#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1orr s LYS 3 N 0.00 3.61 -0.15 0.00 1.02 -1.26 -2.75 119.74 120.22 1orr s LYS 3 Ca 0.00 -0.20 0.02 0.00 0.02 0.00 0.00 55.97 55.80 1orr s LYS 3 Cb 0.00 -3.20 0.01 0.00 -0.52 0.00 0.00 37.83 34.12 1orr s LYS 3 CO 0.00 0.61 -0.19 -1.17 -0.92 0.00 0.00 175.35 173.68 1orr s LEU 4 N -0.56 2.25 -0.17 3.17 2.96 0.15 -0.83 118.68 125.67 1orr s LEU 4 Ca 0.12 -0.56 -0.08 0.00 -0.22 0.00 0.00 54.13 53.39 1orr s LEU 4 Cb -0.12 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 1orr s LEU 4 CO 0.02 0.08 0.12 -0.22 -1.32 0.00 0.00 176.35 175.03 1orr s LEU 5 N 0.84 4.20 -0.26 -0.68 2.96 0.14 -1.29 118.68 124.59 1orr s LEU 5 Ca -0.06 0.29 0.02 0.00 -0.22 0.00 0.00 54.13 54.17 1orr s LEU 5 Cb -0.15 -2.06 0.07 0.00 0.50 0.00 0.00 46.19 44.55 1orr s LEU 5 CO -0.02 0.27 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.58 1orr s ILE 6 N -0.16 1.95 0.32 6.68 1.01 0.34 -0.79 121.20 130.55 1orr s ILE 6 Ca 0.10 -1.60 -0.20 0.00 0.00 0.00 0.00 60.65 58.95 1orr s ILE 6 Cb -0.12 -2.17 -0.09 0.00 0.01 0.00 0.00 42.46 40.09 1orr s ILE 6 CO 0.00 -0.15 0.83 0.42 0.00 0.00 0.00 174.94 176.05 1orr s THR 7 N 1.18 4.47 -0.65 2.92 -4.23 -0.28 -1.77 115.64 117.29 1orr s THR 7 Ca -0.05 1.36 0.00 0.00 -1.18 0.00 0.00 61.69 61.83 1orr s THR 7 Cb -0.19 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 69.89 1orr s THR 7 CO -0.06 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 1orr n GLY 8 N 0.05 0.84 0.28 3.99 0.00 0.28 -2.08 105.19 108.54 1orr n GLY 8 Ca 0.03 -0.65 0.15 0.00 0.00 0.00 0.00 46.02 45.54 1orr n GLY 8 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1orr h GLY 9 N 0.00 0.00 -2.33 -0.02 0.00 -1.49 -1.53 103.07 97.71 1orr h GLY 9 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1orr h GLY 9 CO 0.18 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.72 1orr n GLY 11 N 1.46 -0.09 0.39 0.00 0.00 -0.57 -4.32 105.19 102.07 1orr n GLY 11 Ca 0.20 -1.79 -0.15 0.00 0.00 0.00 0.00 46.02 44.28 1orr n GLY 11 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1orr h PHE 12 N -0.44 -0.90 -0.03 1.61 3.57 -1.86 0.29 116.94 119.19 1orr h PHE 12 Ca 0.00 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1orr h PHE 12 Cb 0.00 0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 1orr h PHE 12 CO 0.00 -0.56 0.01 -0.07 -2.23 0.00 0.00 178.31 175.46 1orr h LEU 13 N -1.15 0.04 -0.64 0.59 3.38 -1.90 -2.93 115.31 112.71 1orr h LEU 13 Ca -0.10 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 57.81 1orr h LEU 13 Cb 0.75 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 1orr h LEU 13 CO 0.16 0.16 0.32 1.23 0.09 0.00 0.00 178.44 180.41 1orr h GLY 14 N -0.09 0.93 1.72 0.83 0.00 -1.72 0.34 103.07 105.08 1orr h GLY 14 Ca 0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 47.33 47.03 1orr h GLY 14 CO -0.00 0.09 -0.32 1.48 0.00 0.00 0.00 176.54 177.79 1orr h SER 15 N 0.58 0.33 -0.25 0.19 4.64 -0.62 0.25 113.55 118.67 1orr h SER 15 Ca 0.30 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.46 1orr h SER 15 Cb 0.26 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1orr h SER 15 CO -0.22 0.64 -0.01 0.78 -0.87 0.00 0.00 176.83 177.14 1orr h ASN 16 N 0.28 0.45 -0.54 4.97 2.35 -1.21 -0.93 115.58 120.95 1orr h ASN 16 Ca 0.04 -0.32 -0.10 0.00 -0.55 0.00 0.00 56.30 55.37 1orr h ASN 16 Cb 0.71 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 1orr h ASN 16 CO 0.05 0.67 -0.02 -0.07 -1.65 0.00 0.00 177.43 176.41 1orr h LEU 17 N 0.23 0.98 -0.71 1.61 3.38 -0.65 -2.87 115.31 117.28 1orr h LEU 17 Ca 0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1orr h LEU 17 Cb 0.44 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1orr h LEU 17 CO 0.02 1.05 0.39 0.00 0.09 0.00 0.00 178.44 179.98 1orr h ALA 18 N 1.05 0.91 -0.88 1.53 0.00 -0.29 -2.02 119.26 119.56 1orr h ALA 18 Ca 0.16 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1orr h ALA 18 Cb 0.56 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1orr h ALA 18 CO 0.03 0.42 0.58 0.66 0.00 0.00 0.00 179.25 180.94 1orr h SER 19 N 0.98 1.01 -0.55 0.00 4.64 -1.02 -0.77 113.55 117.84 1orr h SER 19 Ca 0.25 -0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.43 1orr h SER 19 Cb 0.04 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 1orr h SER 19 CO -0.04 0.74 -0.10 0.15 -0.87 0.00 0.00 176.83 176.71 1orr h PHE 20 N 1.19 1.16 -0.95 4.77 3.57 -1.22 -1.42 116.94 124.04 1orr h PHE 20 Ca 0.32 -0.24 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1orr h PHE 20 Cb -0.13 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 38.28 1orr h PHE 20 CO 0.00 1.07 0.57 0.00 -2.23 0.00 0.00 178.31 177.72 1orr h ALA 21 N 0.94 1.23 -0.45 2.41 0.00 -0.62 -1.12 119.26 121.65 1orr h ALA 21 Ca 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1orr h ALA 21 Cb 0.67 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1orr h ALA 21 CO 0.05 0.66 0.17 -0.07 0.00 0.00 0.00 179.25 180.07 1orr h LEU 22 N 1.30 0.63 -1.18 0.00 3.38 -0.92 0.91 115.31 119.43 1orr h LEU 22 Ca 0.34 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1orr h LEU 22 Cb -0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1orr h LEU 22 CO -0.06 0.63 -0.39 0.77 0.09 0.00 0.00 178.44 179.48 1orr h SER 23 N 0.59 0.00 -0.29 -0.43 4.64 -0.77 -1.87 113.55 115.41 1orr h SER 23 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1orr h SER 23 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1orr h SER 23 CO -0.01 0.39 0.00 0.00 -0.87 0.00 0.00 176.83 176.34 1orr n GLN 24 N -3.88 2.01 -3.13 4.77 1.13 -0.47 -4.92 117.38 112.89 1orr n GLN 24 Ca -0.01 -1.53 -0.19 0.00 -1.94 0.00 0.00 57.00 53.33 1orr n GLN 24 Cb 0.44 -1.42 0.05 0.00 0.11 0.00 0.00 30.24 29.42 1orr n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1orr n GLY 25 N 1.25 -0.28 3.75 1.08 0.00 -0.44 -4.98 105.19 105.57 1orr n GLY 25 Ca 0.17 0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1orr n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1orr s ILE 26 N -3.16 5.23 0.06 -0.61 1.01 0.30 -5.00 121.20 119.03 1orr s ILE 26 Ca 0.36 0.73 -0.30 0.00 0.00 0.00 0.00 60.65 61.44 1orr s ILE 26 Cb -0.16 -3.70 -0.09 0.00 0.01 0.00 0.00 42.46 38.51 1orr s ILE 26 CO 0.45 0.40 1.95 0.47 0.00 0.00 0.00 174.94 178.21 1orr n ASP 27 N 3.29 4.17 -4.34 3.58 8.00 -1.11 -4.43 116.55 125.72 1orr n ASP 27 Ca -0.11 0.92 -0.32 0.00 0.71 0.00 0.00 54.79 55.99 1orr n ASP 27 Cb 0.52 -1.54 -0.15 0.00 -0.02 0.00 0.00 41.12 39.93 1orr n ASP 27 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1orr s LEU 28 N 4.11 2.30 -0.14 0.64 2.96 -1.26 0.35 118.68 127.64 1orr s LEU 28 Ca 0.87 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 54.40 1orr s LEU 28 Cb -0.44 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 44.83 1orr s LEU 28 CO 0.41 0.28 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.91 1orr s ILE 29 N -0.36 1.81 -0.16 6.68 1.09 -0.41 -1.48 121.20 128.37 1orr s ILE 29 Ca 0.03 -0.81 -0.02 0.00 -1.10 0.00 0.00 60.65 58.74 1orr s ILE 29 Cb -0.12 -1.63 -0.02 0.00 -1.06 0.00 0.00 42.46 39.63 1orr s ILE 29 CO 0.02 0.50 -0.08 -0.69 -0.10 0.00 0.00 174.94 174.59 1orr s VAL 30 N 1.07 3.42 -0.17 2.92 1.01 0.11 -0.50 120.40 128.25 1orr s VAL 30 Ca -0.03 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.44 1orr s VAL 30 Cb -0.14 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.75 1orr s VAL 30 CO -0.05 0.49 -0.15 0.12 0.00 0.00 0.00 175.10 175.51 1orr s PHE 31 N 0.64 2.81 0.07 5.22 5.36 -0.73 0.05 117.98 131.40 1orr s PHE 31 Ca -0.04 -1.22 -0.26 0.00 -0.96 0.00 0.00 56.93 54.45 1orr s PHE 31 Cb -0.15 -1.94 0.08 0.00 -0.34 0.00 0.00 43.02 40.67 1orr s PHE 31 CO 0.03 -0.60 0.68 0.34 -1.46 0.00 0.00 175.22 174.21 1orr s ASP 32 N 1.09 -0.56 0.00 6.13 -1.08 -0.95 -0.56 116.67 120.75 1orr s ASP 32 Ca -0.00 0.20 0.18 0.00 -0.52 0.00 0.00 52.55 52.42 1orr s ASP 32 Cb -0.14 0.54 0.20 0.00 -1.46 0.00 0.00 42.92 42.06 1orr s ASP 32 CO -0.05 -0.80 1.14 -0.46 0.52 0.00 0.00 175.17 175.52 1orr n ASN 33 N 0.02 2.71 -1.85 -0.34 6.94 -1.10 -1.54 115.26 120.09 1orr n ASN 33 Ca -0.16 -1.81 -0.20 0.00 -0.02 0.00 0.00 54.58 52.39 1orr n ASN 33 Cb 0.62 -0.06 -0.05 0.00 -2.36 0.00 0.00 39.78 37.93 1orr n ASN 33 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1orr n LEU 34 N 1.07 -1.65 0.11 -4.53 4.77 -1.26 -4.90 117.00 110.61 1orr n LEU 34 Ca 0.12 0.25 -0.03 0.00 -0.03 0.00 0.00 56.01 56.32 1orr n LEU 34 Cb 0.48 -2.76 0.07 0.00 -2.33 0.00 0.00 43.42 38.88 1orr n LEU 34 CO 0.12 -0.64 0.38 0.77 -1.33 0.00 0.00 177.39 176.69 1orr h SER 35 N 0.00 0.00 -3.22 -1.43 4.64 -1.98 -3.45 113.55 108.11 1orr h SER 35 Ca -0.43 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.35 1orr h SER 35 Cb 1.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 1orr h SER 35 CO 0.57 0.73 0.55 -0.60 -0.87 0.00 0.00 176.83 177.21 1orr s ARG 36 N -3.24 4.44 0.31 4.77 6.06 -1.26 -4.97 118.95 125.05 1orr s ARG 36 Ca -0.00 1.63 -0.30 0.00 -2.50 0.00 0.00 55.73 54.57 1orr s ARG 36 Cb 0.11 -3.44 -0.12 0.00 0.06 0.00 0.00 34.95 31.56 1orr s ARG 36 CO 0.78 -0.26 1.53 1.63 -2.50 0.00 0.00 175.30 176.48 1orr n LYS 37 N 4.31 2.56 0.00 5.12 5.02 -1.26 -1.06 118.16 132.85 1orr n LYS 37 Ca 0.09 0.91 0.00 0.00 -2.02 0.00 0.00 58.31 57.28 1orr n LYS 37 Cb 0.48 -2.65 0.00 0.00 -0.02 0.00 0.00 35.03 32.84 1orr n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1orr n GLY 38 N 1.73 3.00 0.33 0.72 0.00 -1.26 -4.75 105.19 104.96 1orr n GLY 38 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 1orr n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1orr h ALA 39 N 0.00 1.10 -0.69 4.61 0.00 -1.29 0.50 119.26 123.49 1orr h ALA 39 Ca 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1orr h ALA 39 Cb 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 1orr h ALA 39 CO 0.00 0.51 0.21 1.79 0.00 0.00 0.00 179.25 181.75 1orr h THR 40 N 1.18 1.25 -0.53 0.00 1.35 -1.86 0.33 112.91 114.63 1orr h THR 40 Ca 0.32 -0.88 -0.06 0.00 -0.55 0.00 0.00 66.41 65.24 1orr h THR 40 Cb -0.13 0.50 -0.02 0.00 -1.73 0.00 0.00 68.15 66.76 1orr h THR 40 CO -0.07 0.34 0.09 0.44 -0.25 0.00 0.00 175.52 176.07 1orr h ASP 41 N 1.02 0.84 -0.60 5.36 3.32 -1.81 0.82 116.42 125.37 1orr h ASP 41 Ca 0.22 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 1orr h ASP 41 Cb 0.30 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1orr h ASP 41 CO -0.01 0.89 0.12 0.78 -1.72 0.00 0.00 179.24 179.30 1orr h ASN 42 N 0.77 0.96 -0.40 6.45 2.35 -0.59 0.22 115.58 125.34 1orr h ASN 42 Ca 0.16 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1orr h ASN 42 Cb 0.40 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1orr h ASN 42 CO 0.01 0.95 0.23 0.25 -1.65 0.00 0.00 177.43 177.22 1orr h LEU 43 N 0.96 0.49 -0.55 1.61 5.85 -0.44 0.84 115.31 124.06 1orr h LEU 43 Ca 0.20 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1orr h LEU 43 Cb 0.39 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1orr h LEU 43 CO 0.01 0.42 0.24 0.45 -0.34 0.00 0.00 178.44 179.22 1orr h HIS 44 N 0.51 0.83 -0.15 1.25 3.86 -0.39 -1.29 115.15 119.78 1orr h HIS 44 Ca 0.14 -0.05 0.03 0.00 -1.16 0.00 0.00 60.37 59.33 1orr h HIS 44 Cb 0.04 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.23 1orr h HIS 44 CO -0.03 0.66 -0.04 2.35 0.86 0.00 0.00 177.93 181.73 1orr h TRP 45 N 0.75 -0.10 -0.97 2.45 7.01 -0.24 -1.95 115.95 122.91 1orr h TRP 45 Ca 0.19 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.25 1orr h TRP 45 Cb 0.17 0.07 -0.06 0.00 -2.10 0.00 0.00 