#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rrl s GLY 9 N 0.00 -0.10 -0.11 2.89 0.00 -1.26 -4.53 107.32 104.20 1rrl s GLY 9 Ca 0.00 0.49 -0.03 0.00 0.00 0.00 0.00 44.72 45.19 1rrl s GLY 9 CO 0.00 0.50 -0.01 -1.58 0.00 0.00 0.00 173.10 172.02 1rrl s HIS 10 N 0.30 3.13 -0.32 1.90 2.46 -0.96 -4.94 115.29 116.86 1rrl s HIS 10 Ca -0.02 0.07 -0.29 0.00 0.47 0.00 0.00 55.06 55.29 1rrl s HIS 10 Cb -0.03 -1.85 -0.00 0.00 -0.13 0.00 0.00 32.58 30.57 1rrl s HIS 10 CO -0.01 0.32 1.38 0.21 -2.47 0.00 0.00 174.74 174.18 1rrl s LYS 11 N -0.50 3.80 0.16 2.88 2.47 -1.26 -3.30 119.74 124.00 1rrl s LYS 11 Ca 0.09 1.23 -0.31 0.00 -1.56 0.00 0.00 55.97 55.41 1rrl s LYS 11 Cb -0.12 -3.94 -0.09 0.00 -1.46 0.00 0.00 37.83 32.21 1rrl s LYS 11 CO 0.02 -1.27 1.45 0.42 0.16 0.00 0.00 175.35 176.12 1rrl s ILE 12 N 4.81 2.96 -0.13 5.43 1.01 -0.59 -4.85 121.20 129.84 1rrl s ILE 12 Ca 0.60 0.72 -0.23 0.00 0.00 0.00 0.00 60.65 61.74 1rrl s ILE 12 Cb -0.17 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 1rrl s ILE 12 CO 0.27 0.07 0.70 -0.54 0.00 0.00 0.00 174.94 175.43 1rrl s LYS 13 N 0.74 4.33 -0.07 2.79 1.02 0.55 -0.69 119.74 128.42 1rrl s LYS 13 Ca 0.65 0.81 0.05 0.00 0.02 0.00 0.00 55.97 57.49 1rrl s LYS 13 Cb -0.40 -3.52 -0.00 0.00 -0.52 0.00 0.00 37.83 33.39 1rrl s LYS 13 CO 0.34 -0.12 -0.22 0.20 -0.92 0.00 0.00 175.35 174.63 1rrl s GLY 14 N 1.00 1.19 -0.10 -3.33 0.00 0.25 -1.32 107.32 105.01 1rrl s GLY 14 Ca 0.34 -0.90 0.03 0.00 0.00 0.00 0.00 44.72 44.19 1rrl s GLY 14 CO 0.14 -0.43 -0.21 -0.51 0.00 0.00 0.00 173.10 172.10 1rrl s THR 15 N 0.11 2.38 -0.11 0.90 -4.23 -0.42 -0.65 115.64 113.61 1rrl s THR 15 Ca -0.09 -0.91 -0.01 0.00 -1.18 0.00 0.00 61.69 59.49 1rrl s THR 15 Cb -0.15 -1.93 -0.03 0.00 1.34 0.00 0.00 72.50 71.73 1rrl s THR 15 CO 0.05 0.55 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.93 1rrl s VAL 16 N 0.24 3.68 -0.16 2.29 1.01 0.32 -1.51 120.40 126.27 1rrl s VAL 16 Ca -0.14 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.38 1rrl s VAL 16 Cb -0.17 -2.55 -0.00 0.00 0.00 0.00 0.00 36.38 33.66 1rrl s VAL 16 CO 0.07 0.55 -0.14 -0.69 0.00 0.00 0.00 175.10 174.89 1rrl s VAL 17 N -0.20 2.73 0.31 2.92 1.01 0.30 -0.54 120.40 126.92 1rrl s VAL 17 Ca 0.03 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1rrl s VAL 17 Cb -0.13 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 1rrl s VAL 17 CO 0.03 0.51 0.09 -1.48 0.00 0.00 0.00 175.10 174.24 1rrl s LEU 18 N 0.91 1.93 -0.14 3.92 0.05 -0.18 -0.30 118.68 124.86 1rrl s LEU 18 Ca -0.03 -1.43 0.00 0.00 0.05 0.00 0.00 54.13 52.72 1rrl s LEU 18 Cb -0.15 -0.17 0.02 0.00 -2.05 0.00 0.00 46.19 43.85 1rrl s LEU 18 CO -0.01 -0.71 -0.13 -0.04 -0.55 0.00 0.00 176.35 174.91 1rrl s MET 19 N -3.92 2.16 0.81 1.48 -1.94 0.15 0.05 119.30 118.09 1rrl s MET 19 Ca 0.35 -0.51 -0.13 0.00 -1.71 0.00 0.00 55.69 53.69 1rrl s MET 19 Cb 0.07 -2.00 0.08 0.00 2.01 0.00 0.00 34.83 35.00 1rrl s MET 19 CO 0.15 -0.23 1.20 1.03 -0.01 0.00 0.00 175.02 177.16 1rrl s ARG 20 N 1.48 1.65 0.24 2.03 0.52 -1.26 -1.80 118.95 121.81 1rrl s ARG 20 Ca 0.04 1.75 -0.06 0.00 -0.52 0.00 0.00 55.73 56.94 1rrl s ARG 20 Cb -0.13 -1.78 0.25 0.00 0.52 0.00 0.00 34.95 33.82 1rrl s ARG 20 CO -0.10 -2.21 1.86 -0.22 0.02 0.00 0.00 175.30 174.65 1rrl h LYS 21 N -0.90 1.19 0.00 3.54 3.64 -1.96 -2.73 116.57 119.34 1rrl h LYS 21 Ca -0.46 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 1rrl h LYS 21 Cb 1.29 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1rrl h LYS 21 CO 0.46 0.89 0.00 0.09 -2.27 0.00 0.00 179.45 178.62 1rrl n ASN 22 N -4.32 0.00 -0.00 4.20 3.02 -1.26 -1.51 115.26 115.38 1rrl n ASN 22 Ca 0.09 -0.34 0.02 0.00 -0.03 0.00 0.00 54.58 54.31 1rrl n ASN 22 Cb 0.11 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.26 1rrl n ASN 22 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1rrl n VAL 23 N -0.81 0.00 0.00 2.41 0.31 -1.03 -4.48 118.33 114.73 1rrl n VAL 23 Ca 0.04 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1rrl n VAL 23 Cb 0.02 0.94 0.00 0.00 -0.91 0.00 0.00 33.84 33.89 1rrl n VAL 23 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1rrl n LEU 24 N -1.15 0.00 -4.74 7.52 4.77 -0.68 -4.15 117.00 118.57 1rrl n LEU 24 Ca 0.01 -0.32 -0.39 0.00 -0.03 0.00 0.00 56.01 55.27 1rrl n LEU 24 Cb 0.07 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1rrl n LEU 24 CO 0.08 0.00 0.31 -0.62 -1.33 0.00 0.00 177.39 175.83 1rrl s ASP 25 N -0.67 6.93 0.37 -1.43 2.15 -0.57 -2.63 116.67 120.82 1rrl s ASP 25 Ca 0.00 1.11 0.10 0.00 0.43 0.00 0.00 52.55 54.20 1rrl s ASP 25 Cb 0.00 -2.37 0.86 0.00 -0.30 0.00 0.00 42.92 41.12 1rrl s ASP 25 CO 0.00 0.02 1.87 1.62 -0.17 0.00 0.00 175.17 178.51 1rrl h VAL 26 N 4.43 0.82 0.00 1.11 3.04 -1.91 -0.36 116.25 123.38 1rrl h VAL 26 Ca -0.43 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 1rrl h VAL 26 Cb 1.20 0.12 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 1rrl h VAL 26 CO 0.72 0.12 0.00 0.59 -1.01 0.00 0.00 177.57 177.99 1rrl n ASN 27 N -4.55 0.29 -0.03 3.17 3.02 -1.26 -1.37 115.26 114.52 1rrl n ASN 27 Ca 0.17 0.56 -0.04 0.00 -0.03 0.00 0.00 54.58 55.25 1rrl n ASN 27 Cb 0.49 -0.63 -0.05 0.00 -0.61 0.00 0.00 39.78 38.99 1rrl n ASN 27 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1rrl n SER 28 N -1.81 3.40 0.22 6.41 3.41 -0.73 -4.49 113.62 120.04 1rrl n SER 28 Ca 0.03 -0.01 0.15 0.00 -0.26 0.00 0.00 58.87 58.79 1rrl n SER 28 Cb 0.22 0.47 0.73 0.00 -0.26 0.00 0.00 64.21 65.37 1rrl n SER 28 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1rrl h VAL 29 N 0.00 0.00 -2.55 -3.33 2.07 -0.95 -3.41 116.25 108.08 1rrl h VAL 29 Ca -0.18 -0.17 -0.55 0.00 0.82 0.00 0.00 66.70 66.62 1rrl h VAL 29 Cb 1.37 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 1rrl h VAL 29 CO 0.00 0.00 1.28 -0.89 0.02 0.00 0.00 177.57 177.98 1rrl s THR 30 N -3.66 3.49 0.00 2.57 2.01 -0.47 -4.27 115.64 115.31 1rrl s THR 30 Ca -0.00 0.46 0.00 0.00 0.31 0.00 0.00 61.69 62.45 1rrl s THR 30 Cb 0.09 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1rrl s THR 30 CO 0.37 -0.57 0.00 -1.20 -0.69 0.00 0.00 174.62 172.53 1rrl n SER 31 N 10.80 0.00 -4.28 3.53 7.64 -1.26 -5.04 113.62 125.01 1rrl n SER 31 Ca 0.22 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.95 1rrl n SER 31 Cb 0.48 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.58 1rrl n SER 31 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1rrl s VAL 32 N 1.16 0.80 -0.07 0.44 1.01 -1.26 -4.28 120.40 118.20 1rrl s VAL 32 Ca 0.00 -2.00 0.04 0.00 0.00 0.00 0.00 61.98 60.02 1rrl s VAL 32 Cb 0.00 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 1rrl s VAL 32 CO 0.00 -0.38 -0.21 -0.83 0.00 0.00 0.00 175.10 173.68 1rrl s GLY 33 N -3.23 1.38 0.00 4.51 0.00 -1.26 -4.56 107.32 104.16 1rrl s GLY 33 Ca 0.27 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1rrl s GLY 33 CO 0.07 -0.56 0.00 0.61 0.00 0.00 0.00 173.10 173.22 1rrl n GLY 34 N 3.00 0.00 2.37 0.20 0.00 -1.26 -4.15 105.19 105.36 1rrl n GLY 34 Ca -0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 1rrl n GLY 34 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rrl n ILE 35 N -2.27 -1.17 -4.04 -0.61 5.41 -1.26 -5.15 119.36 110.27 1rrl n ILE 35 Ca 0.00 -3.48 -0.24 0.00 1.00 0.00 0.00 62.75 60.04 1rrl n ILE 35 Cb 0.20 -1.68 -0.04 0.00 -0.71 0.00 0.00 39.64 37.41 1rrl n ILE 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1rrl s ILE 36 N -0.05 4.81 0.00 1.39 1.10 -1.26 -4.16 121.20 123.03 1rrl s ILE 36 Ca 0.33 -1.07 0.00 0.00 -0.51 0.00 0.00 60.65 59.40 1rrl s ILE 36 Cb 0.05 -3.54 0.00 0.00 0.15 0.00 0.00 42.46 39.12 1rrl s ILE 36 CO -0.19 -0.22 0.00 0.61 -2.11 0.00 0.00 174.94 173.03 1rrl n GLY 37 N -0.85 1.24 0.00 1.50 0.00 -1.26 -5.06 105.19 100.76 1rrl n GLY 37 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1rrl n GLY 37 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rrl n GLN 38 N -1.06 0.00 0.00 1.61 3.00 -1.26 -4.76 117.38 114.91 1rrl n GLN 38 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1rrl n GLN 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1rrl n GLN 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1rrl n GLY 39 N 0.00 1.03 1.39 1.08 0.00 -1.26 -4.03 105.19 103.39 1rrl n GLY 39 Ca 0.00 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 1rrl n GLY 39 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1rrl n LEU 40 N 0.00 4.66 -1.83 0.99 -0.00 -1.26 -4.87 117.00 114.69 1rrl n LEU 40 Ca 0.00 -3.78 -0.01 0.00 -0.00 0.00 0.00 56.01 52.22 1rrl n LEU 40 Cb 0.00 -0.68 0.00 0.00 -0.00 0.00 0.00 43.42 42.74 1rrl n LEU 40 CO 0.00 1.25 -0.24 0.47 -0.00 0.00 0.00 177.39 178.87 1rrl n ASP 41 N -1.13 -3.17 0.00 1.96 9.92 -1.26 -4.49 116.55 118.39 1rrl n ASP 41 Ca 0.39 0.18 0.00 0.00 -0.53 0.00 0.00 54.79 54.83 1rrl n ASP 41 Cb 1.15 -0.77 0.00 0.00 -0.64 0.00 0.00 41.12 40.87 1rrl n ASP 41 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1rrl n LEU 42 N 0.83 0.00 -1.13 0.64 7.94 -1.26 -4.71 117.00 119.32 1rrl n LEU 42 Ca -0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 1rrl n LEU 42 Cb 0.25 0.00 0.16 0.00 0.53 0.00 0.00 43.42 44.36 1rrl n LEU 42 CO 0.01 0.00 0.54 1.33 -1.11 0.00 0.00 177.39 178.17 1rrl n VAL 43 N 0.00 1.24 0.00 1.96 0.24 -1.26 -3.92 118.33 116.59 1rrl n VAL 43 Ca 0.00 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 1rrl n VAL 43 Cb 0.00 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 31.93 1rrl n VAL 43 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rrl n GLY 44 N 0.22 0.25 0.00 7.63 0.00 -1.17 -4.35 105.19 107.78 1rrl n GLY 44 Ca 0.13 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1rrl n GLY 44 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rrl n SER 45 N 6.38 0.00 -4.67 1.61 7.64 -1.26 -4.54 113.62 118.78 1rrl n SER 45 Ca 0.00 0.00 -0.48 0.00 1.01 0.00 0.00 58.87 59.40 1rrl n SER 45 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1rrl n SER 45 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1rrl n THR 46 N 0.00 0.24 -1.73 0.44 -1.04 -1.26 -3.28 114.28 107.64 1rrl n THR 46 Ca 0.00 -0.04 -0.01 0.00 -2.04 0.00 0.00 64.05 61.96 1rrl n THR 46 Cb 0.00 -1.60 -0.00 0.00 -1.82 0.00 0.00 70.33 66.91 1rrl n THR 46 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1rrl n LEU 47 N 4.67 -3.02 -1.89 -4.42 7.94 -1.26 -4.88 117.00 114.14 1rrl n LEU 47 Ca 0.20 0.37 -0.02 0.00 -1.11 0.00 0.00 56.01 55.45 1rrl n LEU 47 Cb 0.28 -1.46 -0.03 0.00 0.53 0.00 0.00 43.42 42.73 1rrl n LEU 47 CO 0.68 -0.73 0.75 -0.67 -1.11 0.00 0.00 177.39 176.31 1rrl n ASP 48 N 0.24 2.98 0.13 1.96 4.64 -1.21 -3.94 116.55 121.36 1rrl n ASP 48 Ca -0.04 -1.88 0.00 0.00 -1.38 0.00 0.00 54.79 51.49 1rrl n ASP 48 Cb 0.07 -0.69 0.12 0.00 -1.04 0.00 0.00 41.12 39.57 1rrl n ASP 48 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1rrl h THR 49 N 1.77 1.24 0.00 5.18 1.35 -1.90 -3.34 112.91 117.20 1rrl h THR 49 Ca 0.04 -2.30 -0.01 0.00 -0.55 0.00 0.00 66.41 63.59 1rrl h THR 49 Cb 0.66 2.32 -0.00 0.00 -1.73 0.00 0.00 68.15 69.39 1rrl h THR 49 CO 0.12 0.61 -0.06 -0.07 -0.25 0.00 0.00 175.52 175.87 1rrl h LEU 50 N 0.00 0.00 -2.22 3.87 -0.00 -1.87 -0.18 115.31 114.92 1rrl h LEU 50 Ca -0.01 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.92 1rrl h LEU 50 Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.92 1rrl h LEU 50 CO 0.08 0.06 0.25 0.74 -0.00 0.00 0.00 178.44 179.57 1rrl h THR 51 N 0.00 0.29 0.00 0.22 2.02 -1.92 -1.21 112.91 112.31 1rrl h THR 51 Ca -0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 1rrl h THR 51 Cb 0.29 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1rrl h THR 51 CO 0.01 0.00 -0.39 0.00 0.37 0.00 0.00 175.52 175.51 1rrl h ALA 52 N 1.65 0.92 0.00 6.16 0.00 -1.31 -2.85 119.26 123.84 1rrl h ALA 52 Ca 0.08 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1rrl h ALA 52 Cb 0.58 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1rrl h ALA 52 CO -0.00 0.49 0.00 1.19 0.00 0.00 0.00 179.25 180.93 1rrl n PHE 53 N -3.45 0.00 -1.09 0.00 3.01 -0.46 -4.13 117.46 111.34 1rrl n PHE 53 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1rrl n PHE 53 Cb 0.55 -0.17 0.28 0.00 -0.01 0.00 0.00 39.48 40.13 1rrl n PHE 53 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1rrl n LEU 54 N -1.17 4.96 0.00 4.37 4.32 -1.07 -4.39 117.00 124.02 1rrl n LEU 54 Ca 0.16 -3.23 0.00 0.00 -0.02 0.00 0.00 56.01 52.93 1rrl n LEU 54 Cb 0.17 -0.65 0.00 0.00 -1.62 0.00 0.00 43.42 41.32 1rrl n LEU 54 CO 0.19 0.82 0.00 0.61 -1.22 0.00 0.00 177.39 177.79 1rrl n GLY 55 N -0.39 0.50 2.89 -0.72 0.00 -1.26 -4.83 105.19 101.37 1rrl n GLY 55 Ca 0.32 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.94 1rrl n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rrl n ARG 56 N 0.00 2.89 -0.12 1.61 1.74 -1.26 -4.70 116.66 116.81 1rrl n ARG 56 Ca 0.00 -3.62 -0.17 0.00 -0.77 0.00 0.00 57.85 53.29 1rrl n ARG 56 Cb 0.00 -2.28 -0.12 0.00 -1.02 0.00 0.00 32.46 29.05 1rrl n ARG 56 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1rrl n SER 57 N -0.52 1.94 -3.79 0.55 7.64 -1.26 -4.88 113.62 113.30 1rrl n SER 57 Ca 0.53 -0.13 -0.23 0.00 1.01 0.00 0.00 58.87 60.05 1rrl n SER 57 Cb 0.25 -0.33 -0.17 0.00 -1.01 0.00 0.00 64.21 62.95 1rrl n SER 57 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1rrl s VAL 58 N -2.50 0.46 0.15 0.44 1.01 -1.26 -0.37 120.40 118.33 1rrl s VAL 58 Ca -0.33 0.06 0.06 0.00 0.00 0.00 0.00 61.98 61.77 1rrl s VAL 58 Cb 0.09 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1rrl s VAL 58 CO 0.59 0.27 0.07 -0.94 0.00 0.00 0.00 175.10 175.09 1rrl s SER 59 N 1.88 5.21 -0.03 3.32 1.04 -0.03 -3.04 113.70 122.06 1rrl s SER 59 Ca 0.04 -0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.28 1rrl s SER 59 Cb -0.12 -1.27 0.00 0.00 0.10 0.00 0.00 66.02 64.73 1rrl s SER 59 CO -0.05 0.10 -0.08 -0.76 0.98 0.00 0.00 173.24 173.43 1rrl s LEU 60 N -2.88 1.75 -0.23 2.42 1.02 -0.12 -1.62 118.68 119.04 1rrl s LEU 60 Ca 0.29 -0.17 -0.02 0.00 0.02 0.00 0.00 54.13 54.25 1rrl s LEU 60 Cb -0.10 -0.50 0.07 0.00 0.02 0.00 0.00 46.19 45.68 1rrl s LEU 60 CO 0.21 0.05 0.04 -1.58 0.02 0.00 0.00 176.35 175.09 1rrl s GLN 61 N 0.25 0.77 0.75 1.70 0.74 -0.49 -2.01 119.66 121.37 1rrl s GLN 61 Ca -0.04 -0.63 -0.14 0.00 0.05 0.00 0.00 55.36 54.60 1rrl s GLN 61 Cb -0.09 -2.11 0.05 0.00 1.10 0.00 0.00 33.01 31.96 1rrl s GLN 61 CO 0.00 -0.72 1.18 -0.51 -0.55 0.00 0.00 175.29 174.70 1rrl s LEU 62 N 1.76 3.26 -0.07 3.68 2.01 -1.26 -1.67 118.68 126.38 1rrl s LEU 62 Ca 0.01 2.28 0.00 0.00 0.01 0.00 0.00 54.13 56.43 1rrl s LEU 62 Cb -0.17 -4.58 0.02 0.00 0.01 0.00 0.00 46.19 41.47 1rrl s LEU 62 CO -0.12 -2.29 -0.05 -0.63 1.01 0.00 0.00 176.35 174.27 1rrl s ILE 63 N -2.14 0.69 0.31 -0.59 1.01 0.11 -1.24 121.20 119.35 1rrl s ILE 63 Ca 0.72 -0.14 -0.28 0.00 0.00 0.00 0.00 60.65 60.95 1rrl s ILE 63 Cb -0.27 -0.74 -0.09 0.00 0.01 0.00 0.00 42.46 41.37 1rrl s ILE 63 CO 0.47 0.29 1.12 -0.55 0.00 0.00 0.00 174.94 176.27 1rrl s SER 64 N 1.38 7.09 0.06 3.58 0.15 0.50 -1.88 113.70 124.57 1rrl s SER 64 Ca -0.03 2.30 0.22 0.00 0.70 0.00 0.00 55.95 59.14 1rrl s SER 64 Cb -0.13 -2.62 -0.16 0.00 -1.71 0.00 0.00 66.02 61.39 1rrl s SER 64 CO -0.03 -0.27 0.78 0.00 1.20 0.00 0.00 173.24 174.91 1rrl n ALA 65 N 0.90 2.89 0.19 5.45 0.00 0.33 -4.06 120.51 126.20 1rrl n ALA 65 Ca 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 53.44 53.06 1rrl n ALA 65 Cb 0.45 -0.91 0.01 0.00 0.00 0.00 0.00 19.45 19.01 1rrl n ALA 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rrl n THR 66 N -2.32 0.00 -3.66 0.00 -2.24 -1.21 -4.32 114.28 100.53 1rrl n THR 66 Ca -0.01 -0.48 -0.18 0.00 -2.27 0.00 0.00 64.05 61.10 1rrl n THR 66 Cb 0.53 1.08 -0.16 0.00 -2.10 0.00 0.00 70.33 69.68 1rrl n THR 66 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1rrl s LYS 67 N -0.55 0.00 0.23 -0.78 3.01 -1.26 -4.93 119.74 115.47 1rrl s LYS 67 Ca 0.05 0.50 0.07 0.00 -1.01 0.00 0.00 55.97 55.57 1rrl s LYS 67 Cb 0.04 -0.37 -0.04 0.00 -1.01 0.00 0.00 37.83 36.45 1rrl s LYS 67 CO 0.07 -0.32 0.15 0.00 0.51 0.00 0.00 175.35 175.77 1rrl s ALA 68 N 2.26 3.52 1.00 5.17 0.00 -1.26 -0.19 121.76 132.26 1rrl s ALA 68 Ca 0.04 -1.40 -0.01 0.00 0.00 0.00 0.00 51.96 50.59 1rrl s ALA 68 Cb -0.12 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.77 1rrl s ALA 68 CO -0.05 0.31 0.09 -0.40 0.00 0.00 0.00 175.76 175.71 1rrl n ASP 69 N -0.93 -0.14 0.20 0.00 5.68 -0.21 -4.80 116.55 116.35 1rrl n ASP 69 Ca -0.08 -0.97 0.07 0.00 -0.50 0.00 0.00 54.79 53.31 1rrl n ASP 69 Cb 0.57 -0.07 0.42 0.00 -1.14 0.00 0.00 41.12 40.90 1rrl n ASP 69 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rrl h ALA 70 N -1.99 1.09 -0.34 2.12 0.00 -2.01 -2.85 119.26 115.27 1rrl h ALA 70 Ca -0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1rrl h ALA 70 Cb 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1rrl h ALA 70 CO 0.02 0.39 0.00 0.09 0.00 0.00 0.00 179.25 179.75 1rrl n ASN 71 N -3.60 1.98 0.00 0.00 3.02 -1.26 -4.91 115.26 110.49 1rrl n ASN 71 Ca -0.01 -2.04 0.00 0.00 -0.03 0.00 0.00 54.58 52.50 1rrl n ASN 71 Cb 0.44 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1rrl n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rrl n GLY 72 N 0.98 1.78 3.81 7.41 0.00 -1.08 -5.04 105.19 113.06 1rrl n GLY 72 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1rrl n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rrl s LYS 73 N -0.13 4.29 0.48 1.61 1.02 -1.26 -3.87 119.74 121.88 1rrl s LYS 73 Ca 0.00 1.09 -0.22 0.00 0.02 0.00 0.00 55.97 56.86 1rrl s LYS 73 Cb 0.00 -2.41 -0.09 0.00 -0.52 0.00 0.00 37.83 34.82 1rrl s LYS 73 CO 0.00 0.10 1.01 0.41 -0.92 0.00 0.00 175.35 175.95 1rrl n GLY 74 N -0.23 -0.20 3.74 -3.33 0.00 0.21 -1.04 105.19 104.34 1rrl n GLY 74 Ca 0.05 0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1rrl n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rrl s LYS 75 N -2.26 4.73 0.04 1.61 -0.14 0.73 -4.65 119.74 119.80 1rrl s LYS 75 Ca 0.67 1.51 -0.25 0.00 -1.36 0.00 0.00 55.97 56.54 1rrl s LYS 75 Cb -0.50 -3.33 -0.05 0.00 -1.68 0.00 0.00 37.83 32.27 1rrl s LYS 75 CO 0.54 0.29 0.78 -0.51 -0.76 0.00 0.00 175.35 175.69 1rrl s LEU 76 N -0.47 4.44 0.89 3.17 1.43 -1.26 -0.37 118.68 126.51 1rrl s LEU 76 Ca 0.45 1.46 -0.11 0.00 -1.03 0.00 0.00 54.13 54.90 1rrl s LEU 76 Cb -0.25 -3.26 0.19 0.00 0.03 0.00 0.00 46.19 42.90 1rrl s LEU 76 CO 0.32 -0.01 1.23 -0.83 0.23 0.00 0.00 176.35 177.28 1rrl s GLY 77 N 0.06 1.78 0.49 -3.19 0.00 -0.37 -4.99 107.32 101.10 1rrl s GLY 77 Ca 0.40 -1.44 -0.18 0.00 0.00 0.00 0.00 44.72 43.49 1rrl s GLY 77 CO 0.23 -0.71 0.98 0.54 0.00 0.00 0.00 173.10 174.14 1rrl s LYS 78 N -5.66 3.97 0.04 2.90 3.01 -1.26 -4.52 119.74 118.21 1rrl s LYS 78 Ca 0.72 1.05 -0.30 0.00 -1.01 0.00 0.00 55.97 56.43 1rrl s LYS 78 Cb -0.04 -2.14 -0.05 0.00 -1.01 0.00 0.00 37.83 34.60 1rrl s LYS 78 CO 0.50 -0.26 1.15 0.00 0.51 0.00 0.00 175.35 177.26 1rrl s ALA 79 N -2.43 3.35 -0.02 5.17 0.00 -1.26 -4.43 121.76 122.13 1rrl s ALA 79 Ca 0.61 0.76 -0.04 0.00 0.00 0.00 0.00 51.96 53.29 1rrl s ALA 79 Cb -0.11 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1rrl s ALA 79 CO 0.26 -0.43 0.10 0.99 0.00 0.00 0.00 175.76 176.68 1rrl s THR 80 N 1.17 0.04 0.25 0.00 2.01 -0.85 -4.97 115.64 113.29 1rrl s THR 80 Ca 0.57 -0.29 0.08 0.00 0.31 0.00 0.00 61.69 62.36 1rrl s THR 80 Cb -0.27 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 1rrl s THR 80 CO 0.28 -0.16 0.07 -0.36 -0.69 0.00 0.00 174.62 173.76 1rrl s PHE 81 N -0.50 2.87 0.15 4.92 0.40 -1.26 -0.94 117.98 123.62 1rrl s PHE 81 Ca -0.06 -0.17 -0.34 0.00 -0.60 0.00 0.00 56.93 55.77 1rrl s PHE 81 Cb -0.04 -1.29 -0.13 0.00 0.51 0.00 0.00 43.02 42.07 1rrl s PHE 81 CO 0.00 0.57 1.62 1.28 0.70 0.00 0.00 175.22 179.40 1rrl n LEU 82 N -0.92 3.27 -0.09 -0.37 4.77 -1.17 -4.79 117.00 117.69 1rrl n LEU 82 Ca -0.07 1.07 -0.19 0.00 -0.03 0.00 0.00 56.01 56.79 1rrl n LEU 82 Cb 0.58 -1.45 -0.13 0.00 -2.33 0.00 0.00 43.42 40.10 1rrl n LEU 82 CO 0.41 -0.20 -1.18 -0.62 -1.33 0.00 0.00 177.39 174.47 1rrl n GLU 83 N 3.77 0.68 -3.51 3.23 1.02 -0.20 -4.55 120.64 121.07 1rrl n GLU 83 Ca 0.17 0.18 -0.09 0.00 -0.02 0.00 0.00 57.16 57.40 1rrl n GLU 83 Cb 0.30 -1.58 -0.02 0.00 -0.02 0.00 0.00 31.44 30.12 1rrl n GLU 83 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1rrl s GLY 84 N -6.21 -0.47 0.18 0.62 0.00 -1.21 -5.02 107.32 95.21 1rrl s GLY 84 Ca -0.30 0.87 -0.30 0.00 0.00 0.00 0.00 44.72 44.99 1rrl s GLY 84 CO 0.66 0.28 0.94 -0.42 0.00 0.00 0.00 173.10 174.56 1rrl s ILE 85 N -3.23 4.29 -0.29 0.90 1.01 -1.26 -1.52 121.20 121.10 1rrl s ILE 85 Ca 0.05 2.05 -0.08 0.00 0.00 0.00 0.00 60.65 62.67 1rrl s ILE 85 Cb -0.01 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 1rrl s ILE 85 CO -0.09 0.42 0.11 -0.63 0.00 0.00 0.00 174.94 174.75 1rrl s ILE 86 N -0.65 4.35 0.07 2.92 1.01 0.21 -4.83 121.20 124.28 1rrl s ILE 86 Ca 0.43 -0.40 -0.15 0.00 0.00 0.00 0.00 60.65 60.54 1rrl s ILE 86 Cb -0.25 -3.16 -0.19 0.00 0.01 0.00 0.00 42.46 38.88 1rrl s ILE 86 CO 0.31 0.16 1.24 0.00 0.00 0.00 0.00 174.94 176.65 1rrl h THR 87 N 5.67 1.30 -2.90 2.92 1.03 -1.85 -3.32 112.91 115.76 1rrl h THR 87 Ca -0.34 -2.03 -0.14 0.00 -0.01 0.00 0.00 66.41 63.89 1rrl h THR 87 Cb 1.15 2.19 -0.24 0.00 -1.07 0.00 0.00 68.15 70.17 1rrl h THR 87 CO 0.60 0.63 -0.31 -0.55 -0.01 0.00 0.00 175.52 175.88 1rrl s SER 88 N -7.06 -0.35 -0.17 0.00 0.15 -1.26 -4.56 113.70 100.45 1rrl s SER 88 Ca -0.11 0.67 -0.16 0.00 0.70 0.00 0.00 55.95 57.05 1rrl s SER 88 Cb 0.07 0.69 0.04 0.00 -1.71 0.00 0.00 66.02 65.12 1rrl s SER 88 CO 0.89 -0.13 0.46 -0.76 1.20 0.00 0.00 173.24 174.89 1rrl s LEU 89 N 0.13 0.26 0.41 3.45 1.43 -1.26 -5.04 118.68 118.06 1rrl s LEU 89 Ca -0.01 0.89 0.16 0.00 -1.03 0.00 0.00 54.13 54.15 1rrl s LEU 89 Cb -0.03 1.57 1.05 0.00 0.03 0.00 0.00 46.19 48.81 1rrl s LEU 89 CO 0.01 -0.17 1.86 -0.65 0.23 0.00 0.00 176.35 177.62 1rrl h PRO 90 N 5.34 0.43 -0.52 1.29 0.11 -2.05 0.53 132.00 137.13 1rrl h PRO 90 Ca -0.27 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1rrl h PRO 90 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1rrl h PRO 90 CO 0.23 0.28 0.00 0.25 -0.21 0.00 0.00 178.00 178.55 1rrl n THR 91 N -4.52 0.72 -2.04 -1.15 -2.24 -1.26 -4.99 114.28 98.81 1rrl n THR 91 Ca 0.19 -0.86 -0.42 0.00 -2.27 0.00 0.00 64.05 60.68 1rrl n THR 91 Cb 0.66 0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 69.63 1rrl n THR 91 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1rrl s LEU 92 N -1.25 4.35 0.61 3.22 2.96 0.17 -5.00 118.68 123.75 1rrl s LEU 92 Ca 0.41 2.35 0.05 0.00 -0.22 0.00 0.00 54.13 56.73 1rrl s LEU 92 Cb 0.23 -3.56 0.09 0.00 0.50 0.00 0.00 46.19 43.45 1rrl s LEU 92 CO 0.31 -0.82 0.84 -0.83 -1.32 0.00 0.00 176.35 174.53 1rrl s GLY 93 N 2.18 1.77 0.29 7.98 0.00 -1.26 -4.95 107.32 113.34 1rrl s GLY 93 Ca 0.70 -1.88 -0.29 0.00 0.00 0.00 0.00 44.72 43.25 1rrl s GLY 93 CO 0.30 -1.42 1.23 0.00 0.00 0.00 0.00 173.10 173.21 1rrl s ALA 94 N -2.81 3.47 -0.25 3.20 0.00 -1.26 -2.54 121.76 121.57 1rrl s ALA 94 Ca 0.62 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.69 1rrl s ALA 94 Cb -0.06 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1rrl s ALA 94 CO 0.40 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1rrl n GLY 95 N 1.21 0.50 3.73 0.00 0.00 -1.26 -4.85 105.19 104.51 1rrl n GLY 95 Ca 0.01 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1rrl n GLY 95 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rrl s GLN 96 N -1.33 2.96 0.23 1.61 -0.21 -1.05 -4.42 119.66 117.44 1rrl s GLN 96 Ca 0.00 -0.50 0.12 0.00 0.02 0.00 0.00 55.36 55.00 1rrl s GLN 96 Cb 0.00 -2.79 -0.05 0.00 1.00 0.00 0.00 33.01 31.17 1rrl s GLN 96 CO 0.00 0.66 -0.22 -1.12 -2.12 0.00 0.00 175.29 172.49 1rrl s SER 97 N -1.43 3.50 0.04 5.90 0.01 0.11 -3.01 113.70 118.81 1rrl s SER 97 Ca 0.19 -0.94 0.03 0.00 1.31 0.00 0.00 55.95 56.54 1rrl s SER 97 Cb -0.12 -0.27 -0.02 0.00 0.21 0.00 0.00 66.02 65.82 1rrl s SER 97 CO 0.09 0.08 -0.09 0.00 0.41 0.00 0.00 173.24 173.73 1rrl s ALA 98 N -2.06 0.74 -0.04 1.44 0.00 -1.25 -1.01 121.76 119.59 1rrl s ALA 98 Ca 0.25 -0.73 -0.03 0.00 0.00 0.00 0.00 51.96 51.45 1rrl s ALA 98 Cb -0.07 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.03 1rrl s ALA 98 CO 0.12 0.07 0.09 -0.06 0.00 0.00 0.00 175.76 175.98 1rrl s PHE 99 N -1.10 -0.10 -0.02 0.00 0.08 0.30 -0.62 117.98 116.54 1rrl s PHE 99 Ca -0.05 0.25 -0.11 0.00 0.12 0.00 0.00 56.93 57.15 1rrl s PHE 99 Cb -0.08 0.00 -0.05 0.00 -0.57 0.00 0.00 43.02 42.32 1rrl s PHE 99 CO 0.01 -0.06 0.31 -1.59 -0.10 0.00 0.00 175.22 173.79 1rrl s LYS 100 N 0.24 3.71 -0.17 0.44 -2.85 -0.58 0.12 119.74 120.66 1rrl s LYS 100 Ca -0.02 0.16 -0.09 0.00 -1.00 0.00 0.00 55.97 55.02 1rrl s LYS 100 Cb -0.03 -3.16 0.06 0.00 -2.06 0.00 0.00 37.83 32.65 1rrl s LYS 100 CO -0.01 0.69 0.41 -1.50 0.10 0.00 0.00 175.35 175.04 1rrl s ILE 101 N -1.15 -0.06 -0.18 3.79 2.07 0.17 -1.03 121.20 124.81 1rrl s ILE 101 Ca 0.23 0.10 -0.03 0.00 -1.41 0.00 0.00 60.65 59.54 1rrl s ILE 101 Cb -0.14 -0.61 -0.02 0.00 0.13 0.00 0.00 42.46 41.81 1rrl s ILE 101 CO 0.12 0.04 -0.05 0.20 -1.91 0.00 0.00 174.94 173.35 1rrl s ASN 102 N 1.47 4.56 -0.08 4.50 0.01 -1.26 0.86 114.94 125.00 1rrl s ASN 102 Ca -0.09 -0.24 -0.08 0.00 -0.71 0.00 0.00 52.86 51.73 1rrl s ASN 102 Cb -0.09 -1.75 -0.04 0.00 0.41 0.00 0.00 41.25 39.78 1rrl s ASN 102 CO -0.13 0.10 0.21 -0.36 -1.51 0.00 0.00 177.10 175.41 1rrl s PHE 103 N 0.77 3.62 -0.05 2.20 0.08 0.14 -4.93 117.98 119.82 1rrl s PHE 103 Ca -0.02 0.63 -0.30 0.00 0.12 0.00 0.00 56.93 57.36 1rrl s PHE 103 Cb -0.15 -2.02 -0.03 0.00 -0.57 0.00 0.00 43.02 40.26 1rrl s PHE 103 CO 0.02 0.70 1.06 -1.21 -0.10 0.00 0.00 175.22 175.70 1rrl s GLU 104 N -1.15 4.45 0.18 0.44 2.02 -1.26 -1.55 118.70 121.83 1rrl s GLU 104 Ca 0.19 1.51 -0.18 0.00 0.02 0.00 0.00 54.97 56.51 1rrl s GLU 104 Cb -0.13 -3.50 0.03 0.00 0.10 0.00 0.00 34.13 30.63 1rrl s GLU 104 CO 0.08 -0.26 0.51 -0.46 0.02 0.00 0.00 175.26 175.15 1rrl s TRP 105 N 1.67 -0.17 0.00 1.61 -0.11 -1.21 -4.50 118.94 116.24 1rrl s TRP 105 Ca 0.52 -0.16 0.00 0.00 1.22 0.00 0.00 56.10 57.68 1rrl s TRP 105 Cb -0.22 0.39 0.00 0.00 -1.50 0.00 0.00 33.47 32.14 1rrl s TRP 105 CO 0.23 -0.88 0.00 -0.40 -4.62 0.00 0.00 176.95 171.28 1rrl n ASP 106 N -0.33 0.00 -4.43 5.86 5.68 -1.26 -2.26 116.55 119.81 1rrl n ASP 106 Ca -0.11 -0.99 -0.44 0.00 -0.50 0.00 0.00 54.79 52.75 1rrl n ASP 106 Cb 0.63 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.57 1rrl n ASP 106 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1rrl s ASP 107 N -0.97 6.24 0.00 -1.12 1.01 -1.26 -3.38 116.67 117.19 1rrl s ASP 107 Ca 0.00 -1.26 0.00 0.00 0.71 0.00 0.00 52.55 52.00 1rrl s ASP 107 Cb 0.00 -2.39 0.00 0.00 1.01 0.00 0.00 42.92 41.54 1rrl s ASP 107 CO 0.00 -1.31 0.00 0.61 0.21 0.00 0.00 175.17 174.68 1rrl n GLY 108 N 5.33 1.48 0.16 0.21 0.00 -1.26 -4.97 105.19 106.15 1rrl n GLY 108 Ca -0.01 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.01 1rrl n GLY 108 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1rrl h SER 109 N 1.55 0.00 -3.95 1.61 0.02 -1.96 -3.48 113.55 107.34 1rrl h SER 109 Ca 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1rrl h SER 109 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1rrl h SER 109 CO 0.00 0.37 -0.03 0.61 -1.14 0.00 0.00 176.83 176.64 1rrl n GLY 110 N 1.13 -2.24 3.73 -3.77 0.00 -1.26 -4.64 105.19 98.14 1rrl n GLY 110 Ca 0.02 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.12 1rrl n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rrl s ILE 111 N -1.07 4.16 0.61 -0.61 1.01 -1.26 -4.92 121.20 119.12 1rrl s ILE 111 Ca 0.00 1.74 -0.15 0.00 0.00 0.00 0.00 60.65 62.24 1rrl s ILE 111 Cb 0.00 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 1rrl s ILE 111 CO 0.00 0.24 1.05 -2.84 0.00 0.00 0.00 174.94 173.39 1rrl s PRO 112 N 0.16 3.27 0.00 2.79 0.02 -1.26 -0.51 135.00 139.47 1rrl s PRO 112 Ca 0.51 1.15 0.00 0.00 0.02 0.00 0.00 61.00 62.68 1rrl s PRO 112 Cb -0.27 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.22 1rrl s PRO 112 CO 0.32 -0.84 0.17 0.41 -0.33 0.00 0.00 177.00 176.73 1rrl n GLY 113 N -1.18 0.09 3.60 0.52 0.00 -0.79 -4.63 105.19 102.80 1rrl n GLY 113 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 1rrl n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rrl s ALA 114 N 0.00 -1.98 0.06 4.61 0.00 -1.20 -1.87 121.76 121.39 1rrl s ALA 114 Ca 0.00 0.99 -0.24 0.00 0.00 0.00 0.00 51.96 52.71 1rrl s ALA 114 Cb 0.00 0.26 0.06 0.00 0.00 0.00 0.00 23.12 23.44 1rrl s ALA 114 CO 0.00 -0.80 0.56 -0.59 0.00 0.00 0.00 175.76 174.93 1rrl s PHE 115 N -2.74 -0.49 -0.03 0.00 -0.12 -0.14 0.04 117.98 114.50 1rrl s PHE 115 Ca 0.10 0.53 0.01 0.00 -0.05 0.00 0.00 56.93 57.52 1rrl s PHE 115 Cb 0.00 0.41 -0.03 0.00 -0.63 0.00 0.00 43.02 42.77 1rrl s PHE 115 CO -0.04 -0.69 -0.02 0.71 -0.05 0.00 0.00 175.22 175.12 1rrl s TYR 116 N -2.62 3.05 -0.04 3.49 2.02 -0.67 0.32 117.35 122.91 1rrl s TYR 116 Ca -0.04 0.08 0.02 0.00 -0.37 0.00 0.00 57.07 56.76 1rrl s TYR 116 Cb -0.01 -1.70 0.01 0.00 -0.40 0.00 0.00 41.96 39.87 1rrl s TYR 116 CO -0.03 0.43 -0.08 -1.50 -1.57 0.00 0.00 175.55 172.80 1rrl s ILE 117 N -0.98 0.76 -0.14 2.71 2.07 -0.58 -1.40 121.20 123.63 1rrl s ILE 117 Ca 0.17 -0.29 -0.02 0.00 -1.41 0.00 0.00 60.65 59.09 1rrl s ILE 117 Cb -0.11 -0.71 -0.02 0.00 0.13 0.00 0.00 42.46 41.74 1rrl s ILE 117 CO 0.07 0.26 -0.07 -0.54 -1.91 0.00 0.00 174.94 172.75 1rrl s LYS 118 N 0.56 3.54 -0.27 3.50 1.02 -0.64 -3.63 119.74 123.82 1rrl s LYS 118 Ca -0.09 -0.57 -0.08 0.00 0.02 0.00 0.00 55.97 55.25 