#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 2.09 0.08 -0.13 0.00 -1.26 -4.63 107.32 103.47 1rrl s GLY 9 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 44.72 44.87 1rrl s GLY 9 CO 0.00 0.35 -0.12 -1.58 0.00 0.00 0.00 173.10 171.76 1rrl s HIS 10 N -2.47 1.08 -0.26 1.90 2.46 -1.22 -5.06 115.29 111.73 1rrl s HIS 10 Ca 0.57 -0.55 -0.10 0.00 0.47 0.00 0.00 55.06 55.45 1rrl s HIS 10 Cb -0.10 -0.60 -0.05 0.00 -0.13 0.00 0.00 32.58 31.70 1rrl s HIS 10 CO 0.28 0.02 0.16 0.15 -2.47 0.00 0.00 174.74 172.88 1rrl s LYS 11 N -2.19 3.92 -0.02 2.88 1.02 -1.26 -2.71 119.74 121.38 1rrl s LYS 11 Ca 0.00 -0.34 -0.30 0.00 0.02 0.00 0.00 55.97 55.36 1rrl s LYS 11 Cb -0.07 -3.56 -0.05 0.00 -0.52 0.00 0.00 37.83 33.63 1rrl s LYS 11 CO 0.01 -0.12 1.37 0.42 -0.92 0.00 0.00 175.35 176.11 1rrl s ILE 12 N 1.55 3.82 -0.15 2.17 1.01 0.18 -4.91 121.20 124.87 1rrl s ILE 12 Ca 0.07 1.18 -0.24 0.00 0.00 0.00 0.00 60.65 61.66 1rrl s ILE 12 Cb -0.15 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 1rrl s ILE 12 CO 0.08 -0.01 0.75 -0.75 0.00 0.00 0.00 174.94 175.02 1rrl s LYS 13 N 2.44 4.31 0.05 2.79 2.20 -0.52 -1.71 119.74 129.29 1rrl s LYS 13 Ca 0.62 0.89 0.08 0.00 -0.36 0.00 0.00 55.97 57.20 1rrl s LYS 13 Cb -0.30 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.45 1rrl s LYS 13 CO 0.25 -0.22 -0.22 0.20 -0.36 0.00 0.00 175.35 175.00 1rrl s GLY 14 N 1.09 1.21 -0.14 5.54 0.00 -0.65 0.64 107.32 115.01 1rrl s GLY 14 Ca 0.36 -1.14 -0.01 0.00 0.00 0.00 0.00 44.72 43.93 1rrl s GLY 14 CO 0.13 -1.06 -0.04 -1.59 0.00 0.00 0.00 173.10 170.55 1rrl s THR 15 N -0.84 0.90 -0.16 0.90 2.01 0.55 -1.64 115.64 117.37 1rrl s THR 15 Ca 0.09 -0.44 -0.05 0.00 0.31 0.00 0.00 61.69 61.60 1rrl s THR 15 Cb -0.09 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 1rrl s THR 15 CO 0.02 0.15 0.02 -0.69 -0.69 0.00 0.00 174.62 173.43 1rrl s VAL 16 N 1.73 4.45 -0.17 3.82 1.01 0.25 -0.33 120.40 131.17 1rrl s VAL 16 Ca 0.02 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1rrl s VAL 16 Cb -0.15 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.28 1rrl s VAL 16 CO -0.07 0.50 -0.18 -0.69 0.00 0.00 0.00 175.10 174.66 1rrl s VAL 17 N 0.11 2.35 0.31 2.92 1.01 -0.55 -1.46 120.40 125.09 1rrl s VAL 17 Ca 0.03 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.18 1rrl s VAL 17 Cb -0.13 -1.99 -0.06 0.00 0.00 0.00 0.00 36.38 34.21 1rrl s VAL 17 CO 0.01 0.52 0.07 -1.48 0.00 0.00 0.00 175.10 174.23 1rrl s LEU 18 N 1.08 2.02 -0.03 3.92 0.05 -0.59 -0.60 118.68 124.53 1rrl s LEU 18 Ca -0.00 -1.40 0.06 0.00 0.05 0.00 0.00 54.13 52.84 1rrl s LEU 18 Cb -0.14 -0.25 -0.01 0.00 -2.05 0.00 0.00 46.19 43.73 1rrl s LEU 18 CO -0.06 -0.66 -0.22 -0.04 -0.55 0.00 0.00 176.35 174.82 1rrl s MET 19 N -3.92 1.91 0.71 1.48 -1.94 0.24 -0.72 119.30 117.05 1rrl s MET 19 Ca 0.36 -0.77 -0.15 0.00 -1.71 0.00 0.00 55.69 53.42 1rrl s MET 19 Cb 0.08 -1.76 0.03 0.00 2.01 0.00 0.00 34.83 35.19 1rrl s MET 19 CO 0.15 0.42 1.21 1.03 -0.01 0.00 0.00 175.02 177.82 1rrl s ARG 20 N -0.36 2.24 0.10 2.03 0.52 -1.26 -1.60 118.95 120.62 1rrl s ARG 20 Ca 0.04 1.77 -0.15 0.00 -0.52 0.00 0.00 55.73 56.87 1rrl s ARG 20 Cb -0.10 -1.84 -0.06 0.00 0.52 0.00 0.00 34.95 33.46 1rrl s ARG 20 CO 0.00 -1.76 1.47 -0.22 0.02 0.00 0.00 175.30 174.81 1rrl h LYS 21 N -0.16 0.69 -0.40 3.54 3.64 -1.96 -2.94 116.57 118.98 1rrl h LYS 21 Ca -0.48 -0.31 0.12 0.00 -1.27 0.00 0.00 60.65 58.71 1rrl h LYS 21 Cb 1.30 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.09 1rrl h LYS 21 CO 0.50 0.91 0.40 -0.91 -2.27 0.00 0.00 179.45 178.08 1rrl h ASN 22 N 0.45 0.00 1.46 4.20 2.35 -1.92 0.85 115.58 122.98 1rrl h ASN 22 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1rrl h ASN 22 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 1rrl h ASN 22 CO 0.05 0.00 -0.10 1.62 -1.65 0.00 0.00 177.43 177.35 1rrl h VAL 23 N 0.00 0.00 0.00 2.81 3.04 -1.89 -3.35 116.25 116.86 1rrl h VAL 23 Ca 0.19 -0.56 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 1rrl h VAL 23 Cb 0.99 1.50 0.00 0.00 -2.01 0.00 0.00 31.29 31.76 1rrl h VAL 23 CO -0.00 0.00 -0.46 0.18 -1.01 0.00 0.00 177.57 176.28 1rrl n LEU 24 N -2.37 0.00 -4.81 3.16 7.99 0.25 -4.29 117.00 116.93 1rrl n LEU 24 Ca 0.05 -0.23 -0.38 0.00 -0.01 0.00 0.00 56.01 55.45 1rrl n LEU 24 Cb 0.45 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.70 1rrl n LEU 24 CO 0.32 0.00 0.10 -0.62 -1.51 0.00 0.00 177.39 175.67 1rrl s ASP 25 N -1.37 6.75 0.21 -1.43 2.15 0.13 -1.77 116.67 121.34 1rrl s ASP 25 Ca 0.00 0.89 -0.10 0.00 0.43 0.00 0.00 52.55 53.77 1rrl s ASP 25 Cb 0.00 -2.25 0.29 0.00 -0.30 0.00 0.00 42.92 40.66 1rrl s ASP 25 CO 0.00 0.26 1.71 1.62 -0.17 0.00 0.00 175.17 178.59 1rrl h VAL 26 N 3.93 0.66 -0.42 1.11 3.04 -1.89 0.29 116.25 122.96 1rrl h VAL 26 Ca -0.49 -0.09 -0.05 0.00 -1.01 0.00 0.00 66.70 65.05 1rrl h VAL 26 Cb 1.21 0.36 -0.02 0.00 -2.01 0.00 0.00 31.29 30.83 1rrl h VAL 26 CO 0.64 0.05 0.04 0.78 -1.01 0.00 0.00 177.57 178.08 1rrl h ASN 27 N 0.27 0.62 0.28 3.17 2.35 -1.96 0.38 115.58 120.70 1rrl h ASN 27 Ca 0.31 -0.12 -0.33 0.00 -0.55 0.00 0.00 56.30 55.62 1rrl h ASN 27 Cb 0.46 -0.16 -0.06 0.00 0.05 0.00 0.00 38.32 38.61 1rrl h ASN 27 CO -0.39 0.66 -1.99 -1.54 -1.65 0.00 0.00 177.43 172.53 1rrl n SER 28 N -4.27 0.73 0.00 5.81 3.41 -1.05 -3.37 113.62 114.87 1rrl n SER 28 Ca 0.02 0.24 0.09 0.00 -0.26 0.00 0.00 58.87 58.96 1rrl n SER 28 Cb 0.25 0.21 0.46 0.00 -0.26 0.00 0.00 64.21 64.86 1rrl n SER 28 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1rrl n VAL 29 N -2.99 0.39 -1.91 -3.33 3.14 0.98 -4.24 118.33 110.37 1rrl n VAL 29 Ca -0.24 0.10 -0.37 0.00 -2.96 0.00 0.00 64.34 60.87 1rrl n VAL 29 Cb 1.08 -0.81 -0.04 0.00 -1.06 0.00 0.00 33.84 33.01 1rrl n VAL 29 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1rrl n THR 30 N -1.23 2.48 0.00 1.55 -1.04 0.13 -4.38 114.28 111.80 1rrl n THR 30 Ca 0.09 -2.45 0.00 0.00 -2.04 0.00 0.00 64.05 59.66 1rrl n THR 30 Cb 0.12 -2.29 0.00 0.00 -1.82 0.00 0.00 70.33 66.34 1rrl n THR 30 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1rrl n SER 31 N 10.50 0.00 -4.24 8.00 7.64 -1.26 -5.04 113.62 129.21 1rrl n SER 31 Ca 0.48 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 60.18 1rrl n SER 31 Cb 0.44 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.53 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 4.10 1.31 0.05 0.44 1.01 -1.26 -4.86 120.40 121.19 1rrl s VAL 32 Ca 0.00 -1.79 0.08 0.00 0.00 0.00 0.00 61.98 60.27 1rrl s VAL 32 Cb 0.00 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1rrl s VAL 32 CO 0.00 -0.48 -0.23 -0.83 0.00 0.00 0.00 175.10 173.56 1rrl s GLY 33 N -2.61 1.49 0.00 4.51 0.00 -1.26 -4.81 107.32 104.65 1rrl s GLY 33 Ca 0.11 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.58 1rrl s GLY 33 CO 0.03 -1.14 0.00 0.61 0.00 0.00 0.00 173.10 172.60 1rrl n GLY 34 N 1.63 0.00 2.74 0.20 0.00 -1.26 -3.72 105.19 104.78 1rrl n GLY 34 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 1rrl n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rrl s ILE 35 N -0.20 -0.25 0.03 -0.61 1.01 -1.26 -5.15 121.20 114.77 1rrl s ILE 35 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.64 1rrl s ILE 35 Cb 0.00 -0.54 -0.02 0.00 0.01 0.00 0.00 42.46 41.91 1rrl s ILE 35 CO 0.00 -0.13 -0.01 -0.51 0.00 0.00 0.00 174.94 174.30 1rrl s ILE 36 N 2.27 0.13 0.00 2.92 1.10 -1.26 -4.71 121.20 121.65 1rrl s ILE 36 Ca 0.05 -1.08 0.00 0.00 -0.51 0.00 0.00 60.65 59.11 1rrl s ILE 36 Cb -0.15 -0.57 0.00 0.00 0.15 0.00 0.00 42.46 41.89 1rrl s ILE 36 CO -0.09 -0.59 0.00 0.61 -2.11 0.00 0.00 174.94 172.75 1rrl n GLY 37 N 1.23 1.57 0.00 1.50 0.00 -1.26 -5.07 105.19 103.15 1rrl n GLY 37 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 0.00 0.00 1.61 3.00 -1.26 -4.74 117.38 115.99 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 -0.17 1.96 1.08 0.00 -1.26 -3.61 105.19 103.19 1rrl n GLY 39 Ca 0.00 -1.67 -0.06 0.00 0.00 0.00 0.00 46.02 44.29 1rrl n GLY 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rrl n LEU 40 N 0.00 3.88 -0.73 0.99 4.77 -1.26 -4.66 117.00 119.99 1rrl n LEU 40 Ca 0.00 -2.24 0.00 0.00 -0.03 0.00 0.00 56.01 53.74 1rrl n LEU 40 Cb 0.00 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1rrl n LEU 40 CO 0.00 0.99 0.00 0.47 -1.33 0.00 0.00 177.39 177.52 1rrl n ASP 41 N 2.30 0.00 -0.96 -1.43 9.92 -1.26 -3.53 116.55 121.59 1rrl n ASP 41 Ca 0.21 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.34 1rrl n ASP 41 Cb 0.57 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.03 1rrl n ASP 41 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1rrl n LEU 42 N 0.11 0.16 0.33 0.64 4.32 -1.24 -4.50 117.00 116.82 1rrl n LEU 42 Ca 0.00 0.15 0.23 0.00 -0.02 0.00 0.00 56.01 56.36 1rrl n LEU 42 Cb 0.00 -0.20 1.20 0.00 -1.62 0.00 0.00 43.42 42.80 1rrl n LEU 42 CO 0.00 -0.17 1.17 0.58 -1.22 0.00 0.00 177.39 177.75 1rrl h VAL 43 N 1.58 0.00 0.00 4.08 2.07 -1.71 -3.15 116.25 119.12 1rrl h VAL 43 Ca -0.02 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1rrl h VAL 43 Cb 0.32 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1rrl h VAL 43 CO 0.25 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.45 1rrl n GLY 44 N -1.07 2.12 1.53 2.17 0.00 -0.65 -4.31 105.19 104.98 1rrl n GLY 44 Ca -0.03 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1rrl n GLY 44 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rrl n SER 45 N 10.73 0.00 -4.65 1.61 2.88 -1.26 -4.56 113.62 118.37 1rrl n SER 45 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1rrl n SER 45 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1rrl n SER 45 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1rrl n THR 46 N 0.00 2.07 -2.37 2.46 -1.04 -1.26 -3.75 114.28 110.39 1rrl n THR 46 Ca 0.00 -0.50 -0.01 0.00 -2.04 0.00 0.00 64.05 61.50 1rrl n THR 46 Cb 0.00 -1.31 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 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 0.89 -6.24 -3.01 -4.42 7.94 -1.26 -4.83 117.00 106.06 1rrl n LEU 47 Ca 0.07 0.91 -0.12 0.00 -1.11 0.00 0.00 56.01 55.76 1rrl n LEU 47 Cb 0.35 -2.67 -0.02 0.00 0.53 0.00 0.00 43.42 41.62 1rrl n LEU 47 CO 0.61 -2.17 1.70 -0.67 -1.11 0.00 0.00 177.39 175.74 1rrl n ASP 48 N 0.35 2.79 -0.19 1.96 4.64 -1.25 -3.86 116.55 121.00 1rrl n ASP 48 Ca 0.01 -2.15 0.02 0.00 -1.38 0.00 0.00 54.79 51.30 1rrl n ASP 48 Cb 0.06 -0.81 0.04 0.00 -1.04 0.00 0.00 41.12 39.36 1rrl n ASP 48 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1rrl n THR 49 N 4.33 0.52 0.09 5.18 -2.24 -1.26 -4.29 114.28 116.60 1rrl n THR 49 Ca 0.25 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1rrl n THR 49 Cb 0.10 0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 69.08 1rrl n THR 49 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1rrl h LEU 50 N 0.74 0.00 -1.60 3.22 -0.00 -1.83 -3.03 115.31 112.81 1rrl h LEU 50 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.90 1rrl h LEU 50 Cb 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.04 1rrl h LEU 50 CO 0.00 0.61 0.49 0.00 -0.00 0.00 0.00 178.44 179.54 1rrl h THR 51 N 0.00 0.04 -0.00 0.22 1.03 -1.91 0.59 112.91 112.88 1rrl h THR 51 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.33 1rrl h THR 51 Cb 1.52 0.52 0.00 0.00 -1.07 0.00 0.00 68.15 69.12 1rrl h THR 51 CO 0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 175.52 175.48 1rrl n ALA 52 N -1.87 2.63 0.77 0.00 0.00 -1.14 -2.39 120.51 118.52 1rrl n ALA 52 Ca -0.00 -0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.37 1rrl n ALA 52 Cb 0.55 -1.40 0.29 0.00 0.00 0.00 0.00 19.45 18.89 1rrl n ALA 52 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1rrl n PHE 53 N -1.34 0.37 -1.74 0.00 3.01 0.20 -4.59 117.46 113.38 1rrl n PHE 53 Ca 0.10 -0.19 -0.11 0.00 1.01 0.00 0.00 57.45 58.27 1rrl n PHE 53 Cb 0.30 0.00 0.12 0.00 -0.01 0.00 0.00 39.48 39.89 1rrl n PHE 53 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1rrl n LEU 54 N 0.88 4.16 0.00 4.37 7.94 -1.00 -4.24 117.00 129.10 1rrl n LEU 54 Ca 0.17 -4.27 0.00 0.00 -1.11 0.00 0.00 56.01 50.81 1rrl n LEU 54 Cb 0.45 -0.49 0.00 0.00 0.53 0.00 0.00 43.42 43.91 1rrl n LEU 54 CO 0.14 1.69 0.00 0.61 -1.11 0.00 0.00 177.39 178.72 1rrl n GLY 55 N -0.94 2.00 2.65 -3.96 0.00 -1.26 -4.90 105.19 98.78 1rrl n GLY 55 Ca 0.34 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 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 4.66 -0.10 1.61 5.12 -1.26 -4.66 116.66 122.03 1rrl n ARG 56 Ca 0.00 -4.10 -0.23 0.00 -1.93 0.00 0.00 57.85 51.58 1rrl n ARG 56 Cb 0.00 -2.45 -0.12 0.00 -1.16 0.00 0.00 32.46 28.73 1rrl n ARG 56 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1rrl n SER 57 N 0.27 1.98 -3.93 0.55 7.64 -1.26 -4.85 113.62 114.01 1rrl n SER 57 Ca 0.51 0.21 -0.19 0.00 1.01 0.00 0.00 58.87 60.41 1rrl n SER 57 Cb 0.27 -0.76 -0.16 0.00 -1.01 0.00 0.00 64.21 62.55 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 -2.49 0.55 0.05 0.44 1.01 -1.26 -0.22 120.40 118.48 1rrl s VAL 58 Ca -0.32 -0.19 0.09 0.00 0.00 0.00 0.00 61.98 61.56 1rrl s VAL 58 Cb 0.09 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 1rrl s VAL 58 CO 0.60 0.21 -0.24 -0.94 0.00 0.00 0.00 175.10 174.73 1rrl s SER 59 N 0.56 3.36 0.04 3.32 1.04 -0.64 -2.65 113.70 118.72 1rrl s SER 59 Ca -0.07 -0.55 0.08 0.00 0.48 0.00 0.00 55.95 55.88 1rrl s SER 59 Cb -0.11 -0.38 -0.03 0.00 0.10 0.00 0.00 66.02 65.61 1rrl s SER 59 CO 0.00 0.25 -0.22 -0.76 0.98 0.00 0.00 173.24 173.50 1rrl s LEU 60 N -1.34 2.15 -0.15 2.42 1.02 0.47 -1.52 118.68 121.74 1rrl s LEU 60 Ca 0.13 -0.53 -0.05 0.00 0.02 0.00 0.00 54.13 53.71 1rrl s LEU 60 Cb -0.10 -1.06 0.06 0.00 0.02 0.00 0.00 46.19 45.11 1rrl s LEU 60 CO 0.03 0.19 0.10 -1.58 0.02 0.00 0.00 176.35 175.11 1rrl s GLN 61 N -1.13 0.05 0.56 1.70 0.74 0.15 -1.34 119.66 120.39 1rrl s GLN 61 Ca 0.09 0.01 -0.19 0.00 0.05 0.00 0.00 55.36 55.32 1rrl s GLN 61 Cb -0.09 -1.59 -0.05 0.00 1.10 0.00 0.00 33.01 32.38 1rrl s GLN 61 CO 0.02 -0.62 1.14 -0.51 -0.55 0.00 0.00 175.29 174.76 1rrl s LEU 62 N 2.16 3.70 -0.05 3.68 1.43 -1.26 -0.18 118.68 128.16 1rrl s LEU 62 Ca 0.03 2.18 0.02 0.00 -1.03 0.00 0.00 54.13 55.33 1rrl s LEU 62 Cb -0.15 -4.58 0.01 0.00 0.03 0.00 0.00 46.19 41.50 1rrl s LEU 62 CO -0.08 -1.30 -0.10 -0.63 0.23 0.00 0.00 176.35 174.46 1rrl s ILE 63 N -1.81 0.97 0.27 -0.59 1.01 0.52 -0.67 121.20 120.92 1rrl s ILE 63 Ca 0.73 -0.40 -0.18 0.00 0.00 0.00 0.00 60.65 60.79 1rrl s ILE 63 Cb -0.24 -0.90 -0.09 0.00 0.01 0.00 0.00 42.46 41.24 1rrl s ILE 63 CO 0.29 0.31 0.75 -0.55 0.00 0.00 0.00 174.94 175.74 1rrl s SER 64 N 0.60 6.96 0.00 3.58 0.15 -0.68 -1.97 113.70 122.34 1rrl s SER 64 Ca -0.12 1.40 0.18 0.00 0.70 0.00 0.00 55.95 58.11 1rrl s SER 64 Cb -0.14 -2.42 -0.15 0.00 -1.71 0.00 0.00 66.02 61.60 1rrl s SER 64 CO 0.02 -0.08 0.78 0.00 1.20 0.00 0.00 173.24 175.17 1rrl n ALA 65 N 0.25 4.10 0.06 5.45 0.00 0.16 -4.09 120.51 126.45 1rrl n ALA 65 Ca 0.01 -0.51 0.01 0.00 0.00 0.00 0.00 53.44 52.94 1rrl n ALA 65 Cb 0.52 -0.64 -0.00 0.00 0.00 0.00 0.00 19.45 19.33 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 -1.15 0.00 -3.75 0.00 -2.24 -1.24 -4.45 114.28 101.45 1rrl n THR 66 Ca 0.04 -0.48 -0.22 0.00 -2.27 0.00 0.00 64.05 61.12 1rrl n THR 66 Cb 0.30 1.01 -0.18 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.78 0.40 0.14 -0.78 3.01 -1.26 -4.94 119.74 115.53 1rrl s LYS 67 Ca 0.01 0.19 0.05 0.00 -1.01 0.00 0.00 55.97 55.20 1rrl s LYS 67 Cb 0.01 -0.82 -0.04 0.00 -1.01 0.00 0.00 37.83 35.97 1rrl s LYS 67 CO 0.04 -0.31 0.11 0.00 0.51 0.00 0.00 175.35 175.70 1rrl s ALA 68 N 2.00 3.53 1.02 5.17 0.00 -1.26 -0.23 121.76 132.00 1rrl s ALA 68 Ca 0.05 -1.17 -0.05 0.00 0.00 0.00 0.00 51.96 50.79 1rrl s ALA 68 Cb -0.12 -1.35 0.07 0.00 0.00 0.00 0.00 23.12 21.72 1rrl s ALA 68 CO -0.04 0.57 0.35 -0.40 0.00 0.00 0.00 175.76 176.24 1rrl n ASP 69 N -0.08 -0.45 -0.35 0.00 5.68 -0.23 -4.84 116.55 116.28 1rrl n ASP 69 Ca -0.09 -0.98 -0.00 0.00 -0.50 0.00 0.00 54.79 53.22 1rrl n ASP 69 Cb 0.54 -0.29 0.15 0.00 -1.14 0.00 0.00 41.12 40.38 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 -2.04 1.34 -0.48 2.12 0.00 -2.01 -2.60 119.26 115.59 1rrl h ALA 70 Ca -0.12 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1rrl h ALA 70 Cb 0.34 -0.37 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1rrl h ALA 70 CO 0.08 0.59 0.12 0.09 0.00 0.00 0.00 179.25 180.13 1rrl n ASN 71 N -4.41 4.08 0.00 0.00 3.02 -1.26 -4.93 115.26 111.75 1rrl n ASN 71 Ca 0.12 -2.77 0.00 0.00 -0.03 0.00 0.00 54.58 51.90 1rrl n ASN 71 Cb 0.06 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 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 0.14 1.83 3.85 7.41 0.00 -0.98 -5.04 105.19 112.39 1rrl n GLY 72 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.22 3.94 0.23 1.61 1.02 -1.26 -3.86 119.74 121.20 1rrl s LYS 73 Ca 0.00 0.44 -0.28 0.00 0.02 0.00 0.00 55.97 56.15 1rrl s LYS 73 Cb 0.00 -2.89 -0.16 0.00 -0.52 0.00 0.00 37.83 34.26 1rrl s LYS 73 CO 0.00 0.46 0.66 0.41 -0.92 0.00 0.00 175.35 175.96 1rrl n GLY 74 N 0.66 -1.32 3.77 -3.33 0.00 0.52 -1.07 105.19 104.41 1rrl n GLY 74 Ca -0.05 0.33 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.16 2.26 -0.04 1.61 1.02 0.69 -4.67 119.74 119.45 1rrl s LYS 75 Ca 0.62 1.18 -0.01 0.00 0.02 0.00 0.00 55.97 57.78 1rrl s LYS 75 Cb -0.86 -1.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.52 1rrl s LYS 75 CO 0.57 -1.64 0.03 -0.51 -0.92 0.00 0.00 175.35 172.88 1rrl s LEU 76 N -5.90 3.70 0.79 3.17 1.43 -1.26 -1.69 118.68 118.92 1rrl s LEU 76 Ca 0.61 0.12 -0.05 0.00 -1.03 0.00 0.00 54.13 53.78 1rrl s LEU 76 Cb -0.17 -2.01 0.15 0.00 0.03 0.00 0.00 46.19 44.18 1rrl s LEU 76 CO 0.56 0.32 1.09 -0.83 0.23 0.00 0.00 176.35 177.71 1rrl s GLY 77 N -1.32 1.76 -0.23 -3.19 0.00 0.16 -4.98 107.32 99.52 1rrl s GLY 77 Ca 0.18 -1.56 -0.10 0.00 0.00 0.00 0.00 44.72 43.24 1rrl s GLY 77 CO 0.08 -0.94 0.15 0.54 0.00 0.00 0.00 173.10 172.93 1rrl s LYS 78 N -5.35 4.08 0.01 2.90 3.01 -1.26 -4.70 119.74 118.42 1rrl s LYS 78 Ca 0.68 -0.27 -0.34 0.00 -1.01 0.00 0.00 55.97 55.03 1rrl s LYS 78 Cb -0.05 -3.50 -0.13 0.00 -1.01 0.00 0.00 37.83 33.14 1rrl s LYS 78 CO 0.47 0.11 1.75 0.00 0.51 0.00 0.00 175.35 178.18 1rrl n ALA 79 N 4.14 0.98 -2.59 5.17 0.00 -1.26 -4.78 120.51 122.16 1rrl n ALA 79 Ca -0.15 0.36 -0.21 0.00 0.00 0.00 0.00 53.44 53.43 1rrl n ALA 79 Cb 0.52 -2.42 -0.15 0.00 0.00 0.00 0.00 19.45 17.40 1rrl n ALA 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rrl s THR 80 N 2.74 1.05 0.12 0.00 2.01 -0.45 -4.93 115.64 116.19 1rrl s THR 80 Ca 0.87 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 62.28 1rrl s THR 80 Cb -0.70 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 1rrl s THR 80 CO 0.47 0.26 0.24 -0.36 -0.69 0.00 0.00 174.62 174.54 1rrl s PHE 81 N -0.37 3.46 0.17 4.92 0.40 -1.26 -0.39 117.98 124.89 1rrl s PHE 81 Ca 0.05 0.14 -0.33 0.00 -0.60 0.00 0.00 56.93 56.19 1rrl s PHE 81 Cb -0.05 -1.68 -0.16 0.00 0.51 0.00 0.00 43.02 41.64 1rrl s PHE 81 CO -0.00 0.54 1.15 1.28 0.70 0.00 0.00 175.22 178.88 1rrl n LEU 82 N -0.27 1.41 -0.02 -0.37 4.77 -1.08 -4.81 117.00 116.63 1rrl n LEU 82 Ca -0.07 1.14 -0.02 0.00 -0.03 0.00 0.00 56.01 57.04 1rrl n LEU 82 Cb 0.53 -1.20 -0.03 0.00 -2.33 0.00 0.00 43.42 40.39 1rrl n LEU 82 CO 0.49 -1.36 -0.62 1.21 -1.33 0.00 0.00 177.39 175.79 1rrl n GLU 83 N 1.73 3.36 -3.64 3.23 2.13 -0.08 -4.55 120.64 122.82 1rrl n GLU 83 Ca 0.15 -0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.88 1rrl n GLU 83 Cb 0.24 -1.09 -0.02 0.00 0.27 0.00 0.00 31.44 30.84 1rrl n GLU 83 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1rrl s GLY 84 N -3.42 -0.35 -0.15 8.31 0.00 -1.09 -5.00 107.32 105.60 1rrl s GLY 84 Ca -0.02 0.09 -0.17 0.00 0.00 0.00 0.00 44.72 44.62 1rrl s GLY 84 CO 0.15 0.03 0.43 -0.42 0.00 0.00 0.00 173.10 173.29 1rrl s ILE 85 N -3.84 5.20 -0.37 0.90 1.01 -1.26 -1.65 121.20 121.19 1rrl s ILE 85 Ca 0.06 0.82 -0.18 0.00 0.00 0.00 0.00 60.65 61.35 1rrl s ILE 85 Cb -0.03 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.67 1rrl s ILE 85 CO -0.03 0.30 0.52 -0.63 0.00 0.00 0.00 174.94 175.10 1rrl s ILE 86 N 0.87 5.00 0.01 2.92 1.01 0.61 -4.88 121.20 126.74 1rrl s ILE 86 Ca 0.22 0.21 -0.24 0.00 0.00 0.00 0.00 60.65 60.84 1rrl s ILE 86 Cb -0.15 -4.01 -0.18 0.00 0.01 0.00 0.00 42.46 38.14 1rrl s ILE 86 CO 0.08 -0.30 1.33 0.00 0.00 0.00 0.00 174.94 176.05 1rrl h THR 87 N 5.67 1.35 -3.77 2.92 1.03 -1.82 -3.31 112.91 114.97 1rrl h THR 87 Ca -0.27 -1.13 -0.25 0.00 -0.01 0.00 0.00 66.41 64.75 1rrl h THR 87 Cb 1.12 1.98 -0.28 0.00 -1.07 0.00 0.00 68.15 69.90 1rrl h THR 87 CO 0.79 0.31 -0.73 -0.55 -0.01 0.00 0.00 175.52 175.33 1rrl s SER 88 N -5.81 0.14 -0.09 0.00 0.15 -1.26 -4.62 113.70 102.20 1rrl s SER 88 Ca -0.15 -0.04 -0.10 0.00 0.70 0.00 0.00 55.95 56.36 1rrl s SER 88 Cb 0.03 -0.01 0.03 0.00 -1.71 0.00 0.00 66.02 64.36 1rrl s SER 88 CO 0.70 0.00 0.28 -0.76 1.20 0.00 0.00 173.24 174.66 1rrl s LEU 89 N -0.07 0.96 0.54 3.45 1.43 -1.26 -5.03 118.68 118.69 1rrl s LEU 89 Ca -0.00 0.49 0.24 0.00 -1.03 0.00 0.00 54.13 53.83 1rrl s LEU 89 Cb -0.01 0.97 1.42 0.00 0.03 0.00 0.00 46.19 48.60 1rrl s LEU 89 CO -0.00 -0.14 2.04 -0.65 0.23 0.00 0.00 176.35 177.84 1rrl h PRO 90 N 5.50 0.00 -0.32 1.29 0.11 -2.05 0.56 132.00 137.09 1rrl h PRO 90 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1rrl h PRO 90 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1rrl h PRO 90 CO 0.34 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.38 1rrl n THR 91 N -4.28 0.58 -1.85 -1.15 -2.24 -1.26 -4.98 114.28 99.10 1rrl n THR 91 Ca 0.06 -0.79 -0.43 0.00 -2.27 0.00 0.00 64.05 60.62 1rrl n THR 91 Cb 0.45 0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 69.51 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 -1.17 3.47 0.00 3.22 2.96 0.19 -4.96 118.68 122.38 1rrl s LEU 92 Ca 0.29 1.47 -0.13 0.00 -0.22 0.00 0.00 54.13 55.54 1rrl s LEU 92 Cb 0.17 -3.46 0.18 0.00 0.50 0.00 0.00 46.19 43.58 1rrl s LEU 92 CO 0.23 -1.85 1.09 0.61 -1.32 0.00 0.00 176.35 175.11 1rrl n GLY 93 N 5.56 -1.26 3.77 7.98 0.00 -1.26 -4.89 105.19 115.08 1rrl n GLY 93 Ca 0.26 -1.73 -0.39 0.00 0.00 0.00 0.00 46.02 44.16 1rrl n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rrl s ALA 94 N -3.90 3.26 -0.17 4.61 0.00 -1.26 -3.16 121.76 121.14 1rrl s ALA 94 Ca 0.63 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1rrl s ALA 94 Cb -0.02 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1rrl s ALA 94 CO 0.44 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.43 1rrl n GLY 95 N 0.82 0.44 3.85 0.00 0.00 -1.26 -4.78 105.19 104.26 1rrl n GLY 95 Ca 0.02 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.17 3.01 0.01 1.61 -0.21 -1.19 -4.34 119.66 117.38 1rrl s GLN 96 Ca 0.00 -1.00 0.00 0.00 0.02 0.00 0.00 55.36 54.39 1rrl s GLN 96 Cb 0.00 -2.62 -0.01 0.00 1.00 0.00 0.00 33.01 31.38 1rrl s GLN 96 CO 0.00 0.41 -0.02 -1.12 -2.12 0.00 0.00 175.29 172.44 1rrl s SER 97 N -3.83 0.20 -0.01 5.90 0.01 0.10 -1.63 113.70 114.44 1rrl s SER 97 Ca 0.33 -0.21 0.06 0.00 1.31 0.00 0.00 55.95 57.44 1rrl s SER 97 Cb -0.08 0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 1rrl s SER 97 CO 0.26 -0.11 -0.20 0.00 0.41 0.00 0.00 173.24 173.60 1rrl s ALA 98 N -0.59 1.63 -0.00 1.44 0.00 -1.25 -1.54 121.76 121.45 1rrl s ALA 98 Ca -0.06 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.06 1rrl s ALA 98 Cb -0.04 -0.40 -0.00 0.00 0.00 0.00 0.00 23.12 22.67 1rrl s ALA 98 CO -0.00 0.40 -0.05 -0.06 0.00 0.00 0.00 175.76 176.04 1rrl s PHE 99 N -0.49 0.46 0.02 0.00 0.08 -0.54 -0.28 117.98 117.24 1rrl s PHE 99 Ca 0.07 -0.09 -0.01 0.00 0.12 0.00 0.00 56.93 57.03 1rrl s PHE 99 Cb -0.08 -0.30 -0.04 0.00 -0.57 0.00 0.00 43.02 42.04 1rrl s PHE 99 CO -0.01 -0.01 0.15 -1.59 -0.10 0.00 0.00 175.22 173.67 1rrl s LYS 100 N -0.13 3.27 -0.28 0.44 -2.85 -0.66 -0.58 119.74 118.95 1rrl s LYS 100 Ca 0.02 -0.45 -0.13 0.00 -1.00 0.00 0.00 55.97 54.41 1rrl s LYS 100 Cb -0.02 -2.97 0.10 0.00 -2.06 0.00 0.00 37.83 32.88 1rrl s LYS 100 CO -0.00 0.63 0.65 -1.50 0.10 0.00 0.00 175.35 175.24 1rrl s ILE 101 N -1.36 -0.48 -0.22 3.79 2.07 -0.65 -0.91 121.20 123.44 1rrl s ILE 101 Ca 0.29 0.01 -0.06 0.00 -1.41 0.00 0.00 60.65 59.47 1rrl s ILE 101 Cb -0.13 -0.98 -0.03 0.00 0.13 0.00 0.00 42.46 41.46 1rrl s ILE 101 CO 0.21 0.00 0.04 0.20 -1.91 0.00 0.00 174.94 173.48 1rrl s ASN 102 N 2.25 5.04 -0.04 4.50 0.01 -1.26 -1.64 114.94 123.79 1rrl s ASN 102 Ca -0.08 -0.18 -0.07 0.00 -0.71 0.00 0.00 52.86 51.82 1rrl s ASN 102 Cb -0.09 -1.88 -0.04 0.00 0.41 0.00 0.00 41.25 39.65 1rrl s ASN 102 CO -0.19 0.03 0.22 -0.36 -1.51 0.00 0.00 177.10 175.29 1rrl s PHE 103 N 1.22 3.60 0.19 2.20 0.08 -0.69 -4.92 117.98 119.65 1rrl s PHE 103 Ca 0.04 0.56 -0.27 0.00 0.12 0.00 0.00 56.93 57.38 1rrl s PHE 103 Cb -0.15 -1.97 -0.08 0.00 -0.57 0.00 0.00 43.02 40.25 1rrl s PHE 103 CO 0.02 0.67 0.85 -1.21 -0.10 0.00 0.00 175.22 175.46 1rrl s GLU 104 N -1.45 4.69 0.31 0.44 2.02 -1.26 -0.65 118.70 122.81 1rrl s GLU 104 Ca 0.22 1.31 -0.09 0.00 0.02 0.00 0.00 54.97 56.43 1rrl s GLU 104 Cb -0.13 -3.28 0.04 0.00 0.10 0.00 0.00 34.13 30.86 1rrl s GLU 104 CO 0.12 0.52 0.57 1.87 0.02 0.00 0.00 175.26 178.36 1rrl n TRP 105 N 1.67 -1.87 0.00 1.61 -0.00 -1.10 -4.71 117.44 113.04 1rrl n TRP 105 Ca -0.04 -1.66 0.00 0.00 -0.00 0.00 0.00 57.50 55.81 1rrl n TRP 105 Cb 0.48 0.67 0.00 0.00 -0.00 0.00 0.00 31.31 32.46 1rrl n TRP 105 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1rrl n ASP 106 N -1.52 2.15 -2.45 5.87 5.68 -1.26 -3.37 116.55 121.65 1rrl n ASP 106 Ca -0.05 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 53.96 1rrl n ASP 106 Cb 0.49 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.48 1rrl n ASP 106 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1rrl n ASP 107 N 0.00 5.28 0.00 -1.12 8.00 -1.26 -4.66 116.55 122.79 1rrl n ASP 107 Ca 0.00 -3.75 0.00 0.00 0.71 0.00 0.00 54.79 51.75 1rrl n ASP 107 Cb 0.00 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 1rrl n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rrl n GLY 108 N -0.55 0.14 3.74 0.44 0.00 -1.26 -5.03 105.19 102.67 1rrl n GLY 108 Ca 0.43 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.96 1rrl n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rrl s SER 109 N -1.03 7.32 0.00 1.61 0.01 -1.26 -4.94 113.70 115.41 1rrl s SER 109 Ca 0.00 2.02 0.00 0.00 1.31 0.00 0.00 55.95 59.28 1rrl s SER 109 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1rrl s SER 109 CO 0.00 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1rrl n GLY 110 N 2.11 0.55 3.35 3.44 0.00 -1.26 -4.11 105.19 109.27 1rrl n GLY 110 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 1.99 3.79 0.20 -0.61 1.01 -1.26 -4.95 121.20 121.37 1rrl s ILE 111 Ca 0.00 -0.51 -0.31 0.00 0.00 0.00 0.00 60.65 59.83 1rrl s ILE 111 Cb 0.00 -2.83 -0.10 0.00 0.01 0.00 0.00 42.46 39.54 1rrl s ILE 111 CO 0.00 0.27 1.52 -2.16 0.00 0.00 0.00 174.94 174.57 1rrl s PRO 112 N 1.51 4.23 -0.01 2.79 0.04 -1.26 0.41 135.00 142.70 1rrl s PRO 112 Ca 0.04 2.35 0.02 0.00 0.04 0.00 0.00 61.00 63.45 1rrl s PRO 112 Cb -0.16 -3.13 0.02 0.00 0.04 0.00 0.00 34.50 31.27 1rrl s PRO 112 CO 0.00 -0.54 0.82 0.41 0.04 0.00 0.00 177.00 177.73 1rrl n GLY 113 N 3.12 0.64 3.61 0.56 0.00 -0.83 -4.74 105.19 107.54 1rrl n GLY 113 Ca 0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.70 -2.00 -0.04 4.61 0.00 -1.22 -1.85 121.76 120.58 1rrl s ALA 114 Ca 0.03 1.01 -0.18 0.00 0.00 0.00 0.00 51.96 52.82 1rrl s ALA 114 Cb 0.02 0.24 0.03 0.00 0.00 0.00 0.00 23.12 23.42 1rrl s ALA 114 CO 0.00 -0.80 0.39 -0.59 0.00 0.00 0.00 175.76 174.77 1rrl s PHE 115 N -2.71 -0.31 0.11 0.00 -0.12 -0.86 -0.35 117.98 113.74 1rrl s PHE 115 Ca 0.10 0.54 -0.01 0.00 -0.05 0.00 0.00 56.93 57.51 1rrl s PHE 115 Cb 0.00 0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 42.51 1rrl s PHE 115 CO -0.04 -0.41 0.28 0.71 -0.05 0.00 0.00 175.22 175.70 1rrl s TYR 116 N -1.10 3.50 0.01 3.49 2.02 0.75 -1.35 117.35 124.68 1rrl s TYR 116 Ca -0.11 0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.92 1rrl s TYR 116 Cb -0.04 -1.81 -0.01 0.00 -0.40 0.00 0.00 41.96 39.70 1rrl s TYR 116 CO 0.05 0.52 -0.05 -1.50 -1.57 0.00 0.00 175.55 173.00 1rrl s ILE 117 N -1.61 0.39 -0.12 2.71 2.07 -0.46 -0.67 121.20 123.49 1rrl s ILE 117 Ca 0.37 -0.43 -0.01 0.00 -1.41 0.00 0.00 60.65 59.17 1rrl s ILE 117 Cb -0.12 -0.37 0.03 0.00 0.13 0.00 0.00 42.46 42.13 1rrl s ILE 117 CO 0.27 -0.04 -0.04 -0.54 -1.91 0.00 0.00 174.94 172.68 1rrl s LYS 118 N -0.50 1.23 -0.16 3.50 1.02 -0.57 -3.40 119.74 120.86 1rrl s LYS 118 Ca -0.02 -0.24 -0.23 0.00 0.02 0.00 0.00 55.97 55.50 1rrl s LYS 118 Cb -0.04 -1.58 -0.02 0.00 -0.52 0.00 0.00 37.83 35.66 1rrl s LYS 118 CO -0.00 -0.34 0.70 1.21 -0.92 0.00 0.00 175.35 176.00 1rrl s ASN 119 N 1.76 6.83 0.00 2.83 3.84 -1.26 -1.63 114.94 127.31 1rrl s ASN 119 Ca 0.04 1.00 0.14 0.00 0.21 0.00 0.00 52.86 54.25 1rrl s ASN 119 Cb -0.13 -2.39 0.22 0.00 -0.55 