29.16 27.23 1orr h TRP 45 CO 0.00 -0.07 0.63 -0.07 -2.79 0.00 0.00 178.44 176.14 1orr h LEU 46 N -0.01 1.02 -2.12 0.65 3.38 -0.58 -0.88 115.31 116.77 1orr h LEU 46 Ca 0.07 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.11 1orr h LEU 46 Cb 0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1orr h LEU 46 CO -0.16 0.67 0.21 0.28 0.09 0.00 0.00 178.44 179.54 1orr h SER 47 N 1.17 0.00 0.19 -0.43 0.02 -0.48 0.12 113.55 114.14 1orr h SER 47 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1orr h SER 47 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1orr h SER 47 CO -0.14 0.00 -0.07 -1.54 -1.14 0.00 0.00 176.83 173.94 1orr n SER 48 N -4.10 0.63 -0.00 3.07 3.41 -0.34 -3.56 113.62 112.72 1orr n SER 48 Ca 0.03 -0.89 0.06 0.00 -0.26 0.00 0.00 58.87 57.82 1orr n SER 48 Cb 0.36 -0.03 -0.09 0.00 -0.26 0.00 0.00 64.21 64.19 1orr n SER 48 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1orr n LEU 49 N -0.70 0.26 0.00 1.04 4.77 0.39 -5.08 117.00 117.69 1orr n LEU 49 Ca 0.17 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1orr n LEU 49 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1orr n LEU 49 CO 0.21 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1orr n GLY 50 N 1.56 -1.58 3.67 -0.72 0.00 -1.04 -4.86 105.19 102.22 1orr n GLY 50 Ca -0.00 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 1orr n GLY 50 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1orr s ASN 51 N -2.51 5.05 0.18 1.61 0.01 -1.26 -4.45 114.94 113.56 1orr s ASN 51 Ca 0.00 -0.05 -0.24 0.00 -0.71 0.00 0.00 52.86 51.86 1orr s ASN 51 Cb 0.00 -1.28 0.06 0.00 0.41 0.00 0.00 41.25 40.44 1orr s ASN 51 CO 0.00 0.26 0.94 0.72 -1.51 0.00 0.00 177.10 177.52 1orr s PHE 52 N -1.11 -0.09 -0.33 2.20 -0.12 -1.26 -4.81 117.98 112.46 1orr s PHE 52 Ca 0.20 -0.27 -0.17 0.00 -0.05 0.00 0.00 56.93 56.64 1orr s PHE 52 Cb -0.11 0.67 -0.01 0.00 -0.63 0.00 0.00 43.02 42.93 1orr s PHE 52 CO 0.11 -0.92 0.47 -1.21 -0.05 0.00 0.00 175.22 173.62 1orr s GLU 53 N -3.11 3.72 -0.26 1.99 0.41 -0.55 -5.01 118.70 115.90 1orr s GLU 53 Ca 0.14 -0.12 -0.11 0.00 -0.41 0.00 0.00 54.97 54.48 1orr s GLU 53 Cb -0.02 -3.77 -0.05 0.00 -1.78 0.00 0.00 34.13 28.51 1orr s GLU 53 CO 0.04 -0.54 0.17 0.12 -0.49 0.00 0.00 175.26 174.56 1orr s PHE 54 N 2.28 3.26 -0.25 1.61 5.36 -1.26 0.05 117.98 129.03 1orr s PHE 54 Ca 0.17 0.15 0.03 0.00 -0.96 0.00 0.00 56.93 56.32 1orr s PHE 54 Cb -0.16 -2.32 0.05 0.00 -0.34 0.00 0.00 43.02 40.26 1orr s PHE 54 CO 0.12 -0.05 -0.12 0.08 -1.46 0.00 0.00 175.22 173.79 1orr s VAL 55 N 1.40 2.11 0.17 3.12 1.01 0.11 -4.96 120.40 123.35 1orr s VAL 55 Ca 0.07 -1.51 -0.30 0.00 0.00 0.00 0.00 61.98 60.24 1orr s VAL 55 Cb -0.15 -2.19 -0.08 0.00 0.00 0.00 0.00 36.38 33.97 1orr s VAL 55 CO 0.07 0.05 1.17 -2.28 0.00 0.00 0.00 175.10 174.11 1orr s HIS 56 N 1.15 3.47 -0.08 5.22 2.46 -1.26 -2.23 115.29 124.02 1orr s HIS 56 Ca -0.07 1.45 -0.32 0.00 0.47 0.00 0.00 55.06 56.60 1orr s HIS 56 Cb -0.19 -3.39 0.12 0.00 -0.13 0.00 0.00 32.58 29.00 1orr s HIS 56 CO -0.06 -1.06 1.22 0.20 -2.47 0.00 0.00 174.74 172.57 1orr s GLY 57 N 0.17 -0.36 -0.29 1.59 0.00 -0.59 -4.88 107.32 102.97 1orr s GLY 57 Ca 0.53 1.03 -0.06 0.00 0.00 0.00 0.00 44.72 46.22 1orr s GLY 57 CO 0.35 0.29 0.05 -0.35 0.00 0.00 0.00 173.10 173.44 1orr s ASP 58 N -2.64 4.98 0.58 1.64 -1.08 -1.26 -2.71 116.67 116.18 1orr s ASP 58 Ca 0.12 -0.74 0.28 0.00 -0.52 0.00 0.00 52.55 51.69 1orr s ASP 58 Cb 0.02 -1.84 1.64 0.00 -1.46 0.00 0.00 42.92 41.28 1orr s ASP 58 CO -0.04 -0.18 2.12 -0.29 0.52 0.00 0.00 175.17 177.30 1orr h ILE 59 N 5.92 0.53 0.00 4.11 6.09 -1.96 -0.63 117.51 131.56 1orr h ILE 59 Ca -0.31 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.14 1orr h ILE 59 Cb 1.12 0.86 -0.01 0.00 0.47 0.00 0.00 36.82 39.27 1orr h ILE 59 CO 0.60 0.00 -0.18 0.03 -3.07 0.00 0.00 178.15 175.52 1orr h ARG 60 N 0.00 0.00 -6.05 2.19 3.08 -1.87 -3.35 114.38 108.38 1orr h ARG 60 Ca 0.08 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.52 1orr h ARG 60 Cb 0.42 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.36 1orr h ARG 60 CO -0.00 0.18 0.52 1.21 -1.07 0.00 0.00 179.97 180.81 1orr s ASN 61 N -6.19 6.48 0.25 7.04 3.84 -0.25 -4.77 114.94 121.33 1orr s ASN 61 Ca -0.01 0.07 -0.05 0.00 0.21 0.00 0.00 52.86 53.07 1orr s ASN 61 Cb 0.12 -2.43 0.31 0.00 -0.55 0.00 0.00 41.25 38.70 1orr s ASN 61 CO 0.61 -1.01 1.89 0.50 -2.79 0.00 0.00 177.10 176.30 1orr h LYS 62 N 9.04 1.13 -0.33 0.43 3.64 -1.84 -2.27 116.57 126.36 1orr h LYS 62 Ca -0.24 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 1orr h LYS 62 Cb 1.08 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 1orr h LYS 62 CO 1.01 0.75 0.08 -0.97 -2.27 0.00 0.00 179.45 178.05 1orr h ASN 63 N 1.16 0.49 -0.68 4.20 -1.24 -1.94 0.20 115.58 117.78 1orr h ASN 63 Ca 0.38 -0.23 0.05 0.00 0.71 0.00 0.00 56.30 57.21 1orr h ASN 63 Cb 0.03 -0.13 -0.05 0.00 0.73 0.00 0.00 38.32 38.90 1orr h ASN 63 CO -0.13 0.59 0.39 0.44 -1.29 0.00 0.00 177.43 177.43 1orr h ASP 64 N 0.37 0.61 -0.20 1.15 3.32 -1.76 -1.54 116.42 118.36 1orr h ASP 64 Ca 0.10 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 1orr h ASP 64 Cb 0.29 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1orr h ASP 64 CO 0.00 0.40 -0.10 0.58 -1.72 0.00 0.00 179.24 178.40 1orr h VAL 65 N 0.74 1.31 -0.63 -1.35 2.07 -1.24 -1.93 116.25 115.22 1orr h VAL 65 Ca 0.29 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 1orr h VAL 65 Cb 0.13 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1orr h VAL 65 CO -0.16 0.35 0.31 0.74 0.02 0.00 0.00 177.57 178.83 1orr h THR 66 N 0.11 1.22 -0.76 2.57 2.02 -0.76 -1.97 112.91 115.34 1orr h THR 66 Ca 0.04 -0.60 -0.05 0.00 0.77 0.00 0.00 66.41 66.57 1orr h THR 66 Cb 0.59 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1orr h THR 66 CO 0.03 0.25 0.28 0.03 0.37 0.00 0.00 175.52 176.48 1orr h ARG 67 N 0.87 1.15 -0.19 6.66 3.08 -1.31 -0.50 114.38 124.15 1orr h ARG 67 Ca 0.22 -0.22 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1orr h ARG 67 Cb 0.11 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1orr h ARG 67 CO -0.03 0.95 0.05 1.25 -1.07 0.00 0.00 179.97 181.12 1orr h LEU 68 N 1.11 0.05 -0.25 3.04 5.85 -0.97 0.10 115.31 124.25 1orr h LEU 68 Ca 0.25 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 1orr h LEU 68 Cb 0.25 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1orr h LEU 68 CO -0.02 0.05 0.07 0.40 -0.34 0.00 0.00 178.44 178.61 1orr h ILE 69 N 0.14 1.21 -0.34 4.05 1.08 -0.96 -1.62 117.51 121.06 1orr h ILE 69 Ca 0.08 -0.67 -0.08 0.00 -0.39 0.00 0.00 64.86 63.80 1orr h ILE 69 Cb 0.06 1.17 -0.02 0.00 -3.07 0.00 0.00 36.82 34.97 1orr h ILE 69 CO -0.10 0.22 -0.13 0.71 -0.69 0.00 0.00 178.15 178.16 1orr h THR 70 N 0.23 1.25 -0.00 -0.27 1.35 -0.92 0.37 112.91 114.91 1orr h THR 70 Ca 0.08 -1.10 -0.00 0.00 -0.55 0.00 0.00 66.41 64.83 1orr h THR 70 Cb 0.26 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1orr h THR 70 CO -0.00 0.37 -0.01 0.50 -0.25 0.00 0.00 175.52 176.12 1orr h LYS 71 N 0.55 0.02 0.00 4.72 3.64 -0.77 -3.37 116.57 121.36 1orr h LYS 71 Ca 0.10 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1orr h LYS 71 Cb 0.55 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1orr h LYS 71 CO 0.03 0.61 -1.37 0.66 -2.27 0.00 0.00 179.45 177.11 1orr n TYR 72 N -4.79 0.69 -4.01 1.91 4.02 -0.61 -5.00 117.16 109.37 1orr n TYR 72 Ca -0.09 0.21 -0.35 0.00 -0.01 0.00 0.00 57.90 57.66 1orr n TYR 72 Cb 0.31 -0.87 -0.01 0.00 -0.02 0.00 0.00 39.34 38.75 1orr n TYR 72 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1orr n MET 73 N -2.61 -1.37 -1.23 -0.72 2.81 0.13 -4.89 117.12 109.24 1orr n MET 73 Ca -0.04 0.25 -0.34 0.00 -1.81 0.00 0.00 57.70 55.76 1orr n MET 73 Cb 0.62 -3.61 0.11 0.00 -0.71 0.00 0.00 33.22 29.64 1orr n MET 73 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1orr s PRO 74 N -6.87 1.83 0.09 0.03 0.04 -1.26 -4.92 135.00 123.93 1orr s PRO 74 Ca 0.26 1.75 0.16 0.00 0.04 0.00 0.00 61.00 63.21 1orr s PRO 74 Cb -0.12 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.51 1orr s PRO 74 CO 0.93 -2.07 0.93 -0.44 0.04 0.00 0.00 177.00 176.39 1orr h ASP 75 N -0.69 0.00 -5.14 6.66 3.32 -1.33 -3.41 116.42 115.83 1orr h ASP 75 Ca -0.47 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.49 1orr h ASP 75 Cb 1.29 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.70 1orr h ASP 75 CO 0.47 0.59 -0.40 -0.44 -1.72 0.00 0.00 179.24 177.74 1orr s SER 76 N -5.92 0.13 -0.14 6.45 0.01 -1.06 -1.18 113.70 111.99 1orr s SER 76 Ca -0.02 -0.61 -0.12 0.00 1.31 0.00 0.00 55.95 56.51 1orr s SER 76 Cb 0.09 0.32 0.04 0.00 0.21 0.00 0.00 66.02 66.67 1orr s SER 76 CO 0.80 -0.68 0.37 0.00 0.41 0.00 0.00 173.24 174.15 1orr s PHE 78 N 0.43 3.18 -0.88 0.00 0.08 0.03 -1.39 117.98 119.44 1orr s PHE 78 Ca -0.02 -1.04 -0.17 0.00 0.12 0.00 0.00 56.93 55.82 1orr s PHE 78 Cb -0.04 -2.29 0.17 0.00 -0.57 0.00 0.00 43.02 40.29 1orr s PHE 78 CO -0.02 -0.61 0.97 -1.58 -0.10 0.00 0.00 175.22 173.88 1orr s HIS 79 N 1.49 3.37 -0.62 0.36 5.65 -0.29 -1.12 115.29 124.13 1orr s HIS 79 Ca 0.02 -1.62 0.12 0.00 0.25 0.00 0.00 55.06 53.83 1orr s HIS 79 Cb -0.18 -4.09 -0.12 0.00 -1.18 0.00 0.00 32.58 27.02 1orr s HIS 79 CO 0.03 -1.28 0.53 1.28 -0.65 0.00 0.00 174.74 174.65 1orr n LEU 80 N 5.51 0.65 -4.68 8.88 4.77 -0.89 -3.45 117.00 127.78 1orr n LEU 80 Ca 0.19 -0.53 -0.42 0.00 -0.03 0.00 0.00 56.01 55.22 1orr n LEU 80 Cb 0.48 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 1orr n LEU 80 CO 0.44 0.15 1.35 0.00 -1.33 0.00 0.00 177.39 178.01 1orr s ALA 81 N -2.07 3.67 0.15 -1.18 0.00 -1.08 -4.69 121.76 116.56 1orr s ALA 81 Ca 0.05 1.18 -0.24 0.00 0.00 0.00 0.00 51.96 52.94 1orr s ALA 81 Cb 0.09 -3.71 0.07 0.00 0.00 0.00 0.00 23.12 19.57 1orr s ALA 81 CO 0.47 -1.18 1.01 0.20 0.00 0.00 0.00 175.76 176.25 1orr s GLY 82 N 2.70 -0.13 -0.41 0.00 0.00 -1.26 -4.86 107.32 103.36 1orr s GLY 82 Ca 0.75 0.01 -0.15 0.00 0.00 0.00 0.00 44.72 45.32 1orr s GLY 82 CO 0.33 0.74 0.31 1.62 0.00 0.00 0.00 173.10 176.10 1orr s GLN 83 N -2.86 2.98 0.07 2.90 -0.44 -1.26 -4.96 119.66 116.09 1orr s GLN 83 Ca 0.15 -1.02 0.23 0.00 -2.50 0.00 0.00 55.36 52.22 1orr s GLN 83 Cb -0.01 -3.99 -0.02 0.00 -1.64 0.00 0.00 33.01 27.34 1orr s GLN 83 CO 0.03 -0.77 0.94 0.28 0.50 0.00 0.00 175.29 176.27 1orr n VAL 84 N 5.18 0.25 -3.45 1.34 0.31 -1.26 -4.92 118.33 115.78 1orr n VAL 84 Ca -0.11 -0.36 -0.37 0.00 -0.01 0.00 0.00 64.34 63.49 1orr n VAL 84 Cb 0.47 0.04 -0.07 0.00 -0.91 0.00 0.00 33.84 33.37 1orr n VAL 84 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1orr s ALA 85 N -3.29 3.55 0.17 3.52 0.00 -1.26 -4.97 121.76 119.48 1orr s ALA 85 Ca 0.01 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 51.47 1orr s ALA 85 Cb 0.13 -2.51 0.03 0.00 0.00 0.00 0.00 23.12 20.77 1orr s ALA 85 CO 0.82 -0.02 1.53 1.98 0.00 0.00 0.00 175.76 180.07 1orr h MET 86 N 6.85 0.91 -0.61 0.00 4.05 -1.93 -0.98 114.93 123.23 1orr h MET 86 Ca -0.40 -0.43 -0.05 0.00 -0.28 0.00 0.00 59.70 58.54 1orr h MET 86 Cb 1.17 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.93 1orr h MET 86 CO 0.75 1.08 0.18 1.79 0.23 0.00 0.00 176.91 180.94 1orr h THR 87 N 0.77 1.25 -0.22 -0.77 1.35 -1.93 -1.31 112.91 112.05 1orr h THR 87 Ca 0.08 -0.86 -0.08 0.00 -0.55 0.00 0.00 66.41 65.00 1orr h THR 87 Cb 0.87 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 67.92 1orr h THR 87 CO 0.08 0.33 -0.19 0.74 -0.25 0.00 0.00 175.52 176.22 1orr h THR 88 N 0.88 1.24 -0.08 6.82 2.02 -1.90 -1.27 112.91 120.62 1orr h THR 88 Ca 0.20 -1.09 -0.05 0.00 0.77 0.00 0.00 66.41 66.24 1orr h THR 88 Cb 0.31 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1orr h THR 88 CO -0.00 0.34 -0.19 0.77 0.37 0.00 0.00 175.52 176.82 1orr h SER 89 N 0.36 0.12 0.64 4.18 4.64 -0.15 0.25 113.55 123.59 1orr h SER 89 Ca 0.06 -0.03 -0.23 0.00 -0.47 0.00 0.00 61.79 61.13 1orr h SER 89 Cb 0.55 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1orr h SER 89 CO 0.04 0.32 -1.02 0.40 -0.87 0.00 0.00 176.83 175.70 1orr h ILE 90 N 0.12 1.52 0.00 0.95 2.04 -0.39 -2.19 117.51 119.56 1orr h ILE 90 Ca 0.02 -2.88 -0.12 0.00 1.00 0.00 0.00 64.86 62.89 1orr h ILE 90 Cb 0.41 2.68 -0.02 0.00 -0.74 0.00 0.00 36.82 39.15 1orr h ILE 90 CO 0.03 0.84 -0.70 -0.78 0.00 0.00 0.00 178.15 177.54 1orr h ASP 91 N 0.09 0.00 -1.64 1.72 3.58 -0.88 -3.39 116.42 115.90 1orr h ASP 91 Ca -0.07 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 56.88 1orr h ASP 91 Cb 1.71 0.00 -0.34 0.00 1.72 0.00 0.00 39.33 42.42 1orr h ASP 91 CO 0.16 0.52 -0.98 -3.20 -2.88 0.00 0.00 179.24 172.86 1orr n ASN 92 N -3.16 -0.47 0.26 2.28 2.85 0.85 -4.96 115.26 112.91 1orr n ASN 92 Ca -0.00 -2.79 0.09 0.00 -0.11 0.00 0.00 54.58 51.76 1orr n ASN 92 Cb 0.76 -0.15 0.65 0.00 1.24 0.00 0.00 39.78 42.27 1orr n ASN 92 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1orr h PRO 93 N 4.08 0.00 0.04 1.20 0.13 -1.59 -2.60 132.00 133.27 1orr h PRO 93 Ca 0.04 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1orr h PRO 93 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1orr h PRO 93 CO 0.43 0.06 -0.02 0.00 -0.23 0.00 0.00 178.00 178.24 1orr h MET 95 N -0.23 1.07 -0.61 0.00 1.85 -1.91 0.19 114.93 115.29 1orr h MET 95 Ca -0.01 -0.14 0.02 0.00 -0.61 0.00 0.00 59.70 58.97 1orr h MET 95 Cb 0.21 -0.20 -0.04 0.00 0.43 0.00 0.00 31.60 32.00 1orr h MET 95 CO 0.01 0.82 0.38 0.22 -0.40 0.00 0.00 176.91 177.93 1orr h ASP 96 N 1.06 0.62 -0.30 1.39 1.82 -1.29 -0.31 116.42 119.41 1orr h ASP 96 Ca 0.26 -0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.88 1orr h ASP 96 Cb 0.08 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 39.94 1orr h ASP 96 CO -0.04 0.43 0.09 0.15 -1.61 0.00 0.00 179.24 178.27 1orr h PHE 97 N 0.75 0.49 -0.89 0.28 3.57 -0.47 -1.26 116.94 119.40 1orr h PHE 97 Ca 0.24 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 1orr h PHE 97 Cb 0.00 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 1orr h PHE 97 CO -0.05 0.51 0.54 0.93 -2.23 0.00 0.00 178.31 178.01 1orr h GLU 98 N 0.33 1.21 0.33 1.11 5.08 -0.50 0.14 114.58 122.28 1orr h GLU 98 Ca 0.10 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1orr h GLU 98 Cb 0.25 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1orr h GLU 98 CO -0.00 0.85 -0.16 0.82 -1.00 0.00 0.00 179.01 179.52 1orr h ILE 99 N 1.23 0.15 -0.17 3.13 2.04 -1.02 -1.12 117.51 121.74 1orr h ILE 99 Ca 0.32 -0.73 -0.07 0.00 1.00 0.00 0.00 64.86 65.38 1orr h ILE 99 Cb -0.05 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.27 1orr h ILE 99 CO -0.06 0.04 -0.17 0.78 0.00 0.00 0.00 178.15 178.74 1orr h ASN 100 N -1.09 0.43 0.00 1.72 2.35 -1.25 -2.13 115.58 115.61 1orr h ASN 100 Ca -0.05 -0.48 -0.13 0.00 -0.55 0.00 0.00 56.30 55.10 1orr h ASN 100 Cb 0.40 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1orr h ASN 100 CO 0.07 0.82 -0.78 0.58 -1.65 0.00 0.00 177.43 176.48 1orr h VAL 101 N 0.05 0.88 -0.29 2.81 2.07 -0.91 -3.21 116.25 117.66 1orr h VAL 101 Ca 0.03 -1.93 0.01 0.00 0.82 0.00 0.00 66.70 65.63 1orr h VAL 101 Cb 0.70 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 1orr h VAL 101 CO 0.04 0.30 0.17 1.23 0.02 0.00 0.00 177.57 179.33 1orr h GLY 102 N -1.00 0.39 1.00 2.17 0.00 -1.08 -1.47 103.07 103.08 1orr h GLY 102 Ca -0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1orr h GLY 102 CO -0.12 0.11 0.35 -1.33 0.00 0.00 0.00 176.54 175.56 1orr h GLY 103 N 0.34 0.87 1.04 4.60 0.00 -0.50 0.15 103.07 109.58 1orr h GLY 103 Ca 0.11 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 1orr h GLY 103 CO -0.05 0.36 0.24 -0.84 0.00 0.00 0.00 176.54 176.25 1orr h THR 104 N 0.81 1.26 -0.51 4.70 2.02 -1.52 -1.90 112.91 117.76 1orr h THR 104 Ca 0.21 -0.86 -0.06 0.00 0.77 0.00 0.00 66.41 66.47 1orr h THR 104 Cb -0.00 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1orr h THR 104 CO -0.04 0.34 0.06 -0.07 0.37 0.00 0.00 175.52 176.18 1orr h LEU 105 N 1.05 0.77 -0.23 2.58 -0.00 -0.87 0.34 115.31 118.94 1orr h LEU 105 Ca 0.23 -0.16 0.03 0.00 -0.00 0.00 0.00 57.88 57.98 1orr h LEU 105 Cb 0.28 -0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 40.70 1orr h LEU 105 CO -0.01 0.80 0.04 0.78 -0.00 0.00 0.00 178.44 180.05 1orr h ASN 106 N 0.77 -0.01 -0.15 -0.43 2.35 -0.56 0.13 115.58 117.68 1orr h ASN 106 Ca 0.16 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 1orr h ASN 106 Cb 0.38 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1orr h ASN 106 CO 0.01 0.03 0.06 0.25 -1.65 0.00 0.00 177.43 176.12 1orr h LEU 107 N 0.12 0.21 -0.64 1.61 5.85 -1.07 -1.28 115.31 120.12 1orr h LEU 107 Ca 0.11 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1orr h LEU 107 Cb 0.11 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1orr h LEU 107 CO -0.15 0.33 0.37 -0.07 -0.34 0.00 0.00 178.44 178.59 1orr h LEU 108 N 0.08 0.57 -0.51 2.25 3.38 -0.57 0.54 115.31 121.06 1orr h LEU 108 Ca 0.05 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1orr h LEU 108 Cb 0.19 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1orr h LEU 108 CO -0.00 0.39 -0.18 -0.33 0.09 0.00 0.00 178.44 178.40 1orr h GLU 109 N 0.71 1.02 -0.38 1.13 4.39 -0.72 0.71 114.58 121.43 1orr h GLU 109 Ca 0.27 -0.42 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 1orr h GLU 109 Cb 0.11 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1orr h GLU 109 CO -0.14 1.10 0.17 0.00 -1.16 0.00 0.00 179.01 178.98 1orr h ALA 110 N 0.89 0.49 -0.19 3.43 0.00 -0.68 -1.48 119.26 121.72 1orr h ALA 110 Ca 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1orr h ALA 110 Cb 0.77 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1orr h ALA 110 CO 0.06 0.07 0.07 0.28 0.00 0.00 0.00 179.25 179.74 1orr h VAL 111 N 0.47 1.16 -0.51 0.00 2.07 -0.83 -0.95 116.25 117.67 1orr h VAL 111 Ca 0.13 -0.48 0.06 0.00 0.82 0.00 0.00 66.70 67.23 1orr h VAL 111 Cb 0.15 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1orr h VAL 111 CO -0.01 0.15 0.21 -0.09 0.02 0.00 0.00 177.57 177.85 1orr h ARG 112 N 0.15 0.39 0.07 1.57 2.43 -0.72 0.15 114.38 118.42 1orr h ARG 112 Ca 0.06 -0.02 -0.24 0.00 -0.81 0.00 0.00 59.98 58.97 1orr h ARG 112 Cb 0.17 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1orr h ARG 112 CO -0.01 0.26 -1.08 1.96 -1.51 0.00 0.00 179.97 179.59 1orr h GLN 113 N 0.41 0.25 0.00 0.20 4.20 -1.19 -3.40 115.11 115.58 1orr h GLN 113 Ca 0.24 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1orr h GLN 113 Cb 0.23 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1orr h GLN 113 CO -0.22 1.12 -0.23 0.66 -0.67 0.00 0.00 178.83 179.49 1orr n TYR 114 N -3.58 0.00 -2.76 2.96 4.02 -0.37 -4.89 117.16 112.55 1orr n TYR 114 Ca -0.06 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.74 1orr n TYR 114 Cb 0.93 0.00 0.09 0.00 -0.02 0.00 0.00 39.34 40.34 1orr n TYR 114 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1orr n ASN 115 N -1.09 -1.72 0.14 7.72 5.15 -0.13 -4.96 115.26 120.37 1orr n ASN 115 Ca 0.00 -3.17 0.08 0.00 -0.60 0.00 0.00 54.58 50.89 1orr n ASN 115 Cb 0.00 1.27 0.43 0.00 -0.53 0.00 0.00 39.78 40.96 1orr n ASN 115 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1orr n SER 116 N 0.01 0.41 0.07 1.20 3.41 -0.21 -1.69 113.62 116.82 1orr n SER 116 Ca 0.05 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.43 1orr n SER 116 Cb 0.75 -0.66 0.26 0.00 -0.26 0.00 0.00 64.21 64.30 1orr n SER 116 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1orr n ASN 117 N -2.08 0.69 -4.64 4.04 3.02 -1.26 -4.60 115.26 110.44 1orr n ASN 117 Ca -0.01 0.24 -0.50 0.00 -0.03 0.00 0.00 54.58 54.28 1orr n ASN 117 Cb 0.14 -0.12 -0.05 0.00 -0.61 0.00 0.00 39.78 39.14 1orr n ASN 117 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1orr s ASN 119 N 1.07 7.13 -0.04 0.00 0.01 -0.33 -4.25 114.94 118.53 1orr s ASN 119 Ca 0.83 1.34 0.03 0.00 -0.71 0.00 0.00 52.86 54.36 1orr s ASN 119 Cb -0.83 -2.44 0.00 0.00 0.41 0.00 0.00 41.25 38.39 1orr s ASN 119 CO 0.45 0.02 -0.14 -0.63 -1.51 0.00 0.00 177.10 175.28 1orr s ILE 120 N 0.03 1.20 -0.20 0.60 1.01 0.30 0.33 121.20 124.47 1orr s ILE 120 Ca 0.37 -0.58 -0.02 0.00 0.00 0.00 0.00 60.65 60.42 1orr s ILE 120 Cb -0.20 -1.05 0.00 0.00 0.01 0.00 0.00 42.46 41.23 1orr s ILE 120 CO 0.21 0.36 -0.10 -0.63 0.00 0.00 0.00 174.94 174.77 1orr s ILE 121 N 0.17 2.92 -0.11 2.92 1.01 -0.49 -0.96 121.20 126.67 1orr s ILE 121 Ca -0.05 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 59.93 1orr s ILE 121 Cb -0.11 -2.29 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 1orr s ILE 121 CO 0.02 0.47 -0.02 -0.47 0.00 0.00 0.00 174.94 174.94 1orr s TYR 122 N 1.34 3.09 -0.74 3.97 5.04 -0.08 -1.14 117.35 128.83 1orr s TYR 122 Ca 0.04 0.02 -0.19 0.00 -2.44 0.00 0.00 57.07 54.51 1orr s TYR 122 Cb -0.14 -1.84 0.12 0.00 0.35 0.00 0.00 41.96 40.46 1orr s TYR 122 CO -0.06 0.29 0.88 -1.54 -1.34 0.00 0.00 175.55 173.78 1orr s SER 123 N -0.45 6.39 0.25 4.32 1.04 -1.22 -1.01 113.70 123.02 1orr s SER 123 Ca 0.08 -1.72 0.00 0.00 0.48 0.00 0.00 55.95 54.79 1orr s SER 123 Cb -0.12 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1orr s SER 123 CO 0.02 -1.08 0.00 -0.24 0.98 0.00 0.00 173.24 172.92 1orr n SER 124 N 6.28 0.00 -3.98 7.02 2.88 0.18 -4.95 113.62 121.04 1orr n SER 124 Ca 0.04 -0.45 -0.08 0.00 -1.33 0.00 0.00 58.87 57.06 1orr n SER 124 Cb 0.45 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.83 1orr n SER 124 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1orr s THR 125 N 0.41 0.18 -0.50 2.46 -1.32 -1.26 -2.56 115.64 113.06 1orr s THR 125 Ca 0.00 -1.47 0.23 0.00 -1.21 0.00 0.00 61.69 59.24 1orr s THR 125 Cb 0.00 -1.34 0.23 0.00 -1.51 0.00 0.00 72.50 69.88 1orr s THR 125 CO 0.00 -0.81 1.68 -0.46 -2.21 0.00 0.00 174.62 172.82 1orr n ASN 126 N 0.17 0.61 0.00 8.08 6.94 -0.80 -2.60 115.26 127.66 1orr n ASN 126 Ca -0.15 0.66 0.06 0.00 -0.02 0.00 0.00 54.58 55.13 1orr n ASN 126 Cb 0.61 -0.79 0.25 0.00 -2.36 0.00 0.00 39.78 37.50 1orr n ASN 126 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1orr n LYS 127 N -2.18 0.00 0.08 -3.83 4.76 -1.26 -2.18 118.16 113.55 1orr n LYS 127 Ca 0.02 0.31 0.10 0.00 -2.87 0.00 0.00 58.31 55.87 1orr n LYS 127 Cb 0.21 -1.51 0.43 0.00 -1.84 0.00 0.00 35.03 32.32 1orr n LYS 127 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1orr n VAL 128 N -1.52 0.82 0.74 -0.18 0.24 -1.07 -2.66 118.33 114.70 1orr n VAL 128 Ca 0.03 0.18 0.10 0.00 -2.04 0.00 0.00 64.34 62.61 1orr n VAL 128 Cb 0.14 -1.02 0.28 0.00 -1.47 0.00 0.00 33.84 31.77 1orr n VAL 128 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1orr n TYR 129 N -1.95 0.41 -4.48 6.34 4.02 -0.93 -0.74 117.16 119.84 1orr n TYR 129 Ca 0.03 -0.21 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 1orr n TYR 129 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 1orr n TYR 129 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1orr n GLY 130 N 1.29 0.01 0.16 2.72 0.00 -0.66 -3.86 105.19 104.85 1orr n GLY 130 Ca 0.17 -0.96 0.13 0.00 0.00 0.00 0.00 46.02 45.36 1orr n GLY 130 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1orr