1rrl s LYS 118 Cb -0.12 -2.81 -0.02 0.00 -0.52 0.00 0.00 37.83 34.36 1rrl s LYS 118 CO 0.01 0.26 0.08 1.21 -0.92 0.00 0.00 175.35 175.99 1rrl s ASN 119 N 0.29 5.19 0.00 2.83 2.47 -1.26 -0.85 114.94 123.61 1rrl s ASN 119 Ca -0.06 -0.35 0.12 0.00 0.42 0.00 0.00 52.86 52.99 1rrl s ASN 119 Cb -0.15 -1.93 0.10 0.00 -1.45 0.00 0.00 41.25 37.83 1rrl s ASN 119 CO 0.04 -0.09 0.89 0.49 -3.72 0.00 0.00 177.10 174.71 1rrl n PHE 120 N 4.92 0.01 -1.41 0.43 3.72 0.50 0.99 117.46 126.63 1rrl n PHE 120 Ca -0.15 -0.01 -0.31 0.00 -0.05 0.00 0.00 57.45 56.92 1rrl n PHE 120 Cb 0.50 -0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.12 1rrl n PHE 120 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 1rrl s MET 121 N -1.01 2.53 0.27 -1.08 -1.94 -1.23 -4.95 119.30 111.89 1rrl s MET 121 Ca 0.14 1.04 -0.02 0.00 -1.71 0.00 0.00 55.69 55.15 1rrl s MET 121 Cb 0.10 -1.94 0.36 0.00 2.01 0.00 0.00 34.83 35.36 1rrl s MET 121 CO 0.15 -1.41 1.77 1.96 -0.01 0.00 0.00 175.02 177.48 1rrl h GLN 122 N -0.95 0.78 -5.85 2.03 7.50 -1.97 -3.41 115.11 113.24 1rrl h GLN 122 Ca -0.44 -0.20 -0.64 0.00 0.50 0.00 0.00 58.65 57.87 1rrl h GLN 122 Cb 1.22 -0.10 -0.06 0.00 0.05 0.00 0.00 27.48 28.60 1rrl h GLN 122 CO 0.54 0.78 -0.33 0.99 -1.50 0.00 0.00 178.83 179.31 1rrl s THR 123 N -5.02 5.24 0.53 -0.54 2.01 -1.26 -4.72 115.64 111.89 1rrl s THR 123 Ca -0.09 0.55 -0.19 0.00 0.31 0.00 0.00 61.69 62.26 1rrl s THR 123 Cb 0.15 -3.57 -0.07 0.00 0.01 0.00 0.00 72.50 69.02 1rrl s THR 123 CO 0.81 0.59 1.08 -1.83 -0.69 0.00 0.00 174.62 174.58 1rrl s GLU 124 N -1.08 3.54 0.10 4.92 1.03 -1.26 -4.76 118.70 121.19 1rrl s GLU 124 Ca 0.20 1.45 0.01 0.00 0.03 0.00 0.00 54.97 56.66 1rrl s GLU 124 Cb -0.15 -2.05 -0.04 0.00 -0.80 0.00 0.00 34.13 31.10 1rrl s GLU 124 CO 0.09 -0.67 -0.06 -0.59 -1.33 0.00 0.00 175.26 172.71 1rrl s PHE 125 N -1.96 0.86 -0.42 4.83 -0.12 -1.09 -4.24 117.98 115.84 1rrl s PHE 125 Ca 0.69 -0.94 -0.17 0.00 -0.05 0.00 0.00 56.93 56.46 1rrl s PHE 125 Cb -0.19 -0.51 0.02 0.00 -0.63 0.00 0.00 43.02 41.71 1rrl s PHE 125 CO 0.25 -0.19 0.41 0.12 -0.05 0.00 0.00 175.22 175.77 1rrl s PHE 126 N -3.67 3.18 -0.09 3.49 5.36 -0.74 -0.39 117.98 125.12 1rrl s PHE 126 Ca 0.12 -0.45 -0.30 0.00 -0.96 0.00 0.00 56.93 55.34 1rrl s PHE 126 Cb 0.06 -2.86 -0.02 0.00 -0.34 0.00 0.00 43.02 39.86 1rrl s PHE 126 CO -0.05 -0.69 1.08 -1.17 -1.46 0.00 0.00 175.22 172.93 1rrl s LEU 127 N 2.03 4.25 -0.20 6.12 2.96 -0.46 0.31 118.68 133.70 1rrl s LEU 127 Ca 0.10 1.62 -0.16 0.00 -0.22 0.00 0.00 54.13 55.48 1rrl s LEU 127 Cb -0.18 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 42.85 1rrl s LEU 127 CO 0.12 -0.50 -0.13 0.52 -1.32 0.00 0.00 176.35 175.04 1rrl n VAL 128 N 4.61 1.49 -3.47 1.68 0.31 0.58 -2.18 118.33 121.35 1rrl n VAL 128 Ca 0.10 -0.01 -0.11 0.00 -0.01 0.00 0.00 64.34 64.31 1rrl n VAL 128 Cb 0.48 -2.16 -0.03 0.00 -0.91 0.00 0.00 33.84 31.22 1rrl n VAL 128 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1rrl s SER 129 N -6.51 -0.50 -0.07 4.52 1.04 -0.71 -0.97 113.70 110.50 1rrl s SER 129 Ca -0.27 0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.29 1rrl s SER 129 Cb 0.07 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.67 1rrl s SER 129 CO 0.43 -0.78 -0.19 -0.22 0.98 0.00 0.00 173.24 173.46 1rrl s LEU 130 N -2.43 2.43 -0.11 2.42 2.96 -1.14 -0.54 118.68 122.28 1rrl s LEU 130 Ca 0.01 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 1rrl s LEU 130 Cb -0.01 -1.48 0.01 0.00 0.50 0.00 0.00 46.19 45.21 1rrl s LEU 130 CO -0.09 0.27 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.15 1rrl s THR 131 N -0.31 1.66 -0.27 3.68 2.01 -0.57 0.44 115.64 122.29 1rrl s THR 131 Ca 0.02 -0.75 -0.04 0.00 0.31 0.00 0.00 61.69 61.23 1rrl s THR 131 Cb -0.13 -1.49 0.02 0.00 0.01 0.00 0.00 72.50 70.91 1rrl s THR 131 CO 0.03 0.47 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.66 1rrl s LEU 132 N 0.82 3.44 -0.19 4.42 1.43 0.17 -1.30 118.68 127.47 1rrl s LEU 132 Ca -0.09 -0.80 -0.10 0.00 -1.03 0.00 0.00 54.13 52.11 1rrl s LEU 132 Cb -0.16 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 1rrl s LEU 132 CO 0.01 -0.15 0.15 -1.61 0.23 0.00 0.00 176.35 174.98 1rrl s GLU 133 N 1.40 4.12 0.00 1.70 2.02 -0.43 -0.80 118.70 126.70 1rrl s GLU 133 Ca 0.01 -0.17 0.00 0.00 0.02 0.00 0.00 54.97 54.83 1rrl s GLU 133 Cb -0.17 -3.39 0.00 0.00 0.10 0.00 0.00 34.13 30.67 1rrl s GLU 133 CO -0.02 0.35 0.00 -0.25 0.02 0.00 0.00 175.26 175.36 1rrl n ASP 134 N 3.35 0.59 -0.00 -0.19 9.92 -1.26 -0.33 116.55 128.63 1rrl n ASP 134 Ca -0.16 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.08 1rrl n ASP 134 Cb 0.52 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 41.00 1rrl n ASP 134 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1rrl n ILE 135 N 0.00 0.63 -0.52 0.53 5.41 -1.26 -4.75 119.36 119.39 1rrl n ILE 135 Ca 0.00 0.25 0.00 0.00 1.00 0.00 0.00 62.75 64.00 1rrl n ILE 135 Cb 0.00 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 37.40 1rrl n ILE 135 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1rrl n PRO 136 N -3.15 3.55 -0.89 0.38 -0.04 -1.26 -4.90 135.00 128.69 1rrl n PRO 136 Ca -0.03 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.29 1rrl n PRO 136 Cb 0.10 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.57 1rrl n PRO 136 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1rrl n ASN 137 N 0.00 6.16 -4.38 3.54 2.85 -1.26 -4.75 115.26 117.43 1rrl n ASN 137 Ca 0.00 -2.91 -0.33 0.00 -0.11 0.00 0.00 54.58 51.23 1rrl n ASN 137 Cb 0.00 -1.12 -0.14 0.00 1.24 0.00 0.00 39.78 39.76 1rrl n ASN 137 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 1rrl s HIS 138 N -1.26 2.84 0.00 1.20 2.46 -1.26 -5.13 115.29 114.15 1rrl s HIS 138 Ca 0.30 -0.64 0.00 0.00 0.47 0.00 0.00 55.06 55.19 1rrl s HIS 138 Cb 0.21 -1.88 0.00 0.00 -0.13 0.00 0.00 32.58 30.79 1rrl s HIS 138 CO -0.03 -0.22 0.00 0.41 -2.47 0.00 0.00 174.74 172.43 1rrl n GLY 139 N 3.63 -1.94 3.76 1.59 0.00 -1.26 -4.66 105.19 106.32 1rrl n GLY 139 Ca -0.18 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 1rrl n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rrl s SER 140 N -1.35 6.62 -0.22 1.61 0.01 -1.26 -4.81 113.70 114.31 1rrl s SER 140 Ca 0.00 2.78 -0.06 0.00 1.31 0.00 0.00 55.95 59.97 1rrl s SER 140 Cb 0.00 -2.65 -0.03 0.00 0.21 0.00 0.00 66.02 63.56 1rrl s SER 140 CO 0.00 -0.68 0.04 -0.63 0.41 0.00 0.00 173.24 172.38 1rrl s ILE 141 N -0.75 4.26 -0.19 1.44 1.01 0.02 -4.95 121.20 122.03 1rrl s ILE 141 Ca 0.53 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.89 1rrl s ILE 141 Cb -0.42 -2.95 -0.05 0.00 0.01 0.00 0.00 42.46 39.05 1rrl s ILE 141 CO 0.52 0.39 0.10 -1.00 0.00 0.00 0.00 174.94 174.95 1rrl s HIS 142 N 1.16 3.34 -0.19 3.97 3.76 -1.26 0.46 115.29 126.52 1rrl s HIS 142 Ca 0.04 0.21 -0.04 0.00 -0.15 0.00 0.00 55.06 55.11 1rrl s HIS 142 Cb -0.14 -2.13 -0.02 0.00 1.11 0.00 0.00 32.58 31.40 1rrl s HIS 142 CO 0.03 0.22 -0.02 -0.06 -0.85 0.00 0.00 174.74 174.06 1rrl s PHE 143 N 0.38 3.01 -0.37 1.40 0.40 0.17 -0.70 117.98 122.28 1rrl s PHE 143 Ca 0.06 -0.51 -0.09 0.00 -0.60 0.00 0.00 56.93 55.79 1rrl s PHE 143 Cb -0.12 -2.05 0.04 0.00 0.51 0.00 0.00 43.02 41.40 1rrl s PHE 143 CO -0.01 -0.25 0.17 0.08 0.70 0.00 0.00 175.22 175.92 1rrl s VAL 144 N 0.92 4.21 -0.27 -0.44 1.01 -1.26 -2.86 120.40 121.70 1rrl s VAL 144 Ca 0.00 -1.05 -0.15 0.00 0.00 0.00 0.00 61.98 60.79 1rrl s VAL 144 Cb -0.14 -3.40 -0.13 0.00 0.00 0.00 0.00 36.38 32.71 1rrl s VAL 144 CO 0.02 -0.25 -0.29 0.00 0.00 0.00 0.00 175.10 174.58 1rrl n ASN 146 N -4.28 -3.97 -3.73 0.00 3.02 -0.93 -4.97 115.26 100.41 1rrl n ASN 146 Ca -0.51 -1.28 -0.13 0.00 -0.03 0.00 0.00 54.58 52.62 1rrl n ASN 146 Cb 0.85 -1.54 -0.10 0.00 -0.61 0.00 0.00 39.78 38.39 1rrl n ASN 146 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1rrl s SER 147 N -3.57 -0.41 0.16 6.41 0.15 -1.04 -4.98 113.70 110.40 1rrl s SER 147 Ca 0.49 0.74 -0.30 0.00 0.70 0.00 0.00 55.95 57.58 1rrl s SER 147 Cb -0.27 0.78 -0.07 0.00 -1.71 0.00 0.00 66.02 64.74 1rrl s SER 147 CO 0.95 -0.20 1.06 0.26 1.20 0.00 0.00 173.24 176.51 1rrl s TRP 148 N -0.04 3.66 -0.40 3.44 0.52 -1.26 -1.35 118.94 123.50 1rrl s TRP 148 Ca -0.02 1.65 -0.06 0.00 0.02 0.00 0.00 56.10 57.70 1rrl s TRP 148 Cb -0.03 -3.21 0.09 0.00 -1.15 0.00 0.00 33.47 29.17 1rrl s TRP 148 CO 0.01 -0.37 0.21 0.42 0.02 0.00 0.00 176.95 177.24 1rrl s ILE 149 N -0.16 3.66 0.44 2.03 -1.09 0.47 -4.95 121.20 121.61 1rrl s ILE 149 Ca 0.49 -1.71 -0.04 0.00 -2.23 0.00 0.00 60.65 57.16 1rrl s ILE 149 Cb -0.28 -3.35 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 1rrl s ILE 149 CO 0.33 -0.55 0.72 -0.31 -1.23 0.00 0.00 174.94 173.90 1rrl s TYR 150 N 1.28 3.54 0.21 3.97 1.51 -1.26 -2.69 117.35 123.91 1rrl s TYR 150 Ca 0.04 0.70 -0.31 0.00 -1.01 0.00 0.00 57.07 56.49 1rrl s TYR 150 Cb -0.23 -2.20 -0.15 0.00 -0.11 0.00 0.00 41.96 39.27 1rrl s TYR 150 CO -0.01 -0.16 1.10 -1.71 -1.11 0.00 0.00 175.55 173.66 1rrl n ASN 151 N -2.07 1.30 -0.32 2.29 2.85 -1.26 -4.62 115.26 113.43 1rrl n ASN 151 Ca -0.01 1.15 0.05 0.00 -0.11 0.00 0.00 54.58 55.66 1rrl n ASN 151 Cb 0.55 -1.24 0.12 0.00 1.24 0.00 0.00 39.78 40.45 1rrl n ASN 151 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1rrl n ALA 152 N 1.07 0.18 0.03 5.20 0.00 0.28 -2.66 120.51 124.61 1rrl n ALA 152 Ca 0.13 0.97 0.01 0.00 0.00 0.00 0.00 53.44 54.55 1rrl n ALA 152 Cb 0.27 -0.57 0.07 0.00 0.00 0.00 0.00 19.45 19.23 1rrl n ALA 152 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1rrl n LYS 153 N -5.43 0.02 0.10 0.00 5.02 -1.26 -2.47 118.16 114.13 1rrl n LYS 153 Ca 0.14 0.35 0.07 0.00 -2.02 0.00 0.00 58.31 56.84 1rrl n LYS 153 Cb 0.44 -1.79 -0.00 0.00 -0.02 0.00 0.00 35.03 33.65 1rrl n LYS 153 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1rrl h LEU 154 N 0.00 0.00 -8.86 -0.35 3.38 -1.86 -3.46 115.31 104.16 1rrl h LEU 154 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 1rrl h LEU 154 Cb 0.47 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.98 1rrl h LEU 154 CO 0.00 0.24 -0.78 -0.36 0.09 0.00 0.00 178.44 177.63 1rrl s PHE 155 N -3.16 2.67 0.08 1.13 0.08 -1.03 -5.02 117.98 112.74 1rrl s PHE 155 Ca 0.00 -0.22 -0.08 0.00 0.12 0.00 0.00 56.93 56.76 1rrl s PHE 155 Cb 0.08 -1.63 -0.24 0.00 -0.57 0.00 0.00 43.02 40.66 1rrl s PHE 155 CO 0.78 0.14 1.16 -0.22 -0.10 0.00 0.00 175.22 176.98 1rrl h LYS 156 N 5.44 0.42 -5.25 0.44 3.64 -1.89 -3.43 116.57 115.94 1rrl h LYS 156 Ca -0.45 -0.59 -0.66 0.00 -1.27 0.00 0.00 60.65 57.68 1rrl h LYS 156 Cb 1.15 0.20 -0.28 0.00 -0.41 0.00 0.00 32.23 32.89 1rrl h LYS 156 CO 0.50 1.25 -0.78 0.45 -2.27 0.00 0.00 179.45 178.60 1rrl s SER 157 N -7.24 3.90 0.67 4.20 0.15 -1.26 -5.11 113.70 109.00 1rrl s SER 157 Ca -0.06 -0.39 -0.17 0.00 0.70 0.00 0.00 55.95 56.03 1rrl s SER 157 Cb 0.07 -1.60 -0.05 0.00 -1.71 0.00 0.00 66.02 62.73 1rrl s SER 157 CO 0.90 0.12 0.65 0.47 1.20 0.00 0.00 173.24 176.58 1rrl n ASP 158 N 3.82 -0.66 -4.66 5.45 8.00 -1.26 -4.87 116.55 122.38 1rrl n ASP 158 Ca -0.18 0.67 -0.42 0.00 0.71 0.00 0.00 54.79 55.56 1rrl n ASP 158 Cb 0.52 -1.26 -0.03 0.00 -0.02 0.00 0.00 41.12 40.34 1rrl n ASP 158 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1rrl s ARG 159 N -2.68 4.12 -0.06 -1.24 1.81 -1.24 -4.88 118.95 114.79 1rrl s ARG 159 Ca 0.69 2.34 -0.02 0.00 -1.72 0.00 0.00 55.73 57.02 1rrl s ARG 159 Cb -0.38 -4.07 -0.04 0.00 -0.45 0.00 0.00 34.95 30.01 1rrl s ARG 159 CO 0.54 -0.94 0.05 -1.50 -0.68 0.00 0.00 175.30 172.77 1rrl s ILE 160 N 4.37 4.66 0.07 1.52 2.07 -1.26 -1.53 121.20 131.10 1rrl s ILE 160 Ca 0.80 -0.23 0.04 0.00 -1.41 0.00 0.00 60.65 59.85 1rrl s ILE 160 Cb -0.37 -3.03 -0.03 0.00 0.13 0.00 0.00 42.46 39.16 1rrl s ILE 160 CO 0.35 0.52 -0.11 -0.36 -1.91 0.00 0.00 174.94 173.43 1rrl s PHE 161 N -1.02 0.99 0.12 3.50 0.08 0.15 -4.98 117.98 116.82 1rrl s PHE 161 Ca 0.17 -0.56 0.09 0.00 0.12 0.00 0.00 56.93 56.76 1rrl s PHE 161 Cb -0.12 -0.56 -0.04 0.00 -0.57 0.00 0.00 43.02 41.74 1rrl s PHE 161 CO 0.07 -0.01 -0.19 -0.06 -0.10 0.00 0.00 175.22 174.92 1rrl s PHE 162 N -1.81 2.50 1.08 0.36 0.08 -1.26 -0.97 117.98 117.96 1rrl s PHE 162 Ca -0.01 -0.28 -0.15 0.00 0.12 0.00 0.00 56.93 56.60 1rrl s PHE 162 Cb -0.07 -1.32 0.14 0.00 -0.57 0.00 0.00 43.02 41.20 1rrl s PHE 162 CO 0.01 0.39 0.43 0.00 -0.10 0.00 0.00 175.22 175.94 1rrl n ALA 163 N 0.76 -3.23 -0.34 5.36 0.00 -0.78 -4.32 120.51 117.95 1rrl n ALA 163 Ca -0.16 -1.05 0.27 0.00 0.00 0.00 0.00 53.44 52.50 1rrl n ALA 163 Cb 0.53 -1.75 0.51 0.00 0.00 0.00 0.00 19.45 18.74 1rrl n ALA 163 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1rrl h ASN 164 N -2.08 0.46 -3.09 0.00 -0.26 -1.24 -3.45 115.58 105.91 1rrl h ASN 164 Ca -0.52 0.19 -0.53 0.00 -0.56 0.00 0.00 56.30 54.88 1rrl h ASN 164 Cb 1.33 0.15 0.02 0.00 -1.06 0.00 0.00 38.32 38.76 1rrl h ASN 164 CO 0.40 -0.18 0.69 -1.58 -1.06 0.00 0.00 177.43 175.70 1rrl s GLN 165 N -5.59 4.35 -0.14 0.81 2.00 -1.26 -2.78 119.66 117.03 1rrl s GLN 165 Ca -0.09 2.03 -0.29 0.00 -2.00 0.00 0.00 55.36 55.01 1rrl s GLN 165 Cb 0.31 -3.25 -0.02 0.00 0.80 0.00 0.00 33.01 30.85 1rrl s GLN 165 CO 0.79 -0.38 1.20 0.99 -0.50 0.00 0.00 175.29 177.39 1rrl s THR 166 N 0.93 4.36 -0.08 -0.34 2.01 -1.26 -4.87 115.64 116.38 1rrl s THR 166 Ca 0.62 1.65 0.03 0.00 0.31 0.00 0.00 61.69 64.30 1rrl s THR 166 Cb -0.36 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.10 1rrl s THR 166 CO 0.31 -0.10 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.67 1rrl s TYR 167 N 3.03 1.82 0.61 4.92 2.02 -0.54 -4.95 117.35 124.26 1rrl s TYR 167 Ca 0.53 -0.71 -0.16 0.00 -0.37 0.00 0.00 57.07 56.36 1rrl s TYR 167 Cb -0.21 -1.28 -0.03 0.00 -0.40 0.00 0.00 41.96 40.04 1rrl s TYR 167 CO 0.16 -0.32 1.09 -1.17 -1.57 0.00 0.00 175.55 173.73 1rrl s LEU 168 N 0.55 3.51 0.42 -1.29 2.96 -1.26 -3.62 118.68 119.94 1rrl s LEU 168 Ca -0.16 1.95 0.18 0.00 -0.22 0.00 0.00 54.13 55.88 1rrl s LEU 168 Cb -0.17 -4.55 1.08 0.00 0.50 0.00 0.00 46.19 43.06 1rrl s LEU 168 CO 0.05 -1.34 1.85 -0.65 -1.32 0.00 0.00 176.35 174.94 1rrl h PRO 169 N 0.44 0.40 0.00 0.98 0.11 -1.97 0.84 132.00 132.80 1rrl h PRO 169 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1rrl h PRO 169 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1rrl h PRO 169 CO 0.56 0.26 0.00 0.66 -0.21 0.00 0.00 178.00 179.27 1rrl h SER 170 N 0.41 0.00 0.00 -2.05 4.64 -1.93 -3.01 113.55 111.61 1rrl h SER 170 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1rrl h SER 170 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1rrl h SER 170 CO -0.19 0.00 -0.97 -0.62 -0.87 0.00 0.00 176.83 174.18 1rrl n GLU 171 N -2.40 1.94 -1.66 4.77 1.02 0.25 -4.95 120.64 119.62 1rrl n GLU 171 Ca 0.00 -0.05 -0.57 0.00 -0.02 0.00 0.00 57.16 56.52 1rrl n GLU 171 Cb 0.15 -1.16 -0.07 0.00 -0.02 0.00 0.00 31.44 30.34 1rrl n GLU 171 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1rrl n THR 172 N -1.55 0.15 -1.67 2.62 -1.04 -0.99 -4.83 114.28 106.98 1rrl n THR 172 Ca 0.00 -0.03 -0.53 0.00 -2.04 0.00 0.00 64.05 61.46 1rrl n THR 172 Cb 0.24 -0.90 -0.06 0.00 -1.82 0.00 0.00 70.33 67.79 1rrl n THR 172 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1rrl n PRO 173 N 4.04 1.50 -0.28 -2.82 -0.02 -1.26 -4.80 135.00 131.36 1rrl n PRO 173 Ca 0.24 0.55 0.13 0.00 -2.02 0.00 0.00 63.50 62.40 1rrl n PRO 173 Cb 0.12 -2.26 0.39 0.00 -0.02 0.00 0.00 33.50 31.72 1rrl n PRO 173 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rrl h ALA 174 N 6.73 1.86 0.00 3.55 0.00 -1.88 0.29 119.26 129.81 1rrl h ALA 174 Ca -0.47 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1rrl h ALA 174 Cb 1.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1rrl h ALA 174 CO 0.90 -0.12 0.00 -2.30 0.00 0.00 0.00 179.25 177.73 1rrl n PRO 175 N -4.57 0.01 -0.03 0.00 -0.02 -1.25 -2.53 135.00 126.60 1rrl n PRO 175 Ca 0.18 0.31 0.02 0.00 -2.02 0.00 0.00 63.50 61.99 1rrl n PRO 175 Cb 0.51 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.52 1rrl n PRO 175 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1rrl n LEU 176 N -1.32 1.87 -0.05 2.45 4.77 0.10 0.68 117.00 125.50 1rrl n LEU 176 Ca 0.00 -1.52 -0.11 0.00 -0.03 0.00 0.00 56.01 54.36 1rrl n LEU 176 Cb 0.01 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.00 1rrl n LEU 176 CO 0.01 0.45 0.82 0.58 -1.33 0.00 0.00 177.39 177.91 1rrl h VAL 177 N 0.80 1.20 -0.28 4.08 2.07 -1.38 -1.04 116.25 121.70 1rrl h VAL 177 Ca 0.00 -0.62 -0.16 0.00 0.82 0.00 0.00 66.70 66.74 1rrl h VAL 177 Cb 0.39 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1rrl h VAL 177 CO 0.00 0.19 -0.47 0.50 0.02 0.00 0.00 177.57 177.81 1rrl h LYS 178 N 0.12 0.75 -0.89 1.57 3.64 -1.85 -2.74 116.57 117.17 1rrl h LYS 178 Ca 0.06 -0.43 -0.02 0.00 -1.27 0.00 0.00 60.65 58.99 1rrl h LYS 178 Cb 0.25 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 1rrl h LYS 178 CO -0.00 1.06 0.47 1.88 -2.27 0.00 0.00 179.45 180.58 1rrl h TYR 179 N 0.60 1.24 0.44 1.91 0.05 -1.85 -0.27 116.97 119.09 1rrl h TYR 179 Ca 0.03 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 1rrl h TYR 179 Cb 1.04 -0.39 0.00 0.00 1.01 0.00 0.00 36.73 38.39 1rrl h TYR 179 CO 0.06 0.87 -0.21 -0.09 -1.05 0.00 0.00 178.16 177.73 1rrl h ARG 180 N 1.26 -0.57 -0.31 4.88 2.43 -1.02 -2.62 114.38 118.43 1rrl h ARG 180 Ca 0.31 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.51 1rrl h ARG 180 Cb 0.06 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1rrl h ARG 180 CO -0.05 -0.31 0.15 1.49 -1.51 0.00 0.00 179.97 179.74 1rrl h GLU 181 N -0.74 0.42 -0.17 0.20 4.57 -1.44 -3.12 114.58 114.30 1rrl h GLU 181 Ca -0.06 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.01 1rrl h GLU 181 Cb 0.53 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1rrl h GLU 181 CO 0.10 0.32 -0.15 1.49 -1.18 0.00 0.00 179.01 179.59 1rrl h GLU 182 N 0.42 0.40 -0.48 1.92 4.81 -0.95 0.11 114.58 120.81 1rrl h GLU 182 Ca 0.11 -0.21 0.10 0.00 -0.13 0.00 0.00 59.36 59.23 1rrl h GLU 182 Cb 0.04 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.32 1rrl h GLU 182 CO -0.02 0.76 -0.25 1.49 -0.73 0.00 0.00 179.01 180.27 1rrl h GLU 183 N 0.05 -0.14 -0.92 1.92 4.22 -1.47 -1.29 114.58 116.96 1rrl h GLU 183 Ca 0.03 0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.50 1rrl h GLU 183 Cb 0.68 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 1rrl h GLU 183 CO 0.04 -0.09 0.61 -0.07 -2.18 0.00 0.00 179.01 177.31 1rrl h LEU 184 N -0.14 1.03 -1.39 1.64 4.07 -1.39 0.31 115.31 119.43 1rrl h LEU 184 Ca 0.22 -0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.13 1rrl h LEU 184 Cb 0.49 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 1rrl h LEU 184 CO -0.56 0.73 0.07 -0.74 -1.08 0.00 0.00 178.44 176.85 1rrl h HIS 185 N 1.20 0.48 0.12 1.13 2.76 -0.47 -1.17 115.15 119.21 1rrl h HIS 185 Ca 0.35 -0.03 -0.29 0.00 -2.20 0.00 0.00 60.37 58.21 1rrl h HIS 185 Cb -0.07 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 28.74 1rrl h HIS 185 CO -0.00 0.43 -1.36 -0.91 -1.30 0.00 0.00 177.93 174.80 1rrl h ASN 186 N 0.47 0.41 -0.93 3.26 2.35 0.01 -2.85 115.58 118.30 1rrl h ASN 186 Ca 0.11 -0.48 0.10 0.00 -0.55 0.00 0.00 56.30 55.48 1rrl h ASN 186 Cb 0.20 -0.13 -0.07 0.00 0.05 0.00 0.00 38.32 38.37 1rrl h ASN 186 CO -0.00 1.39 0.60 0.25 -1.65 0.00 0.00 177.43 178.02 1rrl h LEU 187 N 0.07 0.86 0.01 1.61 5.85 -0.20 -3.25 115.31 120.26 1rrl h LEU 187 Ca -0.18 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1rrl h LEU 187 Cb 1.99 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.87 1rrl h LEU 187 CO 0.19 0.49 -0.01 0.03 -0.34 0.00 0.00 178.44 178.81 1rrl h ARG 188 N 0.94 -0.02 -0.66 1.25 3.08 -1.16 0.27 114.38 118.08 1rrl h ARG 188 Ca 0.44 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.57 1rrl h ARG 188 Cb 0.41 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1rrl h ARG 188 CO -0.20 0.73 -0.14 0.41 -1.07 0.00 0.00 179.97 179.70 1rrl n GLY 189 N 1.43 -1.71 0.40 0.04 0.00 -1.08 -4.14 105.19 100.14 1rrl n GLY 189 Ca -0.08 -1.44 0.08 0.00 0.00 0.00 0.00 46.02 44.58 1rrl n GLY 189 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rrl n ASP 190 N -2.20 1.19 0.00 1.61 5.75 -1.26 -4.93 116.55 116.71 1rrl n ASP 190 Ca -0.00 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 1rrl n ASP 190 Cb 0.13 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1rrl n ASP 190 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rrl n GLY 191 N 0.98 0.76 3.45 6.12 0.00 -1.26 -5.03 105.19 110.20 1rrl n GLY 191 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1rrl n GLY 191 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rrl s THR 192 N -3.09 2.21 0.00 2.61 -4.23 -1.26 -5.12 115.64 106.77 1rrl s THR 192 Ca 0.00 -2.32 0.00 0.00 -1.18 0.00 0.00 61.69 58.19 1rrl s THR 192 Cb 0.00 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.54 1rrl s THR 192 CO 0.00 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 1rrl n GLY 193 N -0.58 2.31 3.71 3.99 0.00 -1.26 -4.96 105.19 108.40 1rrl n GLY 193 Ca -0.06 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 1rrl n GLY 193 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rrl s GLU 194 N -3.26 4.55 0.40 1.61 2.12 -1.24 -3.97 118.70 118.91 1rrl s GLU 194 Ca 0.00 1.34 -0.23 0.00 0.36 0.00 0.00 54.97 56.44 1rrl s GLU 194 Cb 0.00 -3.45 -0.10 0.00 0.26 0.00 0.00 34.13 30.84 1rrl s GLU 194 CO 0.00 -0.00 0.97 1.03 -0.54 0.00 0.00 175.26 176.72 1rrl s ARG 195 N 0.86 4.30 0.32 4.30 1.81 -1.26 -4.83 118.95 124.45 1rrl s ARG 195 Ca 0.49 1.26 0.09 0.00 -1.72 0.00 0.00 55.73 55.85 1rrl s ARG 195 Cb -0.21 -2.42 -0.04 0.00 -0.45 0.00 0.00 34.95 31.83 1rrl s ARG 195 CO 0.27 0.02 0.09 0.15 -0.68 0.00 0.00 175.30 175.15 1rrl s LYS 196 N -2.73 2.32 0.42 3.54 -0.14 -1.26 -4.83 119.74 117.05 1rrl s LYS 196 Ca 0.58 -1.54 0.15 0.00 -1.36 0.00 0.00 55.97 53.81 1rrl s LYS 196 Cb -0.14 -2.14 0.92 0.00 -1.68 0.00 0.00 37.83 34.78 1rrl s LYS 196 CO 0.19 0.18 1.92 1.49 -0.76 0.00 0.00 175.35 178.36 1rrl h GLU 197 N 1.66 0.00 -0.22 1.68 4.81 -1.96 -2.71 114.58 117.84 1rrl h GLU 197 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1rrl h GLU 197 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1rrl h GLU 197 CO 0.63 0.27 0.00 -2.67 -0.73 0.00 0.00 179.01 176.51 1rrl n TRP 198 N -4.10 0.29 -3.61 0.92 4.27 -1.26 -4.44 117.44 109.51 1rrl n TRP 198 Ca -0.02 -0.15 -0.29 0.00 -3.89 0.00 0.00 57.50 53.16 1rrl n TRP 198 Cb 0.33 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.24 1rrl n TRP 198 CO 0.00 0.00 0.00 -1.21 -2.29 0.00 0.00 177.69 174.19 1rrl s GLU 199 N -1.71 3.58 -0.54 -2.67 2.02 -1.02 -4.89 118.70 113.46 1rrl s GLU 199 Ca 0.28 -0.19 0.07 0.00 0.02 0.00 0.00 54.97 55.15 1rrl s GLU 199 Cb 0.15 -2.80 0.32 0.00 0.10 0.00 0.00 34.13 31.90 1rrl s GLU 199 CO 0.21 0.38 0.84 0.54 0.02 0.00 0.00 175.26 177.25 1rrl n ARG 200 N -0.49 2.47 -4.64 1.61 1.74 -1.26 -1.53 116.66 114.56 1rrl n ARG 200 Ca -0.03 -4.42 -0.33 0.00 -0.77 0.00 0.00 57.85 52.30 1rrl n ARG 200 Cb 0.53 -2.06 -0.14 0.00 -1.02 0.00 0.00 32.46 29.77 1rrl n ARG 200 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1rrl s ILE 201 N -3.45 3.23 -0.21 0.55 1.01 -1.26 -4.40 121.20 116.68 1rrl s ILE 201 Ca 0.44 -0.59 -0.05 0.00 0.00 0.00 0.00 60.65 60.45 1rrl s ILE 201 Cb 0.26 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 1rrl s ILE 201 CO -0.10 0.51 -0.01 -0.31 0.00 0.00 0.00 174.94 175.03 1rrl s TYR 202 N 0.43 3.01 0.34 3.97 1.51 0.94 -4.59 117.35 122.96 1rrl s TYR 202 Ca -0.08 -0.57 -0.17 0.00 -1.01 0.00 0.00 57.07 55.23 1rrl s TYR 202 Cb -0.15 -2.09 0.06 0.00 -0.11 0.00 0.00 41.96 39.66 1rrl s TYR 202 CO 0.04 -0.32 0.83 0.34 -1.11 0.00 0.00 175.55 175.33 1rrl s ASP 203 N 1.13 -0.02 -0.05 2.29 -1.08 -1.26 -4.49 116.67 113.18 1rrl s ASP 203 Ca 0.02 -1.00 0.01 0.00 -0.52 0.00 0.00 52.55 51.06 1rrl s ASP 203 Cb -0.14 0.78 -0.03 0.00 -1.46 0.00 0.00 42.92 42.06 1rrl s ASP 203 CO 0.01 -1.53 -0.07 -0.31 0.52 0.00 0.00 175.17 173.80 1rrl s TYR 204 N -2.45 2.93 0.13 -5.34 1.51 -1.26 -0.76 117.35 112.11 1rrl s TYR 204 Ca 0.16 0.01 -0.05 0.00 -1.01 0.00 0.00 57.07 56.19 1rrl s TYR 204 Cb -0.05 -1.69 -0.02 0.00 -0.11 0.00 0.00 41.96 40.09 1rrl s TYR 204 CO 0.10 0.35 0.15 0.34 -1.11 0.00 0.00 175.55 175.38 1rrl s ASP 205 N -0.97 0.20 0.72 2.29 -1.08 0.11 -4.46 116.67 113.48 1rrl s ASP 205 Ca 0.14 -1.02 -0.06 0.00 -0.52 0.00 0.00 52.55 51.09 1rrl s ASP 205 Cb -0.11 0.35 0.08 0.00 -1.46 0.00 0.00 42.92 41.77 1rrl s ASP 205 CO 0.03 -0.78 1.02 0.68 0.52 0.00 0.00 175.17 176.64 1rrl s VAL 206 N -3.99 2.26 -1.28 1.11 -7.23 -1.26 -0.92 120.40 109.08 1rrl s VAL 206 Ca 0.19 -0.30 -0.11 0.00 -1.81 0.00 0.00 61.98 59.95 1rrl s VAL 206 Cb 0.06 -2.96 0.16 0.00 0.56 0.00 0.00 36.38 34.20 1rrl s VAL 206 CO -0.01 0.00 1.81 -1.22 -0.31 0.00 0.00 175.10 175.37 1rrl n TYR 207 N -2.95 3.40 -1.70 2.82 4.02 -0.78 -4.59 117.16 117.39 1rrl n TYR 207 Ca 0.09 -2.91 -0.19 0.00 -0.01 0.00 0.00 57.90 54.88 1rrl n TYR 207 Cb 0.60 -2.05 0.10 0.00 -0.02 0.00 0.00 39.34 37.97 1rrl n TYR 207 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1rrl n ASN 208 N 4.44 4.58 -0.00 7.72 6.94 -1.26 -2.54 115.26 135.13 1rrl n ASN 208 Ca 0.40 -3.78 -0.00 0.00 -0.02 0.00 0.00 54.58 51.18 1rrl n ASN 208 Cb 0.38 -0.57 -0.00 0.00 -2.36 0.00 0.00 39.78 37.23 1rrl n ASN 208 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1rrl n ASP 209 N -0.90 4.90 0.09 0.53 -0.08 -1.26 0.14 116.55 119.97 1rrl n ASP 209 Ca 0.43 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.57 1rrl n ASP 209 Cb 0.92 0.66 -0.14 0.00 2.34 0.00 0.00 41.12 44.90 1rrl n ASP 209 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1rrl h LEU 210 N 0.00 0.34-10.49 -2.67 3.38 -1.88 -3.47 115.31 100.52 1rrl h LEU 210 Ca -0.01 -0.38 -0.44 0.00 0.09 0.00 0.00 57.88 57.15 1rrl h LEU 210 Cb 0.73 -0.11 0.04 0.00 0.09 0.00 0.00 40.66 41.42 1rrl h LEU 210 CO 0.00 1.30 -0.05 -0.83 0.09 0.00 0.00 178.44 178.95 1rrl s GLY 211 N -4.72 1.82 -0.42 0.83 0.00 -1.26 -2.07 107.32 101.50 1rrl s GLY 211 Ca -0.04 -1.33 0.10 0.00 0.00 0.00 0.00 44.72 43.45 1rrl s GLY 211 CO 0.87 -1.06 0.96 1.34 0.00 0.00 0.00 173.10 175.20 1rrl n ASP 212 N -2.30 2.97 0.00 1.64 2.03 0.34 -4.86 116.55 116.37 1rrl n ASP 212 Ca 0.08 -3.28 0.01 0.00 0.52 0.00 0.00 54.79 52.12 1rrl n ASP 212 Cb 0.60 -0.53 0.05 0.00 -0.72 0.00 0.00 41.12 40.52 1rrl n ASP 212 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1rrl n PRO 213 N -0.16 0.00 0.10 -0.67 -0.04 -1.25 -0.55 135.00 132.42 1rrl n PRO 213 Ca 0.26 0.46 -0.03 0.00 -0.04 0.00 0.00 63.50 64.14 1rrl n PRO 213 Cb 0.65 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.60 1rrl n PRO 213 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1rrl h ASP 214 N 0.00 0.00 0.86 3.54 3.32 -1.93 -3.10 116.42 119.11 1rrl h ASP 214 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1rrl h ASP 214 Cb 0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1rrl h ASP 214 CO 0.00 0.80 -0.33 0.50 -1.72 0.00 0.00 179.24 178.48 1rrl h LYS 215 N 0.00 0.00 0.00 3.56 3.64 -1.24 -3.48 116.57 119.05 1rrl h LYS 215 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1rrl h LYS 215 Cb 1.