 485 Ca -0.17 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2rgu n SER 485 Cb 0.53 -0.35 0.10 0.00 -0.26 0.00 0.00 64.21 64.23 2rgu n SER 485 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2rgu h VAL 486 N 0.00 0.60 0.00 -3.33 2.07 -1.91 -3.22 116.25 110.45 2rgu h VAL 486 Ca 0.00 -0.07 -0.12 0.00 0.82 0.00 0.00 66.70 67.34 2rgu h VAL 486 Cb 0.59 0.39 -0.26 0.00 -1.52 0.00 0.00 31.29 30.50 2rgu h VAL 486 CO 0.00 0.04 -0.85 0.59 0.02 0.00 0.00 177.57 177.36 2rgu n ASN 487 N -5.18 0.69 -4.20 0.57 4.13 -1.26 -5.01 115.26 105.00 2rgu n ASN 487 Ca 0.08 -2.03 -0.32 0.00 1.68 0.00 0.00 54.58 53.99 2rgu n ASN 487 Cb 0.32 -0.27 -0.05 0.00 -1.54 0.00 0.00 39.78 38.23 2rgu n ASN 487 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2rgu n ASP 488 N 0.31 -0.90 -4.74 6.41 9.92 -0.46 -4.91 116.55 122.17 2rgu n ASP 488 Ca 0.04 -1.12 -0.40 0.00 -0.53 0.00 0.00 54.79 52.79 2rgu n ASP 488 Cb 1.00 -2.38 -0.05 0.00 -0.64 0.00 0.00 41.12 39.04 2rgu n ASP 488 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2rgu s LYS 489 N -6.97 4.43 -0.50 -1.24 2.20 -0.87 -4.88 119.74 111.90 2rgu s LYS 489 Ca 0.30 0.93 -0.29 0.00 -0.36 0.00 0.00 55.97 56.54 2rgu s LYS 489 Cb -0.17 -3.38 0.03 0.00 -1.51 0.00 0.00 37.83 32.80 2rgu s LYS 489 CO 0.95 0.24 1.21 0.20 -0.36 0.00 0.00 175.35 177.59 2rgu s GLY 490 N 0.15 1.19 -0.03 5.54 0.00 -1.26 -1.97 107.32 110.95 2rgu s GLY 490 Ca 0.36 -0.55 -0.22 0.00 0.00 0.00 0.00 44.72 44.31 2rgu s GLY 490 CO 0.20 2.51 1.01 1.41 0.00 0.00 0.00 173.10 178.23 2rgu h LEU 491 N 11.68 -0.25 -7.25 0.66 3.38 -1.55 -3.49 115.31 118.48 2rgu h LEU 491 Ca -0.24 -0.28 0.17 0.00 0.09 0.00 0.00 57.88 57.62 2rgu h LEU 491 Cb 1.07 0.06 -0.13 0.00 0.09 0.00 0.00 40.66 41.75 2rgu h LEU 491 CO 1.14 0.23 0.56 0.00 0.09 0.00 0.00 178.44 180.46 2rgu s ARG 492 N -3.90 0.85 -0.07 1.13 1.70 -1.18 -5.01 118.95 112.47 2rgu s ARG 492 Ca -0.13 -0.40 -0.19 0.00 -0.47 0.00 0.00 55.73 54.55 2rgu s ARG 492 Cb 0.01 0.34 -0.05 0.00 -0.57 0.00 0.00 34.95 34.68 2rgu s ARG 492 CO 0.50 -0.38 0.51 0.08 -1.08 0.00 0.00 175.30 174.93 2rgu s VAL 493 N -3.02 5.08 -0.17 4.99 1.01 -1.26 -1.04 120.40 125.98 2rgu s VAL 493 Ca 0.09 1.04 -0.02 0.00 0.00 0.00 0.00 61.98 63.08 2rgu s VAL 493 Cb -0.00 -3.84 -0.23 0.00 0.00 0.00 0.00 36.38 32.31 2rgu s VAL 493 CO -0.04 0.39 0.15 0.18 0.00 0.00 0.00 175.10 175.77 2rgu n LEU 494 N 3.14 2.64 -3.63 3.92 4.77 0.22 -4.94 117.00 123.12 2rgu n LEU 494 Ca -0.08 0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 55.94 2rgu n LEU 494 Cb 0.52 -0.96 -0.06 0.00 -2.33 0.00 0.00 43.42 40.58 2rgu n LEU 494 CO 0.43 0.86 0.46 -0.70 -1.33 0.00 0.00 177.39 177.10 2rgu s GLU 495 N -2.54 0.58 0.00 3.23 2.56 -1.07 -4.98 118.70 116.47 2rgu s GLU 495 Ca -0.26 1.05 0.00 0.00 0.00 0.00 0.00 54.97 55.76 2rgu s GLU 495 Cb 0.08 0.19 0.00 0.00 2.00 0.00 0.00 34.13 36.40 2rgu s GLU 495 CO 0.71 -0.13 0.55 -0.40 -0.56 0.00 0.00 175.26 175.43 2rgu n ASP 496 N 4.24 1.07 -3.63 -1.70 5.75 -1.26 -0.31 116.55 120.71 2rgu n ASP 496 Ca -0.18 -1.22 -0.24 0.00 -0.01 0.00 0.00 54.79 53.13 2rgu n ASP 496 Cb 0.57 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.74 2rgu n ASP 496 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2rgu n ASN 497 N -0.11 -5.87 -0.27 -1.12 3.02 -1.26 -4.82 115.26 104.83 2rgu n ASN 497 Ca 0.00 -0.58 -0.03 0.00 -0.03 0.00 0.00 54.58 53.94 2rgu n ASN 497 Cb 0.10 -4.90 0.08 0.00 -0.61 0.00 0.00 39.78 34.46 2rgu n ASN 497 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2rgu h SER 498 N -2.58 0.81 0.42 6.41 0.02 -1.95 0.17 113.55 116.85 2rgu h SER 498 Ca -0.57 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.35 2rgu h SER 498 Cb 1.37 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2rgu h SER 498 CO 0.57 0.57 -0.20 0.00 -1.14 0.00 0.00 176.83 176.63 2rgu h ALA 499 N 1.31 -1.14 -0.76 3.77 0.00 -1.99 -0.45 119.26 119.99 2rgu h ALA 499 Ca 0.29 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.26 2rgu h ALA 499 Cb -0.03 0.22 -0.13 0.00 0.00 0.00 0.00 17.79 17.86 2rgu h ALA 499 CO -0.10 -1.10 0.06 1.25 0.00 0.00 0.00 179.25 179.37 2rgu h LEU 500 N -0.57 -0.24 -0.35 0.00 7.12 -1.81 -1.21 115.31 118.25 2rgu h LEU 500 Ca -0.06 0.18 0.07 0.00 0.13 0.00 0.00 57.88 58.21 2rgu h LEU 500 Cb 0.43 0.30 -0.08 0.00 -0.53 0.00 0.00 40.66 40.79 2rgu h LEU 500 CO 0.09 -0.15 -0.15 -0.78 -0.13 0.00 0.00 178.44 177.33 2rgu h ASP 501 N 0.14 -0.52 0.23 1.25 3.58 -0.47 -1.25 116.42 119.38 2rgu h ASP 501 Ca 0.42 0.13 -0.04 0.00 0.42 0.00 0.00 57.03 57.96 2rgu h ASP 501 Cb 0.75 0.29 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 2rgu h ASP 501 CO -0.63 -0.19 -0.19 0.07 -2.88 0.00 0.00 179.24 175.43 2rgu h LYS 502 N -0.09 0.00 -0.19 0.28 5.09 0.12 -2.80 116.57 118.98 2rgu h LYS 502 Ca 0.18 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.81 2rgu h LYS 502 Cb 0.36 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.69 2rgu h LYS 502 CO -0.41 0.19 -0.30 0.52 -2.09 0.00 0.00 179.45 177.36 2rgu h MET 503 N 0.00 0.53 0.00 0.07 2.86 -0.69 -3.28 114.93 114.42 2rgu h MET 503 Ca -0.00 -0.32 -0.05 0.00 -2.06 0.00 0.00 59.70 57.26 2rgu h MET 503 Cb 0.35 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 2rgu h MET 503 CO 0.02 0.92 -0.25 -0.07 1.06 0.00 0.00 176.91 178.60 2rgu h LEU 504 N 0.19 0.00 -1.80 1.22 3.38 -1.04 -2.46 115.31 114.80 2rgu h LEU 504 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2rgu h LEU 504 Cb 0.88 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2rgu h LEU 504 CO 0.07 0.25 -0.02 1.56 0.09 0.00 0.00 178.44 180.39 2rgu h GLN 505 N 0.00 0.09 0.00 1.13 4.20 -1.57 -1.07 115.11 117.88 2rgu h GLN 505 Ca -0.00 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 2rgu h GLN 505 Cb 0.53 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 2rgu h GLN 505 CO 0.03 0.13 -0.29 -0.97 -0.67 0.00 0.00 178.83 177.05 2rgu h ASN 506 N 0.09 0.00 -2.91 1.46 -0.73 -1.57 -3.45 115.58 108.47 2rgu h ASN 506 Ca 0.02 0.00 -0.62 0.00 1.87 0.00 0.00 56.30 57.57 2rgu h ASN 506 Cb 0.11 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.66 2rgu h ASN 506 CO 0.00 0.29 -0.49 -0.69 -0.37 0.00 0.00 177.43 176.18 2rgu s VAL 507 N -3.26 5.38 -1.03 2.57 1.01 -0.41 -4.60 120.40 120.07 2rgu s VAL 507 Ca 0.03 -0.35 -0.20 0.00 0.00 0.00 0.00 61.98 61.46 2rgu s VAL 507 Cb 0.08 -3.62 0.10 0.00 0.00 0.00 0.00 36.38 32.93 2rgu s VAL 507 CO 0.69 0.15 1.34 -1.58 0.00 0.00 0.00 175.10 175.70 2rgu s GLN 508 N -2.47 3.68 0.51 2.72 0.74 -0.43 -4.92 119.66 119.48 2rgu s GLN 508 Ca 0.35 -1.61 -0.09 0.00 0.05 0.00 0.00 55.36 54.06 2rgu s GLN 508 Cb -0.13 -5.16 -0.05 0.00 1.10 0.00 0.00 33.01 28.77 2rgu s GLN 508 CO 0.27 -1.99 0.87 -1.64 -0.55 0.00 0.00 175.29 172.25 2rgu s MET 509 N 3.63 3.63 0.52 1.67 -1.94 -1.26 -4.33 119.30 121.22 2rgu s MET 509 Ca 0.41 0.46 -0.05 0.00 -1.71 0.00 0.00 55.69 54.80 2rgu s MET 509 Cb -0.02 -2.28 -0.01 0.00 2.01 0.00 0.00 34.83 34.53 2rgu s MET 509 CO -0.07 -0.29 0.82 -1.25 -0.01 0.00 0.00 175.02 174.22 2rgu s PRO 510 N -4.66 3.24 0.28 2.03 0.04 -1.26 -4.27 135.00 130.40 2rgu s PRO 510 Ca 0.51 0.04 0.09 0.00 0.04 0.00 0.00 61.00 61.69 2rgu s PRO 510 Cb -0.10 -2.35 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 2rgu s PRO 510 CO 0.44 -0.41 0.00 -1.54 0.04 0.00 0.00 177.00 175.54 2rgu s SER 511 N -4.20 4.51 -0.07 6.66 1.04 -0.54 -4.92 113.70 116.18 2rgu s SER 511 Ca 0.50 -0.69 0.03 0.00 0.48 0.00 0.00 55.95 56.28 2rgu s SER 511 Cb -0.10 -0.80 -0.02 0.00 0.10 0.00 0.00 66.02 65.20 2rgu s SER 511 CO 0.44 -0.04 -0.17 -0.75 0.98 0.00 0.00 173.24 173.71 2rgu s LYS 512 N -3.69 2.73 -0.18 4.02 2.20 -1.26 -0.08 119.74 123.48 2rgu s LYS 512 Ca 0.32 -0.75 -0.01 0.00 -0.36 0.00 0.00 55.97 55.17 2rgu s LYS 512 Cb -0.06 -2.38 -0.00 0.00 -1.51 0.00 0.00 37.83 33.88 2rgu s LYS 512 CO 0.20 0.46 -0.11 0.21 -0.36 0.00 0.00 175.35 175.75 2rgu s LYS 513 N -0.31 3.28 -0.50 4.03 2.20 -0.63 -4.96 119.74 122.85 2rgu s LYS 513 Ca 0.02 -0.70 0.01 0.00 -0.36 0.00 0.00 55.97 54.95 2rgu s LYS 513 Cb -0.13 -2.78 0.13 0.00 -1.51 0.00 0.00 37.83 33.54 2rgu s LYS 513 CO 0.03 -0.07 0.26 -1.17 -0.36 0.00 0.00 175.35 174.04 2rgu s LEU 514 N 1.08 4.77 0.00 5.43 0.20 -1.26 -1.37 118.68 127.53 2rgu s LEU 514 Ca 0.00 -2.69 0.00 0.00 0.69 0.00 0.00 54.13 52.13 2rgu s LEU 514 Cb -0.15 -1.72 0.00 0.00 -0.43 0.00 0.00 46.19 43.89 2rgu s LEU 514 CO -0.03 -0.34 0.00 -0.67 -0.29 0.00 0.00 176.35 175.03 2rgu n ASP 515 N 3.61 0.00 -3.54 3.68 -0.08 -1.11 -4.99 116.55 114.12 2rgu n ASP 515 Ca 0.05 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.25 2rgu n ASP 515 Cb 0.37 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.80 2rgu n ASP 515 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 2rgu s PHE 516 N 2.30 -0.30 0.28 -0.67 -0.12 -1.26 -2.65 117.98 115.57 2rgu s PHE 516 Ca 0.00 0.27 0.07 0.00 -0.05 0.00 0.00 56.93 57.22 2rgu s PHE 516 Cb 0.00 0.51 -0.06 0.00 -0.63 0.00 0.00 43.02 42.85 2rgu s PHE 516 CO 0.00 -0.41 -0.07 0.96 -0.05 0.00 0.00 175.22 175.64 2rgu s ILE 517 N -2.49 1.72 -0.17 -4.49 -4.36 -0.07 -4.95 121.20 106.39 2rgu s ILE 517 Ca 0.05 -2.14 0.01 0.00 -0.26 0.00 0.00 60.65 58.30 2rgu s ILE 517 Cb -0.01 -2.43 0.01 0.00 1.25 0.00 0.00 42.46 41.28 2rgu s ILE 517 CO -0.06 -0.32 -0.19 -0.63 0.24 0.00 0.00 174.94 173.99 2rgu s ILE 518 N -2.97 2.27 0.00 8.37 1.01 -1.26 -1.42 121.20 127.20 2rgu s ILE 518 Ca 0.29 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 60.05 2rgu s ILE 518 Cb 0.03 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.55 2rgu s ILE 518 CO 0.12 0.53 0.00 0.18 0.00 0.00 0.00 174.94 175.77 2rgu n LEU 519 N 4.37 0.57 0.00 2.97 4.77 -1.17 -4.96 117.00 123.55 2rgu n LEU 519 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 2rgu n LEU 519 