#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 3.86 -0.17 0.00 1.02 -1.26 -2.05 119.74 121.14 1orr s LYS 3 Ca 0.00 -0.40 0.00 0.00 0.02 0.00 0.00 55.97 55.59 1orr s LYS 3 Cb 0.00 -3.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 1orr s LYS 3 CO 0.00 0.16 -0.16 -1.17 -0.92 0.00 0.00 175.35 173.26 1orr s LEU 4 N 0.67 2.39 -0.16 3.17 2.96 0.37 -1.00 118.68 127.08 1orr s LEU 4 Ca 0.02 -0.52 -0.07 0.00 -0.22 0.00 0.00 54.13 53.35 1orr s LEU 4 Cb -0.13 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 1orr s LEU 4 CO 0.02 0.05 0.05 -0.22 -1.32 0.00 0.00 176.35 174.93 1orr s LEU 5 N 1.00 3.80 -0.24 -0.68 2.96 -0.17 -0.41 118.68 124.94 1orr s LEU 5 Ca -0.02 0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1orr s LEU 5 Cb -0.15 -1.94 0.05 0.00 0.50 0.00 0.00 46.19 44.65 1orr s LEU 5 CO -0.04 0.22 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.45 1orr s ILE 6 N 0.11 2.20 0.24 6.68 1.01 0.85 -1.27 121.20 131.02 1orr s ILE 6 Ca 0.05 -1.44 -0.18 0.00 0.00 0.00 0.00 60.65 59.08 1orr s ILE 6 Cb -0.12 -2.20 -0.08 0.00 0.01 0.00 0.00 42.46 40.06 1orr s ILE 6 CO 0.01 0.11 0.71 0.42 0.00 0.00 0.00 174.94 176.20 1orr s THR 7 N 1.16 4.61 -0.96 2.92 -4.23 -0.53 -1.47 115.64 117.14 1orr s THR 7 Ca -0.05 1.18 0.00 0.00 -1.18 0.00 0.00 61.69 61.64 1orr s THR 7 Cb -0.18 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.86 1orr s THR 7 CO -0.07 0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1orr n GLY 8 N 0.50 0.96 0.16 3.99 0.00 0.16 -2.12 105.19 108.83 1orr n GLY 8 Ca -0.01 -0.60 0.10 0.00 0.00 0.00 0.00 46.02 45.50 1orr n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1orr n GLY 9 N -1.75 -0.80 1.14 -0.02 0.00 -1.12 -1.80 105.19 100.84 1orr n GLY 9 Ca -0.09 0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1orr n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1orr n GLY 11 N 1.50 0.07 0.48 0.00 0.00 -0.74 -4.38 105.19 102.13 1orr n GLY 11 Ca 0.19 -1.85 -0.19 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.58 -1.13 -0.43 1.61 3.57 -1.86 -0.61 116.94 117.50 1orr h PHE 12 Ca 0.00 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 1orr h PHE 12 Cb 0.00 0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1orr h PHE 12 CO 0.00 -0.70 0.11 -0.07 -2.23 0.00 0.00 178.31 175.42 1orr h LEU 13 N -1.28 0.65 -0.51 0.59 4.07 -1.90 -3.01 115.31 113.92 1orr h LEU 13 Ca -0.12 -0.23 0.06 0.00 0.08 0.00 0.00 57.88 57.67 1orr h LEU 13 Cb 0.93 -0.17 -0.06 0.00 1.08 0.00 0.00 40.66 42.45 1orr h LEU 13 CO 0.20 0.71 0.20 1.23 -1.08 0.00 0.00 178.44 179.70 1orr h GLY 14 N 0.57 0.69 1.40 0.83 0.00 -1.71 0.08 103.07 104.92 1orr h GLY 14 Ca 0.14 -0.12 -0.11 0.00 0.00 0.00 0.00 47.33 47.24 1orr h GLY 14 CO 0.00 0.03 -0.22 1.48 0.00 0.00 0.00 176.54 177.83 1orr h SER 15 N 0.39 0.70 -0.25 0.19 4.64 -0.51 0.30 113.55 119.01 1orr h SER 15 Ca 0.24 -0.25 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 1orr h SER 15 Cb 0.24 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1orr h SER 15 CO -0.23 0.91 0.04 0.78 -0.87 0.00 0.00 176.83 177.46 1orr h ASN 16 N 0.61 0.40 -0.40 4.97 2.35 -1.31 -0.08 115.58 122.11 1orr h ASN 16 Ca 0.09 -0.26 -0.11 0.00 -0.55 0.00 0.00 56.30 55.47 1orr h ASN 16 Cb 0.71 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 1orr h ASN 16 CO 0.05 0.56 -0.15 -0.07 -1.65 0.00 0.00 177.43 176.18 1orr h LEU 17 N 0.22 0.88 -0.63 1.61 3.38 -0.79 -2.75 115.31 117.23 1orr h LEU 17 Ca 0.08 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 1orr h LEU 17 Cb 0.33 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1orr h LEU 17 CO 0.01 1.02 0.09 0.00 0.09 0.00 0.00 178.44 179.65 1orr h ALA 18 N 1.05 0.84 -0.89 1.53 0.00 -0.23 -0.84 119.26 120.72 1orr h ALA 18 Ca 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1orr h ALA 18 Cb 0.67 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1orr h ALA 18 CO 0.05 0.61 0.54 0.66 0.00 0.00 0.00 179.25 181.11 1orr h SER 19 N 0.96 1.07 -0.44 0.00 4.64 -0.85 -0.72 113.55 118.22 1orr h SER 19 Ca 0.19 -0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.39 1orr h SER 19 Cb 0.45 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 1orr h SER 19 CO 0.01 0.83 0.08 0.15 -0.87 0.00 0.00 176.83 177.04 1orr h PHE 20 N 1.23 0.75 -0.85 4.77 3.57 -1.20 -1.23 116.94 123.98 1orr h PHE 20 Ca 0.32 -0.10 0.02 0.00 3.53 0.00 0.00 57.97 61.74 1orr h PHE 20 Cb -0.05 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.43 1orr h PHE 20 CO 0.00 0.71 0.56 0.00 -2.23 0.00 0.00 178.31 177.35 1orr h ALA 21 N 0.95 1.11 -0.67 2.41 0.00 -0.55 -0.94 119.26 121.57 1orr h ALA 21 Ca 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1orr h ALA 21 Cb 0.36 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1orr h ALA 21 CO 0.01 0.43 0.29 -0.07 0.00 0.00 0.00 179.25 179.91 1orr h LEU 22 N 1.11 0.87 -1.28 0.00 3.38 -0.74 -1.68 115.31 116.96 1orr h LEU 22 Ca 0.33 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 1orr h LEU 22 Cb -0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1orr h LEU 22 CO -0.09 0.76 -0.12 0.77 0.09 0.00 0.00 178.44 179.85 1orr h SER 23 N 0.95 0.32 -0.03 -0.43 4.64 -0.05 -2.52 113.55 116.43 1orr h SER 23 Ca 0.23 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1orr h SER 23 Cb 0.14 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1orr h SER 23 CO -0.03 0.48 0.00 0.00 -0.87 0.00 0.00 176.83 176.41 1orr n GLN 24 N -4.25 1.55 -2.12 4.77 1.13 -0.47 -4.92 117.38 113.07 1orr n GLN 24 Ca -0.00 -0.80 -0.09 0.00 -1.94 0.00 0.00 57.00 54.16 1orr n GLN 24 Cb 0.29 -1.47 -0.01 0.00 0.11 0.00 0.00 30.24 29.16 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 1.13 0.06 3.80 1.08 0.00 -0.94 -5.02 105.19 105.30 1orr n GLY 25 Ca 0.19 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.45 4.60 -0.28 -0.61 1.01 -0.86 -4.93 121.20 117.68 1orr s ILE 26 Ca 0.00 1.39 -0.29 0.00 0.00 0.00 0.00 60.65 61.75 1orr s ILE 26 Cb 0.00 -3.98 