0.00 0.00 41.25 38.39 1rrl s ASN 119 CO -0.07 -0.28 1.09 0.49 -2.79 0.00 0.00 177.10 175.54 1rrl n PHE 120 N 4.84 0.23 -3.07 0.43 3.72 0.69 -0.08 117.46 124.21 1rrl n PHE 120 Ca 0.00 -0.19 -0.29 0.00 -0.05 0.00 0.00 57.45 56.92 1rrl n PHE 120 Cb 0.50 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 39.00 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 -1.10 3.66 0.14 -1.08 -1.94 -1.24 -4.95 119.30 112.78 1rrl s MET 121 Ca 0.21 0.16 -0.27 0.00 -1.71 0.00 0.00 55.69 54.09 1rrl s MET 121 Cb 0.13 -2.52 -0.02 0.00 2.01 0.00 0.00 34.83 34.43 1rrl s MET 121 CO 0.18 0.06 1.58 0.37 -0.01 0.00 0.00 175.02 177.21 1rrl h GLN 122 N 1.25 -0.37 -6.20 2.03 5.75 -1.97 -3.38 115.11 112.21 1rrl h GLN 122 Ca -0.48 0.03 -0.57 0.00 -0.15 0.00 0.00 58.65 57.48 1rrl h GLN 122 Cb 1.19 0.09 -0.05 0.00 1.07 0.00 0.00 27.48 29.78 1rrl h GLN 122 CO 0.64 -0.25 -0.03 0.99 -2.65 0.00 0.00 178.83 177.53 1rrl s THR 123 N -5.90 4.77 0.55 2.39 2.01 -1.26 -4.58 115.64 113.62 1rrl s THR 123 Ca -0.15 1.22 -0.18 0.00 0.31 0.00 0.00 61.69 62.89 1rrl s THR 123 Cb 0.11 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 1rrl s THR 123 CO 0.65 0.53 1.06 -1.83 -0.69 0.00 0.00 174.62 174.35 1rrl s GLU 124 N -0.92 3.46 0.02 4.92 1.03 -1.26 -4.80 118.70 121.14 1rrl s GLU 124 Ca 0.29 1.34 -0.06 0.00 0.03 0.00 0.00 54.97 56.57 1rrl s GLU 124 Cb -0.19 -2.04 -0.00 0.00 -0.80 0.00 0.00 34.13 31.09 1rrl s GLU 124 CO 0.19 -0.71 0.11 -0.59 -1.33 0.00 0.00 175.26 172.93 1rrl s PHE 125 N -2.17 0.11 -0.68 4.83 -0.12 -1.19 -4.28 117.98 114.48 1rrl s PHE 125 Ca 0.67 -0.30 -0.20 0.00 -0.05 0.00 0.00 56.93 57.05 1rrl s PHE 125 Cb -0.18 -0.09 0.10 0.00 -0.63 0.00 0.00 43.02 42.22 1rrl s PHE 125 CO 0.30 -0.32 0.87 0.12 -0.05 0.00 0.00 175.22 176.14 1rrl s PHE 126 N -1.88 2.93 -0.04 3.49 5.36 -0.63 -0.95 117.98 126.25 1rrl s PHE 126 Ca -0.11 -0.92 -0.30 0.00 -0.96 0.00 0.00 56.93 54.64 1rrl s PHE 126 Cb -0.05 -4.16 -0.05 0.00 -0.34 0.00 0.00 43.02 38.42 1rrl s PHE 126 CO -0.01 -1.45 1.49 -1.17 -1.46 0.00 0.00 175.22 172.63 1rrl s LEU 127 N 3.10 4.30 -0.24 6.12 2.96 -0.89 -0.60 118.68 133.44 1rrl s LEU 127 Ca 0.19 2.12 -0.18 0.00 -0.22 0.00 0.00 54.13 56.04 1rrl s LEU 127 Cb -0.18 -3.55 -0.15 0.00 0.50 0.00 0.00 46.19 42.81 1rrl s LEU 127 CO 0.05 -0.82 -0.05 0.52 -1.32 0.00 0.00 176.35 174.73 1rrl n VAL 128 N 5.09 1.53 -3.86 1.68 0.31 0.23 -1.17 118.33 122.13 1rrl n VAL 128 Ca 0.15 -0.17 -0.10 0.00 -0.01 0.00 0.00 64.34 64.22 1rrl n VAL 128 Cb 0.43 -1.99 -0.06 0.00 -0.91 0.00 0.00 33.84 31.31 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 -7.07 -0.08 -0.01 4.52 1.04 -0.47 0.13 113.70 111.76 1rrl s SER 129 Ca -0.33 -0.69 0.01 0.00 0.48 0.00 0.00 55.95 55.42 1rrl s SER 129 Cb 0.10 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1rrl s SER 129 CO 0.53 -0.95 -0.04 -0.22 0.98 0.00 0.00 173.24 173.53 1rrl s LEU 130 N -2.92 1.87 -0.05 2.42 2.96 -0.14 -1.48 118.68 121.35 1rrl s LEU 130 Ca 0.13 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 53.99 1rrl s LEU 130 Cb 0.02 -0.27 0.00 0.00 0.50 0.00 0.00 46.19 46.44 1rrl s LEU 130 CO -0.02 0.04 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.01 1rrl s THR 131 N 0.08 1.32 -0.18 3.68 2.01 0.55 0.59 115.64 123.70 1rrl s THR 131 Ca -0.00 -0.63 -0.04 0.00 0.31 0.00 0.00 61.69 61.33 1rrl s THR 131 Cb -0.04 -1.16 -0.02 0.00 0.01 0.00 0.00 72.50 71.29 1rrl s THR 131 CO -0.00 0.39 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.52 1rrl s LEU 132 N 0.27 3.09 -0.30 4.42 1.43 -0.41 -0.33 118.68 126.84 1rrl s LEU 132 Ca -0.08 -0.24 -0.08 0.00 -1.03 0.00 0.00 54.13 52.69 1rrl s LEU 132 Cb -0.13 -1.76 -0.00 0.00 0.03 0.00 0.00 46.19 44.33 1rrl s LEU 132 CO 0.03 0.09 0.12 -1.61 0.23 0.00 0.00 176.35 175.21 1rrl s GLU 133 N 0.82 3.24 0.00 1.70 2.02 0.21 -1.24 118.70 125.44 1rrl s GLU 133 Ca -0.01 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.20 1rrl s GLU 133 Cb -0.15 -3.48 0.00 0.00 0.10 0.00 0.00 34.13 30.60 1rrl s GLU 133 CO 0.02 -0.42 0.00 -3.47 0.02 0.00 0.00 175.26 171.40 1rrl n ASP 134 N 4.93 0.00 0.00 -0.19 2.03 -1.26 -1.44 116.55 120.62 1rrl n ASP 134 Ca -0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 1rrl n ASP 134 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 1rrl n ASP 134 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1rrl n ILE 135 N 0.00 0.00 0.00 5.18 5.41 -1.26 -4.61 119.36 124.08 1rrl n ILE 135 Ca 0.00 0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1rrl n ILE 135 Cb 0.00 -0.88 0.00 0.00 -0.71 0.00 0.00 39.64 38.05 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 -1.89 0.00 -1.56 0.38 -0.05 -1.26 -4.88 135.00 125.74 1rrl n PRO 136 Ca 0.00 0.00 -0.34 0.00 -0.05 0.00 0.00 63.50 63.11 1rrl n PRO 136 Cb 0.00 0.00 0.06 0.00 -0.05 0.00 0.00 33.50 33.51 1rrl n PRO 136 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 175.50 173.74 1rrl n ASN 137 N 0.00 7.22 -4.29 3.54 2.85 -1.26 -4.91 115.26 118.42 1rrl n ASN 137 Ca 0.00 -3.79 -0.32 0.00 -0.11 0.00 0.00 54.58 50.36 1rrl n ASN 137 Cb 0.00 -0.89 -0.16 0.00 1.24 0.00 0.00 39.78 39.97 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 -3.83 2.60 1.00 1.20 2.46 -1.26 -5.12 115.29 112.33 1rrl s HIS 138 Ca 0.60 -0.80 -0.17 0.00 0.47 0.00 0.00 55.06 55.17 1rrl s HIS 138 Cb 0.48 -1.71 0.25 0.00 -0.13 0.00 0.00 32.58 31.47 1rrl s HIS 138 CO -0.08 -0.27 0.85 0.41 -2.47 0.00 0.00 174.74 173.18 1rrl n GLY 139 N 3.28 -2.82 3.77 1.59 0.00 -1.26 -4.65 105.19 105.10 1rrl n GLY 139 Ca -0.18 -1.47 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 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 -3.76 6.42 -0.20 1.61 0.01 -1.26 -4.72 113.70 111.80 1rrl s SER 140 Ca 0.56 2.78 -0.08 0.00 1.31 0.00 0.00 55.95 60.52 1rrl s SER 140 Cb -0.06 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.48 1rrl s SER 140 CO 0.43 -0.79 0.07 -0.63 0.41 0.00 0.00 173.24 172.74 1rrl s ILE 141 N -1.19 4.73 -0.14 1.44 1.01 -0.38 -4.95 121.20 121.73 1rrl s ILE 141 Ca 0.54 -0.05 -0.05 0.00 0.00 0.00 0.00 60.65 61.09 1rrl s ILE 141 Cb -0.41 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1rrl s ILE 141 CO 0.54 0.43 0.04 -1.00 0.00 0.00 0.00 174.94 174.95 1rrl s HIS 142 N 0.64 3.25 -0.17 3.97 3.76 -1.26 -1.29 115.29 124.19 1rrl s HIS 142 Ca 0.03 0.14 -0.01 0.00 -0.15 0.00 0.00 55.06 55.08 1rrl s HIS 142 Cb -0.13 -1.95 -0.00 0.00 1.11 0.00 0.00 32.58 31.61 1rrl s HIS 142 CO 0.01 0.32 -0.13 -0.06 -0.85 0.00 0.00 174.74 174.03 1rrl s PHE 143 N -0.24 2.82 -0.29 1.40 0.40 0.20 -1.12 117.98 121.15 1rrl s PHE 143 Ca 0.07 -1.07 -0.06 0.00 -0.60 0.00 0.00 56.93 55.27 1rrl s PHE 143 Cb -0.12 -1.94 0.01 0.00 0.51 0.00 0.00 43.02 41.48 1rrl s PHE 143 CO 0.02 -0.51 0.07 0.08 0.70 0.00 0.00 175.22 175.58 1rrl s VAL 144 N 0.98 3.90 -0.17 -0.44 1.01 -1.26 -0.96 120.40 123.46 1rrl s VAL 144 Ca -0.02 -0.69 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 1rrl s VAL 144 Cb -0.15 -3.00 -0.06 0.00 0.00 0.00 0.00 36.38 33.17 1rrl s VAL 144 CO -0.02 0.10 -0.33 0.00 0.00 0.00 0.00 175.10 174.85 1rrl n ASN 146 N -4.35 -6.57 -3.63 0.00 3.02 -0.32 -4.99 115.26 98.42 1rrl n ASN 146 Ca -0.13 -0.62 -0.11 0.00 -0.03 0.00 0.00 54.58 53.68 1rrl n ASN 146 Cb 0.49 -4.63 -0.07 0.00 -0.61 0.00 0.00 39.78 34.96 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 -3.28 -0.69 0.25 6.41 0.15 -1.06 -5.00 113.70 110.49 1rrl s SER 147 Ca 0.32 1.28 -0.30 0.00 0.70 0.00 0.00 55.95 57.95 1rrl s SER 147 Cb -0.07 1.29 -0.09 0.00 -1.71 0.00 0.00 66.02 65.45 1rrl s SER 147 CO 0.78 -0.22 1.04 0.26 1.20 0.00 0.00 173.24 176.30 1rrl s TRP 148 N 0.56 3.74 -0.32 3.44 0.52 -1.26 -2.09 118.94 123.53 1rrl s TRP 148 Ca -0.01 1.77 -0.01 0.00 0.02 0.00 0.00 56.10 57.88 1rrl s TRP 148 Cb -0.05 -3.16 0.07 0.00 -1.15 0.00 0.00 33.47 29.18 1rrl s TRP 148 CO -0.05 -0.16 0.03 0.42 0.02 0.00 0.00 176.95 177.22 1rrl s ILE 149 N -1.01 2.83 0.60 2.03 -1.09 -0.12 -4.93 121.20 119.51 1rrl s ILE 149 Ca 0.44 -1.69 -0.03 0.00 -2.23 0.00 0.00 60.65 57.14 1rrl s ILE 149 Cb -0.29 -2.76 0.03 0.00 -1.58 0.00 0.00 42.46 37.86 1rrl s ILE 149 CO 0.37 -0.28 0.87 -0.31 -1.23 0.00 0.00 174.94 174.36 1rrl s TYR 150 N 1.16 3.02 0.30 3.97 1.51 -1.26 -3.20 117.35 122.85 1rrl s TYR 150 Ca -0.01 0.33 -0.28 0.00 -1.01 0.00 0.00 57.07 56.10 1rrl s TYR 150 Cb -0.20 -2.84 -0.14 0.00 -0.11 0.00 0.00 41.96 38.67 1rrl s TYR 150 CO -0.03 -0.97 0.94 -1.71 -1.11 0.00 0.00 175.55 172.67 1rrl n ASN 151 N -2.56 0.97 0.26 2.29 2.85 -1.26 -4.35 115.26 113.46 1rrl n ASN 151 Ca 0.06 1.15 0.10 0.00 -0.11 0.00 0.00 54.58 55.78 1rrl n ASN 151 Cb 0.59 -1.26 0.67 0.00 1.24 0.00 0.00 39.78 41.02 1rrl n ASN 151 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1rrl h ALA 152 N 1.82 1.62 -0.16 5.20 0.00 -0.81 -2.85 119.26 124.08 1rrl h ALA 152 Ca -0.39 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.48 1rrl h ALA 152 Cb 1.35 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1rrl h ALA 152 CO 0.60 0.12 0.25 0.87 0.00 0.00 0.00 179.25 181.08 1rrl h LYS 153 N 0.00 0.00 -0.00 0.00 1.57 -1.89 -2.42 116.57 113.83 1rrl h LYS 153 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rrl h LYS 153 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1rrl h LYS 153 CO 0.01 0.00 -0.01 1.28 -0.57 0.00 0.00 179.45 180.16 1rrl n LEU 154 N -3.49 0.25 -3.92 2.94 4.77 -1.08 -4.83 117.00 111.65 1rrl n LEU 154 Ca 0.01 -0.03 -0.23 0.00 -0.03 0.00 0.00 56.01 55.73 1rrl n LEU 154 Cb 0.36 -0.06 -0.17 0.00 -2.33 0.00 0.00 43.42 41.22 1rrl n LEU 154 CO 0.23 0.04 -0.43 -0.36 -1.33 0.00 0.00 177.39 175.55 1rrl s PHE 155 N -2.13 1.11 0.09 -1.77 0.08 -0.91 -5.01 117.98 109.43 1rrl s PHE 155 Ca 0.42 -0.42 -0.32 0.00 0.12 0.00 0.00 56.93 56.73 1rrl s PHE 155 Cb 0.21 -0.93 -0.15 0.00 -0.57 0.00 0.00 43.02 41.58 1rrl s PHE 155 CO 0.39 -0.31 1.61 -0.22 -0.10 0.00 0.00 175.22 176.59 1rrl h LYS 156 N 7.52 -0.79 -5.18 0.44 3.64 -1.88 -3.40 116.57 116.92 1rrl h LYS 156 Ca -0.31 0.05 -0.64 0.00 -1.27 0.00 0.00 60.65 58.48 1rrl h LYS 156 Cb 1.15 0.18 -0.23 0.00 -0.41 0.00 0.00 32.23 32.93 1rrl h LYS 156 CO 0.43 -0.53 -0.66 -1.54 -2.27 0.00 0.00 179.45 174.88 1rrl s SER 157 N -4.50 4.81 0.74 4.20 1.04 -1.26 -5.09 113.70 113.64 1rrl s SER 157 Ca -0.17 -0.18 -0.16 0.00 0.48 0.00 0.00 55.95 55.92 1rrl s SER 157 Cb 0.05 -1.81 -0.04 0.00 0.10 0.00 0.00 66.02 64.32 1rrl s SER 157 CO 0.63 0.10 0.44 0.47 0.98 0.00 0.00 173.24 175.86 1rrl n ASP 158 N 4.02 -1.55 -4.62 7.02 8.00 -1.26 -4.86 116.55 123.30 1rrl n ASP 158 Ca -0.17 0.56 -0.43 0.00 0.71 0.00 0.00 54.79 55.46 1rrl n ASP 158 Cb 0.52 -1.18 -0.03 0.00 -0.02 0.00 0.00 41.12 40.41 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 -2.72 3.59 -0.12 -1.24 1.81 -1.22 -4.84 118.95 114.20 1rrl s ARG 159 Ca 0.63 1.86 -0.06 0.00 -1.72 0.00 0.00 55.73 56.44 1rrl s ARG 159 Cb -0.34 -4.17 -0.04 0.00 -0.45 0.00 0.00 34.95 29.95 1rrl s ARG 159 CO 0.60 -1.56 0.11 -1.50 -0.68 0.00 0.00 175.30 172.26 1rrl s ILE 160 N 6.22 5.23 0.11 1.52 2.07 -1.26 -1.36 121.20 133.72 1rrl s ILE 160 Ca 0.83 0.10 0.05 0.00 -1.41 0.00 0.00 60.65 60.23 1rrl s ILE 160 Cb -0.29 -3.27 -0.04 0.00 0.13 0.00 0.00 42.46 38.99 1rrl s ILE 160 CO 0.33 0.60 -0.13 -0.36 -1.91 0.00 0.00 174.94 173.48 1rrl s PHE 161 N -0.89 1.29 0.29 3.50 0.08 -0.45 -4.99 117.98 116.81 1rrl s PHE 161 Ca 0.14 -0.56 0.10 0.00 0.12 0.00 0.00 56.93 56.74 1rrl s PHE 161 Cb -0.12 -0.69 -0.05 0.00 -0.57 0.00 0.00 43.02 41.59 1rrl s PHE 161 CO 0.03 0.10 -0.08 -0.06 -0.10 0.00 0.00 175.22 175.11 1rrl s PHE 162 N -2.03 2.50 1.17 0.36 0.08 -1.26 -2.02 117.98 116.78 1rrl s PHE 162 Ca 0.06 -0.31 -0.18 0.00 0.12 0.00 0.00 56.93 56.61 1rrl s PHE 162 Cb -0.05 -1.17 0.27 0.00 -0.57 0.00 0.00 43.02 41.50 1rrl s PHE 162 CO 0.02 0.63 1.13 0.00 -0.10 0.00 0.00 175.22 176.90 1rrl s ALA 163 N -2.44 0.77 0.54 5.36 0.00 -0.77 -4.35 121.76 120.87 1rrl s ALA 163 Ca 0.31 -0.93 0.28 0.00 0.00 0.00 0.00 51.96 51.63 1rrl s ALA 163 Cb -0.04 -2.89 1.44 0.00 0.00 0.00 0.00 23.12 21.63 1rrl s ALA 163 CO 0.18 -3.44 1.96 -0.91 0.00 0.00 0.00 175.76 173.55 1rrl h ASN 164 N -2.45 0.00 -2.96 0.00 -0.26 -1.44 -3.45 115.58 105.02 1rrl h ASN 164 Ca -0.46 0.00 -0.53 0.00 -0.56 0.00 0.00 56.30 54.75 1rrl h ASN 164 Cb 1.29 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 38.57 1rrl h ASN 164 CO 0.36 0.00 0.77 -1.10 -1.06 0.00 0.00 177.43 176.40 1rrl s GLN 165 N -4.94 4.30 -0.30 0.81 1.11 -1.26 -2.50 119.66 116.88 1rrl s GLN 165 Ca -0.05 2.06 -0.29 0.00 0.01 0.00 0.00 55.36 57.10 1rrl s GLN 165 Cb 0.20 -3.35 0.01 0.00 -1.01 0.00 0.00 33.01 28.86 1rrl s GLN 165 CO 0.71 -0.49 1.13 0.99 0.01 0.00 0.00 175.29 177.64 1rrl s THR 166 N 1.50 4.44 -0.06 -0.19 2.01 -1.26 -4.86 115.64 117.21 1rrl s THR 166 Ca 0.65 1.66 0.04 0.00 0.31 0.00 0.00 61.69 64.36 1rrl s THR 166 Cb -0.36 -4.34 -0.00 0.00 0.01 0.00 0.00 72.50 67.81 1rrl s THR 166 CO 0.29 -0.44 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.27 1rrl s TYR 167 N 3.75 2.07 0.59 4.92 2.02 -1.04 -4.92 117.35 124.74 1rrl s TYR 167 Ca 0.48 -0.69 -0.14 0.00 -0.37 0.00 0.00 57.07 56.35 1rrl s TYR 167 Cb -0.14 -1.39 -0.05 0.00 -0.40 0.00 0.00 41.96 39.99 1rrl s TYR 167 CO 0.16 -0.26 1.02 -0.51 -1.57 0.00 0.00 175.55 174.40 1rrl s LEU 168 N 0.15 3.41 0.51 -1.29 1.43 -1.26 -3.71 118.68 117.92 1rrl s LEU 168 Ca -0.09 1.57 0.22 0.00 -1.03 0.00 0.00 54.13 54.80 1rrl s LEU 168 Cb -0.14 -4.50 1.32 0.00 0.03 0.00 0.00 46.19 42.90 1rrl s LEU 168 CO 0.04 -0.90 2.02 -0.65 0.23 0.00 0.00 176.35 177.10 1rrl h PRO 169 N 0.21 0.06 -0.18 1.29 0.11 -1.98 0.31 132.00 131.81 1rrl h PRO 169 Ca -0.45 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.50 1rrl h PRO 169 Cb 1.20 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1rrl h PRO 169 CO 0.60 0.04 -0.51 0.66 -0.21 0.00 0.00 178.00 178.57 1rrl h SER 170 N 0.06 0.55 -0.03 -2.05 4.64 -1.94 -3.04 113.55 111.74 1rrl h SER 170 Ca 0.21 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1rrl h SER 170 Cb 0.77 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1rrl h SER 170 CO -0.01 0.97 0.00 -0.62 -0.87 0.00 0.00 176.83 176.30 1rrl n GLU 171 N -3.97 1.32 -1.73 4.77 1.02 1.00 -4.86 120.64 118.19 1rrl n GLU 171 Ca -0.03 -0.47 -0.42 0.00 -0.02 0.00 0.00 57.16 56.22 1rrl n GLU 171 Cb 0.58 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.52 1rrl n GLU 171 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1rrl s THR 172 N -1.97 2.22 0.06 2.62 2.01 -0.60 -4.73 115.64 115.25 1rrl s THR 172 Ca 0.39 0.04 -0.33 0.00 0.31 0.00 0.00 61.69 62.10 1rrl s THR 172 Cb 0.20 -3.02 -0.12 0.00 0.01 0.00 0.00 72.50 69.56 1rrl s THR 172 CO 0.32 0.00 1.76 -2.65 -0.69 0.00 0.00 174.62 173.36 1rrl n PRO 173 N 4.59 2.35 -0.31 4.92 -0.02 -1.26 -4.86 135.00 140.41 1rrl n PRO 173 Ca 0.17 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 1rrl n PRO 173 Cb 0.36 -2.69 0.07 0.00 -0.02 0.00 0.00 33.50 31.22 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 7.84 0.32 0.00 3.55 0.00 -1.92 -0.14 119.26 128.91 1rrl h ALA 174 Ca -0.47 0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1rrl h ALA 174 Cb 1.25 0.80 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1rrl h ALA 174 CO 0.93 -0.53 0.16 -2.30 0.00 0.00 0.00 179.25 177.51 1rrl n PRO 175 N -5.51 0.11 0.00 0.00 -0.02 -1.25 -1.80 135.00 126.52 1rrl n PRO 175 Ca 0.10 0.59 0.06 0.00 -2.02 0.00 0.00 63.50 62.24 1rrl n PRO 175 Cb 0.41 -2.02 0.04 0.00 -0.02 0.00 0.00 33.50 31.92 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 -2.11 1.89 -0.15 2.45 4.77 -0.08 0.19 117.00 123.96 1rrl n LEU 176 Ca -0.01 -0.94 -0.08 0.00 -0.03 0.00 0.00 56.01 54.95 1rrl n LEU 176 Cb 0.19 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1rrl n LEU 176 CO 0.07 0.36 1.03 0.58 -1.33 0.00 0.00 177.39 178.10 1rrl h VAL 177 N 2.23 1.14 -0.56 4.08 2.07 -1.22 -1.99 116.25 122.00 1rrl h VAL 177 Ca 0.00 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 1rrl h VAL 177 Cb 0.50 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1rrl h VAL 177 CO 0.00 0.15 0.04 0.50 0.02 0.00 0.00 177.57 178.28 1rrl h LYS 178 N 0.61 0.97 -0.26 1.57 3.64 -1.84 -2.41 116.57 118.86 1rrl h LYS 178 Ca 0.16 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1rrl h LYS 178 Cb -0.00 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1rrl h LYS 178 CO -0.03 0.95 0.17 1.88 -2.27 0.00 0.00 179.45 180.15 1rrl h TYR 179 N 0.86 0.33 0.50 1.91 0.05 -1.85 0.39 116.97 119.16 1rrl h TYR 179 Ca 0.16 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.94 1rrl h TYR 179 Cb 0.49 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 1rrl h TYR 179 CO 0.04 0.22 -0.39 -0.09 -1.05 0.00 0.00 178.16 176.89 1rrl h ARG 180 N 0.34 -0.84 -0.68 4.88 2.43 -1.27 -1.50 114.38 117.74 1rrl h ARG 180 Ca 0.09 0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.40 1rrl h ARG 180 Cb -0.03 0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 1rrl h ARG 180 CO -0.02 -0.56 0.45 0.93 -1.51 0.00 0.00 179.97 179.26 1rrl h GLU 181 N -0.87 0.60 0.00 0.20 5.08 -1.28 -3.09 114.58 115.22 1rrl h GLU 181 Ca -0.05 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.09 1rrl h GLU 181 Cb 0.74 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1rrl h GLU 181 CO 0.00 0.40 -0.85 1.05 -1.00 0.00 0.00 179.01 178.61 1rrl h GLU 182 N 0.62 0.01 -0.28 2.33 4.11 0.39 -2.01 114.58 119.74 1rrl h GLU 182 Ca 0.31 -0.01 0.01 0.00 0.07 0.00 0.00 59.36 59.74 1rrl h GLU 182 Cb 0.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1rrl h GLU 182 CO -0.10 0.86 0.17 1.49 0.07 0.00 0.00 179.01 181.49 1rrl h GLU 183 N 0.00 0.33 -0.73 1.06 4.22 -1.23 -1.91 114.58 116.32 1rrl h GLU 183 Ca -0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.39 1rrl h GLU 183 Cb 1.51 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.65 1rrl h GLU 183 CO 0.11 0.22 0.39 -0.07 -2.18 0.00 0.00 179.01 177.48 1rrl h LEU 184 N 0.34 0.93 -0.70 1.64 4.07 -1.43 -0.36 115.31 119.79 1rrl h LEU 184 Ca 0.11 -0.11 0.01 0.00 0.08 0.00 0.00 57.88 57.98 1rrl h LEU 184 Cb -0.00 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 41.46 1rrl h LEU 184 CO -0.05 0.77 0.46 -0.74 -1.08 0.00 0.00 178.44 177.80 1rrl h HIS 185 N 1.01 0.86 0.00 1.13 2.76 -1.26 -2.47 115.15 117.19 1rrl h HIS 185 Ca 0.26 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.38 1rrl h HIS 185 Cb 0.06 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.72 1rrl h HIS 185 CO 0.00 0.53 -0.32 -0.91 -1.30 0.00 0.00 177.93 175.93 1rrl h ASN 186 N 0.92 0.00 0.96 3.26 2.35 -0.41 -2.12 115.58 120.54 1rrl h ASN 186 Ca 0.26 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.82 1rrl h ASN 186 Cb -0.07 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 1rrl h ASN 186 CO -0.07 0.32 -0.90 -0.07 -1.65 0.00 0.00 177.43 175.05 1rrl h LEU 187 N 0.00 0.00 0.02 1.61 4.07 -0.93 -3.34 115.31 116.74 1rrl h LEU 187 Ca -0.00 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 1rrl h LEU 187 Cb 0.75 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.50 1rrl h LEU 187 CO 0.04 0.90 -0.25 0.03 -1.08 0.00 0.00 178.44 178.09 1rrl h ARG 188 N 0.00 0.12 0.00 1.13 3.08 -0.92 0.19 114.38 117.99 1rrl h ARG 188 Ca -0.01 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1rrl h ARG 188 Cb 1.63 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.73 1rrl h ARG 188 CO 0.12 0.99 0.00 0.41 -1.07 0.00 0.00 179.97 180.42 1rrl n GLY 189 N 1.33 -1.83 0.23 0.04 0.00 -1.08 -4.20 105.19 99.69 1rrl n GLY 189 Ca -0.10 -1.54 0.02 0.00 0.00 0.00 0.00 46.02 44.40 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 0.44 1.96 0.00 1.61 5.68 -1.26 -4.96 116.55 120.02 1rrl n ASP 190 Ca 0.00 -1.66 0.00 0.00 -0.50 0.00 0.00 54.79 52.63 1rrl n ASP 190 Cb 0.00 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 1rrl n ASP 190 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rrl n GLY 191 N 0.07 0.65 2.69 6.12 0.00 -1.26 -5.02 105.19 108.43 1rrl n GLY 191 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 1rrl n GLY 191 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rrl n THR 192 N -2.55 0.00 -0.19 2.61 -2.24 -1.26 -5.10 114.28 105.55 1rrl n THR 192 Ca 0.00 -1.59 0.02 0.00 -2.27 0.00 0.00 64.05 60.21 1rrl n THR 192 Cb 0.02 -0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.19 1rrl n THR 192 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rrl n GLY 193 N 0.36 -2.38 3.72 3.38 0.00 -1.26 -4.89 105.19 104.12 1rrl n GLY 193 Ca -0.05 -1.42 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.67 4.48 -0.10 1.61 2.12 -1.25 -4.25 118.70 118.63 1rrl s GLU 194 Ca 0.00 1.03 -0.30 0.00 0.36 0.00 0.00 54.97 56.07 1rrl s GLU 194 Cb 0.00 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.95 1rrl s GLU 194 CO 0.00 0.10 1.01 1.03 -0.54 0.00 0.00 175.26 176.86 1rrl s ARG 195 N 0.61 4.43 0.16 4.30 1.81 -1.26 -4.80 118.95 124.21 1rrl s ARG 195 Ca 0.41 1.39 0.00 0.00 -1.72 0.00 0.00 55.73 55.81 1rrl s ARG 195 Cb -0.19 -3.54 -0.04 0.00 -0.45 0.00 0.00 34.95 30.73 1rrl s ARG 195 CO 0.21 -0.29 0.33 0.15 -0.68 0.00 0.00 175.30 175.02 1rrl s LYS 196 N 1.93 3.49 0.26 3.54 -0.14 -1.26 -4.66 119.74 122.89 1rrl s LYS 196 Ca 0.49 -0.43 -0.06 0.00 -1.36 0.00 0.00 55.97 54.61 1rrl s LYS 196 Cb -0.18 -2.91 0.49 0.00 -1.68 0.00 0.00 37.83 33.55 1rrl s LYS 196 CO 0.19 0.47 1.61 1.49 -0.76 0.00 0.00 175.35 178.35 1rrl h GLU 197 N 2.21 0.07 0.00 1.68 4.81 -1.95 -0.04 114.58 121.36 1rrl h GLU 197 Ca -0.48 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1rrl h GLU 197 Cb 1.19 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1rrl h GLU 197 CO 0.69 0.04 0.00 -2.67 -0.73 0.00 0.00 179.01 176.35 1rrl n TRP 198 N -5.41 0.00 -3.20 0.92 4.27 -1.26 -4.35 117.44 108.41 1rrl n TRP 198 Ca 0.15 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.42 1rrl n TRP 198 Cb 0.52 -0.07 -0.06 0.00 -1.36 0.00 0.00 31.31 30.34 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 -2.14 4.04 -0.60 -2.67 2.02 -0.03 -4.89 118.70 114.43 1rrl s GLU 199 Ca 0.28 0.64 0.05 0.00 0.02 0.00 0.00 54.97 55.97 1rrl s GLU 199 Cb 0.14 -2.67 0.31 0.00 0.10 0.00 0.00 34.13 32.02 1rrl s GLU 199 CO 0.26 0.30 0.89 0.54 0.02 0.00 0.00 175.26 177.26 1rrl n ARG 200 N 0.16 3.03 -4.62 1.61 1.74 -1.26 -1.45 116.66 115.87 1rrl n ARG 200 Ca 0.00 -4.81 -0.33 0.00 -0.77 0.00 0.00 57.85 51.94 1rrl n ARG 200 Cb 0.52 -2.25 -0.16 0.00 -1.02 0.00 0.00 32.46 29.55 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 -3.85 2.24 -0.24 0.55 1.01 -1.26 -4.42 121.20 115.22 1rrl s ILE 201 Ca 0.46 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 60.14 1rrl s ILE 201 Cb 0.24 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 1rrl s ILE 201 CO -0.10 0.54 0.02 -0.31 0.00 0.00 0.00 174.94 175.09 1rrl s TYR 202 N 0.82 3.04 0.17 3.97 1.51 0.67 -4.56 117.35 122.98 1rrl s TYR 202 Ca -0.06 -0.70 -0.05 0.00 -1.01 0.00 0.00 57.07 55.24 1rrl s TYR 202 Cb -0.15 -2.18 0.02 0.00 -0.11 0.00 0.00 41.96 39.54 1rrl s TYR 202 CO -0.02 -0.46 0.33 -3.47 -1.11 0.00 0.00 175.55 170.82 1rrl n ASP 203 N 4.86 -0.94 -4.43 2.29 -0.08 -1.26 -4.51 116.55 112.48 1rrl n ASP 203 Ca -0.17 -1.75 -0.30 0.00 -1.51 0.00 0.00 54.79 51.07 1rrl n ASP 203 Cb 0.51 1.60 -0.13 0.00 2.34 0.00 0.00 41.12 45.44 1rrl n ASP 203 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1rrl s TYR 204 N -5.54 2.46 0.19 -0.67 1.51 -1.26 -0.89 117.35 113.14 1rrl s TYR 204 Ca 0.08 -0.31 -0.03 0.00 -1.01 0.00 0.00 57.07 55.80 1rrl s TYR 204 Cb -0.02 -1.38 -0.03 0.00 -0.11 0.00 0.00 41.96 40.42 1rrl s TYR 204 CO 0.06 0.28 0.17 0.34 -1.11 0.00 0.00 175.55 175.29 1rrl s ASP 205 N -1.68 0.15 0.53 2.29 -1.08 0.33 -4.61 116.67 112.59 1rrl s ASP 205 Ca 0.15 -1.24 -0.09 0.00 -0.52 0.00 0.00 52.55 50.85 1rrl s ASP 205 Cb -0.10 0.39 -0.04 0.00 -1.46 0.00 0.00 42.92 41.70 1rrl s ASP 205 CO 0.06 -0.86 0.89 0.68 0.52 0.00 0.00 175.17 176.46 1rrl s VAL 206 N -4.10 4.80 -0.69 1.11 -7.23 -1.26 -0.60 120.40 112.43 1rrl s VAL 206 Ca 0.31 0.56 -0.23 0.00 -1.81 0.00 0.00 61.98 60.81 1rrl s VAL 206 Cb 0.06 -3.85 -0.19 0.00 0.56 0.00 0.00 36.38 32.97 1rrl s VAL 206 CO 0.08 -0.92 1.88 -1.22 -0.31 0.00 0.00 175.10 174.61 1rrl n TYR 207 N -2.31 1.65 -1.36 2.82 4.02 -0.90 -4.56 117.16 116.52 1rrl n TYR 207 Ca 0.03 -1.59 -0.24 0.00 -0.01 0.00 0.00 57.90 56.09 1rrl n TYR 207 Cb 0.55 -1.63 0.14 0.00 -0.02 0.00 0.00 39.34 38.37 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 8.19 4.88 0.00 7.72 6.94 -1.26 -1.36 115.26 140.36 1rrl n ASN 208 Ca 0.49 -3.71 0.00 0.00 -0.02 0.00 0.00 54.58 51.34 1rrl n ASN 208 Cb 0.41 -0.82 0.00 0.00 -2.36 0.00 0.00 39.78 37.01 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 -1.04 4.43 -0.26 0.53 -0.08 -1.26 -0.88 116.55 117.99 1rrl n ASP 209 Ca 0.55 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.96 1rrl n ASP 209 Cb 1.20 0.70 0.34 0.00 2.34 0.00 0.00 41.12 45.70 1rrl n ASP 209 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1rrl n LEU 210 N -1.53 1.09 -4.62 -2.67 4.77 -1.26 -4.91 117.00 107.87 1rrl n LEU 210 Ca 0.00 -0.30 -0.28 0.00 -0.03 0.00 0.00 56.01 55.41 1rrl n LEU 210 Cb 0.18 -0.12 -0.11 0.00 -2.33 0.00 0.00 43.42 41.05 1rrl n LEU 210 CO 0.00 0.21 -0.29 -0.83 -1.33 0.00 0.00 177.39 175.14 1rrl s GLY 211 N -2.52 2.46 -0.39 -0.72 0.00 -1.26 -1.32 107.32 103.58 1rrl s GLY 211 Ca 0.23 -2.27 0.09 0.00 0.00 0.00 0.00 44.72 42.78 1rrl s GLY 211 CO 0.53 -2.08 0.63 1.34 0.00 0.00 0.00 173.10 173.52 1rrl n ASP 212 N -0.96 0.26 0.00 1.64 -0.08 0.30 -4.80 116.55 112.91 1rrl n ASP 212 Ca -0.05 -2.87 0.12 0.00 -1.51 0.00 0.00 54.79 50.49 1rrl n ASP 212 Cb 0.66 -0.47 0.65 0.00 2.34 0.00 0.00 41.12 44.30 1rrl n ASP 212 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1rrl n PRO 213 N 0.94 0.46 0.12 -0.67 -0.04 -1.26 -0.83 135.00 133.72 1rrl n PRO 213 Ca 0.22 0.04 0.04 0.00 -0.04 0.00 0.00 63.50 63.76 1rrl n PRO 213 Cb 0.59 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.57 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 1.53 3.54 3.32 -1.95 -3.08 116.42 119.77 1rrl h ASP 214 Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1rrl h ASP 214 Cb 0.17 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1rrl h ASP 214 CO 0.00 0.42 -0.47 0.11 -1.72 0.00 0.00 179.24 177.58 1rrl h LYS 215 N 0.00 0.00 0.00 3.56 6.56 -1.40 -3.49 116.57 121.80 1rrl h LYS 215 Ca -0.04 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 1rrl h LYS 215 Cb 1.35 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.01 1rrl h LYS 215 CO 0.05 0.47 0.00 0.41 -2.06 0.00 0.00 179.45 178.32 1rrl n GLY 216 N 1.22 4.04 0.23 3.86 0.00 -1.15 -4.97 105.19 108.41 1rrl n GLY 216 Ca 0.02 -0.99 0.06 0.00 0.00 0.00 0.00 46.02 45.12 1rrl n GLY 216 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1rrl h GLU 217 N 0.00 0.00 0.00 1.61 4.39 -1.88 0.90 114.58 119.61 1rrl h GLU 217 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1rrl h GLU 217 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1rrl h GLU 217 CO 0.00 0.18 0.00 0.27 -1.16 0.00 0.00 179.01 178.30 1rrl n ASN 218 N -4.19 0.00 0.00 1.42 6.94 -1.26 -1.59 115.26 116.58 1rrl n ASN 218 Ca -0.02 0.34 0.11 0.00 -0.02 0.00 0.00 54.58 54.99 1rrl n ASN 218 Cb 0.25 -0.41 0.09 0.00 -2.36 0.00 0.00 39.78 37.35 1rrl n ASN 218 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1rrl n HIS 219 N -1.41 0.00 -2.14 -2.53 8.25 0.31 -4.94 115.22 112.76 1rrl n HIS 219 Ca 0.04 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.10 1rrl n HIS 219 Cb 0.11 -0.15 -0.01 0.00 1.12 0.00 0.00 29.99 31.06 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 -3.00 3.31 0.12 -1.41 0.00 -0.62 -0.54 121.76 119.61 1rrl s ALA 220 Ca 0.10 1.17 0.10 0.00 0.00 0.00 0.00 51.96 53.32 1rrl s ALA 220 Cb 0.17 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 1rrl s ALA 220 CO 0.77 -0.68 -0.24 1.03 0.00 0.00 0.00 175.76 176.65 1rrl s ARG 221 N -2.09 1.26 0.55 0.00 1.81 -1.26 -4.88 118.95 114.33 1rrl s ARG 221 Ca 0.54 -1.26 -0.19 0.00 -1.72 0.00 0.00 55.73 53.10 1rrl s ARG 221 Cb -0.37 -1.62 -0.06 0.00 -0.45 0.00 0.00 34.95 32.46 1rrl s ARG 221 CO 0.47 0.38 1.14 -1.25 -0.68 0.00 0.00 175.30 175.36 1rrl s PRO 222 N -2.02 3.33 -0.18 3.54 0.04 -1.26 -4.82 135.00 133.64 1rrl s PRO 222 Ca 0.10 1.64 -0.29 0.00 0.04 0.00 0.00 61.00 62.49 1rrl s PRO 222 Cb -0.10 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1rrl s PRO 222 CO 0.05 -0.87 1.49 0.08 0.04 0.00 0.00 177.00 177.79 1rrl s VAL 223 N -1.75 3.88 -0.39 -0.36 1.01 -1.26 -4.83 120.40 116.70 1rrl s VAL 223 Ca 0.73 1.03 -0.19 0.00 0.00 0.00 0.00 61.98 63.55 1rrl s VAL 223 Cb -0.25 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.36 1rrl s VAL 223 CO 0.28 -0.23 0.55 -0.76 0.00 0.00 0.00 175.10 174.93 1rrl s LEU 224 N 4.41 4.47 0.00 3.92 1.43 -0.46 -4.83 118.68 127.62 1rrl s LEU 224 Ca 0.66 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 1rrl s LEU 224 Cb -0.25 -2.61 0.00 0.00 0.03 0.00 0.00 46.19 43.37 1rrl s LEU 224 CO 0.25 -0.59 0.00 0.61 0.23 0.00 0.00 176.35 176.84 1rrl n GLY 225 N 4.91 3.24 1.98 -3.19 0.00 