h ASP 131 N 4.84 0.00 -0.46 1.61 2.03 -1.84 -3.44 116.42 119.15 1orr h ASP 131 Ca 0.00 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.10 1orr h ASP 131 Cb 0.00 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 38.42 1orr h ASP 131 CO 0.00 0.00 -0.18 0.18 -1.03 0.00 0.00 179.24 178.21 1orr n LEU 132 N -2.63 -0.41 0.00 0.15 4.77 -1.25 -4.48 117.00 113.15 1orr n LEU 132 Ca 0.04 0.24 0.04 0.00 -0.03 0.00 0.00 56.01 56.31 1orr n LEU 132 Cb 0.44 -2.18 0.22 0.00 -2.33 0.00 0.00 43.42 39.58 1orr n LEU 132 CO 0.31 -0.80 0.58 -0.62 -1.33 0.00 0.00 177.39 175.53 1orr n GLU 133 N -1.55 0.12 0.00 3.23 -0.58 -1.26 -2.38 120.64 118.23 1orr n GLU 133 Ca -0.10 0.21 0.11 0.00 -0.42 0.00 0.00 57.16 56.96 1orr n GLU 133 Cb 0.46 -1.50 0.49 0.00 -0.57 0.00 0.00 31.44 30.33 1orr n GLU 133 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1orr n GLN 134 N -1.29 0.11 -3.00 3.49 0.00 -1.26 -4.78 117.38 110.64 1orr n GLN 134 Ca 0.04 0.11 -0.20 0.00 0.00 0.00 0.00 57.00 56.96 1orr n GLN 134 Cb 0.07 -1.50 0.06 0.00 0.00 0.00 0.00 30.24 28.87 1orr n GLN 134 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1orr s TYR 135 N -2.86 1.56 -0.05 2.61 1.51 -1.00 -5.10 117.35 114.03 1orr s TYR 135 Ca 0.14 -0.66 -0.00 0.00 -1.01 0.00 0.00 57.07 55.54 1orr s TYR 135 Cb 0.14 -2.28 -0.03 0.00 -0.11 0.00 0.00 41.96 39.68 1orr s TYR 135 CO 0.37 -1.12 0.00 0.15 -1.11 0.00 0.00 175.55 173.84 1orr s LYS 136 N -4.67 2.89 0.13 -0.62 3.01 -1.26 -5.06 119.74 114.16 1orr s LYS 136 Ca 0.61 -0.50 0.05 0.00 -1.01 0.00 0.00 55.97 55.12 1orr s LYS 136 Cb -0.06 -2.73 -0.04 0.00 -1.01 0.00 0.00 37.83 33.98 1orr s LYS 136 CO 0.39 0.67 -0.12 0.71 0.51 0.00 0.00 175.35 177.51 1orr s TYR 137 N -0.98 1.27 0.19 3.18 1.51 -1.26 -1.45 117.35 119.81 1orr s TYR 137 Ca 0.16 -0.65 0.07 0.00 -1.01 0.00 0.00 57.07 55.64 1orr s TYR 137 Cb -0.11 -0.66 -0.05 0.00 -0.11 0.00 0.00 41.96 41.03 1orr s TYR 137 CO 0.06 0.09 -0.13 -0.80 -1.11 0.00 0.00 175.55 173.66 1orr s ASN 138 N -2.72 2.38 -0.06 2.29 -0.87 0.17 -4.90 114.94 111.23 1orr s ASN 138 Ca 0.11 -1.02 0.05 0.00 -1.57 0.00 0.00 52.86 50.43 1orr s ASN 138 Cb -0.02 -0.10 -0.01 0.00 -0.02 0.00 0.00 41.25 41.10 1orr s ASN 138 CO 0.01 -0.21 -0.22 -0.70 -2.57 0.00 0.00 177.10 173.41 1orr s GLU 139 N -3.67 2.34 0.12 -0.60 2.12 -1.26 -0.21 118.70 117.53 1orr s GLU 139 Ca 0.21 -0.79 0.01 0.00 0.36 0.00 0.00 54.97 54.76 1orr s GLU 139 Cb 0.00 -1.95 0.01 0.00 0.26 0.00 0.00 34.13 32.44 1orr s GLU 139 CO 0.05 0.30 0.05 0.25 -0.54 0.00 0.00 175.26 175.37 1orr n THR 140 N 3.12 0.00 0.27 -1.70 -2.24 0.67 -4.99 114.28 109.41 1orr n THR 140 Ca -0.18 -0.52 0.16 0.00 -2.27 0.00 0.00 64.05 61.23 1orr n THR 140 Cb 0.52 -0.14 0.73 0.00 -2.10 0.00 0.00 70.33 69.34 1orr n THR 140 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1orr h GLU 141 N 0.00 0.00 0.00 -0.78 5.08 -2.03 -3.29 114.58 113.56 1orr h GLU 141 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1orr h GLU 141 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1orr h GLU 141 CO 0.14 0.07 -0.17 0.25 -1.00 0.00 0.00 179.01 178.30 1orr n THR 142 N -3.24 0.00 -3.82 1.13 -2.24 -1.26 -5.06 114.28 99.79 1orr n THR 142 Ca -0.00 -0.40 -0.06 0.00 -2.27 0.00 0.00 64.05 61.32 1orr n THR 142 Cb 0.28 0.91 -0.01 0.00 -2.10 0.00 0.00 70.33 69.42 1orr n THR 142 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1orr s ARG 143 N -1.14 1.61 0.25 -0.78 1.70 -1.24 -4.55 118.95 114.80 1orr s ARG 143 Ca 0.00 -0.94 -0.02 0.00 -0.47 0.00 0.00 55.73 54.31 1orr s ARG 143 Cb 0.00 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.85 1orr s ARG 143 CO 0.00 -0.74 0.46 0.71 -1.08 0.00 0.00 175.30 174.65 1orr s TYR 144 N -3.25 3.48 -0.00 5.89 1.51 -0.53 -0.24 117.35 124.22 1orr s TYR 144 Ca 0.13 0.43 -0.01 0.00 -1.01 0.00 0.00 57.07 56.61 1orr s TYR 144 Cb -0.04 -1.93 -0.00 0.00 -0.11 0.00 0.00 41.96 39.88 1orr s TYR 144 CO 0.06 0.29 0.02 -0.08 -1.11 0.00 0.00 175.55 174.72 1orr s THR 145 N -1.99 0.01 -0.47 -0.71 -1.32 0.71 -4.78 115.64 107.09 1orr s THR 145 Ca 0.40 -0.11 -0.18 0.00 -1.21 0.00 0.00 61.69 60.59 1orr s THR 145 Cb -0.11 -0.07 0.05 0.00 -1.51 0.00 0.00 72.50 70.86 1orr s THR 145 CO 0.30 -0.06 0.53 0.00 -2.21 0.00 0.00 174.62 173.18 1orr h VAL 147 N 5.81 1.20 -0.01 0.00 2.07 -1.60 -2.98 116.25 120.74 1orr h VAL 147 Ca -0.27 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1orr h VAL 147 Cb 1.10 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1orr h VAL 147 CO 0.90 0.28 -0.18 -0.90 0.02 0.00 0.00 177.57 177.69 1orr n ASP 148 N -4.23 1.67 -3.15 0.57 5.68 -1.25 -4.36 116.55 111.49 1orr n ASP 148 Ca -0.01 -1.37 -0.22 0.00 -0.50 0.00 0.00 54.79 52.69 1orr n ASP 148 Cb 0.30 0.13 -0.04 0.00 -1.14 0.00 0.00 41.12 40.37 1orr n ASP 148 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1orr n LYS 149 N 0.04 1.61 0.17 0.11 4.76 -1.13 -4.93 118.16 118.79 1orr n LYS 149 Ca 0.14 -3.82 0.16 0.00 -2.87 0.00 0.00 58.31 51.92 1orr n LYS 149 Cb 0.41 -1.80 0.76 0.00 -1.84 0.00 0.00 35.03 32.57 1orr n LYS 149 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1orr h PRO 150 N 3.27 0.00 -0.60 1.97 0.13 -1.75 -1.20 132.00 133.81 1orr h PRO 150 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1orr h PRO 150 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1orr h PRO 150 CO 0.60 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.46 1orr n ASN 151 N -4.08 4.08 0.00 1.44 3.02 -1.26 -4.94 115.26 113.52 1orr n ASN 151 Ca 0.03 -2.24 0.00 0.00 -0.03 0.00 0.00 54.58 52.33 1orr n ASN 151 Cb 0.34 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 1orr n ASN 151 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1orr n GLY 152 N 1.08 -2.58 3.74 7.41 0.00 -0.46 -3.75 105.19 110.64 1orr n GLY 152 Ca 0.22 -1.90 -0.36 0.00 0.00 0.00 0.00 46.02 43.98 1orr n GLY 152 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1orr s TYR 153 N -0.39 3.34 0.27 1.61 1.51 0.42 -4.55 117.35 119.56 1orr s TYR 153 Ca 0.00 0.29 0.04 0.00 -1.01 0.00 0.00 57.07 56.39 1orr s TYR 153 Cb 0.00 -1.92 0.04 0.00 -0.11 0.00 0.00 41.96 39.97 1orr s TYR 153 CO 0.00 0.49 0.32 -0.40 -1.11 0.00 0.00 175.55 174.85 1orr n ASP 154 N 2.43 1.27 0.00 2.29 5.68 -1.26 -0.89 116.55 126.06 1orr n ASP 154 Ca -0.19 -1.78 0.10 0.00 -0.50 0.00 0.00 54.79 52.42 1orr n ASP 154 Cb 0.54 -0.14 0.51 0.00 -1.14 0.00 0.00 41.12 40.88 1orr n ASP 154 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1orr n GLU 155 N -1.44 0.32 0.00 0.11 4.71 -1.26 -2.42 120.64 120.66 1orr n GLU 155 Ca 0.05 0.09 0.14 0.00 -0.01 0.00 0.00 57.16 57.43 1orr n GLU 155 Cb 0.29 -1.50 0.53 0.00 -1.01 0.00 0.00 31.44 29.75 1orr n GLU 155 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1orr n SER 156 N -1.25 0.56 -4.77 1.62 3.41 -1.26 -4.89 113.62 107.05 1orr n SER 156 Ca 0.10 -0.55 -0.40 0.00 -0.26 0.00 0.00 58.87 57.76 1orr n SER 156 Cb 0.14 -0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1orr n SER 156 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1orr s THR 157 N -2.56 2.51 0.28 6.66 2.01 -1.01 -4.92 115.64 118.60 1orr s THR 157 Ca 0.25 0.47 -0.30 0.00 0.31 0.00 0.00 61.69 62.43 1orr s THR 157 Cb 0.20 -3.28 -0.11 0.00 0.01 0.00 0.00 72.50 69.32 1orr s THR 157 CO 0.51 0.08 1.50 -1.58 -0.69 0.00 0.00 174.62 174.44 1orr s GLN 158 N -2.16 4.20 0.21 4.92 2.00 -1.26 -4.99 119.66 122.58 1orr s GLN 158 Ca 0.55 2.44 -0.30 0.00 -2.00 0.00 0.00 55.36 56.05 1orr s GLN 158 Cb -0.40 -3.06 -0.08 0.00 0.80 0.00 0.00 33.01 30.27 1orr s GLN 158 CO 0.52 -0.51 0.95 -0.51 -0.50 0.00 0.00 175.29 175.25 1orr s LEU 159 N -0.67 4.61 -0.37 3.68 1.43 -1.26 -4.62 118.68 121.48 1orr s LEU 159 Ca 0.60 1.93 0.04 0.00 -1.03 0.00 0.00 54.13 55.67 1orr s LEU 159 Cb -0.45 -3.61 0.18 0.00 0.03 0.00 0.00 46.19 42.35 1orr s LEU 159 CO 0.48 0.10 0.71 -0.62 0.23 0.00 0.00 176.35 177.25 1orr s ASP 160 N -0.92 -1.31 -0.13 2.29 2.15 0.08 -4.99 116.67 113.84 1orr s ASP 160 Ca 0.42 -0.50 -0.29 0.00 0.43 0.00 0.00 52.55 52.61 1orr s ASP 160 Cb -0.26 1.70 -0.04 0.00 -0.30 0.00 0.00 42.92 44.03 1orr s ASP 160 CO 0.32 -0.16 1.57 -0.36 -0.17 0.00 0.00 175.17 176.36 1orr s PHE 161 N 2.07 2.19 -0.08 -5.34 2.99 -1.25 -1.65 117.98 116.91 1orr s PHE 161 Ca 0.15 0.47 0.04 0.00 0.00 0.00 0.00 56.93 57.59 1orr s PHE 161 Cb -0.04 -3.85 -0.01 0.00 0.00 0.00 0.00 43.02 39.12 1orr s PHE 161 CO -0.12 -3.14 -0.20 -1.01 -0.00 0.00 0.00 175.22 170.75 1orr s HIS 162 N 4.31 2.59 0.00 0.36 3.76 -1.24 -4.66 115.29 120.41 1orr s HIS 162 Ca 0.69 -0.63 0.00 0.00 -0.15 0.00 0.00 55.06 54.97 1orr s HIS 162 Cb -0.28 -1.68 0.00 0.00 1.11 0.00 0.00 32.58 31.73 1orr s HIS 162 CO 0.26 -0.16 0.00 -1.13 -0.85 0.00 0.00 174.74 172.87 1orr n SER 163 N 3.02 0.00 0.02 1.40 3.41 -1.26 -3.37 113.62 116.84 1orr n SER 163 Ca -0.18 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.42 1orr n SER 163 Cb 0.52 0.32 0.26 0.00 -0.26 0.00 0.00 64.21 65.05 1orr n SER 163 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1orr h PRO 164 N 0.00 0.47 -0.53 4.33 0.11 -1.90 0.11 132.00 134.59 1orr h PRO 164 Ca 0.00 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1orr h PRO 164 Cb 0.00 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.03 1orr h PRO 164 CO 0.00 0.61 0.35 -0.92 -0.21 0.00 0.00 178.00 177.82 1orr h TYR 165 N 0.44 0.67 -0.85 0.65 3.20 -1.85 0.33 116.97 119.56 1orr h TYR 165 Ca 0.08 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 1orr h TYR 165 Cb 0.50 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.51 1orr h TYR 165 CO 0.02 0.42 0.41 0.78 -1.64 0.00 0.00 178.16 178.15 1orr h GLY 166 N 0.72 1.30 1.44 1.82 0.00 -1.35 -0.27 103.07 106.73 1orr h GLY 166 Ca 0.19 -0.65 -0.15 0.00 0.00 0.00 0.00 47.33 46.72 1orr h GLY 166 CO -0.04 0.61 -0.49 0.00 0.00 0.00 0.00 176.54 176.62 1orr h SER 168 N 0.47 0.70 -0.55 0.00 4.64 -0.03 -1.80 113.55 116.98 1orr h SER 168 Ca 0.02 -0.73 -0.09 0.00 -0.47 0.00 0.00 61.79 60.52 1orr h SER 168 Cb 1.03 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.88 1orr h SER 168 CO 0.10 1.34 0.00 0.11 -0.87 0.00 0.00 176.83 177.51 1orr h LYS 169 N 0.13 0.98 -0.74 4.77 1.79 -1.10 -2.18 116.57 120.21 1orr h LYS 169 Ca -0.09 -0.31 -0.06 0.00 -2.18 0.00 0.00 60.65 58.01 1orr h LYS 169 Cb 1.44 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.97 1orr h LYS 169 CO 0.15 0.98 0.22 0.78 -1.08 0.00 0.00 179.45 180.50 1orr h GLY 170 N 0.86 1.25 0.97 3.86 0.00 -0.64 0.00 103.07 109.37 1orr h GLY 170 Ca 0.16 -0.75 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 1orr h GLY 170 CO 0.03 0.71 0.22 0.00 0.00 0.00 0.00 176.54 177.49 1orr h ALA 171 N 1.12 0.67 -0.45 3.60 0.00 -1.19 -1.14 119.26 121.86 1orr h ALA 171 Ca 0.24 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1orr h ALA 171 Cb 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1orr h ALA 171 CO -0.00 0.26 0.27 0.00 0.00 0.00 0.00 179.25 179.78 1orr h ALA 172 N 1.06 0.58 -0.26 0.00 0.00 -1.15 -0.83 119.26 118.66 1orr h ALA 172 Ca 0.17 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1orr h ALA 172 Cb 0.17 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1orr h ALA 172 CO -0.02 0.07 -0.05 0.22 0.00 0.00 0.00 179.25 179.48 1orr h ASP 173 N 0.60 -0.20 -0.68 0.00 1.82 -0.72 0.64 116.42 117.87 1orr h ASP 173 Ca 0.16 0.07 -0.07 0.00 -0.39 0.00 0.00 57.03 56.80 1orr h ASP 173 Cb 0.01 0.14 -0.03 0.00 0.68 0.00 0.00 39.33 40.13 1orr h ASP 173 CO -0.03 -0.07 0.16 1.56 -1.61 0.00 0.00 179.24 179.25 1orr h GLN 174 N 0.02 1.10 -0.68 0.28 1.08 -0.90 -1.91 115.11 114.11 1orr h GLN 174 Ca 0.12 -0.26 -0.04 0.00 -1.45 0.00 0.00 58.65 57.02 1orr h GLN 174 Cb 0.18 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 1orr h GLN 174 CO -0.25 0.98 0.28 1.88 -0.95 0.00 0.00 178.83 180.76 1orr h TYR 175 N 1.04 1.01 -0.22 2.96 -1.99 -0.58 0.31 116.97 119.51 1orr h TYR 175 Ca 0.22 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.88 1orr h TYR 175 Cb 0.38 -0.31 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 1orr h TYR 175 CO 0.03 0.77 0.14 0.52 -0.00 0.00 0.00 178.16 179.62 1orr h MET 176 N 0.98 0.28 -0.24 4.88 2.86 -0.40 0.96 114.93 124.26 1orr h MET 176 Ca 0.23 -0.02 -0.13 0.00 -2.06 0.00 0.00 59.70 57.73 1orr h MET 176 Cb 0.18 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1orr h MET 176 CO -0.02 0.19 -0.39 -0.07 1.06 0.00 0.00 176.91 177.68 1orr h LEU 177 N 0.29 0.58 -0.88 1.22 3.38 -1.07 -3.07 115.31 115.77 1orr h LEU 177 Ca 0.08 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 1orr h LEU 177 Cb -0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1orr h LEU 177 CO -0.02 0.91 -0.43 -0.78 0.09 0.00 0.00 178.44 178.21 1orr h ASP 178 N 0.46 0.28 0.32 -0.43 3.58 -0.51 -2.70 116.42 117.42 1orr h ASP 178 Ca 0.04 -0.12 -0.06 0.00 0.42 0.00 0.00 57.03 57.31 1orr h ASP 178 Cb 0.88 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 1orr h ASP 178 CO 0.08 0.69 -0.28 1.88 -2.88 0.00 0.00 179.24 178.73 1orr h TYR 179 N 0.22 0.00 -0.29 0.28 -1.99 -0.73 0.19 116.97 114.65 1orr h TYR 179 Ca 0.02 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.67 1orr h TYR 179 Cb 0.86 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.58 1orr h TYR 179 CO 0.02 0.28 -0.13 0.00 -0.00 0.00 0.00 178.16 178.32 1orr h ALA 180 N 1.72 0.41 0.25 3.88 0.00 -1.43 -0.94 119.26 123.16 1orr h ALA 180 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1orr h ALA 180 Cb 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1orr h ALA 180 CO 0.04 0.29 -0.12 0.00 0.00 0.00 0.00 179.25 179.45 1orr h ARG 181 N 0.36 -0.33 0.05 0.00 3.08 -1.29 -1.14 114.38 115.11 1orr h ARG 181 Ca 0.07 0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 1orr h ARG 181 Cb 0.65 0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.78 1orr h ARG 181 CO 0.04 -0.00 -0.38 0.82 -1.07 0.00 0.00 179.97 179.38 1orr h ILE 182 N -0.69 1.61 -0.31 2.04 1.08 -0.75 -3.37 117.51 117.12 1orr h ILE 182 Ca -0.03 -2.28 0.00 0.00 -0.39 0.00 0.00 64.86 62.15 1orr h ILE 182 Cb 0.48 3.11 0.00 0.00 -3.07 0.00 0.00 36.82 37.34 1orr h ILE 182 CO 0.06 0.62 0.00 0.49 -0.69 0.00 0.00 178.15 178.63 1orr n PHE 183 N -4.40 0.40 -1.41 1.37 3.01 -0.42 -4.98 117.46 111.04 1orr n PHE 183 Ca -0.11 -0.24 -0.12 0.00 1.01 0.00 0.00 57.45 57.98 1orr n PHE 183 Cb 0.61 -0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.03 1orr n PHE 183 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1orr n GLY 184 N 1.22 1.26 3.80 1.37 0.00 -0.43 -4.94 105.19 107.48 1orr n GLY 184 Ca 0.16 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 1orr n GLY 184 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1orr s LEU 185 N -2.88 3.36 -1.14 0.99 1.43 -0.88 -4.92 118.68 114.65 1orr s LEU 185 Ca 0.00 1.77 -0.09 0.00 -1.03 0.00 0.00 54.13 54.78 1orr s LEU 185 Cb 0.00 -4.52 0.26 0.00 0.03 0.00 0.00 46.19 41.96 1orr s LEU 185 CO 0.00 -1.31 1.27 0.59 0.23 0.00 0.00 176.35 177.13 1orr n ASN 186 N -2.44 5.59 -4.79 2.29 3.02 -1.26 -4.12 115.26 113.55 1orr n ASN 186 Ca 0.08 -3.09 -0.28 0.00 -0.03 0.00 0.00 54.58 51.27 1orr n ASN 186 Cb 0.53 -1.41 -0.06 0.00 -0.61 0.00 0.00 39.78 38.24 1orr n ASN 186 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1orr s THR 187 N -0.90 4.47 -0.03 3.41 -4.23 -1.26 -0.54 115.64 116.57 1orr s THR 187 Ca 0.34 -1.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.84 1orr s THR 187 Cb -0.06 -3.24 0.02 0.00 1.34 0.00 0.00 72.50 70.56 1orr s THR 187 CO -0.03 -0.04 0.06 -0.69 -0.54 0.00 0.00 174.62 173.38 1orr s VAL 188 N -1.64 -0.03 -0.11 2.29 1.01 -0.13 0.51 120.40 122.31 1orr s VAL 188 Ca 0.30 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.41 1orr s VAL 188 Cb -0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.14 1orr s VAL 188 CO 0.23 0.05 -0.14 -0.69 0.00 0.00 0.00 175.10 174.54 1orr s VAL 189 N 0.63 2.97 -0.23 2.92 1.01 -0.38 -0.90 120.40 126.43 1orr s VAL 189 Ca -0.05 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 1orr s VAL 189 Cb -0.07 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1orr s VAL 189 CO -0.02 0.54 -0.05 -0.36 0.00 0.00 0.00 175.10 175.21 1orr s PHE 190 N 0.09 2.97 -0.70 5.22 2.99 -0.18 -1.32 117.98 127.04 1orr s PHE 190 Ca -0.06 -1.11 -0.20 0.00 0.00 0.00 0.00 56.93 55.57 1orr s PHE 190 Cb -0.15 -2.09 0.11 0.00 0.00 0.00 0.00 43.02 40.89 1orr s PHE 190 CO 0.05 -0.60 0.87 1.03 -0.00 0.00 0.00 175.22 176.57 1orr s ARG 191 N 1.44 3.22 0.12 0.44 0.52 0.33 0.47 118.95 125.50 1orr s ARG 191 Ca 0.05 -1.37 -0.20 0.00 -0.52 0.00 0.00 55.73 53.69 1orr s ARG 191 Cb -0.15 -4.41 -0.07 0.00 0.52 0.00 0.00 34.95 30.84 1orr s ARG 191 CO -0.04 -1.65 0.64 -1.01 0.02 0.00 0.00 175.30 173.25 1orr s HIS 192 N 2.89 3.79 0.53 -0.53 3.76 -1.06 -0.73 115.29 123.95 1orr s HIS 192 Ca 0.20 1.36 0.03 0.00 -0.15 0.00 0.00 55.06 56.49 1orr s HIS 192 Cb -0.17 -2.57 0.10 0.00 1.11 0.00 0.00 32.58 31.06 1orr s HIS 192 CO 0.03 0.53 0.73 0.45 -0.85 0.00 0.00 174.74 175.63 1orr n SER 193 N 1.48 1.30 -4.62 1.40 2.88 -0.12 -1.90 113.62 114.04 1orr n SER 193 Ca -0.08 -2.02 -0.48 0.00 -1.33 0.00 0.00 58.87 54.96 1orr n SER 193 Cb 0.50 -0.45 -0.04 0.00 -0.75 0.00 0.00 64.21 63.48 1orr n SER 193 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1orr n SER 194 N -2.75 2.03 -4.33 -3.46 7.64 -1.24 -4.87 113.62 106.64 1orr n SER 194 Ca 0.13 1.13 -0.27 0.00 1.01 0.00 0.00 58.87 60.87 1orr n SER 194 Cb 0.47 -1.30 -0.13 0.00 -1.01 0.00 0.00 64.21 62.24 1orr n SER 194 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1orr s MET 195 N -0.03 1.40 0.19 1.43 -1.94 -1.26 -1.14 119.30 117.95 1orr s MET 195 Ca 0.75 -1.19 -0.16 0.00 -1.71 0.00 0.00 55.69 53.38 1orr s MET 195 Cb -0.79 -1.71 0.02 0.00 2.01 0.00 0.00 34.83 34.36 1orr s MET 195 CO 0.48 0.42 0.49 1.52 -0.01 0.00 0.00 175.02 177.92 1orr s TYR 196 N -1.00 -0.06 -5.00 -0.03 -0.85 -0.75 -4.90 117.35 104.76 1orr s TYR 196 Ca 0.10 -0.29 0.00 0.00 -0.52 0.00 0.00 57.07 56.36 1orr s TYR 196 Cb -0.10 0.34 0.00 0.00 0.38 0.00 0.00 41.96 42.58 1orr s TYR 196 CO 0.04 -0.89 0.00 0.41 -1.52 0.00 0.00 175.55 173.59 1orr n GLY 197 N -0.33 -0.59 3.71 5.49 0.00 -1.26 -0.68 105.19 111.54 1orr n GLY 197 Ca -0.10 -1.63 -0.33 0.00 0.00 0.00 0.00 46.02 43.97 1orr n GLY 197 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1orr s GLY 198 N 0.00 2.05 0.00 -0.02 0.00 -1.26 -2.97 107.32 105.12 1orr s GLY 198 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.42 1orr s GLY 198 CO 0.00 1.10 0.00 0.54 0.00 0.00 0.00 173.10 174.74 1orr n ARG 199 N -3.28 -0.15 -3.62 2.90 5.12 -1.26 -4.89 116.66 111.46 1orr n ARG 199 Ca 0.12 0.04 -0.37 0.00 -1.93 0.00 0.00 57.85 55.71 1orr n ARG 199 Cb 0.51 -3.06 -0.10 0.00 -1.16 0.00 0.00 32.46 28.64 1orr n ARG 199 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1orr s GLN 200 N -0.24 4.00 -0.92 5.56 0.74 -1.16 -4.14 119.66 123.50 1orr s GLN 200 Ca 0.00 -0.30 -0.07 0.00 0.05 0.00 0.00 55.36 55.03 1orr s GLN 200 Cb 0.00 -3.60 0.23 0.00 1.10 0.00 0.00 33.01 30.74 1orr s GLN 200 CO 0.00 -0.08 0.85 -0.06 -0.55 0.00 0.00 175.29 175.45 1orr s PHE 201 N 1.46 3.93 0.65 1.67 0.40 -1.26 -4.98 117.98 119.85 1orr s PHE 201 Ca 0.07 -2.62 -0.17 0.00 -0.60 0.00 0.00 56.93 53.61 1orr s PHE 201 Cb -0.15 -3.58 -0.01 0.00 0.51 0.00 0.00 43.02 39.79 1orr s PHE 201 CO 0.08 -0.89 1.20 0.00 0.70 0.00 0.00 175.22 176.31 1orr s ALA 202 N -0.78 2.39 0.31 5.36 0.00 -1.26 -4.94 121.76 122.84 1orr s ALA 202 Ca 0.25 0.91 0.03 0.00 0.00 0.00 0.00 51.96 53.15 1orr s ALA 202 Cb -0.11 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 1orr s ALA 202 CO -0.09 -1.42 0.10 0.95 0.00 0.00 0.00 175.76 175.31 1orr s THR 203 N -1.81 0.69 0.28 0.00 -4.23 -0.59 -4.84 115.64 105.14 1orr s THR 203 Ca 0.75 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.29 1orr s THR 203 Cb -0.29 -2.61 0.28 0.00 1.34 0.00 0.00 72.50 71.22 1orr s THR 203 CO 0.38 0.00 1.77 0.22 -0.54 0.00 0.00 174.62 176.45 1orr h TYR 204 N 2.17 0.93 0.00 3.99 3.20 -1.97 -2.67 116.97 122.62 1orr h TYR 204 Ca -0.37 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.53 1orr h TYR 204 Cb 1.25 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.25 1orr h TYR 204 CO 0.79 0.21 -0.40 -0.25 -1.64 0.00 0.00 178.16 176.86 1orr n ASP 205 N -4.81 0.71 -3.68 -2.11 8.00 -1.26 -4.92 116.55 108.47 1orr n ASP 205 Ca 0.20 0.26 -0.09 0.00 0.71 0.00 0.00 54.79 55.87 1orr n ASP 205 Cb 0.51 -0.16 -0.10 0.00 -0.02 0.00 0.00 41.12 41.36 1orr n ASP 205 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1orr s GLN 206 N -3.13 0.49 0.00 -1.24 -2.07 -1.01 -4.55 119.66 108.15 1orr s GLN 206 Ca 0.08 0.94 0.00 0.00 -1.82 0.00 0.00 55.36 54.56 1orr s GLN 206 Cb 0.13 0.04 0.00 0.00 -1.09 0.00 0.00 33.01 32.10 1orr s GLN 206 CO 0.68 -0.16 0.00 0.41 -1.32 0.00 0.00 175.29 174.90 1orr n GLY 207 N 4.32 -0.04 0.27 2.60 0.00 -1.26 -1.55 105.19 109.53 1orr n GLY 207 Ca -0.22 -0.34 -0.05 0.00 0.00 0.00 0.00 46.02 45.41 1orr n GLY 207 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1orr h TRP 208 N 0.00 0.85 0.20 1.61 5.08 -1.91 0.17 115.95 121.95 1orr h TRP 208 Ca 0.00 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.99 1orr h TRP 208 Cb 0.52 -0.29 -0.02 0.00 -3.00 0.00 0.00 29.16 26.38 1orr h TRP 208 CO 0.00 0.53 -0.20 0.28 -1.28 0.00 0.00 178.44 177.77 1orr h VAL 209 N 0.92 0.56 -0.78 0.12 2.07 -1.94 -1.47 116.25 115.73 1orr h VAL 209 Ca 0.25 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.76 1orr h VAL 209 Cb -0.10 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 1orr h VAL 209 CO -0.06 0.00 0.45 1.23 0.02 0.00 0.00 177.57 179.21 1orr h GLY 210 N -0.43 1.14 0.99 2.17 0.00 -1.88 -0.90 103.07 104.16 1orr h GLY 210 Ca 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 1orr h GLY 210 CO -0.05 0.47 -0.02 -0.25 0.00 0.00 0.00 176.54 176.69 1orr h TRP 211 N 1.08 -0.06 0.00 5.60 2.91 -0.28 -0.17 115.95 125.03 1orr h TRP 211 Ca 0.28 -0.00 -0.07 0.00 1.13 0.00 0.00 58.89 60.23 1orr h TRP 211 Cb -0.01 0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 28.65 1orr h TRP 211 CO 0.01 -0.04 -0.32 0.74 -1.03 0.00 0.00 178.44 177.80 1orr h PHE 212 N -0.06 0.00 -0.41 2.65 -1.00 -1.02 -0.11 116.94 116.98 1orr h PHE 212 Ca -0.01 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.66 1orr h PHE 212 Cb 0.05 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 1orr h PHE 212 CO -0.08 0.32 -0.21 0.00 -1.61 0.00 0.00 178.31 176.73 1orr h GLN 214 N 0.70 1.20 -0.76 0.00 5.75 -0.07 -0.80 115.11 121.14 1orr h GLN 214 Ca 0.10 -0.21 0.02 0.00 -0.15 0.00 0.00 58.65 58.40 1orr h GLN 214 Cb 0.72 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 29.03 1orr h GLN 214 CO 0.06 0.97 0.50 0.87 -2.65 0.00 0.00 178.83 178.57 1orr h LYS 215 N 1.18 0.97 -0.74 1.69 1.79 -0.49 -1.61 116.57 119.35 1orr h LYS 215 Ca 0.27 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.65 1orr h LYS 215 Cb 0.21 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 30.61 1orr h LYS 215 CO -0.02 0.64 0.33 0.00 -1.08 0.00 0.00 179.45 179.32 1orr h ALA 216 N 1.29 0.96 -0.22 3.86 0.00 -0.25 -1.90 119.26 123.00 