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2rgu n LEU 519 CO 0.27 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 176.92 2rgu n ASN 520 N -0.33 0.00 0.00 -1.43 3.02 -1.26 -4.86 115.26 110.40 2rgu n ASN 520 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2rgu n ASN 520 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2rgu n ASN 520 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2rgu n GLU 521 N 0.00 1.13 -3.91 3.52 -0.58 -1.26 -5.04 120.64 114.49 2rgu n GLU 521 Ca 0.00 -1.02 -0.34 0.00 -0.42 0.00 0.00 57.16 55.38 2rgu n GLU 521 Cb 0.00 -0.99 -0.05 0.00 -0.57 0.00 0.00 31.44 29.83 2rgu n GLU 521 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2rgu s THR 522 N -0.53 5.40 -0.19 2.62 2.01 -1.26 -5.09 115.64 118.61 2rgu s THR 522 Ca 0.00 -0.09 -0.19 0.00 0.31 0.00 0.00 61.69 61.72 2rgu s THR 522 Cb 0.00 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 2rgu s THR 522 CO 0.00 0.39 0.52 -0.75 -0.69 0.00 0.00 174.62 174.10 2rgu s LYS 523 N -1.72 4.21 -0.11 4.92 2.20 -1.26 -3.02 119.74 124.95 2rgu s LYS 523 Ca 0.24 0.44 0.02 0.00 -0.36 0.00 0.00 55.97 56.31 2rgu s LYS 523 Cb -0.12 -3.55 0.01 0.00 -1.51 0.00 0.00 37.83 32.66 2rgu s LYS 523 CO 0.15 -0.12 -0.16 -0.06 -0.36 0.00 0.00 175.35 174.80 2rgu s PHE 524 N 1.54 2.07 0.48 4.03 0.08 -0.50 -4.99 117.98 120.68 2rgu s PHE 524 Ca 0.25 -0.99 -0.10 0.00 0.12 0.00 0.00 56.93 56.21 2rgu s PHE 524 Cb -0.15 -1.48 -0.05 0.00 -0.57 0.00 0.00 43.02 40.76 2rgu s PHE 524 CO 0.10 -0.50 0.86 -1.58 -0.10 0.00 0.00 175.22 174.00 2rgu s TRP 525 N 0.97 3.52 0.20 0.36 0.52 -1.26 -0.90 118.94 122.36 2rgu s TRP 525 Ca -0.07 1.10 -0.14 0.00 0.02 0.00 0.00 56.10 57.01 2rgu s TRP 525 Cb -0.15 -2.51 0.01 0.00 -1.15 0.00 0.00 33.47 29.67 2rgu s TRP 525 CO -0.02 -0.30 0.46 1.52 0.02 0.00 0.00 176.95 178.64 2rgu s TYR 526 N -2.65 0.12 0.22 -1.98 1.13 -1.08 -1.52 117.35 111.58 2rgu s TYR 526 Ca 0.52 -0.48 0.02 0.00 -1.41 0.00 0.00 57.07 55.72 2rgu s TYR 526 Cb -0.10 0.25 -0.05 0.00 -1.10 0.00 0.00 41.96 40.96 2rgu s TYR 526 CO 0.39 -0.90 0.03 1.14 -2.51 0.00 0.00 175.55 173.69 2rgu s GLN 527 N -3.93 1.29 -0.20 -3.49 -2.07 -0.85 -2.73 119.66 107.67 2rgu s GLN 527 Ca 0.14 -1.66 -0.05 0.00 -1.82 0.00 0.00 55.36 51.97 2rgu s GLN 527 Cb -0.00 -0.42 0.10 0.00 -1.09 0.00 0.00 33.01 31.60 2rgu s GLN 527 CO 0.01 -0.16 0.37 -1.64 -1.32 0.00 0.00 175.29 172.55 2rgu s MET 528 N -3.92 0.29 -0.62 9.60 -1.94 -0.47 -2.64 119.30 119.60 2rgu s MET 528 Ca 0.30 0.80 -0.24 0.00 -1.71 0.00 0.00 55.69 54.84 2rgu s MET 528 Cb 0.06 -0.04 0.05 0.00 2.01 0.00 0.00 34.83 36.92 2rgu s MET 528 CO 0.09 -0.39 0.98 0.42 -0.01 0.00 0.00 175.02 176.10 2rgu s ILE 529 N 2.55 4.30 0.13 2.53 1.01 0.23 -1.61 121.20 130.35 2rgu s ILE 529 Ca 0.04 0.01 -0.15 0.00 0.00 0.00 0.00 60.65 60.55 2rgu s ILE 529 Cb -0.13 -4.64 -0.07 0.00 0.01 0.00 0.00 42.46 37.63 2rgu s ILE 529 CO -0.13 -1.33 0.54 -0.76 0.00 0.00 0.00 174.94 173.26 2rgu s LEU 530 N 4.16 4.36 0.94 2.97 1.43 0.89 -2.64 118.68 130.78 2rgu s LEU 530 Ca 0.27 1.08 -0.11 0.00 -1.03 0.00 0.00 54.13 54.35 2rgu s LEU 530 Cb -0.14 -3.20 0.16 0.00 0.03 0.00 0.00 46.19 43.04 2rgu s LEU 530 CO 0.15 0.13 1.12 -2.84 0.23 0.00 0.00 176.35 175.14 2rgu s PRO 531 N -1.85 0.82 0.45 1.29 0.02 -1.26 -1.46 135.00 133.01 2rgu s PRO 531 Ca 0.36 1.40 -0.24 0.00 0.02 0.00 0.00 61.00 62.55 2rgu s PRO 531 Cb -0.15 -1.72 -0.07 0.00 0.02 0.00 0.00 34.50 32.58 2rgu s PRO 531 CO 0.19 -2.72 1.23 -1.25 -0.33 0.00 0.00 177.00 174.12 2rgu s PRO 532 N -4.65 3.73 -1.34 5.54 0.04 -1.26 -2.83 135.00 134.23 2rgu s PRO 532 Ca 0.66 1.96 -0.04 0.00 0.04 0.00 0.00 61.00 63.62 2rgu s PRO 532 Cb -0.23 -2.50 0.02 0.00 0.04 0.00 0.00 34.50 31.84 2rgu s PRO 532 CO 0.59 -0.62 0.87 0.72 0.04 0.00 0.00 177.00 178.59 2rgu n HIS 533 N -0.37 -2.15 -1.67 0.56 8.25 -1.26 -4.88 115.22 113.70 2rgu n HIS 533 Ca 0.07 0.89 -0.41 0.00 -0.26 0.00 0.00 57.72 58.01 2rgu n HIS 533 Cb 0.46 -4.52 0.02 0.00 1.12 0.00 0.00 29.99 27.07 2rgu n HIS 533 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2rgu n PHE 534 N -4.41 1.73 -3.88 4.41 7.35 -1.13 -4.99 117.46 116.54 2rgu n PHE 534 Ca -0.19 0.51 -0.29 0.00 -0.76 0.00 0.00 57.45 56.71 2rgu n PHE 534 Cb 0.63 -2.31 -0.16 0.00 0.35 0.00 0.00 39.48 38.00 2rgu n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2rgu s ASP 535 N -0.70 3.51 0.00 -2.13 -1.08 -1.26 -4.99 116.67 110.02 2rgu s ASP 535 Ca 0.64 -1.04 0.03 0.00 -0.52 0.00 0.00 52.55 51.66 2rgu s ASP 535 Cb -0.51 -1.00 0.13 0.00 -1.46 0.00 0.00 42.92 40.09 2rgu s ASP 535 CO 0.56 -0.25 1.05 2.29 0.52 0.00 0.00 175.17 179.34 2rgu n LYS 536 N 4.79 0.01 0.00 4.34 2.85 -1.26 -1.31 118.16 127.59 2rgu n LYS 536 Ca -0.11 0.41 0.07 0.00 -1.05 0.00 0.00 58.31 57.63 2rgu n LYS 536 Cb 0.45 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.25 2rgu n LYS 536 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2rgu n SER 537 N -1.45 0.77 -4.92 -5.58 3.41 -1.26 -4.30 113.62 100.30 2rgu n SER 537 Ca 0.01 -0.89 -0.27 0.00 -0.26 0.00 0.00 58.87 57.46 2rgu n SER 537 Cb 0.03 0.98 -0.02 0.00 -0.26 0.00 0.00 64.21 64.94 2rgu n SER 537 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2rgu s LYS 538 N -2.44 3.57 -0.28 4.33 -0.14 -0.42 -4.97 119.74 119.39 2rgu s LYS 538 Ca 0.06 -0.05 -0.04 0.00 -1.36 0.00 0.00 55.97 54.58 2rgu s LYS 538 Cb 0.12 -2.59 0.02 0.00 -1.68 0.00 0.00 37.83 33.71 2rgu s LYS 538 CO 0.63 0.10 0.01 0.15 -0.76 0.00 0.00 175.35 175.47 2rgu s LYS 539 N -4.07 2.85 0.07 1.68 1.02 -1.26 -4.33 119.74 115.70 2rgu s LYS 539 Ca 0.44 -0.99 0.03 0.00 0.02 0.00 0.00 55.97 55.46 2rgu s LYS 539 Cb -0.10 -3.17 -0.04 0.00 -0.52 0.00 0.00 37.83 34.00 2rgu s LYS 539 CO 0.35 -0.46 0.04 0.71 -0.92 0.00 0.00 175.35 175.07 2rgu s TYR 540 N 1.38 3.12 0.81 3.18 1.51 -0.38 -4.68 117.35 122.28 2rgu s TYR 540 Ca 0.00 0.05 -0.11 0.00 -1.01 0.00 0.00 57.07 56.00 2rgu s TYR 540 Cb -0.17 -1.61 0.07 0.00 -0.11 0.00 0.00 41.96 40.14 2rgu s TYR 540 CO -0.01 0.50 1.09 -1.25 -1.11 0.00 0.00 175.55 174.77 2rgu s PRO 541 N -2.22 2.01 -0.01 -1.71 0.04 -1.26 -1.90 135.00 129.95 2rgu s PRO 541 Ca 0.27 0.80 0.02 0.00 0.04 0.00 0.00 61.00 62.12 2rgu s PRO 541 Cb -0.12 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.52 2rgu s PRO 541 CO 0.19 -1.71 -0.06 -1.17 0.04 0.00 0.00 177.00 174.29 2rgu s LEU 542 N -5.88 1.96 -0.12 -3.56 0.20 -0.21 -1.97 118.68 109.10 2rgu s LEU 542 Ca 0.61 -0.11 0.00 0.00 0.69 0.00 0.00 54.13 55.33 2rgu s LEU 542 Cb -0.16 -0.31 -0.02 0.00 -0.43 0.00 0.00 46.19 45.28 2rgu s LEU 542 CO 0.55 0.06 -0.13 -0.22 -0.29 0.00 0.00 176.35 176.32 2rgu s LEU 543 N -0.06 2.73 -0.56 -0.68 0.20 0.72 0.48 118.68 121.51 2rgu s LEU 543 Ca 0.01 -0.30 -0.15 0.00 0.69 0.00 0.00 54.13 54.38 2rgu s LEU 543 Cb -0.03 -1.60 0.14 0.00 -0.43 0.00 0.00 46.19 44.26 2rgu s LEU 543 CO -0.00 0.20 0.51 -0.22 -0.29 0.00 0.00 176.35 176.55 2rgu s LEU 544 N 0.16 6.20 -0.10 -0.68 0.20 0.11 -0.74 118.68 123.82 2rgu s LEU 544 Ca -0.07 -1.89 -0.30 0.00 0.69 0.00 0.00 54.13 52.56 2rgu s LEU 544 Cb -0.15 -2.19 -0.04 0.00 -0.43 0.00 0.00 46.19 43.38 2rgu s LEU 544 CO 0.05 -0.81 1.46 -0.62 -0.29 0.00 0.00 176.35 176.13 2rgu s ASP 545 N 3.36 6.81 0.05 3.68 -1.08 -0.14 -1.83 116.67 127.52 2rgu s ASP 545 Ca 0.05 1.98 0.08 0.00 -0.52 0.00 0.00 52.55 54.14 2rgu s ASP 545 Cb -0.28 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.62 2rgu s ASP 545 CO 0.01 -0.84 -0.22 -0.69 0.52 0.00 0.00 175.17 173.96 2rgu s VAL 546 N 3.68 1.80 0.00 1.11 1.01 0.11 -4.31 120.40 123.79 2rgu s VAL 546 Ca 0.64 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2rgu s VAL 546 Cb -0.28 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.54 2rgu s VAL 546 CO 0.23 0.23 0.00 0.00 0.00 0.00 0.00 175.10 175.55 2rgu n TYR 547 N 1.77 0.00 -0.92 5.22 -0.00 -1.26 -4.16 117.16 117.81 2rgu n TYR 547 Ca -0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 57.72 2rgu n TYR 547 Cb 0.53 0.34 -0.01 0.00 -0.00 0.00 0.00 39.34 40.21 2rgu n TYR 547 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2rgu n ALA 548 N -2.48 -0.02 -1.21 2.98 0.00 -1.26 -3.56 120.51 114.96 2rgu n ALA 548 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.16 2rgu n ALA 548 Cb 0.00 -1.36 0.22 0.00 0.00 0.00 0.00 19.45 18.31 2rgu n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2rgu s GLY 549 N -1.82 1.60 0.05 0.00 0.00 -1.26 -4.77 107.32 101.13 2rgu s GLY 549 Ca 0.00 -0.87 -0.30 0.00 0.00 0.00 0.00 44.72 43.55 2rgu s GLY 549 CO 0.00 -0.05 1.70 -4.14 0.00 0.00 0.00 173.10 170.61 2rgu s PRO 550 N -5.39 4.18 -0.78 2.90 0.02 -1.26 -2.54 135.00 132.13 2rgu s PRO 550 Ca 0.70 2.36 0.00 0.00 0.02 0.00 0.00 61.00 64.08 2rgu s PRO 550 Cb -0.11 -3.72 0.00 0.00 0.02 0.00 0.00 34.50 30.70 2rgu s PRO 550 CO 0.56 -0.78 0.00 0.00 -0.33 0.00 0.00 177.00 176.44 2rgu s SER 552 N -2.71 6.14 -0.23 0.00 1.04 -1.05 -4.18 113.70 112.70 2rgu s SER 552 Ca 0.00 0.60 -0.03 0.00 0.48 0.00 0.00 55.95 57.00 2rgu s SER 552 Cb 0.00 -1.98 0.10 0.00 0.10 0.00 0.00 66.02 64.24 2rgu s SER 552 CO 0.00 -0.53 0.22 -1.58 0.98 0.00 0.00 173.24 172.33 2rgu s GLN 553 N -4.56 0.22 -0.02 4.02 0.74 -1.26 -1.96 119.66 116.84 2rgu s GLN 553 Ca 0.45 0.02 0.21 0.00 0.05 0.00 0.00 55.36 56.10 2rgu s GLN 553 Cb -0.10 -1.09 -0.28 0.00 1.10 0.00 0.00 33.01 32.63 2rgu s GLN 553 CO 0.40 -0.79 0.51 1.63 -0.55 0.00 0.00 175.29 176.49 2rgu n LYS 554 N 5.31 0.66 -3.51 1.67 4.76 -1.26 -4.85 118.16 120.94 2rgu n LYS 554 Ca -0.05 -0.13 -0.39 0.00 -2.87 0.00 0.00 58.31 54.87 2rgu n LYS 554 Cb 0.48 -1.57 -0.10 0.00 -1.84 0.00 0.00 35.03 32.00 2rgu n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2rgu s ALA 555 N -3.37 3.53 0.26 7.82 0.00 -1.26 -4.86 121.76 123.88 2rgu s ALA 555 Ca -0.07 -1.13 -0.15 0.00 0.00 0.00 0.00 51.96 50.61 2rgu s ALA 