0.13 -2.13 105.19 110.14 1rrl n GLY 225 Ca -0.04 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.70 0.77 3.27 -0.02 0.00 -1.26 -4.86 105.19 102.39 1rrl n GLY 226 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.56 -0.09 0.36 1.61 2.20 -1.26 -5.05 114.94 110.15 1rrl s ASN 227 Ca 0.00 -0.45 0.21 0.00 -0.94 0.00 0.00 52.86 51.68 1rrl s ASN 227 Cb 0.00 0.42 0.22 0.00 -2.00 0.00 0.00 41.25 39.89 1rrl s ASN 227 CO 0.00 -0.80 1.48 0.44 -2.94 0.00 0.00 177.10 175.28 1rrl h ASP 228 N 2.53 0.00 0.11 3.54 3.32 -1.98 -2.19 116.42 121.75 1rrl h ASP 228 Ca -0.34 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.51 1rrl h ASP 228 Cb 1.23 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.79 1rrl h ASP 228 CO 0.51 0.13 -0.94 0.74 -1.72 0.00 0.00 179.24 177.95 1rrl h THR 229 N 0.00 1.37 -2.14 0.35 2.02 -1.99 -3.39 112.91 109.12 1rrl h THR 229 Ca -0.01 -2.46 -0.58 0.00 0.77 0.00 0.00 66.41 64.13 1rrl h THR 229 Cb 1.10 3.03 -0.41 0.00 -1.74 0.00 0.00 68.15 70.13 1rrl h THR 229 CO 0.02 0.68 -0.76 0.49 0.37 0.00 0.00 175.52 176.32 1rrl n PHE 230 N -4.13 2.50 -2.11 3.16 3.72 -1.23 -4.58 117.46 114.80 1rrl n PHE 230 Ca -0.18 -3.97 -0.35 0.00 -0.05 0.00 0.00 57.45 52.90 1rrl n PHE 230 Cb 0.81 -0.49 0.02 0.00 -0.94 0.00 0.00 39.48 38.88 1rrl n PHE 230 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1rrl s PRO 231 N -2.25 3.13 0.02 -1.08 0.02 -0.82 0.19 135.00 134.20 1rrl s PRO 231 Ca 0.40 1.71 -0.24 0.00 0.02 0.00 0.00 61.00 62.89 1rrl s PRO 231 Cb 0.18 -1.96 0.06 0.00 0.02 0.00 0.00 34.50 32.79 1rrl s PRO 231 CO -0.05 -1.05 0.55 -0.47 -0.33 0.00 0.00 177.00 175.65 1rrl s TYR 232 N -1.70 -0.48 0.59 6.54 5.04 -1.26 -4.46 117.35 121.62 1rrl s TYR 232 Ca 0.75 0.64 -0.19 0.00 -2.44 0.00 0.00 57.07 55.82 1rrl s TYR 232 Cb -0.27 0.36 -0.03 0.00 0.35 0.00 0.00 41.96 42.36 1rrl s TYR 232 CO 0.31 -0.63 1.27 -1.25 -1.34 0.00 0.00 175.55 173.91 1rrl s PRO 233 N -2.08 2.90 0.94 4.97 0.04 -1.26 -4.63 135.00 135.87 1rrl s PRO 233 Ca -0.07 2.01 -0.12 0.00 0.04 0.00 0.00 61.00 62.86 1rrl s PRO 233 Cb -0.01 -2.00 0.15 0.00 0.04 0.00 0.00 34.50 32.68 1rrl s PRO 233 CO 0.01 -1.31 1.09 1.03 0.04 0.00 0.00 177.00 177.87 1rrl s ARG 234 N -3.21 0.94 0.23 4.56 1.81 -1.07 -4.67 118.95 117.54 1rrl s ARG 234 Ca 0.77 0.67 0.03 0.00 -1.72 0.00 0.00 55.73 55.48 1rrl s ARG 234 Cb -0.35 -1.78 -0.05 0.00 -0.45 0.00 0.00 34.95 32.31 1rrl s ARG 234 CO 0.39 -2.42 0.02 -0.98 -0.68 0.00 0.00 175.30 171.63 1rrl s ARG 235 N -4.97 1.33 0.33 3.54 1.04 0.23 -4.31 118.95 116.14 1rrl s ARG 235 Ca 0.64 -1.69 -0.29 0.00 -1.04 0.00 0.00 55.73 53.35 1rrl s ARG 235 Cb -0.18 -0.50 -0.12 0.00 -2.04 0.00 0.00 34.95 32.12 1rrl s ARG 235 CO 0.57 -0.15 1.50 0.41 -0.04 0.00 0.00 175.30 177.59 1rrl n GLY 236 N -0.42 1.14 3.74 3.88 0.00 -1.26 -0.51 105.19 111.77 1rrl n GLY 236 Ca -0.04 0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.96 1rrl n GLY 236 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1rrl s ARG 237 N -1.30 4.61 0.24 1.61 3.52 -0.07 -4.57 118.95 122.99 1rrl s ARG 237 Ca 0.59 1.75 0.11 0.00 -0.13 0.00 0.00 55.73 58.05 1rrl s ARG 237 Cb -0.51 -3.25 -0.05 0.00 -1.56 0.00 0.00 34.95 29.59 1rrl s ARG 237 CO 0.56 0.13 -0.19 0.95 -0.81 0.00 0.00 175.30 175.94 1rrl s THR 238 N -0.55 2.59 -1.78 4.11 -4.23 -1.26 -4.84 115.64 109.68 1rrl s THR 238 Ca 0.48 -2.16 0.16 0.00 -1.18 0.00 0.00 61.69 58.98 1rrl s THR 238 Cb -0.30 -2.31 0.50 0.00 1.34 0.00 0.00 72.50 71.72 1rrl s THR 238 CO 0.37 -0.27 1.40 0.61 -0.54 0.00 0.00 174.62 176.19 1rrl n GLY 239 N -0.27 1.69 3.68 3.99 0.00 -1.26 -4.77 105.19 108.25 1rrl n GLY 239 Ca -0.08 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.42 0.99 0.55 1.61 0.52 -1.26 -3.97 118.95 115.96 1rrl s ARG 240 Ca 0.37 0.95 -0.20 0.00 -0.52 0.00 0.00 55.73 56.33 1rrl s ARG 240 Cb 0.21 -1.77 -0.05 0.00 0.52 0.00 0.00 34.95 33.85 1rrl s ARG 240 CO 0.23 -2.46 1.15 -1.59 0.02 0.00 0.00 175.30 172.65 1rrl s LYS 241 N -4.83 3.30 0.66 3.54 -2.85 -1.26 -4.75 119.74 113.55 1rrl s LYS 241 Ca 0.64 1.67 -0.17 0.00 -1.00 0.00 0.00 55.97 57.11 1rrl s LYS 241 Cb -0.20 -2.01 -0.03 0.00 -2.06 0.00 0.00 37.83 33.53 1rrl s LYS 241 CO 0.58 -0.90 0.92 -2.30 0.10 0.00 0.00 175.35 173.75 1rrl n PRO 242 N -1.31 0.69 -1.48 1.78 -0.02 -1.26 -1.11 135.00 132.29 1rrl n PRO 242 Ca 0.12 0.28 -0.33 0.00 -2.02 0.00 0.00 63.50 61.55 1rrl n PRO 242 Cb 0.50 -2.15 0.08 0.00 -0.02 0.00 0.00 33.50 31.92 1rrl n PRO 242 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1rrl s THR 243 N -1.65 2.71 0.19 3.45 -4.23 -0.74 -4.42 115.64 110.95 1rrl s THR 243 Ca 0.75 0.32 -0.08 0.00 -1.18 0.00 0.00 61.69 61.50 1rrl s THR 243 Cb -0.38 -2.82 0.06 0.00 1.34 0.00 0.00 72.50 70.70 1rrl s THR 243 CO 0.49 -0.21 1.64 0.03 -0.54 0.00 0.00 174.62 176.02 1rrl h ARG 244 N -0.37 1.03 0.04 3.99 3.08 -1.93 -3.30 114.38 116.91 1rrl h ARG 244 Ca -0.47 -0.34 -0.25 0.00 0.07 0.00 0.00 59.98 58.99 1rrl h ARG 244 Cb 1.27 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 31.25 1rrl h ARG 244 CO 0.51 1.03 -1.05 -0.22 -1.07 0.00 0.00 179.97 179.16 1rrl h LYS 245 N 0.93 0.49 -3.96 0.04 1.63 -1.92 -3.42 116.57 110.36 1rrl h LYS 245 Ca 0.16 -0.58 -0.56 0.00 -0.85 0.00 0.00 60.65 58.82 1rrl h LYS 245 Cb 0.59 0.18 -0.39 0.00 -0.60 0.00 0.00 32.23 32.01 1rrl h LYS 245 CO 0.04 1.21 -0.78 0.34 -3.45 0.00 0.00 179.45 176.81 1rrl s ASP 246 N -7.19 3.29 0.06 4.20 3.68 -1.24 -4.97 116.67 114.49 1rrl s ASP 246 Ca -0.07 -0.95 0.12 0.00 2.13 0.00 0.00 52.55 53.77 1rrl s ASP 246 Cb 0.08 -0.88 0.51 0.00 -1.45 0.00 0.00 42.92 41.18 1rrl s ASP 246 CO 0.89 -0.26 1.36 -0.81 0.13 0.00 0.00 175.17 176.48 1rrl n PRO 247 N 4.87 0.04 0.00 4.34 -0.04 -1.26 -1.55 135.00 141.40 1rrl n PRO 247 Ca -0.11 0.38 0.13 0.00 -0.04 0.00 0.00 63.50 63.86 1rrl n PRO 247 Cb 0.46 -1.58 0.29 0.00 -0.04 0.00 0.00 33.50 32.62 1rrl n PRO 247 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1rrl n ASN 248 N -1.65 1.84 -4.62 3.54 3.02 -1.26 -4.84 115.26 111.30 1rrl n ASN 248 Ca 0.02 -1.47 -0.27 0.00 -0.03 0.00 0.00 54.58 52.82 1rrl n ASN 248 Cb 0.11 0.12 -0.09 0.00 -0.61 0.00 0.00 39.78 39.32 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 -2.21 4.52 -0.14 6.41 0.01 -0.59 -4.82 113.70 116.88 1rrl s SER 249 Ca 0.29 -0.47 -0.09 0.00 1.31 0.00 0.00 55.95 56.99 1rrl s SER 249 Cb 0.20 -0.88 -0.04 0.00 0.21 0.00 0.00 66.02 65.50 1rrl s SER 249 CO 0.42 0.11 0.16 -0.70 0.41 0.00 0.00 173.24 173.64 1rrl s GLU 250 N -2.80 3.73 0.55 12.44 2.12 -0.06 -1.79 118.70 132.89 1rrl s GLU 250 Ca 0.26 -0.11 -0.20 0.00 0.36 0.00 0.00 54.97 55.28 1rrl s GLU 250 Cb -0.09 -3.27 -0.06 0.00 0.26 0.00 0.00 34.13 30.97 1rrl s GLU 250 CO 0.17 0.61 1.06 -1.13 -0.54 0.00 0.00 175.26 175.43 1rrl n SER 251 N 2.48 1.31 -4.85 -1.70 3.41 -0.27 -4.62 113.62 109.38 1rrl n SER 251 Ca -0.18 0.89 -0.33 0.00 -0.26 0.00 0.00 58.87 58.99 1rrl n SER 251 Cb 0.54 -1.43 -0.06 0.00 -0.26 0.00 0.00 64.21 63.00 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 -2.64 3.96 0.07 4.33 1.81 -1.26 -4.89 118.95 120.33 1rrl s ARG 252 Ca 0.72 0.55 -0.07 0.00 -1.72 0.00 0.00 55.73 55.21 1rrl s ARG 252 Cb -0.44 -2.58 -0.01 0.00 -0.45 0.00 0.00 34.95 31.47 1rrl s ARG 252 CO 0.50 0.25 0.14 0.45 -0.68 0.00 0.00 175.30 175.96 1rrl s SER 253 N -2.20 0.19 0.43 0.23 0.15 -1.26 -5.00 113.70 106.24 1rrl s SER 253 Ca 0.50 -0.67 0.25 0.00 0.70 0.00 0.00 55.95 56.73 1rrl s SER 253 Cb -0.11 0.29 0.53 0.00 -1.71 0.00 0.00 66.02 65.01 1rrl s SER 253 CO 0.19 -0.65 1.68 0.78 1.20 0.00 0.00 173.24 176.43 1rrl h ASN 254 N 3.04 0.00 -3.95 5.45 -0.26 -1.99 -3.42 115.58 114.44 1rrl h ASN 254 Ca -0.34 0.00 -0.67 0.00 -0.56 0.00 0.00 56.30 54.73 1rrl h ASN 254 Cb 1.18 0.00 -0.38 0.00 -1.06 0.00 0.00 38.32 38.06 1rrl h ASN 254 CO 0.56 0.00 -0.58 -1.81 -1.06 0.00 0.00 177.43 174.54 1rrl s ASP 255 N -5.96 4.84 -0.31 5.81 1.01 -1.26 -5.06 116.67 115.75 1rrl s ASP 255 Ca 0.07 -2.54 -0.13 0.00 0.71 0.00 0.00 52.55 50.66 1rrl s ASP 255 Cb 0.06 -1.72 -0.03 0.00 1.01 0.00 0.00 42.92 42.23 1rrl s ASP 255 CO 0.64 -0.37 0.26 -0.69 0.21 0.00 0.00 175.17 175.22 1rrl s VAL 256 N 0.38 5.26 0.34 -1.27 1.01 -1.26 -5.05 120.40 119.82 1rrl s VAL 256 Ca 0.13 0.10 -0.27 0.00 0.00 0.00 0.00 61.98 61.94 1rrl s VAL 256 Cb -0.22 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 1rrl s VAL 256 CO -0.04 0.11 1.11 -0.47 0.00 0.00 0.00 175.10 175.81 1rrl s TYR 257 N 1.83 3.35 0.03 5.22 6.14 -1.26 -4.99 117.35 127.67 1rrl s TYR 257 Ca 0.09 1.64 -0.01 0.00 0.64 0.00 0.00 57.07 59.43 1rrl s TYR 257 Cb -0.16 -3.28 -0.03 0.00 0.42 0.00 0.00 41.96 38.91 1rrl s TYR 257 CO 0.11 -0.80 -0.02 -0.48 0.64 0.00 0.00 175.55 175.00 1rrl s LEU 258 N -2.03 2.29 0.07 6.97 -0.00 -1.26 -4.86 118.68 119.86 1rrl s LEU 258 Ca 0.51 -0.66 -0.36 0.00 -0.00 0.00 0.00 54.13 53.62 1rrl s LEU 258 Cb -0.29 0.17 -0.16 0.00 -0.00 0.00 0.00 46.19 45.91 1rrl s LEU 258 CO 0.37 -0.41 1.44 -2.65 -0.00 0.00 0.00 176.35 175.10 1rrl n PRO 259 N 1.07 1.38 -0.29 1.48 -0.02 -1.26 -4.84 135.00 132.52 1rrl n PRO 259 Ca -0.20 0.50 0.11 0.00 -2.02 0.00 0.00 63.50 61.88 1rrl n PRO 259 Cb 0.57 -2.18 0.26 0.00 -0.02 0.00 0.00 33.50 32.14 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 5.18 0.24 0.00 -0.52 9.65 -1.44 0.22 114.38 127.70 1rrl h ARG 260 Ca -0.47 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 1rrl h ARG 260 Cb 1.32 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.84 1rrl h ARG 260 CO 0.82 0.16 0.00 -0.25 2.80 0.00 0.00 179.97 183.50 1rrl n ASP 261 N -5.19 0.00 -0.01 -3.80 8.00 -1.26 -2.78 116.55 111.51 1rrl n ASP 261 Ca 0.20 0.36 0.14 0.00 0.71 0.00 0.00 54.79 56.19 1rrl n ASP 261 Cb 0.62 -0.44 0.54 0.00 -0.02 0.00 0.00 41.12 41.83 1rrl n ASP 261 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1rrl n GLU 262 N -1.44 0.11 -3.72 -1.24 -0.58 0.06 -4.74 120.64 109.09 1rrl n GLU 262 Ca 0.06 -0.02 -0.37 0.00 -0.42 0.00 0.00 57.16 56.41 1rrl n GLU 262 Cb 0.20 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.45 1rrl n GLU 262 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rrl s ALA 263 N -2.91 3.29 -0.21 0.62 0.00 -1.12 -4.04 121.76 117.39 1rrl s ALA 263 Ca 0.16 -1.09 -0.10 0.00 0.00 0.00 0.00 51.96 50.93 1rrl s ALA 263 Cb 0.19 -2.19 -0.05 0.00 0.00 0.00 0.00 23.12 21.07 1rrl s ALA 263 CO 0.56 -0.46 0.14 -0.06 0.00 0.00 0.00 175.76 175.94 1rrl s PHE 264 N 1.57 3.40 0.77 0.00 0.40 -1.26 -5.07 117.98 117.79 1rrl s PHE 264 Ca 0.06 0.32 -0.07 0.00 -0.60 0.00 0.00 56.93 56.64 1rrl s PHE 264 Cb -0.15 -2.18 0.11 0.00 0.51 0.00 0.00 43.02 41.30 1rrl s PHE 264 CO 0.06 0.25 1.08 0.20 0.70 0.00 0.00 175.22 177.51 1rrl s GLY 265 N 0.48 1.72 0.05 4.36 0.00 -1.26 -5.07 107.32 107.60 1rrl s GLY 265 Ca 0.08 -1.16 -0.14 0.00 0.00 0.00 0.00 44.72 43.50 1rrl s GLY 265 CO -0.01 -0.63 0.32 0.30 0.00 0.00 0.00 173.10 173.08 1rrl s HIS 266 N -3.37 -0.12 -0.16 1.90 3.76 -0.73 -5.04 115.29 111.53 1rrl s HIS 266 Ca 0.65 -0.02 -0.04 0.00 -0.15 0.00 0.00 55.06 55.49 1rrl s HIS 266 Cb -0.08 0.11 -0.23 0.00 1.11 0.00 0.00 32.58 33.49 1rrl s HIS 266 CO 0.46 -0.52 0.19 -0.11 -0.85 0.00 0.00 174.74 173.91 1rrl n LEU 267 N 0.51 2.73 -4.80 0.89 7.94 -1.26 -4.22 117.00 118.80 1rrl n LEU 267 Ca -0.18 0.11 -0.38 0.00 -1.11 0.00 0.00 56.01 54.45 1rrl n LEU 267 Cb 0.60 -1.06 -0.06 0.00 0.53 0.00 0.00 43.42 43.43 1rrl n LEU 267 CO 0.21 0.88 0.13 -0.54 -1.11 0.00 0.00 177.39 176.95 1rrl s LYS 268 N -2.55 4.08 0.26 1.96 1.02 -1.26 -4.90 119.74 118.36 1rrl s LYS 268 Ca -0.26 0.43 0.07 0.00 0.02 0.00 0.00 55.97 56.22 1rrl s LYS 268 Cb 0.07 -3.29 0.34 0.00 -0.52 0.00 0.00 37.83 34.43 1rrl s LYS 268 CO 0.72 0.51 1.62 0.66 -0.92 0.00 0.00 175.35 177.94 1rrl h SER 269 N 5.37 0.19 0.20 2.83 4.64 -1.80 -2.34 113.55 122.64 1rrl h SER 269 Ca -0.48 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 1rrl h SER 269 Cb 1.20 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1rrl h SER 269 CO 0.66 0.70 0.00 0.77 -0.87 0.00 0.00 176.83 178.10 1rrl h SER 270 N 0.13 0.00 0.40 4.97 4.64 -1.81 -2.21 113.55 119.67 1rrl h SER 270 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rrl h SER 270 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1rrl h SER 270 CO 0.08 0.00 -0.29 0.47 -0.87 0.00 0.00 176.83 176.23 1rrl n ASP 271 N -2.30 0.67 -4.20 4.97 8.00 -0.88 -4.56 116.55 118.26 1rrl n ASP 271 Ca -0.01 -0.52 -0.41 0.00 0.71 0.00 0.00 54.79 54.57 1rrl n ASP 271 Cb 0.09 0.08 -0.02 0.00 -0.02 0.00 0.00 41.12 41.26 1rrl n ASP 271 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1rrl n PHE 272 N -1.05 3.68 0.09 1.24 3.01 -0.83 -4.77 117.46 118.83 1rrl n PHE 272 Ca 0.10 -2.55 -0.05 0.00 1.01 0.00 0.00 57.45 55.96 1rrl n PHE 272 Cb 0.33 -2.50 0.09 0.00 -0.01 0.00 0.00 39.48 37.40 1rrl n PHE 272 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1rrl h LEU 273 N 12.70 0.21 -1.04 4.37 3.38 -1.88 -1.97 115.31 131.08 1rrl h LEU 273 Ca 0.45 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1rrl h LEU 273 Cb 0.78 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1rrl h LEU 273 CO 1.62 0.83 0.47 0.71 0.09 0.00 0.00 178.44 182.16 1rrl h THR 274 N 0.12 1.24 -0.70 0.22 1.35 -1.94 0.46 112.91 113.66 1rrl h THR 274 Ca -0.02 -0.57 -0.07 0.00 -0.55 0.00 0.00 66.41 65.21 1rrl h THR 274 Cb 1.22 0.10 -0.03 0.00 -1.73 0.00 0.00 68.15 67.71 1rrl h THR 274 CO 0.10 0.26 0.17 0.22 -0.25 0.00 0.00 175.52 176.02 1rrl h TYR 275 N 1.15 1.17 -0.78 4.73 3.20 -1.86 0.15 116.97 124.73 1rrl h TYR 275 Ca 0.29 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1rrl h TYR 275 Cb 0.00 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 37.90 1rrl h TYR 275 CO 0.01 0.95 0.50 0.78 -1.64 0.00 0.00 178.16 178.76 1rrl h GLY 276 N 1.08 1.10 1.51 1.82 0.00 -0.59 0.33 103.07 108.33 1rrl h GLY 276 Ca 0.22 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 1rrl h GLY 276 CO 0.00 0.42 -0.23 1.41 0.00 0.00 0.00 176.54 178.14 1rrl h LEU 277 N 1.06 0.58 -0.42 3.11 4.07 0.40 -1.82 115.31 122.29 1rrl h LEU 277 Ca 0.28 -0.19 -0.17 0.00 0.08 0.00 0.00 57.88 57.88 1rrl h LEU 277 Cb -0.09 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.49 1rrl h LEU 277 CO -0.06 0.80 -0.54 0.50 -1.08 0.00 0.00 178.44 178.06 1rrl h LYS 278 N 0.51 0.71 -0.67 1.13 3.64 -0.13 -3.10 116.57 118.66 1rrl h LYS 278 Ca 0.08 -0.45 0.04 0.00 -1.27 0.00 0.00 60.65 59.04 1rrl h LYS 278 Cb 0.67 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.50 1rrl h LYS 278 CO 0.05 1.07 0.44 1.03 -2.27 0.00 0.00 179.45 179.77 1rrl h SER 279 N 0.55 0.68 -0.87 4.20 0.87 -0.15 -1.23 113.55 117.60 1rrl h SER 279 Ca 0.01 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1rrl h SER 279 Cb 1.12 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.88 1rrl h SER 279 CO 0.11 0.47 0.47 0.58 -0.53 0.00 0.00 176.83 177.93 1rrl h VAL 280 N 0.79 1.25 0.00 2.23 2.07 -1.26 -0.47 116.25 120.87 1rrl h VAL 280 Ca 0.27 -0.64 -0.16 0.00 0.82 0.00 0.00 66.70 66.99 1rrl h VAL 280 Cb 0.08 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 1rrl h VAL 280 CO -0.08 0.29 -0.95 0.28 0.02 0.00 0.00 177.57 177.13 1rrl h SER 281 N 1.22 0.00 0.00 0.57 0.02 -1.43 -0.83 113.55 113.09 1rrl h SER 281 Ca 0.31 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.24 1rrl h SER 281 Cb 0.04 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1rrl h SER 281 CO -0.05 0.67 -1.66 0.00 -1.14 0.00 0.00 176.83 174.66 1rrl n GLN 282 N -3.15 0.53 0.00 3.45 6.02 -0.50 -4.66 117.38 119.07 1rrl n GLN 282 Ca -0.03 -0.12 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 1rrl n GLN 282 Cb 0.83 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.76 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 -2.02 3.00 0.03 1.08 3.02 -0.28 -4.75 115.26 115.34 1rrl n ASN 283 Ca -0.04 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.49 1rrl n ASN 283 Cb 0.40 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.56 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 0.00 0.00 -0.48 2.41 2.07 -1.26 -3.14 116.25 115.84 1rrl h VAL 284 Ca 0.00 -0.62 0.05 0.00 0.82 0.00 0.00 66.70 66.94 1rrl h VAL 284 Cb 0.90 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 1rrl h VAL 284 CO 0.00 0.00 -0.28 -0.11 0.02 0.00 0.00 177.57 177.20 1rrl n LEU 285 N -4.14 -0.50 0.17 2.57 0.00 -0.32 -0.05 117.00 114.73 1rrl n LEU 285 Ca -0.02 0.86 0.02 0.00 0.00 0.00 0.00 56.01 56.87 1rrl n LEU 285 Cb 0.06 -0.12 0.30 0.00 0.00 0.00 0.00 43.42 43.66 1rrl n LEU 285 CO 0.05 -0.71 0.64 1.55 0.00 0.00 0.00 177.39 178.91 1rrl h PRO 286 N 0.00 0.00 0.00 1.96 0.13 -1.84 0.11 132.00 132.36 1rrl h PRO 286 Ca 0.09 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.04 1rrl h PRO 286 Cb 0.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.31 1rrl h PRO 286 CO -0.46 0.46 -0.83 -0.07 -0.23 0.00 0.00 178.00 176.87 1rrl h LEU 287 N 0.00 0.00 -0.12 1.56 3.38 -0.96 -2.59 115.31 116.58 1rrl h LEU 287 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1rrl h LEU 287 Cb 0.88 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.63 1rrl h LEU 287 CO 0.06 0.83 -0.46 0.25 0.09 0.00 0.00 178.44 179.21 1rrl h LEU 288 N 0.00 0.61 -0.20 1.67 5.85 -0.01 -3.21 115.31 120.01 1rrl h LEU 288 Ca -0.01 -0.62 0.06 0.00 0.84 0.00 0.00 57.88 58.14 1rrl h LEU 288 Cb 1.56 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 42.34 1rrl h LEU 288 CO 0.11 1.13 -0.31 -0.61 -0.34 0.00 0.00 178.44 178.42 1rrl h GLN 289 N 0.12 -0.33 -0.98 1.25 4.15 -0.83 -1.74 115.11 116.76 1rrl h GLN 289 Ca -0.02 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.51 1rrl h GLN 289 Cb 1.09 0.07 -0.12 0.00 0.21 0.00 0.00 27.48 28.74 1rrl h GLN 289 CO 0.10 -0.22 -0.56 0.45 -1.93 0.00 0.00 178.83 176.66 1rrl n SER 290 N -5.40 -1.01 0.25 -0.69 2.88 -0.98 0.43 113.62 109.09 1rrl n SER 290 Ca -0.02 1.74 0.07 0.00 -1.33 0.00 0.00 58.87 59.33 1rrl n SER 290 Cb 0.32 -0.24 0.60 0.00 -0.75 0.00 0.00 64.21 64.14 1rrl n SER 290 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rrl h ALA 291 N 0.55 1.87 0.01 -1.46 0.00 -1.34 0.47 119.26 119.37 1rrl h ALA 291 Ca 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1rrl h ALA 291 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1rrl h ALA 291 CO -0.92 0.09 -0.11 0.74 0.00 0.00 0.00 179.25 179.05 1rrl h PHE 292 N 0.00 0.09 -0.21 0.00 -1.00 -0.63 -1.91 116.94 113.28 1rrl h PHE 292 Ca -0.00 -0.06 -0.03 0.00 2.81 0.00 0.00 57.97 60.70 1rrl h PHE 292 Cb 0.12 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 1rrl h PHE 292 CO 0.00 0.93 0.03 -0.44 -1.61 0.00 0.00 178.31 177.22 1rrl h ASP 293 N -0.78 0.34 -2.64 2.17 3.32 0.70 -3.40 116.42 116.14 1rrl h ASP 293 Ca -0.02 -0.27 -0.23 0.00 0.02 0.00 0.00 57.03 56.54 1rrl h ASP 293 Cb 0.97 -0.09 0.11 0.00 0.22 0.00 0.00 39.33 40.53 1rrl h ASP 293 CO 0.02 0.53 0.10 0.18 -1.72 0.00 0.00 179.24 178.34 1rrl n LEU 294 N -4.72 0.00 -3.42 1.55 4.77 0.09 -4.98 117.00 110.30 1rrl n LEU 294 Ca -0.04 -0.69 -0.31 0.00 -0.03 0.00 0.00 56.01 54.95 1rrl n LEU 294 Cb 0.20 -0.57 -0.05 0.00 -2.33 0.00 0.00 43.42 40.68 1rrl n LEU 294 CO 0.37 -1.55 0.39 0.59 -1.33 0.00 0.00 177.39 175.85 1rrl n ASN 295 N -3.95 4.70 -0.02 -1.43 3.02 -1.26 -4.72 115.26 111.59 1rrl n ASN 295 Ca 0.09 -3.52 0.07 0.00 -0.03 0.00 0.00 54.58 51.18 1rrl n ASN 295 Cb 0.33 -0.78 -0.16 0.00 -0.61 0.00 0.00 39.78 38.56 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 0.57 0.07 -4.11 3.10 3.72 -0.74 -4.88 117.46 115.19 1rrl n PHE 296 Ca 0.31 0.02 -0.14 0.00 -0.05 0.00 0.00 57.45 57.59 1rrl n PHE 296 Cb 0.38 -0.63 -0.12 0.00 -0.94 0.00 0.00 39.48 38.16 1rrl n PHE 296 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1rrl s THR 297 N -3.29 0.57 0.35 4.37 -4.23 -1.09 -4.86 115.64 107.45 1rrl s THR 297 Ca -0.08 -0.86 -0.25 0.00 -1.18 0.00 0.00 61.69 59.32 1rrl s THR 297 Cb 0.12 -0.59 -0.13 0.00 1.34 0.00 0.00 72.50 73.24 1rrl s THR 297 CO 0.89 -0.22 0.74 -0.81 -0.54 0.00 0.00 174.62 174.68 1rrl n PRO 298 N 1.88 0.82 0.07 3.99 -0.04 -1.26 -4.65 135.00 135.81 1rrl n PRO 298 Ca -0.20 0.29 -0.07 0.00 -0.04 0.00 0.00 63.50 63.48 1rrl n PRO 298 Cb 0.56 -1.60 0.07 0.00 -0.04 0.00 0.00 33.50 32.48 1rrl n PRO 298 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rrl h ARG 299 N 1.28 0.30 -6.23 0.54 2.47 -1.96 -3.47 114.38 107.31 1rrl h ARG 299 Ca -0.39 -0.23 -0.60 0.00 -1.26 0.00 0.00 59.98 57.51 1rrl h ARG 299 Cb 1.38 0.04 -0.16 0.00 -1.65 0.00 0.00 29.97 29.59 1rrl h ARG 299 CO 0.56 0.87 -0.78 -1.21 0.56 0.00 0.00 179.97 179.97 1rrl s GLU 300 N -3.64 1.55 0.15 0.04 0.41 -1.26 -4.04 118.70 111.91 1rrl s GLU 300 Ca -0.04 -1.64 -0.30 0.00 -0.41 0.00 0.00 54.97 52.57 1rrl s GLU 300 Cb 0.11 -1.68 -0.07 0.00 -1.78 0.00 0.00 34.13 30.72 1rrl s GLU 300 CO 0.82 0.33 1.03 -0.06 -0.49 0.00 0.00 175.26 176.88 1rrl s PHE 301 N -2.27 3.72 -0.15 1.61 0.08 -1.26 -4.97 117.98 114.74 1rrl s PHE 301 Ca 0.25 1.71 0.18 0.00 0.12 0.00 0.00 56.93 59.18 1rrl s PHE 301 Cb -0.05 -3.16 -0.25 0.00 -0.57 0.00 0.00 43.02 38.99 1rrl s PHE 301 CO 0.12 -0.17 0.15 -0.25 -0.10 0.00 0.00 175.22 174.96 1rrl n ASP 302 N 2.57 0.34 -3.95 1.36 8.00 -1.26 -4.89 116.55 118.72 1rrl n ASP 302 Ca 0.02 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.41 1rrl n ASP 302 Cb 0.48 1.18 -0.07 0.00 -0.02 0.00 0.00 41.12 42.68 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 -5.10 0.27 0.28 -2.24 1.04 -1.26 -4.13 113.70 102.56 1rrl s SER 303 Ca -0.09 -1.27 0.11 0.00 0.48 0.00 0.00 55.95 55.18 1rrl s SER 303 Cb 0.07 0.50 0.39 0.00 0.10 0.00 0.00 66.02 67.09 1rrl s SER 303 CO 0.79 -1.02 1.63 -0.26 0.98 0.00 0.00 173.24 175.36 1rrl h PHE 304 N 2.40 0.00 -0.04 5.02 -1.00 -1.96 -2.78 116.94 118.58 1rrl h PHE 304 Ca -0.31 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.42 1rrl h PHE 304 Cb 1.25 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.80 1rrl h PHE 304 CO 0.60 0.59 -0.20 -0.44 -1.61 0.00 0.00 178.31 177.25 1rrl h ASP 305 N 0.00 0.06 -0.16 2.17 5.19 -1.98 -1.41 116.42 120.29 1rrl h ASP 305 Ca -0.01 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.31 1rrl h ASP 305 Cb 1.06 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.54 1rrl h ASP 305 CO 0.08 0.27 -0.16 -0.33 -3.12 0.00 0.00 179.24 175.97 1rrl h GLU 306 N 0.06 0.55 -0.37 3.56 5.08 -1.90 0.29 114.58 121.85 1rrl h GLU 306 Ca 0.01 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 1rrl h GLU 306 Cb 0.39 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1rrl h GLU 306 CO 0.03 0.70 0.03 0.28 -1.00 0.00 0.00 179.01 179.04 1rrl h VAL 307 N 0.50 1.25 0.00 3.13 2.07 -1.34 -2.95 116.25 118.91 1rrl h VAL 307 Ca 0.09 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 1rrl h VAL 307 Cb 0.57 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1rrl h VAL 307 CO 0.04 0.31 -0.18 0.45 0.02 0.00 0.00 177.57 178.21 1rrl h HIS 308 N 0.46 0.00 0.00 1.57 3.86 -0.85 -2.43 115.15 117.76 1rrl h HIS 308 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1rrl h HIS 308 Cb 0.41 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1rrl h HIS 308 CO 0.03 0.18 0.00 0.41 0.86 0.00 0.00 177.93 179.41 1rrl n GLY 309 N -0.72 -1.04 0.21 2.45 0.00 0.97 -2.49 105.19 104.57 1rrl n GLY 309 Ca -0.02 0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.18 1rrl n GLY 309 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rrl h LEU 310 N 0.00 0.00 0.00 0.99 3.38 -1.51 0.36 115.31 118.53 1rrl h LEU 310 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1rrl h LEU 310 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1rrl h LEU 310 CO 0.00 0.28 -1.59 -1.22 0.09 0.00 0.00 178.44 176.00 1rrl n TYR 311 N -3.63 0.48 0.00 1.13 4.02 -1.04 -1.39 117.16 116.73 1rrl n TYR 311 Ca -0.01 0.14 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 1rrl n TYR 311 Cb 0.41 -0.78 0.00 0.00 -0.02 0.00 0.00 39.34 38.95 1rrl n TYR 311 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1rrl n SER 312 N -2.52 0.00 0.25 7.72 3.41 -1.21 -4.62 113.62 116.66 1rrl n SER 312 Ca -0.05 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.71 1rrl n SER 312 Cb 0.64 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 65.10 1rrl n SER 312 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1rrl h GLY 313 N 0.00 0.00 -0.55 5.00 0.00 -1.75 -3.48 103.07 102.28 1rrl h GLY 313 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 1rrl h GLY 313 CO 0.00 0.00 -0.09 0.61 0.00 0.00 0.00 176.54 177.06 1rrl n GLY 314 N 0.36 -2.17 3.53 4.60 0.00 0.12 -4.77 105.19 106.86 1rrl n GLY 314 Ca 0.02 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.12 4.67 -0.07 -0.61 2.07 -1.08 -4.73 121.20 120.34 1rrl s ILE 315 Ca 0.00 0.28 -0.29 0.00 -1.41 0.00 0.00 60.65 59.23 1rrl s ILE 315 Cb 0.00 -4.32 -0.07 0.00 0.13 0.00 0.00 42.46 38.20 1rrl s ILE 315 CO 0.00 -0.74 1.96 -0.75 -1.91 0.00 0.00 174.94 173.50 1rrl s LYS 316 N 3.21 3.85 0.06 3.50 2.20 -1.26 -2.58 119.74 128.72 1rrl s LYS 316 Ca 0.27 2.31 0.04 0.00 -0.36 0.00 0.00 55.97 58.23 1rrl s LYS 316 Cb -0.13 -4.18 -0.03 0.00 -1.51 0.00 0.00 37.83 31.98 1rrl s LYS 316 CO 0.21 -1.28 -0.12 -1.17 -0.36 0.00 0.00 175.35 172.63 1rrl s LEU 317 N 5.49 2.27 0.59 5.43 2.96 -1.25 -4.80 118.68 129.36 1rrl s LEU 317 Ca 0.88 -0.59 -0.19 0.00 -0.22 0.00 0.00 54.13 54.01 1rrl s LEU 317 Cb -0.37 -0.