1orr h ALA 216 Ca 0.29 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1orr h ALA 216 Cb -0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1orr h ALA 216 CO -0.08 0.55 0.13 0.28 0.00 0.00 0.00 179.25 180.13 1orr h VAL 217 N 1.05 1.08 -0.11 0.00 2.07 -0.83 0.24 116.25 119.77 1orr h VAL 217 Ca 0.25 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.60 1orr h VAL 217 Cb 0.16 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1orr h VAL 217 CO -0.03 0.08 -0.08 -0.33 0.02 0.00 0.00 177.57 177.23 1orr h GLU 218 N 0.27 -0.09 -0.62 1.57 5.08 -1.01 0.31 114.58 120.09 1orr h GLU 218 Ca 0.08 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1orr h GLU 218 Cb 0.01 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1orr h GLU 218 CO -0.02 -0.06 0.37 0.82 -1.00 0.00 0.00 179.01 179.13 1orr h ILE 219 N -0.09 1.06 -0.43 3.13 2.04 -1.10 1.07 117.51 123.19 1orr h ILE 219 Ca 0.07 -0.25 0.07 0.00 1.00 0.00 0.00 64.86 65.75 1orr h ILE 219 Cb 0.20 0.26 -0.06 0.00 -0.74 0.00 0.00 36.82 36.48 1orr h ILE 219 CO -0.16 0.13 0.04 0.50 0.00 0.00 0.00 178.15 178.66 1orr h LYS 220 N 0.73 0.15 -0.49 2.37 1.63 0.26 0.11 116.57 121.34 1orr h LYS 220 Ca 0.25 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 1orr h LYS 220 Cb 0.04 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1orr h LYS 220 CO -0.11 0.10 0.00 0.09 -3.45 0.00 0.00 179.45 176.08 1orr n ASN 221 N -5.16 0.49 0.00 4.20 3.02 0.10 -4.78 115.26 113.13 1orr n ASN 221 Ca 0.04 -1.77 0.00 0.00 -0.03 0.00 0.00 54.58 52.81 1orr n ASN 221 Cb 0.22 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1orr n ASN 221 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1orr n GLY 222 N 0.20 0.38 3.76 7.41 0.00 0.38 -5.00 105.19 112.33 1orr n GLY 222 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1orr n GLY 222 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1orr s ILE 223 N -1.87 3.96 -0.23 -0.61 1.09 0.36 -4.94 121.20 118.96 1orr s ILE 223 Ca 0.00 1.86 0.01 0.00 -1.10 0.00 0.00 60.65 61.42 1orr s ILE 223 Cb 0.00 -4.14 0.06 0.00 -1.06 0.00 0.00 42.46 37.32 1orr s ILE 223 CO 0.00 0.36 -0.07 0.54 -0.10 0.00 0.00 174.94 175.67 1orr s ASN 224 N -1.24 3.80 -0.38 3.58 4.22 -1.26 -3.45 114.94 120.20 1orr s ASN 224 Ca 0.45 -1.12 0.11 0.00 -2.14 0.00 0.00 52.86 50.16 1orr s ASN 224 Cb -0.25 -1.23 0.35 0.00 1.28 0.00 0.00 41.25 41.39 1orr s ASN 224 CO 0.32 -0.21 0.80 0.29 -2.04 0.00 0.00 177.10 176.26 1orr n LYS 225 N 4.65 0.98 -1.24 3.55 5.02 -1.26 -5.12 118.16 124.74 1orr n LYS 225 Ca -0.13 -3.15 -0.41 0.00 -2.02 0.00 0.00 58.31 52.60 1orr n LYS 225 Cb 0.44 -1.59 -0.01 0.00 -0.02 0.00 0.00 35.03 33.85 1orr n LYS 225 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1orr n PRO 226 N 0.28 0.00 -4.54 1.97 -0.02 -1.26 -4.95 135.00 126.48 1orr n PRO 226 Ca 0.22 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.43 1orr n PRO 226 Cb 0.67 -0.94 -0.08 0.00 -0.02 0.00 0.00 33.50 33.13 1orr n PRO 226 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1orr s PHE 227 N -1.41 1.79 0.28 6.00 -0.12 -1.26 -5.08 117.98 118.17 1orr s PHE 227 Ca 0.57 -1.28 0.03 0.00 -0.05 0.00 0.00 56.93 56.20 1orr s PHE 227 Cb -0.67 -1.20 -0.06 0.00 -0.63 0.00 0.00 43.02 40.47 1orr s PHE 227 CO 0.57 -0.27 0.04 0.95 -0.05 0.00 0.00 175.22 176.47 1orr s THR 228 N -3.16 1.00 0.06 -4.49 -4.23 -1.26 -2.03 115.64 101.52 1orr s THR 228 Ca 0.21 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.75 1orr s THR 228 Cb 0.02 -2.60 -0.03 0.00 1.34 0.00 0.00 72.50 71.23 1orr s THR 228 CO 0.13 -0.11 -0.12 0.27 -0.54 0.00 0.00 174.62 174.25 1orr s ILE 229 N -3.44 0.91 -0.38 2.99 -4.36 -0.88 -4.92 121.20 111.11 1orr s ILE 229 Ca 0.34 -1.20 -0.15 0.00 -0.26 0.00 0.00 60.65 59.38 1orr s ILE 229 Cb 0.07 -0.90 0.01 0.00 1.25 0.00 0.00 42.46 42.89 1orr s ILE 229 CO 0.13 -0.26 0.35 -0.44 0.24 0.00 0.00 174.94 174.95 1orr s SER 230 N -1.63 6.15 0.00 4.36 0.01 -1.26 -0.78 113.70 120.54 1orr s SER 230 Ca -0.04 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1orr s SER 230 Cb -0.10 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 63.95 1orr s SER 230 CO 0.02 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.85 1orr n GLY 231 N 5.08 -1.71 0.19 3.44 0.00 -0.28 -4.49 105.19 107.41 1orr n GLY 231 Ca -0.10 -1.86 0.14 0.00 0.00 0.00 0.00 46.02 44.21 1orr n GLY 231 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1orr n ASN 232 N 0.01 0.74 0.00 1.61 0.23 -1.26 -4.46 115.26 112.14 1orr n ASN 232 Ca 0.00 -0.76 0.00 0.00 -0.53 0.00 0.00 54.58 53.29 1orr n ASN 232 Cb 0.00 0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 1orr n ASN 232 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1orr n GLY 233 N 1.29 0.88 0.04 4.83 0.00 -1.26 -4.89 105.19 106.08 1orr n GLY 233 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1orr n GLY 233 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1orr n LYS 234 N -2.01 0.18 -1.84 1.61 5.02 -1.26 -2.03 118.16 117.83 1orr n LYS 234 Ca 0.00 -0.07 -0.40 0.00 -2.02 0.00 0.00 58.31 55.82 1orr n LYS 234 Cb 0.00 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.52 1orr n LYS 234 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1orr s GLN 235 N -2.87 3.89 0.15 1.97 0.00 -1.26 -1.45 119.66 120.09 1orr s GLN 235 Ca 0.16 2.44 0.10 0.00 -0.00 0.00 0.00 55.36 58.07 1orr s GLN 235 Cb 0.19 -2.80 -0.04 0.00 0.00 0.00 0.00 33.01 30.36 1orr s GLN 235 CO 0.60 -0.66 -0.22 0.08 0.00 0.00 0.00 175.29 175.09 1orr s VAL 236 N -1.17 2.52 -0.04 3.63 1.01 0.12 -3.36 120.40 123.11 1orr s VAL 236 Ca 0.57 -1.76 -0.05 0.00 0.00 0.00 0.00 61.98 60.74 1orr s VAL 236 Cb -0.44 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 33.78 1orr s VAL 236 CO 0.58 0.02 0.13 -0.13 0.00 0.00 0.00 175.10 175.70 1orr s ARG 237 N -2.32 0.22 0.35 2.72 1.81 -0.69 -1.03 118.95 120.01 1orr s ARG 237 Ca 0.18 0.05 -0.22 0.00 -1.72 0.00 0.00 55.73 54.02 1orr s ARG 237 Cb -0.09 0.10 -0.10 0.00 -0.45 0.00 0.00 34.95 34.41 1orr s ARG 237 CO 0.09 -0.04 0.90 0.16 -0.68 0.00 0.00 175.30 175.73 1orr s ASP 238 N -0.25 7.11 -0.06 0.23 -4.77 -0.79 -0.87 116.67 117.27 1orr s ASP 238 Ca -0.03 1.68 0.05 0.00 -3.30 0.00 0.00 52.55 50.95 1orr s ASP 238 Cb -0.02 -2.52 -0.01 0.00 -1.09 0.00 0.00 42.92 39.27 1orr s ASP 238 CO 0.00 -0.17 -0.23 0.68 0.70 0.00 0.00 175.17 176.15 1orr s VAL 239 N -1.84 2.24 -0.15 2.11 -7.23 -0.76 -3.69 120.40 111.09 1orr s VAL 239 Ca 0.54 -1.00 0.01 0.00 -1.81 0.00 0.00 61.98 59.72 1orr s VAL 239 Cb -0.14 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 34.97 1orr s VAL 239 CO 0.19 0.57 -0.18 -0.22 -0.31 0.00 0.00 175.10 175.15 1orr s LEU 240 N -0.18 2.31 0.35 1.32 2.96 -0.29 -3.86 118.68 121.29 1orr s LEU 240 Ca -0.03 -0.53 -0.25 0.00 -0.22 0.00 0.00 54.13 53.10 1orr s LEU 240 Cb -0.14 -1.51 -0.10 0.00 0.50 0.00 0.00 46.19 44.94 1orr s LEU 240 CO 0.04 0.08 0.96 -2.28 -1.32 0.00 0.00 176.35 173.83 1orr s HIS 241 N 0.80 3.58 0.37 5.38 5.65 -1.26 -1.82 115.29 128.00 1orr s HIS 241 Ca -0.06 1.74 0.18 0.00 0.25 0.00 0.00 55.06 57.17 1orr s HIS 241 Cb -0.15 -2.93 1.16 0.00 -1.18 0.00 0.00 32.58 29.47 1orr s HIS 241 CO -0.01 0.07 1.67 0.00 -0.65 0.00 0.00 174.74 175.82 1orr h ALA 242 N 2.88 2.15 -0.96 1.58 0.00 -1.29 0.81 119.26 124.43 1orr h ALA 242 Ca -0.47 0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.65 1orr h ALA 242 Cb 1.19 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 1orr h ALA 242 CO 0.64 -0.74 0.62 0.93 0.00 0.00 0.00 179.25 180.70 1orr h GLU 243 N 0.29 1.11 -0.08 0.00 5.08 -1.92 -0.80 114.58 118.26 1orr h GLU 243 Ca 0.73 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.87 1orr h GLU 243 Cb 1.83 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 1orr h GLU 243 CO -0.53 0.73 -0.65 -0.44 -1.00 0.00 0.00 179.01 177.12 1orr h ASP 244 N 1.14 0.34 -0.51 1.42 3.32 -1.24 -2.95 116.42 117.94 1orr h ASP 244 Ca 0.41 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 57.17 1orr h ASP 244 Cb 0.12 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1orr h ASP 244 CO -0.16 0.90 0.03 -0.03 -1.72 0.00 0.00 179.24 178.26 1orr h MET 245 N 0.21 0.93 -0.31 3.56 4.05 -0.81 -1.73 114.93 120.84 1orr h MET 245 Ca -0.01 -0.26 -0.00 0.00 -0.28 0.00 0.00 59.70 59.15 1orr h MET 245 Cb 1.18 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.86 1orr h MET 245 CO 0.10 0.90 0.19 0.82 0.23 0.00 0.00 176.91 179.16 1orr h ILE 246 N 0.87 1.10 -0.81 1.77 2.04 -1.00 -1.87 117.51 119.61 1orr h ILE 246 Ca 0.17 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 1orr h ILE 246 Cb 0.47 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1orr h ILE 246 CO 0.02 0.10 0.35 0.77 0.00 0.00 0.00 178.15 179.39 1orr h SER 247 N 0.40 1.10 0.41 1.72 4.64 -1.47 -2.17 113.55 118.16 1orr h SER 247 Ca 0.11 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 1orr h SER 247 Cb -0.00 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.78 1orr h SER 247 CO -0.02 0.95 -0.37 0.25 -0.87 0.00 0.00 176.83 176.77 1orr h LEU 248 N 1.17 -0.98 -0.45 5.97 5.85 -0.89 0.32 115.31 126.30 1orr h LEU 248 Ca 0.28 0.08 0.04 0.00 0.84 0.00 0.00 57.88 59.12 1orr h LEU 248 Cb 0.17 0.32 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1orr h LEU 248 CO -0.03 -0.52 0.20 1.88 -0.34 0.00 0.00 178.44 179.63 1orr h TYR 249 N -0.78 0.37 -0.15 1.25 -1.99 -1.25 0.28 116.97 114.69 1orr h TYR 249 Ca -0.03 0.02 -0.18 0.00 2.00 0.00 0.00 58.73 60.53 1orr h TYR 249 Cb 0.69 -0.10 -0.00 0.00 2.00 0.00 0.00 36.73 39.32 1orr h TYR 249 CO -0.19 0.17 -0.65 0.74 -0.00 0.00 0.00 178.16 178.24 1orr h PHE 250 N 0.41 0.75 -0.49 4.88 -1.00 -1.29 -1.19 116.94 119.00 1orr h PHE 250 Ca 0.20 -0.30 -0.11 0.00 2.81 0.00 0.00 57.97 60.57 1orr h PHE 250 Cb 0.14 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 1orr h PHE 250 CO -0.12 1.06 -0.13 1.15 -1.61 0.00 0.00 178.31 178.67 1orr h THR 251 N 0.42 1.27 -0.36 -1.55 2.02 -0.15 -1.49 112.91 113.07 1orr h THR 251 Ca -0.01 -1.27 -0.00 0.00 0.77 0.00 0.00 66.41 65.90 1orr h THR 251 Cb 1.22 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 1orr h THR 251 CO 0.12 0.44 0.22 0.00 0.37 0.00 0.00 175.52 176.67 1orr h ALA 252 N 0.89 0.46 -0.75 6.16 0.00 -0.36 -2.66 119.26 122.99 1orr h ALA 252 Ca 0.12 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1orr h ALA 252 Cb 0.69 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1orr h ALA 252 CO 0.05 -0.04 0.43 1.25 0.00 0.00 0.00 179.25 180.94 1orr h LEU 253 N 0.47 0.64 -2.08 0.00 5.85 -1.04 0.59 115.31 119.74 1orr h LEU 253 Ca 0.13 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1orr h LEU 253 Cb 0.01 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1orr h LEU 253 CO -0.02 0.40 0.00 0.00 -0.34 0.00 0.00 178.44 178.48 1orr h ALA 254 N 1.39 1.00 -0.09 1.25 0.00 -0.95 -2.67 119.26 119.20 1orr h ALA 254 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1orr h ALA 254 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1orr h ALA 254 CO -0.20 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.14 1orr n ASN 255 N -2.79 2.61 -0.30 0.00 3.02 0.08 -4.85 115.26 113.02 1orr n ASN 255 Ca -0.01 -2.66 0.13 0.00 -0.03 0.00 0.00 54.58 52.00 1orr n ASN 255 Cb 0.12 -0.31 0.28 0.00 -0.61 0.00 0.00 39.78 39.26 1orr n ASN 255 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1orr h VAL 256 N 0.56 0.22 -0.91 2.41 3.04 -0.88 0.31 116.25 121.00 1orr h VAL 256 Ca 0.00 -0.04 0.12 0.00 -1.01 0.00 0.00 66.70 65.77 1orr h VAL 256 Cb 0.92 0.09 -0.07 0.00 -2.01 0.00 0.00 31.29 30.22 1orr h VAL 256 CO 0.04 0.02 0.58 0.77 -1.01 0.00 0.00 177.57 177.98 1orr h SER 257 N 0.12 0.75 1.45 3.17 4.64 -1.89 0.52 113.55 122.30 1orr h SER 257 Ca 0.55 0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 61.83 1orr h SER 257 Cb 1.12 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 1orr h SER 257 CO -0.74 0.40 -0.57 0.50 -0.87 0.00 0.00 176.83 175.55 1orr h LYS 258 N 0.80 0.00 -0.01 4.77 3.64 -1.34 -3.36 116.57 121.07 1orr h LYS 258 Ca 0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1orr h LYS 258 Cb 0.