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.34 1rrl h LYS 215 CO 0.10 0.33 0.00 0.41 -2.27 0.00 0.00 179.45 178.03 1rrl n GLY 216 N 0.20 4.27 0.11 5.01 0.00 -1.17 -4.99 105.19 108.62 1rrl n GLY 216 Ca -0.00 -0.46 0.05 0.00 0.00 0.00 0.00 46.02 45.61 1rrl n GLY 216 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1rrl n GLU 217 N -1.31 0.06 0.00 1.61 4.07 -1.25 0.15 120.64 123.98 1rrl n GLU 217 Ca 0.00 0.49 0.14 0.00 -0.06 0.00 0.00 57.16 57.73 1rrl n GLU 217 Cb 0.00 -1.94 0.63 0.00 -0.06 0.00 0.00 31.44 30.08 1rrl n GLU 217 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1rrl n ASN 218 N -1.81 0.65 -0.80 4.31 2.04 -1.26 -2.82 115.26 115.57 1rrl n ASN 218 Ca -0.01 -0.87 0.10 0.00 -0.44 0.00 0.00 54.58 53.37 1rrl n ASN 218 Cb 0.25 -0.03 0.29 0.00 -2.53 0.00 0.00 39.78 37.76 1rrl n ASN 218 CO 0.00 0.00 0.00 1.41 -0.44 0.00 0.00 177.26 178.23 1rrl n HIS 219 N -0.70 0.39 -2.29 -2.53 8.25 0.40 -4.90 115.22 113.83 1rrl n HIS 219 Ca 0.17 -0.19 -0.40 0.00 -0.26 0.00 0.00 57.72 57.03 1rrl n HIS 219 Cb 0.27 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.35 1rrl n HIS 219 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rrl s ALA 220 N -1.61 3.43 0.05 -1.41 0.00 -1.13 0.12 121.76 121.21 1rrl s ALA 220 Ca 0.34 1.07 0.04 0.00 0.00 0.00 0.00 51.96 53.41 1rrl s ALA 220 Cb 0.19 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 1rrl s ALA 220 CO 0.27 -0.41 -0.11 1.03 0.00 0.00 0.00 175.76 176.54 1rrl s ARG 221 N -1.67 0.71 0.45 0.00 1.81 -1.26 -4.87 118.95 114.12 1rrl s ARG 221 Ca 0.47 -0.77 -0.22 0.00 -1.72 0.00 0.00 55.73 53.49 1rrl s ARG 221 Cb -0.35 -0.64 -0.08 0.00 -0.45 0.00 0.00 34.95 33.43 1rrl s ARG 221 CO 0.46 0.14 1.10 -1.25 -0.68 0.00 0.00 175.30 175.08 1rrl s PRO 222 N -1.39 3.86 -0.25 3.54 0.04 -1.26 -4.75 135.00 134.78 1rrl s PRO 222 Ca -0.03 1.60 -0.29 0.00 0.04 0.00 0.00 61.00 62.32 1rrl s PRO 222 Cb -0.09 -2.36 -0.00 0.00 0.04 0.00 0.00 34.50 32.09 1rrl s PRO 222 CO 0.01 -0.43 1.29 0.08 0.04 0.00 0.00 177.00 178.00 1rrl s VAL 223 N -1.68 4.18 -0.34 -0.36 1.01 -1.26 -4.92 120.40 117.04 1rrl s VAL 223 Ca 0.63 1.37 -0.20 0.00 0.00 0.00 0.00 61.98 63.78 1rrl s VAL 223 Cb -0.24 -4.09 -0.00 0.00 0.00 0.00 0.00 36.38 32.05 1rrl s VAL 223 CO 0.29 -0.35 0.63 -0.76 0.00 0.00 0.00 175.10 174.91 1rrl s LEU 224 N 4.09 4.21 0.00 3.92 1.43 -1.05 -4.81 118.68 126.46 1rrl s LEU 224 Ca 0.56 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 1rrl s LEU 224 Cb -0.19 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.25 1rrl s LEU 224 CO 0.20 -0.55 0.00 0.61 0.23 0.00 0.00 176.35 176.84 1rrl n GLY 225 N 4.58 2.95 0.00 -3.19 0.00 -0.20 -1.87 105.19 107.46 1rrl n GLY 225 Ca -0.01 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1rrl n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rrl n GLY 226 N 0.27 0.66 3.59 -0.02 0.00 -1.26 -4.84 105.19 103.59 1rrl n GLY 226 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1rrl n GLY 226 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rrl s ASN 227 N -2.51 -0.19 0.02 1.61 2.20 -1.26 -5.08 114.94 109.73 1rrl s ASN 227 Ca 0.00 -0.67 0.15 0.00 -0.94 0.00 0.00 52.86 51.40 1rrl s ASN 227 Cb 0.00 0.60 -0.18 0.00 -2.00 0.00 0.00 41.25 39.67 1rrl s ASN 227 CO 0.00 -1.13 0.76 0.47 -2.94 0.00 0.00 177.10 174.26 1rrl n ASP 228 N -0.37 0.87 0.06 3.54 8.00 -1.26 -2.32 116.55 125.07 1rrl n ASP 228 Ca -0.06 0.40 -0.13 0.00 0.71 0.00 0.00 54.79 55.71 1rrl n ASP 228 Cb 0.62 0.05 -0.09 0.00 -0.02 0.00 0.00 41.12 41.69 1rrl n ASP 228 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1rrl h THR 229 N 0.00 1.06 -3.12 -3.53 2.02 -1.99 -3.38 112.91 103.97 1rrl h THR 229 Ca -0.22 -0.68 -0.62 0.00 0.77 0.00 0.00 66.41 65.66 1rrl h THR 229 Cb 1.77 1.50 -0.40 0.00 -1.74 0.00 0.00 68.15 69.27 1rrl h THR 229 CO 0.06 0.16 -0.70 -0.36 0.37 0.00 0.00 175.52 175.05 1rrl s PHE 230 N -4.87 2.37 0.61 3.16 0.08 -1.25 -4.63 117.98 113.46 1rrl s PHE 230 Ca -0.15 -2.66 -0.12 0.00 0.12 0.00 0.00 56.93 54.12 1rrl s PHE 230 Cb 0.03 -2.19 -0.04 0.00 -0.57 0.00 0.00 43.02 40.24 1rrl s PHE 230 CO 0.63 -0.77 1.03 -1.25 -0.10 0.00 0.00 175.22 174.75 1rrl s PRO 231 N 0.18 3.58 0.02 0.24 0.04 -0.98 -1.03 135.00 137.05 1rrl s PRO 231 Ca 0.17 0.83 -0.25 0.00 0.04 0.00 0.00 61.00 61.79 1rrl s PRO 231 Cb -0.25 -2.08 0.06 0.00 0.04 0.00 0.00 34.50 32.27 1rrl s PRO 231 CO -0.00 -0.58 0.58 -0.47 0.04 0.00 0.00 177.00 176.57 1rrl s TYR 232 N -3.03 -0.51 0.62 0.56 5.04 -1.26 -4.41 117.35 114.36 1rrl s TYR 232 Ca 0.56 0.68 -0.18 0.00 -2.44 0.00 0.00 57.07 55.70 1rrl s TYR 232 Cb -0.11 0.38 -0.02 0.00 0.35 0.00 0.00 41.96 42.56 1rrl s TYR 232 CO 0.49 -0.65 1.19 -1.25 -1.34 0.00 0.00 175.55 174.00 1rrl s PRO 233 N -2.10 2.84 0.64 4.97 0.04 -1.26 -4.67 135.00 135.46 1rrl s PRO 233 Ca -0.07 1.76 -0.09 0.00 0.04 0.00 0.00 61.00 62.65 1rrl s PRO 233 Cb -0.01 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1rrl s PRO 233 CO 0.01 -1.29 0.99 1.03 0.04 0.00 0.00 177.00 177.79 1rrl s ARG 234 N -3.49 2.98 0.50 4.56 1.81 -0.78 -4.81 118.95 119.72 1rrl s ARG 234 Ca 0.76 0.28 0.02 0.00 -1.72 0.00 0.00 55.73 55.06 1rrl s ARG 234 Cb -0.29 -2.15 0.02 0.00 -0.45 0.00 0.00 34.95 32.08 1rrl s ARG 234 CO 0.35 -0.81 0.13 2.89 -0.68 0.00 0.00 175.30 177.18 1rrl n ARG 235 N -2.77 0.79 -2.32 3.54 -4.01 -0.10 -4.04 116.66 107.75 1rrl n ARG 235 Ca 0.05 -3.46 -0.42 0.00 -1.04 0.00 0.00 57.85 52.99 1rrl n ARG 235 Cb 0.57 0.75 -0.03 0.00 -3.04 0.00 0.00 32.46 30.71 1rrl n ARG 235 CO 0.00 0.00 0.00 0.20 -3.04 0.00 0.00 177.63 174.79 1rrl s GLY 236 N -3.82 2.19 0.14 2.89 0.00 -1.26 0.08 107.32 107.54 1rrl s GLY 236 Ca 0.10 0.93 -0.31 0.00 0.00 0.00 0.00 44.72 45.43 1rrl s GLY 236 CO 0.06 2.20 1.67 -1.60 0.00 0.00 0.00 173.10 175.43 1rrl s ARG 237 N 1.29 4.18 0.19 2.90 3.52 0.06 -4.55 118.95 126.54 1rrl s ARG 237 Ca 0.61 2.44 0.10 0.00 -0.13 0.00 0.00 55.73 58.76 1rrl s ARG 237 Cb -0.32 -3.35 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 1rrl s ARG 237 CO 0.29 -0.72 -0.16 0.95 -0.81 0.00 0.00 175.30 174.85 1rrl s THR 238 N 1.88 2.80 -0.41 4.11 -4.23 -1.26 -4.82 115.64 113.71 1rrl s THR 238 Ca 0.74 -1.87 0.07 0.00 -1.18 0.00 0.00 61.69 59.46 1rrl s THR 238 Cb -0.44 -2.38 0.43 0.00 1.34 0.00 0.00 72.50 71.45 1rrl s THR 238 CO 0.33 -0.14 1.09 0.61 -0.54 0.00 0.00 174.62 175.96 1rrl n GLY 239 N 0.07 5.23 3.69 3.99 0.00 -1.25 -4.88 105.19 112.03 1rrl n GLY 239 Ca -0.11 -2.50 -0.31 0.00 0.00 0.00 0.00 46.02 43.10 1rrl n GLY 239 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rrl s ARG 240 N -3.47 1.19 0.74 1.61 0.52 -1.26 -3.68 118.95 114.59 1rrl s ARG 240 Ca 0.44 1.50 -0.15 0.00 -0.52 0.00 0.00 55.73 57.01 1rrl s ARG 240 Cb 0.41 -1.75 0.04 0.00 0.52 0.00 0.00 34.95 34.17 1rrl s ARG 240 CO -0.14 -2.50 1.20 -1.59 0.02 0.00 0.00 175.30 172.29 1rrl s LYS 241 N -4.68 2.10 0.83 3.54 -2.85 -1.26 -4.66 119.74 112.75 1rrl s LYS 241 Ca 0.66 1.72 -0.11 0.00 -1.00 0.00 0.00 55.97 57.24 1rrl s LYS 241 Cb -0.22 -1.83 0.09 0.00 -2.06 0.00 0.00 37.83 33.81 1rrl s LYS 241 CO 0.58 -1.86 1.10 -1.25 0.10 0.00 0.00 175.35 174.02 1rrl s PRO 242 N -3.98 1.80 0.72 1.78 0.04 -1.26 -0.88 135.00 133.22 1rrl s PRO 242 Ca 0.73 1.16 -0.15 0.00 0.04 0.00 0.00 61.00 62.77 1rrl s PRO 242 Cb -0.28 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.44 1rrl s PRO 242 CO 0.46 -1.96 1.22 0.99 0.04 0.00 0.00 177.00 177.75 1rrl s THR 243 N -2.86 2.26 0.12 1.26 2.01 -0.39 -4.37 115.64 113.67 1rrl s THR 243 Ca 0.63 0.13 -0.10 0.00 0.31 0.00 0.00 61.69 62.66 1rrl s THR 243 Cb -0.18 -2.76 -0.14 0.00 0.01 0.00 0.00 72.50 69.43 1rrl s THR 243 CO 0.57 -0.06 1.34 0.03 -0.69 0.00 0.00 174.62 175.81 1rrl h ARG 244 N -0.17 0.72 0.00 4.92 -0.00 -1.95 -3.36 114.38 114.55 1rrl h ARG 244 Ca -0.48 -0.58 -0.07 0.00 -0.50 0.00 0.00 59.98 58.35 1rrl h ARG 244 Cb 1.30 0.12 -0.01 0.00 0.00 0.00 0.00 29.97 31.38 1rrl h ARG 244 CO 0.50 1.19 -0.36 0.87 0.00 0.00 0.00 179.97 182.18 1rrl h LYS 245 N 0.50 0.00 -3.47 0.04 1.79 -1.94 -3.41 116.57 110.07 1rrl h LYS 245 Ca -0.04 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.91 1rrl h LYS 245 Cb 1.36 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.61 1rrl h LYS 245 CO 0.15 0.31 -0.76 0.34 -1.08 0.00 0.00 179.45 178.41 1rrl s ASP 246 N -6.34 3.00 0.54 0.86 3.68 -1.26 -5.00 116.67 112.15 1rrl s ASP 246 Ca 0.05 -0.90 0.32 0.00 2.13 0.00 0.00 52.55 54.14 1rrl s ASP 246 Cb 0.07 -0.58 1.49 0.00 -1.45 0.00 0.00 42.92 42.45 1rrl s ASP 246 CO 0.72 -0.33 2.05 1.55 0.13 0.00 0.00 175.17 179.30 1rrl h PRO 247 N 8.25 0.00 -0.01 4.34 0.13 -1.81 -2.79 132.00 140.11 1rrl h PRO 247 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1rrl h PRO 247 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1rrl h PRO 247 CO 0.35 0.08 -0.05 0.09 -0.23 0.00 0.00 178.00 178.24 1rrl n ASN 248 N -3.33 0.61 -4.55 1.44 3.02 -1.26 -4.73 115.26 106.47 1rrl n ASN 248 Ca -0.01 -0.93 -0.29 0.00 -0.03 0.00 0.00 54.58 53.32 1rrl n ASN 248 Cb 0.27 -0.03 -0.10 0.00 -0.61 0.00 0.00 39.78 39.30 1rrl n ASN 248 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1rrl s SER 249 N -2.22 4.17 -0.14 6.41 0.01 -1.05 -4.84 113.70 116.04 1rrl s SER 249 Ca 0.36 -0.51 -0.16 0.00 1.31 0.00 0.00 55.95 56.95 1rrl s SER 249 Cb 0.21 -0.70 -0.04 0.00 0.21 0.00 0.00 66.02 65.70 1rrl s SER 249 CO 0.41 0.15 0.37 -0.70 0.41 0.00 0.00 173.24 173.88 1rrl s GLU 250 N -2.41 4.28 0.24 12.44 2.12 0.37 -1.27 118.70 134.47 1rrl s GLU 250 Ca 0.21 0.25 -0.27 0.00 0.36 0.00 0.00 54.97 55.53 1rrl s GLU 250 Cb -0.10 -3.42 -0.17 0.00 0.26 0.00 0.00 34.13 30.70 1rrl s GLU 250 CO 0.13 0.22 0.47 -1.13 -0.54 0.00 0.00 175.26 174.41 1rrl n SER 251 N 3.56 -1.42 -4.84 -1.70 3.41 -0.06 -4.64 113.62 107.94 1rrl n SER 251 Ca -0.10 1.08 -0.34 0.00 -0.26 0.00 0.00 58.87 59.25 1rrl n SER 251 Cb 0.52 -0.95 -0.06 0.00 -0.26 0.00 0.00 64.21 63.46 1rrl n SER 251 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1rrl s ARG 252 N -1.02 4.07 0.03 4.33 1.81 -1.26 -4.89 118.95 122.01 1rrl s ARG 252 Ca 0.63 0.65 -0.08 0.00 -1.72 0.00 0.00 55.73 55.22 1rrl s ARG 252 Cb -0.87 -2.74 -0.00 0.00 -0.45 0.00 0.00 34.95 30.88 1rrl s ARG 252 CO 0.57 0.34 0.15 0.45 -0.68 0.00 0.00 175.30 176.13 1rrl s SER 253 N -1.92 0.09 0.39 0.23 0.15 -1.26 -5.03 113.70 106.35 1rrl s SER 253 Ca 0.45 -0.42 0.23 0.00 0.70 0.00 0.00 55.95 56.91 1rrl s SER 253 Cb -0.14 0.25 0.26 0.00 -1.71 0.00 0.00 66.02 64.69 1rrl s SER 253 CO 0.20 -0.52 1.49 0.78 1.20 0.00 0.00 173.24 176.39 1rrl h ASN 254 N 3.63 0.00 -3.91 5.45 -0.26 -2.01 -3.40 115.58 115.08 1rrl h ASN 254 Ca -0.32 0.00 -0.71 0.00 -0.56 0.00 0.00 56.30 54.70 1rrl h ASN 254 Cb 1.19 0.00 -0.33 0.00 -1.06 0.00 0.00 38.32 38.12 1rrl h ASN 254 CO 0.48 0.01 -0.31 -1.81 -1.06 0.00 0.00 177.43 174.73 1rrl s ASP 255 N -6.03 5.54 -0.30 5.81 1.01 -1.26 -5.05 116.67 116.39 1rrl s ASP 255 Ca 0.05 -2.63 -0.28 0.00 0.71 0.00 0.00 52.55 50.41 1rrl s ASP 255 Cb 0.06 -1.93 0.01 0.00 1.01 0.00 0.00 42.92 42.07 1rrl s ASP 255 CO 0.70 -0.46 1.01 -0.69 0.21 0.00 0.00 175.17 175.93 1rrl s VAL 256 N 0.28 4.61 0.30 -1.27 1.01 -1.26 -5.00 120.40 119.06 1rrl s VAL 256 Ca 0.15 1.69 -0.29 0.00 0.00 0.00 0.00 61.98 63.52 1rrl s VAL 256 Cb -0.20 -4.33 -0.10 0.00 0.00 0.00 0.00 36.38 31.75 1rrl s VAL 256 CO -0.04 -0.36 1.41 -0.47 0.00 0.00 0.00 175.10 175.64 1rrl s TYR 257 N 3.40 2.94 0.08 5.22 6.14 -1.26 -4.99 117.35 128.89 1rrl s TYR 257 Ca 0.42 1.17 0.04 0.00 0.64 0.00 0.00 57.07 59.35 1rrl s TYR 257 Cb -0.13 -3.82 -0.03 0.00 0.42 0.00 0.00 41.96 38.40 1rrl s TYR 257 CO 0.13 -2.48 -0.11 -0.48 0.64 0.00 0.00 175.55 173.24 1rrl s LEU 258 N -1.17 2.35 0.28 6.97 0.05 -1.26 -4.81 118.68 121.09 1rrl s LEU 258 Ca 0.55 -0.71 -0.30 0.00 0.05 0.00 0.00 54.13 53.71 1rrl s LEU 258 Cb -0.42 -0.35 -0.12 0.00 -2.05 0.00 0.00 46.19 43.24 1rrl s LEU 258 CO 0.50 -0.20 1.50 -2.65 -0.55 0.00 0.00 176.35 174.96 1rrl n PRO 259 N 0.90 2.42 -0.21 1.48 -0.02 -1.26 -4.84 135.00 133.46 1rrl n PRO 259 Ca -0.19 0.86 0.15 0.00 -2.02 0.00 0.00 63.50 62.30 1rrl n PRO 259 Cb 0.56 -2.58 0.46 0.00 -0.02 0.00 0.00 33.50 31.92 1rrl n PRO 259 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1rrl h ARG 260 N 4.36 0.50 -0.02 -0.52 9.65 -1.49 -0.61 114.38 126.25 1rrl h ARG 260 Ca -0.46 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 1rrl h ARG 260 Cb 1.25 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.72 1rrl h ARG 260 CO 0.76 0.33 0.00 -0.25 2.80 0.00 0.00 179.97 183.61 1rrl n ASP 261 N -4.51 1.45 0.13 -3.80 8.00 -1.26 -1.92 116.55 114.64 1rrl n ASP 261 Ca 0.16 -1.49 0.13 0.00 0.71 0.00 0.00 54.79 54.30 1rrl n ASP 261 Cb 0.53 -0.01 0.34 0.00 -0.02 0.00 0.00 41.12 41.96 1rrl n ASP 261 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1rrl h GLU 262 N 2.25 0.00 -5.22 -1.24 4.39 -1.45 -3.44 114.58 109.88 1rrl h GLU 262 Ca 0.00 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.06 1rrl h GLU 262 Cb 0.48 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 28.98 1rrl h GLU 262 CO 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 179.01 177.78 1rrl s ALA 263 N -3.13 3.49 -0.26 3.43 0.00 -0.81 -4.14 121.76 120.34 1rrl s ALA 263 Ca 0.10 -0.99 -0.16 0.00 0.00 0.00 0.00 51.96 50.90 1rrl s ALA 263 Cb 0.11 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.21 1rrl s ALA 263 CO 0.62 -1.15 0.44 -0.06 0.00 0.00 0.00 175.76 175.62 1rrl s PHE 264 N 2.35 3.27 0.94 0.00 0.40 -1.26 -5.05 117.98 118.63 1rrl s PHE 264 Ca 0.18 0.54 -0.15 0.00 -0.60 0.00 0.00 56.93 56.90 1rrl s PHE 264 Cb -0.16 -2.64 0.19 0.00 0.51 0.00 0.00 43.02 40.92 1rrl s PHE 264 CO 0.13 -0.23 1.31 0.20 0.70 0.00 0.00 175.22 177.32 1rrl s GLY 265 N 1.53 1.76 0.15 4.36 0.00 -1.26 -5.06 107.32 108.80 1rrl s GLY 265 Ca 0.18 -1.16 -0.10 0.00 0.00 0.00 0.00 44.72 43.65 1rrl s GLY 265 CO 0.09 -0.42 0.29 0.30 0.00 0.00 0.00 173.10 173.36 1rrl s HIS 266 N -3.85 0.27 -0.12 1.90 0.09 -1.08 -5.06 115.29 107.43 1rrl s HIS 266 Ca 0.73 -0.64 -0.09 0.00 -0.00 0.00 0.00 55.06 55.05 1rrl s HIS 266 Cb -0.05 -0.01 -0.26 0.00 -0.00 0.00 0.00 32.58 32.27 1rrl s HIS 266 CO 0.52 -0.69 0.38 -0.07 -0.00 0.00 0.00 174.74 174.88 1rrl h LEU 267 N 2.56 0.38 -9.75 0.89 4.07 -1.88 -3.36 115.31 108.22 1rrl h LEU 267 Ca -0.32 -0.89 -0.65 0.00 0.08 0.00 0.00 57.88 56.10 1rrl h LEU 267 Cb 1.23 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 42.78 1rrl h LEU 267 CO 0.49 1.80 -0.49 -0.54 -1.08 0.00 0.00 178.44 178.63 1rrl s LYS 268 N -2.53 3.44 0.55 1.13 1.02 -1.26 -4.92 119.74 117.17 1rrl s LYS 268 Ca -0.23 -0.24 0.33 0.00 0.02 0.00 0.00 55.97 55.85 1rrl s LYS 268 Cb 0.06 -3.13 1.47 0.00 -0.52 0.00 0.00 37.83 35.71 1rrl s LYS 268 CO 0.75 0.71 2.03 0.66 -0.92 0.00 0.00 175.35 178.59 1rrl h SER 269 N 4.24 0.00 0.05 2.83 4.64 -1.80 -2.74 113.55 120.77 1rrl h SER 269 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1rrl h SER 269 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1rrl h SER 269 CO 0.65 0.05 0.00 -1.54 -0.87 0.00 0.00 176.83 175.12 1rrl n SER 270 N -3.22 0.00 -0.00 4.97 3.41 -1.26 -3.10 113.62 114.42 1rrl n SER 270 Ca -0.00 -0.88 0.09 0.00 -0.26 0.00 0.00 58.87 57.82 1rrl n SER 270 Cb 0.28 -0.03 -0.12 0.00 -0.26 0.00 0.00 64.21 64.09 1rrl n SER 270 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1rrl n ASP 271 N -1.03 0.80 -4.58 4.04 8.00 -1.03 -4.65 116.55 118.11 1rrl n ASP 271 Ca 0.22 -0.70 -0.31 0.00 0.71 0.00 0.00 54.79 54.71 1rrl n ASP 271 Cb 0.12 1.23 -0.05 0.00 -0.02 0.00 0.00 41.12 42.40 1rrl n ASP 271 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1rrl s PHE 272 N -2.92 2.13 0.09 1.24 0.40 -1.18 -4.75 117.98 112.99 1rrl s PHE 272 Ca 0.03 0.01 -0.08 0.00 -0.60 0.00 0.00 56.93 56.30 1rrl s PHE 272 Cb 0.14 -4.17 -0.22 0.00 0.51 0.00 0.00 43.02 39.28 1rrl s PHE 272 CO 0.78 -1.36 1.18 -0.07 0.70 0.00 0.00 175.22 176.45 1rrl h LEU 273 N 16.60 0.63 -0.87 -0.37 4.07 -1.90 -2.60 115.31 130.87 1rrl h LEU 273 Ca 0.26 -0.58 0.11 0.00 0.08 0.00 0.00 57.88 57.76 1rrl h LEU 273 Cb 0.93 -0.20 -0.08 0.00 1.08 0.00 0.00 40.66 42.39 1rrl h LEU 273 CO 1.28 1.41 0.50 0.71 -1.08 0.00 0.00 178.44 181.25 1rrl h THR 274 N 0.20 0.87 -0.44 0.22 1.35 -1.95 0.24 112.91 113.40 1rrl h THR 274 Ca -0.14 -0.27 -0.12 0.00 -0.55 0.00 0.00 66.41 65.33 1rrl h THR 274 Cb 1.82 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 1rrl h THR 274 CO 0.20 0.14 -0.20 0.22 -0.25 0.00 0.00 175.52 175.64 1rrl h TYR 275 N 0.79 1.04 -0.38 4.73 3.20 -1.94 0.23 116.97 124.65 1rrl h TYR 275 Ca 0.44 -0.25 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 1rrl h TYR 275 Cb 0.46 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1rrl h TYR 275 CO -0.06 1.04 0.19 0.78 -1.64 0.00 0.00 178.16 178.48 1rrl h GLY 276 N 0.74 0.59 0.49 1.82 0.00 -1.04 0.83 103.07 106.50 1rrl h GLY 276 Ca 0.10 -0.28 0.06 0.00 0.00 0.00 0.00 47.33 47.20 1rrl h GLY 276 CO 0.06 0.27 -0.00 1.41 0.00 0.00 0.00 176.54 178.28 1rrl h LEU 277 N 0.49 -0.13 -1.14 3.11 -0.00 -0.25 -1.64 115.31 115.74 1rrl h LEU 277 Ca 0.13 0.07 -0.03 0.00 -0.00 0.00 0.00 57.88 58.05 1rrl h LEU 277 Cb 0.10 0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 40.86 1rrl h LEU 277 CO -0.02 -0.03 0.22 0.50 -0.00 0.00 0.00 178.44 179.11 1rrl h LYS 278 N 0.09 0.83 -0.12 1.13 3.64 -0.06 -2.64 116.57 119.44 1rrl h LYS 278 Ca 0.16 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1rrl h LYS 278 Cb 0.21 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1rrl h LYS 278 CO -0.26 0.69 -0.02 1.03 -2.27 0.00 0.00 179.45 178.61 1rrl h SER 279 N 0.82 0.16 -0.28 4.20 0.87 0.11 -2.11 113.55 117.32 1rrl h SER 279 Ca 0.19 -0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 1rrl h SER 279 Cb 0.17 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1rrl h SER 279 CO -0.02 0.21 -0.12 0.58 -0.53 0.00 0.00 176.83 176.96 1rrl h VAL 280 N 0.17 1.29 -0.05 2.23 2.07 -0.93 -0.14 116.25 120.89 1rrl h VAL 280 Ca 0.04 -1.19 -0.22 0.00 0.82 0.00 0.00 66.70 66.15 1rrl h VAL 280 Cb 0.16 1.49 0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1rrl h VAL 280 CO 0.00 0.38 -0.88 0.28 0.02 0.00 0.00 177.57 177.37 1rrl h SER 281 N 0.31 0.70 0.36 0.57 0.02 -1.49 -0.01 113.55 114.01 1rrl h SER 281 Ca 0.06 -0.51 -0.13 0.00 -0.84 0.00 0.00 61.79 60.37 1rrl h SER 281 Cb 0.62 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1rrl h SER 281 CO 0.04 1.30 -1.76 0.00 -1.14 0.00 0.00 176.83 175.27 1rrl n GLN 282 N -3.84 0.65 -0.02 3.45 6.02 -0.80 -4.51 117.38 118.33 1rrl n GLN 282 Ca -0.07 0.01 -0.04 0.00 -0.01 0.00 0.00 57.00 56.90 1rrl n GLN 282 Cb 0.79 -1.65 -0.01 0.00 1.02 0.00 0.00 30.24 30.39 1rrl n GLN 282 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1rrl n ASN 283 N -2.61 0.40 0.40 1.08 3.02 -0.17 -4.72 115.26 112.65 1rrl n ASN 283 Ca -0.11 0.04 -0.16 0.00 -0.03 0.00 0.00 54.58 54.32 1rrl n ASN 283 Cb 0.77 -0.10 -0.08 0.00 -0.61 0.00 0.00 39.78 39.76 1rrl n ASN 283 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1rrl h VAL 284 N -0.12 0.00 -0.86 2.41 2.07 -1.15 -3.22 116.25 115.39 1rrl h VAL 284 Ca -0.09 -0.21 0.08 0.00 0.82 0.00 0.00 66.70 67.30 1rrl h VAL 284 Cb 1.08 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.74 1rrl h VAL 284 CO -0.05 0.00 -0.50 -0.11 0.02 0.00 0.00 177.57 176.93 1rrl n LEU 285 N -5.40 -0.89 0.11 2.57 0.00 -0.03 -0.72 117.00 112.64 1rrl n LEU 285 Ca -0.13 1.53 0.12 0.00 0.00 0.00 0.00 56.01 57.53 1rrl n LEU 285 Cb 0.41 -0.20 0.46 0.00 0.00 0.00 0.00 43.42 44.09 1rrl n LEU 285 CO 0.31 -1.25 0.87 -0.81 0.00 0.00 0.00 177.39 176.51 1rrl n PRO 286 N -5.08 0.21 0.07 1.96 -0.04 -1.26 0.13 135.00 130.99 1rrl n PRO 286 Ca 0.02 0.32 0.02 0.00 -0.04 0.00 0.00 63.50 63.83 1rrl n PRO 286 Cb 0.23 -1.82 -0.04 0.00 -0.04 0.00 0.00 33.50 31.82 1rrl n PRO 286 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1rrl h LEU 287 N 0.00 0.00 0.07 1.53 4.07 -1.26 -2.83 115.31 116.89 1rrl h LEU 287 Ca 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.81 1rrl h LEU 287 Cb 0.51 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.27 1rrl h LEU 287 CO 0.00 0.46 -0.62 -0.07 -1.08 0.00 0.00 178.44 177.13 1rrl h LEU 288 N 0.00 0.43 -0.51 1.67 4.07 0.34 -2.98 115.31 118.33 1rrl h LEU 288 Ca -0.10 -0.87 0.10 0.00 0.08 0.00 0.00 57.88 57.09 1rrl h LEU 288 Cb 1.44 -0.14 -0.10 0.00 1.08 0.00 0.00 40.66 42.95 1rrl h LEU 288 CO 0.04 1.26 -0.18 -0.61 -1.08 0.00 0.00 178.44 177.88 1rrl h GLN 289 N -0.34 -0.06 -0.70 1.13 4.15 0.98 -1.36 115.11 118.91 1rrl h GLN 289 Ca -0.10 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.44 1rrl h GLN 289 Cb 1.42 0.01 -0.12 0.00 0.21 0.00 0.00 27.48 29.00 1rrl h GLN 289 CO 0.12 -0.04 -0.38 0.77 -1.93 0.00 0.00 178.83 177.37 1rrl h SER 290 N -0.06 -1.33 -0.39 -0.69 0.02 -1.59 0.31 113.55 109.81 1rrl h SER 290 Ca 0.24 0.26 0.03 0.00 -0.84 0.00 0.00 61.79 61.48 1rrl h SER 290 Cb 0.43 0.66 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 1rrl h SER 290 CO -0.56 -0.31 0.26 0.00 -1.14 0.00 0.00 176.83 175.09 1rrl h ALA 291 N 1.00 1.85 0.07 3.77 0.00 -1.11 -2.00 119.26 122.84 1rrl h ALA 291 Ca 0.25 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.94 1rrl h ALA 291 Cb 0.56 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.26 1rrl h ALA 291 CO -0.77 0.10 -0.81 0.74 0.00 0.00 0.00 179.25 178.51 1rrl h PHE 292 N 0.41 0.69 0.21 0.00 -1.00 -0.75 -1.62 116.94 114.89 1rrl h PHE 292 Ca 0.16 -0.42 -0.01 0.00 2.81 0.00 0.00 57.97 60.51 1rrl h PHE 292 Cb 0.13 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.63 1rrl h PHE 292 CO -0.00 1.27 -0.10 -0.44 -1.61 0.00 0.00 178.31 177.43 1rrl h ASP 293 N -0.08 -0.23 -4.28 2.17 3.32 -0.57 -3.41 116.42 113.34 1rrl h ASP 293 Ca -0.12 -0.24 -0.51 0.00 0.02 0.00 0.00 57.03 56.18 1rrl h ASP 293 Cb 1.55 0.06 0.11 0.00 0.22 0.00 0.00 39.33 41.27 1rrl h ASP 293 CO 0.16 0.30 0.35 -0.76 -1.72 0.00 0.00 179.24 177.56 1rrl s LEU 294 N -8.95 3.19 -1.00 1.55 1.43 -0.79 -4.92 118.68 109.19 1rrl s LEU 294 Ca -0.10 1.82 -0.01 0.00 -1.03 0.00 0.00 54.13 54.80 1rrl s LEU 294 Cb 0.00 -4.52 0.32 0.00 0.03 0.00 0.00 46.19 42.02 1rrl s LEU 294 CO 0.37 -1.72 1.67 0.59 0.23 0.00 0.00 176.35 177.50 1rrl n ASN 295 N -3.02 6.89 0.04 2.29 3.02 -1.26 -4.52 115.26 118.70 1rrl n ASN 295 Ca 0.09 -3.63 0.12 0.00 -0.03 0.00 0.00 54.58 51.13 1rrl n ASN 295 Cb 0.53 -1.13 0.12 0.00 -0.61 0.00 0.00 39.78 38.69 1rrl n ASN 295 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1rrl n PHE 296 N 0.22 0.41 -3.81 3.10 3.72 -0.66 -4.84 117.46 115.60 1rrl n PHE 296 Ca 0.41 0.12 -0.12 0.00 -0.05 0.00 0.00 57.45 57.81 1rrl n PHE 296 Cb 0.29 -0.55 -0.11 0.00 -0.94 0.00 0.00 39.48 38.17 1rrl n PHE 296 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1rrl s THR 297 N -3.17 0.02 0.27 4.37 2.01 -0.87 -4.79 115.64 113.49 1rrl s THR 297 Ca 0.06 -0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.59 1rrl s THR 297 Cb 0.14 -0.36 -0.13 0.00 0.01 0.00 0.00 72.50 72.16 1rrl s THR 297 CO 0.75 -0.09 1.39 -2.65 -0.69 0.00 0.00 174.62 173.33 1rrl n PRO 298 N 2.55 2.12 -0.32 4.92 -0.02 -1.26 -4.61 135.00 138.38 1rrl n PRO 298 Ca -0.15 0.75 0.05 0.00 -2.02 0.00 0.00 63.50 62.13 1rrl n PRO 298 Cb 0.58 -2.40 0.21 0.00 -0.02 0.00 0.00 33.50 31.86 1rrl n PRO 298 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1rrl h ARG 299 N 3.81 0.80 -5.48 -0.52 2.43 -1.96 -3.46 114.38 110.01 1rrl h ARG 299 Ca -0.45 -0.05 -0.43 0.00 -0.81 0.00 0.00 59.98 58.24 1rrl h ARG 299 Cb 1.27 -0.18 -0.16 0.00 -0.42 0.00 0.00 29.97 30.48 1rrl h ARG 299 CO 0.72 0.53 -0.74 -1.21 -1.51 0.00 0.00 179.97 177.76 1rrl s GLU 300 N -5.99 1.18 0.25 0.20 2.02 -1.26 -4.11 118.70 110.99 1rrl s GLU 300 Ca -0.12 -1.43 -0.30 0.00 0.02 0.00 0.00 54.97 53.14 1rrl s GLU 300 Cb 0.21 -0.99 -0.09 0.00 0.10 0.00 0.00 34.13 33.36 1rrl s GLU 300 CO 0.79 0.17 1.03 -0.06 0.02 0.00 0.00 175.26 177.21 1rrl s PHE 301 N -2.65 3.77 -0.29 1.61 0.08 -1.26 -4.98 117.98 114.25 1rrl s PHE 301 Ca 0.16 1.79 0.10 0.00 0.12 0.00 0.00 56.93 59.10 1rrl s PHE 301 Cb -0.02 -3.14 -0.12 0.00 -0.57 0.00 0.00 43.02 39.16 1rrl s PHE 301 CO 0.04 -0.09 0.34 -0.25 -0.10 0.00 0.00 175.22 175.16 1rrl n ASP 302 N 1.44 1.30 -3.54 1.36 8.00 -1.26 -4.85 116.55 118.99 1rrl n ASP 302 Ca -0.01 -0.46 -0.16 0.00 0.71 0.00 0.00 54.79 54.87 1rrl n ASP 302 Cb 0.46 1.17 -0.06 0.00 -0.02 0.00 0.00 41.12 42.67 1rrl n ASP 302 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1rrl s SER 303 N -2.36 -0.55 0.45 -2.24 1.04 -1.26 -4.43 113.70 104.36 1rrl s SER 303 Ca 0.01 0.42 0.13 0.00 0.48 0.00 0.00 55.95 56.99 1rrl s SER 303 Cb 0.07 0.51 1.05 0.00 0.10 0.00 0.00 66.02 67.75 1rrl s SER 303 CO 0.40 -0.67 2.03 -0.26 0.98 0.00 0.00 173.24 175.71 1rrl h PHE 304 N 2.89 0.36 -0.62 5.02 -1.00 -1.96 -1.60 116.94 120.02 1rrl h PHE 304 Ca -0.29 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.47 1rrl h PHE 304 Cb 1.19 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 40.60 1rrl h PHE 304 CO 0.37 0.19 0.27 -0.44 -1.61 0.00 0.00 178.31 177.09 1rrl h ASP 305 N 0.35 0.81 0.28 2.17 3.32 -1.98 -1.45 116.42 119.92 1rrl h ASP 305 Ca 0.20 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1rrl h ASP 305 Cb 0.35 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1rrl h ASP 305 CO -0.05 0.71 -0.15 -0.33 -1.72 0.00 0.00 179.24 177.71 1rrl h GLU 306 N 0.89 0.00 -0.15 3.56 5.08 -1.69 0.19 114.58 122.46 1rrl h GLU 306 Ca 0.21 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.43 1rrl h GLU 306 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1rrl h GLU 306 CO -0.02 0.15 -0.47 0.28 -1.00 0.00 0.00 179.01 177.94 1rrl h VAL 307 N 0.00 1.34 0.00 3.13 2.07 -1.26 -2.97 116.25 118.56 1rrl h VAL 307 Ca -0.00 -1.75 -0.02 0.00 0.82 0.00 0.00 66.70 65.75 1rrl h VAL 307 Cb 0.33 2.04 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1rrl h VAL 307 CO 0.02 0.53 -0.11 0.45 0.02 0.00 0.00 177.57 178.49 1rrl h HIS 308 N 0.22 0.00 -0.17 1.57 3.86 -0.88 -2.47 115.15 117.28 1rrl h HIS 308 Ca -0.02 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.24 1rrl h HIS 308 Cb 1.10 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.56 1rrl h HIS 308 CO 0.10 0.11 0.45 0.78 0.86 0.00 0.00 177.93 180.23 1rrl h GLY 309 N 0.72 0.00 2.00 2.45 0.00 -0.46 -2.23 103.07 105.55 1rrl h GLY 309 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1rrl h GLY 309 CO 0.01 0.00 -0.30 1.41 0.00 0.00 0.00 176.54 177.67 1rrl h LEU 310 N 0.00 0.00 0.00 3.11 3.38 -1.57 0.42 115.31 120.66 1rrl h LEU 310 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1rrl h LEU 310 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1rrl h LEU 310 CO -0.00 0.30 -0.95 -1.22 0.09 0.00 0.00 178.44 176.66 1rrl n TYR 311 N -3.59 0.05 0.00 1.13 0.53 -0.84 -1.68 117.16 112.76 1rrl n TYR 311 Ca -0.01 0.02 0.00 0.00 -1.02 0.00 0.00 57.90 56.89 1rrl n TYR 311 Cb 0.43 -0.18 0.00 0.00 -1.03 0.00 0.00 39.34 38.56 1rrl n TYR 311 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 1rrl n SER 312 N -1.64 0.00 0.28 7.72 2.88 -1.19 -4.61 113.62 117.06 1rrl n SER 312 Ca 0.03 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.74 1rrl n SER 312 Cb 0.37 0.00 0.73 0.00 -0.75 0.00 0.00 64.21 64.56 1rrl n SER 312 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1rrl h GLY 313 N 0.00 0.00 -0.06 0.46 0.00 -1.84 -3.48 103.07 98.16 1rrl h GLY 313 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1rrl h GLY 313 CO 0.00 0.00 -0.01 0.61 0.00 0.00 0.00 176.54 177.14 1rrl n GLY 314 N -0.14 -1.49 3.64 4.60 0.00 0.15 -4.62 105.19 107.33 1rrl n GLY 314 Ca -0.00 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 1rrl n GLY 314 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1rrl s ILE 315 N -0.05 4.98 0.06 -0.61 2.07 0.53 -4.74 121.20 123.43 1rrl s ILE 315 Ca 0.00 1.19 -0.31 0.00 -1.41 0.00 0.00 60.65 60.13 1rrl s ILE 315 Cb 0.00 -3.96 -0.08 0.00 0.13 0.00 0.00 42.46 38.56 1rrl s ILE 315 CO 0.00 0.04 1.60 -0.75 -1.91 0.00 0.00 174.94 173.91 1rrl s LYS 316 N 2.40 4.22 -0.06 3.50 2.20 -1.22 -1.55 119.74 129.22 1rrl s LYS 316 Ca 0.28 2.26 -0.05 0.00 -0.36 0.00 0.00 55.97 58.09 1rrl s LYS 316 Cb -0.16 -3.58 0.02 0.00 -1.51 0.00 0.00 37.83 32.60 1rrl s LYS 316 CO 0.09 -0.70 0.16 -1.17 -0.36 0.00 0.00 175.35 173.37 1rrl s LEU 317 N 2.54 1.37 0.39 5.43 2.96 -1.06 -4.83 118.68 125.48 1rrl s LEU 317 Ca 0.72 0.32 -0.25 0.00 -0.22 0.00 0.00 54.13 54.69 1rrl s LEU 317 Cb -0.38 0.53 -0.11 0.00 0.50 0.00 0.00 46.19 46.73 1rrl s LEU 317 CO 0.31 -0.06 1.04 -0.81 -1.32 0.00 0.00 176.35 175.51 1rrl n PRO 318 N 3.05 1.43 -0.14 0.98 -0.04 -1.26 -4.35 135.00 134.66 1rrl n PRO 318 Ca -0.13 0.51 -0.02 0.00 -0.04 0.00 0.00 63.50 63.82 1rrl n PRO 318 Cb 0.59 -2.04 0.22 0.00 -0.04 0.00 0.00 33.50 32.22 1rrl n PRO 318 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1rrl h THR 319 N 1.70 1.21 0.00 0.52 1.35 -1.98 -1.65 112.91 114.06 1rrl h THR 319 Ca -0.44 -0.67 -0.09 0.00 -0.55 0.00 0.00 66.41 64.66 1rrl h THR 319 Cb 1.33 0.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.27 1rrl h THR 319 CO 0.58 0.27 -0.43 -2.24 -0.25 0.00 0.00 175.52 173.45 1rrl h ASP 320 N 0.84 0.00 -0.21 5.36 2.03 -1.97 0.25 116.42 122.71 1rrl h ASP 320 Ca 0.20 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.30 1rrl h ASP 320 Cb 0.