555 Cb 0.12 -2.62 0.06 0.00 0.00 0.00 0.00 23.12 20.68 2rgu s ALA 555 CO 0.88 -0.75 0.76 -0.40 0.00 0.00 0.00 175.76 176.25 2rgu n ASP 556 N 5.18 -1.77 -0.62 0.00 5.68 -1.26 -4.46 116.55 119.30 2rgu n ASP 556 Ca -0.12 -2.12 0.10 0.00 -0.50 0.00 0.00 54.79 52.16 2rgu n ASP 556 Cb 0.51 2.92 0.35 0.00 -1.14 0.00 0.00 41.12 43.75 2rgu n ASP 556 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2rgu n THR 557 N -0.52 0.25 -1.62 2.12 -2.24 -0.78 -4.96 114.28 106.53 2rgu n THR 557 Ca -0.05 -0.39 -0.34 0.00 -2.27 0.00 0.00 64.05 60.99 2rgu n THR 557 Cb 0.50 0.43 0.07 0.00 -2.10 0.00 0.00 70.33 69.23 2rgu n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2rgu s VAL 558 N -1.75 2.62 -0.17 2.28 1.01 -1.26 -1.39 120.40 121.75 2rgu s VAL 558 Ca 0.32 0.31 -0.05 0.00 0.00 0.00 0.00 61.98 62.56 2rgu s VAL 558 Cb 0.18 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 2rgu s VAL 558 CO 0.26 -0.15 0.01 0.12 0.00 0.00 0.00 175.10 175.34 2rgu s PHE 559 N -2.02 3.15 0.03 5.22 5.36 0.05 -4.80 117.98 124.96 2rgu s PHE 559 Ca 0.73 -0.09 0.01 0.00 -0.96 0.00 0.00 56.93 56.62 2rgu s PHE 559 Cb -0.27 -2.01 -0.02 0.00 -0.34 0.00 0.00 43.02 40.38 2rgu s PHE 559 CO 0.42 0.09 -0.05 1.03 -1.46 0.00 0.00 175.22 175.25 2rgu s ARG 560 N 0.30 0.38 -0.40 10.12 0.52 -1.26 -4.91 118.95 123.69 2rgu s ARG 560 Ca 0.00 -0.61 0.04 0.00 -0.52 0.00 0.00 55.73 54.64 2rgu s ARG 560 Cb -0.13 -0.07 0.11 0.00 0.52 0.00 0.00 34.95 35.38 2rgu s ARG 560 CO 0.01 -0.00 0.13 -0.51 0.02 0.00 0.00 175.30 174.95 2rgu s LEU 561 N -1.35 4.63 0.00 2.53 1.43 -1.26 -4.86 118.68 119.80 2rgu s LEU 561 Ca -0.12 -2.45 0.00 0.00 -1.03 0.00 0.00 54.13 50.53 2rgu s LEU 561 Cb -0.09 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.49 2rgu s LEU 561 CO -0.00 -0.33 0.00 -0.46 0.23 0.00 0.00 176.35 175.78 2rgu n ASN 562 N 3.86 0.08 -0.37 2.29 0.23 -1.26 -5.00 115.26 115.10 2rgu n ASN 562 Ca 0.04 -0.57 0.00 0.00 -0.53 0.00 0.00 54.58 53.52 2rgu n ASN 562 Cb 0.39 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 38.23 2rgu n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2rgu h TRP 563 N 0.57 1.22 -0.64 -2.53 7.01 -1.97 -1.00 115.95 118.62 2rgu h TRP 563 Ca 0.00 0.03 0.06 0.00 2.11 0.00 0.00 58.89 61.09 2rgu h TRP 563 Cb 0.00 -0.41 -0.04 0.00 -2.10 0.00 0.00 29.16 26.61 2rgu h TRP 563 CO 0.00 0.71 0.42 0.00 -2.79 0.00 0.00 178.44 176.79 2rgu h ALA 564 N 1.42 1.78 -0.39 2.65 0.00 -1.98 -0.63 119.26 122.11 2rgu h ALA 564 Ca 0.39 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 2rgu h ALA 564 Cb -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2rgu h ALA 564 CO -0.12 0.12 0.11 1.15 0.00 0.00 0.00 179.25 180.51 2rgu h THR 565 N 0.63 1.22 -0.27 0.00 2.02 -1.52 -2.33 112.91 112.67 2rgu h THR 565 Ca 0.28 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.73 2rgu h THR 565 Cb 0.27 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 2rgu h THR 565 CO -0.08 0.25 0.18 0.22 0.37 0.00 0.00 175.52 176.46 2rgu h TYR 566 N 0.48 0.34 -0.93 3.16 3.20 -1.00 -0.46 116.97 121.75 2rgu h TYR 566 Ca 0.12 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.04 2rgu h TYR 566 Cb 0.28 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.38 2rgu h TYR 566 CO 0.01 0.22 0.61 -0.07 -1.64 0.00 0.00 178.16 177.30 2rgu h LEU 567 N 0.36 1.01 0.18 2.82 3.38 -0.99 0.57 115.31 122.63 2rgu h LEU 567 Ca 0.10 -0.01 -0.29 0.00 0.09 0.00 0.00 57.88 57.77 2rgu h LEU 567 Cb -0.03 -0.23 0.02 0.00 0.09 0.00 0.00 40.66 40.51 2rgu h LEU 567 CO -0.02 0.68 -1.38 0.00 0.09 0.00 0.00 178.44 177.81 2rgu h ALA 568 N 1.46 0.00 0.18 1.53 0.00 -1.30 0.89 119.26 122.03 2rgu h ALA 568 Ca 0.37 -0.94 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 2rgu h ALA 568 Cb 0.03 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2rgu h ALA 568 CO -0.12 0.73 -0.09 1.03 0.00 0.00 0.00 179.25 180.80 2rgu h SER 569 N -0.08 -0.21 0.03 0.00 0.87 -0.93 -2.79 113.55 110.44 2rgu h SER 569 Ca -0.26 -0.13 -0.38 0.00 -1.23 0.00 0.00 61.79 59.79 2rgu h SER 569 Cb 1.94 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 63.90 2rgu h SER 569 CO 0.18 0.01 -2.18 0.41 -0.53 0.00 0.00 176.83 174.72 2rgu n THR 570 N -5.11 1.58 1.34 2.23 -1.04 0.18 -4.48 114.28 108.97 2rgu n THR 570 Ca -0.09 -0.46 0.13 0.00 -2.04 0.00 0.00 64.05 61.60 2rgu n THR 570 Cb 0.18 -1.71 0.44 0.00 -1.82 0.00 0.00 70.33 67.42 2rgu n THR 570 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2rgu n GLU 571 N -3.75 1.06 -3.48 -2.82 -0.58 -1.05 -4.94 120.64 105.09 2rgu n GLU 571 Ca -0.42 -0.60 -0.24 0.00 -0.42 0.00 0.00 57.16 55.48 2rgu n GLU 571 Cb 0.93 -1.49 0.07 0.00 -0.57 0.00 0.00 31.44 30.38 2rgu n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2rgu n ASN 572 N -0.44 -6.27 -4.73 1.62 3.02 -0.78 -4.95 115.26 102.74 2rgu n ASN 572 Ca 0.14 -0.49 -0.35 0.00 -0.03 0.00 0.00 54.58 53.85 2rgu n ASN 572 Cb 0.34 -4.96 -0.08 0.00 -0.61 0.00 0.00 39.78 34.47 2rgu n ASN 572 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2rgu s ILE 573 N -3.29 5.32 -0.04 2.41 1.01 0.24 -4.51 121.20 122.34 2rgu s ILE 573 Ca 0.53 0.16 -0.29 0.00 0.00 0.00 0.00 60.65 61.04 2rgu s ILE 573 Cb -0.23 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 2rgu s ILE 573 CO 0.65 0.46 0.94 -0.63 0.00 0.00 0.00 174.94 176.36 2rgu s ILE 574 N 0.25 4.87 -0.26 2.92 1.01 -0.83 -3.28 121.20 125.88 2rgu s ILE 574 Ca 0.08 1.96 -0.02 0.00 0.00 0.00 0.00 60.65 62.67 2rgu s ILE 574 Cb -0.11 -4.28 0.03 0.00 0.01 0.00 0.00 42.46 38.11 2rgu s ILE 574 CO -0.01 0.13 -0.04 -0.69 0.00 0.00 0.00 174.94 174.33 2rgu s VAL 575 N 1.25 2.98 0.02 2.92 1.01 -1.08 -0.20 120.40 127.30 2rgu s VAL 575 Ca 0.49 -1.07 0.07 0.00 0.00 0.00 0.00 61.98 61.46 2rgu s VAL 575 Cb -0.20 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2rgu s VAL 575 CO 0.24 0.13 -0.19 0.00 0.00 0.00 0.00 175.10 175.28 2rgu s ALA 576 N 1.32 2.54 0.26 5.51 0.00 0.08 -0.60 121.76 130.87 2rgu s ALA 576 Ca -0.01 -1.16 0.11 0.00 0.00 0.00 0.00 51.96 50.91 2rgu s ALA 576 Cb -0.17 -0.74 -0.05 0.00 0.00 0.00 0.00 23.12 22.16 2rgu s ALA 576 CO -0.03 0.56 -0.19 -1.12 0.00 0.00 0.00 175.76 174.98 2rgu s SER 577 N -1.22 3.41 -0.15 0.00 0.01 -1.08 -0.97 113.70 113.69 2rgu s SER 577 Ca 0.13 -1.01 -0.09 0.00 1.31 0.00 0.00 55.95 56.29 2rgu s SER 577 Cb -0.10 -0.27 0.05 0.00 0.21 0.00 0.00 66.02 65.91 2rgu s SER 577 CO 0.04 0.01 0.37 0.12 0.41 0.00 0.00 173.24 174.19 2rgu s PHE 578 N -2.51 -0.51 -0.70 2.43 5.36 -1.26 -2.01 117.98 118.78 2rgu s PHE 578 Ca 0.28 1.13 -0.11 0.00 -0.96 0.00 0.00 56.93 57.27 2rgu s PHE 578 Cb -0.05 0.20 0.18 0.00 -0.34 0.00 0.00 43.02 43.02 2rgu s PHE 578 CO 0.13 -0.29 0.61 -0.51 -1.46 0.00 0.00 175.22 173.70 2rgu s ASP 579 N 1.11 6.24 0.00 6.13 1.01 -0.58 -4.78 116.67 125.79 2rgu s ASP 579 Ca -0.07 -2.50 0.00 0.00 0.71 0.00 0.00 52.55 50.69 2rgu s ASP 579 Cb -0.07 -2.11 0.00 0.00 1.01 0.00 0.00 42.92 41.74 2rgu s ASP 579 CO -0.09 -0.59 0.00 0.61 0.21 0.00 0.00 175.17 175.31 2rgu n GLY 580 N 4.18 1.34 3.75 0.21 0.00 -1.26 -4.12 105.19 109.29 2rgu n GLY 580 Ca 0.06 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 2rgu n GLY 580 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rgu s ARG 581 N 2.20 3.21 0.00 1.61 0.52 -1.26 -2.42 118.95 122.80 2rgu s ARG 581 Ca 0.00 2.19 0.00 0.00 -0.52 0.00 0.00 55.73 57.40 2rgu s ARG 581 Cb 0.00 -2.27 0.00 0.00 0.52 0.00 0.00 34.95 33.20 2rgu s ARG 581 CO 0.00 -1.12 0.00 0.41 0.02 0.00 0.00 175.30 174.61 2rgu n GLY 582 N 0.69 2.92 3.48 -3.53 0.00 0.70 -4.14 105.19 105.31 2rgu n GLY 582 Ca 0.10 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 2rgu n GLY 582 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rgu n SER 583 N 0.18 -1.40 -3.73 1.61 3.41 -1.02 -0.73 113.62 111.94 2rgu n SER 583 Ca 0.00 0.03 -0.20 0.00 -0.26 0.00 0.00 58.87 58.45 2rgu n SER 583 Cb 0.00 -1.25 -0.03 0.00 -0.26 0.00 0.00 64.21 62.67 2rgu n SER 583 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rgu n GLY 584 N 1.07 3.53 2.24 5.00 0.00 -0.83 -3.56 105.19 112.64 2rgu n GLY 584 Ca 0.05 -2.30 -0.12 0.00 0.00 0.00 0.00 46.02 43.66 2rgu n GLY 584 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2rgu n TYR 585 N -0.95 -0.46 -1.78 1.61 4.01 -1.26 -4.88 117.16 113.44 2rgu n TYR 585 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 2rgu n TYR 585 Cb 0.41 -2.58 0.00 0.00 -0.31 0.00 0.00 39.34 36.86 2rgu n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2rgu n GLN 586 N -2.22 0.00 0.00 -0.72 6.02 -1.26 -4.52 117.38 114.68 2rgu n GLN 586 Ca -0.13 -0.83 0.00 0.00 -0.01 0.00 0.00 57.00 56.02 2rgu n GLN 586 Cb 0.57 -0.47 0.00 0.00 1.02 0.00 0.00 30.24 31.36 2rgu n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2rgu n GLY 587 N 0.00 2.30 0.17 1.08 0.00 -1.26 -4.65 105.19 102.83 2rgu n GLY 587 Ca 0.00 -1.82 0.13 0.00 0.00 0.00 0.00 46.02 44.33 2rgu n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2rgu h ASP 588 N 0.00 0.00 -0.78 1.61 3.32 -1.11 -2.60 116.42 116.86 2rgu h ASP 588 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2rgu h ASP 588 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2rgu h ASP 588 CO 0.00 0.00 0.34 0.50 -1.72 0.00 0.00 179.24 178.36 2rgu h LYS 589 N 0.00 1.15 0.12 3.56 3.64 -1.85 -0.26 116.57 122.93 2rgu h LYS 589 Ca 0.00 -0.19 -0.25 0.00 -1.27 0.00 0.00 60.65 58.93 2rgu h LYS 589 Cb 0.41 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2rgu h LYS 589 CO 0.00 0.92 -1.25 0.82 -2.27 0.00 0.00 179.45 177.67 2rgu h ILE 590 N 1.12 1.16 -0.50 2.00 2.04 -1.79 -3.28 117.51 118.28 2rgu h ILE 590 Ca 0.26 -2.44 -0.09 0.00 1.00 0.00 0.00 64.86 63.59 2rgu h ILE 590 Cb 0.18 2.85 -0.02 0.00 -0.74 0.00 0.00 36.82 39.09 2rgu h ILE 590 CO -0.03 0.70 -0.05 -0.03 0.00 0.00 0.00 178.15 178.75 2rgu h MET 591 N -0.32 0.91 -0.00 