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1orr h LYS 258 CO -0.21 0.31 -0.15 0.44 -2.27 0.00 0.00 179.45 177.57 1orr n ILE 259 N -3.09 0.00 -1.60 2.00 -5.35 -0.57 -5.04 119.36 105.70 1orr n ILE 259 Ca 0.01 -0.43 -0.43 0.00 -0.27 0.00 0.00 62.75 61.63 1orr n ILE 259 Cb 0.69 1.16 0.00 0.00 -1.74 0.00 0.00 39.64 39.74 1orr n ILE 259 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 1orr n ARG 260 N 0.03 1.36 -0.77 6.28 1.85 0.17 -2.80 116.66 122.78 1orr n ARG 260 Ca 0.05 0.48 0.00 0.00 -1.00 0.00 0.00 57.85 57.38 1orr n ARG 260 Cb 0.24 -1.96 0.00 0.00 -1.05 0.00 0.00 32.46 29.69 1orr n ARG 260 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1orr n GLY 261 N 1.20 0.71 3.53 2.89 0.00 0.18 -4.93 105.19 108.78 1orr n GLY 261 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 1orr n GLY 261 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1orr s ASN 262 N -2.37 4.06 0.01 1.61 0.01 -1.12 -4.91 114.94 112.23 1orr s ASN 262 Ca 0.00 -0.62 0.02 0.00 -0.71 0.00 0.00 52.86 51.56 1orr s ASN 262 Cb 0.00 -0.62 -0.04 0.00 0.41 0.00 0.00 41.25 41.01 1orr s ASN 262 CO 0.00 0.12 -0.02 0.00 -1.51 0.00 0.00 177.10 175.69 1orr s ALA 263 N -1.58 3.21 -0.01 0.60 0.00 -1.26 -1.25 121.76 121.47 1orr s ALA 263 Ca 0.23 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.22 1orr s ALA 263 Cb -0.09 -1.27 0.01 0.00 0.00 0.00 0.00 23.12 21.76 1orr s ALA 263 CO 0.13 0.64 -0.04 -0.06 0.00 0.00 0.00 175.76 176.44 1orr s PHE 264 N -1.08 0.42 0.02 0.00 0.40 -0.44 -4.97 117.98 112.33 1orr s PHE 264 Ca 0.19 -0.07 -0.29 0.00 -0.60 0.00 0.00 56.93 56.16 1orr s PHE 264 Cb -0.11 -0.33 -0.04 0.00 0.51 0.00 0.00 43.02 43.05 1orr s PHE 264 CO 0.10 -0.05 0.93 -0.80 0.70 0.00 0.00 175.22 176.10 1orr s ASN 265 N 0.23 7.34 -0.05 1.36 -0.87 -1.26 -0.51 114.94 121.18 1orr s ASN 265 Ca -0.02 1.62 0.04 0.00 -1.57 0.00 0.00 52.86 52.93 1orr s ASN 265 Cb -0.06 -2.55 -0.00 0.00 -0.02 0.00 0.00 41.25 38.62 1orr s ASN 265 CO -0.00 -0.19 -0.16 -0.63 -2.57 0.00 0.00 177.10 173.54 1orr s ILE 266 N 0.74 1.38 0.10 0.60 -1.09 0.09 -4.54 121.20 118.49 1orr s ILE 266 Ca 0.49 -0.68 -0.24 0.00 -2.23 0.00 0.00 60.65 57.98 1orr s ILE 266 Cb -0.21 -1.19 0.08 0.00 -1.58 0.00 0.00 42.46 39.56 1orr s ILE 266 CO 0.27 0.40 1.13 0.61 -1.23 0.00 0.00 174.94 176.12 1orr n GLY 267 N 3.22 0.44 0.00 6.18 0.00 -1.26 -0.94 105.19 112.83 1orr n GLY 267 Ca -0.19 -1.11 0.10 0.00 0.00 0.00 0.00 46.02 44.83 1orr n GLY 267 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1orr n GLY 268 N -0.81 -1.19 0.21 -0.02 0.00 -1.25 -4.85 105.19 97.28 1orr n GLY 268 Ca 0.01 -0.08 0.03 0.00 0.00 0.00 0.00 46.02 45.98 1orr n GLY 268 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1orr n THR 269 N -1.47 -0.04 -0.34 2.61 -2.24 -1.26 -3.95 114.28 107.59 1orr n THR 269 Ca 0.06 0.09 0.19 0.00 -2.27 0.00 0.00 64.05 62.12 1orr n THR 269 Cb 0.24 -0.16 0.43 0.00 -2.10 0.00 0.00 70.33 68.73 1orr n THR 269 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1orr h ILE 270 N -0.20 0.55 0.00 2.28 6.09 -1.84 0.12 117.51 124.51 1orr h ILE 270 Ca -0.02 -0.18 -0.01 0.00 -1.37 0.00 0.00 64.86 63.29 1orr h ILE 270 Cb 0.20 -0.02 -0.00 0.00 0.47 0.00 0.00 36.82 37.47 1orr h ILE 270 CO 0.01 0.10 -0.03 0.58 -3.07 0.00 0.00 178.15 175.73 1orr h VAL 271 N 0.52 0.21 -0.41 2.19 2.07 -1.98 -1.39 116.25 117.47 1orr h VAL 271 Ca 0.61 -0.23 -0.19 0.00 0.82 0.00 0.00 66.70 67.72 1orr h VAL 271 Cb 1.30 1.18 -0.11 0.00 -1.52 0.00 0.00 31.29 32.14 1orr h VAL 271 CO -0.38 0.03 0.00 0.59 0.02 0.00 0.00 177.57 177.83 1orr n ASN 272 N -3.32 2.77 -4.77 0.57 3.02 0.42 -4.79 115.26 109.16 1orr n ASN 272 Ca -0.02 -3.67 -0.39 0.00 -0.03 0.00 0.00 54.58 50.47 1orr n ASN 272 Cb 0.16 -0.65 -0.06 0.00 -0.61 0.00 0.00 39.78 38.62 1orr n ASN 272 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1orr s SER 273 N -2.34 7.43 0.01 6.41 1.04 -0.53 -1.82 113.70 123.91 1orr s SER 273 Ca 0.46 1.70 0.00 0.00 0.48 0.00 0.00 55.95 58.59 1orr s SER 273 Cb 0.41 -2.52 -0.01 0.00 0.10 0.00 0.00 66.02 64.00 1orr s SER 273 CO 0.02 0.20 -0.02 -0.76 0.98 0.00 0.00 173.24 173.65 1orr s LEU 274 N -1.18 2.10 0.40 2.42 1.43 -0.05 -4.95 118.68 118.86 1orr s LEU 274 Ca 0.37 -0.22 0.07 0.00 -1.03 0.00 0.00 54.13 53.32 1orr s LEU 274 Cb -0.23 -0.02 0.01 0.00 0.03 0.00 0.00 46.19 45.97 1orr s LEU 274 CO 0.27 -0.10 0.56 -0.94 0.23 0.00 0.00 176.35 176.36 1orr s SER 275 N -0.62 5.73 0.17 2.29 1.04 -1.26 -1.70 113.70 119.34 1orr s SER 275 Ca -0.06 -0.32 -0.13 0.00 0.48 0.00 0.00 55.95 55.92 1orr s SER 275 Cb -0.04 -0.84 0.07 0.00 0.10 0.00 0.00 66.02 65.30 1orr s SER 275 CO -0.00 -0.69 1.78 -0.07 0.98 0.00 0.00 173.24 175.23 1orr h LEU 276 N 0.67 0.71 -0.74 2.42 4.07 -1.41 -0.79 115.31 120.24 1orr h LEU 276 Ca -0.42 -0.10 0.06 0.00 0.08 0.00 0.00 57.88 57.50 1orr h LEU 276 Cb 1.27 -0.18 -0.06 0.00 1.08 0.00 0.00 40.66 42.77 1orr h LEU 276 CO 0.48 0.61 0.43 -0.07 -1.08 0.00 0.00 178.44 178.81 1orr h LEU 277 N 0.76 0.66 -0.68 1.67 3.38 -1.72 0.15 115.31 119.54 1orr h LEU 277 Ca 0.20 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 1orr h LEU 277 Cb 0.06 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1orr h LEU 277 CO -0.03 0.42 0.26 -0.33 0.09 0.00 0.00 178.44 178.85 1orr h GLU 278 N 0.80 1.02 -0.25 1.13 5.08 -1.70 -1.78 114.58 118.86 1orr h GLU 278 Ca 0.33 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1orr h GLU 278 Cb 0.18 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1orr h GLU 278 CO -0.18 0.86 0.15 1.25 -1.00 0.00 0.00 179.01 180.09 1orr h LEU 279 N 0.96 0.31 -0.70 1.33 5.85 -0.27 -0.94 115.31 121.86 1orr h LEU 279 Ca 0.22 -0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.96 1orr h LEU 279 Cb 0.23 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 1orr h LEU 279 CO -0.02 0.27 0.37 -0.26 -0.34 0.00 0.00 178.44 178.47 1orr h PHE 280 N 0.31 0.67 -0.33 1.25 0.04 -0.31 -1.68 116.94 116.89 1orr h PHE 280 Ca 0.09 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.93 1orr h PHE 280 Cb 0.03 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 37.94 1orr h PHE 280 CO -0.04 0.28 0.11 -0.22 -0.60 0.00 0.00 178.31 177.84 1orr h LYS 281 N 0.65 0.25 -0.82 1.51 1.63 -0.82 0.35 116.57 119.32 1orr h LYS 281 Ca 0.33 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 60.15 1orr h LYS 281 Cb 0.28 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.80 1orr h LYS 281 CO -0.23 0.16 0.52 -0.07 -3.45 0.00 0.00 179.45 176.38 1orr h LEU 282 N 0.25 0.84 -0.39 5.20 3.38 -0.45 -1.73 115.31 122.42 1orr h LEU 282 Ca 0.15 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 1orr h LEU 282 Cb 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1orr h LEU 282 CO -0.16 0.57 -0.26 -0.07 0.09 0.00 0.00 178.44 178.62 1orr h LEU 283 N 0.99 0.91 -0.92 1.67 3.38 -0.79 -1.68 115.31 118.88 1orr h LEU 283 Ca 0.34 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1orr h LEU 283 Cb 0.06 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1orr h LEU 283 CO -0.13 1.14 0.61 -0.33 0.09 0.00 0.00 178.44 179.82 1orr h GLU 284 N 0.68 1.20 -0.03 1.13 5.08 -0.59 -1.02 114.58 121.03 1orr h GLU 284 Ca 0.08 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1orr h GLU 284 Cb 0.83 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1orr h GLU 284 CO 0.07 0.79 -0.00 -0.44 -1.00 0.00 0.00 179.01 178.43 1orr h ASP 285 N 1.24 0.06 -0.44 1.42 3.32 -1.22 0.85 116.42 121.65 1orr h ASP 285 Ca 0.34 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1orr h ASP 285 Cb -0.14 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1orr h ASP 285 CO -0.08 0.38 0.21 0.22 -1.72 0.00 0.00 179.24 178.26 1orr h TYR 286 N -0.26 0.67 0.00 4.55 3.20 -1.08 -3.18 116.97 120.87 1orr h TYR 286 Ca 0.01 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1orr h TYR 286 Cb 0.35 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.41 1orr h TYR 286 CO 0.04 0.51 -1.27 0.00 -1.64 0.00 0.00 178.16 175.80 1orr n ASN 288 N -1.73 -2.72 -4.13 0.00 5.15 0.29 -5.03 115.26 107.09 1orr n ASN 288 Ca 0.00 -0.45 -0.19 0.00 -0.60 0.00 0.00 54.58 53.35 1orr n ASN 288 Cb 0.36 -3.76 -0.10 0.00 -0.53 0.00 0.00 39.78 35.75 1orr n ASN 288 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1orr s ILE 289 N -3.26 0.46 -0.19 -1.44 -4.36 -0.92 -5.05 121.20 106.44 1orr s ILE 289 Ca 0.07 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.45 1orr s ILE 289 Cb -0.01 -2.56 0.01 0.00 1.25 0.00 0.00 42.46 41.15 1orr s ILE 289 CO 0.51 0.00 -0.13 -1.81 0.24 0.00 0.00 174.94 173.75 1orr s ASP 290 N -3.37 3.63 -0.85 4.36 1.01 -1.26 -4.58 116.67 115.60 1orr s ASP 290 Ca 0.36 -0.54 -0.17 0.00 0.71 0.00 0.00 52.55 52.91 1orr s ASP 290 Cb 0.06 -1.59 0.15 0.00 1.01 0.00 0.00 42.92 42.56 1orr s ASP 290 CO 0.16 -0.00 0.96 -0.04 0.21 0.00 0.00 175.17 176.45 1orr s MET 291 N 1.33 3.52 0.25 8.23 -1.94 -1.26 -5.04 119.30 124.40 1orr s MET 291 Ca 0.05 -1.91 -0.16 0.00 -1.71 0.00 0.00 55.69 51.96 1orr s MET 291 Cb -0.14 -4.66 -0.08 0.00 2.01 0.00 0.00 34.83 31.96 1orr s MET 291 CO -0.08 -1.59 0.68 1.03 -0.01 0.00 0.00 175.02 175.05 1orr s ARG 292 N 1.91 4.06 0.32 2.03 0.52 -1.26 -5.08 118.95 121.45 1orr s ARG 292 Ca 0.25 0.66 -0.16 0.00 -0.52 0.00 0.00 55.73 55.97 1orr s ARG 292 Cb -0.09 -2.68 0.03 0.00 0.52 0.00 0.00 34.95 32.73 1orr s ARG 292 CO -0.07 0.30 0.68 -0.59 0.02 0.00 0.00 175.30 175.64 1orr s PHE 293 N -1.74 0.14 0.07 -0.53 -0.12 -1.26 -4.46 117.98 110.08 1orr s PHE 293 Ca 0.47 -0.63 0.08 0.00 -0.05 0.00 0.00 56.93 56.80 1orr s PHE 293 Cb -0.13 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 42.81 1orr s PHE 293 CO 0.19 -1.30 -0.22 -0.08 -0.05 0.00 0.00 175.22 173.77 1orr s THR 294 N -3.30 1.76 -0.11 -4.49 -1.32 -0.86 -5.01 115.64 102.30 1orr s THR 294 Ca 0.16 -1.39 -0.12 0.00 -1.21 0.00 0.00 61.69 59.14 1orr s THR 294 Cb -0.04 -1.56 -0.05 0.00 -1.51 0.00 0.00 72.50 69.34 1orr s THR 294 CO 0.10 0.10 0.27 0.20 -2.21 0.00 0.00 174.62 173.08 1orr s ASN 295 N -1.53 6.50 0.39 8.08 -0.87 -1.26 -2.08 114.94 124.17 1orr s ASN 295 Ca 0.08 0.59 0.08 0.00 -1.57 0.00 0.00 52.86 52.04 1orr s ASN 295 Cb -0.09 -2.16 -0.02 0.00 -0.02 0.00 0.00 41.25 38.95 1orr s ASN 295 CO 0.03 0.25 0.34 -0.76 -2.57 0.00 0.00 177.10 174.40 1orr s LEU 296 N -0.36 3.46 0.69 0.60 1.43 0.04 -4.95 118.68 119.59 1orr s LEU 296 Ca 0.17 -0.66 -0.17 0.00 -1.03 0.00 0.00 54.13 52.44 1orr s LEU 296 Cb -0.13 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 44.00 1orr s LEU 296 CO 0.06 -0.55 1.28 -2.84 0.23 0.00 0.00 176.35 174.53 1orr s PRO 297 N -4.08 2.31 0.56 1.29 0.02 -1.26 -1.12 135.00 132.72 1orr s PRO 297 Ca 0.46 2.01 -0.20 0.00 0.02 0.00 0.00 61.00 63.28 1orr s PRO 297 Cb -0.04 -1.82 -0.05 0.00 0.02 0.00 0.00 34.50 32.61 1orr s PRO 297 CO 0.27 -1.77 1.24 0.54 -0.33 0.00 0.00 177.00 176.96 1orr s VAL 298 N -1.56 2.55 0.17 3.83 0.11 -1.26 -3.60 120.40 120.64 1orr s VAL 298 Ca 0.81 0.37 -0.32 0.00 -2.93 0.00 0.00 61.98 59.91 1orr s VAL 298 Cb -0.36 -3.17 -0.11 0.00 -1.53 