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.68 1rrl h ASP 320 CO -0.02 0.43 -0.65 0.40 -1.03 0.00 0.00 179.24 178.37 1rrl h ILE 321 N 0.00 1.28 -0.16 4.15 2.04 -1.78 -2.39 117.51 120.65 1rrl h ILE 321 Ca -0.00 -1.84 -0.14 0.00 1.00 0.00 0.00 64.86 63.88 1rrl h ILE 321 Cb 0.83 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 1rrl h ILE 321 CO 0.06 0.59 -0.50 0.40 0.00 0.00 0.00 178.15 178.70 1rrl h ILE 322 N 0.61 1.33 0.00 -0.67 1.08 -0.89 -2.23 117.51 116.74 1rrl h ILE 322 Ca -0.01 -1.73 -0.05 0.00 -0.39 0.00 0.00 64.86 62.68 1rrl h ILE 322 Cb 1.27 1.75 -0.01 0.00 -3.07 0.00 0.00 36.82 36.76 1rrl h ILE 322 CO 0.14 0.53 -0.23 0.28 -0.69 0.00 0.00 178.15 178.18 1rrl h SER 323 N 0.33 0.00 1.02 1.72 0.02 -0.42 -1.54 113.55 114.69 1rrl h SER 323 Ca 0.02 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.85 1rrl h SER 323 Cb 0.99 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 1rrl h SER 323 CO 0.09 0.23 -1.04 0.11 -1.14 0.00 0.00 176.83 175.08 1rrl h LYS 324 N 0.00 0.00 -0.00 3.45 1.57 -0.89 -3.38 116.57 117.32 1rrl h LYS 324 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rrl h LYS 324 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1rrl h LYS 324 CO 0.03 0.29 -0.71 0.44 -0.57 0.00 0.00 179.45 178.93 1rrl n ILE 325 N -2.96 0.00 0.07 1.86 -5.35 -0.82 -4.57 119.36 107.60 1rrl n ILE 325 Ca -0.04 -0.04 -0.21 0.00 -0.27 0.00 0.00 62.75 62.19 1rrl n ILE 325 Cb 0.75 0.71 -0.14 0.00 -1.74 0.00 0.00 39.64 39.23 1rrl n ILE 325 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1rrl h SER 326 N 0.35 0.69 -0.05 7.28 4.64 -1.48 -3.35 113.55 121.63 1rrl h SER 326 Ca 0.00 -0.86 0.00 0.00 -0.47 0.00 0.00 61.79 60.46 1rrl h SER 326 Cb 0.53 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1rrl h SER 326 CO 0.00 1.49 0.00 -0.81 -0.87 0.00 0.00 176.83 176.64 1rrl n PRO 327 N -3.96 1.14 -2.22 4.77 -0.04 -1.26 -4.54 135.00 128.89 1rrl n PRO 327 Ca -0.14 -0.21 -0.43 0.00 -0.04 0.00 0.00 63.50 62.69 1rrl n PRO 327 Cb 0.90 -1.12 -0.02 0.00 -0.04 0.00 0.00 33.50 33.21 1rrl n PRO 327 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1rrl s LEU 328 N -1.16 3.83 0.00 1.53 1.43 -1.26 -4.93 118.68 118.12 1rrl s LEU 328 Ca 0.11 1.39 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 1rrl s LEU 328 Cb 0.05 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1rrl s LEU 328 CO 0.08 -1.26 0.30 -2.65 0.23 0.00 0.00 176.35 173.05 1rrl n PRO 329 N 7.66 0.00 -0.02 1.29 -0.01 -1.26 -1.46 135.00 141.19 1rrl n PRO 329 Ca 0.18 0.30 -0.17 0.00 -0.01 0.00 0.00 63.50 63.79 1rrl n PRO 329 Cb 0.46 -0.46 -0.07 0.00 -0.01 0.00 0.00 33.50 33.42 1rrl n PRO 329 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 175.50 175.77 1rrl h VAL 330 N 0.00 1.28 0.00 -1.45 2.07 -1.85 -3.34 116.25 112.96 1rrl h VAL 330 Ca 0.00 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.56 1rrl h VAL 330 Cb 0.00 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1rrl h VAL 330 CO 0.00 0.62 0.00 0.18 0.02 0.00 0.00 177.57 178.39 1rrl n LEU 331 N -3.95 0.00 -0.06 2.57 4.32 -0.54 -2.51 117.00 116.83 1rrl n LEU 331 Ca -0.07 0.37 0.07 0.00 -0.02 0.00 0.00 56.01 56.36 1rrl n LEU 331 Cb 0.74 -0.37 0.44 0.00 -1.62 0.00 0.00 43.42 42.61 1rrl n LEU 331 CO 0.53 -0.21 1.18 0.50 -1.22 0.00 0.00 177.39 178.17 1rrl h LYS 332 N 0.00 0.53 0.00 3.23 1.63 -1.67 0.29 116.57 120.58 1rrl h LYS 332 Ca 0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1rrl h LYS 332 Cb 0.16 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 1rrl h LYS 332 CO 0.00 0.35 -0.69 1.49 -3.45 0.00 0.00 179.45 177.15 1rrl h GLU 333 N 0.54 0.00 0.00 1.90 4.57 -1.80 -3.34 114.58 116.45 1rrl h GLU 333 Ca 0.22 0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 58.03 1rrl h GLU 333 Cb 0.18 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.71 1rrl h GLU 333 CO -0.06 0.00 -2.39 1.51 -1.18 0.00 0.00 179.01 176.89 1rrl n ILE 334 N -2.17 1.40 -3.85 2.32 0.00 -1.08 -4.90 119.36 111.08 1rrl n ILE 334 Ca 0.03 -0.66 -0.35 0.00 0.00 0.00 0.00 62.75 61.76 1rrl n ILE 334 Cb 0.45 -1.02 -0.08 0.00 0.00 0.00 0.00 39.64 38.99 1rrl n ILE 334 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1rrl s PHE 335 N -2.49 3.42 -0.07 9.51 0.08 0.10 -4.68 117.98 123.84 1rrl s PHE 335 Ca -0.24 0.33 0.00 0.00 0.12 0.00 0.00 56.93 57.14 1rrl s PHE 335 Cb 0.08 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 1rrl s PHE 335 CO 0.67 0.39 -0.05 1.03 -0.10 0.00 0.00 175.22 177.16 1rrl s ARG 336 N -0.06 2.81 -0.04 0.44 0.52 -1.21 -4.56 118.95 116.84 1rrl s ARG 336 Ca 0.09 -0.51 0.01 0.00 -0.52 0.00 0.00 55.73 54.80 1rrl s ARG 336 Cb -0.12 -2.64 0.02 0.00 0.52 0.00 0.00 34.95 32.74 1rrl s ARG 336 CO 0.00 0.67 -0.04 0.99 0.02 0.00 0.00 175.30 176.95 1rrl s THR 337 N -0.82 0.48 0.15 0.02 2.01 -1.26 -1.61 115.64 114.61 1rrl s THR 337 Ca 0.13 -0.08 -0.05 0.00 0.31 0.00 0.00 61.69 62.00 1rrl s THR 337 Cb -0.11 -0.52 -0.12 0.00 0.01 0.00 0.00 72.50 71.76 1rrl s THR 337 CO 0.02 0.22 1.40 -0.78 -0.69 0.00 0.00 174.62 174.78 1rrl h ASP 338 N 7.28 0.61 0.00 3.53 3.58 -1.97 -3.48 116.42 125.98 1rrl h ASP 338 Ca -0.37 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 56.67 1rrl h ASP 338 Cb 1.15 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.02 1rrl h ASP 338 CO 0.45 1.16 0.00 0.61 -2.88 0.00 0.00 179.24 178.59 1rrl n GLY 339 N 0.60 1.16 0.00 -0.78 0.00 -1.26 -5.07 105.19 99.84 1rrl n GLY 339 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1rrl n GLY 339 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1rrl n GLU 340 N 0.00 0.00 -0.30 1.61 4.07 -1.26 -4.98 120.64 119.78 1rrl n GLU 340 Ca 0.00 0.00 -0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1rrl n GLU 340 Cb 0.00 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1rrl n GLU 340 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1rrl n GLN 341 N 0.00 0.60 -3.79 5.31 6.02 -1.26 -4.84 117.38 119.41 1rrl n GLN 341 Ca 0.00 -0.01 -0.20 0.00 -0.01 0.00 0.00 57.00 56.78 1rrl n GLN 341 Cb 0.00 -1.21 -0.17 0.00 1.02 0.00 0.00 30.24 29.87 1rrl n GLN 341 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rrl s ALA 342 N 0.84 0.41 -0.30 -1.58 0.00 -1.26 -2.55 121.76 117.32 1rrl s ALA 342 Ca 0.01 0.08 -0.04 0.00 0.00 0.00 0.00 51.96 52.01 1rrl s ALA 342 Cb 0.00 -0.56 0.04 0.00 0.00 0.00 0.00 23.12 22.60 1rrl s ALA 342 CO 0.00 -0.34 0.03 -1.17 0.00 0.00 0.00 175.76 174.28 1rrl s LEU 343 N 1.71 3.85 0.29 0.00 1.98 -0.60 -4.00 118.68 121.91 1rrl s LEU 343 Ca -0.00 -1.07 0.08 0.00 -2.89 0.00 0.00 54.13 50.25 1rrl s LEU 343 Cb -0.13 -1.77 -0.04 0.00 0.66 0.00 0.00 46.19 44.92 1rrl s LEU 343 CO -0.03 -0.24 0.17 -0.54 -1.89 0.00 0.00 176.35 173.81 1rrl s LYS 344 N 1.34 2.63 0.08 1.98 1.02 -0.63 -0.35 119.74 125.82 1rrl s LYS 344 Ca -0.02 -1.29 0.07 0.00 0.02 0.00 0.00 55.97 54.75 1rrl s LYS 344 Cb -0.19 -2.38 -0.03 0.00 -0.52 0.00 0.00 37.83 34.72 1rrl s LYS 344 CO -0.00 0.26 -0.18 -0.06 -0.92 0.00 0.00 175.35 174.44 1rrl s PHE 345 N -2.28 1.59 0.38 3.18 0.08 -0.68 -3.31 117.98 116.95 1rrl s PHE 345 Ca 0.35 -0.42 -0.27 0.00 0.12 0.00 0.00 56.93 56.72 1rrl s PHE 345 Cb -0.06 -0.89 -0.09 0.00 -0.57 0.00 0.00 43.02 41.41 1rrl s PHE 345 CO 0.24 0.14 1.28 -1.25 -0.10 0.00 0.00 175.22 175.53 1rrl s PRO 346 N -1.75 4.08 0.20 0.24 0.04 -1.26 -4.20 135.00 132.35 1rrl s PRO 346 Ca 0.04 2.12 -0.32 0.00 0.04 0.00 0.00 61.00 62.88 1rrl s PRO 346 Cb -0.10 -2.83 -0.12 0.00 0.04 0.00 0.00 34.50 31.50 1rrl s PRO 346 CO 0.03 -0.38 1.71 -2.14 0.04 0.00 0.00 177.00 176.26 1rrl s PRO 347 N -2.13 4.14 0.69 0.56 0.02 -1.26 -4.90 135.00 132.12 1rrl s PRO 347 Ca 0.55 2.57 -0.12 0.00 0.02 0.00 0.00 61.00 64.02 1rrl s PRO 347 Cb -0.37 -3.12 0.01 0.00 0.02 0.00 0.00 34.50 31.04 1rrl s PRO 347 CO 0.48 -0.74 1.07 -1.25 -0.33 0.00 0.00 177.00 176.23 1rrl s PRO 348 N 1.27 2.85 0.29 5.54 0.05 -1.26 -4.91 135.00 138.84 1rrl s PRO 348 Ca 0.75 1.08 0.04 0.00 0.05 0.00 0.00 61.00 62.92 1rrl s PRO 348 Cb -0.49 -1.97 0.45 0.00 0.05 0.00 0.00 34.50 32.54 1rrl s PRO 348 CO 0.32 -1.18 1.72 0.87 0.05 0.00 0.00 177.00 178.78 1rrl h LYS 349 N -0.54 0.36 -0.99 4.56 1.57 -1.83 -2.02 116.57 117.69 1rrl h LYS 349 Ca -0.44 -0.15 0.29 0.00 -1.87 0.00 0.00 60.65 58.47 1rrl h LYS 349 Cb 1.22 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 1rrl h LYS 349 CO 0.55 0.65 0.86 -0.24 -0.57 0.00 0.00 179.45 180.70 1rrl h VAL 350 N 0.32 0.27 -0.01 0.50 3.04 -1.58 -2.86 116.25 115.93 1rrl h VAL 350 Ca 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.73 1rrl h VAL 350 Cb 0.72 0.36 0.00 0.00 -2.01 0.00 0.00 31.29 30.36 1rrl h VAL 350 CO 0.06 0.00 -0.09 2.30 -1.01 0.00 0.00 177.57 178.83 1rrl n ILE 351 N -3.81 0.00 0.28 3.17 -5.35 -0.77 -4.60 119.36 108.27 1rrl n ILE 351 Ca 0.21 -0.46 0.13 0.00 -0.27 0.00 0.00 62.75 62.37 1rrl n ILE 351 Cb 1.19 1.16 0.81 0.00 -1.74 0.00 0.00 39.64 41.05 1rrl n ILE 351 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1rrl h GLN 352 N 1.47 0.00 0.00 6.28 4.20 -1.34 -3.10 115.11 122.62 1rrl h GLN 352 Ca 0.00 0.00 -0.43 0.00 0.06 0.00 0.00 58.65 58.28 1rrl h GLN 352 Cb 0.36 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.07 1rrl h GLN 352 CO 0.00 0.06 -2.49 0.28 -0.67 0.00 0.00 178.83 176.02 1rrl n VAL 353 N -3.78 1.52 -3.99 -0.54 0.31 -1.26 -4.98 118.33 105.60 1rrl n VAL 353 Ca -0.02 -0.47 -0.20 0.00 -0.01 0.00 0.00 64.34 63.63 1rrl n VAL 353 Cb 0.16 -1.66 -0.17 0.00 -0.91 0.00 0.00 33.84 31.26 1rrl n VAL 353 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1rrl s SER 354 N -7.02 0.99 0.06 4.52 0.15 -1.17 -5.03 113.70 106.20 1rrl s SER 354 Ca -0.37 -0.09 0.28 0.00 0.70 0.00 0.00 55.95 56.47 1rrl s SER 354 Cb 0.12 -0.39 1.03 0.00 -1.71 0.00 0.00 66.02 65.07 1rrl s SER 354 CO 0.55 -0.10 1.82 0.29 1.20 0.00 0.00 173.24 176.99 1rrl n LYS 355 N 4.38 0.08 0.00 5.44 4.01 -1.25 -3.89 118.16 126.92 1rrl n LYS 355 Ca -0.20 0.06 0.00 0.00 -0.51 0.00 0.00 58.31 57.65 1rrl n LYS 355 Cb 0.50 -1.58 0.00 0.00 -0.51 0.00 0.00 35.03 33.44 1rrl n LYS 355 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1rrl n SER 356 N -1.71 0.67 0.09 4.39 3.41 -1.26 -4.71 113.62 114.50 1rrl n SER 356 Ca 0.06 -1.11 0.12 0.00 -0.26 0.00 0.00 58.87 57.68 1rrl n SER 356 Cb 0.37 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.77 1rrl n SER 356 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rrl n ALA 357 N -0.06 2.00 0.26 7.33 0.00 -1.25 -2.29 120.51 126.51 1rrl n ALA 357 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.54 1rrl n ALA 357 Cb 0.16 -1.42 0.68 0.00 0.00 0.00 0.00 19.45 18.87 1rrl n ALA 357 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1rrl h TRP 358 N 0.00 0.00 0.00 0.00 5.08 -1.84 -2.50 115.95 116.69 1rrl h TRP 358 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1rrl h TRP 358 Cb 0.53 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.69 1rrl h TRP 358 CO 0.00 0.05 0.00 0.52 -1.28 0.00 0.00 178.44 177.73 1rrl h MET 359 N 0.00 0.00 -7.21 0.12 2.86 -1.82 -3.38 114.93 105.50 1rrl h MET 359 Ca -0.00 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.15 1rrl h MET 359 Cb 0.10 0.00 0.07 0.00 0.06 0.00 0.00 31.60 31.82 1rrl h MET 359 CO 0.01 0.00 0.38 0.95 1.06 0.00 0.00 176.91 179.30 1rrl s THR 360 N -3.43 3.83 0.27 2.22 -4.23 -0.94 -4.95 115.64 108.41 1rrl s THR 360 Ca 0.03 0.85 0.07 0.00 -1.18 0.00 0.00 61.69 61.45 1rrl s THR 360 Cb 0.09 -3.39 -0.00 0.00 1.34 0.00 0.00 72.50 70.54 1rrl s THR 360 CO 0.40 -0.53 1.64 0.44 -0.54 0.00 0.00 174.62 176.03 1rrl h ASP 361 N 0.36 0.19 -0.24 3.99 3.32 -1.89 -1.95 116.42 120.20 1rrl h ASP 361 Ca -0.47 -0.10 -0.15 0.00 0.02 0.00 0.00 57.03 56.34 1rrl h ASP 361 Cb 1.22 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 1rrl h ASP 361 CO 0.57 0.68 -0.39 1.05 -1.72 0.00 0.00 179.24 179.44 1rrl h GLU 362 N 0.14 0.78 -0.10 3.56 4.11 -1.93 -0.54 114.58 120.61 1rrl h GLU 362 Ca 0.00 -0.40 -0.22 0.00 0.07 0.00 0.00 59.36 58.81 1rrl h GLU 362 Cb 0.97 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.23 1rrl h GLU 362 CO 0.08 1.03 -0.82 1.49 0.07 0.00 0.00 179.01 180.85 1rrl h GLU 363 N 0.64 0.65 -0.69 1.06 4.57 -1.79 0.19 114.58 119.21 1rrl h GLU 363 Ca 0.05 -0.57 0.11 0.00 -1.18 0.00 0.00 59.36 57.77 1rrl h GLU 363 Cb 0.94 0.13 -0.08 0.00 -0.16 0.00 0.00 28.75 29.59 1rrl h GLU 363 CO 0.09 1.18 0.30 0.35 -1.18 0.00 0.00 179.01 179.75 1rrl h PHE 364 N 0.43 0.53 -0.22 0.92 3.57 -1.08 -1.52 116.94 119.56 1rrl h PHE 364 Ca -0.06 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.27 1rrl h PHE 364 Cb 1.45 -0.13 0.01 0.00 2.79 0.00 0.00 35.95 40.06 1rrl h PHE 364 CO 0.08 0.14 -0.65 0.00 -2.23 0.00 0.00 178.31 175.65 1rrl h ALA 365 N 1.46 0.38 -0.16 2.41 0.00 -0.92 -3.35 119.26 119.07 1rrl h ALA 365 Ca 0.35 -0.55 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 1rrl h ALA 365 Cb 0.44 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1rrl h ALA 365 CO -0.32 0.66 -0.57 -0.09 0.00 0.00 0.00 179.25 178.93 1rrl h ARG 366 N 0.59 0.50 0.00 0.00 2.43 -0.30 0.60 114.38 118.20 1rrl h ARG 366 Ca -0.02 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1rrl h ARG 366 Cb 1.27 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1rrl h ARG 366 CO 0.14 0.93 0.00 0.39 -1.51 0.00 0.00 179.97 179.92 1rrl n GLU 367 N -3.94 0.09 0.17 0.20 1.02 -0.60 -0.17 120.64 117.42 1rrl n GLU 367 Ca -0.03 0.53 0.08 0.00 -0.02 0.00 0.00 57.16 57.72 1rrl n GLU 367 Cb 0.62 -1.76 0.09 0.00 -0.02 0.00 0.00 31.44 30.37 1rrl n GLU 367 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1rrl h MET 368 N 0.00 0.00 0.00 3.49 2.86 -1.01 -1.35 114.93 118.92 1rrl h MET 368 Ca 0.00 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.43 1rrl h MET 368 Cb 0.07 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 1rrl h MET 368 CO 0.00 0.19 -1.69 1.28 1.06 0.00 0.00 176.91 177.76 1rrl n LEU 369 N -3.10 0.64 -1.75 1.22 4.77 0.44 -4.23 117.00 114.99 1rrl n LEU 369 Ca 0.02 0.29 -0.01 0.00 -0.03 0.00 0.00 56.01 56.28 1rrl n LEU 369 Cb 0.62 0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.88 1rrl n LEU 369 CO 0.37 0.24 0.21 0.00 -1.33 0.00 0.00 177.39 176.88 1rrl n ALA 370 N -2.48 2.89 -2.65 -1.18 0.00 0.76 -2.85 120.51 115.00 1rrl n ALA 370 Ca -0.15 -1.75 0.00 0.00 0.00 0.00 0.00 53.44 51.54 1rrl n ALA 370 Cb 0.91 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1rrl n ALA 370 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rrl n GLY 371 N -0.12 5.42 0.31 0.00 0.00 -0.51 -4.84 105.19 105.45 1rrl n GLY 371 Ca -0.07 -2.00 0.14 0.00 0.00 0.00 0.00 46.02 44.10 1rrl n GLY 371 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1rrl h VAL 372 N 0.00 0.68 -2.62 1.61 3.04 -1.86 -3.33 116.25 113.77 1rrl h VAL 372 Ca 0.00 0.00 -0.60 0.00 -1.01 0.00 0.00 66.70 65.09 1rrl h VAL 372 Cb 0.00 0.92 -0.39 0.00 -2.01 0.00 0.00 31.29 29.81 1rrl h VAL 372 CO 0.00 0.00 -0.85 0.21 -1.01 0.00 0.00 177.57 175.92 1rrl s ASN 373 N -6.33 2.58 -0.57 3.17 2.47 -1.26 -4.57 114.94 110.42 1rrl s ASN 373 Ca -0.05 -3.04 0.01 0.00 0.42 0.00 0.00 52.86 50.20 1rrl s ASN 373 Cb 0.16 -0.74 0.44 0.00 -1.45 0.00 0.00 41.25 39.66 1rrl s ASN 373 CO 0.61 -0.19 1.75 -0.81 -3.72 0.00 0.00 177.10 174.74 1rrl n PRO 374 N 2.93 3.00 0.00 0.43 -0.04 -1.25 -4.53 135.00 135.54 1rrl n PRO 374 Ca 0.23 -3.64 0.00 0.00 -0.04 0.00 0.00 63.50 60.05 1rrl n PRO 374 Cb 0.42 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 1rrl n PRO 374 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1rrl n ASN 375 N -0.78 0.06 -0.06 3.54 4.05 -1.26 -4.76 115.26 116.04 1rrl n ASN 375 Ca 0.55 -0.95 -0.08 0.00 0.45 0.00 0.00 54.58 54.55 1rrl n ASN 375 Cb 0.69 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.64 1rrl n ASN 375 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1rrl n LEU 376 N -0.00 2.34 -4.58 1.20 4.32 -1.26 -5.03 117.00 113.98 1rrl n LEU 376 Ca 0.00 -0.06 -0.48 0.00 -0.02 0.00 0.00 56.01 55.45 1rrl n LEU 376 Cb 0.22 -0.31 -0.04 0.00 -1.62 0.00 0.00 43.42 41.68 1rrl n LEU 376 CO 0.00 0.62 0.72 0.00 -1.22 0.00 0.00 177.39 177.51 1rrl n ILE 377 N -2.78 1.02 -4.35 -0.08 0.13 -1.26 -4.78 119.36 107.26 1rrl n ILE 377 Ca -0.22 -0.26 -0.25 0.00 -1.10 0.00 0.00 62.75 60.93 1rrl n ILE 377 Cb 0.77 -0.90 -0.12 0.00 -0.84 0.00 0.00 39.64 38.55 1rrl n ILE 377 CO 0.00 0.00 0.00 -0.13 2.80 0.00 0.00 176.55 179.22 1rrl s ARG 378 N -0.51 1.31 0.07 9.51 0.52 0.59 -4.84 118.95 125.60 1rrl s ARG 378 Ca 0.71 -1.36 -0.31 0.00 -0.52 0.00 0.00 55.73 54.25 1rrl s ARG 378 Cb -0.82 -1.55 -0.06 0.00 0.52 0.00 0.00 34.95 33.03 1rrl s ARG 378 CO 0.53 0.34 1.26 0.00 0.02 0.00 0.00 175.30 177.45 1rrl s LEU 380 N 1.19 4.09 -0.01 0.00 2.96 -0.28 -4.81 118.68 121.82 1rrl s LEU 380 Ca 0.60 0.88 0.07 0.00 -0.22 0.00 0.00 54.13 55.47 1rrl s LEU 380 Cb -0.31 -3.01 -0.10 0.00 0.50 0.00 0.00 46.19 43.27 1rrl s LEU 380 CO 0.29 -0.42 0.24 0.29 -1.32 0.00 0.00 176.35 175.43 1rrl n LYS 381 N 5.71 2.39 -4.44 1.98 5.02 -1.26 -4.70 118.16 122.86 1rrl n LYS 381 Ca 0.02 -0.03 -0.22 0.00 -2.02 0.00 0.00 58.31 56.06 1rrl n LYS 381 Cb 0.48 -1.01 -0.09 0.00 -0.02 0.00 0.00 35.03 34.38 1rrl n LYS 381 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1rrl s ASP 382 N -2.29 2.25 -0.10 4.39 -4.77 -1.26 -4.97 116.67 109.91 1rrl s ASP 382 Ca -0.00 -1.51 -0.05 0.00 -3.30 0.00 0.00 52.55 47.69 1rrl s ASP 382 Cb 0.05 0.22 0.04 0.00 -1.09 0.00 0.00 42.92 42.15 1rrl s ASP 382 CO 0.31 -0.78 0.24 0.12 0.70 0.00 0.00 175.17 175.76 1rrl s PHE 383 N -3.37 -0.32 0.66 2.11 5.36 -1.26 -4.37 117.98 116.78 1rrl s PHE 383 Ca 0.32 0.76 -0.08 0.00 -0.96 0.00 0.00 56.93 56.97 1rrl s PHE 383 Cb 0.06 0.04 0.02 0.00 -0.34 0.00 0.00 43.02 42.81 1rrl s PHE 383 CO 0.15 -0.22 1.00 -2.14 -1.46 0.00 0.00 175.22 172.54 1rrl s PRO 384 N 1.17 2.75 0.31 10.12 0.02 -1.26 -5.10 135.00 143.00 1rrl s PRO 384 Ca -0.09 0.12 -0.29 0.00 0.02 0.00 0.00 61.00 60.76 1rrl s PRO 384 Cb -0.10 -2.16 -0.12 0.00 0.02 0.00 0.00 34.50 32.14 1rrl s PRO 384 CO -0.08 -0.93 1.38 -2.30 -0.33 0.00 0.00 177.00 174.74 1rrl n PRO 385 N -2.81 2.22 -4.09 5.54 -0.02 -1.26 -4.68 135.00 129.91 1rrl n PRO 385 Ca 0.06 0.78 -0.23 0.00 -2.02 0.00 0.00 63.50 62.09 1rrl n PRO 385 Cb 0.58 -2.43 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 1rrl n PRO 385 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1rrl s ARG 386 N -1.31 2.99 0.07 -0.52 0.52 -1.26 -1.68 118.95 117.77 1rrl s ARG 386 Ca 0.60 -0.96 -0.08 0.00 -0.52 0.00 0.00 55.73 54.77 1rrl s ARG 386 Cb -0.57 -2.63 -0.05 0.00 0.52 0.00 0.00 34.95 32.21 1rrl s ARG 386 CO 0.57 0.43 0.36 0.45 0.02 0.00 0.00 175.30 177.14 1rrl s SER 387 N -3.63 6.58 0.00 0.23 0.15 -1.25 -4.96 113.70 110.82 1rrl s SER 387 Ca 0.32 0.70 0.28 0.00 0.70 0.00 0.00 55.95 57.96 1rrl s SER 387 Cb -0.09 -2.14 1.15 0.00 -1.71 0.00 0.00 66.02 63.23 1rrl s SER 387 CO 0.25 0.17 1.83 0.29 1.20 0.00 0.00 173.24 176.98 1rrl n LYS 388 N 0.81 0.36 -1.84 5.44 5.02 -1.26 -4.75 118.16 121.94 1rrl n LYS 388 Ca -0.08 -0.10 -0.41 0.00 -2.02 0.00 0.00 58.31 55.70 1rrl n LYS 388 Cb 0.52 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1rrl n LYS 388 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rrl s LEU 389 N -2.71 4.31 0.00 -0.35 1.43 -1.26 -5.03 118.68 115.07 1rrl s LEU 389 Ca 0.22 3.00 0.00 0.00 -1.03 0.00 0.00 54.13 56.32 1rrl s LEU 389 Cb 0.19 -3.69 0.00 0.00 0.03 0.00 0.00 46.19 42.73 1rrl s LEU 389 CO 0.52 -0.86 0.00 -0.67 0.23 0.00 0.00 176.35 175.57 1rrl n ASP 390 N 0.44 0.00 -0.07 2.29 4.64 -1.26 -4.48 116.55 118.12 1rrl n ASP 390 Ca 0.01 0.00 -0.09 0.00 -1.38 0.00 0.00 54.79 53.33 1rrl n ASP 390 Cb 0.40 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.45 1rrl n ASP 390 CO 0.00 0.00 0.00 -1.28 -0.82 0.00 0.00 177.20 175.10 1rrl h SER 391 N 0.00 0.26 -0.48 1.67 0.87 -1.98 -3.42 113.55 110.47 1rrl h SER 391 Ca 0.00 -0.00 -0.45 0.00 -1.23 0.00 0.00 61.79 60.11 1rrl h SER 391 Cb 0.00 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1rrl h SER 391 CO 0.00 0.19 0.37 0.00 -0.53 0.00 0.00 176.83 176.86 1rrl n GLN 392 N -4.93 0.00 0.08 2.24 10.64 -1.26 -4.86 117.38 119.28 1rrl n GLN 392 Ca -0.02 0.00 -0.02 0.00 -1.83 0.00 0.00 57.00 55.13 1rrl n GLN 392 Cb 0.04 -0.77 0.23 0.00 -0.86 0.00 0.00 30.24 28.88 1rrl n GLN 392 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.06 174.99 1rrl h VAL 393 N 2.61 1.29 0.00 -0.39 3.04 -1.78 -2.50 116.25 118.51 1rrl h VAL 393 Ca -0.22 -1.41 0.00 0.00 -1.01 0.00 0.00 66.70 64.06 1rrl h VAL 393 Cb 0.70 1.58 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 1rrl h VAL 393 CO 0.50 0.43 0.16 0.00 -1.01 0.00 0.00 177.57 177.65 1rrl n TYR 394 N -4.06 0.00 0.02 3.17 0.18 -1.26 0.13 117.16 115.33 1rrl n TYR 394 Ca -0.01 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.75 1rrl n TYR 394 Cb 0.45 -0.27 -0.01 0.00 -0.38 0.00 0.00 39.34 39.13 1rrl n TYR 394 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 1rrl h GLY 395 N 0.00 -0.15 2.00 -7.48 0.00 -1.69 -1.84 103.07 93.90 1rrl h GLY 395 Ca 0.00 0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.33 1rrl h GLY 395 CO 0.00 -0.05 -0.27 -1.80 0.00 0.00 0.00 176.54 174.41 1rrl h ASP 396 N -0.92 0.00 0.00 0.19 3.58 -1.45 -3.32 116.42 114.50 1rrl h ASP 396 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1rrl h ASP 396 Cb 0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.16 1rrl h ASP 396 CO 0.02 0.27 0.00 1.57 -2.88 0.00 0.00 179.24 178.23 1rrl n HIS 397 N -3.60 0.00 -1.35 0.28 -0.00 0.35 -5.06 115.22 105.84 1rrl n HIS 397 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 1rrl n HIS 397 Cb 0.41 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.28 1rrl n HIS 397 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1rrl n THR 398 N 0.00 0.00 -3.77 3.57 -2.24 -0.69 -4.60 114.28 106.55 1rrl n THR 398 Ca 0.00 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 1rrl n THR 398 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1rrl n THR 398 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1rrl s SER 399 N 2.00 5.79 0.00 3.42 0.15 -0.67 -4.69 113.70 119.70 1rrl s SER 399 Ca 0.00 -0.23 0.10 0.00 0.70 0.00 0.00 55.95 56.53 1rrl s SER 399 Cb 0.00 -1.32 -0.01 0.00 -1.71 0.00 0.00 66.02 62.98 1rrl s SER 399 CO 0.00 -0.27 0.63 0.00 1.20 0.00 0.00 173.24 174.80 1rrl n GLN 400 N -1.45 2.21 -1.75 5.44 1.13 -1.26 -4.85 117.38 116.85 1rrl n GLN 400 Ca -0.04 -0.56 -0.42 0.00 -1.94 0.00 0.00 57.00 54.05 1rrl n GLN 400 Cb 0.58 -1.09 -0.01 0.00 0.11 0.00 0.00 30.24 29.83 1rrl n GLN 400 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1rrl n ILE 401 N -0.34 1.14 -4.23 5.09 5.41 -1.26 -5.01 119.36 120.15 1rrl n ILE 401 Ca 0.04 -0.28 -0.26 0.00 1.00 0.00 0.00 62.75 63.25 1rrl n ILE 401 Cb 0.21 -1.98 -0.08 0.00 -0.71 0.00 0.00 39.64 37.09 1rrl n ILE 401 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1rrl s THR 402 N -0.13 2.17 -0.03 1.39 -4.23 -1.26 -4.80 115.64 108.75 1rrl s THR 402 Ca 0.63 -1.75 0.23 0.00 -1.18 0.00 0.00 61.69 59.61 1rrl s THR 402 Cb -0.49 -2.92 0.23 0.00 1.34 0.00 0.00 72.50 70.66 1rrl s THR 402 CO 0.50 0.00 1.72 0.11 -0.54 0.00 0.00 174.62 176.42 1rrl h LYS 403 N 1.45 0.00 -0.53 3.99 1.57 -1.99 -3.00 116.57 118.05 1rrl h LYS 403 Ca -0.43 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.35 1rrl h LYS 403 Cb 1.26 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.54 1rrl h LYS 403 CO 0.72 0.23 0.31 0.93 -0.57 0.00 0.00 179.45 181.06 1rrl h GLU 404 N 0.00 0.73 -0.26 3.15 3.07 -1.95 -0.36 114.58 118.96 1rrl h GLU 404 Ca -0.00 -0.07 0.06 0.00 -0.50 0.00 0.00 59.36 58.84 1rrl h GLU 404 Cb 0.90 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 1rrl h GLU 404 CO 0.03 0.55 0.18 0.45 -1.40 0.00 0.00 179.01 178.82 1rrl h HIS 405 N 0.72 0.09 0.00 4.33 3.86 -1.94 -3.30 115.15 118.90 1rrl h HIS 405 Ca 0.19 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 59.14 1rrl h HIS 405 Cb 0.01 -0.03 -0.05 0.00 1.06 0.00 0.00 27.41 28.40 1rrl h HIS 405 CO -0.02 0.05 -2.07 1.28 0.86 0.00 0.00 177.93 178.03 1rrl n LEU 406 N -4.48 0.26 -4.51 2.43 4.77 -0.19 -4.78 117.00 110.50 1rrl n LEU 406 Ca 0.03 0.12 -0.43 0.00 -0.03 0.00 0.00 56.01 55.70 1rrl n LEU 406 Cb 0.28 0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.63 1rrl n LEU 406 CO 0.35 0.34 0.80 -1.61 -1.33 0.00 0.00 177.39 175.94 1rrl s GLU 407 N -2.75 3.29 0.23 3.23 2.02 -0.93 -4.83 118.70 118.96 1rrl s GLU 407 Ca -0.08 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 54.57 1rrl s GLU 407 Cb 0.08 -4.09 0.00 0.00 0.10 0.00 0.00 34.13 30.22 1rrl s GLU 407 CO 0.84 -1.61 0.00 -0.35 0.02 0.00 0.00 175.26 174.16 1rrl n PRO 408 N 7.70 0.00 0.01 0.39 -0.04 -1.26 -5.00 135.00 136.80 1rrl n PRO 408 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1rrl n PRO 408 Cb 0.47 -0.06 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 1rrl n PRO 408 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1rrl n ASN 409 N -3.36 0.11 0.00 3.54 5.15 -1.26 -5.06 115.26 114.37 1rrl n ASN 409 Ca 0.00 0.04 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 1rrl n ASN 409 Cb 0.01 -0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.24 1rrl n ASN 409 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1rrl n LEU 410 N -2.65 0.00 -0.09 1.20 7.94 -1.26 -4.63 117.00 117.51 1rrl n LEU 410 Ca 0.00 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.04 1rrl n LEU 410 Cb 0.00 0.00 0.52 0.00 0.53 0.00 0.00 43.42 44.47 1rrl n LEU 410 CO 0.00 0.00 0.78 1.21 -1.11 0.00 0.00 177.39 178.27 1rrl n GLU 411 N 0.00 0.47 -3.20 1.96 2.13 -1.26 -4.94 120.64 115.81 1rrl n GLU 411 Ca 0.00 -0.19 -0.21 0.00 0.66 0.00 0.00 57.16 57.43 1rrl n GLU 411 Cb 0.00 -1.50 0.05 0.00 0.27 0.00 0.00 31.44 30.26 1rrl n GLU 411 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1rrl n GLY 412 N 1.36 -0.39 3.94 8.31 0.00 -1.26 -5.04 105.19 112.12 1rrl n GLY 412 Ca 0.11 0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 1rrl n GLY 412 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rrl s LEU 413 N -6.32 3.38 0.74 0.99 1.43 -1.26 -5.12 118.68 112.52 1rrl s LEU 413 Ca 0.39 0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 53.77 1rrl s LEU 413 Cb -0.17 -3.20 0.07 0.00 0.03 0.00 0.00 46.19 42.91 1rrl s LEU 413 CO 0.49 -0.97 1.06 0.28 0.23 0.00 0.00 176.35 177.44 1rrl s THR 414 N -2.78 2.19 0.15 5.49 -1.32 -1.26 -4.88 115.64 113.24 1rrl s THR 414 Ca 0.53 -0.19 -0.11 0.00 -1.21 0.00 0.00 61.69 60.70 1rrl s THR 414 Cb -0.10 -3.00 0.02 0.00 -1.51 0.00 0.00 72.50 67.90 1rrl s THR 414 CO 0.41 0.00 1.58 0.58 -2.21 0.00 0.00 174.62 174.98 1rrl h VAL 415 N -0.74 1.27 0.06 5.08 2.07 -1.97 0.62 116.25 122.64 1rrl h VAL 415 Ca -0.45 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 65.88 1rrl h VAL 415 Cb 1.32 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1rrl h VAL 415 CO 0.62 0.42 -0.10 0.44 0.02 0.00 0.00 177.57 178.96 1rrl h ASP 416 N 0.79 -0.28 -0.38 0.57 5.19 -1.99 0.26 116.42 120.58 1rrl h ASP 416 Ca 0.13 0.03 0.04 0.00 -0.62 0.00 0.00 57.03 56.62 1rrl h ASP 416 Cb 0.62 0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.22 1rrl h ASP 416 CO 0.04 -0.15 0.26 -0.08 -3.12 0.00 0.00 179.24 176.18 1rrl h GLU 417 N -0.20 0.34 -0.01 3.56 4.81 -1.89 -1.23 114.58 119.96 1rrl h GLU 417 Ca 0.02 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1rrl h GLU 417 Cb 0.22 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.53 1rrl h GLU 417 CO -0.06 0.23 -0.58 0.00 -0.73 0.00 0.00 179.01 177.86 1rrl h ALA 418 N 1.79 0.08 -0.59 2.92 0.00 0.15 -2.70 119.26 120.91 1rrl h ALA 418 Ca 0.16 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1rrl h ALA 418 Cb 0.20 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1rrl h ALA 418 CO -0.04 0.34 0.33 0.82 0.00 0.00 0.00 179.25 180.71 1rrl h ILE 419 N -0.10 1.19 -0.61 0.00 2.04 -0.52 0.57 117.51 120.09 1rrl h ILE 419 Ca -0.07 -0.46 0.04 0.00 1.00 0.00 0.00 64.86 65.38 1rrl h ILE 419 Cb 1.29 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1rrl h ILE 419 CO 0.12 0.20 0.40 1.56 0.00 0.00 0.00 178.15 180.42 1rrl h GLN 420 N 0.80 0.64 -0.33 2.37 4.20 -1.22 -0.69 115.11 120.88 1rrl h GLN 420 Ca 0.21 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1rrl h GLN 420 Cb 0.02 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.66 1rrl h GLN 420 CO -0.04 0.42 0.00 0.09 -0.67 0.00 0.00 178.83 178.64 1rrl n ASN 421 N -4.47 2.16 -3.67 1.46 5.03 -1.02 -4.94 115.26 109.82 1rrl n ASN 421 Ca 0.08 -1.89 -0.25 0.00 0.87 0.00 0.00 54.58 53.38 1rrl n ASN 421 Cb 0.18 -0.22 0.07 0.00 -1.02 0.00 0.00 39.78 38.79 1rrl n ASN 421 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1rrl n LYS 422 N 0.66 -7.31 -0.27 3.52 4.76 -0.27 -4.94 118.16 114.31 1rrl n LYS 422 Ca 0.15 0.77 0.07 0.00 -2.87 0.00 0.00 58.31 56.43 1rrl n LYS 422 Cb 0.37 -5.78 0.19 0.00 -1.84 0.00 0.00 35.03 27.97 1rrl n LYS 422 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1rrl n ARG 423 N -4.88 2.85 -5.02 1.97 1.74 0.17 -4.95 116.66 108.54 1rrl n ARG 423 Ca -0.00 -2.36 -0.32 0.00 -0.77 0.00 0.00 57.85 54.39 1rrl n ARG 423 Cb 0.56 -1.50 -0.17 0.00 -1.02 0.00 0.00 32.46 30.33 1rrl n ARG 423 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1rrl s LEU 424 N -1.82 2.13 0.22 0.55 1.43 -1.26 -1.14 118.68 118.80 1rrl s LEU 424 Ca 0.30 -0.56 0.07 0.00 -1.03 0.00 0.00 54.13 52.90 1rrl s LEU 424 Cb 0.21 -1.43 -0.05 0.00 0.03 0.00 0.00 46.19 44.95 1rrl s LEU 424 CO 0.12 0.13 -0.10 -0.36 0.23 0.00 0.00 176.35 176.37 1rrl s PHE 425 N 0.49 1.72 -0.01 0.29 0.40 -0.22 -1.13 117.98 119.51 1rrl s PHE 425 Ca -0.15 -0.67 0.03 0.00 -0.60 0.00 0.00 56.93 55.54 1rrl s PHE 425 Cb -0.17 -0.88 -0.00 0.00 0.51 0.00 0.00 43.02 42.47 1rrl s PHE 425 CO 0.05 0.26 -0.09 -1.17 0.70 0.00 0.00 175.22 174.97 1rrl s LEU 426 N -3.34 1.92 -0.47 -0.37 2.96 0.33 -1.01 118.68 118.70 1rrl s LEU 426 Ca 0.25 -0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 53.93 1rrl s LEU 426 Cb 0.02 -0.51 0.12 0.00 0.50 0.00 0.00 46.19 46.32 1rrl s LEU 426 CO 0.08 0.10 0.30 -0.22 -1.32 0.00 0.00 176.35 175.28 1rrl s LEU 427 N -0.05 5.41 -0.33 -0.68 0.20 0.30 -0.30 118.68 123.23 1rrl s LEU 427 Ca 0.01 -2.17 -0.16 0.00 0.69 0.00 0.00 54.13 52.50 1rrl s LEU 427 Cb -0.06 -1.89 -0.02 0.00 -0.43 0.00 0.00 46.19 43.80 1rrl s LEU 427 CO -0.00 -0.55 0.40 -0.62 -0.29 0.00 0.00 176.35 175.29 1rrl s ASP 428 N 1.85 6.23 -0.08 3.68 -1.08 -1.26 -1.29 116.67 124.73 1rrl s ASP 428 Ca 0.09 -0.06 0.11 0.00 -0.52 0.00 0.00 52.55 52.18 1rrl s ASP 428 Cb -0.23 -2.22 0.19 0.00 -1.46 0.00 0.00 42.92 39.20 1rrl s ASP 428 CO -0.03 -0.34 1.09 1.41 0.52 0.00 0.00 175.17 177.82 1rrl n HIS 429 N 5.46 0.00 0.12 -5.34 8.25 0.54 -4.86 115.22 119.39 1rrl n HIS 429 Ca -0.08 -0.60 -0.10 0.00 -0.26 0.00 0.00 57.72 56.68 1rrl n HIS 429 Cb 0.50 -0.12 -0.06 0.00 1.12 0.00 0.00 29.99 31.43 1rrl n HIS 429 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1rrl h HIS 430 N 0.12 -0.35 -0.27 4.41 6.17 -1.74 -3.33 115.15 120.16 1rrl h HIS 430 Ca -0.01 -0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.04 1rrl h HIS 430 Cb 1.21 0.11 -0.01 0.00 2.52 0.00 0.00 27.41 31.25 1rrl h HIS 430 CO 0.10 -0.01 0.11 -0.44 0.71 0.00 0.00 177.93 178.40 1rrl h ASP 431 N -0.95 0.38 0.01 3.26 3.45 -1.90 -2.48 116.42 118.18 1rrl h ASP 431 Ca -0.04 -0.17 -0.14 0.00 0.43 0.00 0.00 57.03 57.12 1rrl h ASP 431 Cb 0.49 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 39.15 1rrl h ASP 431 CO 0.06 0.44 -0.45 -0.65 -1.57 0.00 0.00 179.24 177.07 1rrl h PRO 432 N 0.29 0.53 0.00 3.56 0.11 -1.97 -3.31 132.00 131.21 1rrl h PRO 432 Ca 0.09 -0.29 -0.24 0.00 0.11 0.00 0.00 66.00 65.67 1rrl h PRO 432 Cb 0.18 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.27 1rrl h PRO 432 CO -0.01 0.87 -1.38 0.97 -0.21 0.00 0.00 178.00 178.25 1rrl h ILE 433 N 0.42 1.07 -0.65 4.15 2.10 -1.79 -3.38 117.51 119.43 1rrl h ILE 433 Ca 0.03 -2.81 0.13 0.00 1.08 0.00 0.00 64.86 63.29 1rrl h ILE 433 Cb 0.96 2.50 -0.12 0.00 -1.09 0.00 0.00 36.82 39.07 1rrl h ILE 433 CO 0.09 0.61 -0.17 0.24 -1.08 0.00 0.00 178.15 177.84 1rrl h MET 434 N 0.00 -0.00 0.00 2.19 2.86 -1.53 -0.92 114.93 117.53 1rrl h MET 434 Ca -0.17 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1rrl h MET 434 Cb 1.85 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.51 1rrl h MET 434 CO 0.09 -0.00 -0.02 -1.35 1.06 0.00 0.00 176.91 176.69 1rrl h PRO 435 N -0.00 0.00 -0.32 -0.22 0.11 -1.75 -2.87 132.00 