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 1orr s ILE 26 CO 0.00 0.53 1.51 -1.81 0.00 0.00 0.00 174.94 175.17 1orr s ASP 27 N -1.15 6.41 -0.03 3.58 1.01 -0.87 -4.62 116.67 121.00 1orr s ASP 27 Ca 0.32 1.35 0.02 0.00 0.71 0.00 0.00 52.55 54.94 1orr s ASP 27 Cb -0.21 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.16 1orr s ASP 27 CO 0.22 -1.27 -0.05 -0.22 0.21 0.00 0.00 175.17 174.05 1orr s LEU 28 N 5.15 3.26 -0.11 1.23 2.96 -1.26 -0.48 118.68 129.43 1orr s LEU 28 Ca 0.66 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.53 1orr s LEU 28 Cb -0.20 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.69 1orr s LEU 28 CO 0.28 0.31 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.84 1orr s ILE 29 N -0.95 1.52 -0.15 6.68 1.09 0.45 -2.05 121.20 127.79 1orr s ILE 29 Ca 0.16 -0.65 -0.01 0.00 -1.10 0.00 0.00 60.65 59.05 1orr s ILE 29 Cb -0.11 -1.39 -0.01 0.00 -1.06 0.00 0.00 42.46 39.89 1orr s ILE 29 CO 0.06 0.45 -0.12 -0.69 -0.10 0.00 0.00 174.94 174.54 1orr s VAL 30 N 1.04 3.05 -0.14 2.92 1.01 0.10 -0.10 120.40 128.27 1orr s VAL 30 Ca -0.05 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1orr s VAL 30 Cb -0.15 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.94 1orr s VAL 30 CO -0.03 0.50 -0.19 0.12 0.00 0.00 0.00 175.10 175.50 1orr s PHE 31 N 0.67 2.48 0.05 5.22 5.36 -0.54 -0.45 117.98 130.76 1orr s PHE 31 Ca -0.06 -1.29 -0.27 0.00 -0.96 0.00 0.00 56.93 54.35 1orr s PHE 31 Cb -0.15 -1.72 0.08 0.00 -0.34 0.00 0.00 43.02 40.88 1orr s PHE 31 CO 0.02 -0.62 0.69 0.34 -1.46 0.00 0.00 175.22 174.19 1orr s ASP 32 N 1.00 -0.56 0.00 6.13 -1.08 -1.00 0.36 116.67 121.52 1orr s ASP 32 Ca -0.04 0.27 0.22 0.00 -0.52 0.00 0.00 52.55 52.48 1orr s ASP 32 Cb -0.15 0.53 0.26 0.00 -1.46 0.00 0.00 42.92 42.10 1orr s ASP 32 CO -0.05 -0.76 1.25 -0.46 0.52 0.00 0.00 175.17 175.67 1orr n ASN 33 N 0.15 3.02 -2.15 -0.34 2.04 -1.09 -1.80 115.26 115.09 1orr n ASN 33 Ca -0.16 -1.93 -0.19 0.00 -0.44 0.00 0.00 54.58 51.86 1orr n ASN 33 Cb 0.61 -0.09 -0.01 0.00 -2.53 0.00 0.00 39.78 37.76 1orr n ASN 33 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1orr n LEU 34 N 1.28 -1.85 0.08 -4.53 4.77 -1.26 -4.91 117.00 110.58 1orr n LEU 34 Ca 0.15 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.00 1orr n LEU 34 Cb 0.56 -2.73 -0.05 0.00 -2.33 0.00 0.00 43.42 38.87 1orr n LEU 34 CO 0.14 -0.23 0.16 0.77 -1.33 0.00 0.00 177.39 176.90 1orr h SER 35 N 0.00 0.45 -3.65 -1.43 4.64 -1.98 -3.44 113.55 108.14 1orr h SER 35 Ca -0.45 -0.38 -0.52 0.00 -0.47 0.00 0.00 61.79 59.97 1orr h SER 35 Cb 1.33 -0.14 0.03 0.00 -0.31 0.00 0.00 62.40 63.31 1orr h SER 35 CO 0.54 1.20 0.55 -0.60 -0.87 0.00 0.00 176.83 177.64 1orr s ARG 36 N -3.15 4.51 0.11 4.77 6.06 -1.26 -4.97 118.95 125.03 1orr s ARG 36 Ca -0.05 1.92 -0.31 0.00 -2.50 0.00 0.00 55.73 54.79 1orr s ARG 36 Cb 0.09 -3.19 -0.09 0.00 0.06 0.00 0.00 34.95 31.82 1orr s ARG 36 CO 0.86 -0.02 1.51 0.15 -2.50 0.00 0.00 175.30 175.30 1orr s LYS 37 N -0.88 4.25 0.00 5.12 1.02 -1.26 -1.36 119.74 126.64 1orr s LYS 37 Ca 0.50 2.22 0.00 0.00 0.02 0.00 0.00 55.97 58.70 1orr s LYS 37 Cb -0.34 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 33.66 1orr s LYS 37 CO 0.41 -0.57 0.00 0.41 -0.92 0.00 0.00 175.35 174.68 1orr n GLY 38 N 3.70 2.17 0.29 -3.33 0.00 -1.26 -4.77 105.19 101.99 1orr n GLY 38 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 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 0.93 -0.39 4.61 0.00 -1.42 0.23 119.26 123.23 1orr h ALA 39 Ca 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1orr h ALA 39 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1orr h ALA 39 CO 0.00 0.38 -0.06 1.79 0.00 0.00 0.00 179.25 181.36 1orr h THR 40 N 1.00 1.23 -0.46 0.00 1.35 -1.85 0.25 112.91 114.42 1orr h THR 40 Ca 0.27 -1.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.07 1orr h THR 40 Cb -0.07 1.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.33 1orr h THR 40 CO -0.05 0.34 0.08 0.44 -0.25 0.00 0.00 175.52 176.08 1orr h ASP 41 N 0.60 0.73 -0.11 5.36 3.32 -1.74 -0.71 116.42 123.87 1orr h ASP 41 Ca 0.12 -0.26 -0.11 0.00 0.02 0.00 0.00 57.03 56.80 1orr h ASP 41 Cb 0.47 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1orr h ASP 41 CO 0.02 0.80 -0.28 0.78 -1.72 0.00 0.00 179.24 178.85 1orr h ASN 42 N 0.63 0.59 -0.60 6.45 2.35 -0.07 -0.46 115.58 124.46 1orr h ASN 42 Ca 0.14 -0.22 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 1orr h ASN 42 Cb 0.38 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1orr h ASN 42 CO 0.01 0.85 0.10 0.25 -1.65 0.00 0.00 177.43 176.98 1orr h LEU 43 N 0.50 0.95 -0.96 1.61 5.85 -0.12 -1.79 115.31 121.35 1orr h LEU 43 Ca 0.07 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.46 1orr h LEU 43 Cb 0.74 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1orr h LEU 43 CO 0.06 0.97 0.01 -0.74 -0.34 0.00 0.00 178.44 178.40 1orr h HIS 44 N 0.90 0.81 -0.19 1.25 2.76 -0.75 -1.93 115.15 118.00 1orr h HIS 44 Ca 0.18 -0.11 -0.03 0.00 -2.20 0.00 0.00 60.37 58.22 1orr h HIS 44 Cb 0.42 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 1orr h HIS 44 CO 0.03 0.75 0.02 2.35 -1.30 0.00 0.00 177.93 179.78 1orr h TRP 45 N 0.72 0.34 -0.05 5.26 7.01 -0.85 -3.00 115.95 125.39 1orr h TRP 45 Ca 0.14 -0.05 -0.07 0.00 2.11 0.00 0.00 58.89 61.02 1orr h TRP 45 Cb 0.43 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.39 1orr h TRP 45 CO 0.02 0.49 -0.28 -0.07 -2.79 0.00 0.00 178.44 175.82 1orr h LEU 46 N 0.10 0.09 -1.99 0.65 3.38 -1.24 -3.19 115.31 113.11 1orr h LEU 46 Ca 0.06 -0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.15 1orr h LEU 46 Cb 0.34 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1orr h LEU 46 CO 0.01 0.37 0.38 0.28 0.09 0.00 0.00 178.44 179.56 1orr h SER 47 N 0.08 0.01 0.31 -0.43 0.02 -1.19 -0.09 113.55 112.25 1orr h SER 47 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1orr h SER 47 Cb 0.54 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1orr