0.00 0.00 36.38 31.22 1orr s VAL 298 CO 0.42 -0.04 1.65 -0.60 -3.33 0.00 0.00 175.10 173.20 1orr s ARG 299 N -3.10 4.18 0.24 1.54 3.52 -1.26 -4.86 118.95 119.20 1orr s ARG 299 Ca 0.74 2.46 -0.10 0.00 -0.13 0.00 0.00 55.73 58.70 1orr s ARG 299 Cb -0.33 -3.18 0.36 0.00 -1.56 0.00 0.00 34.95 30.24 1orr s ARG 299 CO 0.37 -0.68 1.62 0.93 -0.81 0.00 0.00 175.30 176.73 1orr h GLU 300 N 7.01 0.05 -4.36 5.12 3.07 -2.02 -3.32 114.58 120.12 1orr h GLU 300 Ca -0.43 -0.00 -0.73 0.00 -0.50 0.00 0.00 59.36 57.70 1orr h GLU 300 Cb 1.20 -0.01 -0.24 0.00 -0.84 0.00 0.00 28.75 28.86 1orr h GLU 300 CO 0.93 0.03 -0.38 0.45 -1.40 0.00 0.00 179.01 178.65 1orr s SER 301 N -5.21 5.98 0.11 1.42 0.15 -1.26 -5.05 113.70 109.84 1orr s SER 301 Ca -0.14 -1.37 -0.20 0.00 0.70 0.00 0.00 55.95 54.94 1orr s SER 301 Cb 0.22 -2.12 0.05 0.00 -1.71 0.00 0.00 66.02 62.46 1orr s SER 301 CO 0.75 -0.60 0.50 -0.62 1.20 0.00 0.00 173.24 174.47 1orr s ASP 302 N 2.41 -0.41 -0.12 5.45 2.15 -1.25 -5.08 116.67 119.82 1orr s ASP 302 Ca 0.04 -0.05 -0.01 0.00 0.43 0.00 0.00 52.55 52.95 1orr s ASP 302 Cb -0.24 0.52 -0.03 0.00 -0.30 0.00 0.00 42.92 42.88 1orr s ASP 302 CO 0.05 -0.84 -0.07 -1.10 -0.17 0.00 0.00 175.17 173.04 1orr s GLN 303 N -3.33 3.29 0.30 4.34 -0.21 -1.26 -4.66 119.66 118.12 1orr s GLN 303 Ca -0.00 -0.56 0.14 0.00 0.02 0.00 0.00 55.36 54.95 1orr s GLN 303 Cb 0.00 -2.74 0.41 0.00 1.00 0.00 0.00 33.01 31.69 1orr s GLN 303 CO -0.09 0.39 1.62 0.00 -2.12 0.00 0.00 175.29 175.08 1orr h ARG 304 N 6.19 0.00 -3.28 2.91 3.08 -1.91 -3.43 114.38 117.94 1orr h ARG 304 Ca -0.36 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.46 1orr h ARG 304 Cb 1.19 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 30.93 1orr h ARG 304 CO 0.58 0.53 -0.59 0.08 -1.07 0.00 0.00 179.97 179.50 1orr s VAL 305 N -3.45 -0.04 -0.16 2.04 1.01 -1.26 0.14 120.40 118.68 1orr s VAL 305 Ca 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 1orr s VAL 305 Cb 0.11 -0.23 0.06 0.00 0.00 0.00 0.00 36.38 36.32 1orr s VAL 305 CO 0.73 0.06 0.10 0.12 0.00 0.00 0.00 175.10 176.11 1orr s PHE 306 N 0.97 0.13 -0.04 5.22 5.36 -0.19 -4.96 117.98 124.46 1orr s PHE 306 Ca -0.07 -0.20 0.01 0.00 -0.96 0.00 0.00 56.93 55.71 1orr s PHE 306 Cb -0.10 -0.64 0.02 0.00 -0.34 0.00 0.00 43.02 41.96 1orr s PHE 306 CO -0.05 -0.49 -0.05 0.08 -1.46 0.00 0.00 175.22 173.26 1orr s VAL 307 N 2.16 0.52 -0.05 3.12 1.01 -1.26 -1.89 120.40 124.01 1orr s VAL 307 Ca 0.03 -0.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.59 1orr s VAL 307 Cb -0.16 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 1orr s VAL 307 CO -0.09 0.21 0.85 0.00 0.00 0.00 0.00 175.10 176.07 1orr s ALA 308 N 0.70 3.28 -0.51 5.51 0.00 -1.26 -0.44 121.76 129.04 1orr s ALA 308 Ca -0.09 0.31 -0.20 0.00 0.00 0.00 0.00 51.96 51.98 1orr s ALA 308 Cb -0.12 -3.18 0.05 0.00 0.00 0.00 0.00 23.12 19.87 1orr s ALA 308 CO 0.00 -0.24 0.68 0.34 0.00 0.00 0.00 175.76 176.54 1orr s ASP 309 N 0.94 6.26 -0.10 0.00 -1.08 -0.07 -4.37 116.67 118.25 1orr s ASP 309 Ca 0.44 -0.74 0.08 0.00 -0.52 0.00 0.00 52.55 51.81 1orr s ASP 309 Cb -0.19 -2.32 0.39 0.00 -1.46 0.00 0.00 42.92 39.34 1orr s ASP 309 CO 0.22 -0.94 1.14 2.30 0.52 0.00 0.00 175.17 178.41 1orr n ILE 310 N 5.75 1.22 -0.30 4.11 -5.35 -1.26 -4.49 119.36 119.04 1orr n ILE 310 Ca -0.04 -0.66 0.05 0.00 -0.27 0.00 0.00 62.75 61.83 1orr n ILE 310 Cb 0.46 -0.29 0.20 0.00 -1.74 0.00 0.00 39.64 38.27 1orr n ILE 310 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1orr h LYS 311 N 2.00 0.72 -0.14 6.28 3.64 -1.91 -1.72 116.57 125.44 1orr h LYS 311 Ca 0.00 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1orr h LYS 311 Cb 1.11 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 1orr h LYS 311 CO 0.20 0.47 0.01 -0.22 -2.27 0.00 0.00 179.45 177.65 1orr h LYS 312 N 0.74 0.07 -0.35 1.90 3.64 -1.94 -0.84 116.57 119.78 1orr h LYS 312 Ca 0.44 -0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.66 1orr h LYS 312 Cb 0.51 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1orr h LYS 312 CO -0.30 0.04 -0.38 0.97 -2.27 0.00 0.00 179.45 177.51 1orr h ILE 313 N 0.07 1.28 -0.81 2.00 6.09 -1.82 -1.70 117.51 122.62 1orr h ILE 313 Ca 0.06 -1.55 -0.04 0.00 -1.37 0.00 0.00 64.86 61.96 1orr h ILE 313 Cb 0.07 1.41 -0.04 0.00 0.47 0.00 0.00 36.82 38.73 1orr h ILE 313 CO -0.10 0.51 0.35 0.71 -3.07 0.00 0.00 178.15 176.55 1orr h THR 314 N 0.69 1.26 -0.35 2.19 1.35 -1.15 -0.03 112.91 116.88 1orr h THR 314 Ca 0.06 -0.79 -0.09 0.00 -0.55 0.00 0.00 66.41 65.04 1orr h THR 314 Cb 0.95 0.26 -0.02 0.00 -1.73 0.00 0.00 68.15 67.62 1orr h THR 314 CO 0.09 0.33 -0.14 0.78 -0.25 0.00 0.00 175.52 176.33 1orr h ASN 315 N 1.18 0.61 0.18 5.36 2.35 -1.07 0.47 115.58 124.66 1orr h ASN 315 Ca 0.27 -0.18 -0.29 0.00 -0.55 0.00 0.00 56.30 55.55 1orr h ASN 315 Cb 0.18 -0.16 0.03 0.00 0.05 0.00 0.00 38.32 38.42 1orr h ASN 315 CO -0.03 0.77 -1.26 0.00 -1.65 0.00 0.00 177.43 175.26 1orr h ALA 316 N 1.29 -0.09 0.00 -0.83 0.00 -0.64 -3.41 119.26 115.58 1orr h ALA 316 Ca 0.10 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1orr h ALA 316 Cb 0.56 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1orr h ALA 316 CO 0.04 0.62 0.00 0.44 0.00 0.00 0.00 179.25 180.35 1orr n ILE 317 N -3.83 0.00 -2.90 0.00 -5.35 -0.09 -5.02 119.36 102.17 1orr n ILE 317 Ca -0.15 -0.33 -0.16 0.00 -0.27 0.00 0.00 62.75 61.84 1orr n ILE 317 Cb 1.01 1.15 0.03 0.00 -1.74 0.00 0.00 39.64 40.09 1orr n ILE 317 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1orr n ASP 318 N -0.37 -4.80 -4.83 7.28 2.03 0.16 -5.00 116.55 111.02 1orr n ASP 318 Ca 0.00 -0.24 -0.33 0.00 0.52 0.00 0.00 54.79 54.74 1orr n ASP 318 Cb 0.04 -3.59 -0.06 0.00 -0.72 0.00 0.00 41.12 36.78 1orr n ASP 318 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1orr s TRP 319 N -3.04 3.40 -0.06 -0.67 -0.00 -1.26 -5.01 118.94 112.30 1orr s TRP 319 Ca 0.26 0.28 -0.19 0.00 -0.00 0.00 0.00 56.10 56.46 1orr s TRP 319 Cb -0.11 -1.79 0.04 0.00 -0.00 0.00 0.00 33.47 31.61 1orr s TRP 319 CO 0.32 0.60 0.43 -1.54 -0.00 0.00 0.00 176.95 176.75 1orr s SER 320 N -1.76 -0.36 0.40 5.86 1.04 -1.26 -4.30 113.70 113.32 1orr s SER 320 Ca 0.24 0.43 -0.26 0.00 0.48 0.00 0.00 55.95 56.83 1orr s SER 320 Cb -0.12 0.51 -0.09 0.00 0.10 0.00 0.00 66.02 66.42 1orr s SER 320 CO 0.15 -0.41 1.27 -2.84 0.98 0.00 0.00 173.24 172.39 1orr s PRO 321 N -0.91 4.02 -0.00 4.02 0.02 -1.26 -4.94 135.00 135.94 1orr s PRO 321 Ca -0.10 2.09 0.05 0.00 0.02 0.00 0.00 61.00 63.06 1orr s PRO 321 Cb -0.04 -2.77 -0.07 0.00 0.02 0.00 0.00 34.50 31.65 1orr s PRO 321 CO 0.05 -0.43 0.13 1.63 -0.33 0.00 0.00 177.00 178.05 1orr n LYS 322 N 0.18 1.57 -3.14 5.54 5.02 -1.26 -4.96 118.16 121.10 1orr n LYS 322 Ca 0.03 -0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1orr n LYS 322 Cb 0.44 -1.01 -0.07 0.00 -0.02 0.00 0.00 35.03 34.37 1orr n LYS 322 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1orr s VAL 323 N -2.10 4.96 0.74 -0.18 1.01 -1.26 -5.05 120.40 118.52 1orr s VAL 323 Ca -0.01 0.82 -0.11 0.00 0.00 0.00 0.00 61.98 62.68 1orr s VAL 323 Cb 0.03 -3.97 0.04 0.00 0.00 0.00 0.00 36.38 32.48 1orr s VAL 323 CO 0.20 -0.11 1.08 -0.94 0.00 0.00 0.00 175.10 175.34 1orr s SER 324 N 1.63 4.82 0.15 3.32 1.04 -1.26 -4.72 113.70 118.69 1orr s SER 324 Ca 0.24 1.80 -0.16 0.00 0.48 0.00 0.00 55.95 58.31 1orr s SER 324 Cb -0.15 -2.52 0.04 0.00 0.10 0.00 0.00 66.02 63.49 1orr s SER 324 CO 0.11 -1.82 1.78 0.00 0.98 0.00 0.00 173.24 174.29 1orr h ALA 325 N -0.84 0.47 -0.73 5.32 0.00 -1.87 0.26 119.26 121.87 1orr h ALA 325 Ca -0.44 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1orr h ALA 325 Cb 1.23 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1orr h ALA 325 CO 0.53 -0.16 0.40 -0.22 0.00 0.00 0.00 179.25 179.80 1orr h LYS 326 N 0.40 1.01 -0.35 0.00 3.64 -1.96 0.25 116.57 119.57 1orr h LYS 326 Ca 0.16 -0.12 -0.14 0.00 -1.27 0.00 0.00 60.65 59.28 1orr h LYS 326 Cb 0.05 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1orr h LYS 326 CO -0.10 0.75 -0.33 -0.44 -2.27 0.00 0.00 179.45 177.07 1orr h ASP 327 N 1.00 0.90 -0.40 4.20 3.32 -1.85 -2.34 116.42 121.24 1orr h ASP 327 Ca 0.26 -0.46 -0.05 0.00 0.02 0.00 0.00 57.03 56.79 1orr h ASP 327 Cb 0.04 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1orr h ASP 327 CO -0.04 1.18 0.06 1.23 -1.72 0.00 0.00 179.24 179.95 1orr h GLY 328 N 0.64 0.72 1.01 2.75 0.00 -0.35 -1.97 103.07 105.87 1orr h GLY 328 Ca 0.06 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 1orr h GLY 328 CO 0.08 0.45 0.38 -2.08 0.00 0.00 0.00 176.54 175.37 1orr h VAL 329 N 0.52 1.23 -0.56 4.60 2.07 -0.92 0.26 116.25 123.45 1orr h VAL 329 Ca 0.12 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1orr h VAL 329 Cb 0.38 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1orr h VAL 329 CO 0.01 0.26 0.35 1.56 0.02 0.00 0.00 177.57 179.77 1orr h GLN 330 N 1.00 0.75 -0.40 1.57 4.20 -1.30 0.23 115.11 121.16 1orr h GLN 330 Ca 0.25 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.93 1orr h GLN 330 Cb 0.06 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 1orr h GLN 330 CO -0.04 0.52 0.22 0.87 -0.67 0.00 0.00 178.83 179.73 1orr h LYS 331 N 0.76 0.43 -0.85 1.46 1.57 -0.88 -1.15 116.57 117.91 1orr h LYS 331 Ca 0.20 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.99 1orr h LYS 331 Cb -0.05 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.11 1orr h LYS 331 CO -0.04 0.28 0.54 1.98 -0.57 0.00 0.00 179.45 181.65 1orr h MET 332 N 0.44 1.02 -0.74 3.15 4.05 0.48 0.18 114.93 123.51 1orr h MET 332 Ca 0.17 -0.06 0.02 0.00 -0.28 0.00 0.00 59.70 59.55 1orr h MET 332 Cb 0.05 -0.23 -0.04 0.00 -0.80 0.00 0.00 31.60 30.58 1orr h MET 332 CO -0.10 0.67 0.48 -0.92 0.23 0.00 0.00 176.91 177.27 1orr h TYR 333 N 1.05 0.90 -0.41 1.39 3.20 -0.06 0.11 116.97 123.15 1orr h TYR 333 Ca 0.34 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.18 1orr h TYR 333 Cb 0.03 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 1orr h TYR 333 CO -0.02 0.54 0.05 -0.44 -1.64 0.00 0.00 178.16 176.64 1orr h ASP 334 N 0.95 0.67 0.05 -2.11 3.32 0.03 0.20 116.42 119.53 1orr h ASP 334 Ca 0.28 -0.27 0.02 0.00 0.02 0.00 0.00 57.03 57.08 1orr h ASP 334 Cb -0.05 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 1orr h ASP 334 CO -0.09 0.77 -0.16 -0.25 -1.72 0.00 0.00 179.24 177.79 1orr h TRP 335 N 0.54 -0.42 -0.57 4.55 2.91 -0.31 -1.14 115.95 121.50 1orr h TRP 335 Ca 0.12 0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.23 1orr h TRP 335 Cb 0.40 0.18 -0.07 0.00 -0.51 0.00 0.00 29.16 29.17 1orr h TRP 335 CO 0.03 -0.24 0.21 1.15 -1.03 0.00 0.00 178.44 178.56 1orr h THR 336 N -0.29 0.80 -0.56 2.65 2.02 -0.46 -1.53 112.91 115.54 1orr h THR 336 Ca 0.04 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 1orr h THR 336 Cb 0.33 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1orr h THR 336 CO -0.12 0.07 0.16 -1.28 0.37 0.00 0.00 175.52 174.72 1orr h SER 337 N 0.39 0.79 0.16 4.18 0.87 -0.18 -2.13 113.55 117.62 1orr h SER 337 Ca 0.28 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1orr h SER 337 Cb 0.32 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1orr h SER 337 CO -0.28 0.75 0.00 0.77 -0.53 0.00 0.00 176.83 177.54 1orr h SER 338 N 0.82 0.00 -0.03 6.23 4.64 -0.17 -3.51 113.55 121.53 1orr h SER 338 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1orr h SER 338 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1orr h SER 338 CO -0.01 0.00 0.00 -0.38 -0.87 0.00 0.00 176.83 175.57