126.94 1rrl h PRO 435 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1rrl h PRO 435 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1rrl h PRO 435 CO -0.68 0.02 0.00 0.66 -0.21 0.00 0.00 178.00 177.79 1rrl n TYR 436 N -3.13 0.41 0.09 0.65 4.02 -0.78 -4.63 117.16 113.79 1rrl n TYR 436 Ca 0.00 -0.23 -0.14 0.00 -0.01 0.00 0.00 57.90 57.52 1rrl n TYR 436 Cb 0.31 -0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.49 1rrl n TYR 436 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1rrl h LEU 437 N 4.06 0.33 -1.16 7.72 5.85 -0.96 0.14 115.31 131.30 1rrl h LEU 437 Ca 0.00 -0.36 -0.07 0.00 0.84 0.00 0.00 57.88 58.29 1rrl h LEU 437 Cb 0.92 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1rrl h LEU 437 CO 0.00 1.29 -0.14 0.08 -0.34 0.00 0.00 178.44 179.33 1rrl h ARG 438 N 0.06 0.42 0.06 1.25 0.11 -1.82 -0.64 114.38 113.82 1rrl h ARG 438 Ca -0.12 -0.12 -0.00 0.00 0.10 0.00 0.00 59.98 59.83 1rrl h ARG 438 Cb 1.94 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.97 1rrl h ARG 438 CO 0.18 0.56 -0.03 0.00 0.10 0.00 0.00 179.97 180.78 1rrl h ARG 439 N 0.39 -0.08 -0.97 0.08 3.08 -1.74 -3.14 114.38 112.00 1rrl h ARG 439 Ca 0.07 0.01 0.30 0.00 0.07 0.00 0.00 59.98 60.43 1rrl h ARG 439 Cb 0.48 0.02 -0.15 0.00 0.08 0.00 0.00 29.97 30.40 1rrl h ARG 439 CO 0.03 0.45 0.45 0.82 -1.07 0.00 0.00 179.97 180.65 1rrl h ILE 440 N -0.69 0.27 -0.00 2.04 2.04 -0.63 -2.62 117.51 117.92 1rrl h ILE 440 Ca -0.01 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1rrl h ILE 440 Cb 0.58 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1rrl h ILE 440 CO 0.01 0.05 -0.01 0.59 0.00 0.00 0.00 178.15 178.79 1rrl n ASN 441 N -5.13 0.01 -0.51 1.72 3.02 -0.26 -1.88 115.26 112.23 1rrl n ASN 441 Ca 0.29 0.31 0.14 0.00 -0.03 0.00 0.00 54.58 55.28 1rrl n ASN 441 Cb 0.91 -0.43 0.44 0.00 -0.61 0.00 0.00 39.78 40.09 1rrl n ASN 441 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rrl n ALA 442 N -1.44 2.65 -2.22 5.41 0.00 -0.99 -4.78 120.51 119.14 1rrl n ALA 442 Ca 0.09 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1rrl n ALA 442 Cb 0.31 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1rrl n ALA 442 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rrl n THR 443 N 0.21 0.00 0.45 0.00 -2.24 -0.79 -4.99 114.28 106.93 1rrl n THR 443 Ca 0.17 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.06 1rrl n THR 443 Cb 0.39 -1.38 0.43 0.00 -2.10 0.00 0.00 70.33 67.67 1rrl n THR 443 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1rrl n SER 444 N -2.87 0.44 -4.75 3.42 3.41 -1.26 -4.80 113.62 107.21 1rrl n SER 444 Ca 0.00 0.60 -0.40 0.00 -0.26 0.00 0.00 58.87 58.81 1rrl n SER 444 Cb 0.00 -0.70 -0.05 0.00 -0.26 0.00 0.00 64.21 63.20 1rrl n SER 444 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1rrl s THR 445 N -3.20 3.85 -0.29 6.66 2.01 -1.26 -4.67 115.64 118.74 1rrl s THR 445 Ca 0.06 1.76 0.02 0.00 0.31 0.00 0.00 61.69 63.84 1rrl s THR 445 Cb 0.10 -4.12 0.08 0.00 0.01 0.00 0.00 72.50 68.57 1rrl s THR 445 CO 0.36 0.38 -0.01 -0.54 -0.69 0.00 0.00 174.62 174.12 1rrl s LYS 446 N -0.97 1.60 0.31 4.92 -0.14 0.14 -4.17 119.74 121.44 1rrl s LYS 446 Ca 0.45 -1.44 0.03 0.00 -1.36 0.00 0.00 55.97 53.65 1rrl s LYS 446 Cb -0.29 -2.83 -0.05 0.00 -1.68 0.00 0.00 37.83 32.98 1rrl s LYS 446 CO 0.36 -0.78 0.08 0.00 -0.76 0.00 0.00 175.35 174.25 1rrl s ALA 447 N 1.16 2.20 0.26 5.17 0.00 -1.26 -3.77 121.76 125.52 1rrl s ALA 447 Ca 0.02 -1.89 0.09 0.00 0.00 0.00 0.00 51.96 50.18 1rrl s ALA 447 Cb -0.19 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 23.70 1rrl s ALA 447 CO -0.09 -0.37 -0.12 0.71 0.00 0.00 0.00 175.76 175.89 1rrl s TYR 448 N -3.45 2.01 -0.27 0.00 2.02 -1.26 -4.92 117.35 111.48 1rrl s TYR 448 Ca 0.35 -0.55 -0.09 0.00 -0.37 0.00 0.00 57.07 56.42 1rrl s TYR 448 Cb 0.08 -1.02 -0.03 0.00 -0.40 0.00 0.00 41.96 40.59 1rrl s TYR 448 CO 0.15 0.44 0.11 0.00 -1.57 0.00 0.00 175.55 174.68 1rrl s ALA 449 N -2.83 3.26 0.31 3.71 0.00 -0.17 -4.85 121.76 121.19 1rrl s ALA 449 Ca 0.28 -1.17 0.08 0.00 0.00 0.00 0.00 51.96 51.15 1rrl s ALA 449 Cb 0.00 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 1rrl s ALA 449 CO 0.12 -0.58 0.11 0.95 0.00 0.00 0.00 175.76 176.35 1rrl s THR 450 N 1.65 3.25 -0.07 0.00 -4.23 -1.25 -1.28 115.64 113.70 1rrl s THR 450 Ca 0.06 -1.73 -0.06 0.00 -1.18 0.00 0.00 61.69 58.78 1rrl s THR 450 Cb -0.16 -2.97 0.02 0.00 1.34 0.00 0.00 72.50 70.73 1rrl s THR 450 CO 0.06 -0.25 0.19 -0.13 -0.54 0.00 0.00 174.62 173.95 1rrl s ARG 451 N -3.80 0.21 -0.13 3.99 0.52 -0.80 -0.34 118.95 118.61 1rrl s ARG 451 Ca 0.36 0.30 0.01 0.00 -0.52 0.00 0.00 55.73 55.87 1rrl s ARG 451 Cb -0.04 0.07 0.02 0.00 0.52 0.00 0.00 34.95 35.52 1rrl s ARG 451 CO 0.22 -0.05 -0.13 0.99 0.02 0.00 0.00 175.30 176.35 1rrl s THR 452 N 0.28 1.43 -0.13 0.02 2.01 -0.41 -0.82 115.64 118.02 1rrl s THR 452 Ca -0.01 -0.56 -0.10 0.00 0.31 0.00 0.00 61.69 61.32 1rrl s THR 452 Cb -0.03 -1.35 -0.05 0.00 0.01 0.00 0.00 72.50 71.08 1rrl s THR 452 CO -0.01 0.43 0.21 -0.63 -0.69 0.00 0.00 174.62 173.94 1rrl s ILE 453 N 1.39 5.37 0.18 1.82 1.01 -0.63 -0.53 121.20 129.81 1rrl s ILE 453 Ca 0.02 0.38 0.08 0.00 0.00 0.00 0.00 60.65 61.13 1rrl s ILE 453 Cb -0.13 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1rrl s ILE 453 CO -0.08 0.52 -0.17 -0.76 0.00 0.00 0.00 174.94 174.45 1rrl s LEU 454 N -0.38 2.47 -0.08 2.97 1.02 -0.18 -0.18 118.68 124.31 1rrl s LEU 454 Ca 0.15 -0.90 0.03 0.00 0.02 0.00 0.00 54.13 53.43 1rrl s LEU 454 Cb -0.13 -0.81 0.01 0.00 0.02 0.00 0.00 46.19 45.28 1rrl s LEU 454 CO 0.04 -0.06 -0.18 0.12 0.02 0.00 0.00 176.35 176.29 1rrl s PHE 455 N -2.25 2.04 -0.50 0.29 5.36 -0.03 -1.06 117.98 121.83 1rrl s PHE 455 Ca 0.18 -0.81 -0.26 0.00 -0.96 0.00 0.00 56.93 55.07 1rrl s PHE 455 Cb -0.05 -1.41 0.03 0.00 -0.34 0.00 0.00 43.02 41.25 1rrl s PHE 455 CO 0.07 -0.36 1.01 -1.17 -1.46 0.00 0.00 175.22 173.31 1rrl s LEU 456 N 0.50 3.88 1.02 6.12 2.96 -0.29 -0.25 118.68 132.62 1rrl s LEU 456 Ca -0.17 0.06 -0.12 0.00 -0.22 0.00 0.00 54.13 53.68 1rrl s LEU 456 Cb -0.17 -3.16 0.20 0.00 0.50 0.00 0.00 46.19 43.56 1rrl s LEU 456 CO 0.06 -1.19 1.08 -0.54 -1.32 0.00 0.00 176.35 174.44 1rrl s LYS 457 N 4.10 0.22 0.50 1.98 1.02 0.48 -4.93 119.74 123.12 1rrl s LYS 457 Ca 0.38 0.63 0.25 0.00 0.02 0.00 0.00 55.97 57.26 1rrl s LYS 457 Cb -0.10 -1.70 1.33 0.00 -0.52 0.00 0.00 37.83 36.84 1rrl s LYS 457 CO 0.25 -2.90 1.91 -0.91 -0.92 0.00 0.00 175.35 172.79 1rrl h ASN 458 N -2.02 0.12 -0.36 2.83 -0.26 -1.95 -2.80 115.58 111.14 1rrl h ASN 458 Ca -0.55 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.20 1rrl h ASN 458 Cb 1.32 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.57 1rrl h ASN 458 CO 0.55 0.05 0.00 -0.90 -1.06 0.00 0.00 177.43 176.08 1rrl n ASP 459 N -4.37 2.53 0.00 5.81 3.85 -1.26 -4.91 116.55 118.20 1rrl n ASP 459 Ca 0.16 -1.90 0.00 0.00 -0.71 0.00 0.00 54.79 52.34 1rrl n ASP 459 Cb 0.77 -0.24 0.00 0.00 -1.35 0.00 0.00 41.12 40.30 1rrl n ASP 459 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1rrl n GLY 460 N 1.29 0.44 3.83 6.12 0.00 -1.06 -4.89 105.19 110.92 1rrl n GLY 460 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1rrl n GLY 460 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rrl s THR 461 N -2.13 4.55 0.11 2.61 -4.23 -1.26 -4.79 115.64 110.49 1rrl s THR 461 Ca 0.00 1.22 -0.19 0.00 -1.18 0.00 0.00 61.69 61.54 1rrl s THR 461 Cb 0.00 -3.69 -0.07 0.00 1.34 0.00 0.00 72.50 70.08 1rrl s THR 461 CO 0.00 -0.12 0.59 -0.22 -0.54 0.00 0.00 174.62 174.33 1rrl s LEU 462 N -2.77 4.48 -0.02 4.79 2.96 -1.26 -0.39 118.68 126.47 1rrl s LEU 462 Ca 0.54 1.27 0.02 0.00 -0.22 0.00 0.00 54.13 55.74 1rrl s LEU 462 Cb -0.12 -3.06 0.00 0.00 0.50 0.00 0.00 46.19 43.52 1rrl s LEU 462 CO 0.17 0.22 -0.07 -0.60 -1.32 0.00 0.00 176.35 174.75 1rrl s ARG 463 N -1.35 0.72 0.28 1.98 3.52 0.65 -4.68 118.95 120.08 1rrl s ARG 463 Ca 0.32 -0.22 -0.28 0.00 -0.13 0.00 0.00 55.73 55.42 1rrl s ARG 463 Cb -0.19 -0.70 -0.09 0.00 -1.56 0.00 0.00 34.95 32.41 1rrl s ARG 463 CO 0.20 0.08 0.99 -1.25 -0.81 0.00 0.00 175.30 174.50 1rrl s PRO 464 N 0.21 4.68 -0.03 5.12 0.04 -1.26 -0.85 135.00 142.91 1rrl s PRO 464 Ca -0.03 1.52 0.04 0.00 0.04 0.00 0.00 61.00 62.57 1rrl s PRO 464 Cb -0.07 -3.07 -0.06 0.00 0.04 0.00 0.00 34.50 31.34 1rrl s PRO 464 CO 0.00 0.33 0.04 1.28 0.04 0.00 0.00 177.00 178.69 1rrl n LEU 465 N 1.05 0.00 -3.64 -3.56 4.32 0.75 -4.77 117.00 111.15 1rrl n LEU 465 Ca -0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.91 1rrl n LEU 465 Cb 0.47 0.07 -0.07 0.00 -1.62 0.00 0.00 43.42 42.27 1rrl n LEU 465 CO 0.49 0.07 0.82 0.00 -1.22 0.00 0.00 177.39 177.55 1rrl s ALA 466 N -2.17 -2.02 -0.07 -1.18 0.00 -1.22 -4.32 121.76 110.78 1rrl s ALA 466 Ca -0.02 1.83 0.03 0.00 0.00 0.00 0.00 51.96 53.80 1rrl s ALA 466 Cb 0.02 -1.47 0.01 0.00 0.00 0.00 0.00 23.12 21.68 1rrl s ALA 466 CO 0.17 -0.21 -0.17 0.42 0.00 0.00 0.00 175.76 175.97 1rrl s ILE 467 N 0.12 1.50 -0.22 0.00 1.01 -0.33 -1.60 121.20 121.69 1rrl s ILE 467 Ca 0.04 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 1rrl s ILE 467 Cb -0.05 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 1rrl s ILE 467 CO -0.08 0.43 0.10 -0.70 0.00 0.00 0.00 174.94 174.70 1rrl s GLU 468 N 0.46 3.94 -0.26 2.79 2.12 0.00 -1.25 118.70 126.51 1rrl s GLU 468 Ca -0.15 -0.35 -0.03 0.00 0.36 0.00 0.00 54.97 54.80 1rrl s GLU 468 Cb -0.16 -3.35 0.02 0.00 0.26 0.00 0.00 34.13 30.90 1rrl s GLU 468 CO 0.05 0.10 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.34 1rrl s LEU 469 N 0.88 3.36 -0.09 2.70 1.43 -0.30 -1.90 118.68 124.76 1rrl s LEU 469 Ca 0.05 -0.79 0.01 0.00 -1.03 0.00 0.00 54.13 52.38 1rrl s LEU 469 Cb -0.13 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 1rrl s LEU 469 CO 0.03 -0.14 -0.12 -0.55 0.23 0.00 0.00 176.35 175.80 1rrl s SER 470 N 1.39 4.14 0.20 2.29 0.15 -0.41 -1.49 113.70 119.96 1rrl s SER 470 Ca 0.01 -0.23 0.09 0.00 0.70 0.00 0.00 55.95 56.53 1rrl s SER 470 Cb -0.17 -1.26 -0.04 0.00 -1.71 0.00 0.00 66.02 62.84 1rrl s SER 470 CO -0.02 0.26 -0.10 -0.76 1.20 0.00 0.00 173.24 173.82 1rrl s LEU 471 N -0.22 2.94 0.00 3.45 1.43 0.26 -1.00 118.68 125.54 1rrl s LEU 471 Ca 0.01 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1rrl s LEU 471 Cb -0.13 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.49 1rrl s LEU 471 CO 0.03 0.09 0.17 -0.81 0.23 0.00 0.00 176.35 176.06 1rrl n PRO 472 N -0.10 0.00 -3.59 1.29 -0.04 -1.26 -1.62 135.00 129.68 1rrl n PRO 472 Ca -0.10 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.13 1rrl n PRO 472 Cb 0.56 -0.59 -0.16 0.00 -0.04 0.00 0.00 33.50 33.27 1rrl n PRO 472 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1rrl s HIS 473 N -0.35 0.05 0.23 0.54 -3.43 -1.26 -3.03 115.29 108.05 1rrl s HIS 473 Ca 0.00 -0.09 -0.07 0.00 -0.80 0.00 0.00 55.06 54.09 1rrl s HIS 473 Cb 0.00 -0.57 0.27 0.00 -1.43 0.00 0.00 32.58 30.85 1rrl s HIS 473 CO 0.00 -0.49 1.85 -1.35 -2.00 0.00 0.00 174.74 172.75 1rrl h PRO 474 N 8.39 0.90 0.00 -0.38 0.11 -1.95 -3.41 132.00 135.66 1rrl h PRO 474 Ca -0.15 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.90 1rrl h PRO 474 Cb 1.15 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1rrl h PRO 474 CO 0.27 0.59 -0.19 0.00 -0.21 0.00 0.00 178.00 178.46 1rrl n GLN 475 N -4.64 1.01 0.00 1.05 0.00 -1.26 -5.13 117.38 108.41 1rrl n GLN 475 Ca 0.10 -2.31 0.00 0.00 0.00 0.00 0.00 57.00 54.79 1rrl n GLN 475 Cb 0.14 -1.26 0.00 0.00 0.00 0.00 0.00 30.24 29.12 1rrl n GLN 475 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1rrl n GLY 476 N -1.05 2.02 0.17 2.61 0.00 -1.26 -4.77 105.19 102.92 1rrl n GLY 476 Ca 0.13 -2.08 0.04 0.00 0.00 0.00 0.00 46.02 44.12 1rrl n GLY 476 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1rrl h ASP 477 N 0.00 0.00 0.75 1.61 5.19 -1.95 -3.04 116.42 118.98 1rrl h ASP 477 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1rrl h ASP 477 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1rrl h ASP 477 CO 0.00 0.43 0.00 0.00 -3.12 0.00 0.00 179.24 176.55 1rrl n GLN 478 N -3.34 0.09 -0.45 3.56 6.02 -1.26 -3.65 117.38 118.35 1rrl n GLN 478 Ca 0.01 0.07 -0.07 0.00 -0.01 0.00 0.00 57.00 57.00 1rrl n GLN 478 Cb 0.62 -1.50 0.08 0.00 1.02 0.00 0.00 30.24 30.47 1rrl n GLN 478 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1rrl n SER 479 N -1.45 3.20 0.00 1.08 2.88 -1.15 -3.75 113.62 114.43 1rrl n SER 479 Ca 0.07 -2.57 0.00 0.00 -1.33 0.00 0.00 58.87 55.05 1rrl n SER 479 Cb 0.26 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 1rrl n SER 479 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rrl n GLY 480 N -0.06 1.95 3.14 0.46 0.00 -1.24 -4.78 105.19 104.66 1rrl n GLY 480 Ca 0.21 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 1rrl n GLY 480 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rrl s ALA 481 N -2.00 -0.45 -0.02 4.61 0.00 -1.26 -4.80 121.76 117.84 1rrl s ALA 481 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 51.96 51.68 1rrl s ALA 481 Cb 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1rrl s ALA 481 CO 0.00 -0.23 0.82 0.12 0.00 0.00 0.00 175.76 176.48 1rrl s PHE 482 N -1.40 3.63 0.01 0.00 5.36 -0.64 -4.92 117.98 120.01 1rrl s PHE 482 Ca -0.14 1.46 0.01 0.00 -0.96 0.00 0.00 56.93 57.30 1rrl s PHE 482 Cb -0.07 -2.93 -0.01 0.00 -0.34 0.00 0.00 43.02 39.67 1rrl s PHE 482 CO 0.02 0.07 -0.05 -1.12 -1.46 0.00 0.00 175.22 172.69 1rrl s SER 483 N 0.76 0.53 0.29 6.13 0.01 -1.26 0.89 113.70 121.06 1rrl s SER 483 Ca 0.43 -0.18 0.08 0.00 1.31 0.00 0.00 55.95 57.59 1rrl s SER 483 Cb -0.19 -0.03 -0.06 0.00 0.21 0.00 0.00 66.02 65.95 1rrl s SER 483 CO 0.23 -0.02 -0.08 -1.10 0.41 0.00 0.00 173.24 172.68 1rrl s GLN 484 N -0.44 1.62 -0.04 12.44 -0.21 -0.55 -4.97 119.66 127.50 1rrl s GLN 484 Ca -0.02 -1.81 0.02 0.00 0.02 0.00 0.00 55.36 53.57 1rrl s GLN 484 Cb -0.04 -1.33 0.01 0.00 1.00 0.00 0.00 33.01 32.65 1rrl s GLN 484 CO -0.00 0.09 -0.09 0.08 -2.12 0.00 0.00 175.29 173.25 1rrl s VAL 485 N -2.88 0.83 -0.03 1.09 1.01 -1.26 -1.15 120.40 118.02 1rrl s VAL 485 Ca 0.30 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.00 1rrl s VAL 485 Cb 0.03 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.63 1rrl s VAL 485 CO 0.13 0.27 -0.21 -0.36 0.00 0.00 0.00 175.10 174.93 1rrl s PHE 486 N 0.48 1.94 0.07 5.22 0.40 -0.38 -4.98 117.98 120.72 1rrl s PHE 486 Ca -0.08 -0.44 0.09 0.00 -0.60 0.00 0.00 56.93 55.90 1rrl s PHE 486 Cb -0.12 -1.26 -0.03 0.00 0.51 0.00 0.00 43.02 42.12 1rrl s PHE 486 CO 0.01 -0.09 -0.23 -0.51 0.70 0.00 0.00 175.22 175.11 1rrl s LEU 487 N -0.34 2.40 0.52 -0.37 1.43 -1.26 -1.19 118.68 119.87 1rrl s LEU 487 Ca 0.04 -0.56 -0.22 0.00 -1.03 0.00 0.00 54.13 52.36 1rrl s LEU 487 Cb -0.10 -1.38 -0.06 0.00 0.03 0.00 0.00 46.19 44.68 1rrl s LEU 487 CO 0.00 0.24 1.28 -0.81 0.23 0.00 0.00 176.35 177.29 1rrl n PRO 488 N 1.45 1.65 -3.75 1.29 -0.04 -1.26 -4.87 135.00 129.46 1rrl n PRO 488 Ca -0.17 0.60 -0.13 0.00 -0.04 0.00 0.00 63.50 63.76 1rrl n PRO 488 Cb 0.52 -2.47 -0.10 0.00 -0.04 0.00 0.00 33.50 31.42 1rrl n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rrl s ALA 489 N -1.29 -0.83 -0.11 0.55 0.00 -1.26 -5.05 121.76 113.76 1rrl s ALA 489 Ca 0.69 0.69 0.02 0.00 0.00 0.00 0.00 51.96 53.36 1rrl s ALA 489 Cb -0.44 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 1rrl s ALA 489 CO 0.51 -0.21 0.14 -0.40 0.00 0.00 0.00 175.76 175.80 1rrl n ASP 490 N 2.15 0.22 -4.72 0.00 3.85 -1.26 -4.35 116.55 112.44 1rrl n ASP 490 Ca -0.17 -0.61 -0.32 0.00 -0.71 0.00 0.00 54.79 52.99 1rrl n ASP 490 Cb 0.57 0.88 -0.08 0.00 -1.35 0.00 0.00 41.12 41.14 1rrl n ASP 490 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 1rrl s GLU 491 N -1.06 2.79 1.44 0.11 2.12 -1.26 -4.84 118.70 118.00 1rrl s GLU 491 Ca 0.01 -0.67 0.00 0.00 0.36 0.00 0.00 54.97 54.67 1rrl s GLU 491 Cb 0.01 -2.68 0.00 0.00 0.26 0.00 0.00 34.13 31.73 1rrl s GLU 491 CO 0.07 0.59 0.00 0.41 -0.54 0.00 0.00 175.26 175.80 1rrl n GLY 492 N 0.94 -1.38 0.41 -1.50 0.00 -1.26 -3.12 105.19 99.29 1rrl n GLY 492 Ca -0.12 -1.13 0.23 0.00 0.00 0.00 0.00 46.02 45.00 1rrl n GLY 492 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1rrl h VAL 493 N -0.21 0.67 0.00 1.61 3.04 -1.93 0.26 116.25 119.68 1rrl h VAL 493 Ca 0.00 -0.02 -0.01 0.00 -1.01 0.00 0.00 66.70 65.67 1rrl h VAL 493 Cb 0.21 0.61 -0.00 0.00 -2.01 0.00 0.00 31.29 30.10 1rrl h VAL 493 CO 0.00 0.01 -0.05 -0.33 -1.01 0.00 0.00 177.57 176.19 1rrl h GLU 494 N 0.05 0.00 -0.13 4.17 3.07 -1.98 -1.27 114.58 118.48 1rrl h GLU 494 Ca 0.34 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 59.06 1rrl h GLU 494 Cb 1.28 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.18 1rrl h GLU 494 CO -0.02 0.05 -0.52 0.66 -1.40 0.00 0.00 179.01 177.78 1rrl h SER 495 N 0.00 0.41 -0.13 1.42 4.64 -0.87 -1.88 113.55 117.13 1rrl h SER 495 Ca -0.00 -0.21 -0.22 0.00 -0.47 0.00 0.00 61.79 60.89 1rrl h SER 495 Cb 0.17 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1rrl h SER 495 CO 0.01 0.85 -0.77 0.28 -0.87 0.00 0.00 176.83 176.33 1rrl h SER 496 N 0.29 0.92 -0.58 4.97 0.02 -1.44 -0.21 113.55 117.52 1rrl h SER 496 Ca 0.01 -0.60 0.01 0.00 -0.84 0.00 0.00 61.79 60.37 1rrl h SER 496 Cb 1.01 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 1rrl h SER 496 CO 0.09 1.40 0.38 0.40 -1.14 0.00 0.00 176.83 177.95 1rrl h ILE 497 N 0.53 1.13 -0.70 3.27 2.04 -1.25 -1.22 117.51 121.32 1rrl h ILE 497 Ca -0.05 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 1rrl h ILE 497 Cb 1.40 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1rrl h ILE 497 CO 0.16 0.14 0.23 -0.25 0.00 0.00 0.00 178.15 178.43 1rrl h TRP 498 N 0.76 1.10 -0.00 1.37 2.91 -1.06 0.81 115.95 121.84 1rrl h TRP 498 Ca 0.22 -0.10 -0.09 0.00 1.13 0.00 0.00 58.89 60.04 1rrl h TRP 498 Cb -0.06 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 28.25 1rrl h TRP 498 CO -0.04 0.88 -0.44 1.25 -1.03 0.00 0.00 178.44 179.06 1rrl h LEU 499 N 1.01 0.01 -0.79 0.65 5.85 -0.73 -1.25 115.31 120.07 1rrl h LEU 499 Ca 0.23 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 1rrl h LEU 499 Cb 0.28 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1rrl h LEU 499 CO -0.01 0.44 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.42 1rrl h LEU 500 N 0.01 0.85 -1.40 2.25 3.38 -0.25 -2.01 115.31 118.14 1rrl h LEU 500 Ca -0.00 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1rrl h LEU 500 Cb 0.77 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1rrl h LEU 500 CO 0.06 0.94 0.11 0.00 0.09 0.00 0.00 178.44 179.63 1rrl h ALA 501 N 1.15 1.53 -0.25 1.53 0.00 0.25 -0.96 119.26 122.50 1rrl h ALA 501 Ca 0.14 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1rrl h ALA 501 Cb 0.54 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1rrl h ALA 501 CO 0.03 0.36 -0.13 0.87 0.00 0.00 0.00 179.25 180.38 1rrl h LYS 502 N 0.50 0.53 -0.79 0.00 1.57 -1.08 -3.07 116.57 114.23 1rrl h LYS 502 Ca 0.12 -0.23 0.07 0.00 -1.87 0.00 0.00 60.65 58.74 1rrl h LYS 502 Cb 0.16 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.40 1rrl h LYS 502 CO -0.01 0.79 0.46 0.00 -0.57 0.00 0.00 179.45 180.13 1rrl h ALA 503 N 0.72 1.09 -0.49 3.86 0.00 -0.70 0.82 119.26 124.57 1rrl h ALA 503 Ca 0.05 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1rrl h ALA 503 Cb 0.64 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1rrl h ALA 503 CO 0.04 0.15 0.33 1.88 0.00 0.00 0.00 179.25 181.64 1rrl h TYR 504 N 0.82 0.59 0.35 0.00 0.05 -1.22 -2.01 116.97 115.54 1rrl h TYR 504 Ca 0.36 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 59.14 1rrl h TYR 504 Cb 0.24 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 37.79 1rrl h TYR 504 CO -0.06 0.36 -0.17 0.28 -1.05 0.00 0.00 178.16 177.52 1rrl h VAL 505 N 0.62 0.53 -1.00 -2.88 2.07 -1.11 -3.07 116.25 111.40 1rrl h VAL 505 Ca 0.19 -0.66 0.24 0.00 0.82 0.00 0.00 66.70 67.29 1rrl h VAL 505 Cb -0.00 0.80 -0.09 0.00 -1.52 0.00 0.00 31.29 30.47 1rrl h VAL 505 CO -0.04 0.10 0.64 0.58 0.02 0.00 0.00 177.57 178.87 1rrl h VAL 506 N -0.91 0.59 -0.09 2.57 2.07 -0.72 0.11 116.25 119.87 1rrl h VAL 506 Ca -0.05 -0.16 -0.16 0.00 0.82 0.00 0.00 66.70 67.16 1rrl h VAL 506 Cb 0.53 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1rrl h VAL 506 CO 0.08 0.08 -0.63 1.62 0.02 0.00 0.00 177.57 178.75 1rrl h VAL 507 N 0.46 1.38 -0.74 2.57 3.04 -1.43 2.23 116.25 123.75 1rrl h VAL 507 Ca 0.57 -2.00 -0.04 0.00 -1.01 0.00 0.00 66.70 64.22 1rrl h VAL 507 Cb 1.33 1.99 -0.03 0.00 -2.01 0.00 0.00 31.29 32.57 1rrl h VAL 507 CO -0.29 0.60 0.31 0.78 -1.01 0.00 0.00 177.57 177.96 1rrl h ASN 508 N 0.24 1.01 -0.04 3.17 -0.26 -0.74 -2.97 115.58 116.00 1rrl h ASN 508 Ca -0.01 -0.16 -0.05 0.00 -0.56 0.00 0.00 56.30 55.52 1rrl h ASN 508 Cb 1.16 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 38.16 1rrl h ASN 508 CO 0.10 0.89 -0.16 -0.78 -1.06 0.00 0.00 177.43 176.43 1rrl h ASP 509 N 1.05 0.20 -0.83 5.81 3.58 0.16 -1.77 116.42 124.63 1rrl h ASP 509 Ca 0.25 -0.65 0.16 0.00 0.42 0.00 0.00 57.03 57.21 1rrl h ASP 509 Cb 0.19 -0.06 -0.16 0.00 1.72 0.00 0.00 39.33 41.03 1rrl h ASP 509 CO -0.02 0.82 -0.22 -1.28 -2.88 0.00 0.00 179.24 175.65 1rrl h SER 510 N -0.40 -0.81 0.40 2.28 0.87 0.35 0.25 113.55 116.50 1rrl h SER 510 Ca -0.01 0.25 -0.17 0.00 -1.23 0.00 0.00 61.79 60.63 1rrl h SER 510 Cb 0.81 0.53 -0.01 0.00 -0.44 0.00 0.00 62.40 63.29 1rrl h SER 510 CO 0.03 -0.28 -0.73 0.00 -0.53 0.00 0.00 176.83 175.33 1rrl h TYR 512 N 0.18 0.42 -0.50 0.00 5.03 -0.54 -1.91 116.97 119.65 1rrl h TYR 512 Ca -0.03 -0.20 0.05 0.00 2.58 0.00 0.00 58.73 61.13 1rrl h TYR 512 Cb 1.29 -0.06 -0.06 0.00 1.55 0.00 0.00 36.73 39.45 1rrl h TYR 512 CO 0.03 0.95 -0.32 1.25 -1.32 0.00 0.00 178.16 178.76 1rrl h HIS 513 N -0.23 -1.01 -0.03 -3.82 2.76 -0.57 0.23 115.15 112.47 1rrl h HIS 513 Ca -0.03 0.07 0.03 0.00 -2.20 0.00 0.00 60.37 58.24 1rrl h HIS 513 Cb 1.01 0.51 -0.04 0.00 1.55 0.00 0.00 27.41 30.44 1rrl h HIS 513 CO 0.14 -0.21 -0.18 0.37 -1.30 0.00 0.00 177.93 176.75 1rrl h GLN 514 N -0.03 -0.27 0.10 5.26 5.75 -1.38 0.47 115.11 125.01 1rrl h GLN 514 Ca 0.08 0.02 -0.29 0.00 -0.15 0.00 0.00 58.65 58.31 1rrl h GLN 514 Cb 0.23 0.06 0.03 0.00 1.07 0.00 0.00 27.48 28.87 1rrl h GLN 514 CO -0.49 -0.18 -1.20 -0.07 -2.65 0.00 0.00 178.83 174.25 1rrl h LEU 515 N -0.28 0.88 0.00 -2.39 -0.00 -1.30 0.55 115.31 112.77 1rrl h LEU 515 Ca 0.07 -0.81 -0.26 0.00 -0.00 0.00 0.00 57.88 56.87 1rrl h LEU 515 Cb 0.37 -0.28 -0.04 0.00 -0.00 0.00 0.00 40.66 40.71 1rrl h LEU 515 CO -0.20 1.60 -1.88 0.52 -0.00 0.00 0.00 178.44 178.48 1rrl n VAL 516 N -3.82 0.87 0.07 1.22 0.31 0.75 -1.26 118.33 116.47 1rrl n VAL 516 Ca -0.13 -0.23 -0.08 0.00 -0.01 0.00 0.00 64.34 63.89 1rrl n VAL 516 Cb 0.96 -1.67 0.05 0.00 -0.91 0.00 0.00 33.84 32.27 1rrl n VAL 516 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1rrl h SER 517 N -0.53 0.38 0.00 4.52 0.02 -1.05 0.26 113.55 117.15 1rrl h SER 517 Ca -0.40 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.30 1rrl h SER 517 Cb 1.36 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1rrl h SER 517 CO -0.23 0.97 0.00 1.57 -1.14 0.00 0.00 176.83 178.00 1rrl n HIS 518 N -3.82 0.00 0.00 3.45 -0.00 0.16 -4.30 115.22 110.71 1rrl n HIS 518 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.68 1rrl n HIS 518 Cb 0.70 -0.12 0.00 0.00 -0.00 0.00 0.00 29.99 30.57 1rrl n HIS 518 CO 0.00 0.00 0.00 1.87 -0.00 0.00 0.00 176.34 178.21 1rrl n TRP 519 N -1.90 0.00 0.05 1.57 -0.00 0.18 -2.77 117.44 114.57 1rrl n TRP 519 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.36 1rrl n TRP 519 Cb 0.00 -0.18 -0.09 0.00 -0.00 0.00 0.00 31.31 31.05 1rrl n TRP 519 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1rrl h LEU 520 N 0.00 -1.46 -0.97 5.87 5.85 -1.22 -0.66 115.31 122.72 1rrl h LEU 520 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1rrl h LEU 520 Cb 0.00 0.56 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1rrl h LEU 520 CO 0.00 -0.46 0.00 0.78 -0.34 0.00 0.00 178.44 178.42 1rrl h ASN 521 N -0.59 0.00 0.00 1.25 -0.26 -0.60 -2.17 115.58 113.20 1rrl h ASN 521 Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 1rrl h ASN 521 Cb 0.63 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.89 1rrl h ASN 521 CO -0.32 0.00 0.00 0.35 -1.06 0.00 0.00 177.43 176.40 1rrl n THR 522 N -2.68 0.00 -0.26 2.81 -2.24 -1.11 -4.76 114.28 106.04 1rrl n THR 522 Ca 0.02 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.68 1rrl n THR 522 Cb 0.29 -0.54 -0.09 0.00 -2.10 0.00 0.00 70.33 67.89 1rrl n THR 522 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1rrl h HIS 523 N 0.00 -1.68 -0.01 4.78 3.86 -1.51 -2.03 115.15 118.56 1rrl h HIS 523 Ca 0.00 0.10 -0.21 0.00 -1.16 0.00 0.00 60.37 59.10 1rrl h HIS 523 Cb 0.00 0.82 -0.00 0.00 1.06 0.00 0.00 27.41 29.28 1rrl h HIS 523 CO 0.00 -0.40 -0.87 0.00 0.86 0.00 0.00 177.93 177.52 1rrl h ALA 524 N 0.12 0.47 0.00 2.45 0.00 -1.19 -3.03 119.26 118.09 1rrl h ALA 524 Ca 0.11 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1rrl h ALA 524 Cb 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1rrl h ALA 524 CO -0.71 0.84 -0.08 -0.24 0.00 0.00 0.00 179.25 179.05 1rrl h VAL 525 N 0.19 0.00 0.12 0.00 3.04 -1.12 -3.27 116.25 115.21 1rrl h VAL 525 Ca -0.06 -0.54 -0.34 0.00 -1.01 0.00 0.00 66.70 64.75 1rrl h VAL 525 Cb 1.49 1.48 -0.02 0.00 -2.01 0.00 0.00 31.29 32.24 1rrl h VAL 525 CO 0.14 0.00 -1.86 0.58 -1.01 0.00 0.00 177.57 175.43 1rrl h VAL 526 N 0.00 0.77 -0.86 1.51 2.07 -1.38 -3.38 116.25 114.97 1rrl h VAL 526 Ca 0.00 -2.48 0.14 0.00 0.82 0.00 0.00 66.70 65.18 1rrl h VAL 526 Cb 0.77 2.57 -0.14 0.00 -1.52 0.00 0.00 31.29 32.96 1rrl h VAL 526 CO 0.00 0.82 -0.32 1.21 0.02 0.00 0.00 177.57 179.30 1rrl n GLU 527 N -3.43 -0.19 -0.25 1.57 2.13 -1.15 -1.69 120.64 117.63 1rrl n GLU 527 Ca -0.26 1.33 -0.00 0.00 0.66 0.00 0.00 57.16 58.88 1rrl n GLU 527 Cb 1.05 -1.98 0.12 0.00 0.27 0.00 0.00 31.44 30.90 1rrl n GLU 527 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1rrl h PRO 528 N 0.00 0.72 -0.93 5.31 0.11 -1.75 -1.01 132.00 134.46 1rrl h PRO 528 Ca 0.31 -0.04 0.20 0.00 0.11 0.00 0.00 66.00 66.58 1rrl h PRO 528 Cb 0.53 -0.16 -0.11 0.00 0.11 0.00 0.00 31.00 31.36 1rrl h PRO 528 CO -0.86 0.48 0.49 0.74 -0.21 0.00 0.00 178.00 178.64 1rrl h PHE 529 N 0.75 0.85 -0.32 0.65 0.04 -1.54 -0.83 116.94 116.53 1rrl h PHE 529 Ca 0.33 0.04 -0.11 0.00 2.80 0.00 0.00 57.97 61.03 1rrl h PHE 529 Cb 0.22 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 1rrl h PHE 529 CO -0.07 0.10 -0.22 0.82 -0.60 0.00 0.00 178.31 178.33 1rrl h ILE 530 N 0.57 1.29 0.10 -0.55 2.04 -0.90 -1.52 117.51 118.56 1rrl h ILE 530 Ca 0.56 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 1rrl h ILE 530 Cb 0.95 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1rrl h ILE 530 CO -0.44 0.44 -0.05 0.40 0.00 0.00 0.00 178.15 178.50 1rrl h ILE 531 N 0.48 0.93 -0.26 -0.67 2.04 -1.20 -2.69 117.51 116.13 1rrl h ILE 531 Ca 0.06 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.86 1rrl h ILE 531 Cb 0.78 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 1rrl h ILE 531 CO 0.06 0.03 -0.01 0.00 0.00 0.00 0.00 178.15 178.22 1rrl h ALA 532 N 0.70 0.22 -0.57 1.87 0.00 -1.14 -2.29 119.26 118.05 1rrl h ALA 532 Ca -0.01 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1rrl h ALA 532 Cb 0.15 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 1rrl h ALA 532 CO 0.02 -0.43 0.04 1.15 0.00 0.00 0.00 179.25 180.04 1rrl h THR 533 N 0.06 0.59 0.00 0.00 2.02 -1.29 -0.05 112.91 114.24 1rrl h THR 533 Ca 0.13 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1rrl h THR 533 Cb 0.17 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1rrl h THR 533 CO -0.23 0.03 0.00 0.78 0.37 0.00 0.00 175.52 176.47 1rrl h ASN 534 N 0.16 0.00 0.83 4.18 2.35 -1.36 0.59 115.58 122.33 1rrl h ASN 534 Ca 0.29 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.98 1rrl h ASN 534 Cb 0.45 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 1rrl h ASN 534 CO -0.44 0.00 -1.22 0.54 -1.65 0.00 0.00 177.43 174.66 1rrl n ARG 535 N -2.76 0.61 0.00 0.81 1.74 -0.87 -4.62 116.66 111.57 1rrl n ARG 535 Ca 0.04 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 1rrl n ARG 535 Cb 0.46 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1rrl n ARG 535 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1rrl n HIS 536 N -2.74 0.00 -4.14 -1.55 8.25 -0.07 -4.80 115.22 110.17 1rrl n HIS 536 Ca -0.04 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.07 1rrl n HIS 536 Cb 0.67 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.65 1rrl n HIS 536 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1rrl s LEU 537 N -2.15 3.12 0.94 2.41 1.02 0.19 -4.60 118.68 119.61 1rrl s LEU 537 Ca 0.00 -0.25 -0.11 0.00 0.02 0.00 0.00 54.13 53.79 1rrl s LEU 537 Cb 0.00 -1.78 0.15 0.00 0.02 0.00 0.00 46.19 44.58 1rrl s LEU 537 CO 0.00 0.07 1.09 -0.55 0.02 0.00 0.00 176.35 176.98 1rrl s SER 538 N 0.98 3.00 0.52 2.29 0.15 -1.26 -4.62 113.70 114.76 1rrl s SER 538 Ca 0.01 1.65 0.35 0.00 0.70 0.00 0.00 55.95 58.65 1rrl s SER 538 Cb -0.14 -2.29 1.76 0.00 -1.71 0.00 0.00 66.02 63.64 1rrl s SER 538 CO 0.01 -2.96 2.05 -0.37 1.20 0.00 0.00 173.24 173.17 1rrl h VAL 539 N -1.77 0.00 0.00 4.45 -1.51 -1.95 -1.82 116.25 113.65 1rrl h VAL 539 Ca -0.50 -0.13 -0.04 0.00 -1.23 0.00 0.00 66.70 64.80 1rrl h VAL 539 Cb 1.29 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.41 1rrl h VAL 539 CO 0.51 0.00 -1.01 0.58 -1.23 0.00 0.00 177.57 176.42 1rrl h VAL 540 N 0.00 0.14 -3.84 7.19 2.07 -1.88 -3.43 