2.37 4.05 -1.43 0.20 114.93 120.71 2rgu h MET 591 Ca -0.26 -0.32 0.00 0.00 -0.28 0.00 0.00 59.70 58.84 2rgu h MET 591 Cb 1.73 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 32.46 2rgu h MET 591 CO 0.08 0.97 -0.07 0.72 0.23 0.00 0.00 176.91 178.84 2rgu n HIS 592 N -4.27 0.00 -0.06 1.39 8.25 -0.12 -3.90 115.22 116.52 2rgu n HIS 592 Ca 0.01 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.62 2rgu n HIS 592 Cb 0.35 -0.13 0.58 0.00 1.12 0.00 0.00 29.99 31.91 2rgu n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2rgu h ALA 593 N 3.77 2.22 0.00 -1.41 0.00 -1.59 -0.45 119.26 121.80 2rgu h ALA 593 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2rgu h ALA 593 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2rgu h ALA 593 CO 0.00 -0.38 -0.18 -0.89 0.00 0.00 0.00 179.25 177.81 2rgu n ILE 594 N -4.44 0.36 -1.58 0.00 -0.00 -1.25 -4.89 119.36 107.55 2rgu n ILE 594 Ca 0.10 -0.19 -0.59 0.00 -0.00 0.00 0.00 62.75 62.07 2rgu n ILE 594 Cb 0.49 -0.40 -0.08 0.00 -0.00 0.00 0.00 39.64 39.66 2rgu n ILE 594 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 2rgu n ASN 595 N -1.99 0.76 -0.19 4.38 5.15 -0.18 -0.70 115.26 122.48 2rgu n ASN 595 Ca 0.05 1.15 -0.02 0.00 -0.60 0.00 0.00 54.58 55.16 2rgu n ASN 595 Cb 0.40 -0.99 -0.01 0.00 -0.53 0.00 0.00 39.78 38.66 2rgu n ASN 595 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2rgu n ARG 596 N 2.50 -1.92 -2.66 1.20 1.74 0.45 -4.78 116.66 113.19 2rgu n ARG 596 Ca 0.22 0.47 -0.09 0.00 -0.77 0.00 0.00 57.85 57.69 2rgu n ARG 596 Cb 0.08 -4.57 0.03 0.00 -1.02 0.00 0.00 32.46 26.98 2rgu n ARG 596 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2rgu n ARG 597 N 0.41 1.80 -1.85 5.56 1.74 0.12 -4.90 116.66 119.54 2rgu n ARG 597 Ca -0.02 -3.55 -0.37 0.00 -0.77 0.00 0.00 57.85 53.14 2rgu n ARG 597 Cb 0.41 -1.57 0.05 0.00 -1.02 0.00 0.00 32.46 30.33 2rgu n ARG 597 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2rgu s LEU 598 N -3.47 3.68 0.00 0.55 1.43 -1.22 -3.08 118.68 116.58 2rgu s LEU 598 Ca 0.31 2.58 0.00 0.00 -1.03 0.00 0.00 54.13 55.99 2rgu s LEU 598 Cb 0.40 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 42.10 2rgu s LEU 598 CO -0.01 -1.74 0.00 0.61 0.23 0.00 0.00 176.35 175.44 2rgu n GLY 599 N 0.73 0.44 0.00 -3.19 0.00 -1.26 -4.85 105.19 97.06 2rgu n GLY 599 Ca 0.14 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2rgu n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2rgu n THR 600 N -2.95 0.00 -0.23 2.61 -2.24 -1.18 -4.79 114.28 105.50 2rgu n THR 600 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 2rgu n THR 600 Cb 0.03 0.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.40 2rgu n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2rgu h PHE 601 N 0.00 0.16 -0.24 4.78 0.04 -1.94 0.18 116.94 119.93 2rgu h PHE 601 Ca 0.00 0.04 0.05 0.00 2.80 0.00 0.00 57.97 60.87 2rgu h PHE 601 Cb 0.00 0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 2rgu h PHE 601 CO 0.00 -0.10 0.17 1.05 -0.60 0.00 0.00 178.31 178.83 2rgu h GLU 602 N 0.22 0.08 0.04 1.51 9.09 -1.90 0.13 114.58 123.74 2rgu h GLU 602 Ca 0.37 -0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.70 2rgu h GLU 602 Cb 0.61 -0.02 0.01 0.00 -1.65 0.00 0.00 28.75 27.69 2rgu h GLU 602 CO -0.50 0.05 -0.29 0.28 0.05 0.00 0.00 179.01 178.61 2rgu h VAL 603 N 0.08 1.65 0.05 -1.06 2.07 -1.06 -3.18 116.25 114.80 2rgu h VAL 603 Ca 0.11 -2.27 0.02 0.00 0.82 0.00 0.00 66.70 65.38 2rgu h VAL 603 Cb 0.34 3.15 -0.03 0.00 -1.52 0.00 0.00 31.29 33.23 2rgu h VAL 603 CO -0.01 0.61 -0.20 -0.33 0.02 0.00 0.00 177.57 177.66 2rgu h GLU 604 N -0.68 -0.34 -0.43 1.57 5.08 -0.32 -2.15 114.58 117.32 2rgu h GLU 604 Ca -0.05 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.46 2rgu h GLU 604 Cb 1.17 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 2rgu h GLU 604 CO 0.06 -0.23 0.34 -0.44 -1.00 0.00 0.00 179.01 177.74 2rgu h ASP 605 N -0.35 0.00 0.10 1.42 5.19 -0.90 0.12 116.42 122.00 2rgu h ASP 605 Ca 0.04 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.21 2rgu h ASP 605 Cb 0.40 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.93 2rgu h ASP 605 CO -0.15 0.00 -0.98 1.56 -3.12 0.00 0.00 179.24 176.55 2rgu h GLN 606 N 0.00 0.61 -0.25 3.56 1.08 -1.38 -1.80 115.11 116.93 2rgu h GLN 606 Ca 0.20 -0.64 -0.05 0.00 -1.45 0.00 0.00 58.65 56.72 2rgu h GLN 606 Cb 0.88 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.48 2rgu h GLN 606 CO -0.00 1.24 -0.03 0.82 -0.95 0.00 0.00 178.83 179.91 2rgu h ILE 607 N 0.35 1.27 0.24 2.54 2.04 -0.59 -2.72 117.51 120.65 2rgu h ILE 607 Ca -0.10 -1.00 0.01 0.00 1.00 0.00 0.00 64.86 64.76 2rgu h ILE 607 Cb 1.62 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 39.08 2rgu h ILE 607 CO 0.19 0.31 -0.42 -0.08 0.00 0.00 0.00 178.15 178.15 2rgu h GLU 608 N 0.23 -0.71 -0.91 2.37 4.57 -0.89 -1.74 114.58 117.51 2rgu h GLU 608 Ca 0.07 0.05 0.24 0.00 -1.18 0.00 0.00 59.36 58.54 2rgu h GLU 608 Cb 0.48 0.16 -0.14 0.00 -0.16 0.00 0.00 28.75 29.09 2rgu h GLU 608 CO 0.02 -0.47 0.36 0.00 -1.18 0.00 0.00 179.01 177.74 2rgu h ALA 609 N -0.31 1.46 -0.08 2.92 0.00 -1.27 0.43 119.26 122.41 2rgu h ALA 609 Ca -0.00 0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2rgu h ALA 609 Cb 0.71 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2rgu h ALA 609 CO -0.17 -0.43 -0.32 0.00 0.00 0.00 0.00 179.25 178.33 2rgu h ALA 610 N 1.76 1.33 -0.42 0.00 0.00 -1.07 -1.13 119.26 119.72 2rgu h ALA 610 Ca 0.59 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 2rgu h ALA 610 Cb 1.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2rgu h ALA 610 CO -0.60 0.48 -0.03 0.00 0.00 0.00 0.00 179.25 179.10 2rgu h ARG 611 N 0.13 0.76 -0.26 0.00 3.08 0.68 -0.72 114.38 118.05 2rgu h ARG 611 Ca 0.02 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 2rgu h ARG 611 Cb 0.63 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 2rgu h ARG 611 CO 0.05 0.86 0.09 1.96 -1.07 0.00 0.00 179.97 181.85 2rgu h GLN 612 N 0.59 0.39 -0.29 0.04 1.08 -0.96 -2.11 115.11 113.86 2rgu h GLN 612 Ca 0.11 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 2rgu h GLN 612 Cb 0.53 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 2rgu h GLN 612 CO 0.03 0.45 0.07 0.74 -0.95 0.00 0.00 178.83 179.18 2rgu h PHE 613 N 0.25 0.41 -0.13 2.96 0.04 -1.11 -1.62 116.94 117.74 2rgu h PHE 613 Ca 0.08 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.85 2rgu h PHE 613 Cb 0.22 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 2rgu h PHE 613 CO 0.00 0.36 0.04 0.77 -0.60 0.00 0.00 178.31 178.88 2rgu h SER 614 N 0.41 0.03 0.12 2.17 0.02 -0.66 -2.89 113.55 112.75 2rgu h SER 614 Ca 0.10 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2rgu h SER 614 Cb 0.16 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 2rgu h SER 614 CO -0.00 0.04 -0.53 0.11 -1.14 0.00 0.00 176.83 175.30 2rgu h LYS 615 N 0.09 -0.73 -5.19 3.45 1.57 -0.66 -3.41 116.57 111.68 2rgu h LYS 615 Ca 0.05 0.05 -0.70 0.00 -1.87 0.00 0.00 60.65 58.19 2rgu h LYS 615 Cb 0.04 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2rgu h LYS 615 CO -0.06 -0.49 0.98 -1.33 -0.57 0.00 0.00 179.45 177.98 2rgu n MET 616 N -5.49 0.00 0.00 3.15 2.81 -0.86 -4.66 117.12 112.07 2rgu n MET 616 Ca -0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 2rgu n MET 616 Cb 0.41 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 2rgu n MET 616 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2rgu n GLY 617 N 5.56 -0.04 0.77 3.03 0.00 -1.26 -1.09 105.19 112.16 2rgu n GLY 617 Ca 0.41 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.50 2rgu n GLY 617 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2rgu n PHE 618 N -0.80 0.66 -4.50 1.61 1.16 -1.26 -4.71 117.46 109.62 2rgu n PHE 618 Ca 0.00 -0.62 -0.33 0.00 -1.87 0.00 0.00 57.45 54.63 2rgu n PHE 618 Cb 0.11 -0.12 -0.15 0.00 -1.61 0.00 0.00 39.48 37.70 2rgu n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2rgu s VAL 619 N -1.58 2.59 -0.59 1.97 1.01 -0.25 -1.25 120.40 122.30 2rgu s VAL 619 Ca 0.30 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 61.21 2rgu s VAL 619 Cb 0.20 -2.09 0.03 0.00 0.00 0.00 0.00 36.38 34.52 2rgu s VAL 619 CO 0.14 0.52 1.24 -0.62 0.00 0.00 0.00 175.10 176.38 2rgu s ASP 620 N 0.86 6.36 0.00 3.32 3.68 -0.80 -4.84 116.67 125.26 2rgu s ASP 620 Ca -0.05 0.09 0.10 0.00 2.13 0.00 0.00 52.55 54.82 2rgu s ASP 620 Cb -0.15 -2.55 0.62 0.00 -1.45 0.00 0.00 42.92 39.38 2rgu s ASP 620 CO -0.01 -1.56 1.05 -0.46 0.13 0.00 0.00 175.17 174.32 2rgu n ASN 621 N 8.73 0.00 0.01 -0.34 2.04 -1.26 -1.49 115.26 122.96 2rgu n ASN 621 Ca 0.09 -0.39 0.11 0.00 -0.44 0.00 0.00 54.58 53.95 2rgu n ASN 621 Cb 0.49 0.00 0.06 0.00 -2.53 0.00 0.00 39.78 37.80 2rgu n ASN 621 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 2rgu n LYS 622 N -0.95 0.11 -3.44 -3.83 5.02 -1.26 -4.63 118.16 109.17 2rgu n LYS 622 Ca 0.08 -0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.10 2rgu n LYS 622 Cb 0.04 -1.53 -0.10 0.00 -0.02 0.00 0.00 35.03 33.41 2rgu n LYS 622 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2rgu n ARG 623 N -1.68 0.48 -4.00 1.97 1.74 -0.55 -4.87 116.66 109.74 2rgu n ARG 623 Ca 0.04 -3.37 -0.30 0.00 -0.77 0.00 0.00 57.85 53.44 2rgu n ARG 623 Cb 0.37 -1.73 -0.16 0.00 -1.02 0.00 0.00 32.46 29.93 2rgu n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2rgu s ILE 624 N -0.28 1.58 0.35 0.55 1.01 -1.26 -1.04 121.20 122.12 2rgu s ILE 624 Ca 0.32 -0.81 0.08 0.00 0.00 0.00 0.00 60.65 60.24 2rgu s ILE 624 Cb 0.04 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 2rgu s ILE 624 CO -0.19 0.30 0.18 0.00 0.00 0.00 0.00 174.94 175.23 2rgu s ALA 625 N 1.45 3.58 -0.04 9.38 0.00 0.18 -2.10 121.76 134.21 2rgu s ALA 625 Ca 0.02 -1.85 -0.04 0.00 0.00 0.00 0.00 51.96 50.09 