h SER 47 CO 0.04 0.00 -0.25 -1.54 -1.14 0.00 0.00 176.83 173.94 1orr n SER 48 N -4.38 0.84 0.10 3.07 3.41 -1.20 -4.13 113.62 111.32 1orr n SER 48 Ca 0.10 -0.73 0.13 0.00 -0.26 0.00 0.00 58.87 58.10 1orr n SER 48 Cb 0.60 0.10 0.32 0.00 -0.26 0.00 0.00 64.21 64.96 1orr n SER 48 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1orr h LEU 49 N 0.92 0.00 0.00 1.04 3.38 -1.15 -3.49 115.31 116.00 1orr h LEU 49 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1orr h LEU 49 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1orr h LEU 49 CO 0.00 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.17 1orr n GLY 50 N 1.30 -0.96 3.83 0.83 0.00 -1.25 -4.79 105.19 104.15 1orr n GLY 50 Ca 0.05 -1.24 -0.38 0.00 0.00 0.00 0.00 46.02 44.45 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 0.00 6.83 0.27 1.61 0.01 -1.26 -4.81 114.94 117.60 1orr s ASN 51 Ca 0.00 0.99 -0.21 0.00 -0.71 0.00 0.00 52.86 52.93 1orr s ASN 51 Cb 0.00 -2.26 0.02 0.00 0.41 0.00 0.00 41.25 39.42 1orr s ASN 51 CO 0.00 0.31 0.71 0.72 -1.51 0.00 0.00 177.10 177.33 1orr s PHE 52 N -1.02 -0.18 -0.26 2.20 -0.12 -1.26 -4.75 117.98 112.59 1orr s PHE 52 Ca 0.24 -0.26 -0.11 0.00 -0.05 0.00 0.00 56.93 56.75 1orr s PHE 52 Cb -0.17 0.68 -0.05 0.00 -0.63 0.00 0.00 43.02 42.85 1orr s PHE 52 CO 0.14 -1.22 0.17 -1.21 -0.05 0.00 0.00 175.22 173.06 1orr s GLU 53 N -3.92 4.01 -0.21 1.99 0.41 -0.87 -5.02 118.70 115.09 1orr s GLU 53 Ca 0.11 -0.29 -0.07 0.00 -0.41 0.00 0.00 54.97 54.31 1orr s GLU 53 Cb -0.06 -3.60 -0.03 0.00 -1.78 0.00 0.00 34.13 28.66 1orr s GLU 53 CO 0.06 -0.05 0.05 0.12 -0.49 0.00 0.00 175.26 174.95 1orr s PHE 54 N 1.39 3.13 -0.24 1.61 5.36 -1.26 -0.72 117.98 127.25 1orr s PHE 54 Ca 0.07 -0.23 0.03 0.00 -0.96 0.00 0.00 56.93 55.84 1orr s PHE 54 Cb -0.15 -2.15 0.05 0.00 -0.34 0.00 0.00 43.02 40.44 1orr s PHE 54 CO 0.08 -0.14 -0.13 0.08 -1.46 0.00 0.00 175.22 173.65 1orr s VAL 55 N 1.03 2.14 0.08 3.12 1.01 0.40 -4.97 120.40 123.21 1orr s VAL 55 Ca 0.04 -1.50 -0.30 0.00 0.00 0.00 0.00 61.98 60.22 1orr s VAL 55 Cb -0.14 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 1orr s VAL 55 CO 0.03 0.08 1.04 -2.28 0.00 0.00 0.00 175.10 173.97 1orr s HIS 56 N 1.14 3.65 0.02 5.22 2.46 -1.26 -2.39 115.29 124.13 1orr s HIS 56 Ca -0.06 1.63 -0.29 0.00 0.47 0.00 0.00 55.06 56.81 1orr s HIS 56 Cb -0.19 -3.19 0.10 0.00 -0.13 0.00 0.00 32.58 29.17 1orr s HIS 56 CO -0.07 -0.32 1.09 0.20 -2.47 0.00 0.00 174.74 173.17 1orr s GLY 57 N 0.48 -0.34 -0.27 1.59 0.00 -0.75 -4.90 107.32 103.13 1orr s GLY 57 Ca 0.51 0.70 -0.07 0.00 0.00 0.00 0.00 44.72 45.87 1orr s GLY 57 CO 0.30 0.19 0.07 -0.35 0.00 0.00 0.00 173.10 173.31 1orr s ASP 58 N -2.75 5.06 0.62 1.64 -1.08 -1.26 -2.65 116.67 116.25 1orr s ASP 58 Ca 0.11 -0.50 0.35 0.00 -0.52 0.00 0.00 52.55 51.99 1orr s ASP 58 Cb 0.01 -1.89 2.02 0.00 -1.46 0.00 0.00 42.92 41.60 1orr s ASP 58 CO -0.03 -0.12 2.28 -0.29 0.52 0.00 0.00 175.17 177.53 1orr h ILE 59 N 5.73 0.34 0.00 4.11 6.09 -1.96 -0.37 117.51 131.44 1orr h ILE 59 Ca -0.35 0.00 -0.06 0.00 -1.37 0.00 0.00 64.86 63.08 1orr h ILE 59 Cb 1.15 0.98 -0.01 0.00 0.47 0.00 0.00 36.82 39.41 1orr h ILE 59 CO 0.60 0.00 -0.27 0.03 -3.07 0.00 0.00 178.15 175.43 1orr h ARG 60 N 0.00 0.00 -6.15 2.19 3.08 -1.88 -3.35 114.38 108.28 1orr h ARG 60 Ca 0.01 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1orr h ARG 60 Cb 0.04 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 29.99 1orr h ARG 60 CO -0.00 0.27 0.60 1.21 -1.07 0.00 0.00 179.97 180.99 1orr s ASN 61 N -6.48 6.59 0.24 7.04 3.84 -0.15 -4.76 114.94 121.26 1orr s ASN 61 Ca -0.02 0.34 -0.05 0.00 0.21 0.00 0.00 52.86 53.34 1orr s ASN 61 Cb 0.13 -2.46 0.34 0.00 -0.55 0.00 0.00 41.25 38.71 1orr s ASN 61 CO 0.66 -0.97 1.84 0.50 -2.79 0.00 0.00 177.10 176.34 1orr h LYS 62 N 8.81 0.88 -0.62 0.43 3.64 -1.85 -2.31 116.57 125.55 1orr h LYS 62 Ca -0.24 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.08 1orr h LYS 62 Cb 1.08 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 1orr h LYS 62 CO 1.01 0.58 0.34 -0.97 -2.27 0.00 0.00 179.45 178.14 1orr h ASN 63 N 0.91 0.77 -0.56 4.20 -1.24 -1.94 -0.73 115.58 116.99 1orr h ASN 63 Ca 0.38 -0.09 -0.02 0.00 0.71 0.00 0.00 56.30 57.27 1orr h ASN 63 Cb 0.22 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.05 1orr h ASN 63 CO -0.19 0.64 0.28 0.44 -1.29 0.00 0.00 177.43 177.30 1orr h ASP 64 N 0.84 0.73 -0.34 1.15 3.32 -1.76 -1.84 116.42 118.52 1orr h ASP 64 Ca 0.22 -0.12 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 1orr h ASP 64 Cb 0.04 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1orr h ASP 64 CO -0.03 0.65 -0.30 0.58 -1.72 0.00 0.00 179.24 178.41 1orr h VAL 65 N 0.76 1.29 -0.35 -1.35 2.07 -1.25 -1.95 116.25 115.47 1orr h VAL 65 Ca 0.19 -1.46 -0.04 0.00 0.82 0.00 0.00 66.70 66.21 1orr h VAL 65 Cb 0.11 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1orr h VAL 65 CO -0.03 0.48 0.07 0.74 0.02 0.00 0.00 177.57 178.86 1orr h THR 66 N 0.57 1.23 -0.50 2.57 2.02 -1.09 -2.16 112.91 115.55 1orr h THR 66 Ca 0.06 -0.78 -0.05 0.00 0.77 0.00 0.00 66.41 66.41 1orr h THR 66 Cb 0.87 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 1orr h THR 66 CO 0.08 0.26 0.11 0.03 0.37 0.00 0.00 175.52 176.37 1orr h ARG 67 N 0.41 0.76 -0.14 6.66 3.08 -1.35 -1.08 114.38 122.72 1orr h ARG 67 Ca 0.11 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1orr h ARG 67 Cb 0.32 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1orr h ARG 67 CO 0.00 0.70 0.08 1.25 -1.07 0.00 0.00 179.97 180.93 1orr h LEU 68 N 0.74 0.12 -0.23 3.04 5.85 -1.13 -0.22 115.31 123.48 1orr h LEU 68 Ca 0.16 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1orr h LEU 68 Cb 0.29 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1orr h LEU 68 CO -0.00 0.09 -0.02 0.40 -0.34 0.00 0.00 178.44 178.57 1orr h ILE 69 N 0.16 1.27 -0.08 4.05 1.08 -1.07 -1.69 117.51 121.22 1orr h ILE 69 Ca 0.06 -0.96 -0.10 0.00 -0.39 0.00 0.00 64.86 63.47 1orr h ILE 69 Cb 0.00 1.44 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 1orr h ILE 69 CO -0.03 0.30 -0.38 0.71 -0.69 0.00 0.00 178.15 178.05 1orr h THR 70 N 0.17 1.29 -0.01 -0.27 1.35 -1.13 0.19 112.91 114.50 1orr h THR 70 Ca 0.06 -1.42 -0.04 0.00 -0.55 0.00 0.00 66.41 64.45 1orr h THR 70 Cb 0.45 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1orr h THR 70 CO 0.02 0.42 -0.17 0.50 -0.25 0.00 0.00 175.52 176.04 1orr h LYS 71 N 0.15 0.13 0.00 4.72 3.64 -1.00 -3.37 116.57 120.84 1orr h LYS 71 Ca 0.01 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1orr h LYS 71 Cb 0.75 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1orr h LYS 71 CO 0.06 0.84 -1.32 0.66 -2.27 0.00 0.00 179.45 177.42 1orr n TYR 72 N -4.58 0.71 -4.05 1.91 4.02 -0.64 -5.00 117.16 109.52 1orr n TYR 72 Ca -0.09 0.21 -0.44 0.00 -0.01 0.00 0.00 57.90 57.56 1orr n TYR 72 Cb 0.45 -0.85 0.02 0.00 -0.02 0.00 0.00 39.34 38.93 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 -2.59 -0.39 -1.63 -0.72 2.81 0.65 -4.88 117.12 110.38 1orr n MET 73 Ca -0.02 0.16 -0.34 0.00 -1.81 0.00 0.00 57.70 55.69 1orr n MET 73 Cb 0.59 -2.43 0.07 0.00 -0.71 0.00 0.00 33.22 30.74 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 -7.13 2.52 0.09 0.03 0.04 -1.26 -4.92 135.00 124.36 1orr s PRO 74 Ca 0.43 1.57 0.16 0.00 0.04 0.00 0.00 61.00 63.19 1orr s PRO 74 Cb -0.24 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.29 1orr s PRO 74 CO 0.97 -1.50 0.94 -0.44 0.04 0.00 0.00 177.00 177.00 1orr h ASP 75 N -0.07 0.00 -5.10 6.66 3.32 -1.41 -3.42 116.42 116.41 1orr h ASP 75 Ca -0.47 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.45 1orr h ASP 75 Cb 1.27 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.65 1orr h ASP 75 CO 0.52 0.61 -0.53 -0.44 -1.72 0.00 0.00 179.24 177.68 1orr s SER 76 N -5.96 0.20 -0.11 6.45 0.01 -0.68 -1.17 113.70 112.44 1orr s SER 76 Ca -0.02 -0.57 -0.08 0.00 1.31 0.00 0.00 55.95 56.60 1orr s SER 76 Cb 0.08 0.23 0.04 0.00 0.21 0.00 0.00 66.02 66.58 1orr s SER 76 CO 0.80 -0.52 0.27 0.00 0.41 0.00 0.00 173.24 174.20 1orr s PHE 78 N 0.71 3.21 -0.86 0.00 0.08 -0.40 -0.97 117.98 119.75 1orr s PHE 78 Ca -0.05 -1.13 -0.17 0.00 0.12 0.00 0.00 56.93 55.70 1orr s PHE 78 Cb -0.06 -2.31 0.16 0.00 -0.57 0.00 0.00 43.02 40.24 1orr s PHE 78 CO -0.04 -0.65 0.95 -1.58 -0.10 0.00 0.00 175.22 173.80 1orr s HIS 79 N 1.48 3.37 -0.67 0.36 2.46 0.17 -1.46 115.29 121.00 1orr s HIS 79 Ca 0.01 -1.60 0.10 0.00 0.47 0.00 0.00 55.06 54.04 1orr s HIS 79 Cb -0.19 -4.07 -0.07 0.00 -0.13 0.00 0.00 32.58 28.12 1orr s HIS 79 CO 0.04 -1.27 0.52 1.28 -2.47 0.00 0.00 174.74 172.84 1orr n LEU 80 N 5.48 0.77 -4.63 8.88 4.77 -0.90 -3.42 117.00 127.96 1orr n LEU 80 Ca 0.17 -0.60 -0.43 0.00 -0.03 0.00 0.00 56.01 55.13 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 0.17 1.47 0.00 -1.33 0.00 0.00 177.39 178.14 1orr s ALA 81 N -1.77 3.29 0.36 -1.18 0.00 -1.08 -4.68 121.76 116.69 1orr s ALA 81 Ca 0.06 0.70 -0.16 0.00 0.00 0.00 0.00 51.96 52.56 1orr s ALA 81 Cb 0.08 -3.87 0.04 0.00 0.00 0.00 0.00 23.12 19.38 1orr s ALA 81 CO 0.37 -1.93 0.75 0.20 0.00 0.00 0.00 175.76 175.15 1orr s GLY 82 N 4.68 0.35 -0.43 0.00 0.00 -1.26 -4.84 107.32 105.82 1orr s GLY 82 Ca 0.78 -0.71 -0.17 0.00 0.00 0.00 0.00 44.72 44.62 1orr s GLY 82 CO 0.32 -0.31 0.46 1.62 0.00 0.00 0.00 173.10 175.18 1orr s GLN 83 N -2.69 3.09 0.07 2.90 -0.44 -1.26 -4.96 119.66 116.37 1orr s GLN 83 Ca 0.16 -0.79 0.24 0.00 -2.50 0.00 0.00 55.36 52.46 1orr s GLN 83 Cb -0.05 -3.99 0.22 0.00 -1.64 0.00 0.00 33.01 27.55 1orr s GLN 83 CO 0.11 -0.90 1.19 1.33 0.50 0.00 0.00 175.29 177.52 1orr n VAL 84 N 5.45 0.22 -4.08 1.34 0.24 -1.26 -4.92 118.33 115.32 1orr n VAL 84 Ca -0.07 -0.22 -0.34 0.00 -2.04 0.00 0.00 64.34 61.66 1orr n VAL 84 Cb 0.47 0.09 -0.10 0.00 -1.47 0.00 0.00 33.84 32.83 1orr n VAL 84 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1orr s ALA 85 N -3.16 3.35 0.08 2.33 0.00 -1.26 -4.95 121.76 118.16 1orr s ALA 85 Ca 0.06 -0.75 -0.20 0.00 0.00 0.00 0.00 51.96 51.06 1orr s ALA 85 Cb 0.14 -1.85 -0.10 0.00 0.00 0.00 0.00 23.12 21.32 1orr s ALA 85 CO 0.76 0.21 1.60 1.98 0.00 0.00 0.00 175.76 180.31 1orr h MET 86 N 6.58 0.28 -0.18 0.00 4.05 -1.91 -1.75 114.93 122.00 1orr h MET 86 Ca -0.37 -0.06 0.05 0.00 -0.28 0.00 0.00 59.70 59.04 1orr h MET 86 Cb 1.17 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.88 1orr h MET 86 CO 0.69 0.38 -0.16 1.79 0.23 0.00 0.00 176.91 179.84 1orr h THR 87 N 0.12 0.57 -0.37 -0.77 1.35 -1.94 -0.48 112.91 111.38 1orr h THR 87 Ca 0.06 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.93 1orr h THR 87 Cb 0.21 0.57 -0.02 0.00 -1.73 0.00 0.00 68.15 67.18 1orr h THR 87 CO -0.00 0.00 0.25 0.74 -0.25 0.00 0.00 175.52 176.26 1orr h THR 88 N -0.17 1.07 0.00 6.82 2.02 -1.92 0.01 112.91 120.74 1orr h THR 88 Ca 0.11 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 1orr h THR 88 Cb 0.34 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1orr h THR 88 CO -0.28 0.09 -0.18 0.77 0.37 0.00 0.00 175.52 176.28 1orr h SER 89 N 0.47 0.00 0.85 4.18 4.64 -0.16 0.16 113.55 123.69 1orr h SER 89 Ca 0.14 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.24 1orr h SER 89 Cb -0.01 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1orr h SER 89 CO -0.03 0.18 -1.03 0.40 -0.87 0.00 0.00 176.83 175.48 1orr h ILE 90 N 0.00 1.63 0.00 0.95 2.04 -0.42 -2.26 117.51 119.45 1orr h ILE 90 Ca -0.00 -3.19 -0.10 0.00 1.00 0.00 0.00 64.86 62.57 1orr h ILE 90 Cb 0.36 2.80 -0.01 0.00 -0.74 0.00 0.00 36.82 39.23 1orr h ILE 90 CO 0.02 0.92 -0.52 -0.78 0.00 0.00 0.00 178.15 177.79 1orr h ASP 91 N 0.03 0.00 -1.46 1.72 3.58 -0.70 -3.40 116.42 116.19 1orr h ASP 91 Ca -0.04 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 56.94 1orr h ASP 91 Cb 1.76 0.00 -0.32 0.00 1.72 0.00 0.00 39.33 42.49 1orr h ASP 91 CO 0.15 0.45 -0.94 -3.20 -2.88 0.00 0.00 179.24 172.81 1orr n ASN 92 N -3.18 -0.68 0.24 2.28 2.85 0.50 -4.96 115.26 112.32 1orr n ASN 92 Ca 0.01 -2.86 0.08 0.00 -0.11 0.00 0.00 54.58 51.70 1orr n ASN 92 Cb 0.72 0.04 0.60 0.00 1.24 0.00 0.00 39.78 42.38 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 4.01 0.00 -0.07 1.20 0.13 -1.62 -2.13 132.00 133.51 1orr h PRO 93 Ca 0.01 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1orr h PRO 93 Cb 0.92 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 1orr h PRO 93 CO 0.42 0.10 0.03 0.00 -0.23 0.00 0.00 178.00 178.33 1orr h MET 95 N -0.03 1.17 -0.75 0.00 1.85 -1.85 -1.22 114.93 114.10 1orr h MET 95 Ca 0.02 -0.25 -0.01 0.00 -0.61 0.00 0.00 59.70 58.85 1orr h MET 95 Cb 0.15 -0.17 -0.04 0.00 0.43 0.00 0.00 31.60 31.98 1orr h MET 95 CO -0.00 0.99 0.41 0.22 -0.40 0.00 0.00 176.91 178.14 1orr h ASP 96 N 1.12 0.94 -0.12 1.39 1.82 -1.25 -1.05 116.42 119.27 1orr h ASP 96 Ca 0.24 -0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.77 1orr h ASP 96 Cb 0.31 -0.24 -0.00 0.00 0.68 0.00 0.00 39.33 40.08 1orr h ASP 96 CO -0.01 0.76 0.02 0.15 -1.61 0.00 0.00 179.24 178.56 1orr h PHE 97 N 1.04 0.21 -0.87 0.28 3.57 -0.85 -1.30 116.94 119.02 1orr h PHE 97 Ca 0.26 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 1orr h PHE 97 Cb 0.03 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 1orr h PHE 97 CO -0.00 0.39 0.53 0.93 -2.23 0.00 0.00 178.31 177.93 1orr h GLU 98 N -0.02 1.18 0.23 1.11 5.08 -0.93 -0.16 114.58 121.08 1orr h GLU 98 Ca 0.04 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1orr h GLU 98 Cb 0.29 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1orr h GLU 98 CO 0.00 0.83 -0.11 0.82 -1.00 0.00 0.00 179.01 179.55 1orr h ILE 99 N 1.20 0.42 -0.13 3.13 2.04 -1.20 -0.18 117.51 122.78 1orr h ILE 99 Ca 0.31 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 1orr h ILE 99 Cb -0.05 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1orr h ILE 99 CO -0.06 0.11 -0.16 0.78 0.00 0.00 0.00 178.15 178.82 1orr h ASN 100 N -1.00 0.37 0.00 1.72 2.35 -1.27 -2.40 115.58 115.35 1orr h ASN 100 Ca -0.03 -0.50 -0.08 0.00 -0.55 0.00 0.00 56.30 55.14 1orr h ASN 100 Cb 0.43 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1orr h ASN 100 CO 0.05 0.80 -0.60 0.58 -1.65 0.00 0.00 177.43 176.61 1orr h VAL 101 N -0.05 0.58 -0.42 2.81 2.07 -1.21 -3.20 116.25 116.83 1orr h VAL 101 Ca 0.02 -1.60 0.04 0.00 0.82 0.00 0.00 66.70 65.98 1orr h VAL 101 Cb 0.71 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 1orr h VAL 101 CO 0.04 0.20 0.20 1.23 0.02 0.00 0.00 177.57 179.25 1orr h GLY 102 N -1.00 0.57 1.00 2.17 0.00 -1.16 -0.43 103.07 104.22 1orr h GLY 102 Ca -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1orr h GLY 102 CO -0.07 0.08 0.35 -1.33 0.00 0.00 0.00 176.54 175.57 1orr h GLY 103 N 0.40 0.75 1.02 4.60 0.00 -0.49 0.13 103.07 109.48 1orr h GLY 103 Ca 0.19 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 1orr h GLY 103 CO -0.15 0.28 0.02 -0.84 0.00 0.00 0.00 176.54 175.85 1orr h THR 104 N 0.73 1.26 -0.17 4.70 2.02 -1.48 -1.49 112.91 118.47 1orr h THR 104 Ca 0.20 -1.06 -0.10 0.00 0.77 0.00 0.00 66.41 66.22 1orr h THR 104 Cb -0.08 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1orr h THR 104 CO -0.04 0.38 -0.32 -0.07 0.37 0.00 0.00 175.52 175.83 1orr h LEU 105 N 0.77 0.35 -0.55 2.58 -0.00 -0.86 0.15 115.31 117.74 1orr h LEU 105 Ca 0.15 -0.13 0.02 0.00 -0.00 0.00 0.00 57.88 57.92 1orr h LEU 105 Cb 0.50 -0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 41.03 1orr h LEU 105 CO 0.02 0.66 0.34 0.78 -0.00 0.00 0.00 178.44 180.25 1orr h ASN 106 N 0.30 0.56 -0.05 -0.43 2.35 -0.15 -0.12 115.58 118.05 1orr h ASN 106 Ca 0.04 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1orr h ASN 106 Cb 0.72 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 1orr h ASN 106 CO 0.05 0.40 -0.00 0.25 -1.65 0.00 0.00 177.43 176.48 1orr h LEU 107 N 0.68 0.09 -0.97 1.61 5.85 -0.90 -2.17 115.31 119.51 1orr h LEU 107 Ca 0.22 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.63 1orr h LEU 107 Cb -0.00 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 1orr h LEU 107 CO -0.09 0.39 0.64 -0.07 -0.34 0.00 0.00 178.44 178.97 1orr h LEU 108 N -0.21 1.09 -0.49 2.25 3.38 -0.48 -0.60 115.31 120.26 1orr h LEU 108 Ca 0.01 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1orr h LEU 108 Cb 0.35 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1orr h LEU 108 CO 0.00 0.78 0.08 -0.33 0.09 0.00 0.00 178.44 179.06 1orr h GLU 109 N 1.28 0.82 -0.46 1.13 4.39 -1.00 0.14 114.58 120.89 1orr h GLU 109 Ca 0.36 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 1orr h GLU 109 Cb -0.11 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.43 1orr h GLU 109 CO -0.09 0.82 0.20 0.00 -1.16 0.00 0.00 179.01 178.78 1orr h ALA 110 N 0.97 0.59 -0.37 3.43 0.00 -0.93 -0.65 119.26 122.30 1orr h ALA 110 Ca 0.15 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1orr h ALA 110 Cb 0.40 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1orr h ALA 110 CO 0.01 0.17 0.03 0.28 0.00 0.00 0.00 179.25 179.74 1orr h VAL 111 N 0.59 1.25 -0.63 0.00 2.07 -1.02 0.18 116.25 118.69 1orr h VAL 111 Ca 0.15 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.79 1orr h VAL 111 Cb 0.15 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1orr h VAL 111 CO -0.02 0.31 0.38 -0.09 0.02 0.00 0.00 177.57 178.17 1orr h ARG 112 N 0.46 0.72 0.00 1.57 2.43 -0.46 -0.70 114.38 118.39 1orr h ARG 112 Ca 0.11 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 59.02 1orr h ARG 112 Cb 0.41 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1orr h ARG 112 CO 0.01 0.47 -1.13 1.96 -1.51 0.00 0.00 179.97 179.78 1orr h GLN 113 N 0.74 0.00 0.00 0.20 4.20 -1.04 -3.40 115.11 115.81 1orr h GLN 113 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1orr h GLN 113 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1orr h GLN 113 CO -0.12 0.77 0.00 0.66 -0.67 0.00 0.00 178.83 179.47 1orr n TYR 114 N -3.23 