116.25 116.50 1rrl h VAL 540 Ca 0.00 -1.27 -0.52 0.00 0.82 0.00 0.00 66.70 65.73 1rrl h VAL 540 Cb 0.14 1.69 0.06 0.00 -1.52 0.00 0.00 31.29 31.65 1rrl h VAL 540 CO 0.00 0.08 0.63 -2.28 0.02 0.00 0.00 177.57 176.02 1rrl s HIS 541 N -3.24 3.10 0.48 1.57 5.04 -0.69 -1.47 115.29 120.09 1rrl s HIS 541 Ca -0.00 1.42 0.15 0.00 -1.54 0.00 0.00 55.06 55.08 1rrl s HIS 541 Cb 0.09 -3.65 1.15 0.00 0.04 0.00 0.00 32.58 30.21 1rrl s HIS 541 CO 0.79 -1.77 2.08 -1.00 -2.34 0.00 0.00 174.74 172.49 1rrl h PRO 542 N 3.56 0.20 0.02 2.88 0.13 -1.90 -2.83 132.00 134.07 1rrl h PRO 542 Ca -0.48 -0.01 -0.24 0.00 -0.87 0.00 0.00 66.00 64.40 1rrl h PRO 542 Cb 1.22 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1rrl h PRO 542 CO 0.66 0.13 -1.20 0.82 -0.23 0.00 0.00 178.00 178.19 1rrl h ILE 543 N 0.21 1.48 -0.58 -3.56 1.08 -1.94 -0.62 117.51 113.57 1rrl h ILE 543 Ca 0.12 -3.21 0.04 0.00 -0.39 0.00 0.00 64.86 61.42 1rrl h ILE 543 Cb 0.23 2.76 -0.04 0.00 -3.07 0.00 0.00 36.82 36.69 1rrl h ILE 543 CO -0.02 0.86 0.34 0.22 -0.69 0.00 0.00 178.15 178.85 1rrl h TYR 544 N 0.01 0.63 -0.09 1.37 5.03 -1.81 0.05 116.97 122.15 1rrl h TYR 544 Ca -0.09 0.02 -0.21 0.00 2.58 0.00 0.00 58.73 61.03 1rrl h TYR 544 Cb 1.85 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 39.94 1rrl h TYR 544 CO 0.01 0.34 -0.80 0.87 -1.32 0.00 0.00 178.16 177.26 1rrl h LYS 545 N 0.65 0.58 -0.02 1.82 1.57 -1.23 0.18 116.57 120.12 1rrl h LYS 545 Ca 0.25 -0.50 0.02 0.00 -1.87 0.00 0.00 60.65 58.55 1rrl h LYS 545 Cb 0.08 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1rrl h LYS 545 CO -0.13 1.12 -0.10 1.25 -0.57 0.00 0.00 179.45 181.02 1rrl h LEU 546 N 0.39 -0.30 0.13 2.94 5.85 -0.99 -3.29 115.31 120.03 1rrl h LEU 546 Ca -0.05 0.05 -0.29 0.00 0.84 0.00 0.00 57.88 58.43 1rrl h LEU 546 Cb 1.40 0.14 0.02 0.00 0.37 0.00 0.00 40.66 42.59 1rrl h LEU 546 CO 0.15 -0.15 -1.28 -0.07 -0.34 0.00 0.00 178.44 176.75 1rrl h LEU 547 N -0.17 0.64 -1.39 2.25 4.07 -0.92 -3.39 115.31 116.39 1rrl h LEU 547 Ca 0.05 -0.64 0.14 0.00 0.08 0.00 0.00 57.88 57.50 1rrl h LEU 547 Cb 0.23 -0.20 -0.06 0.00 1.08 0.00 0.00 40.66 41.70 1rrl h LEU 547 CO -0.12 1.49 0.54 -0.74 -1.08 0.00 0.00 178.44 178.53 1rrl h HIS 548 N 0.15 0.70 -0.79 1.13 2.76 -0.71 -0.50 115.15 117.89 1rrl h HIS 548 Ca -0.17 0.02 0.11 0.00 -2.20 0.00 0.00 60.37 58.13 1rrl h HIS 548 Cb 1.98 -0.22 -0.05 0.00 1.55 0.00 0.00 27.41 30.66 1rrl h HIS 548 CO 0.09 0.27 0.52 -1.35 -1.30 0.00 0.00 177.93 176.15 1rrl h PRO 549 N 0.60 0.64 -0.66 5.26 0.10 -1.76 -2.92 132.00 133.26 1rrl h PRO 549 Ca 0.41 -0.04 0.00 0.00 0.10 0.00 0.00 66.00 66.47 1rrl h PRO 549 Cb 0.73 -0.15 0.00 0.00 0.10 0.00 0.00 31.00 31.69 1rrl h PRO 549 CO -0.17 0.43 0.00 0.72 0.10 0.00 0.00 178.00 179.08 1rrl n HIS 550 N -4.51 0.22 -0.18 0.65 8.25 -0.20 -2.82 115.22 116.63 1rrl n HIS 550 Ca 0.14 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1rrl n HIS 550 Cb 0.37 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.38 1rrl n HIS 550 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1rrl n TYR 551 N -0.02 0.00 -1.72 4.41 4.02 -1.10 -4.43 117.16 118.32 1rrl n TYR 551 Ca 0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.50 1rrl n TYR 551 Cb 0.27 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.56 1rrl n TYR 551 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1rrl s ARG 552 N -0.15 3.66 0.00 -0.72 3.52 -1.13 -2.36 118.95 121.78 1rrl s ARG 552 Ca 0.00 2.21 0.00 0.00 -0.13 0.00 0.00 55.73 57.81 1rrl s ARG 552 Cb 0.00 -4.23 0.00 0.00 -1.56 0.00 0.00 34.95 29.16 1rrl s ARG 552 CO 0.00 -1.49 0.00 -3.47 -0.81 0.00 0.00 175.30 169.53 1rrl n ASP 553 N 9.43 -0.24 -0.02 -2.12 2.03 -1.26 -4.19 116.55 120.19 1rrl n ASP 553 Ca 0.24 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.45 1rrl n ASP 553 Cb 0.43 -0.77 -0.04 0.00 -0.72 0.00 0.00 41.12 40.02 1rrl n ASP 553 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1rrl h THR 554 N 0.00 0.93 0.00 5.18 2.02 -1.41 0.17 112.91 119.80 1rrl h THR 554 Ca 0.00 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1rrl h THR 554 Cb 0.02 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1rrl h THR 554 CO 0.00 0.01 -0.05 0.24 0.37 0.00 0.00 175.52 176.10 1rrl h MET 555 N 0.07 0.00 0.19 6.66 2.86 -1.87 -1.58 114.93 121.26 1rrl h MET 555 Ca 0.06 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.44 1rrl h MET 555 Cb 0.06 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.75 1rrl h MET 555 CO -0.09 0.05 -1.21 -0.97 1.06 0.00 0.00 176.91 175.74 1rrl h ASN 556 N 0.00 0.62 0.47 1.22 -1.24 -1.57 -0.07 115.58 115.00 1rrl h ASN 556 Ca -0.00 -0.93 -0.00 0.00 0.71 0.00 0.00 56.30 56.08 1rrl h ASN 556 Cb 0.16 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.01 1rrl h ASN 556 CO 0.01 1.57 -0.01 -0.29 -1.29 0.00 0.00 177.43 177.42 1rrl h ILE 557 N -0.13 0.03 0.00 2.57 6.09 -0.61 -3.06 117.51 122.39 1rrl h ILE 557 Ca -0.22 -0.25 -0.26 0.00 -1.37 0.00 0.00 64.86 62.76 1rrl h ILE 557 Cb 1.89 1.24 -0.05 0.00 0.47 0.00 0.00 36.82 40.38 1rrl h ILE 557 CO 0.19 0.01 -1.64 0.59 -3.07 0.00 0.00 178.15 174.23 1rrl n ASN 558 N -3.11 0.86 0.18 2.19 3.02 -0.60 -1.97 115.26 115.83 1rrl n ASN 558 Ca -0.01 0.40 0.06 0.00 -0.03 0.00 0.00 54.58 55.00 1rrl n ASN 558 Cb 0.18 0.00 0.29 0.00 -0.61 0.00 0.00 39.78 39.65 1rrl n ASN 558 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1rrl h GLY 559 N 3.57 0.00 0.98 7.41 0.00 -1.01 -1.66 103.07 112.36 1rrl h GLY 559 Ca -0.26 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 1rrl h GLY 559 CO 0.07 0.00 -0.08 -2.00 0.00 0.00 0.00 176.54 174.53 1rrl h LEU 560 N 0.00 0.78 -0.60 3.11 5.85 -1.57 -1.51 115.31 121.37 1rrl h LEU 560 Ca -0.00 -0.35 -0.10 0.00 0.84 0.00 0.00 57.88 58.26 1rrl h LEU 560 Cb 0.98 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1rrl h LEU 560 CO 0.05 0.95 -0.03 0.00 -0.34 0.00 0.00 178.44 179.06 1rrl h ALA 561 N 0.86 0.81 -0.51 1.25 0.00 -1.11 0.79 119.26 121.35 1rrl h ALA 561 Ca 0.11 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1rrl h ALA 561 Cb 0.60 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1rrl h ALA 561 CO 0.04 0.68 0.17 0.00 0.00 0.00 0.00 179.25 180.14 1rrl h ARG 562 N 0.97 0.74 -0.05 0.00 3.08 -1.31 0.56 114.38 118.37 1rrl h ARG 562 Ca 0.16 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 1rrl h ARG 562 Cb 0.60 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1rrl h ARG 562 CO 0.04 0.63 -0.29 1.25 -1.07 0.00 0.00 179.97 180.53 1rrl h LEU 563 N 0.73 0.34 0.00 3.04 5.85 -0.49 -3.39 115.31 121.38 1rrl h LEU 563 Ca 0.17 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1rrl h LEU 563 Cb 0.19 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1rrl h LEU 563 CO -0.01 0.96 -0.15 -1.20 -0.34 0.00 0.00 178.44 177.70 1rrl n SER 564 N -4.46 0.75 -0.06 1.25 7.64 0.27 -4.77 113.62 114.23 1rrl n SER 564 Ca -0.09 -0.22 -0.09 0.00 1.01 0.00 0.00 58.87 59.49 1rrl n SER 564 Cb 0.49 0.59 -0.06 0.00 -1.01 0.00 0.00 64.21 64.22 1rrl n SER 564 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1rrl n LEU 565 N -0.66 2.95 -0.74 -3.43 4.32 0.72 -2.54 117.00 117.62 1rrl n LEU 565 Ca 0.00 -0.07 0.07 0.00 -0.02 0.00 0.00 56.01 55.99 1rrl n LEU 565 Cb 0.00 -0.43 0.20 0.00 -1.62 0.00 0.00 43.42 41.58 1rrl n LEU 565 CO 0.00 0.70 0.66 0.55 -1.22 0.00 0.00 177.39 178.09 1rrl n VAL 566 N -2.86 1.67 -2.95 4.08 3.14 0.16 -1.63 118.33 119.95 1rrl n VAL 566 Ca -0.22 -1.47 -0.18 0.00 -2.96 0.00 0.00 64.34 59.51 1rrl n VAL 566 Cb 0.74 0.10 0.03 0.00 -1.06 0.00 0.00 33.84 33.65 1rrl n VAL 566 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1rrl s ASN 567 N -1.51 5.46 -0.05 6.55 6.03 -1.25 -4.92 114.94 125.26 1rrl s ASN 567 Ca 0.32 -0.43 -0.30 0.00 -1.03 0.00 0.00 52.86 51.42 1rrl s ASN 567 Cb 0.23 -0.50 -0.06 0.00 -3.03 0.00 0.00 41.25 37.90 1rrl s ASN 567 CO 0.12 -0.96 1.65 1.51 -2.03 0.00 0.00 177.10 177.39 1rrl s ASP 568 N -4.43 6.67 -0.42 3.54 1.47 -0.88 -1.62 116.67 121.01 1rrl s ASP 568 Ca 0.57 2.23 0.00 0.00 1.18 0.00 0.00 52.55 56.53 1rrl s ASP 568 Cb -0.09 -2.53 0.00 0.00 -0.34 0.00 0.00 42.92 39.95 1rrl s ASP 568 CO 0.35 -0.92 0.00 0.61 0.68 0.00 0.00 175.17 175.89 1rrl n GLY 569 N 4.12 0.66 0.00 2.12 0.00 -1.26 -5.00 105.19 105.82 1rrl n GLY 569 Ca 0.17 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1rrl n GLY 569 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rrl n GLY 570 N -1.87 -1.00 0.11 -0.02 0.00 -0.64 -4.75 105.19 97.02 1rrl n GLY 570 Ca -0.04 -1.66 -0.01 0.00 0.00 0.00 0.00 46.02 44.31 1rrl n GLY 570 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1rrl h VAL 571 N -0.69 1.08 -0.12 1.61 -1.51 -1.51 -2.22 116.25 112.89 1rrl h VAL 571 Ca 0.00 -2.57 -0.22 0.00 -1.23 0.00 0.00 66.70 62.67 1rrl h VAL 571 Cb 0.00 2.51 0.01 0.00 -2.13 0.00 0.00 31.29 31.68 1rrl h VAL 571 CO 0.00 0.62 -0.81 0.40 -1.23 0.00 0.00 177.57 176.55 1rrl h ILE 572 N 0.00 1.30 -0.05 7.19 2.04 -1.58 0.10 117.51 126.50 1rrl h ILE 572 Ca -0.03 -2.04 0.01 0.00 1.00 0.00 0.00 64.86 63.80 1rrl h ILE 572 Cb 1.54 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 39.67 1rrl h ILE 572 CO 0.08 0.64 -0.02 -0.33 0.00 0.00 0.00 178.15 178.52 1rrl h GLU 573 N 0.48 -0.01 0.00 2.37 5.08 -1.73 -0.17 114.58 120.60 1rrl h GLU 573 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1rrl h GLU 573 Cb 1.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1rrl h GLU 573 CO 0.16 -0.01 0.00 1.04 -1.00 0.00 0.00 179.01 179.20 1rrl n GLN 574 N -5.13 0.09 -0.08 2.33 6.02 -0.84 -3.86 117.38 115.92 1rrl n GLN 574 Ca -0.06 0.01 -0.10 0.00 -0.01 0.00 0.00 57.00 56.84 1rrl n GLN 574 Cb 0.06 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.74 1rrl n GLN 574 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1rrl n THR 575 N -1.46 0.95 -3.70 5.09 -1.04 0.01 -5.05 114.28 109.09 1rrl n THR 575 Ca 0.08 -0.43 -0.22 0.00 -2.04 0.00 0.00 64.05 61.44 1rrl n THR 575 Cb 0.31 -0.95 -0.04 0.00 -1.82 0.00 0.00 70.33 67.83 1rrl n THR 575 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1rrl s PHE 576 N -2.33 2.60 0.20 -1.42 0.08 -0.11 -4.33 117.98 112.67 1rrl s PHE 576 Ca -0.18 -0.54 -0.11 0.00 0.12 0.00 0.00 56.93 56.23 1rrl s PHE 576 Cb 0.05 -2.11 0.26 0.00 -0.57 0.00 0.00 43.02 40.65 1rrl s PHE 576 CO 0.44 -0.09 1.71 1.25 -0.10 0.00 0.00 175.22 178.43 1rrl h LEU 577 N 1.08 0.01 -0.61 -0.37 5.85 -1.43 -2.45 115.31 117.39 1rrl h LEU 577 Ca -0.41 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1rrl h LEU 577 Cb 1.27 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.44 1rrl h LEU 577 CO 0.60 0.02 0.00 0.79 -0.34 0.00 0.00 178.44 179.51 1rrl n TRP 578 N -5.12 0.73 -1.63 1.25 8.01 -1.26 -4.95 117.44 114.47 1rrl n TRP 578 Ca 0.08 0.28 0.00 0.00 -1.31 0.00 0.00 57.50 56.55 1rrl n TRP 578 Cb 0.29 -0.96 0.00 0.00 -2.01 0.00 0.00 31.31 28.63 1rrl n TRP 578 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1rrl n GLY 579 N 0.02 3.25 0.13 6.99 0.00 -0.92 -2.33 105.19 112.33 1rrl n GLY 579 Ca 0.02 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 45.93 1rrl n GLY 579 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1rrl n ARG 580 N 13.89 0.14 -0.11 1.61 1.85 -1.26 -1.66 116.66 131.13 1rrl n ARG 580 Ca 0.00 0.51 0.12 0.00 -1.00 0.00 0.00 57.85 57.48 1rrl n ARG 580 Cb 0.00 -1.86 0.24 0.00 -1.05 0.00 0.00 32.46 29.79 1rrl n ARG 580 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1rrl n TYR 581 N -2.15 0.28 0.07 2.89 4.01 -0.98 -4.60 117.16 116.68 1rrl n TYR 581 Ca 0.01 -0.14 -0.12 0.00 -0.16 0.00 0.00 57.90 57.49 1rrl n TYR 581 Cb 0.13 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.09 1rrl n TYR 581 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1rrl h SER 582 N 3.99 -0.18 -0.27 7.72 0.02 -1.38 -0.84 113.55 122.62 1rrl h SER 582 Ca 0.00 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.83 1rrl h SER 582 Cb 0.87 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 1rrl h SER 582 CO 0.00 -0.10 -0.32 0.58 -1.14 0.00 0.00 176.83 175.84 1rrl h VAL 583 N -0.15 1.28 0.00 2.27 2.07 -1.83 -2.79 116.25 117.10 1rrl h VAL 583 Ca 0.01 -1.48 -0.08 0.00 0.82 0.00 0.00 66.70 65.97 1rrl h VAL 583 Cb 0.15 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1rrl h VAL 583 CO -0.02 0.49 -0.39 1.05 0.02 0.00 0.00 177.57 178.71 1rrl h GLU 584 N 0.67 0.00 -0.05 1.57 4.11 -1.86 -2.76 114.58 116.26 1rrl h GLU 584 Ca 0.07 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.43 1rrl h GLU 584 Cb 0.87 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1rrl h GLU 584 CO 0.08 0.39 -0.30 0.52 0.07 0.00 0.00 179.01 179.77 1rrl h MET 585 N 0.00 0.09 -0.08 1.06 2.86 -0.88 -0.61 114.93 117.38 1rrl h MET 585 Ca -0.00 -0.03 -0.18 0.00 -2.06 0.00 0.00 59.70 57.43 1rrl h MET 585 Cb 0.71 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1rrl h MET 585 CO 0.05 0.39 -0.70 0.66 1.06 0.00 0.00 176.91 178.37 1rrl h SER 586 N 0.08 0.44 0.29 1.22 4.64 -1.42 0.18 113.55 118.98 1rrl h SER 586 Ca 0.01 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 1rrl h SER 586 Cb 0.58 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1rrl h SER 586 CO 0.04 1.01 -0.14 0.00 -0.87 0.00 0.00 176.83 176.87 1rrl h ALA 587 N 0.99 -0.38 -0.81 5.18 0.00 -1.14 0.12 119.26 123.22 1rrl h ALA 587 Ca -0.02 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 54.90 1rrl h ALA 587 Cb 1.27 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 19.12 1rrl h ALA 587 CO 0.12 -0.70 0.43 0.28 0.00 0.00 0.00 179.25 179.38 1rrl h VAL 588 N -0.42 0.82 0.00 0.00 2.07 -0.87 0.11 116.25 117.96 1rrl h VAL 588 Ca -0.04 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 1rrl h VAL 588 Cb 0.32 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1rrl h VAL 588 CO 0.06 0.12 -0.14 0.58 0.02 0.00 0.00 177.57 178.22 1rrl h VAL 589 N 0.68 0.62 0.00 2.57 2.07 -0.17 -2.57 116.25 119.45 1rrl h VAL 589 Ca 0.41 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1rrl h VAL 589 Cb 0.48 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1rrl h VAL 589 CO -0.30 0.14 -0.09 0.22 0.02 0.00 0.00 177.57 177.55 1rrl h TYR 590 N 0.00 0.00 -0.88 1.57 3.20 0.13 -1.93 116.97 119.06 1rrl h TYR 590 Ca -0.00 0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.05 1rrl h TYR 590 Cb 0.38 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 38.54 1rrl h TYR 590 CO 0.00 0.09 0.44 0.87 -1.64 0.00 0.00 178.16 177.92 1rrl h LYS 591 N 0.00 0.53 -0.30 1.82 1.57 -1.38 -1.57 116.57 117.23 1rrl h LYS 591 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1rrl h LYS 591 Cb 0.27 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1rrl h LYS 591 CO 0.01 0.35 0.00 -0.25 -0.57 0.00 0.00 179.45 178.99 1rrl n ASP 592 N -4.93 1.73 -4.64 0.86 8.00 -0.73 -4.88 116.55 111.97 1rrl n ASP 592 Ca 0.20 -1.95 -0.43 0.00 0.71 0.00 0.00 54.79 53.32 1rrl n ASP 592 Cb 0.53 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.41 1rrl n ASP 592 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1rrl s TRP 593 N -1.60 3.13 -0.21 1.24 -0.00 -0.59 -5.00 118.94 115.90 1rrl s TRP 593 Ca 0.24 1.15 -0.01 0.00 -0.00 0.00 0.00 56.10 57.48 1rrl s TRP 593 Cb 0.12 -3.72 0.01 0.00 -0.00 0.00 0.00 33.47 29.88 1rrl s TRP 593 CO 0.17 -0.79 -0.11 0.14 -0.00 0.00 0.00 176.95 176.36 1rrl s VAL 594 N 3.68 2.71 0.29 5.86 -7.23 -1.26 -5.03 120.40 119.42 1rrl s VAL 594 Ca 0.45 -0.84 0.06 0.00 -1.81 0.00 0.00 61.98 59.84 1rrl s VAL 594 Cb -0.12 -2.25 0.36 0.00 0.56 0.00 0.00 36.38 34.93 1rrl s VAL 594 CO 0.16 0.39 1.39 0.33 -0.31 0.00 0.00 175.10 177.07 1rrl n PHE 595 N 4.69 0.68 0.21 2.82 7.35 -1.26 -0.63 117.46 131.32 1rrl n PHE 595 Ca -0.19 1.07 0.12 0.00 -0.76 0.00 0.00 57.45 57.69 1rrl n PHE 595 Cb 0.49 -1.24 0.14 0.00 0.35 0.00 0.00 39.48 39.23 1rrl n PHE 595 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 1rrl h THR 596 N 0.00 0.00 -0.07 -2.13 1.35 -1.96 -2.53 112.91 107.57 1rrl h THR 596 Ca 0.59 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1rrl h THR 596 Cb 1.32 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 1rrl h THR 596 CO -0.80 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 174.94 1rrl n ASP 597 N -2.97 0.68 0.20 5.36 8.00 0.20 -2.94 116.55 125.08 1rrl n ASP 597 Ca 0.03 -1.59 0.12 0.00 0.71 0.00 0.00 54.79 54.06 1rrl n ASP 597 Cb 0.53 -0.05 0.18 0.00 -0.02 0.00 0.00 41.12 41.76 1rrl n ASP 597 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1rrl h GLN 598 N 0.88 0.00 -6.49 -1.24 1.08 -1.31 -3.31 115.11 104.72 1rrl h GLN 598 Ca 0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 1rrl h GLN 598 Cb 0.19 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.66 1rrl h GLN 598 CO 0.00 0.00 1.05 0.00 -0.95 0.00 0.00 178.83 178.93 1rrl s ALA 599 N -3.21 3.74 0.21 3.87 0.00 -1.15 -4.81 121.76 120.40 1rrl s ALA 599 Ca 0.07 1.35 -0.10 0.00 0.00 0.00 0.00 51.96 53.28 1rrl s ALA 599 Cb 0.06 -3.73 0.29 0.00 0.00 0.00 0.00 23.12 19.74 1rrl s ALA 599 CO 0.67 -1.15 1.71 1.25 0.00 0.00 0.00 175.76 178.24 1rrl h LEU 600 N 8.48 0.04 -0.77 0.00 5.85 -1.91 0.24 115.31 127.24 1rrl h LEU 600 Ca -0.44 0.11 0.12 0.00 0.84 0.00 0.00 57.88 58.50 1rrl h LEU 600 Cb 1.21 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 42.29 1rrl h LEU 600 CO 0.94 0.03 0.37 -0.65 -0.34 0.00 0.00 178.44 178.79 1rrl h PRO 601 N 0.28 0.56 -0.21 5.25 0.11 -1.97 -0.95 132.00 135.07 1rrl h PRO 601 Ca 0.31 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.24 1rrl h PRO 601 Cb 0.45 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1rrl h PRO 601 CO -0.39 0.37 -0.49 0.00 -0.21 0.00 0.00 178.00 177.29 1rrl h ALA 602 N 1.50 0.76 -0.75 -0.75 0.00 -1.41 -2.46 119.26 116.14 1rrl h ALA 602 Ca 0.40 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1rrl h ALA 602 Cb 0.52 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1rrl h ALA 602 CO -0.33 0.67 0.46 0.22 0.00 0.00 0.00 179.25 180.27 1rrl h ASP 603 N 0.45 0.90 0.51 0.00 3.58 -0.56 0.10 116.42 121.39 1rrl h ASP 603 Ca 0.02 -0.06 -0.13 0.00 0.42 0.00 0.00 57.03 57.29 1rrl h ASP 603 Cb 1.01 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.82 1rrl h ASP 603 CO 0.09 0.69 -0.57 -0.07 -2.88 0.00 0.00 179.24 176.50 1rrl h LEU 604 N 1.03 0.07 0.18 2.28 4.07 -0.99 -2.46 115.31 119.49 1rrl h LEU 604 Ca 0.27 -0.04 -0.26 0.00 0.08 0.00 0.00 57.88 57.93 1rrl h LEU 604 Cb -0.05 -0.02 0.02 0.00 1.08 0.00 0.00 40.66 41.69 1rrl h LEU 604 CO -0.05 0.63 -1.21 0.40 -1.08 0.00 0.00 178.44 177.13 1rrl h ILE 605 N 0.05 1.31 -0.56 1.22 2.04 -0.94 0.42 117.51 121.05 1rrl h ILE 605 Ca -0.00 -2.56 0.00 0.00 1.00 0.00 0.00 64.86 63.30 1rrl h ILE 605 Cb 1.02 3.04 -0.03 0.00 -0.74 0.00 0.00 36.82 40.11 1rrl h ILE 605 CO 0.08 0.76 0.36 0.50 0.00 0.00 0.00 178.15 179.85 1rrl h LYS 606 N -0.16 0.74 -0.00 2.37 3.64 -0.97 -1.72 116.57 120.48 1rrl h LYS 606 Ca -0.22 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1rrl h LYS 606 Cb 1.87 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.53 1rrl h LYS 606 CO 0.18 0.50 -0.02 0.54 -2.27 0.00 0.00 179.45 178.37 1rrl n ARG 607 N -4.69 0.66 -1.30 1.90 1.74 -0.93 -4.89 116.66 109.15 1rrl n ARG 607 Ca 0.03 -0.07 -0.10 0.00 -0.77 0.00 0.00 57.85 56.94 1rrl n ARG 607 Cb 0.03 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 29.92 1rrl n ARG 607 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rrl n GLY 608 N 1.21 1.18 0.25 -0.13 0.00 -0.65 -1.25 105.19 105.80 1rrl n GLY 608 Ca 0.17 -0.56 0.14 0.00 0.00 0.00 0.00 46.02 45.78 1rrl n GLY 608 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1rrl n MET 609 N -2.70 1.16 -3.48 1.61 2.81 0.14 -4.34 117.12 112.32 1rrl n MET 609 Ca -0.10 -0.50 -0.16 0.00 -1.81 0.00 0.00 57.70 55.13 1rrl n MET 609 Cb 0.34 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.32 1rrl n MET 609 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1rrl s ALA 610 N -2.18 -1.69 0.03 3.04 0.00 -0.57 -2.29 121.76 118.10 1rrl s ALA 610 Ca 0.36 0.97 0.03 0.00 0.00 0.00 0.00 51.96 53.33 1rrl s ALA 610 Cb 0.21 0.36 -0.02 0.00 0.00 0.00 0.00 23.12 23.67 1rrl s ALA 610 CO 0.40 -0.53 -0.11 -1.50 0.00 0.00 0.00 175.76 174.03 1rrl s ILE 611 N -2.23 0.81 0.14 0.00 2.07 -0.58 -4.10 121.20 117.32 1rrl s ILE 611 Ca -0.06 -0.88 -0.31 0.00 -1.41 0.00 0.00 60.65 57.98 1rrl s ILE 611 Cb -0.00 -0.77 -0.10 0.00 0.13 0.00 0.00 42.46 41.72 1rrl s ILE 611 CO 0.01 -0.09 1.57 -0.70 -1.91 0.00 0.00 174.94 173.81 1rrl s GLU 612 N -1.09 4.22 -0.37 3.50 2.12 -1.26 0.15 118.70 125.97 1rrl s GLU 612 Ca -0.02 2.33 0.05 0.00 0.36 0.00 0.00 54.97 57.69 1rrl s GLU 612 Cb -0.07 -3.25 0.17 0.00 0.26 0.00 0.00 34.13 31.24 1rrl s GLU 612 CO 0.01 -0.61 0.48 0.34 -0.54 0.00 0.00 175.26 174.93 1rrl s ASP 613 N 1.37 -0.03 0.00 -1.70 -1.08 0.17 -4.81 116.67 110.59 1rrl s ASP 613 Ca 0.70 -1.03 0.00 0.00 -0.52 0.00 0.00 52.55 51.70 1rrl s ASP 613 Cb -0.42 1.21 0.00 0.00 -1.46 0.00 0.00 42.92 42.24 1rrl s ASP 613 CO 0.31 -0.25 0.97 -0.81 0.52 0.00 0.00 175.17 175.91 1rrl n PRO 614 N 4.54 0.49 0.00 4.34 -0.04 -1.25 -1.94 135.00 141.14 1rrl n PRO 614 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1rrl n PRO 614 Cb 0.50 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 1rrl n PRO 614 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1rrl n SER 615 N 1.72 0.00 -4.85 3.54 7.64 -1.26 -5.01 113.62 115.40 1rrl n SER 615 Ca 0.00 -0.97 -0.25 0.00 1.01 0.00 0.00 58.87 58.66 1rrl n SER 615 Cb 0.25 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.40 1rrl n SER 615 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rrl n PRO 617 N -0.60 -0.29 0.00 0.00 -0.02 -1.26 -1.03 135.00 131.80 1rrl n PRO 617 Ca -0.08 1.14 0.11 0.00 -2.02 0.00 0.00 63.50 62.65 1rrl n PRO 617 Cb 0.55 -1.68 0.03 0.00 -0.02 0.00 0.00 33.50 32.38 1rrl n PRO 617 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1rrl n HIS 618 N -4.98 0.00 -0.17 6.00 8.25 -1.26 -4.90 115.22 118.15 1rrl n HIS 618 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1rrl n HIS 618 Cb 0.22 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.33 1rrl n HIS 618 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rrl n GLY 619 N 1.41 0.73 3.40 -1.41 0.00 -0.19 -5.04 105.19 104.08 1rrl n GLY 619 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1rrl n GLY 619 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rrl s ILE 620 N -2.19 2.07 -0.24 -0.61 -4.36 -1.25 0.44 121.20 115.06 1rrl s ILE 620 Ca 0.00 -2.25 0.02 0.00 -0.26 0.00 0.00 60.65 58.15 1rrl s ILE 620 Cb 0.00 -2.13 0.04 0.00 1.25 0.00 0.00 42.46 41.62 1rrl s ILE 620 CO 0.00 -0.47 -0.12 -0.60 0.24 0.00 0.00 174.94 173.99 1rrl s ARG 621 N -3.46 2.53 0.47 0.37 3.52 0.40 -4.63 118.95 118.16 1rrl s ARG 621 Ca 0.25 -1.15 -0.23 0.00 -0.13 0.00 0.00 55.73 54.46 1rrl s ARG 621 Cb -0.03 -2.83 -0.07 0.00 -1.56 0.00 0.00 34.95 30.45 1rrl s ARG 621 CO 0.10 -0.45 1.21 -0.51 -0.81 0.00 0.00 175.30 174.84 1rrl s LEU 622 N 1.19 4.01 0.02 -0.88 1.43 -1.26 -1.52 118.68 121.67 1rrl s LEU 622 Ca -0.04 2.41 0.21 0.00 -1.03 0.00 0.00 54.13 55.67 1rrl s LEU 622 Cb -0.18 -4.21 -0.20 0.00 0.03 0.00 0.00 46.19 41.63 1rrl s LEU 622 CO -0.07 -1.01 0.63 1.33 0.23 0.00 0.00 176.35 177.46 1rrl n VAL 623 N -0.51 0.57 -3.93 -1.59 0.24 -0.97 -4.55 118.33 107.59 1rrl n VAL 623 Ca 0.07 -0.60 -0.35 0.00 -2.04 0.00 0.00 64.34 61.43 1rrl n VAL 623 Cb 0.47 -0.29 -0.14 0.00 -1.47 0.00 0.00 33.84 32.41 1rrl n VAL 623 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1rrl s ILE 624 N -3.23 3.03 0.09 1.34 1.01 -1.26 -5.03 121.20 117.15 1rrl s ILE 624 Ca -0.05 -0.99 -0.21 0.00 0.00 0.00 0.00 60.65 59.39 1rrl s ILE 624 Cb 0.11 -2.55 -0.11 0.00 0.01 0.00 0.00 42.46 39.92 1rrl s ILE 624 CO 0.85 0.17 1.64 -0.08 0.00 0.00 0.00 174.94 177.52 1rrl h GLU 625 N 8.04 0.22 -3.48 2.79 4.22 -1.93 -3.28 114.58 121.16 1rrl h GLU 625 Ca -0.32 -0.04 -0.71 0.00 0.08 0.00 0.00 59.36 58.37 1rrl h GLU 625 Cb 1.11 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.27 1rrl h GLU 625 CO 0.58 0.29 3.01 -3.47 -2.18 0.00 0.00 179.01 177.24 1rrl n ASP 626 N -4.89 5.87 -3.96 1.04 2.03 -1.26 -4.71 116.55 110.67 1rrl n ASP 626 Ca -0.05 -2.86 -0.30 0.00 0.52 0.00 0.00 54.79 52.10 1rrl n ASP 626 Cb 0.11 -1.56 -0.12 0.00 -0.72 0.00 0.00 41.12 38.82 1rrl n ASP 626 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1rrl s TYR 627 N 1.84 3.38 0.58 -0.67 6.14 -1.24 -4.71 117.35 122.67 1rrl s TYR 627 Ca 0.52 -3.18 0.27 0.00 0.64 0.00 0.00 57.07 55.33 1rrl s TYR 627 Cb 0.15 -2.85 1.60 0.00 0.42 0.00 0.00 41.96 41.27 1rrl s TYR 627 CO -0.06 -0.68 2.09 -1.35 0.64 0.00 0.00 175.55 176.18 1rrl h PRO 628 N 6.15 0.00 -0.13 4.97 0.11 -1.85 0.35 132.00 141.60 1rrl h PRO 628 Ca 0.02 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.91 1rrl h PRO 628 Cb 0.85 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.96 1rrl h PRO 628 CO 0.71 0.00 -0.79 -0.92 -0.21 0.00 0.00 178.00 176.80 1rrl h TYR 629 N 0.00 0.97 0.16 0.65 3.20 -1.88 -2.87 116.97 117.20 1rrl h TYR 629 Ca 0.10 -0.44 -0.31 0.00 3.14 0.00 0.00 58.73 61.22 1rrl h TYR 629 Cb 0.51 -0.15 0.03 0.00 1.54 0.00 0.00 36.73 38.67 1rrl h TYR 629 CO 0.00 1.26 -1.31 0.00 -1.64 0.00 0.00 178.16 176.47 1rrl h THR 630 N 0.48 1.28 0.06 1.81 1.03 -1.24 0.50 112.91 116.83 1rrl h THR 630 Ca -0.05 -2.52 -0.24 0.00 -0.01 0.00 0.00 66.41 63.59 1rrl h THR 630 Cb 1.41 2.80 -0.01 0.00 -1.07 0.00 0.00 68.15 71.28 1rrl h THR 630 CO 0.16 0.76 -1.07 -0.37 -0.01 0.00 0.00 175.52 174.99 1rrl h VAL 631 N 0.23 1.53 0.00 0.00 -1.51 -1.29 -1.60 116.25 113.63 1rrl h VAL 631 Ca -0.21 -2.96 -0.24 0.00 -1.23 0.00 0.00 66.70 62.06 1rrl h VAL 631 Cb 1.99 2.75 0.01 0.00 -2.13 0.00 0.00 31.29 33.91 1rrl h VAL 631 CO 0.25 0.86 -0.98 0.44 -1.23 0.00 0.00 177.57 176.91 1rrl h ASP 632 N 0.08 0.66 -0.92 4.19 5.19 -1.63 -3.23 116.42 120.77 1rrl h ASP 632 Ca -0.08 -0.53 0.05 0.00 -0.62 0.00 0.00 57.03 55.85 1rrl h ASP 632 Cb 1.77 -0.20 -0.06 0.00 0.18 0.00 0.00 39.33 41.02 1rrl h ASP 632 CO 0.17 1.33 0.60 1.23 -3.12 0.00 0.00 179.24 179.45 1rrl h GLY 633 N 0.96 1.33 2.00 2.75 0.00 -0.53 -2.37 103.07 107.22 1rrl h GLY 633 Ca -0.10 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 46.73 1rrl h GLY 633 CO 0.18 0.34 -0.33 1.41 0.00 0.00 0.00 176.54 178.14 1rrl h LEU 634 N 1.09 0.00 0.13 3.11 3.38 -1.32 0.17 115.31 121.87 1rrl h LEU 634 Ca 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.35 1rrl h LEU 634 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1rrl h LEU 634 CO -0.13 0.33 -0.06 -0.33 0.09 0.00 0.00 178.44 178.33 1rrl h GLU 635 N 0.00 -0.17 -0.58 1.13 4.39 -1.47 -2.25 114.58 115.63 1rrl h GLU 635 Ca -0.00 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1rrl h GLU 635 Cb 0.94 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.60 1rrl h GLU 635 CO 0.04 0.19 0.27 0.82 -1.16 0.00 0.00 179.01 179.17 1rrl h ILE 636 N -0.56 1.21 -0.12 3.13 5.03 -1.23 -1.37 117.51 123.60 1rrl h ILE 636 Ca -0.02 -0.62 0.04 0.00 -0.12 0.00 0.00 64.86 64.14 1rrl h ILE 636 Cb 0.44 0.55 -0.05 0.00 -3.03 0.00 0.00 36.82 34.73 1rrl h ILE 636 CO 0.03 0.25 -0.18 -0.25 -0.68 0.00 0.00 178.15 177.32 1rrl h TRP 637 N 0.79 -0.47 -0.65 1.37 2.91 -0.73 -1.55 115.95 117.63 1rrl h TRP 637 Ca 0.20 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.24 1rrl h TRP 637 Cb 0.14 0.23 -0.03 0.00 -0.51 0.00 0.00 29.16 28.99 1rrl h TRP 637 CO 0.00 -0.26 0.39 -0.44 -1.03 0.00 0.00 178.44 177.11 1rrl h ASP 638 N -0.23 0.78 -0.96 2.65 3.32 -1.31 -0.69 116.42 119.98 1rrl h ASP 638 Ca 0.10 -0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.14 1rrl h ASP 638 Cb 0.37 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.66 1rrl h ASP 638 CO -0.26 0.61 0.61 0.00 -1.72 0.00 0.00 179.24 178.48 1rrl h ALA 639 N 1.20 1.30 -0.31 3.45 0.00 -0.70 0.16 119.26 124.36 1rrl h ALA 639 Ca 0.23 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1rrl h ALA 639 Cb -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1rrl h ALA 639 CO -0.04 0.43 -0.26 0.82 0.00 0.00 0.00 179.25 180.19 1rrl h ILE 640 N 1.14 1.30 -0.24 0.00 2.04 -1.02 -1.99 117.51 118.73 1rrl h ILE 640 Ca 0.40 -1.42 -0.16 0.00 1.00 0.00 0.00 64.86 64.69 1rrl h ILE 640 Cb 0.11 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1rrl h ILE 640 CO -0.16 0.46 -0.50 0.50 0.00 0.00 0.00 178.15 178.45 1rrl h LYS 641 N 0.49 0.65 -0.52 2.37 3.64 -0.51 0.15 116.57 122.84 1rrl h LYS 641 Ca 0.06 -0.38 -0.12 0.00 -1.27 0.00 0.00 60.65 58.93 1rrl h LYS 641 Cb 0.82 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 1rrl h LYS 641 CO 0.07 1.00 -0.15 1.15 -2.27 0.00 0.00 179.45 179.24 1rrl h THR 642 N 0.51 1.27 -0.05 1.00 2.02 -0.70 0.80 112.91 117.76 1rrl h THR 642 Ca 0.02 -1.32 -0.02 0.00 0.77 0.00 0.00 66.41 65.87 1rrl h THR 642 Cb 1.05 1.03 -0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1rrl h THR 642 CO 0.10 0.46 -0.03 -0.25 0.37 0.00 0.00 175.52 176.17 1rrl h TRP 643 N 0.89 0.12 -0.36 3.16 -0.00 -1.16 -1.48 115.95 117.13 1rrl h TRP 643 Ca 0.13 -0.03 0.01 0.00 -0.00 0.00 0.00 58.89 59.00 1rrl h TRP 643 Cb 0.73 -0.03 -0.02 0.00 -0.00 0.00 0.00 29.16 29.84 1rrl h TRP 643 CO 0.05 0.50 0.21 0.28 -0.00 0.00 0.00 178.44 179.48 1rrl h VAL 644 N -0.29 1.04 -0.67 2.65 2.07 -0.70 -0.59 116.25 119.77 1rrl h VAL 644 Ca 0.01 -0.15 0.08 0.00 0.82 0.00 0.00 66.70 67.46 1rrl h VAL 644 Cb 0.47 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 1rrl h VAL 644 CO 0.01 0.08 0.34 -0.74 0.02 0.00 0.00 177.57 177.27 1rrl h HIS 645 N 0.43 0.61 -0.13 1.57 -0.00 -0.83 0.18 115.15 116.98 1rrl h HIS 645 Ca 0.14 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.41 1rrl h HIS 645 Cb 0.00 