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.89 1rrl s LEU 317 CO 0.37 -0.12 1.21 -2.16 -1.32 0.00 0.00 176.35 174.34 1rrl s PRO 318 N -1.66 3.01 0.22 0.98 0.04 -1.26 -4.21 135.00 132.11 1rrl s PRO 318 Ca -0.05 1.84 -0.10 0.00 0.04 0.00 0.00 61.00 62.74 1rrl s PRO 318 Cb -0.10 -1.96 0.17 0.00 0.04 0.00 0.00 34.50 32.66 1rrl s PRO 318 CO 0.02 -1.18 1.89 1.79 0.04 0.00 0.00 177.00 179.55 1rrl h THR 319 N 0.94 1.20 -0.04 1.26 1.35 -1.98 -0.44 112.91 115.21 1rrl h THR 319 Ca -0.50 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1rrl h THR 319 Cb 1.30 0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1rrl h THR 319 CO 0.55 0.20 -0.02 -0.67 -0.25 0.00 0.00 175.52 175.32 1rrl n ASP 320 N -4.53 -0.04 0.22 5.36 4.64 -1.26 0.30 116.55 121.24 1rrl n ASP 320 Ca 0.08 0.73 0.12 0.00 -1.38 0.00 0.00 54.79 54.33 1rrl n ASP 320 Cb 0.02 -0.34 0.32 0.00 -1.04 0.00 0.00 41.12 40.08 1rrl n ASP 320 CO 0.00 0.00 0.00 0.16 -0.82 0.00 0.00 177.20 176.54 1rrl h ILE 321 N 0.00 0.20 0.00 5.18 -0.00 -1.85 -2.22 117.51 118.82 1rrl h ILE 321 Ca 0.01 -1.07 -0.07 0.00 -0.00 0.00 0.00 64.86 63.73 1rrl h ILE 321 Cb 0.02 1.90 -0.01 0.00 -0.00 0.00 0.00 36.82 38.73 1rrl h ILE 321 CO -0.04 0.10 -0.36 -0.29 -0.00 0.00 0.00 178.15 177.57 1rrl h ILE 322 N 0.00 0.72 0.00 0.16 6.09 -0.33 -2.50 117.51 121.65 1rrl h ILE 322 Ca -0.00 -1.62 0.00 0.00 -1.37 0.00 0.00 64.86 61.86 1rrl h ILE 322 Cb 0.90 2.06 0.00 0.00 0.47 0.00 0.00 36.82 40.25 1rrl h ILE 322 CO 0.01 0.35 0.00 -1.20 -3.07 0.00 0.00 178.15 174.24 1rrl n SER 323 N -3.35 0.08 -0.08 2.19 7.64 0.15 -2.61 113.62 117.63 1rrl n SER 323 Ca 0.01 0.52 0.02 0.00 1.01 0.00 0.00 58.87 60.42 1rrl n SER 323 Cb 0.57 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1rrl n SER 323 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1rrl n LYS 324 N -1.58 1.82 0.00 1.43 5.02 -0.96 -4.49 118.16 119.39 1rrl n LYS 324 Ca 0.04 -0.45 0.06 0.00 -2.02 0.00 0.00 58.31 55.95 1rrl n LYS 324 Cb 0.22 -0.91 -0.06 0.00 -0.02 0.00 0.00 35.03 34.26 1rrl n LYS 324 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1rrl n ILE 325 N -0.26 0.00 0.61 -0.18 -5.35 -1.10 -4.67 119.36 108.40 1rrl n ILE 325 Ca 0.01 -0.22 0.10 0.00 -0.27 0.00 0.00 62.75 62.38 1rrl n ILE 325 Cb 0.07 1.03 -0.12 0.00 -1.74 0.00 0.00 39.64 38.87 1rrl n ILE 325 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1rrl n SER 326 N -1.12 0.61 -1.28 7.28 3.41 -1.07 -4.11 113.62 117.34 1rrl n SER 326 Ca 0.03 -0.57 0.08 0.00 -0.26 0.00 0.00 58.87 58.14 1rrl n SER 326 Cb 0.22 1.33 0.28 0.00 -0.26 0.00 0.00 64.21 65.78 1rrl n SER 326 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1rrl n PRO 327 N -1.81 3.03 -2.34 4.33 -0.04 -1.26 -4.84 135.00 132.06 1rrl n PRO 327 Ca 0.01 -2.24 -0.43 0.00 -0.04 0.00 0.00 63.50 60.81 1rrl n PRO 327 Cb 0.42 -1.71 -0.02 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.46 4.24 0.03 1.53 1.43 -1.26 -4.96 118.68 118.24 1rrl s LEU 328 Ca 0.40 1.86 -0.05 0.00 -1.03 0.00 0.00 54.13 55.31 1rrl s LEU 328 Cb 0.25 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.91 1rrl s LEU 328 CO 0.21 -0.74 0.57 -2.65 0.23 0.00 0.00 176.35 173.97 1rrl n PRO 329 N 6.15 -0.07 0.08 1.29 -0.02 -1.26 -2.29 135.00 138.87 1rrl n PRO 329 Ca 0.14 0.57 -0.21 0.00 -2.02 0.00 0.00 63.50 61.97 1rrl n PRO 329 Cb 0.45 -0.84 -0.15 0.00 -0.02 0.00 0.00 33.50 32.94 1rrl n PRO 329 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1rrl h VAL 330 N 0.00 1.05 0.00 -1.45 2.07 -1.91 -3.38 116.25 112.63 1rrl h VAL 330 Ca 0.03 -2.64 0.00 0.00 0.82 0.00 0.00 66.70 64.91 1rrl h VAL 330 Cb 0.07 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1rrl h VAL 330 CO -0.16 0.84 0.00 -0.07 0.02 0.00 0.00 177.57 178.20 1rrl h LEU 331 N 0.10 0.00 -1.47 2.57 4.07 -1.87 -1.99 115.31 116.72 1rrl h LEU 331 Ca -0.30 0.00 0.16 0.00 0.08 0.00 0.00 57.88 57.83 1rrl h LEU 331 Cb 2.07 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 43.75 1rrl h LEU 331 CO 0.18 0.00 0.55 0.50 -1.08 0.00 0.00 178.44 178.59 1rrl h LYS 332 N 0.00 0.48 0.00 1.13 1.63 -1.63 0.33 116.57 118.51 1rrl h LYS 332 Ca 0.00 -0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 59.65 1rrl h LYS 332 Cb 0.23 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 1rrl h LYS 332 CO 0.00 0.32 -0.74 1.49 -3.45 0.00 0.00 179.45 177.07 1rrl h GLU 333 N 0.50 0.00 0.00 1.90 4.57 -1.66 -3.30 114.58 116.59 1rrl h GLU 333 Ca 0.43 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.61 1rrl h GLU 333 Cb 0.91 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1rrl h GLU 333 CO -0.17 0.46 -0.79 0.44 -1.18 0.00 0.00 179.01 177.78 1rrl n ILE 334 N -3.14 0.02 -5.19 2.32 -6.64 -0.67 -4.84 119.36 101.21 1rrl n ILE 334 Ca -0.01 -0.03 -0.32 0.00 -1.77 0.00 0.00 62.75 60.63 1rrl n ILE 334 Cb 0.76 0.58 -0.16 0.00 -1.44 0.00 0.00 39.64 39.38 1rrl n ILE 334 CO 0.00 0.00 0.00 -0.36 -1.77 0.00 0.00 176.55 174.42 1rrl s PHE 335 N -3.02 2.51 -0.18 4.28 0.08 0.11 -4.83 117.98 116.93 1rrl s PHE 335 Ca 0.09 -0.76 -0.11 0.00 0.12 0.00 0.00 56.93 56.27 1rrl s PHE 335 Cb 0.16 -1.65 -0.05 0.00 -0.57 0.00 0.00 43.02 40.92 1rrl s PHE 335 CO 0.79 -0.24 0.17 1.03 -0.10 0.00 0.00 175.22 176.87 1rrl s ARG 336 N -0.04 4.12 -0.26 0.44 3.00 -1.20 -4.70 118.95 120.30 1rrl s ARG 336 Ca -0.07 -0.13 0.03 0.00 0.00 0.00 0.00 55.73 55.56 1rrl s ARG 336 Cb -0.15 -3.39 0.06 0.00 0.00 0.00 0.00 34.95 31.48 1rrl s ARG 336 CO 0.05 0.35 -0.08 0.99 0.00 0.00 0.00 175.30 176.61 1rrl s THR 337 N 0.21 2.03 0.52 0.02 2.01 -1.26 -2.34 115.64 116.83 1rrl s THR 337 Ca 0.11 -1.63 0.18 0.00 0.31 0.00 0.00 61.69 60.66 1rrl s THR 337 Cb -0.12 -2.22 0.27 0.00 0.01 0.00 0.00 72.50 70.45 1rrl s THR 337 CO 0.00 -0.12 2.14 -2.24 -0.69 0.00 0.00 174.62 173.72 1rrl h ASP 338 N 7.79 0.00 0.00 3.53 3.04 -1.98 -3.47 116.42 125.34 1rrl h ASP 338 Ca -0.17 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.62 1rrl h ASP 338 Cb 1.04 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.33 1rrl h ASP 338 CO 0.46 0.03 0.00 0.61 -2.04 0.00 0.00 179.24 178.30 1rrl n GLY 339 N -1.41 -1.96 0.00 7.15 0.00 -1.26 -5.10 105.19 102.61 1rrl n GLY 339 Ca -0.03 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1rrl n GLY 339 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rrl n GLU 340 N 0.00 0.00 -0.32 1.61 1.02 -1.26 -4.89 120.64 116.80 1rrl n GLU 340 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 1rrl n GLU 340 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 1rrl n GLU 340 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1rrl n GLN 341 N -0.02 0.81 -3.65 3.49 6.02 -1.26 -4.79 117.38 117.98 1rrl n GLN 341 Ca 0.00 -0.91 -0.06 0.00 -0.01 0.00 0.00 57.00 56.02 1rrl n GLN 341 Cb 0.00 -2.21 -0.07 0.00 1.02 0.00 0.00 30.24 28.98 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 4.50 -1.74 -0.33 -1.58 0.00 -1.26 -3.86 121.76 117.49 1rrl s ALA 342 Ca 0.19 2.19 0.01 0.00 0.00 0.00 0.00 51.96 54.35 1rrl s ALA 342 Cb 0.05 -1.45 0.10 0.00 0.00 0.00 0.00 23.12 21.82 1rrl s ALA 342 CO 0.01 -0.55 0.10 -1.17 0.00 0.00 0.00 175.76 174.14 1rrl s LEU 343 N 2.05 2.89 0.03 0.00 2.96 -1.07 -4.48 118.68 121.06 1rrl s LEU 343 Ca -0.08 -1.87 -0.00 0.00 -0.22 0.00 0.00 54.13 51.96 1rrl s LEU 343 Cb -0.08 -1.07 -0.04 0.00 0.50 0.00 0.00 46.19 45.50 1rrl s LEU 343 CO -0.18 -0.39 0.13 -0.54 -1.32 0.00 0.00 176.35 174.05 1rrl s LYS 344 N 1.31 3.19 0.03 1.98 1.02 -0.99 -2.63 119.74 123.65 1rrl s LYS 344 Ca 0.11 -0.49 0.02 0.00 0.02 0.00 0.00 55.97 55.63 1rrl s LYS 344 Cb -0.18 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.17 1rrl s LYS 344 CO -0.18 0.63 0.02 -0.06 -0.92 0.00 0.00 175.35 174.83 1rrl s PHE 345 N -1.34 3.10 0.36 3.18 0.08 -0.49 -3.21 117.98 119.65 1rrl s PHE 345 Ca 0.28 0.07 -0.28 0.00 0.12 0.00 0.00 56.93 57.12 1rrl s PHE 345 Cb -0.12 -1.64 -0.10 0.00 -0.57 0.00 0.00 43.02 40.59 1rrl s PHE 345 CO 0.20 0.48 1.31 -2.14 -0.10 0.00 0.00 175.22 174.97 1rrl s PRO 346 N -1.89 4.23 -0.27 0.24 0.02 -1.26 -4.15 135.00 131.93 1rrl s PRO 346 Ca 0.23 2.20 -0.39 0.00 0.02 0.00 0.00 61.00 63.06 1rrl s PRO 346 Cb -0.12 -2.97 -0.15 0.00 0.02 0.00 0.00 34.50 31.29 1rrl s PRO 346 CO 0.14 -0.29 1.80 -2.30 -0.33 0.00 0.00 177.00 176.03 1rrl n PRO 347 N 0.58 1.26 -2.26 5.54 -0.02 -1.26 -4.90 135.00 133.94 1rrl n PRO 347 Ca 0.01 0.46 -0.41 0.00 -2.02 0.00 0.00 63.50 61.54 1rrl n PRO 347 Cb 0.42 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 1rrl n PRO 347 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1rrl s PRO 348 N 3.84 4.44 0.63 0.52 0.02 -1.26 -4.94 135.00 138.26 1rrl s PRO 348 Ca 0.99 2.03 0.32 0.00 0.02 0.00 0.00 61.00 64.36 1rrl s PRO 348 Cb -1.02 -3.16 1.77 0.00 0.02 0.00 0.00 34.50 32.11 1rrl s PRO 348 CO 0.63 -0.11 2.06 -0.22 -0.33 0.00 0.00 177.00 179.03 1rrl h LYS 349 N 4.43 0.00 0.00 5.54 3.64 -1.84 -1.46 116.57 126.89 1rrl h LYS 349 Ca -0.46 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 1rrl h LYS 349 Cb 1.22 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1rrl h LYS 349 CO 0.71 0.00 -0.11 -0.24 -2.27 0.00 0.00 179.45 177.54 1rrl h VAL 350 N 0.00 0.44 -0.17 2.00 3.04 -1.68 -3.12 116.25 116.77 1rrl h VAL 350 Ca 0.05 -0.56 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1rrl h VAL 350 Cb 0.54 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 1rrl h VAL 350 CO -0.00 0.11 0.00 2.30 -1.01 0.00 0.00 177.57 178.97 1rrl n ILE 351 N -3.49 0.32 0.26 3.17 -6.64 -0.55 -4.53 119.36 107.89 1rrl n ILE 351 Ca -0.01 -0.66 0.14 0.00 -1.77 0.00 0.00 62.75 60.45 1rrl n ILE 351 Cb 0.26 1.07 0.62 0.00 -1.44 0.00 0.00 39.64 40.15 1rrl n ILE 351 CO 0.00 0.00 0.00 1.56 -1.77 0.00 0.00 176.55 176.34 1rrl h GLN 352 N 3.07 0.00 0.00 6.28 4.20 -1.57 -3.32 115.11 123.77 1rrl h GLN 352 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1rrl h GLN 352 Cb 0.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1rrl h GLN 352 CO 0.00 0.09 -0.74 0.28 -0.67 0.00 0.00 178.83 177.79 1rrl n VAL 353 N -3.25 1.20 -5.13 -0.54 0.31 -1.26 -5.03 118.33 104.64 1rrl n VAL 353 Ca 0.00 0.22 -0.29 0.00 -0.01 0.00 0.00 64.34 64.26 1rrl n VAL 353 Cb 0.34 -2.19 -0.16 0.00 -0.91 0.00 0.00 33.84 30.92 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 -5.50 2.78 0.07 4.52 0.15 -1.25 -5.00 113.70 109.47 1rrl s SER 354 Ca -0.22 -0.44 0.23 0.00 0.70 0.00 0.00 55.95 56.22 1rrl s SER 354 Cb 0.03 -0.30 -0.01 0.00 -1.71 0.00 0.00 66.02 64.03 1rrl s SER 354 CO 0.32 0.28 0.96 0.29 1.20 0.00 0.00 173.24 176.29 1rrl n LYS 355 N 2.41 0.41 -0.03 5.44 4.76 -1.26 -4.22 118.16 125.68 1rrl n LYS 355 Ca -0.16 -0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.25 1rrl n LYS 355 Cb 0.52 -1.64 -0.03 0.00 -1.84 0.00 0.00 35.03 32.04 1rrl n LYS 355 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1rrl n SER 356 N -2.17 3.71 0.12 4.39 3.41 -1.26 -4.63 113.62 117.20 1rrl n SER 356 Ca 0.01 -0.02 0.13 0.00 -0.26 0.00 0.00 58.87 58.73 1rrl n SER 356 Cb 0.48 0.21 0.27 0.00 -0.26 0.00 0.00 64.21 64.92 1rrl n SER 356 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rrl h ALA 357 N 0.10 2.30 -0.55 7.33 0.00 -1.90 0.46 119.26 127.00 1rrl h ALA 357 Ca -0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1rrl h ALA 357 Cb 1.23 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1rrl h ALA 357 CO -0.01 -1.20 0.23 0.11 0.00 0.00 0.00 179.25 178.38 1rrl h TRP 358 N 0.00 0.79 0.00 0.00 5.08 -1.83 -2.77 115.95 117.22 1rrl h TRP 358 Ca 0.19 -0.04 0.00 0.00 1.08 0.00 0.00 58.89 60.12 1rrl h TRP 358 Cb 2.17 -0.25 0.00 0.00 -3.00 0.00 0.00 29.16 28.08 1rrl h TRP 358 CO 0.00 0.61 0.00 -1.33 -1.28 0.00 0.00 178.44 176.44 1rrl n MET 359 N -4.34 0.16 -2.57 0.12 2.81 0.15 -4.42 117.12 109.04 1rrl n MET 359 Ca 0.05 0.17 -0.34 0.00 -1.81 0.00 0.00 57.70 55.77 1rrl n MET 359 Cb 0.16 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.13 1rrl n MET 359 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1rrl s THR 360 N -2.64 3.94 0.30 2.03 -4.23 -1.04 -4.95 115.64 109.05 1rrl s THR 360 Ca 0.12 1.18 0.03 0.00 -1.18 0.00 0.00 61.69 61.84 1rrl s THR 360 Cb 0.09 -3.49 0.12 0.00 1.34 0.00 0.00 72.50 70.56 1rrl s THR 360 CO 0.21 -0.29 1.80 0.44 -0.54 0.00 0.00 174.62 176.25 1rrl h ASP 361 N 1.54 0.54 -0.50 3.99 3.32 -1.90 -2.83 116.42 120.58 1rrl h ASP 361 Ca -0.49 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 56.44 1rrl h ASP 361 Cb 1.21 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 1rrl h ASP 361 CO 0.59 0.67 0.33 -0.08 -1.72 0.00 0.00 179.24 179.03 1rrl h GLU 362 N 0.52 0.65 -0.40 3.56 4.81 -1.93 -2.44 114.58 119.34 1rrl h GLU 362 Ca 0.10 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 1rrl h GLU 362 Cb 0.47 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1rrl h GLU 362 CO 0.03 0.43 -0.07 1.49 -0.73 0.00 0.00 179.01 180.15 1rrl h GLU 363 N 0.67 0.68 0.19 1.92 4.57 -1.79 -0.16 114.58 120.66 1rrl h GLU 363 Ca 0.19 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1rrl h GLU 363 Cb -0.06 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.46 1rrl h GLU 363 CO -0.05 0.74 -0.11 0.35 -1.18 0.00 0.00 179.01 178.77 1rrl h PHE 364 N 0.63 -0.28 -0.33 0.92 3.57 -1.24 -1.33 116.94 118.88 1rrl h PHE 364 Ca 0.12 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 1rrl h PHE 364 Cb 0.49 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1rrl h PHE 364 CO 0.02 -0.17 -0.18 0.00 -2.23 0.00 0.00 178.31 175.75 1rrl h ALA 365 N 0.52 0.47 -0.25 2.41 0.00 -1.48 -3.27 119.26 117.66 1rrl h ALA 365 Ca -0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1rrl h ALA 365 Cb 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1rrl h ALA 365 CO 0.03 0.41 0.00 -0.09 0.00 0.00 0.00 179.25 179.60 1rrl h ARG 366 N 0.49 0.37 0.00 0.00 2.43 -0.98 -2.90 114.38 113.79 1rrl h ARG 366 Ca 0.07 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1rrl h ARG 366 Cb 0.73 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1rrl h ARG 366 CO 0.05 0.40 0.00 0.39 -1.51 0.00 0.00 179.97 179.30 1rrl n GLU 367 N -4.34 0.32 0.16 0.20 1.02 -0.51 -0.82 120.64 116.68 1rrl n GLU 367 Ca 0.01 0.06 0.07 0.00 -0.02 0.00 0.00 57.16 57.28 1rrl n GLU 367 Cb 0.20 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.20 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 -1.66 0.15 114.93 119.77 1rrl h MET 368 Ca 0.00 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 1rrl h MET 368 Cb 0.25 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1rrl h MET 368 CO 0.00 0.21 -1.64 1.28 1.06 0.00 0.00 176.91 177.83 1rrl n LEU 369 N -3.08 0.43 -0.33 1.22 4.77 0.00 -4.06 117.00 115.96 1rrl n LEU 369 Ca 0.02 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1rrl n LEU 369 Cb 0.64 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 1rrl n LEU 369 CO 0.38 0.04 0.21 0.00 -1.33 0.00 0.00 177.39 176.69 1rrl n ALA 370 N -2.33 1.67 -2.35 -1.18 0.00 -0.44 -3.17 120.51 112.70 1rrl n ALA 370 Ca -0.08 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1rrl n ALA 370 Cb 0.70 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 0.00 3.84 0.44 0.00 0.00 0.54 -4.90 105.19 105.10 1rrl n GLY 371 Ca 0.00 -2.01 0.24 0.00 0.00 0.00 0.00 46.02 44.25 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 0.27 -2.02 1.61 3.04 -1.80 -3.27 116.25 114.08 1rrl h VAL 372 Ca 0.00 0.00 -0.51 0.00 -1.01 0.00 0.00 66.70 65.18 1rrl h VAL 372 Cb 0.00 0.46 -0.34 0.00 -2.01 0.00 0.00 31.29 29.39 1rrl h VAL 372 CO 0.00 0.00 -0.92 -3.20 -1.01 0.00 0.00 177.57 172.44 1rrl n ASN 373 N -3.63 -0.88 -1.80 3.17 5.15 -1.26 -4.46 115.26 111.55 1rrl n ASN 373 Ca 0.13 -2.54 -0.11 0.00 -0.60 0.00 0.00 54.58 51.47 1rrl n ASN 373 Cb 0.92 -0.16 0.23 0.00 -0.53 0.00 0.00 39.78 40.24 1rrl n ASN 373 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1rrl n PRO 374 N 2.56 2.67 0.00 1.20 -0.04 -1.24 -4.26 135.00 135.89 1rrl n PRO 374 Ca 0.26 -3.07 0.00 0.00 -0.04 0.00 0.00 63.50 60.65 1rrl n PRO 374 Cb 0.51 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 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 -0.79 0.44 -0.12 3.54 4.05 -1.26 -4.57 115.26 116.56 1rrl n ASN 375 Ca 0.45 -0.82 -0.19 0.00 0.45 0.00 0.00 54.58 54.46 1rrl n ASN 375 Cb 1.37 0.15 -0.11 0.00 1.23 0.00 0.00 39.78 42.42 1rrl n ASN 375 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1rrl n LEU 376 N -0.15 2.76 -4.59 1.20 7.94 -1.26 -5.02 117.00 117.87 1rrl n LEU 376 Ca 0.00 -0.04 -0.42 0.00 -1.11 0.00 0.00 56.01 54.44 1rrl n LEU 376 Cb 0.08 -0.84 0.01 0.00 0.53 0.00 0.00 43.42 43.20 1rrl n LEU 376 CO 0.00 0.84 0.53 0.00 -1.11 0.00 0.00 177.39 177.65 1rrl n ILE 377 N -3.40 2.37 -4.67 1.96 3.06 -1.26 -4.88 119.36 112.54 1rrl n ILE 377 Ca -0.45 -0.50 -0.27 0.00 -2.50 0.00 0.00 62.75 59.04 1rrl n ILE 377 Cb 0.94 -1.08 -0.14 0.00 0.54 0.00 0.00 39.64 39.90 1rrl n ILE 377 CO 0.00 0.00 0.00 -0.60 -2.50 0.00 0.00 176.55 173.45 1rrl s ARG 378 N -1.95 1.46 -0.00 9.51 3.52 -0.62 -4.88 118.95 125.98 1rrl s ARG 378 Ca 0.63 -1.00 -0.30 0.00 -0.13 0.00 0.00 55.73 54.93 1rrl s ARG 378 Cb -0.57 -1.61 -0.03 0.00 -1.56 0.00 0.00 34.95 31.18 1rrl s ARG 378 CO 0.57 0.41 1.06 0.00 -0.81 0.00 0.00 175.30 176.52 1rrl s LEU 380 N 1.26 3.97 -0.04 0.00 2.96 -0.53 -4.81 118.68 121.48 1rrl s LEU 380 Ca 0.53 1.31 0.15 0.00 -0.22 0.00 0.00 54.13 55.91 1rrl s LEU 380 Cb -0.23 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.69 1rrl s LEU 380 CO 0.26 -0.96 0.29 0.29 -1.32 0.00 0.00 176.35 174.91 1rrl n LYS 381 N 7.05 0.68 -4.36 1.98 4.76 -1.26 -4.79 118.16 122.23 1rrl n LYS 381 Ca 0.14 -0.12 -0.21 0.00 -2.87 0.00 0.00 58.31 55.25 1rrl n LYS 381 Cb 0.46 -1.37 -0.08 0.00 -1.84 0.00 0.00 35.03 32.20 1rrl n LYS 381 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1rrl s ASP 382 N -3.99 1.95 -0.18 4.39 -4.77 -1.26 -5.00 116.67 107.81 1rrl s ASP 382 Ca -0.06 -1.71 -0.13 0.00 -3.30 0.00 0.00 52.55 47.35 1rrl s ASP 382 Cb 0.09 0.53 0.05 0.00 -1.09 0.00 0.00 42.92 42.51 1rrl s ASP 382 CO 0.64 -1.01 0.46 0.12 0.70 0.00 0.00 175.17 176.08 1rrl s PHE 383 N -3.42 -0.59 0.64 2.11 5.36 -1.26 -4.23 117.98 116.60 1rrl s PHE 383 Ca 0.35 1.33 -0.14 0.00 -0.96 0.00 0.00 56.93 57.50 1rrl s PHE 383 Cb 0.03 0.25 -0.01 0.00 -0.34 0.00 0.00 43.02 42.95 1rrl s PHE 383 CO 0.22 -0.31 1.08 -2.14 -1.46 0.00 0.00 175.22 172.61 1rrl s PRO 384 N 0.86 3.00 0.35 10.12 0.02 -1.26 -5.09 135.00 142.98 1rrl s PRO 384 Ca -0.05 1.24 -0.29 0.00 0.02 0.00 0.00 61.00 61.93 1rrl s PRO 384 Cb -0.06 -1.99 -0.11 0.00 0.02 0.00 0.00 34.50 32.37 1rrl s PRO 384 CO -0.07 -1.07 1.52 -2.14 -0.33 0.00 0.00 177.00 174.91 1rrl s PRO 385 N -4.26 4.12 0.26 5.54 0.02 -1.26 -4.80 135.00 134.63 1rrl s PRO 385 Ca 0.64 2.56 0.08 0.00 0.02 0.00 0.00 61.00 64.30 1rrl s PRO 385 Cb -0.18 -2.99 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 1rrl s PRO 385 CO 0.42 -0.55 0.09 1.03 -0.33 0.00 0.00 177.00 177.66 1rrl s ARG 386 N -1.53 2.60 0.17 5.54 0.52 -1.26 -1.86 118.95 123.13 1rrl s ARG 386 Ca 0.56 -1.24 -0.07 0.00 -0.52 0.00 0.00 55.73 54.46 1rrl s ARG 386 Cb -0.47 -2.36 -0.06 0.00 0.52 0.00 0.00 34.95 32.58 1rrl s ARG 386 CO 0.57 0.38 0.44 0.45 0.02 0.00 0.00 175.30 177.17 1rrl s SER 387 N -3.75 6.56 0.30 0.23 0.15 -1.24 -4.96 113.70 110.98 1rrl s SER 387 Ca 0.32 0.73 0.23 0.00 0.70 0.00 0.00 55.95 57.93 1rrl s SER 387 Cb -0.07 -2.15 0.14 0.00 -1.71 0.00 0.00 66.02 62.23 1rrl s SER 387 CO 0.22 0.02 1.27 0.11 1.20 0.00 0.00 173.24 176.06 1rrl h LYS 388 N 2.80 0.00 -6.64 5.44 1.79 -1.90 -3.40 116.57 114.66 1rrl h LYS 388 Ca -0.47 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.43 1rrl h LYS 388 Cb 1.17 0.00 0.17 0.00 -1.58 0.00 0.00 32.23 31.99 1rrl h LYS 388 CO 0.71 0.00 -0.18 1.28 -1.08 0.00 0.00 179.45 180.18 1rrl n LEU 389 N -2.83 1.98 0.00 2.94 4.77 -1.26 -4.94 117.00 117.66 1rrl n LEU 389 Ca 0.02 0.77 0.00 0.00 -0.03 0.00 0.00 56.01 56.76 1rrl n LEU 389 Cb 0.54 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 1rrl n LEU 389 CO 0.38 -2.56 0.00 -0.67 -1.33 0.00 0.00 177.39 173.20 1rrl n ASP 390 N -0.03 0.00 -0.24 -1.43 4.64 -1.26 -3.57 116.55 114.66 1rrl n ASP 390 Ca 0.13 0.00 0.14 0.00 -1.38 0.00 0.00 54.79 53.68 1rrl n ASP 390 Cb 0.47 0.00 0.57 0.00 -1.04 0.00 0.00 41.12 41.12 1rrl n ASP 390 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 1rrl n SER 391 N 0.00 0.85 -4.69 1.67 2.88 -1.26 -4.47 113.62 108.60 1rrl n SER 391 Ca 0.00 -0.96 -0.42 0.00 -1.33 0.00 0.00 58.87 56.16 1rrl n SER 391 Cb 0.00 0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.44 1rrl n SER 391 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rrl s GLN 392 N -2.30 4.43 0.00 -1.46 0.00 -1.26 -4.53 119.66 114.54 1rrl s GLN 392 Ca 0.32 1.35 -0.03 0.00 -0.00 0.00 0.00 55.36 57.01 1rrl s GLN 392 Cb 0.20 -3.53 -0.14 0.00 0.00 0.00 0.00 33.01 29.53 1rrl s GLN 392 CO 0.44 -0.28 2.25 1.33 0.00 0.00 0.00 175.29 179.03 1rrl n VAL 393 N 4.48 1.74 -0.67 3.63 0.24 -1.26 -3.76 118.33 122.74 1rrl n VAL 393 Ca 0.08 -0.83 0.00 0.00 -2.04 0.00 0.00 64.34 61.54 1rrl n VAL 393 Cb 0.49 -1.74 0.00 0.00 -1.47 0.00 0.00 33.84 31.12 1rrl n VAL 393 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rrl n TYR 394 N 2.58 0.00 1.20 6.34 0.18 -1.26 -2.43 117.16 123.77 1rrl n TYR 394 Ca 0.23 0.00 0.13 0.00 1.88 0.00 0.00 57.90 60.14 1rrl n TYR 394 Cb 0.53 0.00 0.33 0.00 -0.38 0.00 0.00 39.34 39.82 1rrl n TYR 394 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1rrl n GLY 395 N 0.03 -0.65 0.13 -7.48 0.00 -1.23 -1.85 105.19 94.14 1rrl n GLY 395 Ca 0.00 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 1rrl n GLY 395 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rrl n ASP 396 N -0.72 1.99 0.00 1.61 2.03 -1.26 -4.80 116.55 115.40 1rrl n ASP 396 Ca 0.11 -0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1rrl n ASP 396 Cb 0.35 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.23 1rrl n ASP 396 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1rrl n HIS 397 N -3.44 0.00 -2.17 -0.67 8.25 -1.02 -5.09 115.22 111.08 1rrl n HIS 397 Ca -0.45 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.01 1rrl n HIS 397 Cb 0.98 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.09 1rrl n HIS 397 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1rrl n THR 398 N 0.00 0.00 -2.73 1.59 -2.24 -0.77 -4.56 114.28 105.56 1rrl n THR 398 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 1rrl n THR 398 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 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 6.85 0.00 3.42 0.15 -0.78 -4.88 113.70 120.47 1rrl s SER 399 Ca 0.00 1.68 0.21 0.00 0.70 0.00 0.00 55.95 58.54 1rrl s SER 399 Cb 0.00 -2.54 -0.11 0.00 -1.71 0.00 0.00 66.02 61.67 1rrl s SER 399 CO 0.00 -0.42 0.95 0.00 1.20 0.00 0.00 173.24 174.97 1rrl n GLN 400 N -0.82 0.89 -1.71 5.44 1.13 -1.26 -4.82 117.38 116.23 1rrl n GLN 400 Ca 0.07 -0.52 -0.43 0.00 -1.94 0.00 0.00 57.00 54.19 1rrl n GLN 400 Cb 0.54 -1.44 -0.01 0.00 0.11 0.00 0.00 30.24 29.44 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 -0.70 1.79 -4.36 5.09 5.41 -1.26 -4.97 119.36 120.36 1rrl n ILE 401 Ca 0.06 -0.45 -0.18 0.00 1.00 0.00 0.00 62.75 63.19 1rrl n ILE 401 Cb 0.38 -1.64 -0.10 0.00 -0.71 0.00 0.00 39.64 37.57 1rrl n ILE 401 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1rrl s THR 402 N -0.88 0.96 0.38 1.39 -1.32 -1.26 -4.82 115.64 110.08 1rrl s THR 402 Ca 0.57 -2.02 0.10 0.00 -1.21 0.00 0.00 61.69 59.14 1rrl s THR 402 Cb -0.56 -2.54 0.13 0.00 -1.51 0.00 0.00 72.50 68.02 1rrl s THR 402 CO 0.60 -0.16 1.87 0.11 -2.21 0.00 0.00 174.62 174.83 1rrl h LYS 403 N 2.36 0.16 -0.04 7.08 1.57 -2.00 -2.99 116.57 122.71 1rrl h LYS 403 Ca -0.39 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.21 1rrl h LYS 403 Cb 1.23 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1rrl h LYS 403 CO 0.65 0.39 -0.60 0.93 -0.57 0.00 0.00 179.45 180.25 1rrl h GLU 404 N 0.15 0.13 -0.60 3.15 3.07 -1.97 -2.83 114.58 115.68 1rrl h GLU 404 Ca 0.03 -0.09 -0.09 0.00 -0.50 0.00 0.00 59.36 58.71 1rrl h GLU 404 Cb 0.50 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.40 1rrl h GLU 404 CO 0.03 0.69 0.02 0.45 -1.40 0.00 0.00 179.01 178.81 1rrl h HIS 405 N 0.10 1.12 -0.00 4.33 3.86 -1.93 -3.31 115.15 119.31 1rrl h HIS 405 Ca -0.01 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1rrl h HIS 405 Cb 1.08 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.26 1rrl h HIS 405 CO 0.01 0.98 -0.13 1.28 0.86 0.00 0.00 177.93 180.93 1rrl n LEU 406 N -4.19 0.35 -4.25 2.43 4.77 -1.07 -4.67 117.00 110.37 1rrl n LEU 406 Ca 0.03 0.12 -0.44 0.00 -0.03 0.00 0.00 56.01 55.70 1rrl n LEU 406 Cb 0.33 -0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 1rrl n LEU 406 CO 0.44 0.07 0.27 -1.61 -1.33 0.00 0.00 177.39 175.23 1rrl s GLU 407 N -2.65 3.20 0.00 3.23 2.02 -1.23 -4.94 118.70 118.33 1rrl s GLU 407 Ca 0.24 -2.40 -0.00 0.00 0.02 0.00 0.00 54.97 52.83 1rrl s GLU 407 Cb 0.20 -4.19 -0.00 0.00 0.10 0.00 0.00 34.13 30.23 1rrl s GLU 407 CO 0.51 -1.25 -0.00 -0.35 0.02 0.00 0.00 175.26 174.19 1rrl n PRO 408 N 3.96 0.00 0.11 0.39 -0.05 -1.26 -5.07 135.00 133.07 1rrl n PRO 408 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.54 1rrl n PRO 408 Cb 0.44 -0.15 0.00 0.00 -0.05 0.00 0.00 33.50 33.73 1rrl n PRO 408 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 175.50 173.74 1rrl n ASN 409 N -2.50 0.34 0.00 3.54 5.15 -1.26 -5.10 115.26 115.42 1rrl n ASN 409 Ca -0.00 0.35 0.00 0.00 -0.60 0.00 0.00 54.58 54.33 1rrl n ASN 409 Cb 0.00 0.11 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 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 -3.49 0.00 0.10 1.20 -0.00 -1.26 -4.75 117.00 108.80 1rrl n LEU 410 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 55.96 1rrl n LEU 410 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 1rrl n LEU 410 CO 0.00 0.00 0.14 -0.08 -0.00 0.00 0.00 177.39 177.45 1rrl h GLU 411 N 0.00 -0.33 0.00 1.96 4.81 -1.99 -3.49 114.58 115.54 1rrl h GLU 411 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1rrl h GLU 411 Cb 0.00 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1rrl h GLU 411 CO 0.00 -0.22 0.00 0.41 -0.73 0.00 0.00 179.01 178.47 1rrl n GLY 412 N 0.89 1.55 3.95 1.92 0.00 -1.26 -5.13 105.19 107.10 1rrl n GLY 412 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 2.85 0.68 0.99 1.02 -1.26 -5.08 118.68 117.88 1rrl s LEU 413 Ca 0.00 0.22 -0.07 0.00 0.02 0.00 0.00 54.13 54.29 1rrl s LEU 413 Cb 0.00 -2.69 0.04 0.00 0.02 0.00 0.00 46.19 43.56 1rrl s LEU 413 CO 0.00 -1.85 1.00 0.28 0.02 0.00 0.00 176.35 175.80 1rrl s THR 414 N -3.33 2.83 0.32 5.49 -1.32 -1.26 -4.85 115.64 113.53 1rrl s THR 414 Ca 0.64 -0.08 0.14 0.00 -1.21 0.00 0.00 61.69 61.18 1rrl s THR 414 Cb -0.08 -3.20 0.08 0.00 -1.51 0.00 0.00 72.50 67.79 1rrl s THR 414 CO 0.46 -0.22 1.77 1.62 -2.21 0.00 0.00 174.62 176.04 1rrl h VAL 415 N -0.50 1.22 0.11 5.08 3.04 -1.95 1.17 116.25 124.41 1rrl h VAL 415 Ca -0.45 -1.48 -0.01 0.00 -1.01 0.00 0.00 66.70 63.76 1rrl h VAL 415 Cb 1.29 1.81 0.00 0.00 -2.01 0.00 0.00 31.29 32.39 1rrl h VAL 415 CO 0.61 0.41 -0.05 0.44 -1.01 0.00 0.00 177.57 177.97 1rrl h ASP 416 N 0.00 -0.12 0.53 3.17 5.19 -1.99 -1.25 116.42 121.95 1rrl h ASP 416 Ca -0.00 -0.31 -0.01 0.00 -0.62 0.00 0.00 57.03 56.08 1rrl h ASP 416 Cb 0.78 0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.32 1rrl h ASP 416 CO 0.05 0.26 -0.07 -0.33 -3.12 0.00 0.00 179.24 176.04 1rrl h GLU 417 N -0.53 0.00 0.11 3.56 5.08 -1.75 0.79 114.58 121.84 1rrl h GLU 417 Ca -0.01 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.06 1rrl h GLU 417 Cb 0.43 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.70 1rrl h GLU 417 CO 0.02 0.07 -1.21 0.00 -1.00 0.00 0.00 179.01 176.90 1rrl h ALA 418 N 1.93 0.08 -0.19 3.43 0.00 0.16 -2.79 119.26 121.88 1rrl h ALA 418 Ca -0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 54.91 54.07 1rrl h ALA 418 Cb 0.36 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1rrl h ALA 418 CO 0.01 0.80 -0.02 0.82 0.00 0.00 0.00 179.25 180.86 1rrl h ILE 419 N 0.19 1.27 -0.41 0.00 2.04 -0.89 -1.70 117.51 118.02 1rrl h ILE 419 Ca -0.16 -0.94 0.08 0.00 1.00 0.00 0.00 64.86 64.85 1rrl h ILE 419 Cb 1.89 1.51 -0.09 0.00 -0.74 0.00 0.00 36.82 39.39 1rrl h ILE 419 CO 0.22 0.28 -0.27 1.56 0.00 0.00 0.00 178.15 179.94 1rrl h GLN 420 N 0.08 -0.19 -0.15 2.37 4.20 -0.87 -1.08 115.11 119.47 1rrl h GLN 420 Ca 0.05 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1rrl h GLN 420 Cb 0.44 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1rrl h GLN 420 CO 0.01 -0.13 0.00 0.09 -0.67 0.00 0.00 178.83 178.14 1rrl n ASN 421 N -5.41 0.16 -2.85 1.46 5.03 -1.06 -4.90 115.26 107.70 1rrl n ASN 421 Ca 0.02 -2.00 -0.18 0.00 0.87 0.00 0.00 54.58 53.28 1rrl n ASN 421 Cb 0.32 -0.07 0.06 0.00 -1.02 0.00 0.00 39.78 39.07 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 -0.42 -5.98 -0.02 3.52 5.02 -0.41 -4.93 118.16 114.92 1rrl n LYS 422 Ca 0.00 0.64 0.03 0.00 -2.02 0.00 0.00 58.31 56.96 1rrl n LYS 422 Cb 0.04 -5.11 0.04 0.00 -0.02 0.00 0.00 35.03 29.98 1rrl n LYS 422 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1rrl n ARG 423 N -3.92 0.66 -4.34 1.97 1.74 -0.65 -4.92 116.66 107.19 1rrl n ARG 423 Ca 0.00 -1.10 -0.34 0.00 -0.77 0.00 0.00 57.85 55.64 1rrl n ARG 423 Cb 0.55 -1.12 -0.11 0.00 -1.02 0.00 0.00 32.46 30.77 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 -0.62 3.46 0.10 0.55 1.43 -1.24 0.07 118.68 122.43 1rrl s LEU 424 Ca 0.08 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 1rrl s LEU 424 Cb 0.05 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 1rrl s LEU 424 CO 0.07 0.26 -0.07 -0.36 0.23 0.00 0.00 176.35 176.49 1rrl s PHE 425 N -0.18 0.89 -0.04 0.29 0.40 0.67 -1.46 117.98 118.55 1rrl s PHE 425 Ca 0.04 -0.89 -0.01 0.00 -0.60 0.00 0.00 56.93 55.48 1rrl s PHE 425 Cb -0.13 -0.51 0.03 0.00 0.51 0.00 0.00 43.02 42.92 1rrl s PHE 425 CO 0.02 -0.14 0.01 -1.17 0.70 0.00 0.00 175.22 174.64 1rrl s LEU 426 N -2.96 0.79 -0.53 -0.37 2.96 0.34 -0.71 118.68 118.21 1rrl s LEU 426 Ca 0.11 -0.02 -0.18 0.00 -0.22 0.00 0.00 54.13 53.82 1rrl s LEU 426 Cb 0.04 -0.28 0.09 0.00 0.50 0.00 0.00 46.19 46.55 1rrl s LEU 426 CO -0.04 -0.16 0.57 -0.22 -1.32 0.00 0.00 176.35 175.18 1rrl s LEU 427 N 1.52 5.49 -0.36 -0.68 0.20 0.34 -1.59 118.68 123.61 1rrl s LEU 427 Ca -0.03 -1.34 -0.10 0.00 0.69 0.00 0.00 54.13 53.36 1rrl s LEU 427 Cb -0.13 -2.29 0.03 0.00 -0.43 0.00 0.00 46.19 43.37 1rrl s LEU 427 CO -0.03 -0.89 0.17 -0.62 -0.29 0.00 0.00 176.35 174.69 1rrl s ASP 428 N 3.13 5.60 -0.20 3.68 -1.08 -1.26 -0.75 116.67 125.79 1rrl s ASP 428 Ca 0.09 -1.00 0.15 0.00 -0.52 0.00 0.00 52.55 51.27 1rrl s ASP 428 Cb -0.24 -1.98 0.45 0.00 -1.46 0.00 0.00 42.92 39.69 1rrl s ASP 428 CO 0.07 -0.36 1.18 1.41 0.52 0.00 0.00 175.17 178.00 1rrl n HIS 429 N 4.95 0.97 -0.09 -5.34 8.25 0.60 -4.79 115.22 119.77 1rrl n HIS 429 Ca -0.12 -1.59 -0.20 0.00 -0.26 0.00 0.00 57.72 55.55 1rrl n HIS 429 Cb 0.46 -0.25 -0.12 0.00 1.12 0.00 0.00 29.99 31.20 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 1.61 0.00 -0.07 4.41 6.17 -1.79 -2.96 115.15 122.51 1rrl h HIS 430 Ca 0.03 -0.00 -0.21 0.00 0.71 0.00 0.00 60.37 60.89 1rrl h HIS 430 Cb 1.39 -0.00 0.01 0.00 2.52 0.00 0.00 27.41 31.33 1rrl h HIS 430 CO 0.61 1.34 -0.78 -0.44 0.71 0.00 0.00 177.93 179.37 1rrl h ASP 431 N -1.00 0.82 -0.24 3.26 3.45 -1.90 -2.84 116.42 117.97 1rrl h ASP 431 Ca -0.24 -0.68 -0.15 0.00 0.43 0.00 0.00 57.03 56.38 1rrl h ASP 431 Cb 1.21 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.73 1rrl h ASP 431 CO -0.15 1.38 -0.39 1.55 -1.57 0.00 0.00 179.24 180.06 1rrl h PRO 432 N 0.32 0.79 0.00 3.56 0.13 -1.95 -3.34 132.00 131.50 1rrl h PRO 432 Ca -0.08 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1rrl h PRO 432 Cb 1.44 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.58 1rrl h PRO 432 CO 0.16 1.04 -0.73 0.97 -0.23 0.00 0.00 178.00 179.21 1rrl h ILE 433 N 0.64 0.00 0.12 -3.56 2.10 -1.83 -3.38 117.51 111.61 1rrl h ILE 433 Ca 0.05 -0.78 0.01 0.00 1.08 0.00 0.00 64.86 65.23 1rrl h ILE 433 Cb 0.95 1.37 -0.03 0.00 -1.09 0.00 0.00 36.82 38.02 1rrl h ILE 433 CO 0.09 0.00 -0.21 0.24 -1.08 0.00 0.00 178.15 177.19 1rrl h MET 434 N 0.00 -0.39 0.00 2.19 2.86 -1.62 -1.95 114.93 116.02 1rrl h MET 434 Ca 0.00 0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1rrl h MET 434 Cb 0.89 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.63 1rrl h MET 434 CO 0.00 -0.26 -0.13 -1.35 1.06 0.00 0.00 176.91 176.23 1rrl h PRO 435 N -0.40 0.00 -0.02 -0.22 0.11 -1.77 -0.39 132.00 129.31 1rrl h PRO 435 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1rrl h PRO 435 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.53 1rrl h PRO 435 CO -0.11 0.13 -0.09 0.66 -0.21 0.00 0.00 178.00 178.39 1rrl n TYR 436 N -3.58 0.00 -0.17 