2rgu s ALA 625 Cb -0.15 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.23 2rgu s ALA 625 CO -0.09 -0.01 0.10 -1.50 0.00 0.00 0.00 175.76 174.26 2rgu s ILE 626 N -2.44 0.00 -0.09 0.00 2.07 -1.08 0.04 121.20 119.70 2rgu s ILE 626 Ca 0.39 -0.02 -0.17 0.00 -1.41 0.00 0.00 60.65 59.45 2rgu s ILE 626 Cb -0.02 -0.16 0.04 0.00 0.13 0.00 0.00 42.46 42.45 2rgu s ILE 626 CO 0.23 -0.01 0.41 -1.66 -1.91 0.00 0.00 174.94 172.00 2rgu s TRP 627 N 0.02 -0.37 0.12 3.50 1.48 -0.76 -0.81 118.94 122.11 2rgu s TRP 627 Ca -0.00 0.79 -0.20 0.00 -1.06 0.00 0.00 56.10 55.62 2rgu s TRP 627 Cb -0.01 0.16 0.05 0.00 -1.16 0.00 0.00 33.47 32.52 2rgu s TRP 627 CO 0.00 -0.33 0.51 0.20 -4.06 0.00 0.00 176.95 173.27 2rgu s GLY 628 N -0.54 -0.45 -0.00 3.67 0.00 -0.72 -0.72 107.32 108.56 2rgu s GLY 628 Ca -0.07 0.33 0.07 0.00 0.00 0.00 0.00 44.72 45.05 2rgu s GLY 628 CO 0.03 0.03 -0.21 0.86 0.00 0.00 0.00 173.10 173.81 2rgu s TRP 629 N -3.44 1.92 0.00 1.90 -0.11 -1.26 -1.27 118.94 116.68 2rgu s TRP 629 Ca 0.00 -0.37 0.00 0.00 1.22 0.00 0.00 56.10 56.96 2rgu s TRP 629 Cb 0.00 -1.22 0.00 0.00 -1.50 0.00 0.00 33.47 30.76 2rgu s TRP 629 CO -0.10 -0.01 0.00 0.45 -4.62 0.00 0.00 176.95 172.67 2rgu n SER 630 N 2.42 0.00 0.10 5.86 2.88 0.48 -1.49 113.62 123.86 2rgu n SER 630 Ca -0.16 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.50 2rgu n SER 630 Cb 0.53 0.00 0.60 0.00 -0.75 0.00 0.00 64.21 64.59 2rgu n SER 630 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2rgu h TYR 631 N 0.00 0.14 0.00 0.66 5.03 -1.88 0.38 116.97 121.30 2rgu h TYR 631 Ca 0.00 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.20 2rgu h TYR 631 Cb 0.00 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.22 2rgu h TYR 631 CO 0.00 0.08 -0.53 0.78 -1.32 0.00 0.00 178.16 177.17 2rgu h GLY 632 N 0.14 0.00 0.94 1.82 0.00 -1.31 -1.18 103.07 103.48 2rgu h GLY 632 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 2rgu h GLY 632 CO -0.02 0.00 0.12 -1.33 0.00 0.00 0.00 176.54 175.31 2rgu h GLY 633 N 1.59 0.71 1.00 4.60 0.00 -0.07 -0.02 103.07 110.89 2rgu h GLY 633 Ca -0.01 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 2rgu h GLY 633 CO 0.07 0.40 -0.30 -1.82 0.00 0.00 0.00 176.54 174.89 2rgu h TYR 634 N 0.54 -0.79 -0.70 5.60 3.20 -0.89 -1.65 116.97 122.29 2rgu h TYR 634 Ca 0.13 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.04 2rgu h TYR 634 Cb 0.28 0.26 -0.05 0.00 1.54 0.00 0.00 36.73 38.76 2rgu h TYR 634 CO 0.01 -0.49 0.40 0.28 -1.64 0.00 0.00 178.16 176.73 2rgu h VAL 635 N -0.86 1.00 -0.84 1.81 2.07 -1.17 -0.88 116.25 117.39 2rgu h VAL 635 Ca -0.09 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.24 2rgu h VAL 635 Cb 0.65 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 2rgu h VAL 635 CO 0.14 0.14 0.51 0.74 0.02 0.00 0.00 177.57 179.12 2rgu h THR 636 N 0.75 1.02 -0.29 2.57 2.02 -0.87 0.86 112.91 118.97 2rgu h THR 636 Ca 0.31 -0.32 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 2rgu h THR 636 Cb 0.16 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 2rgu h THR 636 CO -0.17 0.17 -0.03 0.28 0.37 0.00 0.00 175.52 176.14 2rgu h SER 637 N 0.92 0.53 -0.56 4.18 0.02 -0.25 -0.18 113.55 118.21 2rgu h SER 637 Ca 0.37 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2rgu h SER 637 Cb 0.20 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 2rgu h SER 637 CO -0.18 0.74 0.35 0.24 -1.14 0.00 0.00 176.83 176.84 2rgu h MET 638 N 0.31 0.75 0.20 3.45 2.86 -0.81 0.94 114.93 122.64 2rgu h MET 638 Ca 0.08 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2rgu h MET 638 Cb 0.49 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 2rgu h MET 638 CO 0.02 0.52 -0.27 0.28 1.06 0.00 0.00 176.91 178.53 2rgu h VAL 639 N 0.76 0.42 0.00 -2.22 2.07 -0.68 -1.46 116.25 115.14 2rgu h VAL 639 Ca 0.20 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.72 2rgu h VAL 639 Cb -0.05 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2rgu h VAL 639 CO -0.04 0.00 -0.01 -0.07 0.02 0.00 0.00 177.57 177.47 2rgu h LEU 640 N -0.53 0.00 -3.27 2.57 3.38 -0.64 -2.01 115.31 114.82 2rgu h LEU 640 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2rgu h LEU 640 Cb 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2rgu h LEU 640 CO -0.10 0.01 0.03 0.61 0.09 0.00 0.00 178.44 179.09 2rgu n GLY 641 N -1.30 2.89 0.12 0.83 0.00 0.29 -4.24 105.19 103.77 2rgu n GLY 641 Ca -0.03 -0.82 0.10 0.00 0.00 0.00 0.00 46.02 45.28 2rgu n GLY 641 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rgu n SER 642 N 0.46 1.18 -1.62 1.61 3.41 -0.76 -4.77 113.62 113.13 2rgu n SER 642 Ca 0.26 -1.05 -0.16 0.00 -0.26 0.00 0.00 58.87 57.67 2rgu n SER 642 Cb 1.11 0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 65.83 2rgu n SER 642 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rgu n GLY 643 N 1.48 0.32 0.21 5.00 0.00 -1.26 -4.89 105.19 106.04 2rgu n GLY 643 Ca 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 2rgu n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2rgu h SER 644 N 0.00 0.28 0.00 1.61 4.64 -1.90 -3.47 113.55 114.71 2rgu h SER 644 Ca -0.36 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2rgu h SER 644 Cb 1.20 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2rgu h SER 644 CO 0.45 0.62 0.00 0.61 -0.87 0.00 0.00 176.83 177.64 2rgu n GLY 645 N -0.29 0.71 0.13 -0.77 0.00 -1.26 -4.94 105.19 98.76 2rgu n GLY 645 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 2rgu n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2rgu h VAL 646 N 0.00 1.12 -2.88 1.61 2.07 -1.96 -3.46 116.25 112.75 2rgu h VAL 646 Ca 0.00 -2.72 -0.66 0.00 0.82 0.00 0.00 66.70 64.15 2rgu h VAL 646 Cb 0.00 2.80 -0.10 0.00 -1.52 0.00 0.00 31.29 32.48 2rgu h VAL 646 CO 0.00 0.83 -0.51 -0.36 0.02 0.00 0.00 177.57 177.55 2rgu s PHE 647 N -2.61 3.48 -0.04 1.57 0.40 -1.26 -4.57 117.98 114.95 2rgu s PHE 647 Ca -0.11 0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.65 2rgu s PHE 647 Cb 0.06 -1.96 -0.26 0.00 0.51 0.00 0.00 43.02 41.37 2rgu s PHE 647 CO 0.87 0.59 0.67 -0.22 0.70 0.00 0.00 175.22 177.83 2rgu h LYS 648 N 5.39 0.18 -3.51 0.44 3.64 -1.76 -3.46 116.57 117.49 2rgu h LYS 648 Ca -0.51 -0.31 -0.04 0.00 -1.27 0.00 0.00 60.65 58.52 2rgu h LYS 648 Cb 1.21 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 33.07 2rgu h LYS 648 CO 0.61 0.97 -0.03 0.00 -2.27 0.00 0.00 179.45 178.73 2rgu s GLY 650 N -3.02 -0.42 -0.09 0.00 0.00 -0.88 -2.64 107.32 100.27 2rgu s GLY 650 Ca 0.20 1.35 0.02 0.00 0.00 0.00 0.00 44.72 46.30 2rgu s GLY 650 CO 0.10 0.63 -0.14 -0.42 0.00 0.00 0.00 173.10 173.27 2rgu s ILE 651 N -2.26 1.30 -0.13 0.90 1.01 0.01 -1.88 121.20 120.15 2rgu s ILE 651 Ca 0.01 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.12 2rgu s ILE 651 Cb -0.01 -1.19 -0.00 0.00 0.01 0.00 0.00 42.46 41.27 2rgu s ILE 651 CO -0.03 0.40 -0.18 0.00 0.00 0.00 0.00 174.94 175.12 2rgu s ALA 652 N 0.84 2.39 -0.12 9.38 0.00 -0.41 -1.76 121.76 132.09 2rgu s ALA 652 Ca -0.11 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 50.87 2rgu s ALA 652 Cb -0.15 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 21.89 2rgu s ALA 652 CO 0.01 0.11 -0.18 0.08 0.00 0.00 0.00 175.76 175.79 2rgu s VAL 653 N 0.59 2.57 -1.50 0.00 1.01 -0.39 -1.54 120.40 121.14 2rgu s VAL 653 Ca -0.10 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 2rgu s VAL 653 Cb -0.16 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.18 2rgu s VAL 653 CO 0.03 0.54 0.11 0.00 0.00 0.00 0.00 175.10 175.78 2rgu n ALA 654 N 3.61 -2.09 -1.86 5.51 0.00 0.53 -0.39 120.51 125.82 2rgu n ALA 654 Ca -0.19 -0.44 -0.32 0.00 0.00 0.00 0.00 53.44 52.49 2rgu n ALA 654 Cb 0.53 -1.06 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 2rgu n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2rgu s PRO 655 N -7.37 4.05 0.44 0.00 0.04 -1.26 -2.99 135.00 127.91 2rgu s PRO 655 Ca 0.07 0.98 -0.19 0.00 0.04 0.00 0.00 61.00 61.90 2rgu s PRO 655 Cb -0.04 -2.18 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 2rgu s PRO 655 CO 0.99 -0.15 0.93 0.08 0.04 0.00 0.00 177.00 178.90 2rgu s VAL 656 N -2.41 4.46 0.00 -0.36 1.01 -1.25 -4.45 120.40 117.40 2rgu s VAL 656 Ca 0.60 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.93 2rgu s VAL 656 Cb -0.10 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2rgu s VAL 656 CO 0.24 -0.39 0.00 -1.54 0.00 0.00 0.00 175.10 173.40 2rgu n SER 657 N -0.83 4.29 -3.65 3.32 3.41 -1.26 -4.30 113.62 114.59 2rgu n SER 657 Ca 0.06 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.65 2rgu n SER 657 Cb 0.54 0.70 -0.05 0.00 -0.26 0.00 0.00 64.21 65.14 2rgu n SER 657 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2rgu s ARG 658 N -1.77 0.54 0.23 4.33 3.52 -1.26 -0.31 118.95 124.22 2rgu s ARG 658 Ca 0.00 1.36 0.11 0.00 -0.13 0.00 0.00 55.73 57.07 2rgu s ARG 658 Cb 0.00 0.73 0.59 0.00 -1.56 0.00 0.00 34.95 34.71 2rgu s ARG 658 CO 0.00 -0.21 1.23 0.91 -0.81 0.00 0.00 175.30 176.42 2rgu n TRP 659 N 5.37 0.37 0.61 5.12 7.02 -1.26 -0.93 117.44 133.73 2rgu n TRP 659 Ca -0.12 0.19 0.12 0.00 -1.02 0.00 0.00 57.50 56.68 2rgu n TRP 659 Cb 0.50 -0.65 0.45 0.00 -2.42 0.00 0.00 31.31 29.18 2rgu n TRP 659 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 2rgu n GLU 660 N -1.88 0.19 0.10 -0.99 1.02 -1.26 -3.27 120.64 114.55 2rgu n GLU 660 Ca -0.01 0.24 0.07 0.00 -0.02 0.00 0.00 57.16 57.44 2rgu n GLU 660 Cb 0.22 -1.76 -0.01 0.00 -0.02 0.00 0.00 31.44 29.87 2rgu n GLU 660 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 2rgu h TYR 661 N 0.00 0.00 -3.73 -0.32 0.05 -1.43 -3.33 116.97 108.21 2rgu h TYR 661 Ca 0.00 0.00 -0.46 0.00 0.05 0.00 0.00 58.73 58.32 2rgu h TYR 661 Cb 0.58 0.00 0.07 0.00 1.01 0.00 0.00 36.73 38.39 2rgu h TYR 661 CO 0.00 0.25 0.22 -0.47 -1.05 0.00 0.00 178.16 