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.23 1rrl h HIS 645 CO -0.07 0.25 -0.49 0.93 -0.00 0.00 0.00 177.93 178.54 1rrl h GLU 646 N 0.60 0.34 0.12 5.26 5.08 -1.02 -1.36 114.58 123.61 1rrl h GLU 646 Ca 0.32 -0.19 -0.27 0.00 -1.00 0.00 0.00 59.36 58.21 1rrl h GLU 646 Cb 0.29 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1rrl h GLU 646 CO -0.23 0.76 -1.22 -0.92 -1.00 0.00 0.00 179.01 176.39 1rrl h TYR 647 N 0.27 0.47 -0.36 4.33 5.03 -0.60 -2.41 116.97 123.71 1rrl h TYR 647 Ca 0.01 -0.34 -0.16 0.00 2.58 0.00 0.00 58.73 60.82 1rrl h TYR 647 Cb 0.96 -0.02 -0.00 0.00 1.55 0.00 0.00 36.73 39.22 1rrl h TYR 647 CO 0.02 1.26 -0.39 0.28 -1.32 0.00 0.00 178.16 178.02 1rrl h VAL 648 N 0.07 1.28 0.00 1.81 2.07 -0.63 -2.91 116.25 117.94 1rrl h VAL 648 Ca -0.13 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 65.83 1rrl h VAL 648 Cb 1.96 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 33.16 1rrl h VAL 648 CO 0.20 0.52 0.00 0.49 0.02 0.00 0.00 177.57 178.80 1rrl n PHE 649 N -4.08 0.00 0.15 1.57 3.01 -0.52 -0.70 117.46 116.89 1rrl n PHE 649 Ca -0.03 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.18 1rrl n PHE 649 Cb 0.55 -0.07 -0.16 0.00 -0.01 0.00 0.00 39.48 39.79 1rrl n PHE 649 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1rrl h LEU 650 N 0.00 0.85 0.13 4.37 3.38 -1.21 -3.40 115.31 119.42 1rrl h LEU 650 Ca 0.00 -0.92 -0.33 0.00 0.09 0.00 0.00 57.88 56.72 1rrl h LEU 650 Cb 0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1rrl h LEU 650 CO 0.00 1.71 -1.71 1.88 0.09 0.00 0.00 178.44 180.41 1rrl h TYR 651 N 0.13 0.48 -3.43 1.13 0.05 -1.48 -3.45 116.97 110.41 1rrl h TYR 651 Ca -0.26 -0.35 -0.73 0.00 0.05 0.00 0.00 58.73 57.45 1rrl h TYR 651 Cb 2.16 -0.02 -0.23 0.00 1.01 0.00 0.00 36.73 39.66 1rrl h TYR 651 CO 0.13 1.51 -0.41 0.71 -1.05 0.00 0.00 178.16 179.05 1rrl s TYR 652 N -2.59 3.25 -0.49 4.88 2.02 0.12 -4.91 117.35 119.64 1rrl s TYR 652 Ca -0.13 -0.88 0.25 0.00 -0.37 0.00 0.00 57.07 55.93 1rrl s TYR 652 Cb 0.06 -2.83 0.59 0.00 -0.40 0.00 0.00 41.96 39.38 1rrl s TYR 652 CO 0.83 -0.71 1.69 0.87 -1.57 0.00 0.00 175.55 176.67 1rrl h LYS 653 N 8.62 0.00 -3.59 -0.62 1.57 -1.88 -3.43 116.57 117.24 1rrl h LYS 653 Ca -0.27 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.46 1rrl h LYS 653 Cb 1.11 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.33 1rrl h LYS 653 CO 0.78 0.00 -0.10 -1.54 -0.57 0.00 0.00 179.45 178.02 1rrl s SER 654 N -5.58 -0.11 0.28 0.86 1.04 -1.26 -5.00 113.70 103.92 1rrl s SER 654 Ca 0.08 -0.86 0.01 0.00 0.48 0.00 0.00 55.95 55.66 1rrl s SER 654 Cb 0.08 0.58 0.42 0.00 0.10 0.00 0.00 66.02 67.20 1rrl s SER 654 CO 0.63 -1.13 1.75 0.44 0.98 0.00 0.00 173.24 175.91 1rrl h ASP 655 N 2.25 0.57 0.07 7.02 3.32 -1.90 -3.16 116.42 124.59 1rrl h ASP 655 Ca -0.26 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1rrl h ASP 655 Cb 1.25 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1rrl h ASP 655 CO 0.36 0.74 -0.08 0.44 -1.72 0.00 0.00 179.24 178.98 1rrl h ASP 656 N 0.53 -0.21 -0.96 6.45 3.45 -1.95 -2.49 116.42 121.24 1rrl h ASP 656 Ca 0.09 0.02 0.22 0.00 0.43 0.00 0.00 57.03 57.79 1rrl h ASP 656 Cb 0.56 0.08 -0.08 0.00 -0.56 0.00 0.00 39.33 39.33 1rrl h ASP 656 CO 0.04 -0.12 0.62 0.71 -1.57 0.00 0.00 179.24 178.92 1rrl h THR 657 N -0.17 0.64 -0.36 0.35 1.35 -1.94 -1.40 112.91 111.38 1rrl h THR 657 Ca 0.01 -0.16 -0.05 0.00 -0.55 0.00 0.00 66.41 65.66 1rrl h THR 657 Cb 0.17 0.13 -0.01 0.00 -1.73 0.00 0.00 68.15 66.71 1rrl h THR 657 CO -0.03 0.09 0.05 0.25 -0.25 0.00 0.00 175.52 175.62 1rrl h LEU 658 N 0.47 0.59 -1.06 3.87 5.85 -1.48 -2.57 115.31 120.98 1rrl h LEU 658 Ca 0.52 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.87 1rrl h LEU 658 Cb 1.22 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1rrl h LEU 658 CO -0.24 0.71 -0.43 0.03 -0.34 0.00 0.00 178.44 178.17 1rrl h ARG 659 N 0.44 0.09 -0.00 1.25 3.08 -0.88 -1.69 114.38 116.66 1rrl h ARG 659 Ca 0.11 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1rrl h ARG 659 Cb 0.38 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1rrl h ARG 659 CO 0.01 0.50 0.00 0.39 -1.07 0.00 0.00 179.97 179.80 1rrl n GLU 660 N -4.02 1.01 -2.90 0.04 1.02 -0.62 -4.72 120.64 110.44 1rrl n GLU 660 Ca -0.02 -0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.68 1rrl n GLU 660 Cb 0.47 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.36 1rrl n GLU 660 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1rrl s ASP 661 N -1.98 6.20 0.40 1.62 -1.08 -0.64 -4.93 116.67 116.27 1rrl s ASP 661 Ca 0.47 -1.13 0.13 0.00 -0.52 0.00 0.00 52.55 51.50 1rrl s ASP 661 Cb 0.22 -2.40 0.83 0.00 -1.46 0.00 0.00 42.92 40.11 1rrl s ASP 661 CO 0.36 -1.37 1.89 1.55 0.52 0.00 0.00 175.17 178.13 1rrl h PRO 662 N 9.46 0.01 -0.02 4.34 0.13 -1.87 -1.82 132.00 142.24 1rrl h PRO 662 Ca -0.26 -0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.69 1rrl h PRO 662 Cb 1.07 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.21 1rrl h PRO 662 CO 1.17 0.30 -0.67 0.93 -0.23 0.00 0.00 178.00 179.49 1rrl h GLU 663 N 0.01 0.49 -0.13 0.86 5.08 -1.92 -0.80 114.58 118.18 1rrl h GLU 663 Ca -0.00 -0.50 -0.05 0.00 -1.00 0.00 0.00 59.36 57.81 1rrl h GLU 663 Cb 0.51 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1rrl h GLU 663 CO 0.04 1.14 -0.11 1.25 -1.00 0.00 0.00 179.01 180.33 1rrl h LEU 664 N 0.03 0.32 -0.84 1.33 5.85 -1.77 0.49 115.31 120.72 1rrl h LEU 664 Ca -0.08 -0.47 0.16 0.00 0.84 0.00 0.00 57.88 58.33 1rrl h LEU 664 Cb 1.36 -0.09 -0.10 0.00 0.37 0.00 0.00 40.66 42.20 1rrl h LEU 664 CO 0.13 0.72 0.41 1.56 -0.34 0.00 0.00 178.44 180.92 1rrl h GLN 665 N -0.07 0.54 0.01 1.25 1.08 -1.39 -0.57 115.11 115.96 1rrl h GLN 665 Ca 0.02 -0.03 -0.19 0.00 -1.45 0.00 0.00 58.65 57.00 1rrl h GLN 665 Cb 0.63 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.92 1rrl h GLN 665 CO 0.03 0.36 -0.87 0.00 -0.95 0.00 0.00 178.83 177.40 1rrl h ALA 666 N 1.58 0.55 0.20 3.87 0.00 -0.87 -1.76 119.26 122.82 1rrl h ALA 666 Ca 0.47 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1rrl h ALA 666 Cb 0.71 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1rrl h ALA 666 CO -0.39 0.96 -0.15 0.00 0.00 0.00 0.00 179.25 179.67 1rrl h TRP 668 N -0.33 0.78 -0.61 0.00 2.91 -1.17 -0.25 115.95 117.29 1rrl h TRP 668 Ca -0.03 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 59.99 1rrl h TRP 668 Cb 0.27 -0.24 -0.03 0.00 -0.51 0.00 0.00 29.16 28.65 1rrl h TRP 668 CO -0.02 0.22 0.25 -0.22 -1.03 0.00 0.00 178.44 177.64 1rrl h LYS 669 N 0.60 0.88 0.00 2.65 3.64 -1.27 -2.16 116.57 120.92 1rrl h LYS 669 Ca 0.50 -0.13 -0.14 0.00 -1.27 0.00 0.00 60.65 59.61 1rrl h LYS 669 Cb 0.96 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 1rrl h LYS 669 CO -0.24 0.72 -0.83 1.49 -2.27 0.00 0.00 179.45 178.31 1rrl h GLU 670 N 0.87 0.00 -0.33 1.90 4.81 -0.86 -1.28 114.58 119.68 1rrl h GLU 670 Ca 0.21 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1rrl h GLU 670 Cb 0.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1rrl h GLU 670 CO -0.02 0.49 0.11 1.25 -0.73 0.00 0.00 179.01 180.11 1rrl h LEU 671 N 0.00 0.48 0.12 1.64 7.12 -0.79 -0.32 115.31 123.56 1rrl h LEU 671 Ca -0.05 -0.19 -0.33 0.00 0.13 0.00 0.00 57.88 57.43 1rrl h LEU 671 Cb 1.49 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 41.48 1rrl h LEU 671 CO 0.07 0.54 -1.74 0.58 -0.13 0.00 0.00 178.44 177.76 1rrl h VAL 672 N 0.39 0.90 -0.00 1.05 2.07 -1.21 0.10 116.25 119.55 1rrl h VAL 672 Ca 0.11 -2.59 0.00 0.00 0.82 0.00 0.00 66.70 65.04 1rrl h VAL 672 Cb 0.23 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1rrl h VAL 672 CO -0.01 0.80 -0.66 -0.62 0.02 0.00 0.00 177.57 177.11 1rrl n GLU 673 N -3.43 0.15 0.07 1.57 1.02 -0.50 -3.30 120.64 116.22 1rrl n GLU 673 Ca -0.23 -0.11 0.00 0.00 -0.02 0.00 0.00 57.16 56.80 1rrl n GLU 673 Cb 1.05 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.97 1rrl n GLU 673 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1rrl n VAL 674 N -1.33 0.57 -0.24 2.62 0.31 -0.73 -4.38 118.33 115.16 1rrl n VAL 674 Ca 0.06 0.19 -0.02 0.00 -0.01 0.00 0.00 64.34 64.56 1rrl n VAL 674 Cb 0.34 -1.02 0.10 0.00 -0.91 0.00 0.00 33.84 32.35 1rrl n VAL 674 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1rrl h GLY 675 N 0.00 1.01 -3.60 2.92 0.00 -0.87 0.89 103.07 103.42 1rrl h GLY 675 Ca 0.00 -0.28 -0.52 0.00 0.00 0.00 0.00 47.33 46.53 1rrl h GLY 675 CO 0.00 0.19 -0.72 1.42 0.00 0.00 0.00 176.54 177.43 1rrl n HIS 676 N -4.75 2.61 0.21 5.60 8.25 0.34 -1.86 115.22 125.62 1rrl n HIS 676 Ca 0.09 -2.21 0.08 0.00 -0.26 0.00 0.00 57.72 55.41 1rrl n HIS 676 Cb 0.16 -0.39 0.44 0.00 1.12 0.00 0.00 29.99 31.32 1rrl n HIS 676 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1rrl h GLY 677 N 2.10 0.00 2.00 -1.41 0.00 -0.80 -0.35 103.07 104.61 1rrl h GLY 677 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1rrl h GLY 677 CO 0.75 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.51 1rrl n ASP 678 N -2.25 0.04 -0.75 0.19 8.00 -1.26 -2.78 116.55 117.74 1rrl n ASP 678 Ca -0.01 0.50 0.03 0.00 0.71 0.00 0.00 54.79 56.02 1rrl n ASP 678 Cb 0.37 -0.52 0.20 0.00 -0.02 0.00 0.00 41.12 41.16 1rrl n ASP 678 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1rrl n LYS 679 N -1.54 1.71 0.19 -1.24 4.01 -0.14 -4.80 118.16 116.35 1rrl n LYS 679 Ca 0.07 -3.16 0.05 0.00 -0.51 0.00 0.00 58.31 54.76 1rrl n LYS 679 Cb 0.33 -1.69 0.35 0.00 -0.51 0.00 0.00 35.03 33.51 1rrl n LYS 679 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 1rrl h LYS 680 N 0.93 0.00 -0.32 1.97 2.10 -1.57 -3.12 116.57 116.56 1rrl h LYS 680 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 1rrl h LYS 680 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1rrl h LYS 680 CO 0.15 0.38 0.00 0.09 -2.00 0.00 0.00 179.45 178.07 1rrl n ASN 681 N -3.61 3.31 -4.77 7.07 3.02 -1.26 -4.87 115.26 114.14 1rrl n ASN 681 Ca -0.01 -1.96 -0.38 0.00 -0.03 0.00 0.00 54.58 52.20 1rrl n ASN 681 Cb 0.49 -0.20 -0.00 0.00 -0.61 0.00 0.00 39.78 39.45 1rrl n ASN 681 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1rrl s GLU 682 N -1.49 3.73 0.00 3.52 0.41 -1.18 -4.96 118.70 118.73 1rrl s GLU 682 Ca 0.35 1.90 0.29 0.00 -0.41 0.00 0.00 54.97 57.11 1rrl s GLU 682 Cb 0.21 -2.46 1.35 0.00 -1.78 0.00 0.00 34.13 31.45 1rrl s GLU 682 CO 0.30 -0.61 1.92 -0.35 -0.49 0.00 0.00 175.26 176.02 1rrl n PRO 683 N -0.42 1.23 0.00 0.39 -0.04 -1.26 -4.21 135.00 130.69 1rrl n PRO 683 Ca 0.07 -0.49 0.11 0.00 -0.04 0.00 0.00 63.50 63.15 1rrl n PRO 683 Cb 0.47 -1.49 0.02 0.00 -0.04 0.00 0.00 33.50 32.45 1rrl n PRO 683 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1rrl n TRP 684 N -0.46 0.00 -1.78 0.54 4.27 -1.26 -4.94 117.44 113.81 1rrl n TRP 684 Ca 0.20 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.40 1rrl n TRP 684 Cb 0.26 -0.01 0.01 0.00 -1.36 0.00 0.00 31.31 30.20 1rrl n TRP 684 CO 0.00 0.00 0.00 0.91 -2.29 0.00 0.00 177.69 176.31 1rrl n TRP 685 N -0.19 2.95 -2.02 -2.67 7.02 -1.26 -4.77 117.44 116.49 1rrl n TRP 685 Ca 0.09 0.44 -0.43 0.00 -1.02 0.00 0.00 57.50 56.58 1rrl n TRP 685 Cb 0.45 -2.52 -0.03 0.00 -2.42 0.00 0.00 31.31 26.80 1rrl n TRP 685 CO 0.00 0.00 0.00 -2.14 -2.02 0.00 0.00 177.69 173.53 1rrl s PRO 686 N -2.22 3.96 0.22 -0.99 0.02 -1.26 -4.98 135.00 129.75 1rrl s PRO 686 Ca 0.55 1.97 -0.30 0.00 0.02 0.00 0.00 61.00 63.25 1rrl s PRO 686 Cb -0.46 -4.03 -0.09 0.00 0.02 0.00 0.00 34.50 29.93 1rrl s PRO 686 CO 0.62 -1.11 1.31 0.15 -0.33 0.00 0.00 177.00 177.64 1rrl s LYS 687 N 4.44 4.39 -0.26 5.54 -0.14 -1.26 -4.89 119.74 127.56 1rrl s LYS 687 Ca 0.74 2.07 -0.06 0.00 -1.36 0.00 0.00 55.97 57.36 1rrl s LYS 687 Cb -0.30 -3.18 -0.23 0.00 -1.68 0.00 0.00 37.83 32.45 1rrl s LYS 687 CO 0.30 -0.24 3.49 -1.33 -0.76 0.00 0.00 175.35 176.81 1rrl n MET 688 N 2.38 2.28 0.05 1.68 2.81 -1.26 -4.13 117.12 120.92 1rrl n MET 688 Ca 0.05 -1.25 0.01 0.00 -1.81 0.00 0.00 57.70 54.70 1rrl n MET 688 Cb 0.43 -2.12 -0.07 0.00 -0.71 0.00 0.00 33.22 30.74 1rrl n MET 688 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1rrl h GLN 689 N 3.29 0.00 -5.17 0.03 1.08 -1.94 -3.41 115.11 108.99 1rrl h GLN 689 Ca 0.30 0.00 -0.36 0.00 -1.45 0.00 0.00 58.65 57.14 1rrl h GLN 689 Cb 1.30 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 28.55 1rrl h GLN 689 CO 0.49 0.27 -0.74 -0.08 -0.95 0.00 0.00 178.83 177.82 1rrl s THR 690 N -2.97 1.13 0.33 -0.54 -1.32 -1.26 -4.81 115.64 106.21 1rrl s THR 690 Ca -0.02 -1.71 0.04 0.00 -1.21 0.00 0.00 61.69 58.79 1rrl s THR 690 Cb 0.09 -1.48 0.13 0.00 -1.51 0.00 0.00 72.50 69.73 1rrl s THR 690 CO 0.80 -0.51 1.83 0.03 -2.21 0.00 0.00 174.62 174.56 1rrl h ARG 691 N 3.47 0.48 -0.59 7.08 3.08 -1.88 -3.00 114.38 123.02 1rrl h ARG 691 Ca -0.38 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.52 1rrl h ARG 691 Cb 1.19 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.16 1rrl h ARG 691 CO 0.53 0.57 0.28 0.93 -1.07 0.00 0.00 179.97 181.21 1rrl h GLU 692 N 0.45 0.83 0.00 0.04 3.07 -1.98 -1.58 114.58 115.41 1rrl h GLU 692 Ca 0.09 -0.11 -0.07 0.00 -0.50 0.00 0.00 59.36 58.77 1rrl h GLU 692 Cb 0.43 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1rrl h GLU 692 CO 0.02 0.65 -0.35 0.93 -1.40 0.00 0.00 179.01 178.87 1rrl h GLU 693 N 0.83 0.00 -0.15 2.33 5.08 -1.84 -0.36 114.58 120.47 1rrl h GLU 693 Ca 0.21 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.45 1rrl h GLU 693 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1rrl h GLU 693 CO -0.03 0.35 -0.35 1.25 -1.00 0.00 0.00 179.01 179.23 1rrl h LEU 694 N 0.00 0.58 -0.08 1.33 5.85 -1.35 -2.51 115.31 119.13 1rrl h LEU 694 Ca -0.00 -0.57 -0.00 0.00 0.84 0.00 0.00 57.88 58.15 1rrl h LEU 694 Cb 0.64 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 1rrl h LEU 694 CO 0.05 1.04 0.04 0.58 -0.34 0.00 0.00 178.44 179.80 1rrl h VAL 695 N 0.14 1.11 -0.09 1.05 2.07 -1.10 0.79 116.25 120.23 1rrl h VAL 695 Ca -0.00 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.24 1rrl h VAL 695 Cb 0.96 1.19 -0.06 0.00 -1.52 0.00 0.00 31.29 31.86 1rrl h VAL 695 CO 0.08 0.10 -0.36 -0.08 0.02 0.00 0.00 177.57 177.32 1rrl h GLU 696 N -0.00 -0.45 -0.39 1.57 4.57 -1.09 0.36 114.58 119.16 1rrl h GLU 696 Ca 0.03 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1rrl h GLU 696 Cb 0.12 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1rrl h GLU 696 CO -0.00 -0.30 0.15 0.00 -1.18 0.00 0.00 179.01 177.68 1rrl h ALA 697 N 0.24 0.51 -0.88 2.92 0.00 -1.07 -2.16 119.26 118.81 1rrl h ALA 697 Ca 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1rrl h ALA 697 Cb 0.59 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1rrl h ALA 697 CO -0.35 0.11 0.53 0.00 0.00 0.00 0.00 179.25 179.54 1rrl h ALA 699 N 1.29 1.00 0.02 0.00 0.00 -0.32 -1.67 119.26 119.58 1rrl h ALA 699 Ca 0.32 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.01 1rrl h ALA 699 Cb -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1rrl h ALA 699 CO -0.06 0.00 -1.15 0.82 0.00 0.00 0.00 179.25 178.86 1rrl h ILE 700 N 0.00 1.04 -0.76 0.00 2.04 -0.60 -0.65 117.51 118.57 1rrl h ILE 700 Ca 0.00 -2.24 0.16 0.00 1.00 0.00 0.00 64.86 63.77 1rrl h ILE 700 Cb 0.34 2.48 -0.10 0.00 -0.74 0.00 0.00 36.82 38.80 1rrl h ILE 700 CO 0.00 0.45 0.27 0.40 0.00 0.00 0.00 178.15 179.27 1rrl h ILE 701 N -0.83 0.59 0.18 -0.67 2.04 -0.84 -1.51 117.51 116.47 1rrl h ILE 701 Ca -0.30 -0.13 -0.30 0.00 1.00 0.00 0.00 64.86 65.13 1rrl h ILE 701 Cb 1.38 0.18 0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1rrl h ILE 701 CO -0.12 0.07 -1.33 0.40 0.00 0.00 0.00 178.15 177.17 1rrl h ILE 702 N 0.38 1.40 -0.67 -0.67 2.04 -1.34 -1.75 117.51 116.90 1rrl h ILE 702 Ca 0.43 -2.87 0.06 0.00 1.00 0.00 0.00 64.86 63.48 1rrl h ILE 702 Cb 0.70 2.96 -0.06 0.00 -0.74 0.00 0.00 36.82 39.68 1rrl h ILE 702 CO -0.45 0.85 0.37 -0.25 0.00 0.00 0.00 178.15 178.67 1rrl h TRP 703 N 0.12 0.68 -0.19 1.37 2.91 -0.92 -0.23 115.95 119.69 1rrl h TRP 703 Ca -0.19 0.02 -0.11 0.00 1.13 0.00 0.00 58.89 59.75 1rrl h TRP 703 Cb 2.04 -0.21 -0.00 0.00 -0.51 0.00 0.00 29.16 30.48 1rrl h TRP 703 CO 0.09 0.32 -0.30 1.15 -1.03 0.00 0.00 178.44 178.67 1rrl h THR 704 N 0.68 1.34 -0.05 2.65 2.02 -1.22 0.19 112.91 118.51 1rrl h THR 704 Ca 0.30 -1.52 -0.13 0.00 0.77 0.00 0.00 66.41 65.83 1rrl h THR 704 Cb 0.19 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 1rrl h THR 704 CO -0.19 0.46 -0.56 0.00 0.37 0.00 0.00 175.52 175.61 1rrl h ALA 705 N 0.60 0.96 -3.00 6.16 0.00 -1.18 -2.88 119.26 119.92 1rrl h ALA 705 Ca 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1rrl h ALA 705 Cb 0.88 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1rrl h ALA 705 CO 0.07 0.70 0.00 -1.13 0.00 0.00 0.00 179.25 178.89 1rrl n SER 706 N -3.89 0.00 -0.09 0.00 3.41 -0.11 -2.59 113.62 110.35 1rrl n SER 706 Ca -0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.46 1rrl n SER 706 Cb 0.58 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.49 1rrl n SER 706 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rrl h ALA 707 N -1.68 0.41 0.02 7.33 0.00 -1.33 -1.21 119.26 122.80 1rrl h ALA 707 Ca 0.00 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.53 1rrl h ALA 707 Cb 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1rrl h ALA 707 CO 0.00 0.44 -0.30 1.25 0.00 0.00 0.00 179.25 180.64 1rrl h LEU 708 N 0.43 -0.88 -0.98 0.00 5.85 -1.22 -0.62 115.31 117.89 1rrl h LEU 708 Ca 0.04 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1rrl h LEU 708 Cb 0.88 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 1rrl h LEU 708 CO 0.07 -0.37 0.34 -0.74 -0.34 0.00 0.00 178.44 177.41 1rrl h HIS 709 N -0.46 1.08 -0.05 1.25 2.76 -1.49 -1.90 115.15 116.34 1rrl h HIS 709 Ca 0.06 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1rrl h HIS 709 Cb 0.53 -0.33 -0.00 0.00 1.55 0.00 0.00 27.41 29.16 1rrl h HIS 709 CO -0.31 0.79 0.01 0.00 -1.30 0.00 0.00 177.93 177.12 1rrl h ALA 710 N 1.31 0.06 0.00 5.26 0.00 -1.06 0.20 119.26 125.03 1rrl h ALA 710 Ca 0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1rrl h ALA 710 Cb 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1rrl h ALA 710 CO -0.03 -0.30 -0.09 0.00 0.00 0.00 0.00 179.25 178.83 1rrl h ALA 711 N 0.76 1.07 0.00 0.00 0.00 -1.09 -1.77 119.26 118.24 1rrl h ALA 711 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1rrl h ALA 711 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1rrl h ALA 711 CO 0.00 0.11 -0.77 1.55 0.00 0.00 0.00 179.25 180.14 1rrl n VAL 712 N -3.29 0.18 0.00 0.00 3.14 -0.72 -4.62 118.33 113.01 1rrl n VAL 712 Ca -0.00 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 1rrl n VAL 712 Cb 0.30 0.14 0.00 0.00 -1.06 0.00 0.00 33.84 33.22 1rrl n VAL 712 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1rrl n ASN 713 N -1.88 4.51 0.00 6.55 5.15 0.65 -4.65 115.26 125.60 1rrl n ASN 713 Ca 0.03 0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.14 1rrl n ASN 713 Cb 0.41 0.35 0.69 0.00 -0.53 0.00 0.00 39.78 40.70 1rrl n ASN 713 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1rrl n PHE 714 N -2.07 0.00 1.11 1.20 3.72 -0.73 -1.92 117.46 118.77 1rrl n PHE 714 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 1rrl n PHE 714 Cb 0.48 -0.18 0.18 0.00 -0.94 0.00 0.00 39.48 39.02 1rrl n PHE 714 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rrl n GLY 715 N 0.77 0.67 0.42 1.37 0.00 -1.26 -4.63 105.19 102.53 1rrl n GLY 715 Ca 0.15 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 1rrl n GLY 715 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1rrl h GLN 716 N 3.94 -0.28 0.05 1.61 4.20 -1.66 0.58 115.11 123.55 1rrl h GLN 716 Ca 0.00 0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 1rrl h GLN 716 Cb 0.86 0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.72 1rrl h GLN 716 CO 0.00 -0.19 -0.43 -0.92 -0.67 0.00 0.00 178.83 176.63 1rrl h TYR 717 N -0.29 0.33 -0.34 2.96 3.20 -1.83 0.34 116.97 121.34 1rrl h TYR 717 Ca 0.13 -0.22 0.10 0.00 3.14 0.00 0.00 58.73 61.88 1rrl h TYR 717 Cb 0.57 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 1rrl h TYR 717 CO -0.73 1.11 0.28 -1.35 -1.64 0.00 0.00 178.16 175.83 1rrl h PRO 718 N -0.54 0.00 0.00 1.82 0.11 -1.76 1.92 132.00 133.54 1rrl h PRO 718 Ca -0.07 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.72 1rrl h PRO 718 Cb 1.27 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.33 1rrl h PRO 718 CO 0.08 0.00 -1.78 0.66 -0.21 0.00 0.00 178.00 176.75 1rrl n TYR 719 N -4.16 0.62 0.53 0.65 4.01 0.17 -1.45 117.16 117.54 1rrl n TYR 719 Ca 0.05 0.26 0.11 0.00 -0.16 0.00 0.00 57.90 58.17 1rrl n TYR 719 Cb 0.45 -1.06 0.25 0.00 -0.31 0.00 0.00 39.34 38.67 1rrl n TYR 719 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rrl n GLY 720 N 1.38 1.39 0.27 2.72 0.00 0.12 -3.90 105.19 107.17 1rrl n GLY 720 Ca -0.41 -0.66 0.18 0.00 0.00 0.00 0.00 46.02 45.12 1rrl n GLY 720 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rrl h GLY 721 N 4.67 0.00 -7.57 -0.02 0.00 0.30 -3.32 103.07 97.12 1rrl h GLY 721 Ca 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.63 1rrl h GLY 721 CO 0.00 0.00 -0.52 -2.27 0.00 0.00 0.00 176.54 173.75 1rrl s LEU 722 N -5.83 4.60 0.41 3.11 0.20 -1.25 -4.87 118.68 115.05 1rrl s LEU 722 Ca -0.01 -0.92 0.29 0.00 0.69 0.00 0.00 54.13 54.18 1rrl s LEU 722 Cb 0.10 -2.01 1.13 0.00 -0.43 0.00 0.00 46.19 44.98 1rrl s LEU 722 CO 0.45 -0.35 1.84 -0.29 -0.29 0.00 0.00 176.35 177.71 1rrl h ILE 723 N 5.85 0.00 -0.20 6.68 6.09 -1.84 -0.17 117.51 133.91 1rrl h ILE 723 Ca -0.27 -0.41 -0.13 0.00 -1.37 0.00 0.00 64.86 62.68 1rrl h ILE 723 Cb 1.11 1.30 -0.01 0.00 0.47 0.00 0.00 36.82 39.69 1rrl h ILE 723 CO 0.66 0.00 -0.42 -0.07 -3.07 0.00 0.00 178.15 175.24 1rrl h LEU 724 N 0.00 0.51 0.17 2.19 4.07 -1.91 -0.28 115.31 120.06 1rrl h LEU 724 Ca 0.00 -0.23 -0.32 0.00 0.08 0.00 0.00 57.88 57.41 1rrl h LEU 724 Cb 0.48 -0.14 0.01 0.00 1.08 0.00 0.00 40.66 42.09 1rrl h LEU 724 CO 0.00 0.87 -1.56 -1.13 -1.08 0.00 0.00 178.44 175.55 1rrl h ASN 725 N 0.40 0.55 -2.67 -0.43 -1.24 -1.34 -3.41 115.58 107.44 1rrl h ASN 725 Ca 0.03 -0.91 -0.61 0.00 0.71 0.00 0.00 56.30 55.52 1rrl h ASN 725 Cb 0.91 -0.18 -0.42 0.00 0.73 0.00 0.00 38.32 39.36 1rrl h ASN 725 CO 0.08 1.70 -0.61 0.54 -1.29 0.00 0.00 177.43 177.85 1rrl n ARG 726 N -3.75 2.02 -2.04 6.67 5.12 -0.81 -5.01 116.66 118.86 1rrl n ARG 726 Ca -0.24 -4.48 -0.36 0.00 -1.93 0.00 0.00 57.85 50.84 1rrl n ARG 726 Cb 1.00 -2.22 0.03 0.00 -1.16 0.00 0.00 32.46 30.11 1rrl n ARG 726 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1rrl s PRO 727 N -1.80 3.13 -0.02 5.56 0.04 -0.12 -4.71 135.00 137.08 1rrl s PRO 727 Ca 0.31 1.85 0.20 0.00 0.04 0.00 0.00 61.00 63.41 1rrl s PRO 727 Cb 0.04 -2.04 -0.28 0.00 0.04 0.00 0.00 34.50 32.26 1rrl s PRO 727 CO -0.11 -1.09 0.59 0.25 0.04 0.00 0.00 177.00 176.68 1rrl n THR 728 N -1.35 0.00 -3.67 1.26 -2.24 -1.26 -4.32 114.28 102.70 1rrl n THR 728 Ca 0.12 -0.31 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 1rrl n THR 728 Cb 0.49 0.37 -0.07 0.00 -2.10 0.00 0.00 70.33 69.02 1rrl n THR 728 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1rrl s LEU 729 N -3.91 0.32 -0.13 3.22 0.05 -1.26 -1.30 118.68 115.68 1rrl s LEU 729 Ca -0.02 0.19 -0.01 0.00 0.05 0.00 0.00 54.13 54.34 1rrl s LEU 729 Cb 0.14 1.75 -0.02 0.00 -2.05 0.00 0.00 46.19 46.01 1rrl s LEU 729 CO 0.84 -0.57 -0.09 -0.94 -0.55 0.00 0.00 176.35 175.04 1rrl s SER 730 N -1.58 4.42 -0.04 1.48 1.04 -1.26 -2.28 113.70 115.48 1rrl s SER 730 Ca -0.10 -0.19 0.14 0.00 0.48 0.00 0.00 55.95 56.28 1rrl s SER 730 Cb -0.02 -1.57 0.42 0.00 0.10 0.00 0.00 66.02 64.95 1rrl s SER 730 CO 0.03 0.21 1.35 -2.11 0.98 0.00 0.00 173.24 173.69 1rrl n ARG 731 N 3.26 2.96 -3.69 4.02 1.85 0.26 0.24 116.66 125.56 1rrl n ARG 731 Ca -0.18 -2.33 -0.11 0.00 -1.00 0.00 0.00 57.85 54.23 1rrl n ARG 731 Cb 0.53 -1.46 -0.10 0.00 -1.05 0.00 0.00 32.46 30.38 1rrl n ARG 731 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1rrl s ARG 732 N -1.42 0.49 0.80 2.89 3.52 -1.25 -4.28 118.95 119.71 1rrl s ARG 732 Ca 0.32 0.84 -0.11 0.00 -0.13 0.00 0.00 55.73 56.65 1rrl s ARG 732 Cb 0.19 0.08 0.08 0.00 -1.56 0.00 0.00 34.95 33.74 1rrl s ARG 732 CO 0.17 -0.13 1.09 -0.06 -0.81 0.00 0.00 175.30 175.56 1rrl s PHE 733 N 1.14 2.53 0.24 5.12 0.08 -1.26 -4.88 117.98 120.95 1rrl s PHE 733 Ca -0.07 1.46 -0.31 0.00 0.12 0.00 0.00 56.93 58.13 1rrl s PHE 733 Cb -0.06 -3.07 -0.11 0.00 -0.57 0.00 0.00 43.02 39.20 1rrl s PHE 733 CO -0.10 -1.94 1.60 1.41 -0.10 0.00 0.00 175.22 176.09 1rrl s MET 734 N -4.92 4.16 0.35 0.44 -2.45 -1.26 -4.94 119.30 110.67 1rrl s MET 734 Ca 0.62 2.51 -0.29 0.00 -1.25 0.00 0.00 55.69 57.28 1rrl s MET 734 Cb -0.17 -3.07 -0.11 0.00 1.25 0.00 0.00 34.83 32.73 1rrl s MET 734 CO 0.56 -0.63 1.41 -2.14 1.05 0.00 0.00 175.02 175.27 1rrl s PRO 735 N 0.31 4.23 -0.09 4.11 0.02 -1.26 -5.03 135.00 137.29 1rrl s PRO 735 Ca 0.67 2.40 -0.01 0.00 0.02 0.00 0.00 61.00 64.09 1rrl s PRO 735 Cb -0.47 -3.02 -0.03 0.00 0.02 0.00 0.00 34.50 31.00 1rrl s PRO 735 CO 0.40 -0.38 -0.04 -1.21 -0.33 0.00 0.00 177.00 175.43 1rrl s GLU 736 N -1.79 2.98 0.00 5.54 2.02 -1.26 -4.89 118.70 121.30 1rrl s GLU 736 Ca 0.52 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 55.01 1rrl s GLU 736 Cb -0.43 -2.71 0.00 0.00 0.10 0.00 0.00 34.13 31.09 1rrl s GLU 736 CO 0.57 0.60 0.00 1.63 0.02 0.00 0.00 175.26 178.08 1rrl n LYS 737 N 2.44 0.00 0.00 1.61 4.01 -1.26 0.83 118.16 125.79 1rrl n LYS 737 Ca -0.18 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.62 1rrl n LYS 737 Cb 0.53 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.05 1rrl n LYS 737 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1rrl n GLY 738 N -0.10 0.55 3.59 0.72 0.00 -1.26 -5.02 105.19 103.66 1rrl n GLY 738 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1rrl n GLY 738 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rrl n SER 739 N -0.24 -0.17 0.12 1.61 2.88 0.24 -4.89 113.62 113.17 1rrl n SER 739 Ca 0.00 0.50 -0.03 0.00 -1.33 0.00 0.00 58.87 58.01 1rrl n SER 739 Cb 0.06 -1.39 0.10 0.00 -0.75 0.00 0.00 64.21 62.24 1rrl n SER 739 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rrl h ALA 740 N -1.16 0.83 -0.99 -1.46 0.00 -1.99 -2.58 119.26 111.90 1rrl h ALA 740 Ca -0.45 -0.63 0.13 0.00 0.00 0.00 0.00 54.91 53.96 1rrl h ALA 740 Cb 1.30 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 1rrl h ALA 740 CO 0.42 0.86 0.62 0.93 0.00 0.00 0.00 179.25 182.08 1rrl h GLU 741 N 0.02 0.91 -0.28 0.00 3.07 -1.92 -1.27 114.58 115.12 1rrl h GLU 741 Ca -0.01 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 58.70 1rrl h GLU 741 Cb 1.24 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.94 1rrl h GLU 741 CO 0.09 0.60 -0.19 -0.92 -1.40 0.00 0.00 179.01 177.20 1rrl h TYR 742 N 0.94 0.72 -0.05 4.33 5.03 -1.68 0.28 116.97 126.54 1rrl h TYR 742 Ca 0.50 -0.20 -0.10 0.00 2.58 0.00 0.00 58.73 61.51 1rrl h TYR 742 Cb 0.55 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.65 1rrl h TYR 742 CO -0.00 0.89 -0.42 1.49 -1.32 0.00 0.00 178.16 178.80 1rrl h GLU 743 N 0.35 0.11 -0.29 1.82 4.57 -1.46 0.16 114.58 119.85 1rrl h GLU 743 Ca 0.06 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.12 1rrl h GLU 743 Cb 0.73 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.30 1rrl h GLU 743 CO 0.05 0.52 -0.08 1.49 -1.18 0.00 0.00 179.01 179.81 1rrl h GLU 744 N 0.10 0.56 -0.85 1.92 4.81 -0.87 -1.79 114.58 118.46 1rrl h GLU 744 Ca 0.01 -0.22 0.08 0.00 -0.13 0.00 0.00 59.36 59.10 1rrl h GLU 744 Cb 0.78 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.06 1rrl h GLU 744 CO 0.06 0.76 0.51 1.25 -0.73 0.00 0.00 179.01 180.86 1rrl h LEU 745 N 0.31 0.77 -0.19 1.64 5.85 0.24 0.81 115.31 124.74 1rrl h LEU 745 Ca 0.07 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1rrl h LEU 745 Cb 0.56 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1rrl h LEU 745 CO 0.03 0.47 0.05 0.03 -0.34 0.00 0.00 178.44 178.68 1rrl h ARG 746 N 0.90 0.13 0.00 1.25 3.08 -0.54 -3.07 114.38 116.13 1rrl h ARG 746 Ca 0.39 -0.01 -0.36 0.00 0.07 0.00 0.00 59.98 60.07 1rrl h ARG 746 Cb 0.26 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.21 1rrl h ARG 746 CO -0.20 0.09 -2.31 1.17 -1.07 0.00 0.00 179.97 177.64 1rrl n LYS 747 N -5.06 0.68 -3.23 0.04 4.81 -0.69 -4.63 118.16 110.08 1rrl n LYS 747 Ca -0.03 0.02 -0.23 0.00 -0.87 0.00 0.00 58.31 57.20 1rrl n LYS 747 Cb 0.08 -1.55 -0.07 0.00 0.02 0.00 0.00 35.03 33.51 1rrl n LYS 747 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1rrl n ASN 748 N -2.78 -0.69 0.28 3.14 5.15 0.28 -5.00 115.26 115.64 1rrl n ASN 748 Ca -0.31 -2.58 0.15 0.00 -0.60 0.00 0.00 54.58 51.25 1rrl n ASN 748 Cb 1.14 -0.23 0.82 0.00 -0.53 0.00 0.00 39.78 40.98 1rrl n ASN 748 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1rrl h PRO 749 N 4.95 0.00 -0.04 1.20 0.13 -1.62 -2.95 132.00 133.68 1rrl h PRO 749 Ca 0.16 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 65.05 1rrl h PRO 749 Cb 0.93 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.07 1rrl h PRO 749 CO 0.36 0.07 -0.93 1.96 -0.23 0.00 0.00 178.00 179.24 1rrl h GLN 750 N 0.00 0.60 -0.45 0.86 4.20 -1.91 -2.34 115.11 116.07 1rrl h GLN 750 Ca -0.00 -0.59 -0.08 0.00 0.06 0.00 0.00 58.65 58.03 1rrl h GLN 750 Cb 0.29 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1rrl h GLN 750 CO 0.01 1.21 -0.05 -0.22 -0.67 0.00 0.00 178.83 179.11 1rrl h LYS 751 N 0.36 0.78 -0.62 1.46 1.63 -1.73 -0.45 116.57 117.99 1rrl h LYS 751 Ca -0.09 -0.23 -0.05 0.00 -0.85 0.00 0.00 60.65 59.43 1rrl h LYS 751 Cb 1.57 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 