0.65 4.02 -1.23 -4.64 117.16 112.21 1rrl n TYR 436 Ca -0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.77 1rrl n TYR 436 Cb 0.27 -0.01 0.02 0.00 -0.02 0.00 0.00 39.34 39.60 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 3.77 1.02 -1.67 7.72 5.85 -0.23 0.06 115.31 131.83 1rrl h LEU 437 Ca 0.00 -0.35 0.05 0.00 0.84 0.00 0.00 57.88 58.42 1rrl h LEU 437 Cb 0.85 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1rrl h LEU 437 CO 0.00 1.14 0.31 0.08 -0.34 0.00 0.00 178.44 179.63 1rrl h ARG 438 N 0.89 0.41 0.05 1.25 0.11 -1.82 0.83 114.38 116.10 1rrl h ARG 438 Ca 0.13 -0.02 -0.08 0.00 0.10 0.00 0.00 59.98 60.11 1rrl h ARG 438 Cb 0.70 -0.09 0.01 0.00 1.11 0.00 0.00 29.97 31.70 1rrl h ARG 438 CO 0.05 0.27 -0.32 0.00 0.10 0.00 0.00 179.97 180.07 1rrl h ARG 439 N 0.42 0.14 -0.63 0.08 3.08 -1.65 -3.20 114.38 112.61 1rrl h ARG 439 Ca 0.19 -0.21 0.13 0.00 0.07 0.00 0.00 59.98 60.17 1rrl h ARG 439 Cb 0.24 0.07 -0.10 0.00 0.08 0.00 0.00 29.97 30.26 1rrl h ARG 439 CO -0.05 1.06 0.05 0.82 -1.07 0.00 0.00 179.97 180.78 1rrl h ILE 440 N -0.68 0.52 0.00 2.04 2.04 -0.81 -2.46 117.51 118.16 1rrl h ILE 440 Ca -0.05 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1rrl h ILE 440 Cb 1.21 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1rrl h ILE 440 CO 0.06 0.03 0.00 0.59 0.00 0.00 0.00 178.15 178.83 1rrl n ASN 441 N -5.24 0.04 -1.28 1.72 3.02 0.27 -1.86 115.26 111.93 1rrl n ASN 441 Ca 0.10 0.51 0.12 0.00 -0.03 0.00 0.00 54.58 55.28 1rrl n ASN 441 Cb 0.37 -0.52 0.29 0.00 -0.61 0.00 0.00 39.78 39.31 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 -1.52 2.40 -1.97 5.41 0.00 -0.93 -4.78 120.51 119.12 1rrl n ALA 442 Ca 0.04 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.29 1rrl n ALA 442 Cb 0.20 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 1.59 0.00 0.60 0.00 -2.24 -0.77 -4.98 114.28 108.48 1rrl n THR 443 Ca 0.23 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.12 1rrl n THR 443 Cb 0.61 -0.86 0.45 0.00 -2.10 0.00 0.00 70.33 68.43 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 0.00 0.36 -4.77 3.42 3.41 -1.26 -4.80 113.62 109.99 1rrl n SER 444 Ca 0.00 0.56 -0.38 0.00 -0.26 0.00 0.00 58.87 58.79 1rrl n SER 444 Cb 0.00 -0.65 -0.06 0.00 -0.26 0.00 0.00 64.21 63.24 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 -3.11 4.08 -0.19 6.66 2.01 -1.26 -4.70 115.64 119.14 1rrl s THR 445 Ca 0.08 1.90 -0.00 0.00 0.31 0.00 0.00 61.69 63.99 1rrl s THR 445 Cb 0.12 -4.14 0.05 0.00 0.01 0.00 0.00 72.50 68.54 1rrl s THR 445 CO 0.42 0.31 -0.06 -0.54 -0.69 0.00 0.00 174.62 174.06 1rrl s LYS 446 N -1.65 1.59 0.12 4.92 -0.14 -0.28 -4.11 119.74 120.19 1rrl s LYS 446 Ca 0.46 -0.68 -0.02 0.00 -1.36 0.00 0.00 55.97 54.37 1rrl s LYS 446 Cb -0.23 -2.22 -0.03 0.00 -1.68 0.00 0.00 37.83 33.67 1rrl s LYS 446 CO 0.29 -0.47 0.07 0.00 -0.76 0.00 0.00 175.35 174.48 1rrl s ALA 447 N 1.54 0.64 0.24 5.17 0.00 -1.26 -3.86 121.76 124.24 1rrl s ALA 447 Ca -0.01 -1.31 0.10 0.00 0.00 0.00 0.00 51.96 50.74 1rrl s ALA 447 Cb -0.16 0.74 -0.05 0.00 0.00 0.00 0.00 23.12 23.66 1rrl s ALA 447 CO -0.08 -0.49 -0.12 0.71 0.00 0.00 0.00 175.76 175.79 1rrl s TYR 448 N -4.01 2.51 -0.29 0.00 2.02 -1.26 -4.88 117.35 111.44 1rrl s TYR 448 Ca 0.19 -0.27 -0.08 0.00 -0.37 0.00 0.00 57.07 56.54 1rrl s TYR 448 Cb 0.07 -1.15 -0.01 0.00 -0.40 0.00 0.00 41.96 40.47 1rrl s TYR 448 CO -0.01 0.61 0.11 0.00 -1.57 0.00 0.00 175.55 174.69 1rrl s ALA 449 N -2.16 3.20 0.38 3.71 0.00 0.29 -4.86 121.76 122.32 1rrl s ALA 449 Ca 0.28 -1.31 0.08 0.00 0.00 0.00 0.00 51.96 51.01 1rrl s ALA 449 Cb -0.07 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 1rrl s ALA 449 CO 0.16 -0.76 0.22 0.95 0.00 0.00 0.00 175.76 176.32 1rrl s THR 450 N 1.59 2.78 -0.18 0.00 -4.23 -1.12 -1.86 115.64 112.62 1rrl s THR 450 Ca 0.05 -1.59 -0.11 0.00 -1.18 0.00 0.00 61.69 58.85 1rrl s THR 450 Cb -0.16 -3.00 0.06 0.00 1.34 0.00 0.00 72.50 70.73 1rrl s THR 450 CO 0.05 -0.09 0.45 -0.13 -0.54 0.00 0.00 174.62 174.36 1rrl s ARG 451 N -3.94 0.46 -0.07 3.99 0.52 -0.71 -0.29 118.95 118.92 1rrl s ARG 451 Ca 0.41 0.81 0.01 0.00 -0.52 0.00 0.00 55.73 56.44 1rrl s ARG 451 Cb -0.01 0.05 0.02 0.00 0.52 0.00 0.00 34.95 35.53 1rrl s ARG 451 CO 0.24 -0.14 -0.06 0.99 0.02 0.00 0.00 175.30 176.35 1rrl s THR 452 N 1.20 0.72 -0.22 0.02 2.01 0.07 -0.51 115.64 118.92 1rrl s THR 452 Ca -0.08 -0.18 -0.06 0.00 0.31 0.00 0.00 61.69 61.68 1rrl s THR 452 Cb -0.07 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.67 1rrl s THR 452 CO -0.11 0.28 0.03 -0.63 -0.69 0.00 0.00 174.62 173.51 1rrl s ILE 453 N 1.18 4.12 -0.07 1.82 1.01 -0.68 -0.50 121.20 128.08 1rrl s ILE 453 Ca -0.06 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.36 1rrl s ILE 453 Cb -0.14 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.41 1rrl s ILE 453 CO -0.01 0.39 -0.13 -0.76 0.00 0.00 0.00 174.94 174.43 1rrl s LEU 454 N 1.26 2.82 -0.12 2.97 1.02 0.11 -1.25 118.68 125.49 1rrl s LEU 454 Ca 0.04 -0.19 -0.09 0.00 0.02 0.00 0.00 54.13 53.92 1rrl s LEU 454 Cb -0.15 -1.59 -0.04 0.00 0.02 0.00 0.00 46.19 44.43 1rrl s LEU 454 CO 0.02 0.32 0.18 0.12 0.02 0.00 0.00 176.35 177.00 1rrl s PHE 455 N -0.54 3.58 -0.35 0.29 5.36 0.69 -0.24 117.98 126.76 1rrl s PHE 455 Ca 0.08 0.55 -0.21 0.00 -0.96 0.00 0.00 56.93 56.39 1rrl s PHE 455 Cb -0.12 -2.03 0.00 0.00 -0.34 0.00 0.00 43.02 40.53 1rrl s PHE 455 CO 0.02 0.63 0.68 -1.17 -1.46 0.00 0.00 175.22 173.92 1rrl s LEU 456 N -0.74 4.20 0.77 6.12 2.96 0.11 -1.33 118.68 130.77 1rrl s LEU 456 Ca 0.15 0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 54.26 1rrl s LEU 456 Cb -0.12 -2.86 0.12 0.00 0.50 0.00 0.00 46.19 43.83 1rrl s LEU 456 CO 0.04 -0.61 1.07 -0.54 -1.32 0.00 0.00 176.35 174.98 1rrl s LYS 457 N 2.80 1.61 0.37 1.98 1.02 -0.40 -4.95 119.74 122.17 1rrl s LYS 457 Ca 0.27 -0.70 0.06 0.00 0.02 0.00 0.00 55.97 55.62 1rrl s LYS 457 Cb -0.14 -2.18 0.73 0.00 -0.52 0.00 0.00 37.83 35.72 1rrl s LYS 457 CO 0.15 -1.59 1.96 -0.91 -0.92 0.00 0.00 175.35 174.04 1rrl h ASN 458 N -0.79 0.46 0.90 2.83 -0.26 -1.97 -1.59 115.58 115.16 1rrl h ASN 458 Ca -0.41 -0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.28 1rrl h ASN 458 Cb 1.27 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 38.42 1rrl h ASN 458 CO 0.46 0.45 0.00 -0.90 -1.06 0.00 0.00 177.43 176.38 1rrl n ASP 459 N -4.36 0.00 0.00 5.81 3.85 -1.26 -4.89 116.55 115.70 1rrl n ASP 459 Ca 0.02 0.39 0.00 0.00 -0.71 0.00 0.00 54.79 54.49 1rrl n ASP 459 Cb 0.17 -0.46 0.00 0.00 -1.35 0.00 0.00 41.12 39.48 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 1.39 0.70 3.94 6.12 0.00 -0.60 -4.85 105.19 111.90 1rrl n GLY 460 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.19 2.36 -0.05 2.61 -4.23 -1.26 -4.78 115.64 108.10 1rrl s THR 461 Ca 0.00 -0.36 -0.04 0.00 -1.18 0.00 0.00 61.69 60.10 1rrl s THR 461 Cb 0.00 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.80 1rrl s THR 461 CO 0.00 0.00 0.15 -0.22 -0.54 0.00 0.00 174.62 174.01 1rrl s LEU 462 N -5.14 4.30 -0.04 4.79 2.96 -1.26 -1.28 118.68 123.01 1rrl s LEU 462 Ca 0.60 0.37 0.01 0.00 -0.22 0.00 0.00 54.13 54.88 1rrl s LEU 462 Cb -0.11 -2.34 0.02 0.00 0.50 0.00 0.00 46.19 44.27 1rrl s LEU 462 CO 0.43 0.33 -0.04 -0.60 -1.32 0.00 0.00 176.35 175.15 1rrl s ARG 463 N -1.52 0.76 0.37 1.98 3.52 -0.44 -4.60 118.95 119.01 1rrl s ARG 463 Ca 0.21 -0.08 -0.25 0.00 -0.13 0.00 0.00 55.73 55.49 1rrl s ARG 463 Cb -0.12 -0.80 -0.09 0.00 -1.56 0.00 0.00 34.95 32.37 1rrl s ARG 463 CO 0.12 -0.09 1.04 -1.25 -0.81 0.00 0.00 175.30 174.31 1rrl s PRO 464 N 0.96 4.30 0.00 5.12 0.04 -1.26 -0.22 135.00 143.94 1rrl s PRO 464 Ca -0.10 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1rrl s PRO 464 Cb -0.14 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1rrl s PRO 464 CO -0.00 -0.02 0.00 1.28 0.04 0.00 0.00 177.00 178.29 1rrl n LEU 465 N 0.23 0.00 -3.63 -3.56 4.32 -0.38 -4.79 117.00 109.19 1rrl n LEU 465 Ca 0.04 -0.15 -0.05 0.00 -0.02 0.00 0.00 56.01 55.82 1rrl n LEU 465 Cb 0.49 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.23 1rrl n LEU 465 CO 0.46 0.00 1.01 0.00 -1.22 0.00 0.00 177.39 177.65 1rrl s ALA 466 N -1.12 -2.10 -0.07 -1.18 0.00 -1.21 -4.47 121.76 111.61 1rrl s ALA 466 Ca 0.00 1.76 0.01 0.00 0.00 0.00 0.00 51.96 53.73 1rrl s ALA 466 Cb 0.00 -1.47 0.02 0.00 0.00 0.00 0.00 23.12 21.67 1rrl s ALA 466 CO 0.00 -0.20 -0.09 0.42 0.00 0.00 0.00 175.76 175.89 1rrl s ILE 467 N -0.39 0.95 -0.20 0.00 1.01 -0.51 -1.68 121.20 120.37 1rrl s ILE 467 Ca 0.05 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.30 1rrl s ILE 467 Cb -0.03 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 1rrl s ILE 467 CO -0.09 0.32 0.02 -0.70 0.00 0.00 0.00 174.94 174.49 1rrl s GLU 468 N 0.90 3.72 -0.30 2.79 2.12 0.34 -1.12 118.70 127.15 1rrl s GLU 468 Ca -0.11 -0.47 -0.04 0.00 0.36 0.00 0.00 54.97 54.71 1rrl s GLU 468 Cb -0.15 -3.13 0.03 0.00 0.26 0.00 0.00 34.13 31.14 1rrl s GLU 468 CO 0.01 0.08 0.04 -0.51 -0.54 0.00 0.00 175.26 174.33 1rrl s LEU 469 N 0.86 3.89 -0.07 2.70 1.43 0.68 -1.74 118.68 126.44 1rrl s LEU 469 Ca 0.02 -1.03 0.04 0.00 -1.03 0.00 0.00 54.13 52.13 1rrl s LEU 469 Cb -0.14 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 1rrl s LEU 469 CO 0.02 -0.24 -0.19 -0.44 0.23 0.00 0.00 176.35 175.73 1rrl s SER 470 N 1.37 3.61 0.02 2.29 0.01 -0.77 -1.54 113.70 118.69 1rrl s SER 470 Ca -0.01 -0.35 0.03 0.00 1.31 0.00 0.00 55.95 56.93 1rrl s SER 470 Cb -0.19 -0.95 -0.04 0.00 0.21 0.00 0.00 66.02 65.06 1rrl s SER 470 CO 0.00 0.27 -0.04 -0.76 0.41 0.00 0.00 173.24 173.12 1rrl s LEU 471 N -0.31 3.29 0.00 2.44 1.43 -0.49 -0.54 118.68 124.50 1rrl s LEU 471 Ca 0.02 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1rrl s LEU 471 Cb -0.13 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1rrl s LEU 471 CO 0.02 0.26 0.96 -0.81 0.23 0.00 0.00 176.35 177.01 1rrl n PRO 472 N 1.29 0.00 -3.43 1.29 -0.04 -1.26 -2.59 135.00 130.25 1rrl n PRO 472 Ca -0.14 0.54 -0.08 0.00 -0.04 0.00 0.00 63.50 63.77 1rrl n PRO 472 Cb 0.52 -1.46 -0.08 0.00 -0.04 0.00 0.00 33.50 32.44 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 -2.84 -0.84 0.03 0.54 -3.43 -1.26 -4.19 115.29 103.29 1rrl s HIS 473 Ca 0.00 1.07 -0.14 0.00 -0.80 0.00 0.00 55.06 55.19 1rrl s HIS 473 Cb 0.00 0.12 -0.07 0.00 -1.43 0.00 0.00 32.58 31.20 1rrl s HIS 473 CO 0.00 -0.65 1.21 -1.35 -2.00 0.00 0.00 174.74 171.95 1rrl h PRO 474 N 8.17 -0.44 -0.29 -0.38 0.11 -1.94 -3.40 132.00 133.84 1rrl h PRO 474 Ca -0.18 0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.75 1rrl h PRO 474 Cb 1.14 0.10 -0.15 0.00 0.11 0.00 0.00 31.00 32.20 1rrl h PRO 474 CO 0.23 -0.29 -0.55 0.00 -0.21 0.00 0.00 178.00 177.18 1rrl n GLN 475 N -3.45 2.28 0.00 1.05 10.64 -1.26 -5.07 117.38 121.57 1rrl n GLN 475 Ca -0.06 -3.58 0.00 0.00 -1.83 0.00 0.00 57.00 51.53 1rrl n GLN 475 Cb 0.19 -1.86 0.00 0.00 -0.86 0.00 0.00 30.24 27.71 1rrl n GLN 475 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1rrl n GLY 476 N -0.98 3.06 0.17 2.61 0.00 -1.26 -4.80 105.19 103.99 1rrl n GLY 476 Ca 0.29 -1.96 -0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 0.09 0.21 1.61 5.19 -1.91 -2.75 116.42 118.85 1rrl h ASP 477 Ca 0.00 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1rrl h ASP 477 Cb 0.00 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.48 1rrl h ASP 477 CO 0.00 0.55 0.00 0.00 -3.12 0.00 0.00 179.24 176.67 1rrl n GLN 478 N -3.98 0.03 -0.30 3.56 6.02 -1.26 -2.76 117.38 118.70 1rrl n GLN 478 Ca -0.02 0.33 0.10 0.00 -0.01 0.00 0.00 57.00 57.40 1rrl n GLN 478 Cb 0.50 -1.50 0.26 0.00 1.02 0.00 0.00 30.24 30.53 1rrl n GLN 478 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1rrl n SER 479 N -1.44 3.17 0.00 1.08 7.64 -1.04 -4.09 113.62 118.95 1rrl n SER 479 Ca 0.02 -2.00 0.00 0.00 1.01 0.00 0.00 58.87 57.91 1rrl n SER 479 Cb 0.07 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1rrl n SER 479 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rrl n GLY 480 N 1.45 0.22 3.23 0.23 0.00 -1.11 -4.85 105.19 104.36 1rrl n GLY 480 Ca 0.20 -1.22 -0.22 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.72 1.53 -0.23 4.61 0.00 -1.26 -4.76 121.76 119.92 1rrl s ALA 481 Ca 0.00 -1.13 -0.16 0.00 0.00 0.00 0.00 51.96 50.67 1rrl s ALA 481 Cb 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1rrl s ALA 481 CO 0.00 0.28 0.43 0.12 0.00 0.00 0.00 175.76 176.59 1rrl s PHE 482 N -1.18 3.31 -0.02 0.00 5.36 -1.07 -5.00 117.98 119.38 1rrl s PHE 482 Ca 0.03 0.58 0.04 0.00 -0.96 0.00 0.00 56.93 56.62 1rrl s PHE 482 Cb -0.10 -2.60 -0.01 0.00 -0.34 0.00 0.00 43.02 39.98 1rrl s PHE 482 CO 0.03 -0.14 -0.13 -1.12 -1.46 0.00 0.00 175.22 172.40 1rrl s SER 483 N 1.34 1.55 0.22 6.13 0.01 -1.26 -1.39 113.70 120.30 1rrl s SER 483 Ca 0.19 -0.24 0.11 0.00 1.31 0.00 0.00 55.95 57.31 1rrl s SER 483 Cb -0.15 -0.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.78 1rrl s SER 483 CO 0.09 0.14 -0.16 -1.10 0.41 0.00 0.00 173.24 172.62 1rrl s GLN 484 N -0.17 1.80 -0.04 12.44 -0.21 -0.59 -4.97 119.66 127.93 1rrl s GLN 484 Ca 0.02 -1.51 0.02 0.00 0.02 0.00 0.00 55.36 53.91 1rrl s GLN 484 Cb -0.07 -1.95 0.01 0.00 1.00 0.00 0.00 33.01 32.01 1rrl s GLN 484 CO 0.00 0.39 -0.08 0.08 -2.12 0.00 0.00 175.29 173.55 1rrl s VAL 485 N -1.98 0.77 -0.10 1.09 1.01 -1.26 -0.23 120.40 119.70 1rrl s VAL 485 Ca 0.26 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1rrl s VAL 485 Cb -0.07 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.61 1rrl s VAL 485 CO 0.14 0.26 -0.14 -0.36 0.00 0.00 0.00 175.10 174.99 1rrl s PHE 486 N 0.49 1.85 0.12 5.22 0.40 -0.27 -4.98 117.98 120.81 1rrl s PHE 486 Ca -0.08 -0.83 0.03 0.00 -0.60 0.00 0.00 56.93 55.45 1rrl s PHE 486 Cb -0.12 -1.35 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 1rrl s PHE 486 CO 0.01 -0.43 0.14 -0.51 0.70 0.00 0.00 175.22 175.12 1rrl s LEU 487 N 0.94 3.93 0.25 -0.37 1.43 -1.26 -1.42 118.68 122.17 1rrl s LEU 487 Ca -0.08 -0.00 -0.30 0.00 -1.03 0.00 0.00 54.13 52.72 1rrl s LEU 487 Cb -0.15 -2.56 -0.14 0.00 0.03 0.00 0.00 46.19 43.37 1rrl s LEU 487 CO -0.00 0.12 1.20 -2.65 0.23 0.00 0.00 176.35 175.24 1rrl n PRO 488 N 0.03 1.57 -3.71 1.29 -0.02 -1.26 -4.87 135.00 128.04 1rrl n PRO 488 Ca -0.08 0.56 -0.14 0.00 -2.02 0.00 0.00 63.50 61.82 1rrl n PRO 488 Cb 0.53 -2.07 -0.09 0.00 -0.02 0.00 0.00 33.50 31.85 1rrl n PRO 488 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rrl s ALA 489 N -0.52 -1.18 -0.14 3.55 0.00 -1.26 -5.05 121.76 117.16 1rrl s ALA 489 Ca 0.65 1.26 0.18 0.00 0.00 0.00 0.00 51.96 54.05 1rrl s ALA 489 Cb -0.72 -0.67 0.31 0.00 0.00 0.00 0.00 23.12 22.05 1rrl s ALA 489 CO 0.55 -0.24 1.17 -0.40 0.00 0.00 0.00 175.76 176.84 1rrl n ASP 490 N 2.58 2.35 -3.94 0.00 3.85 -1.26 -4.06 116.55 116.07 1rrl n ASP 490 Ca -0.14 -3.16 -0.16 0.00 -0.71 0.00 0.00 54.79 50.62 1rrl n ASP 490 Cb 0.57 -0.44 -0.14 0.00 -1.35 0.00 0.00 41.12 39.75 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 -2.91 0.39 2.22 0.11 2.12 -1.26 -4.90 118.70 114.48 1rrl s GLU 491 Ca 0.33 -0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.50 1rrl s GLU 491 Cb 0.29 -0.39 0.00 0.00 0.26 0.00 0.00 34.13 34.29 1rrl s GLU 491 CO 0.02 0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.24 1rrl n GLY 492 N 3.04 -0.83 0.23 -1.50 0.00 -1.26 -2.80 105.19 102.07 1rrl n GLY 492 Ca -0.14 -1.17 0.08 0.00 0.00 0.00 0.00 46.02 44.79 1rrl n GLY 492 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1rrl h VAL 493 N 0.00 0.89 -0.67 1.61 2.07 -1.94 -2.91 116.25 115.31 1rrl h VAL 493 Ca 0.00 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.74 1rrl h VAL 493 Cb 0.00 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1rrl h VAL 493 CO 0.00 0.21 0.43 -0.33 0.02 0.00 0.00 177.57 177.90 1rrl h GLU 494 N 0.00 0.83 -0.73 1.57 3.07 -1.96 -1.78 114.58 115.58 1rrl h GLU 494 Ca -0.00 -0.05 0.14 0.00 -0.50 0.00 0.00 59.36 58.95 1rrl h GLU 494 Cb 0.45 -0.19 -0.10 0.00 -0.84 0.00 0.00 28.75 28.08 1rrl h GLU 494 CO 0.03 0.55 0.25 0.66 -1.40 0.00 0.00 179.01 179.10 1rrl h SER 495 N 0.86 0.19 0.49 1.42 4.64 -1.34 -0.10 113.55 119.70 1rrl h SER 495 Ca 0.26 0.12 -0.14 0.00 -0.47 0.00 0.00 61.79 61.55 1rrl h SER 495 Cb -0.04 0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1rrl h SER 495 CO -0.08 0.06 -0.63 0.28 -0.87 0.00 0.00 176.83 175.59 1rrl h SER 496 N 0.38 0.15 -0.18 4.97 0.02 -1.49 -0.20 113.55 117.19 1rrl h SER 496 Ca 0.40 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 61.14 1rrl h SER 496 Cb 0.63 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1rrl h SER 496 CO -0.43 0.74 -0.31 0.40 -1.14 0.00 0.00 176.83 176.09 1rrl h ILE 497 N 0.10 1.28 -0.32 3.27 2.04 -0.55 -0.18 117.51 123.15 1rrl h ILE 497 Ca -0.01 -1.43 -0.09 0.00 1.00 0.00 0.00 64.86 64.33 1rrl h ILE 497 Cb 1.13 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 1rrl h ILE 497 CO 0.09 0.47 -0.15 -0.25 0.00 0.00 0.00 178.15 178.31 1rrl h TRP 498 N 0.58 0.76 -0.37 1.37 2.91 -0.48 0.52 115.95 121.25 1rrl h TRP 498 Ca 0.07 -0.19 -0.10 0.00 1.13 0.00 0.00 58.89 59.80 1rrl h TRP 498 Cb 0.81 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 29.27 1rrl h TRP 498 CO 0.04 0.88 -0.19 1.25 -1.03 0.00 0.00 178.44 179.39 1rrl h LEU 499 N 0.43 0.69 -0.50 0.65 5.85 -0.92 0.13 115.31 121.63 1rrl h LEU 499 Ca 0.07 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1rrl h LEU 499 Cb 0.68 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1rrl h LEU 499 CO 0.05 0.88 0.29 -0.07 -0.34 0.00 0.00 178.44 179.24 1rrl h LEU 500 N 0.61 0.61 -1.76 2.25 3.38 -0.64 -0.48 115.31 119.29 1rrl h LEU 500 Ca 0.09 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1rrl h LEU 500 Cb 0.66 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1rrl h LEU 500 CO 0.05 0.51 0.08 0.00 0.09 0.00 0.00 178.44 179.17 1rrl h ALA 501 N 1.13 1.82 -0.16 1.53 0.00 0.13 0.82 119.26 124.52 1rrl h ALA 501 Ca 0.18 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 1rrl h ALA 501 Cb 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1rrl h ALA 501 CO -0.03 0.15 -0.59 0.87 0.00 0.00 0.00 179.25 179.65 1rrl h LYS 502 N 0.23 0.54 -0.50 0.00 1.57 -0.43 -3.05 116.57 114.93 1rrl h LYS 502 Ca 0.06 -0.36 0.06 0.00 -1.87 0.00 0.00 60.65 58.54 1rrl h LYS 502 Cb 0.04 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 1rrl h LYS 502 CO -0.01 0.97 0.21 0.00 -0.57 0.00 0.00 179.45 180.05 1rrl h ALA 503 N 0.95 0.63 0.00 3.86 0.00 0.82 -0.50 119.26 125.03 1rrl h ALA 503 Ca -0.00 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rrl h ALA 503 Cb 1.14 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1rrl h ALA 503 CO 0.11 -0.17 -0.02 1.88 0.00 0.00 0.00 179.25 181.04 1rrl h TYR 504 N 0.41 0.00 0.00 0.00 0.05 -1.31 -0.27 116.97 115.84 1rrl h TYR 504 Ca 0.24 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.02 1rrl h TYR 504 Cb 0.22 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.96 1rrl h TYR 504 CO -0.14 0.02 -0.01 0.28 -1.05 0.00 0.00 178.16 177.26 1rrl h VAL 505 N 0.00 0.46 -1.07 -2.88 2.07 -1.30 -3.26 116.25 110.27 1rrl h VAL 505 Ca -0.00 -1.35 0.29 0.00 0.82 0.00 0.00 66.70 66.46 1rrl h VAL 505 Cb 0.11 0.88 -0.08 0.00 -1.52 0.00 0.00 31.29 30.68 1rrl h VAL 505 CO 0.00 0.16 0.72 0.58 0.02 0.00 0.00 177.57 179.05 1rrl h VAL 506 N -1.00 0.49 -0.48 2.57 2.07 -0.74 0.93 116.25 120.08 1rrl h VAL 506 Ca -0.00 -0.08 -0.12 0.00 0.82 0.00 0.00 66.70 67.31 1rrl h VAL 506 Cb 0.27 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1rrl h VAL 506 CO -0.00 0.04 -0.18 1.62 0.02 0.00 0.00 177.57 179.07 1rrl h VAL 507 N 0.24 1.27 -0.77 2.57 3.04 -1.19 0.47 116.25 121.87 1rrl h VAL 507 Ca 0.57 -1.34 -0.00 0.00 -1.01 0.00 0.00 66.70 64.92 1rrl h VAL 507 Cb 1.75 1.09 -0.04 0.00 -2.01 0.00 0.00 31.29 32.08 1rrl h VAL 507 CO -0.19 0.46 0.47 0.78 -1.01 0.00 0.00 177.57 178.09 1rrl h ASN 508 N 0.84 0.92 0.04 3.17 -0.26 -0.94 -2.88 115.58 116.48 1rrl h ASN 508 Ca 0.12 -0.06 -0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1rrl h ASN 508 Cb 0.75 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.77 1rrl h ASN 508 CO 0.06 0.71 -0.02 -0.78 -1.06 0.00 0.00 177.43 176.34 1rrl h ASP 509 N 1.06 -0.05 -0.91 5.81 3.58 0.61 -1.75 116.42 124.77 1rrl h ASP 509 Ca 0.28 -0.55 0.22 0.00 0.42 0.00 0.00 57.03 57.39 1rrl h ASP 509 Cb -0.05 0.01 -0.17 0.00 1.72 0.00 0.00 39.33 40.84 1rrl h ASP 509 CO -0.05 0.56 -0.10 -1.20 -2.88 0.00 0.00 179.24 175.56 1rrl n SER 510 N -4.83 -0.21 -0.05 2.28 7.64 0.15 -0.26 113.62 118.34 1rrl n SER 510 Ca -0.09 1.55 -0.13 0.00 1.01 0.00 0.00 58.87 61.22 1rrl n SER 510 Cb 0.30 -0.52 -0.07 0.00 -1.01 0.00 0.00 64.21 62.91 1rrl n SER 510 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rrl h TYR 512 N -0.09 0.55 -0.46 0.00 5.03 -0.79 -1.96 116.97 119.26 1rrl h TYR 512 Ca 0.03 -0.07 0.09 0.00 2.58 0.00 0.00 58.73 61.36 1rrl h TYR 512 Cb 0.55 -0.15 -0.10 0.00 1.55 0.00 0.00 36.73 38.58 1rrl h TYR 512 CO 0.07 0.58 -0.24 1.25 -1.32 0.00 0.00 178.16 178.50 1rrl h HIS 513 N 0.36 -0.62 -0.23 -3.82 2.76 -0.64 0.19 115.15 113.16 1rrl h HIS 513 Ca 0.10 0.05 -0.17 0.00 -2.20 0.00 0.00 60.37 58.15 1rrl h HIS 513 Cb 0.32 0.34 -0.00 0.00 1.55 0.00 0.00 27.41 29.62 1rrl h HIS 513 CO 0.02 -0.32 -0.56 0.37 -1.30 0.00 0.00 177.93 176.14 1rrl h GLN 514 N -0.14 0.71 0.00 5.26 5.75 -0.87 1.15 115.11 126.96 1rrl h GLN 514 Ca 0.21 -0.45 -0.25 0.00 -0.15 0.00 0.00 58.65 58.02 1rrl h GLN 514 Cb 0.48 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.04 1rrl h GLN 514 CO -0.55 1.07 -1.58 -0.07 -2.65 0.00 0.00 178.83 175.06 1rrl h LEU 515 N 0.54 0.00 0.00 -2.39 -0.00 -1.22 0.83 115.31 113.07 1rrl h LEU 515 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1rrl h LEU 515 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.80 1rrl h LEU 515 CO 0.11 0.85 -0.05 0.52 -0.00 0.00 0.00 178.44 179.87 1rrl n VAL 516 N -3.00 0.44 -0.34 1.22 0.31 0.61 -1.09 118.33 116.49 1rrl n VAL 516 Ca -0.14 0.18 0.06 0.00 -0.01 0.00 0.00 64.34 64.43 1rrl n VAL 516 Cb 0.97 -1.29 0.25 0.00 -0.91 0.00 0.00 33.84 32.86 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 -0.05 0.90 0.00 4.52 0.02 -1.05 -1.26 113.55 116.63 1rrl h SER 517 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1rrl h SER 517 Cb 0.05 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1rrl h SER 517 CO 0.00 0.52 0.00 1.57 -1.14 0.00 0.00 176.83 177.78 1rrl n HIS 518 N -4.56 0.00 0.07 3.45 -0.00 0.39 -4.42 115.22 110.15 1rrl n HIS 518 Ca 0.17 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.73 1rrl n HIS 518 Cb 0.30 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.19 1rrl n HIS 518 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 176.34 178.69 1rrl h TRP 519 N 0.00 -1.56 -0.32 1.57 2.91 -0.99 -2.52 115.95 115.03 1rrl h TRP 519 Ca 0.00 0.05 -0.16 0.00 1.13 0.00 0.00 58.89 59.90 1rrl h TRP 519 Cb 0.00 0.68 -0.00 0.00 -0.51 0.00 0.00 29.16 29.32 1rrl h TRP 519 CO 0.00 -0.58 -0.45 1.25 -1.03 0.00 0.00 178.44 177.63 1rrl h LEU 520 N -0.69 0.91 -0.44 0.65 5.85 -1.12 -0.35 115.31 120.13 1rrl h LEU 520 Ca 0.01 -0.44 -0.08 0.00 0.84 0.00 0.00 57.88 58.20 1rrl h LEU 520 Cb 0.73 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1rrl h LEU 520 CO -0.35 1.22 -0.39 0.78 -0.34 0.00 0.00 178.44 179.37 1rrl h ASN 521 N 0.67 0.00 0.00 1.25 -0.26 -1.21 -2.44 115.58 113.59 1rrl h ASN 521 Ca 0.04 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 1rrl h ASN 521 Cb 1.04 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.30 1rrl h ASN 521 CO 0.10 0.39 0.00 0.35 -1.06 0.00 0.00 177.43 177.21 1rrl n THR 522 N -3.31 0.00 -0.17 2.81 -2.24 -0.95 -4.72 114.28 105.70 1rrl n THR 522 Ca 0.01 0.02 -0.11 0.00 -2.27 0.00 0.00 64.05 61.71 1rrl n THR 522 Cb 0.61 -0.79 -0.08 0.00 -2.10 0.00 0.00 70.33 67.97 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 -1.43 -0.34 4.78 3.86 -1.60 0.40 115.15 120.82 1rrl h HIS 523 Ca 0.00 0.08 -0.11 0.00 -1.16 0.00 0.00 60.37 59.18 1rrl h HIS 523 Cb 0.00 0.68 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 1rrl h HIS 523 CO 0.00 -0.38 -0.20 0.00 0.86 0.00 0.00 177.93 178.21 1rrl h ALA 524 N -0.16 0.48 0.00 2.45 0.00 -1.17 -3.14 119.26 117.73 1rrl h ALA 524 Ca 0.08 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 1rrl h ALA 524 Cb 0.45 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1rrl h ALA 524 CO -0.55 0.43 -0.70 0.28 0.00 0.00 0.00 179.25 178.71 1rrl h VAL 525 N 0.51 1.33 -0.10 0.00 2.07 -0.84 -3.09 116.25 116.13 1rrl h VAL 525 Ca 0.07 -2.53 -0.15 0.00 0.82 0.00 0.00 66.70 64.91 1rrl h VAL 525 Cb 0.75 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 1rrl h VAL 525 CO 0.06 0.68 -0.59 0.58 0.02 0.00 0.00 177.57 178.32 1rrl h VAL 526 N 0.00 1.36 -0.76 2.57 2.07 -0.90 -3.36 116.25 117.24 1rrl h VAL 526 Ca -0.01 -1.93 0.17 0.00 0.82 0.00 0.00 66.70 65.76 1rrl h VAL 526 Cb 1.37 1.94 -0.13 0.00 -1.52 0.00 0.00 31.29 32.95 1rrl h VAL 526 CO 0.09 0.58 -0.01 -0.33 0.02 0.00 0.00 177.57 177.92 1rrl h GLU 527 N 0.26 0.09 0.00 1.57 5.08 -1.50 -0.48 114.58 119.60 1rrl h GLU 527 Ca -0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1rrl h GLU 527 Cb 1.11 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1rrl h GLU 527 CO 0.10 0.06 -0.02 -1.35 -1.00 0.00 0.00 179.01 176.79 1rrl h PRO 528 N 0.09 0.00 -0.11 2.33 0.11 -1.75 -1.94 132.00 130.73 1rrl h PRO 528 Ca 0.41 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.30 1rrl h PRO 528 Cb 0.72 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.84 1rrl h PRO 528 CO -0.68 0.02 -0.81 0.74 -0.21 0.00 0.00 178.00 177.07 1rrl h PHE 529 N 0.00 0.95 -0.02 0.65 0.04 -1.32 -0.96 116.94 116.29 1rrl h PHE 529 Ca -0.00 -0.43 -0.01 0.00 2.80 0.00 0.00 57.97 60.33 1rrl h PHE 529 Cb 0.12 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.13 1rrl h PHE 529 CO 0.00 1.25 -0.03 0.82 -0.60 0.00 0.00 178.31 179.76 1rrl h ILE 530 N 0.46 1.42 -0.10 -0.55 2.04 -1.04 -2.39 117.51 117.35 1rrl h ILE 530 Ca -0.06 -1.29 0.04 0.00 1.00 0.00 0.00 64.86 64.55 1rrl h ILE 530 Cb 1.43 2.26 -0.04 0.00 -0.74 0.00 0.00 36.82 39.73 1rrl h ILE 530 CO 0.16 0.34 -0.13 0.40 0.00 0.00 0.00 178.15 178.92 1rrl h ILE 531 N -0.48 0.65 -0.84 -0.67 2.04 -1.57 -1.62 117.51 115.03 1rrl h ILE 531 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1rrl h ILE 531 Cb 0.57 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 1rrl h ILE 531 CO 0.01 0.00 0.53 0.00 0.00 0.00 0.00 178.15 178.69 1rrl h ALA 532 N 0.89 1.11 0.07 1.87 0.00 -1.17 -0.40 119.26 121.63 1rrl h ALA 532 Ca 0.08 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1rrl h ALA 532 Cb 0.28 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1rrl h ALA 532 CO -0.20 0.35 -0.16 1.15 0.00 0.00 0.00 179.25 180.39 1rrl h THR 533 N 1.03 0.63 0.00 0.00 2.02 -1.26 -0.35 112.91 114.98 1rrl h THR 533 Ca 0.34 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.49 1rrl h THR 533 Cb 0.03 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1rrl h THR 533 CO -0.12 0.00 -0.14 0.78 0.37 0.00 0.00 175.52 176.41 1rrl h ASN 534 N -0.30 0.00 0.92 4.18 2.35 -1.01 0.36 115.58 122.09 1rrl h ASN 534 Ca 0.03 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.56 1rrl h ASN 534 Cb 0.32 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 1rrl h ASN 534 CO -0.10 0.14 -1.09 0.03 -1.65 0.00 0.00 177.43 174.75 1rrl h ARG 535 N 0.00 0.03 0.00 0.81 3.08 -0.62 -3.41 114.38 114.27 1rrl h ARG 535 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1rrl h ARG 535 Cb 0.60 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1rrl h ARG 535 CO 0.02 0.98 0.00 0.72 -1.07 0.00 0.00 179.97 180.61 1rrl n HIS 536 N -3.34 0.00 -4.42 3.04 8.25 -0.18 -4.80 115.22 113.77 1rrl n HIS 536 Ca -0.02 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.10 1rrl n HIS 536 Cb 0.96 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.91 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 -1.23 2.32 0.59 2.41 1.02 0.13 -4.62 118.68 119.31 1rrl s LEU 537 Ca 0.00 -0.55 -0.16 0.00 0.02 0.00 0.00 54.13 53.45 1rrl s LEU 537 Cb 0.00 -1.52 -0.04 0.00 0.02 0.00 0.00 46.19 44.65 1rrl s LEU 537 CO 0.00 0.05 1.06 -0.55 0.02 0.00 0.00 176.35 176.93 1rrl s SER 538 N 0.99 5.80 0.64 2.29 0.15 -1.26 -4.54 113.70 117.76 1rrl s SER 538 Ca -0.02 1.82 0.33 0.00 0.70 0.00 0.00 55.95 58.78 1rrl s SER 538 Cb -0.15 -2.53 1.83 0.00 -1.71 0.00 0.00 66.02 63.46 1rrl s SER 538 CO -0.04 -1.16 2.09 -0.37 1.20 0.00 0.00 173.24 174.96 1rrl h VAL 539 N 0.47 0.17 0.17 4.45 -1.51 -1.97 0.43 116.25 118.46 1rrl h VAL 539 Ca -0.47 0.00 -0.30 0.00 -1.23 0.00 0.00 66.70 64.70 1rrl h VAL 539 Cb 1.22 0.80 0.01 0.00 -2.13 0.00 0.00 31.29 31.19 1rrl h VAL 539 CO 0.57 0.00 -1.37 0.58 -1.23 0.00 0.00 177.57 176.12 1rrl h VAL 540 N 0.00 1.37 -2.14 7.19 2.07 -1.89 -3.42 116.25 119.42 1rrl h VAL 540 Ca 0.04 -2.90 -0.63 0.00 0.82 0.00 0.00 66.70 64.03 1rrl h VAL 540 Cb 0.48 2.95 0.07 0.00 -1.52 0.00 0.00 31.29 33.27 1rrl h VAL 540 CO -0.00 0.86 0.46 1.57 0.02 0.00 0.00 177.57 180.48 1rrl n HIS 541 N -3.58 1.70 -0.35 1.57 -0.00 0.15 -2.49 115.22 112.22 1rrl n HIS 541 Ca -0.13 0.55 0.13 0.00 -0.00 0.00 0.00 57.72 58.27 1rrl n HIS 541 Cb 1.05 -2.37 0.32 0.00 -0.00 0.00 0.00 29.99 28.99 1rrl n HIS 541 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1rrl h PRO 542 N 4.13 0.73 0.08 1.57 0.13 -1.86 -2.44 132.00 134.34 1rrl h PRO 542 Ca -0.45 -0.04 -0.25 0.00 -0.87 0.00 0.00 66.00 64.39 1rrl h PRO 542 Cb 1.31 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1rrl h PRO 542 CO 0.75 0.49 -1.17 0.82 -0.23 0.00 0.00 178.00 178.66 1rrl h ILE 543 N 0.76 1.57 -0.19 -3.56 1.08 -1.93 -1.80 117.51 113.43 1rrl h ILE 543 Ca 0.58 -3.19 0.06 0.00 -0.39 0.00 0.00 64.86 61.92 1rrl h ILE 543 Cb 0.90 2.90 -0.07 0.00 -3.07 0.00 0.00 36.82 37.49 1rrl h ILE 543 CO -0.39 0.92 -0.25 0.22 -0.69 0.00 0.00 178.15 177.96 1rrl h TYR 544 N 0.05 -0.67 -0.02 1.37 5.03 -1.78 -1.23 116.97 119.71 1rrl h TYR 544 Ca -0.09 0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.20 1rrl h TYR 544 Cb 1.90 0.33 -0.01 0.00 1.55 0.00 0.00 36.73 40.50 1rrl h TYR 544 CO 0.04 -0.33 -0.23 0.87 -1.32 0.00 0.00 178.16 177.19 1rrl h LYS 545 N -0.28 0.04 -0.00 1.82 1.57 -1.19 0.21 116.57 118.73 1rrl h LYS 545 Ca 0.12 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1rrl h LYS 545 Cb 0.47 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 1rrl h LYS 545 CO -0.36 0.28 -0.00 1.25 -0.57 0.00 0.00 179.45 180.05 1rrl h LEU 546 N 0.04 0.00 0.00 2.94 5.85 -1.10 -3.32 115.31 119.73 1rrl h LEU 546 Ca 0.01 -0.34 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 1rrl h LEU 546 Cb 0.44 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1rrl h LEU 546 CO 0.03 0.34 -0.83 -0.07 -0.34 0.00 0.00 178.44 177.57 1rrl h LEU 547 N -0.33 0.00 -0.78 2.25 4.07 -0.91 -3.38 115.31 116.22 1rrl h LEU 547 Ca 0.00 0.00 0.09 0.00 0.08 0.00 0.00 57.88 58.05 1rrl h LEU 547 Cb 0.34 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.01 1rrl h LEU 547 CO 0.00 0.28 0.43 -0.74 -1.08 0.00 0.00 178.44 177.34 1rrl h HIS 548 N 0.00 0.79 0.00 1.13 2.76 -0.68 -1.67 115.15 117.47 1rrl h HIS 548 Ca -0.05 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1rrl h HIS 548 Cb 1.26 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 29.98 1rrl h HIS 548 CO 0.00 0.32 -0.02 -1.35 -1.30 0.00 0.00 177.93 175.58 1rrl h PRO 549 N 0.74 0.00 -0.14 5.26 0.11 -1.78 -2.78 132.00 133.40 1rrl h PRO 549 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1rrl h PRO 549 Cb 0.