177.11 2rgu s TYR 662 N -3.15 2.98 0.73 4.88 5.04 -1.20 -4.82 117.35 121.81 2rgu s TYR 662 Ca -0.00 0.48 -0.13 0.00 -2.44 0.00 0.00 57.07 54.98 2rgu s TYR 662 Cb 0.09 -3.10 0.04 0.00 0.35 0.00 0.00 41.96 39.33 2rgu s TYR 662 CO 0.78 -1.29 1.14 0.16 -1.34 0.00 0.00 175.55 175.00 2rgu s ASP 663 N -4.47 4.44 0.07 4.32 1.47 -1.26 -2.07 116.67 119.17 2rgu s ASP 663 Ca 0.59 2.09 -0.31 0.00 1.18 0.00 0.00 52.55 56.09 2rgu s ASP 663 Cb -0.11 -2.56 -0.18 0.00 -0.34 0.00 0.00 42.92 39.73 2rgu s ASP 663 CO 0.45 -2.08 1.65 0.77 0.68 0.00 0.00 175.17 176.63 2rgu h SER 664 N -0.54 -0.65 -1.00 2.11 4.64 -1.33 -2.36 113.55 114.42 2rgu h SER 664 Ca -0.46 0.02 0.15 0.00 -0.47 0.00 0.00 61.79 61.04 2rgu h SER 664 Cb 1.26 0.17 -0.09 0.00 -0.31 0.00 0.00 62.40 63.42 2rgu h SER 664 CO 0.51 -0.46 0.62 0.58 -0.87 0.00 0.00 176.83 177.21 2rgu h VAL 665 N -0.76 0.82 0.08 0.95 2.07 -1.94 0.41 116.25 117.88 2rgu h VAL 665 Ca -0.08 -0.30 -0.16 0.00 0.82 0.00 0.00 66.70 66.98 2rgu h VAL 665 Cb 0.58 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2rgu h VAL 665 CO 0.13 0.16 -0.79 0.22 0.02 0.00 0.00 177.57 177.30 2rgu h TYR 666 N 0.88 0.30 0.70 1.57 5.03 -1.93 -3.25 116.97 120.27 2rgu h TYR 666 Ca 0.53 -0.22 -0.03 0.00 2.58 0.00 0.00 58.73 61.59 2rgu h TYR 666 Cb 0.69 -0.01 0.01 0.00 1.55 0.00 0.00 36.73 38.97 2rgu h TYR 666 CO -0.00 1.31 -0.34 1.15 -1.32 0.00 0.00 178.16 178.96 2rgu h THR 667 N -0.61 0.26 0.00 1.81 2.02 -1.21 -2.89 112.91 112.29 2rgu h THR 667 Ca -0.17 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 66.88 2rgu h THR 667 Cb 1.45 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2rgu h THR 667 CO 0.04 0.01 0.04 -0.33 0.37 0.00 0.00 175.52 175.66 2rgu h GLU 668 N -1.04 0.00 0.00 6.66 5.08 -0.38 -0.54 114.58 124.36 2rgu h GLU 668 Ca -0.10 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2rgu h GLU 668 Cb 0.74 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 2rgu h GLU 668 CO 0.16 0.00 -0.09 -0.09 -1.00 0.00 0.00 179.01 177.99 2rgu h ARG 669 N 0.00 0.00 0.00 2.33 2.43 -1.54 -1.63 114.38 115.97 2rgu h ARG 669 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2rgu h ARG 669 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2rgu h ARG 669 CO 0.00 0.09 -0.19 0.66 -1.51 0.00 0.00 179.97 179.02 2rgu n TYR 670 N -3.29 0.00 -0.05 2.20 4.01 -0.35 -4.70 117.16 114.98 2rgu n TYR 670 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2rgu n TYR 670 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 2rgu n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2rgu n MET 671 N -0.90 3.89 0.00 -0.72 2.81 -0.41 0.17 117.12 121.95 2rgu n MET 671 Ca 0.00 -0.12 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 2rgu n MET 671 Cb 0.00 -0.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.96 2rgu n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2rgu n GLY 672 N 0.59 -1.30 3.78 3.03 0.00 -0.61 -4.52 105.19 106.15 2rgu n GLY 672 Ca 0.00 -1.13 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 2rgu n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rgu s LEU 673 N 0.00 4.25 -0.10 0.99 1.43 -1.26 -4.48 118.68 119.50 2rgu s LEU 673 Ca 0.00 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 2rgu s LEU 673 Cb 0.00 -4.05 0.09 0.00 0.03 0.00 0.00 46.19 42.26 2rgu s LEU 673 CO 0.00 -0.38 1.67 -0.81 0.23 0.00 0.00 176.35 177.06 2rgu n PRO 674 N 0.26 1.26 -3.61 1.29 -0.04 -1.26 -1.65 135.00 131.25 2rgu n PRO 674 Ca 0.03 -0.54 -0.22 0.00 -0.04 0.00 0.00 63.50 62.74 2rgu n PRO 674 Cb 0.49 -1.21 -0.01 0.00 -0.04 0.00 0.00 33.50 32.72 2rgu n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2rgu s THR 675 N -0.71 4.95 0.44 0.52 -4.23 -1.26 -4.16 115.64 111.18 2rgu s THR 675 Ca 0.10 -0.76 0.13 0.00 -1.18 0.00 0.00 61.69 59.98 2rgu s THR 675 Cb 0.08 -3.77 0.20 0.00 1.34 0.00 0.00 72.50 70.36 2rgu s THR 675 CO 0.01 -0.39 2.01 -0.65 -0.54 0.00 0.00 174.62 175.06 2rgu h PRO 676 N 0.92 0.12 -0.00 3.99 0.11 -1.95 0.10 132.00 135.29 2rgu h PRO 676 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2rgu h PRO 676 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2rgu h PRO 676 CO 0.60 0.21 -0.04 -0.85 -0.21 0.00 0.00 178.00 177.71 2rgu n GLU 677 N -4.37 0.37 0.00 1.05 0.00 -1.26 -4.75 120.64 111.68 2rgu n GLU 677 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.10 2rgu n GLU 677 Cb 0.20 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.14 2rgu n GLU 677 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2rgu n ASP 678 N -1.28 0.00 -0.13 -1.84 -0.08 -0.53 -5.04 116.55 107.66 2rgu n ASP 678 Ca 0.12 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.50 2rgu n ASP 678 Cb 0.27 0.00 0.15 0.00 2.34 0.00 0.00 41.12 43.88 2rgu n ASP 678 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2rgu n ASN 679 N 0.00 2.46 -0.20 1.67 4.05 -0.66 -4.77 115.26 117.81 2rgu n ASN 679 Ca 0.00 -3.06 0.24 0.00 0.45 0.00 0.00 54.58 52.22 2rgu n ASN 679 Cb 0.00 -0.43 0.63 0.00 1.23 0.00 0.00 39.78 41.22 2rgu n ASN 679 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 2rgu h LEU 680 N 0.14 0.17 -0.44 1.20 5.85 -1.09 -1.14 115.31 120.00 2rgu h LEU 680 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2rgu h LEU 680 Cb 1.02 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 2rgu h LEU 680 CO 0.02 0.06 0.29 0.44 -0.34 0.00 0.00 178.44 178.91 2rgu h ASP 681 N 0.17 0.50 1.56 1.25 3.32 -1.86 -2.42 116.42 118.94 2rgu h ASP 681 Ca 0.44 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.48 2rgu h ASP 681 Cb 1.46 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.89 2rgu h ASP 681 CO -0.08 0.36 0.00 -0.74 -1.72 0.00 0.00 179.24 177.06 2rgu h HIS 682 N 0.59 0.00 -0.24 4.55 2.76 -1.57 -2.60 115.15 118.64 2rgu h HIS 682 Ca 0.16 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.29 2rgu h HIS 682 Cb -0.07 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 2rgu h HIS 682 CO -0.05 0.00 -0.00 1.88 -1.30 0.00 0.00 177.93 178.46 2rgu h TYR 683 N 0.00 0.46 0.00 5.26 -1.99 -1.18 -2.84 116.97 116.68 2rgu h TYR 683 Ca 0.00 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.65 2rgu h TYR 683 Cb 0.78 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 39.39 2rgu h TYR 683 CO 0.00 0.59 0.00 0.00 -0.00 0.00 0.00 178.16 178.75 2rgu h ARG 684 N 0.19 0.00 -0.02 4.88 3.08 -1.34 -3.12 114.38 118.05 2rgu h ARG 684 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2rgu h ARG 684 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2rgu h ARG 684 CO 0.01 0.00 -0.13 -1.71 -1.07 0.00 0.00 179.97 177.08 2rgu n ASN 685 N -2.49 2.52 -0.62 7.04 5.15 -0.99 -4.39 115.26 121.48 2rgu n ASN 685 Ca 0.03 -1.78 0.05 0.00 -0.60 0.00 0.00 54.58 52.28 2rgu n ASN 685 Cb 0.33 0.12 0.19 0.00 -0.53 0.00 0.00 39.78 39.90 2rgu n ASN 685 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2rgu n SER 686 N 0.81 2.46 -4.83 1.20 3.41 -1.08 -5.04 113.62 110.54 2rgu n SER 686 Ca 0.13 -3.48 -0.33 0.00 -0.26 0.00 0.00 58.87 54.93 2rgu n SER 686 Cb 0.53 -0.53 -0.07 0.00 -0.26 0.00 0.00 64.21 63.89 2rgu n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2rgu s THR 687 N -3.06 4.51 0.25 6.66 -4.23 -1.26 -4.80 115.64 113.72 2rgu s THR 687 Ca 0.38 1.26 0.00 0.00 -1.18 0.00 0.00 61.69 62.16 2rgu s THR 687 Cb 0.35 -3.63 0.04 0.00 1.34 0.00 0.00 72.50 70.60 2rgu s THR 687 CO 0.00 -0.22 1.67 0.58 -0.54 0.00 0.00 174.62 176.11 2rgu h VAL 688 N 1.99 1.28 -0.15 2.29 2.07 -1.01 -3.27 116.25 119.45 2rgu h VAL 688 Ca -0.48 -1.36 0.05 0.00 0.82 0.00 0.00 66.70 65.72 2rgu h VAL 688 Cb 1.18 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 32.28 2rgu h VAL 688 CO 0.63 0.43 -0.18 0.24 0.02 0.00 0.00 177.57 178.72 2rgu h MET 689 N 0.47 -0.21 0.00 1.57 2.86 -1.92 -2.58 114.93 115.12 2rgu h MET 689 Ca 0.06 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2rgu h MET 689 Cb 0.74 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.45 2rgu h MET 689 CO 0.06 -0.14 0.11 -1.13 1.06 0.00 0.00 176.91 176.87 2rgu n SER 690 N -5.32 0.35 -0.95 1.22 3.41 -1.23 -0.64 113.62 110.46 2rgu n SER 690 Ca -0.02 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.32 2rgu n SER 690 Cb 0.24 -0.63 0.15 0.00 -0.26 0.00 0.00 64.21 63.71 2rgu n SER 690 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2rgu n ARG 691 N -1.98 2.31 -0.18 4.33 1.74 -0.97 -4.72 116.66 117.17 2rgu n ARG 691 Ca -0.01 -1.91 -0.05 0.00 -0.77 0.00 0.00 57.85 55.11 2rgu n ARG 691 Cb 0.13 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.06 2rgu n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2rgu n ALA 692 N 1.28 -0.28 -0.30 7.54 0.00 0.19 -0.97 120.51 127.97 2rgu n ALA 692 Ca 0.15 0.37 0.22 0.00 0.00 0.00 0.00 53.44 54.18 2rgu n ALA 692 Cb 0.58 0.07 0.41 0.00 0.00 0.00 0.00 19.45 20.51 2rgu n ALA 692 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2rgu n GLU 693 N -4.06 -0.06 0.21 0.00 -0.58 -1.26 0.40 120.64 115.28 2rgu n GLU 693 Ca 0.01 1.31 0.15 0.00 -0.42 0.00 0.00 57.16 58.21 2rgu n GLU 693 Cb 0.11 -2.22 0.71 0.00 -0.57 0.00 0.00 31.44 29.48 2rgu n GLU 693 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 2rgu h ASN 694 N 0.00 0.00 0.48 1.62 2.35 -1.35 -2.61 115.58 116.06 2rgu h ASN 694 Ca 0.67 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.42 2rgu h ASN 694 Cb 1.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.98 2rgu h ASN 694 CO -0.78 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 175.49 2rgu n PHE 695 N -2.55 0.10 0.29 1.19 3.01 0.16 -2.52 117.46 117.15 2rgu n PHE 695 Ca -0.00 0.04 0.17 0.00 1.01 0.00 0.00 57.45 58.66 2rgu n PHE 695 Cb 0.14 -0.57 0.88 0.00 -0.01 0.00 0.00 39.48 39.92 2rgu n PHE 695 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 2rgu h LYS 696 N 0.00 0.00 -0.17 -1.08 2.10 -1.64 -2.21 116.57 113.57 2rgu h LYS 696 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2rgu h LYS 696 Cb 0.