33.09 1rrl h LYS 751 CO 0.18 0.82 0.18 0.00 -3.45 0.00 0.00 179.45 177.17 1rrl h ALA 752 N 1.22 1.13 -0.06 5.00 0.00 -1.54 0.54 119.26 125.57 1rrl h ALA 752 Ca 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1rrl h ALA 752 Cb 0.51 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1rrl h ALA 752 CO 0.03 0.59 -0.07 -0.92 0.00 0.00 0.00 179.25 178.88 1rrl h TYR 753 N 0.92 0.18 -0.50 0.00 3.20 -0.88 -2.76 116.97 117.14 1rrl h TYR 753 Ca 0.20 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 1rrl h TYR 753 Cb 0.29 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 1rrl h TYR 753 CO 0.02 0.63 0.19 -0.07 -1.64 0.00 0.00 178.16 177.29 1rrl h LEU 754 N -0.32 0.65 0.00 2.82 3.38 -0.63 -2.16 115.31 119.06 1rrl h LEU 754 Ca 0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1rrl h LEU 754 Cb 0.61 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1rrl h LEU 754 CO 0.02 0.60 0.00 2.29 0.09 0.00 0.00 178.44 181.43 1rrl n LYS 755 N -4.34 0.30 -0.03 1.13 2.85 0.19 -3.21 118.16 115.05 1rrl n LYS 755 Ca 0.04 0.07 -0.21 0.00 -1.05 0.00 0.00 58.31 57.16 1rrl n LYS 755 Cb 0.16 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 32.91 1rrl n LYS 755 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1rrl n THR 756 N -1.30 1.72 -2.38 0.58 -1.04 -0.85 -4.53 114.28 106.47 1rrl n THR 756 Ca 0.10 -0.62 -0.25 0.00 -2.04 0.00 0.00 64.05 61.25 1rrl n THR 756 Cb 0.19 -1.69 0.11 0.00 -1.82 0.00 0.00 70.33 67.12 1rrl n THR 756 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1rrl s ILE 757 N -2.54 2.17 0.08 12.58 -4.36 -1.00 -0.57 121.20 127.56 1rrl s ILE 757 Ca -0.25 -0.42 -0.27 0.00 -0.26 0.00 0.00 60.65 59.45 1rrl s ILE 757 Cb 0.07 -2.75 -0.15 0.00 1.25 0.00 0.00 42.46 40.88 1rrl s ILE 757 CO 0.73 0.00 0.63 0.41 0.24 0.00 0.00 174.94 176.94 1rrl n THR 758 N -3.01 0.84 -1.31 8.37 -1.04 -0.96 -4.66 114.28 112.50 1rrl n THR 758 Ca 0.13 -0.21 -0.31 0.00 -2.04 0.00 0.00 64.05 61.63 1rrl n THR 758 Cb 0.60 0.00 0.10 0.00 -1.82 0.00 0.00 70.33 69.21 1rrl n THR 758 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1rrl s PRO 759 N -0.42 2.05 0.22 -2.82 0.02 -1.26 -4.76 135.00 128.03 1rrl s PRO 759 Ca 0.61 1.00 -0.08 0.00 0.02 0.00 0.00 61.00 62.55 1rrl s PRO 759 Cb -0.87 -1.89 0.29 0.00 0.02 0.00 0.00 34.50 32.05 1rrl s PRO 759 CO 0.45 -1.74 1.79 -0.22 -0.33 0.00 0.00 177.00 176.95 1rrl h LYS 760 N -1.19 0.60 0.28 5.54 3.64 -1.93 0.37 116.57 123.89 1rrl h LYS 760 Ca -0.45 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1rrl h LYS 760 Cb 1.25 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 1rrl h LYS 760 CO 0.54 0.40 -0.26 0.35 -2.27 0.00 0.00 179.45 178.21 1rrl h PHE 761 N 0.62 -0.69 0.00 1.91 3.57 -1.92 -0.22 116.94 120.21 1rrl h PHE 761 Ca 0.32 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.83 1rrl h PHE 761 Cb 0.29 0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.30 1rrl h PHE 761 CO -0.10 -0.38 0.00 1.04 -2.23 0.00 0.00 178.31 176.64 1rrl n GLN 762 N -5.38 0.00 -0.14 1.11 3.00 -1.10 -1.45 117.38 113.42 1rrl n GLN 762 Ca -0.09 0.03 -0.11 0.00 -0.01 0.00 0.00 57.00 56.82 1rrl n GLN 762 Cb 0.29 -1.50 0.01 0.00 0.00 0.00 0.00 30.24 29.04 1rrl n GLN 762 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 1rrl h THR 763 N 0.00 1.27 0.00 5.09 2.02 0.12 -2.96 112.91 118.44 1rrl h THR 763 Ca 0.00 -1.43 -0.06 0.00 0.77 0.00 0.00 66.41 65.69 1rrl h THR 763 Cb 0.47 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1rrl h THR 763 CO 0.00 0.49 -0.28 -0.07 0.37 0.00 0.00 175.52 176.03 1rrl h LEU 764 N 0.81 0.00 -0.04 2.58 3.38 0.06 -1.21 115.31 120.89 1rrl h LEU 764 Ca 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1rrl h LEU 764 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1rrl h LEU 764 CO 0.07 0.28 -0.21 0.40 0.09 0.00 0.00 178.44 179.08 1rrl h ILE 765 N 0.00 1.47 -0.35 1.22 2.04 -1.55 -1.61 117.51 118.73 1rrl h ILE 765 Ca -0.00 -1.69 -0.01 0.00 1.00 0.00 0.00 64.86 64.15 1rrl h ILE 765 Cb 0.54 2.45 -0.02 0.00 -0.74 0.00 0.00 36.82 39.06 1rrl h ILE 765 CO 0.04 0.47 0.17 -0.78 0.00 0.00 0.00 178.15 178.04 1rrl h ASP 766 N -0.34 0.46 -0.29 1.72 3.58 -1.35 0.42 116.42 120.61 1rrl h ASP 766 Ca -0.01 -0.13 0.06 0.00 0.42 0.00 0.00 57.03 57.37 1rrl h ASP 766 Cb 0.88 -0.12 -0.06 0.00 1.72 0.00 0.00 39.33 41.75 1rrl h ASP 766 CO 0.04 0.46 -0.09 -0.07 -2.88 0.00 0.00 179.24 176.71 1rrl h LEU 767 N 0.43 -0.31 -1.15 2.28 4.07 -1.30 0.43 115.31 119.75 1rrl h LEU 767 Ca 0.12 0.09 0.01 0.00 0.08 0.00 0.00 57.88 58.18 1rrl h LEU 767 Cb 0.12 0.20 -0.04 0.00 1.08 0.00 0.00 40.66 42.02 1rrl h LEU 767 CO -0.01 -0.11 0.55 0.28 -1.08 0.00 0.00 178.44 178.06 1rrl h SER 768 N -0.02 0.97 0.08 -0.43 0.02 -0.86 -1.69 113.55 111.63 1rrl h SER 768 Ca 0.14 -0.03 -0.21 0.00 -0.84 0.00 0.00 61.79 60.85 1rrl h SER 768 Cb 0.24 -0.24 0.02 0.00 0.14 0.00 0.00 62.40 62.55 1rrl h SER 768 CO -0.31 0.72 -0.87 0.58 -1.14 0.00 0.00 176.83 175.80 1rrl h VAL 769 N 1.14 1.41 0.00 2.27 2.07 0.30 -3.22 116.25 120.23 1rrl h VAL 769 Ca 0.31 -2.34 -0.03 0.00 0.82 0.00 0.00 66.70 65.46 1rrl h VAL 769 Cb -0.11 2.82 -0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1rrl h VAL 769 CO -0.06 0.69 -0.12 0.16 0.02 0.00 0.00 177.57 178.25 1rrl h ILE 770 N -0.07 0.31 -0.09 4.57 3.07 -0.02 -2.55 117.51 122.72 1rrl h ILE 770 Ca -0.13 -0.84 -0.15 0.00 1.55 0.00 0.00 64.86 65.29 1rrl h ILE 770 Cb 1.61 1.65 -0.01 0.00 -0.27 0.00 0.00 36.82 39.80 1rrl h ILE 770 CO 0.17 0.12 -0.60 -0.08 -1.05 0.00 0.00 178.15 176.71 1rrl h GLU 771 N 0.00 0.31 -0.04 0.16 4.81 -1.36 -1.23 114.58 117.23 1rrl h GLU 771 Ca -0.00 -0.21 -0.17 0.00 -0.13 0.00 0.00 59.36 58.85 1rrl h GLU 771 Cb 0.64 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1rrl h GLU 771 CO 0.02 0.82 -0.70 0.82 -0.73 0.00 0.00 179.01 179.23 1rrl h ILE 772 N 0.23 1.42 0.00 2.32 2.04 -1.49 -3.12 117.51 118.91 1rrl h ILE 772 Ca -0.00 -2.21 -0.01 0.00 1.00 0.00 0.00 64.86 63.64 1rrl h ILE 772 Cb 1.11 2.17 -0.00 0.00 -0.74 0.00 0.00 36.82 39.36 1rrl h ILE 772 CO 0.10 0.65 -0.03 -0.07 0.00 0.00 0.00 178.15 178.79 1rrl h LEU 773 N 0.16 0.00 -2.39 1.44 4.07 -0.93 -2.16 115.31 115.49 1rrl h LEU 773 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1rrl h LEU 773 Cb 1.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.00 1rrl h LEU 773 CO 0.11 0.03 0.00 -1.20 -1.08 0.00 0.00 178.44 176.30 1rrl n SER 774 N -3.13 3.54 -4.53 -0.43 7.64 -0.55 -4.75 113.62 111.41 1rrl n SER 774 Ca 0.01 -1.99 -0.34 0.00 1.01 0.00 0.00 58.87 57.57 1rrl n SER 774 Cb 0.35 -0.33 -0.12 0.00 -1.01 0.00 0.00 64.21 63.11 1rrl n SER 774 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1rrl s ARG 775 N -1.35 3.03 -0.34 1.43 3.52 -0.82 -4.43 118.95 119.99 1rrl s ARG 775 Ca 0.42 -0.57 -0.23 0.00 -0.13 0.00 0.00 55.73 55.22 1rrl s ARG 775 Cb 0.23 -2.65 0.01 0.00 -1.56 0.00 0.00 34.95 30.98 1rrl s ARG 775 CO 0.32 0.50 0.78 -1.01 -0.81 0.00 0.00 175.30 175.09 1rrl s HIS 776 N -0.38 3.14 0.44 5.12 3.76 -0.48 -4.89 115.29 122.01 1rrl s HIS 776 Ca 0.05 0.65 -0.23 0.00 -0.15 0.00 0.00 55.06 55.38 1rrl s HIS 776 Cb -0.12 -3.33 -0.10 0.00 1.11 0.00 0.00 32.58 30.13 1rrl s HIS 776 CO 0.02 -0.67 0.91 0.00 -0.85 0.00 0.00 174.74 174.16 1rrl n ALA 777 N 6.34 -0.14 0.20 -1.40 0.00 -1.26 -1.19 120.51 123.05 1rrl n ALA 777 Ca 0.03 0.19 0.04 0.00 0.00 0.00 0.00 53.44 53.70 1rrl n ALA 777 Cb 0.48 -2.03 0.41 0.00 0.00 0.00 0.00 19.45 18.32 1rrl n ALA 777 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1rrl h SER 778 N 1.27 0.00 -0.76 0.00 0.87 -1.91 -2.73 113.55 110.29 1rrl h SER 778 Ca -0.44 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 59.76 1rrl h SER 778 Cb 1.35 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 63.10 1rrl h SER 778 CO 0.55 0.32 0.38 -0.90 -0.53 0.00 0.00 176.83 176.64 1rrl n ASP 779 N -4.10 3.60 -4.77 6.23 5.75 -1.26 -4.89 116.55 117.11 1rrl n ASP 779 Ca -0.02 -3.57 -0.39 0.00 -0.01 0.00 0.00 54.79 50.80 1rrl n ASP 779 Cb 0.36 -0.76 -0.02 0.00 -1.03 0.00 0.00 41.12 39.68 1rrl n ASP 779 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1rrl s GLU 780 N -3.22 4.11 -0.24 0.11 2.56 -1.03 -5.00 118.70 115.99 1rrl s GLU 780 Ca 0.53 2.01 -0.05 0.00 0.00 0.00 0.00 54.97 57.46 1rrl s GLU 780 Cb 0.45 -2.80 -0.01 0.00 2.00 0.00 0.00 34.13 33.77 1rrl s GLU 780 CO 0.08 -0.33 0.00 0.08 -0.56 0.00 0.00 175.26 174.54 1rrl s VAL 781 N -1.30 3.65 0.24 3.70 1.01 -1.26 -5.09 120.40 121.34 1rrl s VAL 781 Ca 0.55 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1rrl s VAL 781 Cb -0.35 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1rrl s VAL 781 CO 0.45 0.34 0.39 -0.31 0.00 0.00 0.00 175.10 175.97 1rrl s TYR 782 N 1.50 3.47 -0.28 5.22 1.51 -1.26 -2.38 117.35 125.14 1rrl s TYR 782 Ca 0.05 0.17 -0.43 0.00 -1.01 0.00 0.00 57.07 55.85 1rrl s TYR 782 Cb -0.15 -1.72 -0.19 0.00 -0.11 0.00 0.00 41.96 39.79 1rrl s TYR 782 CO -0.01 0.37 1.48 -0.11 -1.11 0.00 0.00 175.55 176.17 1rrl n LEU 783 N -1.14 1.20 0.00 -1.29 7.94 -0.76 -1.68 117.00 121.26 1rrl n LEU 783 Ca -0.07 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 1rrl n LEU 783 Cb 0.55 -0.97 0.00 0.00 0.53 0.00 0.00 43.42 43.53 1rrl n LEU 783 CO 0.47 -1.03 0.00 0.61 -1.11 0.00 0.00 177.39 176.33 1rrl n GLY 784 N 3.31 0.83 0.13 -3.96 0.00 -1.26 -3.64 105.19 100.59 1rrl n GLY 784 Ca 0.26 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.10 1rrl n GLY 784 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1rrl h GLU 785 N 0.29 0.23 -5.72 1.61 4.81 -1.89 -3.10 114.58 110.80 1rrl h GLU 785 Ca 0.00 -0.38 -0.66 0.00 -0.13 0.00 0.00 59.36 58.18 1rrl h GLU 785 Cb 0.00 0.14 -0.21 0.00 0.63 0.00 0.00 28.75 29.31 1rrl h GLU 785 CO 0.00 1.07 -0.70 1.03 -0.73 0.00 0.00 179.01 179.68 1rrl s ARG 786 N -2.58 3.17 0.00 1.92 0.52 -0.68 -4.95 118.95 116.36 1rrl s ARG 786 Ca -0.17 -0.56 0.00 0.00 -0.52 0.00 0.00 55.73 54.48 1rrl s ARG 786 Cb 0.07 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 32.83 1rrl s ARG 786 CO 0.80 0.44 0.00 -3.47 0.02 0.00 0.00 175.30 173.09 1rrl n ASP 787 N 2.89 0.53 0.00 0.23 2.03 -1.26 -4.66 116.55 116.31 1rrl n ASP 787 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 1rrl n ASP 787 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 1rrl n ASP 787 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1rrl n ASN 788 N 0.00 0.00 0.00 1.67 5.03 -1.26 -5.01 115.26 115.69 1rrl n ASN 788 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1rrl n ASN 788 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1rrl n ASN 788 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1rrl n PRO 789 N 0.00 0.00 -1.89 3.52 -0.05 -1.26 -4.99 135.00 130.33 1rrl n PRO 789 Ca 0.00 0.00 -0.35 0.00 -0.05 0.00 0.00 63.50 63.10 1rrl n PRO 789 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 33.50 33.44 1rrl n PRO 789 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 1rrl n ASN 790 N 0.00 7.23 -0.22 3.54 4.13 -1.26 -4.92 115.26 123.75 1rrl n ASN 790 Ca 0.00 -3.43 0.21 0.00 1.68 0.00 0.00 54.58 53.03 1rrl n ASN 790 Cb 0.00 -1.21 0.56 0.00 -1.54 0.00 0.00 39.78 37.59 1rrl n ASN 790 CO 0.00 0.00 0.00 4.11 0.28 0.00 0.00 177.26 181.65 1rrl h TRP 791 N 3.53 0.43 -3.39 3.10 5.08 -1.94 -3.41 115.95 119.35 1rrl h TRP 791 Ca 0.53 0.01 -0.15 0.00 1.08 0.00 0.00 58.89 60.36 1rrl h TRP 791 Cb 0.39 -0.13 -0.23 0.00 -3.00 0.00 0.00 29.16 26.19 1rrl h TRP 791 CO 1.40 0.11 -0.48 -0.08 -1.28 0.00 0.00 178.44 178.12 1rrl s THR 792 N -5.33 0.05 -2.20 0.12 -1.32 -1.26 -4.84 115.64 100.86 1rrl s THR 792 Ca -0.07 -0.43 0.22 0.00 -1.21 0.00 0.00 61.69 60.19 1rrl s THR 792 Cb 0.22 -0.39 0.53 0.00 -1.51 0.00 0.00 72.50 71.35 1rrl s THR 792 CO 0.78 -0.24 1.68 -1.54 -2.21 0.00 0.00 174.62 173.09 1rrl n SER 793 N 1.98 1.01 -4.60 8.08 3.41 -1.12 -4.73 113.62 117.65 1rrl n SER 793 Ca -0.19 -1.53 -0.43 0.00 -0.26 0.00 0.00 58.87 56.46 1rrl n SER 793 Cb 0.57 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.44 1rrl n SER 793 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1rrl s ASP 794 N -1.67 6.51 0.34 4.04 -1.08 -1.26 -4.88 116.67 118.67 1rrl s ASP 794 Ca 0.33 0.46 0.26 0.00 -0.52 0.00 0.00 52.55 53.08 1rrl s ASP 794 Cb 0.17 -2.55 0.79 0.00 -1.46 0.00 0.00 42.92 39.87 1rrl s ASP 794 CO 0.27 -1.36 1.75 0.71 0.52 0.00 0.00 175.17 177.06 1rrl h THR 795 N 6.28 0.00 -0.19 1.71 1.35 -1.99 -2.83 112.91 117.24 1rrl h THR 795 Ca -0.24 -0.59 -0.20 0.00 -0.55 0.00 0.00 66.41 64.83 1rrl h THR 795 Cb 1.07 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 1rrl h THR 795 CO 1.13 0.00 -0.67 0.03 -0.25 0.00 0.00 175.52 175.77 1rrl h ARG 796 N 0.00 0.72 -0.33 4.72 3.08 -1.99 -0.53 114.38 120.04 1rrl h ARG 796 Ca 0.00 -0.52 -0.08 0.00 0.07 0.00 0.00 59.98 59.44 1rrl h ARG 796 Cb 0.71 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 1rrl h ARG 796 CO 0.00 1.14 -0.15 0.00 -1.07 0.00 0.00 179.97 179.90 1rrl h ALA 797 N 0.73 1.12 -0.43 0.04 0.00 -1.96 -1.35 119.26 117.41 1rrl h ALA 797 Ca -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1rrl h ALA 797 Cb 1.27 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1rrl h ALA 797 CO 0.13 0.55 0.21 -0.07 0.00 0.00 0.00 179.25 180.07 1rrl h LEU 798 N 0.54 0.56 -0.53 0.00 4.07 -1.34 0.48 115.31 119.10 1rrl h LEU 798 Ca 0.09 -0.13 0.01 0.00 0.08 0.00 0.00 57.88 57.94 1rrl h LEU 798 Cb 0.56 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.13 1rrl h LEU 798 CO 0.04 0.53 0.34 -0.33 -1.08 0.00 0.00 178.44 177.93 1rrl h GLU 799 N 0.56 0.66 -0.17 1.13 5.08 -0.96 -0.69 114.58 120.18 1rrl h GLU 799 Ca 0.15 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1rrl h GLU 799 Cb 0.12 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1rrl h GLU 799 CO -0.02 0.44 0.07 0.00 -1.00 0.00 0.00 179.01 178.50 1rrl h ALA 800 N 1.21 0.22 -0.40 3.43 0.00 -1.10 -2.71 119.26 119.92 1rrl h ALA 800 Ca 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1rrl h ALA 800 Cb -0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1rrl h ALA 800 CO -0.07 -0.19 0.15 0.35 0.00 0.00 0.00 179.25 179.49 1rrl h PHE 801 N 0.13 0.56 -0.55 0.00 3.57 -0.62 -2.66 116.94 117.36 1rrl h PHE 801 Ca 0.06 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 1rrl h PHE 801 Cb 0.16 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1rrl h PHE 801 CO -0.02 0.45 0.08 -0.22 -2.23 0.00 0.00 178.31 176.37 1rrl h LYS 802 N 0.56 0.89 -0.59 1.11 3.11 -0.87 -2.63 116.57 118.15 1rrl h LYS 802 Ca 0.14 -0.22 -0.08 0.00 -2.81 0.00 0.00 60.65 57.68 1rrl h LYS 802 Cb 0.13 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.23 1rrl h LYS 802 CO -0.01 0.84 0.07 0.00 -2.81 0.00 0.00 179.45 177.54 1rrl h ARG 803 N 0.84 0.99 -0.21 1.90 3.08 -1.18 -1.86 114.38 117.95 1rrl h ARG 803 Ca 0.17 -0.28 0.05 0.00 0.07 0.00 0.00 59.98 60.00 1rrl h ARG 803 Cb 0.39 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.28 1rrl h ARG 803 CO 0.01 0.95 -0.16 0.35 -1.07 0.00 0.00 179.97 180.05 1rrl h PHE 804 N 0.89 -0.40 -0.70 3.04 3.57 -1.28 0.25 116.94 122.32 1rrl h PHE 804 Ca 0.18 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 1rrl h PHE 804 Cb 0.46 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 1rrl h PHE 804 CO 0.03 -0.23 0.23 0.78 -2.23 0.00 0.00 178.31 176.89 1rrl h GLY 805 N -0.16 1.16 1.40 2.40 0.00 -1.39 0.58 103.07 107.05 1rrl h GLY 805 Ca 0.12 -0.68 -0.03 0.00 0.00 0.00 0.00 47.33 46.74 1rrl h GLY 805 CO -0.30 0.63 0.21 3.43 0.00 0.00 0.00 176.54 180.51 1rrl h ASN 806 N 1.02 0.71 -0.44 0.19 -0.26 -1.03 -1.23 115.58 114.53 1rrl h ASN 806 Ca 0.23 -0.09 -0.15 0.00 -0.56 0.00 0.00 56.30 55.73 1rrl h ASN 806 Cb 0.29 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 1rrl h ASN 806 CO -0.01 0.64 -0.29 0.50 -1.06 0.00 0.00 177.43 177.21 1rrl h LYS 807 N 0.77 0.98 -0.28 0.81 3.11 0.13 -2.59 116.57 119.51 1rrl h LYS 807 Ca 0.18 -0.46 -0.06 0.00 -2.81 0.00 0.00 60.65 57.50 1rrl h LYS 807 Cb 0.16 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.36 1rrl h LYS 807 CO -0.02 1.13 -0.11 -0.07 -2.81 0.00 0.00 179.45 177.58 1rrl h LEU 808 N 0.82 0.44 -0.23 5.20 3.38 -0.46 0.27 115.31 124.73 1rrl h LEU 808 Ca 0.09 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 1rrl h LEU 808 Cb 0.88 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1rrl h LEU 808 CO 0.08 0.59 -0.53 0.00 0.09 0.00 0.00 178.44 178.67 1rrl h ALA 809 N 1.46 0.38 -0.75 1.53 0.00 -1.04 0.50 119.26 121.33 1rrl h ALA 809 Ca 0.08 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1rrl h ALA 809 Cb 0.45 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1rrl h ALA 809 CO 0.03 0.58 0.33 1.96 0.00 0.00 0.00 179.25 182.14 1rrl h GLN 810 N 0.51 1.11 -0.40 0.00 4.20 -1.19 -1.40 115.11 117.94 1rrl h GLN 810 Ca 0.00 -0.19 0.03 0.00 0.06 0.00 0.00 58.65 58.56 1rrl h GLN 810 Cb 1.14 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.69 1rrl h GLN 810 CO 0.12 0.89 0.19 0.82 -0.67 0.00 0.00 178.83 180.18 1rrl h ILE 811 N 1.08 0.96 -0.93 2.54 2.04 -0.32 -2.48 117.51 120.39 1rrl h ILE 811 Ca 0.25 -0.13 0.07 0.00 1.00 0.00 0.00 64.86 66.05 1rrl h ILE 811 Cb 0.17 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 36.72 1rrl h ILE 811 CO -0.03 0.07 0.59 -0.08 0.00 0.00 0.00 178.15 178.70 1rrl h GLU 812 N 0.39 1.01 -0.17 2.37 4.81 0.83 -1.67 114.58 122.15 1rrl h GLU 812 Ca 0.18 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 1rrl h GLU 812 Cb 0.10 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1rrl h GLU 812 CO -0.13 0.67 -0.28 -0.91 -0.73 0.00 0.00 179.01 177.62 1rrl h ASN 813 N 1.04 0.32 0.47 1.04 -0.26 -1.16 -2.28 115.58 114.75 1rrl h ASN 813 Ca 0.42 -0.11 -0.13 0.00 -0.56 0.00 0.00 56.30 55.92 1rrl h ASN 813 Cb 0.23 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.38 1rrl h ASN 813 CO -0.19 0.60 -0.59 0.50 -1.06 0.00 0.00 177.43 176.69 1rrl h LYS 814 N 0.28 0.12 0.22 0.81 3.64 -0.87 -1.09 116.57 119.68 1rrl h LYS 814 Ca 0.04 -0.08 -0.34 0.00 -1.27 0.00 0.00 60.65 59.00 1rrl h LYS 814 Cb 0.65 0.01 0.02 0.00 -0.41 0.00 0.00 32.23 32.51 1rrl h LYS 814 CO 0.05 0.67 -1.60 -0.07 -2.27 0.00 0.00 179.45 176.23 1rrl h LEU 815 N 0.09 0.71 -1.30 5.20 4.07 -1.24 -1.70 115.31 121.15 1rrl h LEU 815 Ca -0.00 -0.89 -0.02 0.00 0.08 0.00 0.00 57.88 57.04 1rrl h LEU 815 Cb 1.06 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.54 1rrl h LEU 815 CO 0.08 1.72 0.19 0.28 -1.08 0.00 0.00 178.44 179.63 1rrl h SER 816 N 0.12 0.60 -0.25 -0.43 0.02 -1.41 -0.50 113.55 111.70 1rrl h SER 816 Ca -0.29 -0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 60.48 1rrl h SER 816 Cb 2.13 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 64.50 1rrl h SER 816 CO 0.23 0.55 -0.25 -0.08 -1.14 0.00 0.00 176.83 176.13 1rrl h GLU 817 N 0.66 0.73 -0.42 3.45 4.81 -1.12 -2.85 114.58 119.85 1rrl h GLU 817 Ca 0.16 -0.30 -0.13 0.00 -0.13 0.00 0.00 59.36 58.96 1rrl h GLU 817 Cb 0.13 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1rrl h GLU 817 CO -0.02 0.91 -0.25 0.00 -0.73 0.00 0.00 179.01 178.92 1rrl h ARG 818 N 0.64 0.88 -0.01 1.92 3.08 -0.49 -2.58 114.38 117.82 1rrl h ARG 818 Ca 0.08 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1rrl h ARG 818 Cb 0.75 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 1rrl h ARG 818 CO 0.06 1.03 0.01 -0.91 -1.07 0.00 0.00 179.97 179.09 1rrl h ASN 819 N 0.76 0.00 -0.27 7.04 -0.26 -1.07 -1.11 115.58 120.67 1rrl h ASN 819 Ca 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 1rrl h ASN 819 Cb 0.80 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.06 1rrl h ASN 819 CO 0.07 0.00 0.00 0.59 -1.06 0.00 0.00 177.43 177.03 1rrl n ASN 820 N -3.67 2.04 -4.39 5.81 3.02 -0.98 -4.80 115.26 112.30 1rrl n ASN 820 Ca -0.03 -1.84 -0.45 0.00 -0.03 0.00 0.00 54.58 52.23 1rrl n ASN 820 Cb 0.09 -0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 39.05 1rrl n ASN 820 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rrl s ASP 821 N -1.36 6.48 0.24 6.41 -1.08 -0.42 -4.92 116.67 122.01 1rrl s ASP 821 Ca 0.31 -1.94 -0.09 0.00 -0.52 0.00 0.00 52.55 50.32 1rrl s ASP 821 Cb 0.17 -2.32 0.37 0.00 -1.46 0.00 0.00 42.92 39.68 1rrl s ASP 821 CO 0.24 -0.98 1.39 1.21 0.52 0.00 0.00 175.17 177.55 1rrl n GLU 822 N 5.87 -0.11 0.05 4.34 0.00 -1.26 -0.27 120.64 129.26 1rrl n GLU 822 Ca 0.08 1.38 0.21 0.00 0.00 0.00 0.00 57.16 58.84 1rrl n GLU 822 Cb 0.46 -2.06 0.72 0.00 0.00 0.00 0.00 31.44 30.55 1rrl n GLU 822 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1rrl h LYS 823 N 0.00 0.00 -3.20 5.31 1.57 -1.95 -3.24 116.57 115.05 1rrl h LYS 823 Ca 0.40 0.00 -0.77 0.00 -1.87 0.00 0.00 60.65 58.41 1rrl h LYS 823 Cb 0.63 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.75 1rrl h LYS 823 CO -0.91 0.00 1.67 1.28 -0.57 0.00 0.00 179.45 180.92 1rrl n LEU 824 N -3.67 6.75 -0.22 2.94 4.77 0.62 -4.87 117.00 123.33 1rrl n LEU 824 Ca 0.09 -4.86 0.28 0.00 -0.03 0.00 0.00 56.01 51.50 1rrl n LEU 824 Cb 0.72 -1.40 0.70 0.00 -2.33 0.00 0.00 43.42 41.11 1rrl n LEU 824 CO 0.27 1.56 1.27 -0.09 -1.33 0.00 0.00 177.39 179.07 1rrl h ARG 825 N 5.49 0.06 0.00 3.23 9.65 -1.80 -1.73 114.38 129.28 1rrl h ARG 825 Ca 0.37 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.25 1rrl h ARG 825 Cb 0.58 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 1rrl h ARG 825 CO 1.52 0.04 0.00 0.09 2.80 0.00 0.00 179.97 184.42 1rrl n ASN 826 N -4.30 0.00 0.06 -3.80 3.02 -1.26 -0.78 115.26 108.20 1rrl n ASN 826 Ca 0.20 -0.41 -0.16 0.00 -0.03 0.00 0.00 54.58 54.18 1rrl n ASN 826 Cb 0.98 -0.16 -0.07 0.00 -0.61 0.00 0.00 39.78 39.92 1rrl n ASN 826 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1rrl h ARG 827 N 0.00 0.50 0.00 3.52 2.43 -1.63 -3.43 114.38 115.77 1rrl h ARG 827 Ca 0.00 -0.55 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 1rrl h ARG 827 Cb 0.14 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1rrl h ARG 827 CO 0.00 1.19 -0.62 0.00 -1.51 0.00 0.00 179.97 179.03 1rrl n GLY 829 N 3.03 -2.47 0.00 0.00 0.00 0.04 -2.92 105.19 102.88 1rrl n GLY 829 Ca 0.00 -1.61 0.14 0.00 0.00 0.00 0.00 46.02 44.55 1rrl n GLY 829 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rrl n PRO 830 N -0.63 0.01 0.09 1.61 -0.04 -1.26 -1.56 135.00 133.21 1rrl n PRO 830 Ca 0.00 0.01 0.13 0.00 -0.04 0.00 0.00 63.50 63.59 1rrl n PRO 830 Cb 0.00 -1.51 0.46 0.00 -0.04 0.00 0.00 33.50 32.40 1rrl n PRO 830 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1rrl n VAL 831 N -1.53 0.57 -3.98 0.52 3.14 -1.26 -4.77 118.33 111.02 1rrl n VAL 831 Ca 0.07 -0.09 -0.39 0.00 -2.96 0.00 0.00 64.34 60.97 1rrl n VAL 831 Cb 0.34 -0.72 0.01 0.00 -1.06 0.00 0.00 33.84 32.41 1rrl n VAL 831 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rrl n GLN 832 N -2.08 -0.65 -3.52 1.45 1.13 -0.60 -4.51 117.38 108.60 1rrl n GLN 832 Ca 0.05 0.26 -0.29 0.00 -1.94 0.00 0.00 57.00 55.08 1rrl n GLN 832 Cb 0.36 -2.25 -0.12 0.00 0.11 0.00 0.00 30.24 28.34 1rrl n GLN 832 CO 0.00 0.00 0.00 1.41 -1.44 0.00 0.00 177.06 177.03 1rrl s MET 833 N -6.57 0.72 0.32 -1.09 -2.45 -1.15 -4.88 119.30 104.20 1rrl s MET 833 Ca 0.32 -1.48 -0.29 0.00 -1.25 0.00 0.00 55.69 52.98 1rrl s MET 833 Cb -0.18 -1.54 -0.12 0.00 1.25 0.00 0.00 34.83 34.25 1rrl s MET 833 CO 0.92 -1.20 1.51 -2.30 1.05 0.00 0.00 175.02 175.00 1rrl n PRO 834 N 3.93 2.56 -2.16 4.11 -0.02 -1.26 -4.36 135.00 137.80 1rrl n PRO 834 Ca 0.11 0.91 -0.36 0.00 -2.02 0.00 0.00 63.50 62.14 1rrl n PRO 834 Cb 0.36 -2.64 -0.04 0.00 -0.02 0.00 0.00 33.50 31.17 1rrl n PRO 834 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1rrl s TYR 835 N -0.51 1.87 -0.61 6.00 5.04 0.38 -4.77 117.35 124.74 1rrl s TYR 835 Ca 0.60 0.48 0.07 0.00 -2.44 0.00 0.00 57.07 55.77 1rrl s TYR 835 Cb -0.51 -4.21 0.19 0.00 0.35 0.00 0.00 41.96 37.78 1rrl s TYR 835 CO 0.55 -2.09 1.14 0.25 -1.34 0.00 0.00 175.55 174.07 1rrl n THR 836 N 7.25 0.95 0.57 4.34 -2.24 -1.26 -4.62 114.28 119.27 1rrl n THR 836 Ca 0.24 -0.97 0.07 0.00 -2.27 0.00 0.00 64.05 61.12 1rrl n THR 836 Cb 0.50 0.53 0.33 0.00 -2.10 0.00 0.00 70.33 69.59 1rrl n THR 836 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1rrl n LEU 837 N 0.17 0.00 -0.04 3.22 7.94 -1.16 -1.67 117.00 125.45 1rrl n LEU 837 Ca 0.07 0.39 0.05 0.00 -1.11 0.00 0.00 56.01 55.41 1rrl n LEU 837 Cb 0.35 -0.39 0.07 0.00 0.53 0.00 0.00 43.42 43.98 1rrl n LEU 837 CO 0.05 -0.21 0.52 0.18 -1.11 0.00 0.00 177.39 176.82 1rrl n LEU 838 N -1.39 2.08 -4.68 -1.96 7.99 -1.26 -4.32 117.00 113.45 1rrl n LEU 838 Ca 0.05 -2.44 -0.42 0.00 -0.01 0.00 0.00 56.01 53.18 1rrl n LEU 838 Cb 0.14 -0.20 -0.03 0.00 -0.11 0.00 0.00 43.42 43.22 1rrl n LEU 838 CO 0.12 0.58 1.21 -0.76 -1.51 0.00 0.00 177.39 177.03 1rrl s LEU 839 N -1.84 4.31 0.38 2.23 1.02 -0.67 -4.93 118.68 119.19 1rrl s LEU 839 Ca 0.15 2.16 0.17 0.00 0.02 0.00 0.00 54.13 56.63 1rrl s LEU 839 Cb 0.13 -3.55 0.75 0.00 0.02 0.00 0.00 46.19 43.54 1rrl s LEU 839 CO 0.01 -0.80 1.79 1.55 0.02 0.00 0.00 176.35 178.93 1rrl h PRO 840 N 8.34 0.00 -6.20 1.29 0.13 -1.89 -1.50 132.00 132.17 1rrl h PRO 840 Ca -0.38 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.25 1rrl h PRO 840 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 1rrl h PRO 840 CO 0.93 0.37 -0.47 -1.54 -0.23 0.00 0.00 178.00 177.06 1rrl s SER 841 N -6.61 5.38 -0.20 1.44 1.04 -1.26 -2.40 113.70 111.10 1rrl s SER 841 Ca -0.01 -0.41 -0.28 0.00 0.48 0.00 0.00 55.95 55.72 1rrl s SER 841 Cb 0.13 -1.12 0.12 0.00 0.10 0.00 0.00 66.02 65.25 1rrl s SER 841 CO 0.69 -0.26 0.98 -0.55 0.98 0.00 0.00 173.24 175.09 1rrl s SER 842 N -3.95 -0.43 1.07 7.02 0.15 -1.26 -3.68 113.70 112.62 1rrl s SER 842 Ca 0.38 0.61 -0.17 0.00 0.70 0.00 0.00 55.95 57.47 1rrl s SER 842 Cb -0.07 0.55 0.24 0.00 -1.71 0.00 0.00 66.02 65.03 1rrl s SER 842 CO 0.26 -0.29 1.20 -0.54 1.20 0.00 0.00 173.24 175.07 1rrl s LYS 843 N -0.62 -0.23 1.15 5.44 3.01 -1.26 -5.05 119.74 122.19 1rrl s LYS 843 Ca -0.01 -0.17 -0.14 0.00 -1.01 0.00 0.00 55.97 54.64 1rrl s LYS 843 Cb -0.02 -1.72 0.27 0.00 -1.01 0.00 0.00 37.83 35.34 1rrl s LYS 843 CO -0.00 -3.03 1.05 -1.83 0.51 0.00 0.00 175.35 172.04 1rrl s GLU 844 N -5.59 -0.80 0.58 1.68 -1.05 -1.26 -4.88 118.70 107.39 1rrl s GLU 844 Ca 0.71 0.52 0.00 0.00 -0.15 0.00 0.00 54.97 56.05 1rrl s GLU 844 Cb -0.08 -1.59 0.00 0.00 -0.44 0.00 0.00 34.13 32.02 1rrl s GLU 844 CO 0.55 -3.56 0.00 0.41 0.95 0.00 0.00 175.26 173.61 1rrl n GLY 845 N 0.02 -1.79 2.94 -3.83 0.00 -0.34 -4.63 105.19 97.56 1rrl n GLY 845 Ca 0.05 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 1rrl n GLY 845 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1rrl n LEU 846 N 0.00 6.41 -4.80 0.99 7.94 -1.26 -1.38 117.00 124.90 1rrl n LEU 846 Ca 0.00 -4.19 -0.32 0.00 -1.11 0.00 0.00 56.01 50.39 1rrl n LEU 846 Cb 0.00 -1.65 -0.07 0.00 0.53 0.00 0.00 43.42 42.24 1rrl n LEU 846 CO 0.00 0.95 -0.24 0.42 -1.11 0.00 0.00 177.39 177.41 1rrl s THR 847 N 2.91 4.78 -0.71 1.96 -4.23 -1.26 -4.98 115.64 114.11 1rrl s THR 847 Ca 0.47 -0.45 -0.04 0.00 -1.18 0.00 0.00 61.69 60.49 1rrl s THR 847 Cb 0.11 -3.21 0.09 0.00 1.34 0.00 0.00 72.50 70.83 1rrl s THR 847 CO -0.04 0.30 2.62 0.33 -0.54 0.00 0.00 174.62 177.30 1rrl n PHE 848 N 1.01 1.94 -3.86 3.99 7.35 -1.26 -4.87 117.46 121.75 1rrl n PHE 848 Ca -0.12 -2.20 -0.05 0.00 -0.76 0.00 0.00 57.45 54.33 1rrl n PHE 848 Cb 0.52 -1.49 0.02 0.00 0.35 0.00 0.00 39.48 38.88 1rrl n PHE 848 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 1rrl s ARG 849 N -1.72 1.55 0.00 -4.13 1.70 -1.26 -3.01 118.95 112.08 1rrl s ARG 849 Ca 0.57 -1.00 0.00 0.00 -0.47 0.00 0.00 55.73 54.83 1rrl s ARG 849 Cb 0.33 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 35.15 1rrl s ARG 849 CO -0.20 -0.73 0.00 0.41 -1.08 0.00 0.00 175.30 173.71 1rrl n GLY 850 N -0.65 0.32 3.25 3.88 0.00 -0.57 -4.89 105.19 106.53 1rrl n GLY 850 Ca -0.04 -1.18 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 1rrl n GLY 850 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rrl s ILE 851 N -0.09 3.82 0.79 -0.61 1.01 -1.01 -4.92 121.20 120.18 1rrl s ILE 851 Ca 0.00 -1.33 -0.12 0.00 0.00 0.00 0.00 60.65 59.20 1rrl s ILE 851 Cb 0.00 -3.27 0.07 0.00 0.01 0.00 0.00 42.46 39.27 1rrl s ILE 851 CO 0.00 -0.33 1.14 -2.84 0.00 0.00 0.00 174.94 172.91 1rrl s PRO 852 N 1.37 1.94 0.40 2.79 0.02 -1.26 -1.83 135.00 138.44 1rrl s PRO 852 Ca 0.01 1.46 0.08 0.00 0.02 0.00 0.00 61.00 62.57 1rrl s PRO 852 Cb -0.21 -1.84 0.84 0.00 0.02 0.00 0.00 34.50 33.31 1rrl s PRO 852 CO 0.02 -1.92 2.00 -0.91 -0.33 0.00 0.00 177.00 175.86 1rrl h ASN 853 N -0.97 0.37 -3.22 2.53 2.35 -1.73 -3.40 115.58 111.52 1rrl h ASN 853 Ca -0.45 -0.03 -0.19 0.00 -0.55 0.00 0.00 56.30 55.08 1rrl h ASN 853 Cb 1.26 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 39.49 1rrl h ASN 853 CO 0.48 0.35 -0.16 -1.54 -1.65 0.00 0.00 177.43 174.92 1rrl n SER 854 N -4.40 0.66 -4.36 5.81 3.41 -1.25 -3.64 113.62 109.84 1rrl n SER 854 Ca 0.01 -1.76 -0.46 0.00 -0.26 0.00 0.00 58.87 56.40 1rrl n SER 854 Cb 0.14 0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 1rrl n SER 854 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1rrl s ILE 855 N -2.19 5.29 -1.15 -1.33 1.01 -1.07 -4.63 121.20 117.12 1rrl s ILE 855 Ca 0.09 -2.00 0.18 0.00 0.00 0.00 0.00 60.65 58.92 1rrl s ILE 855 Cb 0.00 -4.52 -0.12 0.00 0.01 0.00 0.00 42.46 37.83 1rrl s ILE 855 CO 0.07 -1.12 0.81 -1.54 0.00 0.00 0.00 174.94 173.15 1rrl n SER 856 N 4.94 1.19 0.00 3.58 3.41 -1.26 -3.13 113.62 122.35 1rrl n SER 856 Ca 0.10 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 1rrl n SER 856 Cb 0.46 0.79 0.00 0.00 -0.26 0.00 0.00 64.21 65.20 1rrl n SER 856 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88