0.00 -2.79 2.96 4.02 0.61 -4.89 117.16 113.83 1orr n TYR 114 Ca -0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.75 1orr n TYR 114 Cb 0.93 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 40.33 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 -0.53 -1.60 0.09 7.72 5.15 -0.42 -4.98 115.26 120.69 1orr n ASN 115 Ca 0.00 -3.33 0.06 0.00 -0.60 0.00 0.00 54.58 50.71 1orr n ASN 115 Cb 0.02 1.26 0.31 0.00 -0.53 0.00 0.00 39.78 40.84 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 0.16 0.29 -0.17 1.20 3.41 -0.40 -2.25 113.62 115.86 1orr n SER 116 Ca 0.07 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.44 1orr n SER 116 Cb 0.73 -0.67 0.18 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.89 1.03 -4.63 4.04 3.02 -1.26 -4.56 115.26 111.00 1orr n ASN 117 Ca -0.01 -0.82 -0.50 0.00 -0.03 0.00 0.00 54.58 53.22 1orr n ASN 117 Cb 0.02 0.39 -0.05 0.00 -0.61 0.00 0.00 39.78 39.53 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 0.95 7.38 -0.05 0.00 0.01 -0.32 -4.16 114.94 118.73 1orr s ASN 119 Ca 0.84 1.64 0.02 0.00 -0.71 0.00 0.00 52.86 54.65 1orr s ASN 119 Cb -0.87 -2.52 0.02 0.00 0.41 0.00 0.00 41.25 38.28 1orr s ASN 119 CO 0.45 0.04 -0.09 -0.63 -1.51 0.00 0.00 177.10 175.37 1orr s ILE 120 N -0.36 0.88 -0.17 0.60 1.01 0.10 -0.16 121.20 123.10 1orr s ILE 120 Ca 0.41 -0.34 -0.02 0.00 0.00 0.00 0.00 60.65 60.70 1orr s ILE 120 Cb -0.22 -0.83 -0.01 0.00 0.01 0.00 0.00 42.46 41.41 1orr s ILE 120 CO 0.27 0.30 -0.08 -0.63 0.00 0.00 0.00 174.94 174.79 1orr s ILE 121 N 0.69 3.26 -0.14 2.92 1.01 -0.15 -0.37 121.20 128.42 1orr s ILE 121 Ca -0.12 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 59.94 1orr s ILE 121 Cb -0.15 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 1orr s ILE 121 CO 0.02 0.48 -0.04 -0.47 0.00 0.00 0.00 174.94 174.93 1orr s TYR 122 N 0.85 3.03 -0.70 3.97 5.04 0.33 -0.66 117.35 129.21 1orr s TYR 122 Ca -0.02 -0.21 -0.18 0.00 -2.44 0.00 0.00 57.07 54.21 1orr s TYR 122 Cb -0.15 -1.91 0.13 0.00 0.35 0.00 0.00 41.96 40.38 1orr s TYR 122 CO 0.01 0.06 0.81 -1.54 -1.34 0.00 0.00 175.55 173.54 1orr s SER 123 N 0.10 6.37 0.36 4.32 1.04 -1.22 -1.13 113.70 123.53 1orr s SER 123 Ca -0.01 -1.75 0.00 0.00 0.48 0.00 0.00 55.95 54.67 1orr s SER 123 Cb -0.14 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1orr s SER 123 CO 0.03 -1.03 0.00 -0.24 0.98 0.00 0.00 173.24 172.98 1orr n SER 124 N 6.02 0.00 -4.05 7.02 2.88 0.85 -4.97 113.62 121.37 1orr n SER 124 Ca 0.01 -0.61 -0.07 0.00 -1.33 0.00 0.00 58.87 56.86 1orr n SER 124 Cb 0.45 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.81 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 0.22 0.20 -0.44 2.46 -1.32 -1.26 -2.73 115.64 112.77 1orr s THR 125 Ca 0.00 -1.68 0.25 0.00 -1.21 0.00 0.00 61.69 59.04 1orr s THR 125 Cb 0.00 -1.46 0.26 0.00 -1.51 0.00 0.00 72.50 69.79 1orr s THR 125 CO 0.00 -0.93 1.74 -0.55 -2.21 0.00 0.00 174.62 172.67 1orr h ASN 126 N 3.12 0.00 0.31 8.08 7.08 -1.63 -2.72 115.58 129.82 1orr h ASN 126 Ca -0.34 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.88 1orr h ASN 126 Cb 1.15 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.39 1orr h ASN 126 CO 0.64 0.00 0.00 0.29 -2.08 0.00 0.00 177.43 176.28 1orr n LYS 127 N -2.31 0.02 0.00 4.14 5.02 -1.26 -1.80 118.16 121.97 1orr n LYS 127 Ca 0.02 0.38 0.08 0.00 -2.02 0.00 0.00 58.31 56.76 1orr n LYS 127 Cb 0.25 -1.55 0.35 0.00 -0.02 0.00 0.00 35.03 34.05 1orr n LYS 127 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1orr n VAL 128 N -1.60 0.86 1.26 -0.18 0.24 -1.02 -2.45 118.33 115.43 1orr n VAL 128 Ca 0.02 0.22 0.13 0.00 -2.04 0.00 0.00 64.34 62.66 1orr n VAL 128 Cb 0.11 -0.95 0.35 0.00 -1.47 0.00 0.00 33.84 31.88 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 -1.47 0.00 -3.74 6.34 0.53 -0.74 -1.22 117.16 116.86 1orr n TYR 129 Ca 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.92 1orr n TYR 129 Cb 0.18 -0.08 0.00 0.00 -1.03 0.00 0.00 39.34 38.41 1orr n TYR 129 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1orr n GLY 130 N 1.32 -0.84 0.08 2.72 0.00 -0.28 -4.08 105.19 104.10 1orr n GLY 130 Ca 0.13 -1.24 0.13 0.00 0.00 0.00 0.00 46.02 45.04 1orr n GLY 130 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1orr n ASP 131 N 0.57 0.71 -2.31 1.61 5.68 -1.26 -4.69 116.55 116.86 1orr n ASP 131 Ca 0.00 0.44 -0.19 0.00 -0.50 0.00 0.00 54.79 54.54 1orr n ASP 131 Cb 0.00 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 1orr n ASP 131 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1orr n LEU 132 N -2.14 -2.05 -0.00 -2.12 4.77 -1.26 -4.40 117.00 109.80 1orr n LEU 132 Ca 0.05 -0.08 0.15 0.00 -0.03 0.00 0.00 56.01 56.10 1orr n LEU 132 Cb 0.42 -2.72 0.72 0.00 -2.33 0.00 0.00 43.42 39.51 1orr n LEU 132 CO 0.32 -0.09 1.00 -0.62 -1.33 0.00 0.00 177.39 176.66 1orr n GLU 133 N -3.05 0.34 0.03 3.23 -0.58 -1.26 -3.26 120.64 116.09 1orr n GLU 133 Ca -0.19 -0.01 0.09 0.00 -0.42 0.00 0.00 57.16 56.63 1orr n GLU 133 Cb 0.65 -1.50 0.38 0.00 -0.57 0.00 0.00 31.44 30.40 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 -1.32 0.05 -3.65 3.49 0.00 -1.26 -4.76 117.38 109.92 1orr n GLN 134 Ca 0.13 0.26 -0.20 0.00 0.00 0.00 0.00 57.00 57.19 1orr n GLN 134 Cb 0.27 -1.58 -0.02 0.00 0.00 0.00 0.00 30.24 28.91 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 -3.06 3.13 -0.17 2.61 1.51 -1.20 -5.11 117.35 115.05 1orr s TYR 135 Ca 0.07 -0.20 -0.10 0.00 -1.01 0.00 0.00 57.07 55.84 1orr s TYR 135 Cb 0.10 -1.86 -0.05 0.00 -0.11 0.00 0.00 41.96 40.05 1orr s TYR 135 CO 0.32 0.13 0.16 0.15 -1.11 0.00 0.00 175.55 175.20 1orr s LYS 136 N -4.09 3.99 0.44 -0.62 3.01 -1.26 -5.05 119.74 116.16 1orr s LYS 136 Ca 0.42 -0.15 0.06 0.00 -1.01 0.00 0.00 55.97 55.28 1orr s LYS 136 Cb -0.09 -3.36 -0.05 0.00 -1.01 0.00 0.00 37.83 33.33 1orr s LYS 136 CO 0.30 0.43 0.08 0.71 0.51 0.00 0.00 175.35 177.37 1orr s TYR 137 N -0.03 2.35 -0.01 3.18 1.51 -1.26 -0.75 117.35 122.34 1orr