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 2rgu h LYS 696 CO 0.00 0.05 0.00 1.04 -2.00 0.00 0.00 179.45 178.54 2rgu n GLN 697 N -3.39 1.70 -3.95 0.07 6.02 -1.05 -4.93 117.38 111.85 2rgu n GLN 697 Ca -0.02 -1.05 -0.09 0.00 -0.01 0.00 0.00 57.00 55.83 2rgu n GLN 697 Cb 0.19 -1.38 -0.09 0.00 1.02 0.00 0.00 30.24 29.97 2rgu n GLN 697 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2rgu s VAL 698 N -1.79 0.14 -0.21 5.09 -7.23 -0.83 -4.91 120.40 110.67 2rgu s VAL 698 Ca 0.32 -1.17 -0.19 0.00 -1.81 0.00 0.00 61.98 59.13 2rgu s VAL 698 Cb 0.17 -0.93 -0.03 0.00 0.56 0.00 0.00 36.38 36.14 2rgu s VAL 698 CO 0.25 -0.64 0.53 -1.61 -0.31 0.00 0.00 175.10 173.32 2rgu s GLU 699 N -2.72 4.18 0.01 4.82 2.02 -0.76 -4.97 118.70 121.27 2rgu s GLU 699 Ca -0.04 0.42 0.07 0.00 0.02 0.00 0.00 54.97 55.44 2rgu s GLU 699 Cb -0.01 -3.57 -0.02 0.00 0.10 0.00 0.00 34.13 30.63 2rgu s GLU 699 CO -0.05 -0.18 -0.22 -0.47 0.02 0.00 0.00 175.26 174.36 2rgu s TYR 700 N 1.74 1.94 -0.16 1.61 5.04 -1.26 -2.08 117.35 124.17 2rgu s TYR 700 Ca 0.24 -0.37 0.00 0.00 -2.44 0.00 0.00 57.07 54.50 2rgu s TYR 700 Cb -0.15 -1.21 0.03 0.00 0.35 0.00 0.00 41.96 40.98 2rgu s TYR 700 CO 0.10 0.02 -0.11 -1.17 -1.34 0.00 0.00 175.55 173.05 2rgu s LEU 701 N -0.79 1.79 -0.17 6.97 2.96 -0.79 -0.34 118.68 128.31 2rgu s LEU 701 Ca 0.08 -0.60 -0.03 0.00 -0.22 0.00 0.00 54.13 53.36 2rgu s LEU 701 Cb -0.09 -1.12 -0.02 0.00 0.50 0.00 0.00 46.19 45.46 2rgu s LEU 701 CO 0.00 -0.11 -0.06 -0.22 -1.32 0.00 0.00 176.35 174.65 2rgu s LEU 702 N 1.51 3.02 0.01 -0.68 2.96 -0.97 -1.29 118.68 123.24 2rgu s LEU 702 Ca 0.03 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 53.72 2rgu s LEU 702 Cb -0.14 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 2rgu s LEU 702 CO -0.09 0.11 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.29 2rgu s ILE 703 N 0.72 1.02 -0.27 6.68 1.01 -0.59 -1.97 121.20 127.79 2rgu s ILE 703 Ca -0.03 -0.68 -0.25 0.00 0.00 0.00 0.00 60.65 59.69 2rgu s ILE 703 Cb -0.15 -0.88 0.09 0.00 0.01 0.00 0.00 42.46 41.53 2rgu s ILE 703 CO 0.02 0.19 0.81 -2.28 0.00 0.00 0.00 174.94 173.68 2rgu s HIS 704 N -0.48 -0.70 -0.09 3.97 2.46 -1.04 -0.34 115.29 119.07 2rgu s HIS 704 Ca 0.04 1.70 -0.26 0.00 0.47 0.00 0.00 55.06 57.00 2rgu s HIS 704 Cb -0.06 0.30 -0.03 0.00 -0.13 0.00 0.00 32.58 32.67 2rgu s HIS 704 CO 0.00 -0.34 0.85 0.20 -2.47 0.00 0.00 174.74 172.98 2rgu s GLY 705 N 0.36 2.51 0.59 1.59 0.00 -1.26 -1.50 107.32 109.60 2rgu s GLY 705 Ca 0.01 0.23 0.35 0.00 0.00 0.00 0.00 44.72 45.31 2rgu s GLY 705 CO -0.02 1.54 2.18 -0.91 0.00 0.00 0.00 173.10 175.90 2rgu h THR 706 N 4.94 0.24 -0.72 0.90 1.35 -1.40 -2.28 112.91 115.94 2rgu h THR 706 Ca -0.36 -0.29 -0.20 0.00 -0.55 0.00 0.00 66.41 65.01 2rgu h THR 706 Cb 1.18 1.22 -0.12 0.00 -1.73 0.00 0.00 68.15 68.70 2rgu h THR 706 CO 0.79 0.04 0.25 0.00 -0.25 0.00 0.00 175.52 176.35 2rgu n ALA 707 N -2.17 4.53 -2.13 6.62 0.00 -0.77 -4.70 120.51 121.88 2rgu n ALA 707 Ca -0.02 -2.35 -0.43 0.00 0.00 0.00 0.00 53.44 50.64 2rgu n ALA 707 Cb 0.18 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.38 2rgu n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2rgu s ASP 708 N -1.08 6.18 0.29 0.00 -1.08 -0.86 -4.37 116.67 115.75 2rgu s ASP 708 Ca 0.55 1.31 0.23 0.00 -0.52 0.00 0.00 52.55 54.11 2rgu s ASP 708 Cb 0.44 -2.53 0.14 0.00 -1.46 0.00 0.00 42.92 39.50 2rgu s ASP 708 CO 0.13 -1.47 1.26 -2.24 0.52 0.00 0.00 175.17 173.37 2rgu h ASP 709 N 11.55 0.00 0.00 -0.34 2.03 -1.91 -3.32 116.42 124.43 2rgu h ASP 709 Ca -0.32 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.97 2rgu h ASP 709 Cb 1.15 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.65 2rgu h ASP 709 CO 1.03 0.00 0.00 -3.20 -1.03 0.00 0.00 179.24 176.04 2rgu n ASN 710 N -2.82 0.00 -4.33 4.15 4.05 -1.26 -4.65 115.26 110.39 2rgu n ASN 710 Ca 0.02 0.22 -0.46 0.00 0.45 0.00 0.00 54.58 54.81 2rgu n ASN 710 Cb 0.54 -0.28 -0.04 0.00 1.23 0.00 0.00 39.78 41.23 2rgu n ASN 710 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2rgu s VAL 711 N -0.57 5.25 0.26 3.44 1.01 -1.26 -4.80 120.40 123.73 2rgu s VAL 711 Ca 0.00 -1.72 -0.30 0.00 0.00 0.00 0.00 61.98 59.96 2rgu s VAL 711 Cb 0.00 -4.42 -0.14 0.00 0.00 0.00 0.00 36.38 31.82 2rgu s VAL 711 CO 0.00 -0.98 1.28 1.41 0.00 0.00 0.00 175.10 176.80 2rgu n HIS 712 N 5.09 1.91 -0.46 5.22 8.25 -1.25 -4.71 115.22 129.26 2rgu n HIS 712 Ca -0.03 0.54 0.39 0.00 -0.26 0.00 0.00 57.72 58.36 2rgu n HIS 712 Cb 0.43 -2.39 0.72 0.00 1.12 0.00 0.00 29.99 29.87 2rgu n HIS 712 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 2rgu h PHE 713 N 3.35 0.20 -0.90 4.41 3.57 -1.79 0.51 116.94 126.29 2rgu h PHE 713 Ca -0.44 0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.31 2rgu h PHE 713 Cb 1.30 -0.05 -0.16 0.00 2.79 0.00 0.00 35.95 39.83 2rgu h PHE 713 CO 0.53 -0.04 0.11 0.37 -2.23 0.00 0.00 178.31 177.06 2rgu h GLN 714 N 0.07 0.09 -0.89 1.11 4.15 -1.94 -0.51 115.11 117.19 2rgu h GLN 714 Ca 0.73 -0.01 0.10 0.00 0.77 0.00 0.00 58.65 60.25 2rgu h GLN 714 Cb 2.68 -0.02 -0.08 0.00 0.21 0.00 0.00 27.48 30.27 2rgu h GLN 714 CO -0.14 0.06 0.53 1.96 -1.93 0.00 0.00 178.83 179.31 2rgu h GLN 715 N 0.09 0.84 0.06 1.69 4.20 -1.21 -0.44 115.11 120.35 2rgu h GLN 715 Ca 0.56 -0.05 -0.25 0.00 0.06 0.00 0.00 58.65 58.97 2rgu h GLN 715 Cb 1.13 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.72 2rgu h GLN 715 CO -0.77 0.56 -1.07 0.77 -0.67 0.00 0.00 178.83 177.64 2rgu h SER 716 N 0.87 0.48 -0.81 1.46 0.02 -1.31 -3.04 113.55 111.22 2rgu h SER 716 Ca 0.43 -0.43 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 2rgu h SER 716 Cb 0.40 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 2rgu h SER 716 CO -0.25 1.27 0.53 0.00 -1.14 0.00 0.00 176.83 177.24 2rgu h ALA 717 N 0.68 1.65 -0.04 3.77 0.00 -0.46 0.83 119.26 125.69 2rgu h ALA 717 Ca -0.10 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 2rgu h ALA 717 Cb 1.75 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 2rgu h ALA 717 CO 0.18 0.22 -0.69 1.96 0.00 0.00 0.00 179.25 180.92 2rgu h GLN 718 N 0.85 0.18 0.13 0.00 1.08 -1.13 -2.36 115.11 113.86 2rgu h GLN 718 Ca 0.35 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 2rgu h GLN 718 Cb 0.28 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 2rgu h GLN 718 CO -0.13 0.80 -0.06 0.82 -0.95 0.00 0.00 178.83 179.31 2rgu h ILE 719 N 0.13 1.01 -0.96 2.54 2.04 -0.80 -1.81 117.51 119.65 2rgu h ILE 719 Ca -0.02 -0.59 0.08 0.00 1.00 0.00 0.00 64.86 65.34 2rgu h ILE 719 Cb 1.23 1.37 -0.07 0.00 -0.74 0.00 0.00 36.82 38.62 2rgu h ILE 719 CO 0.10 0.14 0.62 0.77 0.00 0.00 0.00 178.15 179.78 2rgu h SER 720 N -0.45 0.94 -0.63 1.72 4.64 -1.10 -1.20 113.55 117.47 2rgu h SER 720 Ca -0.02 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2rgu h SER 720 Cb 0.36 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 2rgu h SER 720 CO 0.03 0.58 0.17 0.50 -0.87 0.00 0.00 176.83 177.23 2rgu h LYS 721 N 1.05 1.00 -0.44 4.77 3.64 -1.28 -0.48 116.57 124.83 2rgu h LYS 721 Ca 0.43 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2rgu h LYS 721 Cb 0.28 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 2rgu h LYS 721 CO -0.19 0.90 0.26 0.00 -2.27 0.00 0.00 179.45 178.15 2rgu h ALA 722 N 1.06 0.57 -0.29 5.00 0.00 -0.37 0.45 119.26 125.68 2rgu h ALA 722 Ca 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2rgu h ALA 722 Cb 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2rgu h ALA 722 CO -0.00 0.07 0.14 -0.07 0.00 0.00 0.00 179.25 179.39 2rgu h LEU 723 N 0.58 0.37 -0.57 0.00 3.38 -0.98 -1.22 115.31 116.88 2rgu h LEU 723 Ca 0.16 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2rgu h LEU 723 Cb 0.02 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2rgu h LEU 723 CO -0.03 0.38 0.26 0.58 0.09 0.00 0.00 178.44 179.73 2rgu h VAL 724 N 0.33 1.21 0.00 1.22 2.07 -0.86 0.11 116.25 120.34 2rgu h VAL 724 Ca 0.10 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 2rgu h VAL 724 Cb 0.11 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2rgu h VAL 724 CO -0.01 0.24 -0.13 0.44 0.02 0.00 0.00 177.57 178.14 2rgu h ASP 725 N 0.77 0.00 -0.01 0.57 3.32 0.17 -2.40 116.42 118.83 2rgu h ASP 725 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2rgu h ASP 725 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2rgu h ASP 725 CO -0.02 0.13 -0.21 0.55 -1.72 0.00 0.00 179.24 177.97 2rgu n VAL 726 N -4.05 0.00 -2.44 -1.35 3.14 -0.48 -5.00 118.33 108.15 2rgu n VAL 726 Ca -0.02 -0.38 -0.01 0.00 -2.96 0.00 0.00 64.34 60.97 2rgu n VAL 726 Cb 0.21 1.32 0.00 0.00 -1.06 0.00 0.00 33.84 34.31 2rgu n VAL 726 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2rgu n GLY 727 N 1.37 0.74 3.42 7.55 0.00 0.00 -4.93 105.19 113.34 2rgu n GLY 727 Ca 0.12 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 2rgu n GLY 727 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rgu s VAL 728 N -2.79 3.60 0.01 1.61 1.01 0.19 -5.01 120.40 119.01 2rgu s VAL 728 Ca 0.03 -0.45 -0.21 0.00 0.00 0.00 0.00 61.98 61.35 2rgu s VAL 728 Cb -0.01 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 2rgu s VAL 728 CO 0.03 0.47 0.62 -0.62 0.00 0.00 0.00 175.10 175.61 2rgu s ASP 729 N 0.70 7.02 0.24 3.32 2.15 -1.26 -4.40 116.67 124.43 2rgu s ASP 729 Ca -0.03 1.22 -0.05 0.00 0.43 0.00 0.00 52.55 54.11 2rgu s ASP 729 Cb -0.15 -2.38 -0.02 0.00 -0.30 0.00 0.00 42.92 40.07 2rgu s ASP 729 CO 0.02 0.10 0.30 0.72 -0.17 0.00 0.00 175.17 176.14 2rgu s PHE 730 N -0.23 0.86 0.05 -5.34 -0.71 -1.26 -4.74 117.98 106.61 2rgu s PHE 730 Ca 0.32 -1.12 -0.02 0.00 -1.04 0.00 0.00 56.93 55.06 2rgu s PHE 730 Cb -0.19 -0.23 -0.04 0.00 -1.21 0.00 0.00 43.02 41.35 2rgu s PHE 730 