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.46 1rrl h PRO 549 CO -0.25 0.02 0.00 0.72 -0.21 0.00 0.00 178.00 178.28 1rrl n HIS 550 N -3.22 0.19 0.13 0.65 8.25 -0.63 -3.32 115.22 117.27 1rrl n HIS 550 Ca -0.02 -0.10 0.02 0.00 -0.26 0.00 0.00 57.72 57.36 1rrl n HIS 550 Cb 0.15 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.27 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 -0.07 0.00 -1.65 4.41 4.01 -1.05 -4.40 117.16 118.41 1rrl n TYR 551 Ca 0.10 0.00 -0.48 0.00 -0.16 0.00 0.00 57.90 57.35 1rrl n TYR 551 Cb 0.17 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.15 1rrl n TYR 551 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1rrl n ARG 552 N 0.03 2.02 -0.94 -0.72 0.63 -1.21 -1.93 116.66 114.54 1rrl n ARG 552 Ca 0.02 0.71 0.00 0.00 -0.92 0.00 0.00 57.85 57.66 1rrl n ARG 552 Cb 0.07 -2.66 0.00 0.00 0.45 0.00 0.00 32.46 30.32 1rrl n ARG 552 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1rrl n ASP 553 N 7.42 -3.38 -0.06 6.15 2.03 -1.26 -4.22 116.55 123.24 1rrl n ASP 553 Ca 0.25 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.42 1rrl n ASP 553 Cb 0.30 -1.83 -0.06 0.00 -0.72 0.00 0.00 41.12 38.80 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 1.32 -0.04 5.18 2.02 -1.43 -1.35 112.91 118.61 1rrl h THR 554 Ca 0.00 -1.66 -0.10 0.00 0.77 0.00 0.00 66.41 65.42 1rrl h THR 554 Cb 0.38 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 1rrl h THR 554 CO 0.00 0.52 -0.45 0.24 0.37 0.00 0.00 175.52 176.20 1rrl h MET 555 N 0.35 0.10 0.03 6.66 2.86 -1.84 -1.15 114.93 121.94 1rrl h MET 555 Ca 0.00 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1rrl h MET 555 Cb 1.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.70 1rrl h MET 555 CO 0.10 0.53 -0.01 -0.97 1.06 0.00 0.00 176.91 177.61 1rrl h ASN 556 N 0.08 -0.03 0.48 1.22 -1.24 -1.69 0.42 115.58 114.82 1rrl h ASN 556 Ca 0.00 -0.21 -0.10 0.00 0.71 0.00 0.00 56.30 56.71 1rrl h ASN 556 Cb 0.83 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.87 1rrl h ASN 556 CO 0.06 0.19 -0.48 -0.29 -1.29 0.00 0.00 177.43 175.62 1rrl h ILE 557 N -0.26 1.35 -0.06 2.57 6.09 -1.18 -1.89 117.51 124.13 1rrl h ILE 557 Ca -0.00 -1.66 -0.17 0.00 -1.37 0.00 0.00 64.86 61.66 1rrl h ILE 557 Cb 0.24 1.89 -0.01 0.00 0.47 0.00 0.00 36.82 39.41 1rrl h ILE 557 CO 0.01 0.47 -0.71 0.78 -3.07 0.00 0.00 178.15 175.63 1rrl h ASN 558 N 0.01 0.36 0.37 2.19 2.35 -1.14 -1.27 115.58 118.44 1rrl h ASN 558 Ca -0.00 -0.23 -0.07 0.00 -0.55 0.00 0.00 56.30 55.44 1rrl h ASN 558 Cb 0.86 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 1rrl h ASN 558 CO 0.06 0.95 -0.33 1.23 -1.65 0.00 0.00 177.43 177.70 1rrl h GLY 559 N 1.46 0.00 0.30 2.83 0.00 0.21 -2.21 103.07 105.66 1rrl h GLY 559 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 1rrl h GLY 559 CO 0.11 0.00 -0.04 -2.00 0.00 0.00 0.00 176.54 174.61 1rrl h LEU 560 N 0.00 -0.11 -1.25 3.11 5.85 -1.20 -2.95 115.31 118.76 1rrl h LEU 560 Ca -0.00 -0.48 0.13 0.00 0.84 0.00 0.00 57.88 58.37 1rrl h LEU 560 Cb 0.60 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 1rrl h LEU 560 CO 0.04 0.52 0.58 0.00 -0.34 0.00 0.00 178.44 179.24 1rrl h ALA 561 N -0.13 1.78 -0.61 1.25 0.00 -1.14 0.90 119.26 121.31 1rrl h ALA 561 Ca -0.01 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1rrl h ALA 561 Cb 0.58 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1rrl h ALA 561 CO 0.02 -0.01 0.22 0.00 0.00 0.00 0.00 179.25 179.48 1rrl h ARG 562 N 0.74 0.94 -0.01 0.00 3.08 -1.50 0.64 114.38 118.27 1rrl h ARG 562 Ca 0.44 -0.19 -0.14 0.00 0.07 0.00 0.00 59.98 60.17 1rrl h ARG 562 Cb 0.65 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1rrl h ARG 562 CO -0.20 0.81 -0.65 1.25 -1.07 0.00 0.00 179.97 180.11 1rrl h LEU 563 N 0.86 0.03 0.00 3.04 5.85 -0.49 -3.36 115.31 121.25 1rrl h LEU 563 Ca 0.20 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1rrl h LEU 563 Cb 0.25 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1rrl h LEU 563 CO -0.01 0.67 -0.05 -1.20 -0.34 0.00 0.00 178.44 177.51 1rrl n SER 564 N -3.78 0.25 -0.06 1.25 7.64 0.28 -4.78 113.62 114.43 1rrl n SER 564 Ca -0.01 -0.02 -0.08 0.00 1.01 0.00 0.00 58.87 59.76 1rrl n SER 564 Cb 0.64 0.09 -0.05 0.00 -1.01 0.00 0.00 64.21 63.89 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 -0.12 2.78 -0.60 -3.43 4.32 0.17 -3.38 117.00 116.74 1rrl n LEU 565 Ca 0.00 -0.04 0.06 0.00 -0.02 0.00 0.00 56.01 56.01 1rrl n LEU 565 Cb 0.00 -0.39 0.17 0.00 -1.62 0.00 0.00 43.42 41.57 1rrl n LEU 565 CO 0.00 0.65 0.63 0.52 -1.22 0.00 0.00 177.39 177.97 1rrl n VAL 566 N -2.90 1.44 -2.85 4.08 0.31 0.16 -1.54 118.33 117.02 1rrl n VAL 566 Ca -0.20 -1.34 -0.20 0.00 -0.01 0.00 0.00 64.34 62.58 1rrl n VAL 566 Cb 0.71 0.23 0.06 0.00 -0.91 0.00 0.00 33.84 33.92 1rrl n VAL 566 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1rrl s ASN 567 N -1.39 5.08 -0.07 4.52 2.20 -1.25 -4.88 114.94 119.16 1rrl s ASN 567 Ca 0.26 -0.49 -0.30 0.00 -0.94 0.00 0.00 52.86 51.40 1rrl s ASN 567 Cb 0.18 -0.20 -0.03 0.00 -2.00 0.00 0.00 41.25 39.20 1rrl s ASN 567 CO 0.11 -1.29 1.25 1.51 -2.94 0.00 0.00 177.10 175.73 1rrl s ASP 568 N -4.57 6.99 -0.04 3.54 1.47 -0.43 -2.00 116.67 121.63 1rrl s ASP 568 Ca 0.61 1.83 0.00 0.00 1.18 0.00 0.00 52.55 56.17 1rrl s ASP 568 Cb -0.07 -2.55 0.00 0.00 -0.34 0.00 0.00 42.92 39.95 1rrl s ASP 568 CO 0.39 -0.65 0.00 0.61 0.68 0.00 0.00 175.17 176.20 1rrl n GLY 569 N 3.47 0.47 1.72 2.12 0.00 -1.26 -5.03 105.19 106.67 1rrl n GLY 569 Ca 0.12 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.83 -1.25 0.22 -0.02 0.00 -0.85 -4.69 105.19 95.77 1rrl n GLY 570 Ca -0.00 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 1rrl n GLY 570 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1rrl h VAL 571 N -1.32 1.29 -0.48 1.61 2.07 -1.56 0.60 116.25 118.45 1rrl h VAL 571 Ca -0.19 -1.31 -0.11 0.00 0.82 0.00 0.00 66.70 65.91 1rrl h VAL 571 Cb 0.53 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1rrl h VAL 571 CO 0.14 0.43 -0.11 0.40 0.02 0.00 0.00 177.57 178.44 1rrl h ILE 572 N 0.51 1.27 -0.34 4.57 2.04 -1.58 0.26 117.51 124.24 1rrl h ILE 572 Ca 0.07 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 1rrl h ILE 572 Cb 0.73 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1rrl h ILE 572 CO 0.05 0.43 0.16 -0.33 0.00 0.00 0.00 178.15 178.46 1rrl h GLU 573 N 0.77 0.48 0.00 2.37 5.08 -1.64 -0.30 114.58 121.35 1rrl h GLU 573 Ca 0.12 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 1rrl h GLU 573 Cb 0.66 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1rrl h GLU 573 CO 0.05 0.45 -0.46 1.96 -1.00 0.00 0.00 179.01 180.01 1rrl h GLN 574 N 0.40 0.00 0.01 2.33 4.20 0.85 -3.36 115.11 119.54 1rrl h GLN 574 Ca 0.11 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.45 1rrl h GLN 574 Cb 0.13 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.84 1rrl h GLN 574 CO -0.01 0.46 -2.36 2.41 -0.67 0.00 0.00 178.83 178.65 1rrl n THR 575 N -3.59 1.46 -3.91 -0.54 -1.04 0.86 -5.03 114.28 102.49 1rrl n THR 575 Ca -0.00 -0.74 -0.23 0.00 -2.04 0.00 0.00 64.05 61.04 1rrl n THR 575 Cb 0.56 -0.92 -0.06 0.00 -1.82 0.00 0.00 70.33 68.09 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 -2.51 2.66 0.22 -1.42 0.08 -0.15 -4.28 117.98 112.58 1rrl s PHE 576 Ca -0.20 -0.53 -0.09 0.00 0.12 0.00 0.00 56.93 56.23 1rrl s PHE 576 Cb 0.07 -2.02 0.19 0.00 -0.57 0.00 0.00 43.02 40.70 1rrl s PHE 576 CO 0.74 0.08 1.89 1.25 -0.10 0.00 0.00 175.22 179.08 1rrl h LEU 577 N 1.28 0.91 -0.46 -0.37 5.85 -1.62 -2.64 115.31 118.26 1rrl h LEU 577 Ca -0.42 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1rrl h LEU 577 Cb 1.26 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1rrl h LEU 577 CO 0.64 0.65 0.00 0.79 -0.34 0.00 0.00 178.44 180.19 1rrl n TRP 578 N -4.54 0.76 -0.53 1.25 8.01 -1.26 -4.96 117.44 116.18 1rrl n TRP 578 Ca 0.09 0.28 0.00 0.00 -1.31 0.00 0.00 57.50 56.55 1rrl n TRP 578 Cb 0.03 -0.95 0.00 0.00 -2.01 0.00 0.00 31.31 28.38 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 0.37 3.45 0.00 6.99 0.00 -1.00 -1.56 105.19 113.44 1rrl n GLY 579 Ca 0.03 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 13.94 0.18 -0.27 1.61 1.85 -1.26 -1.33 116.66 131.37 1rrl n ARG 580 Ca 0.00 0.16 0.12 0.00 -1.00 0.00 0.00 57.85 57.13 1rrl n ARG 580 Cb 0.00 -1.50 0.26 0.00 -1.05 0.00 0.00 32.46 30.17 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 -1.29 0.72 0.24 2.89 4.01 -0.60 -4.69 117.16 118.45 1rrl n TYR 581 Ca 0.06 -0.38 -0.15 0.00 -0.16 0.00 0.00 57.90 57.28 1rrl n TYR 581 Cb 0.10 -0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.05 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 4.27 -0.52 -0.48 7.72 0.02 -1.27 0.25 113.55 123.54 1rrl h SER 582 Ca 0.00 -0.08 -0.13 0.00 -0.84 0.00 0.00 61.79 60.75 1rrl h SER 582 Cb 0.97 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 1rrl h SER 582 CO 0.00 -0.22 -0.18 0.58 -1.14 0.00 0.00 176.83 175.87 1rrl h VAL 583 N -0.84 1.27 -0.54 2.27 2.07 -1.83 -1.11 116.25 117.53 1rrl h VAL 583 Ca -0.06 -1.34 -0.08 0.00 0.82 0.00 0.00 66.70 66.04 1rrl h VAL 583 Cb 0.57 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1rrl h VAL 583 CO 0.10 0.47 0.03 1.05 0.02 0.00 0.00 177.57 179.24 1rrl h GLU 584 N 0.86 0.91 -0.07 1.57 4.11 -1.85 -1.01 114.58 119.11 1rrl h GLU 584 Ca 0.12 -0.25 -0.05 0.00 0.07 0.00 0.00 59.36 59.25 1rrl h GLU 584 Cb 0.75 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1rrl h GLU 584 CO 0.06 0.88 -0.20 0.52 0.07 0.00 0.00 179.01 180.35 1rrl h MET 585 N 0.85 0.11 -0.11 1.06 2.86 -0.49 -2.13 114.93 117.08 1rrl h MET 585 Ca 0.16 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.74 1rrl h MET 585 Cb 0.46 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1rrl h MET 585 CO 0.02 0.31 -0.10 0.66 1.06 0.00 0.00 176.91 178.85 1rrl h SER 586 N 0.10 0.15 -0.22 1.22 4.64 0.10 -2.06 113.55 117.47 1rrl h SER 586 Ca 0.02 -0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1rrl h SER 586 Cb 0.41 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1rrl h SER 586 CO 0.03 0.28 -0.47 0.00 -0.87 0.00 0.00 176.83 175.79 1rrl h ALA 587 N 1.74 0.35 -0.80 5.18 0.00 -1.13 -2.13 119.26 122.47 1rrl h ALA 587 Ca 0.03 -0.48 0.06 0.00 0.00 0.00 0.00 54.91 54.52 1rrl h ALA 587 Cb 0.29 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1rrl h ALA 587 CO 0.02 0.51 0.49 0.28 0.00 0.00 0.00 179.25 180.54 1rrl h VAL 588 N 0.42 1.02 0.00 0.00 2.07 -1.30 -1.11 116.25 117.34 1rrl h VAL 588 Ca 0.00 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 1rrl h VAL 588 Cb 1.08 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1rrl h VAL 588 CO 0.10 0.16 -0.26 0.58 0.02 0.00 0.00 177.57 178.18 1rrl h VAL 589 N 0.88 0.85 0.00 2.57 2.07 -1.18 -2.80 116.25 118.64 1rrl h VAL 589 Ca 0.35 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1rrl h VAL 589 Cb 0.18 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1rrl h VAL 589 CO -0.18 0.25 0.00 0.22 0.02 0.00 0.00 177.57 177.89 1rrl h TYR 590 N 0.00 0.00 -0.14 1.57 3.20 -0.52 -0.92 116.97 120.15 1rrl h TYR 590 Ca -0.00 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.91 1rrl h TYR 590 Cb 0.59 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1rrl h TYR 590 CO 0.00 0.00 0.20 0.87 -1.64 0.00 0.00 178.16 177.59 1rrl h LYS 591 N 0.00 0.00 0.00 1.82 1.57 -1.20 -1.27 116.57 117.50 1rrl h LYS 591 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rrl h LYS 591 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1rrl h LYS 591 CO 0.00 0.00 -1.04 -0.25 -0.57 0.00 0.00 179.45 177.59 1rrl n ASP 592 N -3.60 0.86 -4.59 0.86 8.00 -0.36 -4.94 116.55 112.78 1rrl n ASP 592 Ca 0.01 -0.84 -0.46 0.00 0.71 0.00 0.00 54.79 54.20 1rrl n ASP 592 Cb 0.31 1.11 -0.04 0.00 -0.02 0.00 0.00 41.12 42.48 1rrl n ASP 592 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1rrl n TRP 593 N -1.55 2.04 -4.02 1.24 -0.00 -0.48 -4.97 117.44 109.70 1rrl n TRP 593 Ca 0.03 -0.04 -0.34 0.00 -0.00 0.00 0.00 57.50 57.15 1rrl n TRP 593 Cb 0.33 -2.68 -0.15 0.00 -0.00 0.00 0.00 31.31 28.81 1rrl n TRP 593 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 1rrl s VAL 594 N 6.64 2.57 0.27 5.87 -7.23 -1.26 -5.04 120.40 122.22 1rrl s VAL 594 Ca 1.00 -1.03 -0.09 0.00 -1.81 0.00 0.00 61.98 60.05 1rrl s VAL 594 Cb -0.55 -2.25 0.42 0.00 0.56 0.00 0.00 36.38 34.56 1rrl s VAL 594 CO 0.43 0.30 1.57 0.15 -0.31 0.00 0.00 175.10 177.24 1rrl h PHE 595 N 7.97 -0.48 0.00 2.82 3.57 -1.95 -0.94 116.94 127.93 1rrl h PHE 595 Ca -0.36 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1rrl h PHE 595 Cb 1.11 0.36 0.00 0.00 2.79 0.00 0.00 35.95 40.21 1rrl h PHE 595 CO 0.55 -0.40 0.00 0.25 -2.23 0.00 0.00 178.31 176.48 1rrl n THR 596 N -5.59 0.66 1.36 4.41 -2.24 -1.26 -1.59 114.28 110.03 1rrl n THR 596 Ca 0.15 -0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.06 1rrl n THR 596 Cb 0.48 -0.84 0.43 0.00 -2.10 0.00 0.00 70.33 68.29 1rrl n THR 596 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1rrl n ASP 597 N -2.10 1.42 0.00 3.42 9.92 -0.37 -3.08 116.55 125.77 1rrl n ASP 597 Ca 0.04 -1.30 0.13 0.00 -0.53 0.00 0.00 54.79 53.13 1rrl n ASP 597 Cb 0.32 0.07 0.39 0.00 -0.64 0.00 0.00 41.12 41.25 1rrl n ASP 597 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rrl n GLN 598 N -0.07 0.01 -1.79 -1.24 1.13 -0.62 -3.31 117.38 111.49 1rrl n GLN 598 Ca 0.16 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.80 1rrl n GLN 598 Cb 0.37 -1.51 -0.03 0.00 0.11 0.00 0.00 30.24 29.18 1rrl n GLN 598 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1rrl s ALA 599 N -3.00 3.85 0.20 -1.58 0.00 -1.18 -4.90 121.76 115.15 1rrl s ALA 599 Ca 0.12 1.48 -0.13 0.00 0.00 0.00 0.00 51.96 53.42 1rrl s ALA 599 Cb 0.18 -3.69 0.23 0.00 0.00 0.00 0.00 23.12 19.83 1rrl s ALA 599 CO 0.64 -0.97 1.64 1.25 0.00 0.00 0.00 175.76 178.32 1rrl h LEU 600 N 7.32 -0.48 -1.12 0.00 5.85 -1.91 0.00 115.31 124.96 1rrl h LEU 600 Ca -0.43 0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.47 1rrl h LEU 600 Cb 1.20 0.34 -0.05 0.00 0.37 0.00 0.00 40.66 42.53 1rrl h LEU 600 CO 0.94 -0.18 0.59 -0.65 -0.34 0.00 0.00 178.44 178.81 1rrl h PRO 601 N 0.02 1.15 -0.55 5.25 0.11 -1.95 -1.62 132.00 134.41 1rrl h PRO 601 Ca 0.29 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.26 1rrl h PRO 601 Cb 0.45 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 1rrl h PRO 601 CO -0.58 0.76 0.05 0.00 -0.21 0.00 0.00 178.00 178.02 1rrl h ALA 602 N 1.45 1.05 -0.45 -0.75 0.00 -1.32 -0.74 119.26 118.50 1rrl h ALA 602 Ca 0.34 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1rrl h ALA 602 Cb -0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1rrl h ALA 602 CO -0.08 0.60 -0.18 0.22 0.00 0.00 0.00 179.25 179.81 1rrl h ASP 603 N 0.85 0.89 -0.40 0.00 3.58 -1.10 -1.64 116.42 118.59 1rrl h ASP 603 Ca 0.17 -0.31 -0.13 0.00 0.42 0.00 0.00 57.03 57.18 1rrl h ASP 603 Cb 0.43 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 1rrl h ASP 603 CO 0.02 1.06 -0.25 -0.07 -2.88 0.00 0.00 179.24 177.11 1rrl h LEU 604 N 0.77 0.92 -0.06 2.28 4.07 -0.18 -1.60 115.31 121.52 1rrl h LEU 604 Ca 0.11 -0.42 -0.25 0.00 0.08 0.00 0.00 57.88 57.40 1rrl h LEU 604 Cb 0.72 -0.25 0.02 0.00 1.08 0.00 0.00 40.66 42.22 1rrl h LEU 604 CO 0.06 1.14 -0.99 0.40 -1.08 0.00 0.00 178.44 177.97 1rrl h ILE 605 N 0.70 1.30 -0.19 1.22 2.04 -1.21 0.25 117.51 121.62 1rrl h ILE 605 Ca 0.08 -2.23 -0.02 0.00 1.00 0.00 0.00 64.86 63.69 1rrl h ILE 605 Cb 0.82 2.32 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 1rrl h ILE 605 CO 0.07 0.69 0.04 0.50 0.00 0.00 0.00 178.15 179.45 1rrl h LYS 606 N 0.39 0.31 -0.17 2.37 3.64 -1.27 -1.59 116.57 120.26 1rrl h LYS 606 Ca -0.11 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1rrl h LYS 606 Cb 1.63 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.41 1rrl h LYS 606 CO 0.19 0.46 0.00 0.54 -2.27 0.00 0.00 179.45 178.37 1rrl n ARG 607 N -4.76 0.94 -1.13 1.90 1.74 -0.60 -4.86 116.66 109.88 1rrl n ARG 607 Ca -0.04 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.99 1rrl n ARG 607 Cb 0.18 -1.08 -0.02 0.00 -1.02 0.00 0.00 32.46 30.52 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 0.37 0.56 0.07 -0.13 0.00 -0.60 -1.03 105.19 104.43 1rrl n GLY 608 Ca 0.00 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.86 0.64 -4.43 1.61 2.81 0.67 -4.45 117.12 113.12 1rrl n MET 609 Ca -0.04 0.02 -0.25 0.00 -1.81 0.00 0.00 57.70 55.61 1rrl n MET 609 Cb 0.40 -1.68 -0.11 0.00 -0.71 0.00 0.00 33.22 31.12 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 -3.24 2.52 -0.03 3.04 0.00 -0.00 -0.82 121.76 123.22 1rrl s ALA 610 Ca -0.05 -1.72 0.01 0.00 0.00 0.00 0.00 51.96 50.21 1rrl s ALA 610 Cb 0.11 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.97 1rrl s ALA 610 CO 0.84 0.33 -0.04 -1.50 0.00 0.00 0.00 175.76 175.39 1rrl s ILE 611 N -2.12 0.44 -0.35 0.00 1.10 -0.48 -4.11 121.20 115.69 1rrl s ILE 611 Ca 0.24 -0.11 -0.40 0.00 -0.51 0.00 0.00 60.65 59.87 1rrl s ILE 611 Cb -0.06 -0.46 -0.16 0.00 0.15 0.00 0.00 42.46 41.93 1rrl s ILE 611 CO 0.11 0.19 1.89 1.21 -2.11 0.00 0.00 174.94 176.23 1rrl n GLU 612 N 3.82 0.85 -3.61 3.50 2.13 -1.26 0.62 120.64 126.69 1rrl n GLU 612 Ca -0.23 0.29 -0.21 0.00 0.66 0.00 0.00 57.16 57.67 1rrl n GLU 612 Cb 0.52 -2.03 -0.16 0.00 0.27 0.00 0.00 31.44 30.04 1rrl n GLU 612 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1rrl s ASP 613 N 4.69 1.45 -0.10 4.31 -1.08 0.15 -4.84 116.67 121.26 1rrl s ASP 613 Ca 1.05 -0.13 -0.00 0.00 -0.52 0.00 0.00 52.55 52.95 1rrl s ASP 613 Cb -1.13 0.07 0.08 0.00 -1.46 0.00 0.00 42.92 40.49 1rrl s ASP 613 CO 0.64 -0.30 1.80 -0.81 0.52 0.00 0.00 175.17 177.03 1rrl n PRO 614 N 5.31 1.26 -0.31 4.34 -0.04 -1.26 -2.96 135.00 141.34 1rrl n PRO 614 Ca -0.05 -0.52 0.01 0.00 -0.04 0.00 0.00 63.50 62.89 1rrl n PRO 614 Cb 0.50 -1.20 0.01 0.00 -0.04 0.00 0.00 33.50 32.76 1rrl n PRO 614 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1rrl n SER 615 N 0.90 0.32 -4.35 3.54 2.88 -1.26 -5.02 113.62 110.63 1rrl n SER 615 Ca 0.10 -1.85 -0.21 0.00 -1.33 0.00 0.00 58.87 55.58 1rrl n SER 615 Cb 0.56 -0.16 -0.11 0.00 -0.75 0.00 0.00 64.21 63.76 1rrl n SER 615 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rrl n PRO 617 N -0.03 -0.27 -0.58 0.00 -0.02 -1.26 -2.54 135.00 130.29 1rrl n PRO 617 Ca -0.11 1.18 0.08 0.00 -2.02 0.00 0.00 63.50 62.63 1rrl n PRO 617 Cb 0.58 -1.74 0.31 0.00 -0.02 0.00 0.00 33.50 32.64 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 -4.41 1.34 -1.00 6.00 8.25 -1.26 -4.90 115.22 119.23 1rrl n HIS 618 Ca 0.01 -0.73 0.00 0.00 -0.26 0.00 0.00 57.72 56.74 1rrl n HIS 618 Cb 0.16 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 30.95 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 0.32 0.65 3.11 -1.41 0.00 -1.05 -5.01 105.19 101.80 1rrl n GLY 619 Ca 0.23 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.59 0.41 -0.07 -0.61 -4.36 -1.22 -0.67 121.20 112.08 1rrl s ILE 620 Ca 0.00 -1.78 0.03 0.00 -0.26 0.00 0.00 60.65 58.64 1rrl s ILE 620 Cb 0.00 -1.48 0.01 0.00 1.25 0.00 0.00 42.46 42.24 1rrl s ILE 620 CO 0.00 -0.90 -0.15 0.00 0.24 0.00 0.00 174.94 174.13 1rrl s ARG 621 N -3.66 1.90 0.38 0.37 1.70 0.20 -4.60 118.95 115.24 1rrl s ARG 621 Ca 0.07 -0.50 -0.25 0.00 -0.47 0.00 0.00 55.73 54.57 1rrl s ARG 621 Cb 0.05 -1.55 -0.09 0.00 -0.57 0.00 0.00 34.95 32.80 1rrl s ARG 621 CO -0.07 0.08 1.08 -0.51 -1.08 0.00 0.00 175.30 174.79 1rrl s LEU 622 N 0.53 4.21 0.09 -1.89 1.43 -1.26 -1.38 118.68 120.41 1rrl s LEU 622 Ca -0.14 2.13 0.24 0.00 -1.03 0.00 0.00 54.13 55.32 1rrl s LEU 622 Cb -0.15 -4.08 0.24 0.00 0.03 0.00 0.00 46.19 42.23 1rrl s LEU 622 CO 0.04 -0.48 1.21 1.33 0.23 0.00 0.00 176.35 178.69 1rrl n VAL 623 N 0.13 0.27 -4.07 -1.59 0.24 -0.00 -4.40 118.33 108.91 1rrl n VAL 623 Ca 0.04 -0.25 -0.32 0.00 -2.04 0.00 0.00 64.34 61.77 1rrl n VAL 623 Cb 0.48 0.01 -0.15 0.00 -1.47 0.00 0.00 33.84 32.71 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 -3.17 2.15 0.18 1.34 1.01 -1.26 -4.99 121.20 116.46 1rrl s ILE 624 Ca 0.05 -1.59 -0.16 0.00 0.00 0.00 0.00 60.65 58.95 1rrl s ILE 624 Cb 0.14 -2.25 0.13 0.00 0.01 0.00 0.00 42.46 40.50 1rrl s ILE 624 CO 0.75 0.00 1.66 -0.33 0.00 0.00 0.00 174.94 177.02 1rrl h GLU 625 N 7.78 -0.00 -3.07 2.79 5.08 -1.94 -3.19 114.58 122.03 1rrl h GLU 625 Ca -0.21 0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 57.40 1rrl h GLU 625 Cb 1.05 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.15 1rrl h GLU 625 CO 0.47 -0.00 2.12 -3.47 -1.00 0.00 0.00 179.01 177.13 1rrl n ASP 626 N -5.34 6.46 -4.00 1.42 2.03 -1.26 -4.74 116.55 111.12 1rrl n ASP 626 Ca 0.04 -3.15 -0.32 0.00 0.52 0.00 0.00 54.79 51.88 1rrl n ASP 626 Cb 0.25 -1.41 -0.13 0.00 -0.72 0.00 0.00 41.12 39.11 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 -0.52 3.38 0.07 -0.67 6.14 -1.21 -4.76 117.35 119.78 1rrl s TYR 627 Ca 0.45 -3.01 -0.35 0.00 0.64 0.00 0.00 57.07 54.80 1rrl s TYR 627 Cb 0.13 -2.94 -0.19 0.00 0.42 0.00 0.00 41.96 39.38 1rrl s TYR 627 CO -0.03 -0.82 1.60 -1.35 0.64 0.00 0.00 175.55 175.58 1rrl h PRO 628 N 6.93 -1.05 -0.99 4.97 0.11 -1.85 0.49 132.00 140.62 1rrl h PRO 628 Ca -0.06 0.07 0.40 0.00 0.11 0.00 0.00 66.00 66.52 1rrl h PRO 628 Cb 0.94 0.24 -0.16 0.00 0.11 0.00 0.00 31.00 32.13 1rrl h PRO 628 CO 0.66 -0.70 0.56 0.98 -0.21 0.00 0.00 178.00 179.29 1rrl n TYR 629 N -5.57 1.01 -0.03 0.65 9.36 -1.19 -1.29 117.16 120.10 1rrl n TYR 629 Ca -0.14 1.02 -0.00 0.00 3.32 0.00 0.00 57.90 62.10 1rrl n TYR 629 Cb 0.45 -1.43 -0.14 0.00 -0.63 0.00 0.00 39.34 37.58 1rrl n TYR 629 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 1rrl n THR 630 N -5.01 0.85 -0.01 2.97 5.66 -0.27 -1.30 114.28 117.17 1rrl n THR 630 Ca 0.36 -0.69 -0.07 0.00 -3.05 0.00 0.00 64.05 60.59 1rrl n THR 630 Cb 1.24 -0.37 0.11 0.00 -1.55 0.00 0.00 70.33 69.76 1rrl n THR 630 CO 0.00 0.00 0.00 -0.37 -3.05 0.00 0.00 175.07 171.65 1rrl h VAL 631 N 0.00 1.29 -0.05 1.08 -1.51 0.39 -1.77 116.25 115.68 1rrl h VAL 631 Ca -0.26 -1.53 -0.24 0.00 -1.23 0.00 0.00 66.70 63.44 1rrl h VAL 631 Cb 1.64 1.51 0.01 0.00 -2.13 0.00 0.00 31.29 32.32 1rrl h VAL 631 CO 0.02 0.49 -0.93 0.44 -1.23 0.00 0.00 177.57 176.36 1rrl h ASP 632 N 0.48 0.82 -0.74 4.19 5.19 -1.30 -2.92 116.42 122.14 1rrl h ASP 632 Ca 0.05 -0.61 -0.04 0.00 -0.62 0.00 0.00 57.03 55.80 1rrl h ASP 632 Cb 0.88 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 40.11 1rrl h ASP 632 CO 0.08 1.41 0.29 1.23 -3.12 0.00 0.00 179.24 179.13 1rrl h GLY 633 N 0.67 1.19 1.00 2.75 0.00 -1.11 -2.05 103.07 105.52 1rrl h GLY 633 Ca -0.09 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.57 1rrl h GLY 633 CO 0.18 0.61 0.31 1.41 0.00 0.00 0.00 176.54 179.05 1rrl h LEU 634 N 1.06 0.87 -0.51 3.11 3.38 -1.32 0.42 115.31 122.32 1rrl h LEU 634 Ca 0.25 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1rrl h LEU 634 Cb 0.21 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 1rrl h LEU 634 CO -0.02 0.76 0.24 -0.33 0.09 0.00 0.00 178.44 179.18 1rrl h GLU 635 N 0.92 0.45 -0.51 1.13 4.39 -1.26 -2.31 114.58 117.38 1rrl h GLU 635 Ca 0.23 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.81 1rrl h GLU 635 Cb 0.12 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1rrl h GLU 635 CO -0.03 0.30 -0.03 0.82 -1.16 0.00 0.00 179.01 178.91 1rrl h ILE 636 N 0.46 1.26 0.07 3.13 1.08 -0.63 -2.65 117.51 120.23 1rrl h ILE 636 Ca 0.23 -1.10 -0.00 0.00 -0.39 0.00 0.00 64.86 63.60 1rrl h ILE 636 Cb 0.17 0.89 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 1rrl h ILE 636 CO -0.18 0.39 -0.03 -0.25 -0.69 0.00 0.00 178.15 177.38 1rrl h TRP 637 N 0.81 -0.09 0.00 1.37 2.91 0.04 -2.04 115.95 118.96 1rrl h TRP 637 Ca 0.15 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.15 1rrl h TRP 637 Cb 0.52 0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.20 1rrl h TRP 637 CO 0.03 0.23 -0.06 -0.44 -1.03 0.00 0.00 178.44 177.17 1rrl h ASP 638 N -0.41 0.00 -0.16 2.65 5.19 -1.46 -0.78 116.42 121.45 1rrl h ASP 638 Ca -0.01 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.18 1rrl h ASP 638 Cb 0.35 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.87 1rrl h ASP 638 CO 0.02 0.06 -0.76 0.00 -3.12 0.00 0.00 179.24 175.44 1rrl h ALA 639 N 1.94 0.33 -0.28 3.45 0.00 -1.07 -1.65 119.26 121.97 1rrl h ALA 639 Ca -0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 1rrl h ALA 639 Cb 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1rrl h ALA 639 CO 0.01 0.69 -0.00 0.82 0.00 0.00 0.00 179.25 180.76 1rrl h ILE 640 N 0.56 1.26 -0.09 0.00 2.04 -0.91 -1.02 117.51 119.35 1rrl h ILE 640 Ca -0.05 -0.94 -0.17 0.00 1.00 0.00 0.00 64.86 64.71 1rrl h ILE 640 Cb 1.39 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 1rrl h ILE 640 CO 0.16 0.30 -0.67 0.50 0.00 0.00 0.00 178.15 178.43 1rrl h LYS 641 N 0.29 0.38 -0.68 2.37 3.64 -1.21 0.31 116.57 121.68 1rrl h LYS 641 Ca 0.08 -0.29 -0.06 0.00 -1.27 0.00 0.00 60.65 59.11 1rrl h LYS 641 Cb 0.43 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1rrl h LYS 641 CO 0.02 0.92 0.19 1.15 -2.27 0.00 0.00 179.45 179.46 1rrl h THR 642 N 0.27 1.25 -0.32 1.00 2.02 -1.19 0.25 112.91 116.19 1rrl h THR 642 Ca -0.02 -0.89 -0.16 0.00 0.77 0.00 0.00 66.41 66.11 1rrl h THR 642 Cb 1.23 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1rrl h THR 642 CO 0.11 0.34 -0.44 -0.25 0.37 0.00 0.00 175.52 175.66 1rrl h TRP 643 N 1.01 1.00 -0.03 3.16 -0.00 -0.11 -2.05 115.95 118.93 1rrl h TRP 643 Ca 0.22 -0.31 -0.14 0.00 -0.00 0.00 0.00 58.89 58.65 1rrl h TRP 643 Cb 0.31 -0.20 -0.02 0.00 -0.00 0.00 0.00 29.16 29.25 1rrl h TRP 643 CO 0.02 1.11 -0.65 0.28 -0.00 0.00 0.00 178.44 179.21 1rrl h VAL 644 N 0.66 1.43 -0.22 2.65 2.07 -0.31 -1.71 116.25 120.81 1rrl h VAL 644 Ca 0.04 -2.14 -0.12 0.00 0.82 0.00 0.00 66.70 65.30 1rrl h VAL 644 Cb 1.01 2.13 -0.00 0.00 -1.52 0.00 0.00 31.29 32.92 1rrl h VAL 644 CO 0.10 0.62 -0.32 -0.74 0.02 0.00 0.00 177.57 177.25 1rrl h HIS 645 N 0.08 0.75 0.00 1.57 -0.00 -0.87 -1.40 115.15 115.29 1rrl h HIS 645 Ca -0.01 -0.25 -0.05 0.00 -0.00 0.00 0.00 60.37 60.06 1rrl h HIS 645 Cb 1.15 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 28.41 1rrl h HIS 645 CO 0.01 0.98 -0.25 0.93 -0.00 0.00 0.00 177.93 179.60 1rrl h GLU 646 N 0.30 0.00 0.11 5.26 5.08 -1.18 -1.95 114.58 122.21 1rrl h GLU 646 Ca 0.02 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.14 1rrl h GLU 646 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1rrl h GLU 646 CO 0.07 0.25 -1.18 -0.92 -1.00 0.00 0.00 179.01 176.23 1rrl h TYR 647 N 0.00 0.44 -0.02 4.33 5.03 -1.17 -2.44 116.97 123.13 1rrl h TYR 647 Ca -0.00 -0.32 -0.00 0.00 2.58 0.00 0.00 58.73 60.98 1rrl h TYR 647 Cb 0.64 -0.02 -0.00 0.00 1.55 0.00 0.00 36.73 38.90 1rrl h TYR 647 CO 0.00 1.46 0.01 0.28 -1.32 0.00 0.00 178.16 178.59 1rrl h VAL 648 N -0.38 1.12 0.00 1.81 2.07 -1.28 -2.76 116.25 116.83 1rrl h VAL 648 Ca -0.25 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1rrl h VAL 648 Cb 1.68 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 1rrl h VAL 648 CO 0.07 0.09 0.00 0.49 0.02 0.00 0.00 177.57 178.25 1rrl n PHE 649 N -5.00 0.00 0.05 1.57 3.01 -0.73 -1.89 117.46 114.48 1rrl n PHE 649 Ca -0.07 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.26 1rrl n PHE 649 Cb 0.10 -0.07 -0.14 0.00 -0.01 0.00 0.00 39.48 39.36 1rrl n PHE 649 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1rrl h LEU 650 N 0.00 0.24 0.08 4.37 6.46 -1.12 -3.40 115.31 121.94 1rrl h LEU 650 Ca 0.00 -0.32 -0.37 0.00 -0.12 0.00 0.00 57.88 57.07 1rrl h LEU 650 Cb 0.04 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 39.85 1rrl h LEU 650 CO 0.00 1.27 -2.15 -1.22 -0.62 0.00 0.00 178.44 175.72 1rrl n TYR 651 N -3.38 0.83 -3.50 1.25 4.01 -0.87 -4.86 117.16 110.64 1rrl n TYR 651 Ca -0.12 0.18 -0.42 0.00 -0.16 0.00 0.00 57.90 57.39 1rrl n TYR 651 Cb 1.02 -1.11 -0.10 0.00 -0.31 0.00 0.00 39.34 38.83 1rrl n TYR 651 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1rrl s TYR 652 N -2.55 3.23 -0.21 -0.72 2.02 -0.79 -4.97 117.35 113.37 1rrl s TYR 652 Ca -0.26 -0.43 0.21 0.00 -0.37 0.00 0.00 57.07 56.22 1rrl s TYR 652 Cb 0.07 -2.54 0.38 0.00 -0.40 0.00 0.00 41.96 39.48 1rrl s TYR 652 CO 0.72 -0.49 1.60 0.87 -1.57 0.00 0.00 175.55 176.68 1rrl h LYS 653 N 8.56 0.00 -3.38 -0.62 1.57 -1.89 -3.43 116.57 117.38 1rrl h LYS 653 Ca -0.29 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.46 1rrl h LYS 653 Cb 1.14 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.38 1rrl h LYS 653 CO 0.69 0.24 0.05 -1.54 -0.57 0.00 0.00 179.45 178.31 1rrl s SER 654 N -6.28 -0.03 0.22 0.86 1.04 -1.26 -5.01 113.70 103.25 1rrl s SER 654 Ca 0.04 -0.91 0.03 0.00 0.48 0.00 0.00 55.95 55.59 1rrl s SER 654 Cb 0.07 0.68 0.20 0.00 0.10 0.00 0.00 66.02 67.07 1rrl s SER 654 CO 0.69 -1.31 1.53 0.44 0.98 0.00 0.00 173.24 175.57 1rrl h ASP 655 N 2.12 0.32 -0.97 7.02 3.32 -1.92 -2.97 116.42 123.33 1rrl h ASP 655 Ca -0.25 -0.19 0.05 0.00 0.02 0.00 0.00 57.03 56.66 1rrl h ASP 655 Cb 1.25 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.65 1rrl h ASP 655 CO 0.32 0.87 0.63 0.44 -1.72 0.00 0.00 179.24 179.78 1rrl h ASP 656 N 0.20 1.03 -0.27 6.45 3.45 -1.96 -1.89 116.42 123.43 1rrl h ASP 656 Ca -0.01 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.42 1rrl h ASP 656 Cb 1.16 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 39.69 1rrl h ASP 656 CO 0.10 0.68 0.07 0.71 -1.57 0.00 0.00 179.24 179.23 1rrl h THR 657 N 1.18 1.17 -0.32 0.35 1.35 -1.91 0.92 112.91 115.65 1rrl h THR 657 Ca 0.40 -0.62 -0.02 0.00 -0.55 0.00 0.00 66.41 65.63 1rrl h THR 657 Cb 0.08 0.84 -0.01 0.00 -1.73 0.00 0.00 68.15 67.33 1rrl h THR 657 CO -0.15 0.22 0.13 0.25 -0.25 0.00 0.00 175.52 175.72 1rrl h LEU 658 N 0.50 0.44 -1.08 3.87 5.85 -1.48 -2.54 115.31 120.87 1rrl h LEU 658 Ca 0.12 -0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.58 1rrl h LEU 658 Cb 0.22 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1rrl h LEU 658 CO -0.00 0.48 -0.42 0.03 -0.34 0.00 0.00 178.44 178.20 1rrl h ARG 659 N 0.36 0.00 0.00 1.25 3.08 -0.44 -2.00 114.38 116.64 1rrl h ARG 659 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1rrl h ARG 659 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1rrl h ARG 659 CO -0.01 0.42 0.00 0.93 -1.07 0.00 0.00 179.97 180.24 1rrl h GLU 660 N 0.00 0.00 -6.01 0.04 5.08 -0.81 -3.43 114.58 109.45 1rrl h GLU 660 Ca -0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 1rrl h GLU 660 Cb 0.82 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.02 1rrl h GLU 660 CO 0.05 0.00 1.20 0.34 -1.00 0.00 0.00 179.01 179.61 1rrl s ASP 661 N -5.54 5.48 0.47 1.42 -1.08 -0.75 -4.88 116.67 111.80 1rrl s ASP 661 Ca 0.04 -0.08 0.27 0.00 -0.52 0.00 0.00 52.55 52.25 1rrl s ASP 661 Cb 0.08 -2.54 0.75 0.00 -1.46 0.00 0.00 42.92 39.75 1rrl s ASP 661 CO 0.56 -2.30 1.76 1.55 0.52 0.00 0.00 175.17 177.26 1rrl h PRO 662 N 13.13 0.00 0.04 4.34 0.13 -1.86 -2.00 132.00 145.78 1rrl h PRO 662 Ca -0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1rrl h PRO 662 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1rrl h PRO 662 CO 1.24 0.00 -0.02 0.93 -0.23 0.00 0.00 178.00 179.92 1rrl h GLU 663 N 0.00 -0.05 -0.61 0.86 5.08 -1.90 -1.79 114.58 116.18 1rrl h GLU 663 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1rrl h GLU 663 Cb 0.80 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 1rrl h GLU 663 CO 0.00 0.58 0.38 1.25 -1.00 0.00 0.00 179.01 180.21 1rrl h LEU 664 N -0.75 0.61 -0.45 1.33 5.85 -1.79 -1.35 115.31 118.77 1rrl h LEU 664 Ca -0.01 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1rrl h LEU 664 Cb 0.65 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1rrl h LEU 664 CO 0.01 0.42 0.09 1.56 -0.34 0.00 0.00 178.44 180.18 1rrl h GLN 665 N 0.74 0.73 -0.04 1.25 1.08 -1.39 -1.38 115.11 116.10 1rrl h GLN 665 Ca 0.25 -0.19 -0.13 0.00 -1.45 0.00 0.00 58.65 57.12 1rrl h GLN 665 Cb 0.03 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 1rrl h GLN 665 CO -0.10 0.75 -0.58 0.00 -0.95 0.00 0.00 178.83 177.94 1rrl h ALA 666 N 0.96 0.94 -0.66 3.87 0.00 -1.18 -2.15 119.26 121.03 1rrl h ALA 666 Ca 0.14 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1rrl h ALA 666 Cb 0.36 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1rrl h ALA 666 CO 0.01 0.72 0.10 0.00 0.00 0.00 0.00 179.25 180.07 1rrl h TRP 668 N 1.03 0.00 -0.30 0.00 2.91 -1.21 -2.58 115.95 115.80 1rrl h TRP 668 Ca 0.20 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.19 1rrl h TRP 668 Cb 0.45 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.09 1rrl h TRP 668 CO 0.03 0.72 0.07 -0.22 -1.03 0.00 0.00 178.44 178.01 1rrl h LYS 669 N 0.00 0.49 0.00 2.65 3.64 -1.37 -2.47 116.57 119.51 1rrl h LYS 669 Ca -0.10 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.05 1rrl h LYS 669 Cb 1.64 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.38 1rrl h LYS 669 CO 0.08 0.57 -0.48 1.49 -2.27 0.00 0.00 179.45 178.84 1rrl h GLU 670 N 0.32 0.00 0.44 1.90 4.81 -1.45 0.69 114.58 121.29 1rrl h GLU 670 Ca 0.09 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1rrl h GLU 670 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1rrl h GLU 670 CO 0.00 0.48 -0.21 1.25 -0.73 0.00 0.00 179.01 179.80 1rrl h LEU 671 N 0.00 -0.50 -0.06 1.64 7.12 -1.46 0.20 115.31 122.25 1rrl h LEU 671 Ca -0.00 -0.09 -0.02 0.00 0.13 0.00 0.00 57.88 57.90 1rrl h LEU 671 Cb 0.94 0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 41.20 1rrl h LEU 671 CO 0.06 -0.18 -0.03 0.58 -0.13 0.00 0.00 178.44 178.74 1rrl h VAL 672 N -0.85 1.33 0.00 1.05 2.07 -1.04 0.68 116.25 119.50 1rrl h VAL 672 Ca -0.06 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1rrl h VAL 672 Cb 0.56 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1rrl h VAL 672 CO 0.10 0.29 -0.45 -0.33 0.02 0.00 0.00 177.57 177.20 1rrl h GLU 673 N -0.25 0.00 0.00 1.57 5.08 -1.01 -3.20 114.58 116.77 1rrl h GLU 673 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1rrl h GLU 673 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1rrl h GLU 673 CO 0.01 0.00 -0.19 0.28 -1.00 0.00 0.00 179.01 178.11 1rrl n VAL 674 N -2.89 0.94 -0.11 3.13 0.31 -0.88 -4.33 118.33 114.50 1rrl n VAL 674 Ca 0.02 0.31 -0.09 0.00 -0.01 0.00 0.00 64.34 64.57 1rrl n VAL 674 Cb 0.54 -1.52 -0.01 0.00 -0.91 0.00 0.00 33.84 31.93 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 0.55 -4.23 2.92 0.00 0.28 -1.69 103.07 100.90 1rrl h GLY 675 Ca 0.00 -0.28 -0.63 0.00 0.00 0.00 0.00 47.33 46.42 1rrl h GLY 675 CO 0.00 0.27 -0.10 1.42 0.00 0.00 0.00 176.54 178.13 1rrl n HIS 676 N -4.72 3.08 0.25 5.60 8.25 0.20 -2.58 115.22 125.30 1rrl n HIS 676 Ca -0.01 -2.66 0.16 0.00 -0.26 0.00 0.00 57.72 54.95 1rrl n HIS 676 Cb 0.12 -0.66 0.83 0.00 1.12 0.00 0.00 29.99 31.40 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 2.39 0.00 2.00 -1.41 0.00 -1.29 0.54 103.07 105.30 1rrl h GLY 677 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1rrl h GLY 677 CO 1.09 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 177.08 1rrl h ASP 678 N 0.00 0.00 -0.65 0.19 3.32 -1.84 -2.72 116.42 114.72 1rrl h ASP 678 Ca 0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 1rrl h ASP 678 Cb 0.05 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 39.39 1rrl h ASP 678 CO 0.00 0.00 0.20 0.29 -1.72 0.00 0.00 179.24 178.01 1rrl n LYS 679 N -2.67 2.17 0.26 3.56 5.02 0.19 -4.77 118.16 121.92 1rrl n LYS 679 Ca 0.04 -3.22 0.15 0.00 -2.02 0.00 0.00 58.31 53.26 1rrl n LYS 679 Cb 0.40 -2.01 0.51 0.00 -0.02 0.00 0.00 35.03 33.91 1rrl n LYS 679 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1rrl h LYS 680 N 1.18 0.00 -0.51 1.97 2.10 -1.53 -2.64 116.57 117.14 1rrl h LYS 680 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 1rrl h LYS 680 Cb 1.96 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.29 1rrl h LYS 680 CO 0.77 0.02 0.00 0.09 -2.00 0.00 0.00 179.45 178.32 1rrl n ASN 681 N -3.11 4.59 -4.72 7.07 3.02 -1.26 -4.89 115.26 115.97 1rrl n ASN 681 Ca 0.02 -2.65 -0.42 0.00 -0.03 0.00 0.00 54.58 51.50 1rrl n ASN 681 Cb 0.39 -0.56 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 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 -2.21 4.55 0.53 3.52 0.41 -1.00 -4.93 118.70 119.57 1rrl s GLU 682 Ca 0.47 1.56 0.31 0.00 -0.41 0.00 0.00 54.97 56.90 1rrl s GLU 682 Cb 0.33 -3.39 1.33 0.00 -1.78 0.00 0.00 34.13 30.62 1rrl s GLU 682 CO 0.18 -0.05 1.98 -1.00 -0.49 0.00 0.00 175.26 175.88 1rrl h PRO 683 N 6.40 0.00 0.00 0.39 0.13 -1.94 -3.23 132.00 133.75 1rrl h PRO 683 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1rrl h PRO 683 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1rrl h PRO 683 CO 0.76 0.08 0.00 -2.67 -0.23 0.00 0.00 178.00 175.94 1rrl n TRP 684 N -3.24 0.42 -1.75 1.56 4.27 -1.26 -4.89 117.44 112.55 1rrl n TRP 684 Ca -0.00 0.13 -0.42 0.00 -3.89 0.00 0.00 57.50 53.33 1rrl n TRP 684 Cb 0.31 -0.72 -0.01 0.00 -1.36 0.00 0.00 31.31 29.53 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 -1.85 2.90 -2.02 -2.67 7.02 -1.22 -4.77 117.44 114.82 1rrl n TRP 685 Ca 0.05 0.27 -0.42 0.00 -1.02 0.00 0.00 57.50 56.39 1rrl n TRP 685 Cb 0.33 -2.59 -0.03 0.00 -2.42 0.00 0.00 31.31 26.60 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 -0.71 4.26 0.79 -0.99 0.02 -1.26 -5.00 135.00 132.10 1rrl s PRO 686 Ca 0.63 2.27 -0.11 0.00 0.02 0.00 0.00 61.00 63.80 1rrl s PRO 686 Cb -0.49 -3.16 0.06 0.00 0.02 0.00 0.00 34.50 30.93 1rrl s PRO 686 CO 0.50 -0.50 1.09 0.15 -0.33 0.00 0.00 177.00 177.91 1rrl s LYS 687 N 0.65 2.17 -0.99 5.54 -0.14 -1.26 -4.92 119.74 120.78 1rrl s LYS 687 Ca 0.65 0.74 -0.01 0.00 -1.36 0.00 0.00 55.97 55.99 1rrl s LYS 687 Cb -0.41 -1.92 0.32 0.00 -1.68 0.00 0.00 37.83 34.14 1rrl s LYS 687 CO 0.35 -1.59 1.84 -1.33 -0.76 0.00 0.00 175.35 173.85 1rrl n MET 688 N -3.43 5.03 -0.01 1.68 2.81 -1.26 -4.37 117.12 117.58 1rrl n MET 688 Ca 0.07 -4.52 0.10 0.00 -1.81 0.00 0.00 57.70 51.54 1rrl n MET 688 Cb 0.55 -2.44 -0.15 0.00 -0.71 0.00 0.00 33.22 30.48 1rrl n MET 688 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1rrl n GLN 689 N -0.13 0.58 -4.14 0.03 1.13 -1.26 -4.52 117.38 109.06 1rrl n GLN 689 Ca 0.48 -0.17 -0.15 0.00 -1.94 0.00 0.00 57.00 55.21 1rrl n GLN 689 Cb 0.26 -1.45 -0.14 0.00 0.11 0.00 0.00 30.24 29.02 1rrl n GLN 689 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1rrl s THR 690 N -3.32 0.43 0.44 5.09 2.01 -1.26 -4.78 115.64 114.25 1rrl s THR 690 Ca -0.07 -0.35 0.14 0.00 0.31 0.00 0.00 61.69 61.72 1rrl s THR 690 Cb 0.12 -0.39 0.18 0.00 0.01 0.00 0.00 72.50 72.42 1rrl s THR 690 CO 0.79 0.04 1.97 0.03 -0.69 0.00 0.00 174.62 176.77 1rrl h ARG 691 N 5.80 0.03 -0.39 4.92 3.08 -1.88 -2.54 114.38 123.39 1rrl h ARG 691 Ca -0.29 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.68 1rrl h ARG 691 Cb 1.19 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.22 1rrl h ARG 691 CO 0.49 0.21 -0.05 0.93 -1.07 0.00 0.00 179.97 180.48 1rrl h GLU 692 N 0.03 0.66 0.00 0.04 3.07 -1.99 -2.35 114.58 114.03 1rrl h GLU 692 Ca 0.00 -0.18 -0.05 0.00 -0.50 0.00 0.00 59.36 58.64 1rrl h GLU 692 Cb 0.34 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1rrl h GLU 692 CO 0.02 0.71 -0.22 0.93 -1.40 0.00 0.00 179.01 179.05 1rrl h GLU 693 N 0.61 0.00 0.00 2.33 5.08 -1.78 -0.56 114.58 120.25 1rrl h GLU 693 Ca 0.12 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.26 1rrl h GLU 693 Cb 0.46 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1rrl h GLU 693 CO 0.02 0.22 -1.08 1.25 -1.00 0.00 0.00 179.01 178.43 1rrl h LEU 694 N 0.00 0.00 -0.11 1.33 5.85 -1.33 -2.59 115.31 118.47 1rrl h LEU 694 Ca -0.00 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 1rrl h LEU 694 Cb 0.46 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.49 1rrl h LEU 694 CO 0.03 0.96 -0.45 0.58 -0.34 0.00 0.00 178.44 179.22 1rrl h VAL 695 N 0.00 1.37 -0.37 1.05 2.07 -1.18 0.33 116.25 119.53 1rrl h VAL 695 Ca -0.05 -1.77 -0.06 0.00 0.82 0.00 0.00 66.70 65.64 1rrl h VAL 695 Cb 1.78 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 33.69 1rrl h VAL 695 CO 0.12 0.53 -0.01 -0.08 0.02 0.00 0.00 177.57 178.15 1rrl h GLU 696 N 0.10 0.58 0.00 1.57 4.57 -1.16 0.18 114.58 120.41 1rrl h GLU 696 Ca -0.03 -0.13 -0.20 0.00 -1.18 0.00 0.00 59.36 57.82 1rrl h GLU 696 Cb 1.09 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.57 1rrl h GLU 696 CO 0.09 0.61 -1.25 0.00 -1.18 0.00 0.00 179.01 177.29 1rrl h ALA 697 N 1.44 0.63 -0.01 2.92 0.00 -1.36 -2.68 119.26 120.20 1rrl h ALA 697 Ca 0.12 -0.96 -0.17 0.00 0.00 0.00 0.00 54.91 53.89 1rrl h ALA 697 Cb 0.37 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1rrl h ALA 697 CO 0.01 1.12 -0.77 0.00 0.00 0.00 0.00 179.25 179.62 1rrl h ALA 699 N 1.15 1.04 -0.03 0.00 0.00 -0.97 -2.74 119.26 117.71 1rrl h ALA 699 Ca -0.02 -0.52 -0.24 0.00 0.00 0.00 0.00 54.91 54.13 1rrl h ALA 699 Cb 1.35 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.06 1rrl h ALA 699 CO 0.11 0.71 -0.96 0.82 0.00 0.00 0.00 179.25 179.93 1rrl h ILE 700 N 0.02 1.32 -0.88 0.00 2.04 -1.29 -1.25 117.51 117.46 1rrl h ILE 700 Ca -0.01 -2.26 0.08 0.00 1.00 0.00 0.00 64.86 63.67 1rrl h ILE 700 Cb 1.02 2.32 -0.06 0.00 -0.74 0.00 0.00 36.82 39.36 1rrl h ILE 700 CO 0.08 0.69 0.57 0.40 0.00 0.00 0.00 178.15 179.89 1rrl h ILE 701 N 0.36 1.03 0.17 -0.67 2.04 -1.42 -1.25 117.51 117.77 1rrl h ILE 701 Ca -0.10 -0.33 -0.35 0.00 1.00 0.00 0.00 64.86 65.09 1rrl h ILE 701 Cb 1.60 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1rrl h ILE 701 CO 0.18 0.17 -1.76 0.40 0.00 0.00 0.00 178.15 177.15 1rrl h ILE 702 N 0.95 0.92 -0.34 -0.67 2.04 -1.41 -2.45 117.51 116.55 1rrl h ILE 702 Ca 0.39 -2.53 0.05 0.00 1.00 0.00 0.00 64.86 63.78 1rrl h ILE 702 Cb 0.28 2.73 -0.05 0.00 -0.74 0.00 0.00 36.82 39.04 1rrl h ILE 702 CO -0.15 0.86 0.04 -0.25 0.00 0.00 0.00 178.15 178.64 1rrl h TRP 703 N 0.10 0.05 -0.21 1.37 2.91 -1.06 -0.75 115.95 118.36 1rrl h TRP 703 Ca -0.34 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 59.70 1rrl h TRP 703 Cb 2.09 0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 30.75 1rrl h TRP 703 CO 0.09 -0.02 0.13 1.15 -1.03 0.00 0.00 178.44 178.76 1rrl h THR 704 N 0.14 1.08 0.00 2.65 2.02 -1.27 -1.14 112.91 116.39 1rrl h THR 704 Ca 0.16 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1rrl h THR 704 Cb 0.20 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1rrl h THR 704 CO -0.24 0.08 -0.10 0.00 0.37 0.00 0.00 175.52 175.63 1rrl h ALA 705 N 1.04 0.95 -0.51 6.16 0.00 -1.24 -2.06 119.26 123.60 1rrl h ALA 705 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rrl h ALA 705 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1rrl h ALA 705 CO -0.01 0.12 0.00 -1.13 0.00 0.00 0.00 179.25 178.22 1rrl n SER 706 N -3.13 0.00 0.11 0.00 3.41 -0.31 -2.53 113.62 111.18 1rrl n SER 706 Ca 0.03 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.43 1rrl n SER 706 Cb 0.54 -0.25 -0.14 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.21 -0.01 0.08 7.33 0.00 -1.64 -2.11 119.26 121.71 1rrl h ALA 707 Ca 0.00 -0.82 -0.00 0.00 0.00 0.00 0.00 54.91 54.08 1rrl h ALA 707 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1rrl h ALA 707 CO 0.00 0.76 -0.04 1.25 0.00 0.00 0.00 179.25 181.22 1rrl h LEU 708 N 0.18 -0.09 -0.92 0.00 5.85 -1.37 -0.70 115.31 118.26 1rrl h LEU 708 Ca -0.19 -0.49 0.13 0.00 0.84 0.00 0.00 57.88 58.17 1rrl h LEU 708 Cb 2.00 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 42.96 1rrl h LEU 708 CO 0.24 0.50 0.53 -0.74 -0.34 0.00 0.00 178.44 178.63 1rrl h HIS 709 N -0.75 0.95 -0.40 1.25 2.76 -1.49 0.14 115.15 117.62 1rrl h HIS 709 Ca -0.01 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.04 1rrl h HIS 709 Cb 0.58 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 1rrl h HIS 709 CO 0.12 0.31 -0.34 0.00 -1.30 0.00 0.00 177.93 176.72 1rrl h ALA 710 N 1.55 0.64 -0.33 5.26 0.00 -1.28 0.24 119.26 125.33 1rrl h ALA 710 Ca 0.48 -0.44 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1rrl h ALA 710 Cb 0.58 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1rrl h ALA 710 CO -0.31 0.67 -0.44 0.00 0.00 0.00 0.00 179.25 179.18 1rrl h ALA 711 N 0.84 0.59 0.00 0.00 0.00 -0.70 -2.39 119.26 117.60 1rrl h ALA 711 Ca 0.07 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1rrl h ALA 711 Cb 0.92 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1rrl h ALA 711 CO 0.09 0.68 -0.28 -0.24 0.00 0.00 0.00 179.25 179.49 1rrl h VAL 712 N 0.68 0.46 0.00 0.00 3.04 -0.66 -3.42 116.25 116.36 1rrl h VAL 712 Ca 0.04 -1.66 -0.35 0.00 -1.01 0.00 0.00 66.70 63.73 1rrl h VAL 712 Cb 1.02 2.23 -0.06 0.00 -2.01 0.00 0.00 31.29 32.47 1rrl h VAL 712 CO 0.10 0.26 -2.22 -3.20 -1.01 0.00 0.00 177.57 171.50 1rrl n ASN 713 N -3.16 1.96 -0.09 3.17 5.15 0.83 -4.64 115.26 118.47 1rrl n ASN 713 Ca 0.03 0.09 0.11 0.00 -0.60 0.00 0.00 54.58 54.21 1rrl n ASN 713 Cb 0.64 -0.50 0.59 0.00 -0.53 0.00 0.00 39.78 39.98 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 -3.58 0.03 0.00 1.20 3.72 -0.93 -2.51 117.46 115.40 1rrl n PHE 714 Ca -0.41 -0.01 0.09 0.00 -0.05 0.00 0.00 57.45 57.07 1rrl n PHE 714 Cb 0.85 0.00 0.19 0.00 -0.94 0.00 0.00 39.48 39.58 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 0.88 1.99 0.30 1.37 0.00 -1.26 -4.60 105.19 103.86 1rrl n GLY 715 Ca 0.16 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 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 3.22 -0.71 -0.31 1.61 4.20 -1.77 -2.20 115.11 119.15 1rrl h GLN 716 Ca 0.00 0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 1rrl h GLN 716 Cb 0.82 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 1rrl h GLN 716 CO 0.00 -0.48 -0.02 -0.92 -0.67 0.00 0.00 178.83 176.75 1rrl h TYR 717 N -0.80 0.61 -0.95 2.96 3.20 -1.83 0.50 116.97 120.66 1rrl h TYR 717 Ca -0.08 -0.11 0.19 0.00 3.14 0.00 0.00 58.73 61.87 1rrl h TYR 717 Cb 0.57 -0.16 -0.08 0.00 1.54 0.00 0.00 36.73 38.60 1rrl h TYR 717 CO 0.08 0.70 0.61 -1.35 -1.64 0.00 0.00 178.16 176.56 1rrl h PRO 718 N 0.34 0.57 0.00 1.82 0.11 -1.82 0.80 132.00 133.82 1rrl h PRO 718 Ca 0.08 -0.03 -0.37 0.00 0.11 0.00 0.00 66.00 65.80 1rrl h PRO 718 Cb 0.47 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 31.38 1rrl h PRO 718 CO 0.02 0.38 -2.34 0.66 -0.21 0.00 0.00 178.00 176.51 1rrl n TYR 719 N -4.61 0.10 0.68 0.65 4.01 -0.83 -1.70 117.16 115.46 1rrl n TYR 719 Ca 0.21 0.03 0.09 0.00 -0.16 0.00 0.00 57.90 58.08 1rrl n TYR 719 Cb 0.62 -1.02 -0.12 0.00 -0.31 0.00 0.00 39.34 38.52 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 1.78 -0.86 0.10 2.72 0.00 0.18 -4.15 105.19 104.96 1rrl n GLY 720 Ca -0.33 -0.53 0.08 0.00 0.00 0.00 0.00 46.02 45.24 1rrl n GLY 720 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rrl n GLY 721 N 1.43 -0.90 3.39 -0.02 0.00 0.28 -3.39 105.19 105.98 1rrl n GLY 721 Ca 0.02 0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1rrl n GLY 721 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rrl s LEU 722 N -3.99 5.27 0.53 0.99 0.20 -1.26 -4.90 118.68 115.52 1rrl s LEU 722 Ca 0.01 -1.18 0.31 0.00 0.69 0.00 0.00 54.13 53.96 1rrl s LEU 722 Cb 0.06 -2.12 1.35 0.00 -0.43 0.00 0.00 46.19 45.05 1rrl s LEU 722 CO 0.21 -0.54 1.99 -0.29 -0.29 0.00 0.00 176.35 177.43 1rrl h ILE 723 N 5.79 0.22 -0.52 6.68 6.09 -1.87 -1.90 117.51 132.00 1rrl h ILE 723 Ca -0.27 -0.63 -0.12 0.00 -1.37 0.00 0.00 64.86 62.47 1rrl h ILE 723 Cb 1.11 1.51 -0.02 0.00 0.47 0.00 0.00 36.82 39.90 1rrl h ILE 723 CO 0.79 0.07 -0.13 -0.07 -3.07 0.00 0.00 178.15 175.74 1rrl h LEU 724 N 0.00 1.02 -0.10 2.19 4.07 -1.93 -1.67 115.31 118.89 1rrl h LEU 724 Ca -0.00 -0.36 -0.05 0.00 0.08 0.00 0.00 57.88 57.55 1rrl h LEU 724 Cb 0.51 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 41.97 1rrl h LEU 724 CO 0.01 1.14 -0.12 -1.13 -1.08 0.00 0.00 178.44 177.26 1rrl h ASN 725 N 0.88 0.27 -2.18 -0.43 -1.24 -1.64 -3.39 115.58 107.85 1rrl h ASN 725 Ca 0.13 -0.51 -0.59 0.00 0.71 0.00 0.00 56.30 56.04 1rrl h ASN 725 Cb 0.70 -0.08 -0.42 0.00 0.73 0.00 0.00 38.32 39.26 1rrl h ASN 725 CO 0.05 0.73 -0.67 0.54 -1.29 0.00 0.00 177.43 176.78 1rrl n ARG 726 N -4.63 2.23 -1.24 6.67 5.12 -1.05 -5.00 116.66 118.75 1rrl n ARG 726 Ca -0.07 -4.44 -0.35 0.00 -1.93 0.00 0.00 57.85 51.06 1rrl n ARG 726 Cb 0.35 -2.09 0.09 0.00 -1.16 0.00 0.00 32.46 29.65 1rrl n ARG 726 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1rrl n PRO 727 N 0.96 0.34 -0.00 5.56 -0.04 -0.63 -4.82 135.00 136.37 1rrl n PRO 727 Ca 0.28 0.17 0.05 0.00 -0.04 0.00 0.00 63.50 63.97 1rrl n PRO 727 Cb 0.43 -2.14 -0.08 0.00 -0.04 0.00 0.00 33.50 31.67 1rrl n PRO 727 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1rrl n THR 728 N -2.70 0.00 -3.76 0.52 -2.24 -1.26 -4.29 114.28 100.54 1rrl n THR 728 Ca 0.12 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.52 1rrl n THR 728 Cb 0.50 0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 69.04 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 -3.49 0.78 -0.14 3.22 0.05 -1.26 -1.81 118.68 116.03 1rrl s LEU 729 Ca -0.02 0.54 -0.06 0.00 0.05 0.00 0.00 54.13 54.64 1rrl s LEU 729 Cb 0.07 1.14 -0.04 0.00 -2.05 0.00 0.00 46.19 45.31 1rrl s LEU 729 CO 0.44 -0.18 0.08 -0.94 -0.55 0.00 0.00 176.35 175.21 1rrl s SER 730 N -0.11 5.88 -0.05 1.48 1.04 -1.26 -1.94 113.70 118.73 1rrl s SER 730 Ca -0.03 0.24 0.08 0.00 0.48 0.00 0.00 55.95 56.72 1rrl s SER 730 Cb -0.03 -1.91 0.12 0.00 0.10 0.00 0.00 66.02 64.29 1rrl s SER 730 CO 0.01 0.29 1.00 -2.11 0.98 0.00 0.00 173.24 173.41 1rrl n ARG 731 N 2.73 1.02 -3.67 4.02 1.85 0.23 -1.13 116.66 121.71 1rrl n ARG 731 Ca -0.18 -1.66 -0.10 0.00 -1.00 0.00 0.00 57.85 54.91 1rrl n ARG 731 Cb 0.53 -0.99 -0.09 0.00 -1.05 0.00 0.00 32.46 30.87 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 -1.33 0.59 0.86 2.89 3.52 -1.26 -4.45 118.95 119.78 1rrl s ARG 732 Ca 0.13 0.94 -0.12 0.00 -0.13 0.00 0.00 55.73 56.55 1rrl s ARG 732 Cb 0.11 0.15 0.11 0.00 -1.56 0.00 0.00 34.95 33.76 1rrl s ARG 732 CO 0.01 -0.13 1.10 -0.06 -0.81 0.00 0.00 175.30 175.42 1rrl s PHE 733 N 1.10 2.58 0.30 5.12 0.08 -1.26 -4.89 117.98 121.00 1rrl s PHE 733 Ca -0.06 1.10 -0.30 0.00 0.12 0.00 0.00 56.93 57.79 1rrl s PHE 733 Cb -0.06 -3.20 -0.11 0.00 -0.57 0.00 0.00 43.02 39.08 1rrl s PHE 733 CO -0.11 -2.14 1.56 1.41 -0.10 0.00 0.00 175.22 175.84 1rrl s MET 734 N -5.11 4.14 0.17 0.44 1.75 -1.26 -4.94 119.30 114.49 1rrl s MET 734 Ca 0.62 2.53 -0.33 0.00 -1.25 0.00 0.00 55.69 57.27 1rrl s MET 734 Cb -0.16 -3.03 -0.12 0.00 2.84 0.00 0.00 34.83 34.36 1rrl s MET 734 CO 0.55 -0.58 1.70 -2.30 -0.65 0.00 0.00 175.02 173.74 1rrl n PRO 735 N 1.99 2.59 -3.43 4.11 -0.02 -1.26 -5.02 135.00 133.96 1rrl n PRO 735 Ca 0.07 0.93 -0.35 0.00 -2.02 0.00 0.00 63.50 62.14 1rrl n PRO 735 Cb 0.38 -2.77 -0.06 0.00 -0.02 0.00 0.00 33.50 31.04 1rrl n PRO 735 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1rrl s GLU 736 N 1.41 3.90 0.41 -0.52 0.41 -1.26 -4.88 118.70 118.16 1rrl s GLU 736 Ca 0.78 0.37 0.25 0.00 -0.41 0.00 0.00 54.97 55.96 1rrl s GLU 736 Cb -0.56 -2.94 1.31 0.00 -1.78 0.00 0.00 34.13 30.16 1rrl s GLU 736 CO 0.35 0.50 1.65 0.87 -0.49 0.00 0.00 175.26 178.14 1rrl h LYS 737 N 3.57 0.16 0.07 1.61 1.57 -1.98 -2.40 116.57 119.17 1rrl h LYS 737 Ca -0.49 -0.01 -0.31 0.00 -1.87 0.00 0.00 60.65 57.98 1rrl h LYS 737 Cb 1.19 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 1rrl h LYS 737 CO 0.66 0.11 -1.66 0.78 -0.57 0.00 0.00 179.45 178.77 1rrl h GLY 738 N 0.17 0.17 -1.52 3.86 0.00 -2.00 -3.48 103.07 100.27 1rrl h GLY 738 Ca 0.77 -0.43 -0.47 0.00 0.00 0.00 0.00 47.33 47.20 1rrl h GLY 738 CO -0.47 0.38 -0.86 -1.14 0.00 0.00 0.00 176.54 174.45 1rrl n SER 739 N -3.31 -2.21 0.09 0.19 3.41 -0.90 -4.88 113.62 106.01 1rrl n SER 739 Ca -0.19 -0.04 -0.12 0.00 -0.26 0.00 0.00 58.87 58.27 1rrl n SER 739 Cb 1.04 -1.04 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1rrl n SER 739 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rrl h ALA 740 N -2.05 0.30 -0.75 7.33 0.00 -1.95 -3.01 119.26 119.14 1rrl h ALA 740 Ca -0.53 -0.82 0.11 0.00 0.00 0.00 0.00 54.91 53.67 1rrl h ALA 740 Cb 1.34 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 1rrl h ALA 740 CO 0.39 0.99 0.49 0.93 0.00 0.00 0.00 179.25 182.05 1rrl h GLU 741 N 0.08 0.57 -0.19 0.00 3.07 -1.93 -1.21 114.58 114.98 1rrl h GLU 741 Ca -0.08 -0.03 -0.19 0.00 -0.50 0.00 0.00 59.36 58.56 1rrl h GLU 741 Cb 1.75 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.53 1rrl h GLU 741 CO 0.16 0.38 -0.65 -0.92 -1.40 0.00 0.00 179.01 176.58 1rrl h TYR 742 N 0.59 0.93 -0.17 4.33 5.03 -1.73 0.26 116.97 126.21 1rrl h TYR 742 Ca 0.35 -0.37 -0.08 0.00 2.58 0.00 0.00 58.73 61.21 1rrl h TYR 742 Cb 0.57 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.68 1rrl h TYR 742 CO -0.00 1.17 -0.27 1.49 -1.32 0.00 0.00 178.16 179.23 1rrl h GLU 743 N 0.52 0.32 -0.21 1.82 4.81 -1.27 -1.53 114.58 119.04 1rrl h GLU 743 Ca -0.02 -0.11 -0.15 0.00 -0.13 0.00 0.00 59.36 58.95 1rrl h GLU 743 Cb 1.25 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1rrl h GLU 743 CO 0.13 0.57 -0.47 1.49 -0.73 0.00 0.00 179.01 180.00 1rrl h GLU 744 N 0.29 0.55 -0.70 1.92 4.81 -1.00 0.22 114.58 120.67 1rrl h GLU 744 Ca 0.04 -0.31 0.05 0.00 -0.13 0.00 0.00 59.36 59.01 1rrl h GLU 744 Cb 0.63 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.97 1rrl h GLU 744 CO 0.05 0.91 0.41 1.25 -0.73 0.00 0.00 179.01 180.90 1rrl h LEU 745 N 0.44 0.63 0.48 1.64 5.85 -0.69 1.00 115.31 124.66 1rrl h LEU 745 Ca 0.02 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1rrl h LEU 745 Cb 0.99 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1rrl h LEU 745 CO 0.09 0.41 -0.23 0.03 -0.34 0.00 0.00 178.44 178.40 1rrl h ARG 746 N 0.76 -0.63 -0.68 1.25 3.08 -1.02 -3.22 114.38 113.93 1rrl h ARG 746 Ca 0.31 0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.43 1rrl h ARG 746 Cb 0.15 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 1rrl h ARG 746 CO -0.16 -0.42 0.42 0.87 -1.07 0.00 0.00 179.97 179.60 1rrl h LYS 747 N -0.66 0.79 -1.53 0.04 1.57 -0.05 -3.39 116.57 113.34 1rrl h LYS 747 Ca -0.07 -0.05 -0.24 0.00 -1.87 0.00 0.00 60.65 58.42 1rrl h LYS 747 Cb 0.50 -0.18 -0.26 0.00 0.08 0.00 0.00 32.23 32.38 1rrl h LYS 747 CO 0.11 0.52 -0.59 1.21 -0.57 0.00 0.00 179.45 180.13 1rrl s ASN 748 N -5.71 -0.06 0.30 0.86 3.84 0.34 -5.01 114.94 109.49 1rrl s ASN 748 Ca -0.13 -1.35 0.26 0.00 0.21 0.00 0.00 52.86 51.85 1rrl s ASN 748 Cb 0.15 1.17 0.75 0.00 -0.55 0.00 0.00 41.25 42.77 1rrl s ASN 748 CO 0.76 -0.20 1.74 1.55 -2.79 0.00 0.00 177.10 178.16 1rrl h PRO 749 N 6.83 0.00 -0.11 0.43 0.14 -1.61 -2.80 132.00 134.88 1rrl h PRO 749 Ca 0.06 0.00 -0.13 0.00 0.14 0.00 0.00 66.00 66.07 1rrl h PRO 749 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.25 1rrl h PRO 749 CO 0.15 0.00 -0.44 1.96 0.14 0.00 0.00 178.00 179.81 1rrl h GLN 750 N 0.00 0.50 -0.89 0.86 4.20 -1.90 0.18 115.11 118.05 1rrl h GLN 750 Ca 0.00 -0.38 0.04 0.00 0.06 0.00 0.00 58.65 58.37 1rrl h GLN 750 Cb 0.74 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.54 1rrl h GLN 750 CO 0.00 1.01 0.57 -0.22 -0.67 0.00 0.00 178.83 179.53 1rrl h LYS 751 N 0.10 1.07 -0.65 1.46 1.63 -1.71 -1.00 116.57 117.46 1rrl h LYS 751 Ca -0.02 -0.06 -0.09 0.00 -0.85 0.00 0.00 60.65 59.62 1rrl h LYS 751 Cb 1.07 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 32.44 1rrl h LYS 751 CO 0.09 0.70 0.06 0.00 -3.45 0.00 0.00 179.45 176.86 1rrl h ALA 752 N 1.38 0.87 -0.17 5.00 0.00 -1.21 -1.77 119.26 123.36 1rrl h ALA 752 Ca 0.37 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1rrl h ALA 752 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1rrl h ALA 752 CO -0.13 0.68 0.04 -0.92 0.00 0.00 0.00 179.25 178.91 1rrl h TYR 753 N 1.02 0.07 -0.12 0.00 3.20 -0.41 -2.77 116.97 117.96 1rrl h TYR 753 Ca 0.19 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.98 1rrl h TYR 753 Cb 0.50 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1rrl h TYR 753 CO 0.04 0.03 -0.33 -0.07 -1.64 0.00 0.00 178.16 176.19 1rrl h LEU 754 N 0.11 0.23 -0.32 2.82 3.38 -0.88 -2.40 115.31 118.26 1rrl h LEU 754 Ca 0.08 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rrl h LEU 754 Cb 0.07 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1rrl h LEU 754 CO -0.10 0.55 0.00 0.11 0.09 0.00 0.00 178.44 179.09 1rrl h LYS 755 N 0.20 0.00 0.07 1.13 1.57 -1.25 -2.93 116.57 115.37 1rrl h LYS 755 Ca 0.03 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.56 1rrl h LYS 755 Cb 0.68 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 1rrl h LYS 755 CO 0.05 0.00 -1.09 1.15 -0.57 0.00 0.00 179.45 178.99 1rrl h THR 756 N 0.00 1.52 -3.47 -0.16 2.02 -1.16 -3.41 112.91 108.26 1rrl h THR 756 Ca 0.00 -2.95 0.00 0.00 0.77 0.00 0.00 66.41 64.23 1rrl h THR 756 Cb 0.81 2.