s TYR 137 Ca 0.11 -0.72 0.00 0.00 -1.01 0.00 0.00 57.07 55.45 1orr s TYR 137 Cb -0.12 -1.80 0.02 0.00 -0.11 0.00 0.00 41.96 39.95 1orr s TYR 137 CO 0.01 0.28 0.01 -0.80 -1.11 0.00 0.00 175.55 173.93 1orr s ASN 138 N -3.83 0.13 -0.07 2.29 0.01 0.57 -4.82 114.94 109.22 1orr s ASN 138 Ca 0.30 0.01 -0.05 0.00 -0.71 0.00 0.00 52.86 52.41 1orr s ASN 138 Cb 0.06 -0.07 -0.04 0.00 0.41 0.00 0.00 41.25 41.61 1orr s ASN 138 CO 0.16 -0.07 0.16 -0.70 -1.51 0.00 0.00 177.10 175.14 1orr s GLU 139 N 0.64 3.44 0.22 -0.60 2.12 -1.26 0.15 118.70 123.41 1orr s GLU 139 Ca -0.06 -0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.08 1orr s GLU 139 Cb -0.08 -3.15 -0.00 0.00 0.26 0.00 0.00 34.13 31.15 1orr s GLU 139 CO -0.02 0.74 0.04 0.25 -0.54 0.00 0.00 175.26 175.73 1orr n THR 140 N 1.54 0.00 0.24 -1.70 -2.24 0.02 -4.98 114.28 107.17 1orr n THR 140 Ca -0.16 -1.17 0.10 0.00 -2.27 0.00 0.00 64.05 60.55 1orr n THR 140 Cb 0.54 0.35 0.62 0.00 -2.10 0.00 0.00 70.33 69.74 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 4.39 -2.03 -3.33 114.58 112.83 1orr h GLU 141 Ca -0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1orr h GLU 141 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1orr h GLU 141 CO 0.28 0.17 -0.28 0.25 -1.16 0.00 0.00 179.01 178.27 1orr n THR 142 N -3.77 0.00 -3.85 1.13 -2.24 -1.26 -5.05 114.28 99.24 1orr n THR 142 Ca -0.02 -0.34 -0.07 0.00 -2.27 0.00 0.00 64.05 61.36 1orr n THR 142 Cb 0.28 0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 69.34 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 -1.25 1.78 0.12 -0.78 1.70 -1.25 -4.46 118.95 114.81 1orr s ARG 143 Ca 0.00 -0.99 0.01 0.00 -0.47 0.00 0.00 55.73 54.28 1orr s ARG 143 Cb 0.00 0.60 -0.04 0.00 -0.57 0.00 0.00 34.95 34.94 1orr s ARG 143 CO 0.00 -0.82 0.26 0.71 -1.08 0.00 0.00 175.30 174.37 1orr s TYR 144 N -3.81 3.50 -0.02 5.89 1.51 -0.41 -0.79 117.35 123.22 1orr s TYR 144 Ca 0.11 0.17 0.03 0.00 -1.01 0.00 0.00 57.07 56.38 1orr s TYR 144 Cb -0.06 -1.71 -0.00 0.00 -0.11 0.00 0.00 41.96 40.08 1orr s TYR 144 CO 0.07 0.54 -0.12 0.99 -1.11 0.00 0.00 175.55 175.92 1orr s THR 145 N -1.66 0.96 -0.57 -0.71 2.01 0.38 -4.77 115.64 111.29 1orr s THR 145 Ca 0.35 -0.49 -0.20 0.00 0.31 0.00 0.00 61.69 61.66 1orr s THR 145 Cb -0.12 -0.83 0.08 0.00 0.01 0.00 0.00 72.50 71.65 1orr s THR 145 CO 0.28 0.28 0.71 0.00 -0.69 0.00 0.00 174.62 175.21 1orr h VAL 147 N 5.91 0.69 0.00 0.00 2.07 -1.26 -2.11 116.25 121.56 1orr h VAL 147 Ca -0.29 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1orr h VAL 147 Cb 1.09 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1orr h VAL 147 CO 1.06 0.06 0.00 0.47 0.02 0.00 0.00 177.57 179.18 1orr n ASP 148 N -5.07 0.37 -3.20 0.57 8.00 -1.25 -4.32 116.55 111.64 1orr n ASP 148 Ca 0.09 0.54 -0.24 0.00 0.71 0.00 0.00 54.79 55.88 1orr n ASP 148 Cb 0.31 -0.64 -0.07 0.00 -0.02 0.00 0.00 41.12 40.70 1orr n ASP 148 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1orr n LYS 149 N -1.85 0.82 0.18 -1.24 4.76 -0.80 -4.93 118.16 115.10 1orr n LYS 149 Ca 0.06 -3.30 0.15 0.00 -2.87 0.00 0.00 58.31 52.35 1orr n LYS 149 Cb 0.38 -1.27 0.75 0.00 -1.84 0.00 0.00 35.03 33.05 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 4.00 0.00 -0.36 1.97 0.13 -1.73 -1.67 132.00 134.34 1orr h PRO 150 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1orr h PRO 150 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1orr h PRO 150 CO 0.48 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.34 1orr n ASN 151 N -4.16 3.36 0.00 1.44 3.02 -1.26 -4.96 115.26 112.71 1orr n ASN 151 Ca 0.02 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 1orr n ASN 151 Cb 0.29 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 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 1.40 -2.29 3.74 7.41 0.00 -0.63 -3.95 105.19 110.87 1orr n GLY 152 Ca 0.18 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.64 3.22 0.19 1.61 1.51 0.56 -4.56 117.35 119.24 1orr s TYR 153 Ca 0.00 0.19 0.02 0.00 -1.01 0.00 0.00 57.07 56.27 1orr s TYR 153 Cb 0.00 -1.75 0.02 0.00 -0.11 0.00 0.00 41.96 40.12 1orr s TYR 153 CO 0.00 0.52 0.17 -0.40 -1.11 0.00 0.00 175.55 174.73 1orr n ASP 154 N 1.55 1.41 0.24 2.29 5.68 -1.26 -1.04 116.55 125.42 1orr n ASP 154 Ca -0.15 -1.63 0.17 0.00 -0.50 0.00 0.00 54.79 52.67 1orr n ASP 154 Cb 0.53 -0.04 0.79 0.00 -1.14 0.00 0.00 41.12 41.26 1orr n ASP 154 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1orr h GLU 155 N 0.00 0.00 -0.01 0.11 3.07 -1.93 -2.63 114.58 113.18 1orr h GLU 155 Ca -0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 1orr h GLU 155 Cb 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1orr h GLU 155 CO 0.18 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.66 1orr n SER 156 N -2.74 0.39 -4.77 1.42 3.41 -1.26 -4.85 113.62 105.22 1orr n SER 156 Ca -0.01 -1.23 -0.40 0.00 -0.26 0.00 0.00 58.87 56.97 1orr n SER 156 Cb 0.16 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.09 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 -1.98 2.78 0.32 6.66 2.01 -0.99 -4.94 115.64 119.50 1orr s THR 157 Ca 0.41 0.73 -0.29 0.00 0.31 0.00 0.00 61.69 62.84 1orr s THR 157 Cb 0.19 -3.44 -0.11 0.00 0.01 0.00 0.00 72.50 69.16 1orr s THR 157 CO 0.32 0.13 1.44 -1.58 -0.69 0.00 0.00 174.62 174.24 1orr s GLN 158 N -2.06 4.22 0.21 4.92 2.00 -1.26 -4.97 119.66 122.72 1orr s GLN 158 Ca 0.53 2.41 -0.29 0.00 -2.00 0.00 0.00 55.36 56.01 1orr s GLN 158 Cb -0.37 -3.04 -0.08 0.00 0.80 0.00 0.00 33.01 30.32 1orr s GLN 158 CO 0.48 -0.42 0.91 -0.51 -0.50 0.00 0.00 175.29 175.25 1orr s LEU 159 N -1.42 4.62 -0.35 3.68 1.43 -1.26 -4.63 118.68 120.75 1orr s LEU 159 Ca 0.54 1.86 0.01 0.00 -1.03 0.00 0.00 54.13 55.51 1orr s LEU 159 Cb -0.44 -3.54 0.19 0.00 0.03 0.00 0.00 46.19 42.43 1orr s LEU 159 CO 0.54 0.14 0.79 -0.62 0.23 0.00 0.00 176.35 177.43 1orr s ASP 160 N -1.02 -1.09 -0.23 2.29 2.15 -0.36 -4.99 116.67 113.42 1orr s ASP 160 Ca 0.41 -0.33 -0.29 