CO 0.18 -0.83 0.24 -0.65 -1.34 0.00 0.00 175.22 172.82 2rgu s GLN 731 N -3.98 3.49 0.22 1.99 -0.21 0.54 -5.01 119.66 116.70 2rgu s GLN 731 Ca 0.32 -0.31 0.01 0.00 0.02 0.00 0.00 55.36 55.40 2rgu s GLN 731 Cb 0.03 -3.03 -0.05 0.00 1.00 0.00 0.00 33.01 30.97 2rgu s GLN 731 CO 0.12 0.61 0.09 0.00 -2.12 0.00 0.00 175.29 173.99 2rgu s ALA 732 N -1.47 1.46 -0.30 6.09 0.00 -1.26 -2.29 121.76 124.00 2rgu s ALA 732 Ca 0.33 -1.76 -0.17 0.00 0.00 0.00 0.00 51.96 50.36 2rgu s ALA 732 Cb -0.13 1.06 0.18 0.00 0.00 0.00 0.00 23.12 24.23 2rgu s ALA 732 CO 0.24 -0.48 1.20 1.41 0.00 0.00 0.00 175.76 178.13 2rgu s MET 733 N -4.05 0.09 0.40 0.00 0.00 -0.83 -4.92 119.30 109.99 2rgu s MET 733 Ca 0.35 0.20 0.08 0.00 0.00 0.00 0.00 55.69 56.32 2rgu s MET 733 Cb 0.07 0.12 -0.01 0.00 0.00 0.00 0.00 34.83 35.02 2rgu s MET 733 CO 0.11 -0.06 0.46 1.67 0.00 0.00 0.00 175.02 177.20 2rgu s TRP 734 N 2.48 2.83 -0.27 4.11 -2.14 -1.26 -2.49 118.94 122.20 2rgu s TRP 734 Ca -0.03 -0.39 -0.02 0.00 2.66 0.00 0.00 56.10 58.32 2rgu s TRP 734 Cb -0.05 -2.19 0.09 0.00 -3.10 0.00 0.00 33.47 28.22 2rgu s TRP 734 CO -0.13 -0.20 0.10 0.71 -2.66 0.00 0.00 176.95 174.77 2rgu s TYR 735 N -2.36 1.04 0.19 1.66 2.02 -0.56 -4.87 117.35 114.47 2rgu s TYR 735 Ca 0.50 -1.22 -0.32 0.00 -0.37 0.00 0.00 57.07 55.66 2rgu s TYR 735 Cb -0.07 -1.26 -0.11 0.00 -0.40 0.00 0.00 41.96 40.11 2rgu s TYR 735 CO 0.30 -0.79 1.72 -0.08 -1.57 0.00 0.00 175.55 175.13 2rgu s THR 736 N 1.85 2.18 -0.83 -0.71 -1.32 -1.26 -1.72 115.64 113.82 2rgu s THR 736 Ca 0.07 0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.62 2rgu s THR 736 Cb -0.17 -3.04 0.00 0.00 -1.51 0.00 0.00 72.50 67.78 2rgu s THR 736 CO -0.25 0.00 0.00 0.47 -2.21 0.00 0.00 174.62 172.63 2rgu n ASP 737 N 4.28 -4.82 -4.90 8.08 8.00 -1.26 -4.89 116.55 121.04 2rgu n ASP 737 Ca 0.16 0.19 -0.32 0.00 0.71 0.00 0.00 54.79 55.53 2rgu n ASP 737 Cb 0.36 -3.01 -0.05 0.00 -0.02 0.00 0.00 41.12 38.40 2rgu n ASP 737 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2rgu s GLU 738 N -2.37 3.55 0.00 -1.24 0.41 -1.11 -4.71 118.70 113.24 2rgu s GLU 738 Ca 0.00 -0.19 0.00 0.00 -0.41 0.00 0.00 54.97 54.37 2rgu s GLU 738 Cb 0.00 -2.97 0.00 0.00 -1.78 0.00 0.00 34.13 29.38 2rgu s GLU 738 CO 0.00 0.56 0.00 -0.40 -0.49 0.00 0.00 175.26 174.93 2rgu n ASP 739 N 0.45 0.00 -0.34 -0.19 5.68 -1.26 -1.86 116.55 119.04 2rgu n ASP 739 Ca -0.06 -0.54 0.28 0.00 -0.50 0.00 0.00 54.79 53.97 2rgu n ASP 739 Cb 0.52 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 41.09 2rgu n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 2rgu h HIS 740 N -0.02 0.47 -0.00 2.11 -0.00 -1.90 0.01 115.15 115.82 2rgu h HIS 740 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 2rgu h HIS 740 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.28 2rgu h HIS 740 CO 0.00 0.01 -0.34 0.41 -0.00 0.00 0.00 177.93 178.01 2rgu n GLY 741 N -1.55 -1.17 4.18 5.26 0.00 -1.26 -4.92 105.19 105.72 2rgu n GLY 741 Ca 0.27 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2rgu n GLY 741 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2rgu n ILE 742 N -1.32 -0.82 1.23 -0.61 5.41 -0.01 -4.82 119.36 118.41 2rgu n ILE 742 Ca 0.08 -0.41 0.13 0.00 1.00 0.00 0.00 62.75 63.55 2rgu n ILE 742 Cb 0.33 -0.87 0.29 0.00 -0.71 0.00 0.00 39.64 38.68 2rgu n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2rgu n ALA 743 N -4.23 2.59 -1.75 -1.39 0.00 -1.26 -3.54 120.51 110.93 2rgu n ALA 743 Ca -0.26 -0.57 -0.37 0.00 0.00 0.00 0.00 53.44 52.24 2rgu n ALA 743 Cb 0.62 -0.98 0.04 0.00 0.00 0.00 0.00 19.45 19.13 2rgu n ALA 743 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2rgu s SER 744 N -2.05 5.19 0.23 0.00 1.04 -1.26 -4.76 113.70 112.09 2rgu s SER 744 Ca 0.32 2.58 -0.07 0.00 0.48 0.00 0.00 55.95 59.25 2rgu s SER 744 Cb 0.20 -2.62 0.39 0.00 0.10 0.00 0.00 66.02 64.09 2rgu s SER 744 CO 0.34 -1.61 1.68 -1.28 0.98 0.00 0.00 173.24 173.36 2rgu h SER 745 N 1.15 -0.06 -0.13 7.02 0.87 -2.00 -0.63 113.55 119.77 2rgu h SER 745 Ca -0.51 0.14 -0.22 0.00 -1.23 0.00 0.00 61.79 59.98 2rgu h SER 745 Cb 1.30 0.21 0.01 0.00 -0.44 0.00 0.00 62.40 63.48 2rgu h SER 745 CO 0.56 -0.05 -0.76 0.71 -0.53 0.00 0.00 176.83 176.76 2rgu h THR 746 N 0.23 1.29 -0.11 2.23 1.35 -1.97 -3.00 112.91 112.93 2rgu h THR 746 Ca 0.37 -1.97 -0.00 0.00 -0.55 0.00 0.00 66.41 64.26 2rgu h THR 746 Cb 0.61 2.05 -0.00 0.00 -1.73 0.00 0.00 68.15 69.07 2rgu h THR 746 CO -0.49 0.62 0.05 0.00 -0.25 0.00 0.00 175.52 175.45 2rgu h ALA 747 N 0.52 0.14 -0.69 6.62 0.00 -1.81 -1.63 119.26 122.41 2rgu h ALA 747 Ca -0.06 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.89 2rgu h ALA 747 Cb 1.40 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.06 2rgu h ALA 747 CO 0.16 -0.30 0.29 1.25 0.00 0.00 0.00 179.25 180.65 2rgu h HIS 748 N 0.05 0.51 -0.46 0.00 2.76 -1.17 -0.87 115.15 115.98 2rgu h HIS 748 Ca 0.04 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.11 2rgu h HIS 748 Cb 0.12 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 2rgu h HIS 748 CO -0.03 0.13 -0.21 1.96 -1.30 0.00 0.00 177.93 178.48 2rgu h GLN 749 N 0.48 0.94 -0.64 5.26 4.20 -1.35 -3.05 115.11 120.95 2rgu h GLN 749 Ca 0.36 -0.39 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 2rgu h GLN 749 Cb 0.46 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 2rgu h GLN 749 CO -0.33 1.05 0.14 1.25 -0.67 0.00 0.00 178.83 180.28 2rgu h HIS 750 N 0.81 1.06 -0.09 2.96 2.76 -0.26 -2.55 115.15 119.85 2rgu h HIS 750 Ca 0.11 -0.12 -0.22 0.00 -2.20 0.00 0.00 60.37 57.93 2rgu h HIS 750 Cb 0.77 -0.30 0.01 0.00 1.55 0.00 0.00 27.41 29.43 2rgu h HIS 750 CO 0.05 0.88 -0.85 0.97 -1.30 0.00 0.00 177.93 177.68 2rgu h ILE 751 N 0.97 1.32 0.00 6.26 2.10 -1.20 -1.26 117.51 125.69 2rgu h ILE 751 Ca 0.20 -2.13 -0.05 0.00 1.08 0.00 0.00 64.86 63.97 2rgu h ILE 751 Cb 0.36 2.15 -0.01 0.00 -1.09 0.00 0.00 36.82 38.23 2rgu h ILE 751 CO 0.00 0.66 -0.22 1.88 -1.08 0.00 0.00 178.15 179.39 2rgu h TYR 752 N 0.41 0.00 0.02 2.19 0.05 -1.56 0.31 116.97 118.39 2rgu h TYR 752 Ca -0.07 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.71 2rgu h TYR 752 Cb 1.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.21 2rgu h TYR 752 CO 0.08 0.22 -0.01 1.15 -1.05 0.00 0.00 178.16 178.55 2rgu h THR 753 N 0.00 1.51 -0.44 -2.88 2.02 -1.40 -2.36 112.91 109.37 2rgu h THR 753 Ca -0.00 -1.79 0.08 0.00 0.77 0.00 0.00 66.41 65.47 2rgu h THR 753 Cb 0.93 2.69 -0.07 0.00 -1.74 0.00 0.00 68.15 69.96 2rgu h THR 753 CO 0.03 0.45 0.01 -0.74 0.37 0.00 0.00 175.52 175.64 2rgu h HIS 754 N -0.81 -0.01 -0.47 3.16 -0.00 -1.11 -0.70 115.15 115.22 2rgu h HIS 754 Ca -0.00 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.36 2rgu h HIS 754 Cb 0.75 0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 28.21 2rgu h HIS 754 CO 0.19 -0.08 0.12 0.52 -0.00 0.00 0.00 177.93 178.68 2rgu h MET 755 N 0.12 0.71 -0.51 5.26 2.07 -1.02 -2.43 114.93 119.13 2rgu h MET 755 Ca 0.22 -0.13 -0.05 0.00 -2.07 0.00 0.00 59.70 57.67 2rgu h MET 755 Cb 0.31 -0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 29.91 2rgu h MET 755 CO -0.35 0.64 0.13 0.77 1.07 0.00 0.00 176.91 179.17 2rgu h SER 756 N 0.69 0.77 -0.84 1.22 0.02 -0.60 -0.24 113.55 114.57 2rgu h SER 756 Ca 0.16 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 2rgu h SER 756 Cb 0.26 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 2rgu h SER 756 CO -0.00 0.80 0.43 0.45 -1.14 0.00 0.00 176.83 177.36 2rgu h HIS 757 N 0.70 1.19 0.20 3.45 3.86 -1.11 0.71 115.15 124.15 2rgu h HIS 757 Ca 0.16 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 2rgu h HIS 757 Cb 0.33 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.43 2rgu h HIS 757 CO 0.02 0.85 -0.10 0.35 0.86 0.00 0.00 177.93 179.91 2rgu h PHE 758 N 1.18 -0.25 -0.61 2.45 3.04 -0.93 0.27 116.94 122.09 2rgu h PHE 758 Ca 0.29 -0.01 -0.09 0.00 3.98 0.00 0.00 57.97 62.14 2rgu h PHE 758 Cb 0.09 0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.66 2rgu h PHE 758 CO 0.01 -0.11 0.02 0.82 -2.02 0.00 0.00 178.31 177.04 2rgu h ILE 759 N -0.33 1.26 -0.79 1.41 1.08 -0.93 0.12 117.51 119.33 2rgu h ILE 759 Ca -0.03 -1.12 -0.00 0.00 -0.39 0.00 0.00 64.86 63.32 2rgu h ILE 759 Cb 0.26 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 34.73 2rgu h ILE 759 CO 0.05 0.41 0.49 0.11 -0.69 0.00 0.00 178.15 178.51 2rgu h LYS 760 N 0.97 1.07 0.00 2.37 1.57 -0.69 0.18 116.57 122.04 2rgu h LYS 760 Ca 0.18 -0.09 -0.18 0.00 -1.87 0.00 0.00 60.65 58.69 2rgu h LYS 760 Cb 0.52 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 2rgu h LYS 760 CO 0.03 0.74 -0.84 -0.56 -0.57 0.00 0.00 179.45 178.25 2rgu h GLN 761 N 1.08 0.00 -0.16 3.15 -0.00 -0.72 0.27 115.11 118.73 2rgu h GLN 761 Ca 0.29 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.80 2rgu h GLN 761 Cb -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.41 2rgu h GLN 761 CO -0.06 0.84 -0.47 0.00 -0.00 0.00 0.00 178.83 179.14 2rgu n PHE 763 N -3.99 1.90 -2.16 0.00 3.72 0.01 -4.91 117.46 112.04 2rgu n PHE 763 Ca -0.02 -0.76 -0.08 0.00 -0.05 0.00 0.00 57.45 56.53 2rgu n PHE 763 Cb 0.54 -0.51 -0.01 0.00 -0.94 0.00 0.00 39.48 38.56 2rgu n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2rgu n SER 764 N 0.33 -2.75 -4.68 4.37 7.64 -1.05 -4.87 113.62 112.61 2rgu n SER 764 Ca 0.28 0.27 -0.42 0.00 1.01 0.00 0.00 58.87 60.00 2rgu n SER 764 Cb 1.13 -2.47 -0.03 0.00 -1.01 0.00 0.00 64.21 61.83 2rgu n SER 764 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2rgu s LEU 765 N -4.83 4.25 0.00 -3.43 1.43 0.91 -5.02 118.68 111.99 2rgu s LEU 765 Ca 0.00 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.91 2rgu s LEU 765 Cb 0.00 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.67 2rgu s LEU 765 CO 0.00 -0.67 0.04 -2.65 0.23 0.00 0.00 176.35 173.31