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.98 1rrl h THR 756 CO 0.00 0.86 0.00 2.30 0.37 0.00 0.00 175.52 179.05 1rrl n ILE 757 N -3.56 0.00 -1.61 3.11 -5.35 -0.98 -0.60 119.36 110.36 1rrl n ILE 757 Ca -0.06 0.00 -0.48 0.00 -0.27 0.00 0.00 62.75 61.94 1rrl n ILE 757 Cb 0.94 -1.23 -0.04 0.00 -1.74 0.00 0.00 39.64 37.57 1rrl n ILE 757 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1rrl n THR 758 N -1.15 0.69 -1.03 7.28 -1.04 -0.82 -4.62 114.28 113.59 1rrl n THR 758 Ca 0.00 -0.17 -0.31 0.00 -2.04 0.00 0.00 64.05 61.53 1rrl n THR 758 Cb 0.00 -1.07 0.12 0.00 -1.82 0.00 0.00 70.33 67.56 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 -0.14 1.70 0.25 -2.82 0.02 -1.26 -4.82 135.00 127.94 1rrl s PRO 759 Ca 0.74 1.29 -0.03 0.00 0.02 0.00 0.00 61.00 63.02 1rrl s PRO 759 Cb -0.80 -1.82 0.41 0.00 0.02 0.00 0.00 34.50 32.31 1rrl s PRO 759 CO 0.49 -2.07 1.83 -0.22 -0.33 0.00 0.00 177.00 176.70 1rrl h LYS 760 N -1.45 0.86 0.75 5.54 3.64 -1.93 -2.05 116.57 121.93 1rrl h LYS 760 Ca -0.44 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 58.85 1rrl h LYS 760 Cb 1.25 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1rrl h LYS 760 CO 0.48 0.57 -0.36 0.35 -2.27 0.00 0.00 179.45 178.22 1rrl h PHE 761 N 0.89 -0.93 0.00 1.91 3.57 -1.93 -2.34 116.94 118.11 1rrl h PHE 761 Ca 0.41 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.87 1rrl h PHE 761 Cb 0.33 0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 1rrl h PHE 761 CO -0.04 -0.56 -0.10 1.96 -2.23 0.00 0.00 178.31 177.34 1rrl h GLN 762 N -1.09 0.00 -0.78 1.11 7.50 -1.92 -1.81 115.11 118.13 1rrl h GLN 762 Ca -0.10 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.01 1rrl h GLN 762 Cb 0.79 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.28 1rrl h GLN 762 CO 0.17 0.10 0.33 1.15 -1.50 0.00 0.00 178.83 179.08 1rrl h THR 763 N 0.00 1.25 -0.70 -0.54 2.02 -1.16 0.17 112.91 113.95 1rrl h THR 763 Ca -0.00 -0.76 -0.08 0.00 0.77 0.00 0.00 66.41 66.34 1rrl h THR 763 Cb 0.23 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 1rrl h THR 763 CO 0.01 0.32 0.14 -0.07 0.37 0.00 0.00 175.52 176.29 1rrl h LEU 764 N 1.12 1.09 -0.46 2.58 3.38 -0.78 0.31 115.31 122.55 1rrl h LEU 764 Ca 0.26 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1rrl h LEU 764 Cb 0.17 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1rrl h LEU 764 CO -0.03 1.06 -0.05 0.40 0.09 0.00 0.00 178.44 179.90 1rrl h ILE 765 N 1.07 1.27 -0.22 1.22 1.08 -1.32 -0.77 117.51 119.84 1rrl h ILE 765 Ca 0.22 -1.14 -0.03 0.00 -0.39 0.00 0.00 64.86 63.51 1rrl h ILE 765 Cb 0.41 1.08 -0.01 0.00 -3.07 0.00 0.00 36.82 35.24 1rrl h ILE 765 CO 0.01 0.39 0.00 -0.78 -0.69 0.00 0.00 178.15 177.08 1rrl h ASP 766 N 0.69 0.38 -0.70 1.72 3.58 -0.27 -1.14 116.42 120.68 1rrl h ASP 766 Ca 0.12 -0.31 -0.03 0.00 0.42 0.00 0.00 57.03 57.24 1rrl h ASP 766 Cb 0.58 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.49 1rrl h ASP 766 CO 0.03 0.59 0.35 -0.07 -2.88 0.00 0.00 179.24 177.26 1rrl h LEU 767 N 0.15 0.93 -0.29 2.28 4.07 -0.37 -1.37 115.31 120.71 1rrl h LEU 767 Ca 0.06 -0.10 -0.06 0.00 0.08 0.00 0.00 57.88 57.86 1rrl h LEU 767 Cb 0.40 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 1rrl h LEU 767 CO 0.01 0.78 -0.05 0.28 -1.08 0.00 0.00 178.44 178.38 1rrl h SER 768 N 1.02 0.54 0.88 -0.43 0.02 -0.98 -1.27 113.55 113.33 1rrl h SER 768 Ca 0.25 -0.35 -0.04 0.00 -0.84 0.00 0.00 61.79 60.81 1rrl h SER 768 Cb 0.10 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.50 1rrl h SER 768 CO -0.03 0.76 -0.43 0.58 -1.14 0.00 0.00 176.83 176.57 1rrl h VAL 769 N 0.31 0.00 0.00 2.27 2.07 -1.09 -3.15 116.25 116.66 1rrl h VAL 769 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1rrl h VAL 769 Cb 0.52 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1rrl h VAL 769 CO 0.02 0.00 0.00 0.16 0.02 0.00 0.00 177.57 177.77 1rrl h ILE 770 N -1.19 0.00 -0.43 4.57 3.07 -1.26 -1.64 117.51 120.63 1rrl h ILE 770 Ca -0.12 -0.27 -0.12 0.00 1.55 0.00 0.00 64.86 65.91 1rrl h ILE 770 Cb 0.92 1.26 -0.01 0.00 -0.27 0.00 0.00 36.82 38.72 1rrl h ILE 770 CO 0.19 0.00 -0.18 -0.08 -1.05 0.00 0.00 178.15 177.03 1rrl h GLU 771 N 0.00 0.88 -0.47 0.16 4.81 -1.19 -2.17 114.58 116.61 1rrl h GLU 771 Ca 0.00 -0.37 -0.12 0.00 -0.13 0.00 0.00 59.36 58.74 1rrl h GLU 771 Cb 0.27 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1rrl h GLU 771 CO 0.00 1.02 -0.17 0.82 -0.73 0.00 0.00 179.01 179.96 1rrl h ILE 772 N 0.71 1.27 0.00 2.32 2.04 -1.30 -3.14 117.51 119.41 1rrl h ILE 772 Ca 0.10 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.64 1rrl h ILE 772 Cb 0.74 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1rrl h ILE 772 CO 0.06 0.45 0.00 0.18 0.00 0.00 0.00 178.15 178.84 1rrl n LEU 773 N -4.18 0.65 -0.61 1.44 4.32 -0.75 -1.23 117.00 116.65 1rrl n LEU 773 Ca -0.00 0.68 0.08 0.00 -0.02 0.00 0.00 56.01 56.75 1rrl n LEU 773 Cb 0.43 -0.62 0.07 0.00 -1.62 0.00 0.00 43.42 41.67 1rrl n LEU 773 CO 0.45 -0.64 0.49 -1.20 -1.22 0.00 0.00 177.39 175.28 1rrl n SER 774 N -2.24 2.28 -4.77 -1.43 7.64 -0.86 -4.73 113.62 109.51 1rrl n SER 774 Ca 0.01 -1.64 -0.38 0.00 1.01 0.00 0.00 58.87 57.88 1rrl n SER 774 Cb 0.19 -0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.33 1rrl n SER 774 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1rrl s ARG 775 N -1.25 4.21 -0.28 1.43 1.81 -0.36 -4.40 118.95 120.12 1rrl s ARG 775 Ca 0.18 0.53 -0.27 0.00 -1.72 0.00 0.00 55.73 54.45 1rrl s ARG 775 Cb 0.13 -3.34 0.01 0.00 -0.45 0.00 0.00 34.95 31.29 1rrl s ARG 775 CO 0.19 0.39 0.98 -1.01 -0.68 0.00 0.00 175.30 175.16 1rrl s HIS 776 N -0.16 3.24 0.33 -0.53 3.76 0.56 -4.86 115.29 117.62 1rrl s HIS 776 Ca 0.27 1.20 -0.29 0.00 -0.15 0.00 0.00 55.06 56.09 1rrl s HIS 776 Cb -0.17 -3.38 -0.11 0.00 1.11 0.00 0.00 32.58 30.03 1rrl s HIS 776 CO 0.13 -0.58 1.54 0.00 -0.85 0.00 0.00 174.74 174.97 1rrl n ALA 777 N 6.45 2.39 -0.33 -1.40 0.00 -1.26 -0.55 120.51 125.80 1rrl n ALA 777 Ca 0.10 0.36 0.23 0.00 0.00 0.00 0.00 53.44 54.13 1rrl n ALA 777 Cb 0.47 -2.43 0.50 0.00 0.00 0.00 0.00 19.45 17.99 1rrl n ALA 777 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1rrl h SER 778 N 3.93 0.46 -0.73 0.00 0.02 -1.94 -2.48 113.55 112.81 1rrl h SER 778 Ca -0.48 0.10 -0.20 0.00 -0.84 0.00 0.00 61.79 60.36 1rrl h SER 778 Cb 1.24 0.03 -0.12 0.00 0.14 0.00 0.00 62.40 63.68 1rrl h SER 778 CO 0.72 0.06 0.25 -0.90 -1.14 0.00 0.00 176.83 175.83 1rrl n ASP 779 N -4.67 4.94 -4.76 3.07 5.75 -1.26 -4.85 116.55 114.76 1rrl n ASP 779 Ca 0.27 -3.18 -0.38 0.00 -0.01 0.00 0.00 54.79 51.49 1rrl n ASP 779 Cb 0.90 -0.74 0.01 0.00 -1.03 0.00 0.00 41.12 40.26 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 -2.94 3.48 -0.28 0.11 2.56 -0.93 -5.02 118.70 115.67 1rrl s GLU 780 Ca 0.55 1.99 -0.01 0.00 0.00 0.00 0.00 54.97 57.50 1rrl s GLU 780 Cb 0.44 -2.34 0.04 0.00 2.00 0.00 0.00 34.13 34.27 1rrl s GLU 780 CO 0.14 -0.84 -0.03 0.08 -0.56 0.00 0.00 175.26 174.04 1rrl s VAL 781 N -1.43 2.83 0.44 3.70 1.01 -1.26 -5.11 120.40 120.57 1rrl s VAL 781 Ca 0.67 -1.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 1rrl s VAL 781 Cb -0.34 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1rrl s VAL 781 CO 0.41 -0.01 0.75 -0.31 0.00 0.00 0.00 175.10 175.94 1rrl s TYR 782 N 1.25 3.53 -0.30 5.22 1.51 -1.26 -2.58 117.35 124.71 1rrl s TYR 782 Ca -0.04 0.82 -0.27 0.00 -1.01 0.00 0.00 57.07 56.57 1rrl s TYR 782 Cb -0.19 -2.29 -0.12 0.00 -0.11 0.00 0.00 41.96 39.25 1rrl s TYR 782 CO -0.03 -0.19 1.24 -0.11 -1.11 0.00 0.00 175.55 175.36 1rrl n LEU 783 N -1.93 0.50 0.00 -1.29 7.94 -0.19 -3.61 117.00 118.42 1rrl n LEU 783 Ca 0.00 0.47 0.00 0.00 -1.11 0.00 0.00 56.01 55.37 1rrl n LEU 783 Cb 0.55 -0.54 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1rrl n LEU 783 CO 0.51 -0.47 0.00 0.61 -1.11 0.00 0.00 177.39 176.93 1rrl n GLY 784 N 4.19 2.37 0.03 -3.96 0.00 -1.26 -4.36 105.19 102.20 1rrl n GLY 784 Ca 0.31 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.45 1rrl n GLY 784 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1rrl n GLU 785 N -1.84 0.16 -4.27 1.61 2.13 -1.24 -3.72 120.64 113.46 1rrl n GLU 785 Ca 0.00 0.04 -0.17 0.00 0.66 0.00 0.00 57.16 57.69 1rrl n GLU 785 Cb 0.00 -1.59 -0.14 0.00 0.27 0.00 0.00 31.44 29.97 1rrl n GLU 785 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1rrl s ARG 786 N -3.09 0.59 0.00 5.31 0.52 -1.24 -5.00 118.95 116.05 1rrl s ARG 786 Ca 0.08 -0.28 0.00 0.00 -0.52 0.00 0.00 55.73 55.01 1rrl s ARG 786 Cb 0.15 -0.57 0.00 0.00 0.52 0.00 0.00 34.95 35.06 1rrl s ARG 786 CO 0.71 0.15 0.00 -3.47 0.02 0.00 0.00 175.30 172.72 1rrl n ASP 787 N 2.84 0.00 0.00 0.23 2.03 -1.26 -4.84 116.55 115.54 1rrl n ASP 787 Ca -0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 1rrl n ASP 787 Cb 0.57 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 1rrl n ASP 787 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1rrl n ASN 788 N 0.00 0.00 0.00 1.67 6.94 -1.26 -5.03 115.26 117.58 1rrl n ASN 788 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1rrl n ASN 788 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1rrl n ASN 788 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1rrl n PRO 789 N -0.65 0.00 -1.75 -0.53 -0.05 -1.26 -4.98 135.00 125.78 1rrl n PRO 789 Ca 0.00 0.00 -0.34 0.00 -0.05 0.00 0.00 63.50 63.11 1rrl n PRO 789 Cb 0.00 0.00 0.05 0.00 -0.05 0.00 0.00 33.50 33.50 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 6.84 -0.34 3.54 4.13 -1.26 -4.96 115.26 123.21 1rrl n ASN 790 Ca 0.00 -3.79 0.07 0.00 1.68 0.00 0.00 54.58 52.54 1rrl n ASN 790 Cb 0.00 -0.83 0.16 0.00 -1.54 0.00 0.00 39.78 37.56 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 2.38 -0.42 -3.97 3.10 5.08 -1.94 -3.40 115.95 116.78 1rrl h TRP 791 Ca 0.52 0.08 -0.35 0.00 1.08 0.00 0.00 58.89 60.23 1rrl h TRP 791 Cb 0.73 0.33 -0.26 0.00 -3.00 0.00 0.00 29.16 26.96 1rrl h TRP 791 CO 1.19 -0.41 -0.76 -0.08 -1.28 0.00 0.00 178.44 177.10 1rrl s THR 792 N -6.21 0.63 -2.07 0.12 -1.32 -1.26 -4.82 115.64 100.71 1rrl s THR 792 Ca -0.15 -0.62 0.28 0.00 -1.21 0.00 0.00 61.69 60.00 1rrl s THR 792 Cb 0.26 -0.59 0.48 0.00 -1.51 0.00 0.00 72.50 71.14 1rrl s THR 792 CO 0.77 -0.02 1.75 -1.54 -2.21 0.00 0.00 174.62 173.38 1rrl n SER 793 N 2.35 1.04 -4.59 8.08 3.41 -1.04 -4.71 113.62 118.16 1rrl n SER 793 Ca -0.16 -1.10 -0.43 0.00 -0.26 0.00 0.00 58.87 56.92 1rrl n SER 793 Cb 0.56 0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.52 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 -2.24 6.15 0.33 4.04 -1.08 -1.26 -4.88 116.67 117.73 1rrl s ASP 794 Ca 0.33 0.80 0.26 0.00 -0.52 0.00 0.00 52.55 53.42 1rrl s ASP 794 Cb 0.20 -2.54 0.95 0.00 -1.46 0.00 0.00 42.92 40.07 1rrl s ASP 794 CO 0.42 -1.59 1.78 0.71 0.52 0.00 0.00 175.17 177.01 1rrl h THR 795 N 6.54 0.00 -0.34 1.71 1.35 -2.00 -3.08 112.91 117.09 1rrl h THR 795 Ca -0.29 -0.44 -0.11 0.00 -0.55 0.00 0.00 66.41 65.03 1rrl h THR 795 Cb 1.12 1.33 -0.01 0.00 -1.73 0.00 0.00 68.15 68.86 1rrl h THR 795 CO 1.10 0.00 -0.20 0.03 -0.25 0.00 0.00 175.52 176.19 1rrl h ARG 796 N 0.00 0.74 -0.47 4.72 3.08 -1.98 -0.41 114.38 120.06 1rrl h ARG 796 Ca 0.00 -0.34 -0.08 0.00 0.07 0.00 0.00 59.98 59.63 1rrl h ARG 796 Cb 0.56 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 1rrl h ARG 796 CO 0.00 0.95 -0.03 0.00 -1.07 0.00 0.00 179.97 179.82 1rrl h ALA 797 N 0.77 0.63 -0.77 0.04 0.00 -1.98 -1.11 119.26 116.83 1rrl h ALA 797 Ca 0.07 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1rrl h ALA 797 Cb 0.75 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1rrl h ALA 797 CO 0.06 0.47 0.51 -0.07 0.00 0.00 0.00 179.25 180.21 1rrl h LEU 798 N 0.70 0.87 -0.14 0.00 4.07 -1.39 -0.72 115.31 118.70 1rrl h LEU 798 Ca 0.13 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 1rrl h LEU 798 Cb 0.55 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 1rrl h LEU 798 CO 0.03 0.62 0.04 -0.08 -1.08 0.00 0.00 178.44 177.97 1rrl h GLU 799 N 1.03 0.22 -0.58 1.13 4.81 -0.96 -1.56 114.58 118.67 1rrl h GLU 799 Ca 0.29 -0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.56 1rrl h GLU 799 Cb -0.09 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.19 1rrl h GLU 799 CO -0.07 0.37 0.22 0.00 -0.73 0.00 0.00 179.01 178.79 1rrl h ALA 800 N 0.84 0.74 -0.43 2.92 0.00 -0.96 -1.98 119.26 120.39 1rrl h ALA 800 Ca 0.04 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1rrl h ALA 800 Cb 0.24 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1rrl h ALA 800 CO -0.00 -0.19 0.22 0.35 0.00 0.00 0.00 179.25 179.63 1rrl h PHE 801 N 0.40 0.58 -0.50 0.00 3.57 -0.95 -1.84 116.94 118.19 1rrl h PHE 801 Ca 0.29 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.68 1rrl h PHE 801 Cb 0.34 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1rrl h PHE 801 CO -0.17 0.42 -0.10 -0.22 -2.23 0.00 0.00 178.31 176.02 1rrl h LYS 802 N 0.60 0.92 0.00 1.11 1.63 -0.66 -2.04 116.57 118.14 1rrl h LYS 802 Ca 0.15 -0.32 -0.06 0.00 -0.85 0.00 0.00 60.65 59.57 1rrl h LYS 802 Cb 0.05 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 1rrl h LYS 802 CO -0.02 0.98 -0.30 0.00 -3.45 0.00 0.00 179.45 176.65 1rrl h ARG 803 N 0.83 0.00 -0.50 1.90 3.08 -0.73 -0.20 114.38 118.75 1rrl h ARG 803 Ca 0.13 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 1rrl h ARG 803 Cb 0.63 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1rrl h ARG 803 CO 0.04 0.30 0.03 0.35 -1.07 0.00 0.00 179.97 179.63 1rrl h PHE 804 N 0.00 0.94 -0.02 3.04 3.57 -1.02 -2.54 116.94 120.92 1rrl h PHE 804 Ca -0.00 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.34 1rrl h PHE 804 Cb 0.57 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 1rrl h PHE 804 CO 0.00 0.87 0.00 0.78 -2.23 0.00 0.00 178.31 177.73 1rrl h GLY 805 N 0.74 0.03 0.61 2.40 0.00 -0.71 0.22 103.07 106.37 1rrl h GLY 805 Ca 0.15 -0.02 0.08 0.00 0.00 0.00 0.00 47.33 47.54 1rrl h GLY 805 CO 0.02 0.02 0.52 3.43 0.00 0.00 0.00 176.54 180.53 1rrl h ASN 806 N -0.27 0.79 0.43 0.19 -0.26 -1.12 0.17 115.58 115.51 1rrl h ASN 806 Ca 0.00 0.03 -0.19 0.00 -0.56 0.00 0.00 56.30 55.59 1rrl h ASN 806 Cb 0.31 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 1rrl h ASN 806 CO 0.00 0.47 -0.81 0.50 -1.06 0.00 0.00 177.43 176.53 1rrl h LYS 807 N 0.91 0.29 -0.38 0.81 1.63 -1.12 -0.84 116.57 117.87 1rrl h LYS 807 Ca 0.40 -0.27 -0.08 0.00 -0.85 0.00 0.00 60.65 59.84 1rrl h LYS 807 Cb 0.28 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 1rrl h LYS 807 CO -0.21 0.95 -0.09 -0.07 -3.45 0.00 0.00 179.45 176.58 1rrl h LEU 808 N 0.18 0.74 -0.57 5.20 4.07 0.25 -0.70 115.31 124.48 1rrl h LEU 808 Ca -0.04 -0.36 0.07 0.00 0.08 0.00 0.00 57.88 57.63 1rrl h LEU 808 Cb 1.41 -0.20 -0.06 0.00 1.08 0.00 0.00 40.66 42.89 1rrl h LEU 808 CO 0.13 0.93 0.24 0.00 -1.08 0.00 0.00 178.44 178.66 1rrl h ALA 809 N 0.83 0.73 -0.65 1.53 0.00 -0.46 0.12 119.26 121.36 1rrl h ALA 809 Ca 0.10 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1rrl h ALA 809 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1rrl h ALA 809 CO 0.04 -0.15 0.29 1.96 0.00 0.00 0.00 179.25 181.39 1rrl h GLN 810 N 0.45 0.95 -0.67 0.00 4.20 -0.97 -2.24 115.11 116.82 1rrl h GLN 810 Ca 0.27 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1rrl h GLN 810 Cb 0.27 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1rrl h GLN 810 CO -0.24 0.78 0.44 0.82 -0.67 0.00 0.00 178.83 179.95 1rrl h ILE 811 N 0.91 1.18 -0.68 2.54 2.04 -0.65 -2.51 117.51 120.33 1rrl h ILE 811 Ca 0.22 -0.34 0.09 0.00 1.00 0.00 0.00 64.86 65.83 1rrl h ILE 811 Cb 0.16 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 36.37 1rrl h ILE 811 CO -0.02 0.18 0.33 -0.08 0.00 0.00 0.00 178.15 178.55 1rrl h GLU 812 N 0.92 0.55 -0.50 2.37 4.81 -0.39 0.53 114.58 122.87 1rrl h GLU 812 Ca 0.25 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 1rrl h GLU 812 Cb -0.09 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 1rrl h GLU 812 CO -0.05 0.37 0.11 -0.91 -0.73 0.00 0.00 179.01 177.79 1rrl h ASN 813 N 0.57 0.72 0.85 1.04 -0.26 -1.29 -1.64 115.58 115.58 1rrl h ASN 813 Ca 0.33 -0.13 -0.11 0.00 -0.56 0.00 0.00 56.30 55.84 1rrl h ASN 813 Cb 0.35 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.40 1rrl h ASN 813 CO -0.26 0.72 -0.51 0.50 -1.06 0.00 0.00 177.43 176.82 1rrl h LYS 814 N 0.75 0.00 0.16 0.81 3.64 -0.92 -1.43 116.57 119.58 1rrl h LYS 814 Ca 0.16 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.25 1rrl h LYS 814 Cb 0.30 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1rrl h LYS 814 CO 0.00 0.51 -1.37 -0.07 -2.27 0.00 0.00 179.45 176.25 1rrl h LEU 815 N 0.00 0.53 -0.24 5.20 4.07 -0.41 -2.87 115.31 121.58 1rrl h LEU 815 Ca -0.01 -0.60 -0.04 0.00 0.08 0.00 0.00 57.88 57.32 1rrl h LEU 815 Cb 1.08 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.64 1rrl h LEU 815 CO 0.07 1.47 -0.00 0.28 -1.08 0.00 0.00 178.44 179.18 1rrl h SER 816 N 0.09 0.42 -0.84 -0.43 0.02 -1.23 -2.61 113.55 108.98 1rrl h SER 816 Ca -0.19 -0.31 0.19 0.00 -0.84 0.00 0.00 61.79 60.64 1rrl h SER 816 Cb 2.03 -0.11 -0.15 0.00 0.14 0.00 0.00 62.40 64.31 1rrl h SER 816 CO 0.21 0.63 -0.05 -0.08 -1.14 0.00 0.00 176.83 176.40 1rrl h GLU 817 N 0.20 0.05 -0.54 3.45 4.81 -1.32 -1.01 114.58 120.23 1rrl h GLU 817 Ca 0.07 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1rrl h GLU 817 Cb 0.41 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 1rrl h GLU 817 CO 0.01 0.04 0.28 0.00 -0.73 0.00 0.00 179.01 178.61 1rrl h ARG 818 N 0.06 0.74 0.00 1.92 3.08 -1.25 -2.59 114.38 116.34 1rrl h ARG 818 Ca 0.45 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1rrl h ARG 818 Cb 0.81 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1rrl h ARG 818 CO -0.78 0.55 0.00 0.09 -1.07 0.00 0.00 179.97 178.76 1rrl n ASN 819 N -4.39 0.46 -0.14 7.04 5.03 -0.46 -2.47 115.26 120.33 1rrl n ASN 819 Ca 0.05 0.56 0.15 0.00 0.87 0.00 0.00 54.58 56.20 1rrl n ASN 819 Cb 0.10 -0.67 0.68 0.00 -1.02 0.00 0.00 39.78 38.87 1rrl n ASN 819 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1rrl n ASN 820 N -1.94 0.50 -4.48 6.41 4.13 -0.75 -4.87 115.26 114.25 1rrl n ASN 820 Ca 0.05 -0.78 -0.43 0.00 1.68 0.00 0.00 54.58 55.11 1rrl n ASN 820 Cb 0.36 -0.06 -0.08 0.00 -1.54 0.00 0.00 39.78 38.46 1rrl n ASN 820 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1rrl s ASP 821 N -2.31 6.23 0.31 6.41 -1.08 -1.03 -4.95 116.67 120.25 1rrl s ASP 821 Ca 0.34 -0.64 0.26 0.00 -0.52 0.00 0.00 52.55 51.99 1rrl s ASP 821 Cb 0.21 -2.26 0.91 0.00 -1.46 0.00 0.00 42.92 40.32 1rrl s ASP 821 CO 0.43 -0.68 1.77 1.05 0.52 0.00 0.00 175.17 178.26 1rrl h GLU 822 N 8.80 0.00 -0.35 4.34 9.09 -1.89 -2.59 114.58 131.99 1rrl h GLU 822 Ca -0.26 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.06 1rrl h GLU 822 Cb 1.10 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.19 1rrl h GLU 822 CO 0.85 0.00 -0.13 0.87 0.05 0.00 0.00 179.01 180.64 1rrl h LYS 823 N 0.00 0.62 -5.43 1.06 1.57 -1.94 -3.36 116.57 109.09 1rrl h LYS 823 Ca 0.00 -0.20 -0.68 0.00 -1.87 0.00 0.00 60.65 57.91 1rrl h LYS 823 Cb 0.59 -0.06 -0.14 0.00 0.08 0.00 0.00 32.23 32.71 1rrl h LYS 823 CO 0.00 0.73 1.43 -0.51 -0.57 0.00 0.00 179.45 180.53 1rrl s LEU 824 N -8.91 4.38 0.22 2.94 1.43 -0.97 -4.85 118.68 112.92 1rrl s LEU 824 Ca -0.08 -2.20 -0.07 0.00 -1.03 0.00 0.00 54.13 50.74 1rrl s LEU 824 Cb 0.14 -2.48 0.17 0.00 0.03 0.00 0.00 46.19 44.05 1rrl s LEU 824 CO 0.80 -1.13 1.79 0.03 0.23 0.00 0.00 176.35 178.07 1rrl h ARG 825 N 8.42 1.21 0.00 1.70 3.08 -1.83 -3.12 114.38 123.84 1rrl h ARG 825 Ca 0.27 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1rrl h ARG 825 Cb 0.95 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1rrl h ARG 825 CO 1.30 0.97 0.00 0.09 -1.07 0.00 0.00 179.97 181.26 1rrl n ASN 826 N -4.28 0.00 0.04 7.04 3.02 -1.26 -1.92 115.26 117.90 1rrl n ASN 826 Ca 0.08 0.42 0.13 0.00 -0.03 0.00 0.00 54.58 55.18 1rrl n ASN 826 Cb 0.18 -0.45 0.45 0.00 -0.61 0.00 0.00 39.78 39.35 1rrl n ASN 826 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1rrl n ARG 827 N -1.45 0.12 0.00 3.52 1.74 -1.18 -4.54 116.66 114.88 1rrl n ARG 827 Ca 0.03 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1rrl n ARG 827 Cb 0.09 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 1rrl n ARG 827 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rrl n GLY 829 N 2.09 -2.05 0.13 0.00 0.00 -0.89 -0.17 105.19 104.30 1rrl n GLY 829 Ca 0.00 -1.34 0.12 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.53 0.19 0.00 1.61 -0.04 -1.26 -1.67 135.00 131.30 1rrl n PRO 830 Ca 0.00 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 64.04 1rrl n PRO 830 Cb 0.31 -1.88 0.39 0.00 -0.04 0.00 0.00 33.50 32.27 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 -2.24 0.00 -4.12 0.52 3.14 -1.26 -4.80 118.33 109.57 1rrl n VAL 831 Ca 0.02 -0.10 -0.40 0.00 -2.96 0.00 0.00 64.34 60.90 1rrl n VAL 831 Cb 0.21 0.31 -0.02 0.00 -1.06 0.00 0.00 33.84 33.28 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 -0.82 -0.47 -3.93 1.45 1.13 -0.67 -4.47 117.38 109.59 1rrl n GLN 832 Ca 0.11 0.04 -0.31 0.00 -1.94 0.00 0.00 57.00 54.90 1rrl n GLN 832 Cb 0.34 -2.59 -0.14 0.00 0.11 0.00 0.00 30.24 27.96 1rrl n GLN 832 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1rrl s MET 833 N -7.28 1.92 0.25 -1.09 -1.94 0.76 -4.92 119.30 107.00 1rrl s MET 833 Ca 0.31 -2.39 -0.30 0.00 -1.71 0.00 0.00 55.69 51.60 1rrl s MET 833 Cb -0.17 -3.35 -0.14 0.00 2.01 0.00 0.00 34.83 33.17 1rrl s MET 833 CO 0.92 -1.07 1.11 -2.30 -0.01 0.00 0.00 175.02 173.67 1rrl n PRO 834 N 3.50 1.39 -2.36 2.03 -0.02 -1.24 -4.13 135.00 134.17 1rrl n PRO 834 Ca 0.05 0.49 -0.41 0.00 -2.02 0.00 0.00 63.50 61.61 1rrl n PRO 834 Cb 0.36 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 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 -0.67 2.15 0.00 6.00 5.04 0.45 -4.76 117.35 125.56 1rrl s TYR 835 Ca 0.64 0.38 0.00 0.00 -2.44 0.00 0.00 57.07 55.65 1rrl s TYR 835 Cb -0.74 -4.40 0.00 0.00 0.35 0.00 0.00 41.96 37.17 1rrl s TYR 835 CO 0.56 -2.09 0.38 0.25 -1.34 0.00 0.00 175.55 173.31 1rrl n THR 836 N 6.79 0.00 0.00 4.34 -2.24 -1.26 -4.69 114.28 117.22 1rrl n THR 836 Ca 0.11 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1rrl n THR 836 Cb 0.50 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 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 -0.07 0.00 0.00 3.22 7.94 -0.82 -1.17 117.00 126.10 1rrl n LEU 837 Ca 0.00 0.29 0.00 0.00 -1.11 0.00 0.00 56.01 55.19 1rrl n LEU 837 Cb 0.04 -0.29 0.00 0.00 0.53 0.00 0.00 43.42 43.70 1rrl n LEU 837 CO 0.00 -0.29 0.35 0.18 -1.11 0.00 0.00 177.39 176.53 1rrl n LEU 838 N -1.27 1.38 -4.67 -1.96 4.32 -1.26 -4.33 117.00 109.21 1rrl n LEU 838 Ca 0.00 -1.38 -0.42 0.00 -0.02 0.00 0.00 56.01 54.19 1rrl n LEU 838 Cb 0.04 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.81 1rrl n LEU 838 CO 0.00 0.34 1.37 -0.76 -1.22 0.00 0.00 177.39 177.12 1rrl s LEU 839 N -0.45 4.34 0.31 2.23 1.02 -0.32 -4.86 118.68 120.96 1rrl s LEU 839 Ca 0.00 2.34 0.03 0.00 0.02 0.00 0.00 54.13 56.51 1rrl s LEU 839 Cb 0.00 -3.54 0.52 0.00 0.02 0.00 0.00 46.19 43.19 1rrl s LEU 839 CO 0.00 -0.92 1.84 1.55 0.02 0.00 0.00 176.35 178.84 1rrl h PRO 840 N 9.25 0.60 -6.14 1.29 0.13 -1.89 -1.51 132.00 133.72 1rrl h PRO 840 Ca -0.41 -0.14 -0.58 0.00 -0.87 0.00 0.00 66.00 64.00 1rrl h PRO 840 Cb 1.19 -0.08 -0.06 0.00 0.13 0.00 0.00 31.00 32.18 1rrl h PRO 840 CO 0.94 0.63 -0.54 -1.54 -0.23 0.00 0.00 178.00 177.26 1rrl s SER 841 N -6.71 5.77 -0.00 1.44 1.04 -1.26 -1.67 113.70 112.32 1rrl s SER 841 Ca -0.08 -0.02 -0.25 0.00 0.48 0.00 0.00 55.95 56.08 1rrl s SER 841 Cb 0.15 -1.59 0.06 0.00 0.10 0.00 0.00 66.02 64.73 1rrl s SER 841 CO 0.78 0.08 0.56 -0.55 0.98 0.00 0.00 173.24 175.09 1rrl s SER 842 N -3.01 -0.50 0.87 7.02 0.15 -1.26 -3.93 113.70 113.03 1rrl s SER 842 Ca 0.32 0.39 -0.13 0.00 0.70 0.00 0.00 55.95 57.22 1rrl s SER 842 Cb -0.11 0.49 0.13 0.00 -1.71 0.00 0.00 66.02 64.82 1rrl s SER 842 CO 0.25 -0.64 1.23 -1.59 1.20 0.00 0.00 173.24 173.69 1rrl s LYS 843 N -1.77 1.43 0.93 5.44 0.00 -1.26 -5.03 119.74 119.48 1rrl s LYS 843 Ca -0.09 -0.11 -0.10 0.00 0.00 0.00 0.00 55.97 55.67 1rrl s LYS 843 Cb -0.01 -1.91 0.15 0.00 0.00 0.00 0.00 37.83 36.06 1rrl s LYS 843 CO 0.04 -1.92 1.13 -1.83 0.00 0.00 0.00 175.35 172.77 1rrl s GLU 844 N -5.70 0.91 0.00 1.78 -1.05 -1.26 -4.81 118.70 108.57 1rrl s GLU 844 Ca 0.67 1.46 0.00 0.00 -0.15 0.00 0.00 54.97 56.95 1rrl s GLU 844 Cb -0.08 -1.72 0.00 0.00 -0.44 0.00 0.00 34.13 31.89 1rrl s GLU 844 CO 0.51 -2.68 0.00 0.41 0.95 0.00 0.00 175.26 174.45 1rrl n GLY 845 N 0.17 -1.79 3.22 -3.83 0.00 0.28 -4.74 105.19 98.50 1rrl n GLY 845 Ca 0.11 -2.04 -0.44 0.00 0.00 0.00 0.00 46.02 43.65 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 5.86 -4.96 0.99 0.00 -1.26 -0.32 117.00 117.30 1rrl n LEU 846 Ca 0.00 -4.95 -0.19 0.00 0.00 0.00 0.00 56.01 50.87 1rrl n LEU 846 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 43.42 41.98 1rrl n LEU 846 CO 0.00 1.34 0.11 0.42 0.00 0.00 0.00 177.39 179.27 1rrl s THR 847 N -1.05 2.71 -0.41 1.96 -4.23 -1.26 -5.01 115.64 108.34 1rrl s THR 847 Ca 0.34 -1.14 0.04 0.00 -1.18 0.00 0.00 61.69 59.75 1rrl s THR 847 Cb -0.02 -2.86 0.47 0.00 1.34 0.00 0.00 72.50 71.43 1rrl s THR 847 CO -0.00 0.00 1.52 0.33 -0.54 0.00 0.00 174.62 175.92 1rrl n PHE 848 N -1.79 2.60 -3.88 3.99 7.35 -1.26 -4.94 117.46 119.53 1rrl n PHE 848 Ca 0.07 -2.36 -0.09 0.00 -0.76 0.00 0.00 57.45 54.31 1rrl n PHE 848 Cb 0.61 -0.73 -0.01 0.00 0.35 0.00 0.00 39.48 39.70 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 -3.61 1.92 0.00 -4.13 1.70 -1.26 -1.94 118.95 111.64 1rrl s ARG 849 Ca 0.54 -1.24 0.00 0.00 -0.47 0.00 0.00 55.73 54.56 1rrl s ARG 849 Cb 0.44 0.58 0.00 0.00 -0.57 0.00 0.00 34.95 35.40 1rrl s ARG 849 CO 0.02 -0.87 0.00 0.41 -1.08 0.00 0.00 175.30 173.78 1rrl n GLY 850 N -0.48 0.61 3.49 3.88 0.00 -0.58 -4.81 105.19 107.29 1rrl n GLY 850 Ca -0.05 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 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 0.00 4.92 0.70 -0.61 1.01 -0.67 -4.94 121.20 121.61 1rrl s ILE 851 Ca 0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.35 1rrl s ILE 851 Cb 0.00 -4.18 0.01 0.00 0.01 0.00 0.00 42.46 38.30 1rrl s ILE 851 CO 0.00 -0.60 1.06 -2.84 0.00 0.00 0.00 174.94 172.56 1rrl s PRO 852 N 2.56 2.91 0.61 2.79 0.02 -1.26 -1.02 135.00 141.61 1rrl s PRO 852 Ca 0.17 0.95 0.38 0.00 0.02 0.00 0.00 61.00 62.52 1rrl s PRO 852 Cb -0.16 -1.99 1.96 0.00 0.02 0.00 0.00 34.50 34.32 1rrl s PRO 852 CO 0.15 -1.12 2.21 -0.91 -0.33 0.00 0.00 177.00 177.01 1rrl h ASN 853 N -0.73 0.00 -5.38 2.53 2.35 -1.73 -3.39 115.58 109.23 1rrl h ASN 853 Ca -0.44 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.10 1rrl h ASN 853 Cb 1.21 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.53 1rrl h ASN 853 CO 0.57 0.02 -0.05 -0.94 -1.65 0.00 0.00 177.43 175.38 1rrl s SER 854 N -5.51 0.69 -0.68 5.81 1.04 -1.18 -3.87 113.70 110.01 1rrl s SER 854 Ca -0.03 -1.41 -0.20 0.00 0.48 0.00 0.00 55.95 54.79 1rrl s SER 854 Cb 0.12 0.73 0.10 0.00 0.10 0.00 0.00 66.02 67.06 1rrl s SER 854 CO 0.48 -1.43 0.88 -0.63 0.98 0.00 0.00 173.24 173.52 1rrl s ILE 855 N -2.78 4.62 -1.55 -1.02 1.01 -1.05 -4.67 121.20 115.77 1rrl s ILE 855 Ca 0.26 -0.87 0.14 0.00 0.00 0.00 0.00 60.65 60.18 1rrl s ILE 855 Cb -0.02 -4.62 0.06 0.00 0.01 0.00 0.00 42.46 37.89 1rrl s ILE 855 CO 0.18 -1.32 0.87 -1.54 0.00 0.00 0.00 174.94 173.13 1rrl n SER 856 N 6.86 1.86 0.00 3.58 3.41 -1.26 -3.53 113.62 124.54 1rrl n SER 856 Ca -0.01 -1.43 0.00 0.00 -0.26 0.00 0.00 58.87 57.17 1rrl n SER 856 Cb 0.45 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 1rrl n SER 856 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88