0.00 0.43 0.00 0.00 52.55 52.76 1orr s ASP 160 Cb -0.25 1.48 -0.02 0.00 -0.30 0.00 0.00 42.92 43.83 1orr s ASP 160 CO 0.30 -0.15 1.45 -0.36 -0.17 0.00 0.00 175.17 176.25 1orr s PHE 161 N 2.20 2.41 -0.14 -5.34 2.99 -1.25 -1.13 117.98 117.73 1orr s PHE 161 Ca 0.16 0.70 -0.03 0.00 0.00 0.00 0.00 56.93 57.77 1orr s PHE 161 Cb -0.03 -3.87 -0.02 0.00 0.00 0.00 0.00 43.02 39.09 1orr s PHE 161 CO -0.15 -2.39 -0.06 -1.01 -0.00 0.00 0.00 175.22 171.61 1orr s HIS 162 N 4.54 2.97 0.00 0.36 3.76 -1.25 -4.61 115.29 121.06 1orr s HIS 162 Ca 0.64 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 55.19 1orr s HIS 162 Cb -0.22 -1.91 0.00 0.00 1.11 0.00 0.00 32.58 31.55 1orr s HIS 162 CO 0.25 -0.05 0.00 -1.13 -0.85 0.00 0.00 174.74 172.96 1orr n SER 163 N 3.44 0.00 -0.26 1.40 3.41 -1.26 -3.08 113.62 117.26 1orr n SER 163 Ca -0.18 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.44 1orr n SER 163 Cb 0.53 0.39 0.22 0.00 -0.26 0.00 0.00 64.21 65.09 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 1.05 -0.60 4.33 0.11 -1.90 0.16 132.00 135.14 1orr h PRO 164 Ca 0.00 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1orr h PRO 164 Cb 0.00 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 30.85 1orr h PRO 164 CO 0.00 0.69 0.32 -0.92 -0.21 0.00 0.00 178.00 177.88 1orr h TYR 165 N 1.08 0.84 -0.64 0.65 3.20 -1.85 0.77 116.97 121.02 1orr h TYR 165 Ca 0.32 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.11 1orr h TYR 165 Cb -0.05 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 37.93 1orr h TYR 165 CO -0.00 0.62 0.21 0.78 -1.64 0.00 0.00 178.16 178.13 1orr h GLY 166 N 0.82 1.04 1.07 1.82 0.00 -1.03 -0.80 103.07 105.99 1orr h GLY 166 Ca 0.21 -0.58 -0.14 0.00 0.00 0.00 0.00 47.33 46.82 1orr h GLY 166 CO -0.03 0.54 -0.31 0.00 0.00 0.00 0.00 176.54 176.75 1orr h SER 168 N 0.68 0.12 -0.67 0.00 4.64 -0.70 -0.45 113.55 117.18 1orr h SER 168 Ca 0.07 -0.53 -0.04 0.00 -0.47 0.00 0.00 61.79 60.82 1orr h SER 168 Cb 0.89 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.91 1orr h SER 168 CO 0.08 0.63 0.27 0.11 -0.87 0.00 0.00 176.83 177.05 1orr h LYS 169 N -0.38 1.00 -0.64 4.77 1.79 -1.23 -1.84 116.57 120.04 1orr h LYS 169 Ca 0.00 -0.18 -0.03 0.00 -2.18 0.00 0.00 60.65 58.26 1orr h LYS 169 Cb 0.61 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 31.06 1orr h LYS 169 CO 0.01 0.83 0.28 0.78 -1.08 0.00 0.00 179.45 180.28 1orr h GLY 170 N 0.95 1.02 1.03 3.86 0.00 -0.87 0.28 103.07 109.34 1orr h GLY 170 Ca 0.22 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 1orr h GLY 170 CO -0.02 0.50 0.13 0.00 0.00 0.00 0.00 176.54 177.16 1orr h ALA 171 N 1.12 0.81 -0.65 3.60 0.00 -0.91 -1.00 119.26 122.24 1orr h ALA 171 Ca 0.22 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1orr h ALA 171 Cb 0.17 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1orr h ALA 171 CO -0.02 0.54 0.14 0.00 0.00 0.00 0.00 179.25 179.91 1orr h ALA 172 N 1.04 1.02 0.12 0.00 0.00 -0.99 -0.66 119.26 119.78 1orr h ALA 172 Ca 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1orr h ALA 172 Cb 0.38 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1orr h ALA 172 CO 0.01 0.63 -0.06 0.22 0.00 0.00 0.00 179.25 180.05 1orr h ASP 173 N 0.98 -0.13 -0.69 0.00 1.82 -0.63 -0.37 116.42 117.39 1orr h ASP 173 Ca 0.20 -0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 56.77 1orr h ASP 173 Cb 0.37 0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.38 1orr h ASP 173 CO 0.00 -0.05 0.30 1.56 -1.61 0.00 0.00 179.24 179.44 1orr h GLN 174 N -0.20 1.04 -0.60 0.28 1.08 -1.04 -2.52 115.11 113.15 1orr h GLN 174 Ca -0.02 -0.17 -0.09 0.00 -1.45 0.00 0.00 58.65 56.92 1orr h GLN 174 Cb 0.16 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 1orr h GLN 174 CO 0.03 0.84 0.02 1.88 -0.95 0.00 0.00 178.83 180.64 1orr h TYR 175 N 1.03 1.11 -0.28 2.96 -1.99 -0.82 -0.27 116.97 118.70 1orr h TYR 175 Ca 0.24 -0.18 0.03 0.00 2.00 0.00 0.00 58.73 60.82 1orr h TYR 175 Cb 0.18 -0.29 -0.03 0.00 2.00 0.00 0.00 36.73 38.58 1orr h TYR 175 CO 0.02 0.97 0.09 0.52 -0.00 0.00 0.00 178.16 179.76 1orr h MET 176 N 0.94 0.21 -0.57 4.88 2.86 -0.73 0.21 114.93 122.73 1orr h MET 176 Ca 0.17 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.75 1orr h MET 176 Cb 0.52 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 1orr h MET 176 CO 0.03 0.14 0.17 -0.07 1.06 0.00 0.00 176.91 178.23 1orr h LEU 177 N 0.21 0.84 -0.73 1.22 3.38 -1.28 -2.97 115.31 115.99 1orr h LEU 177 Ca 0.13 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 1orr h LEU 177 Cb 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1orr h LEU 177 CO -0.14 0.84 -0.46 -0.78 0.09 0.00 0.00 178.44 177.99 1orr h ASP 178 N 0.81 0.45 0.27 -0.43 3.58 -0.75 -2.66 116.42 117.70 1orr h ASP 178 Ca 0.18 -0.21 -0.04 0.00 0.42 0.00 0.00 57.03 57.38 1orr h ASP 178 Cb 0.30 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 1orr h ASP 178 CO -0.00 0.84 -0.19 1.88 -2.88 0.00 0.00 179.24 178.89 1orr h TYR 179 N 0.34 0.00 -0.09 0.28 -1.99 -0.90 0.30 116.97 114.91 1orr h TYR 179 Ca 0.02 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.73 1orr h TYR 179 Cb 0.94 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.66 1orr h TYR 179 CO 0.03 0.19 -0.04 0.00 -0.00 0.00 0.00 178.16 178.33 1orr h ALA 180 N 1.81 0.13 -0.12 3.88 0.00 -1.32 -0.30 119.26 123.33 1orr h ALA 180 Ca -0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1orr h ALA 180 Cb 0.37 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1orr h ALA 180 CO 0.02 -0.11 -0.09 0.00 0.00 0.00 0.00 179.25 179.08 1orr h ARG 181 N -0.18 0.28 0.04 0.00 3.08 -1.10 -1.49 114.38 115.00 1orr h ARG 181 Ca 0.02 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 59.83 1orr h ARG 181 Cb 0.50 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.56 1orr h ARG 181 CO 0.01 0.64 -0.46 0.82 -1.07 0.00 0.00 179.97 179.92 1orr h ILE 182 N -0.09 1.54 -0.28 2.04 1.08 -0.53 -3.38 117.51 117.89 1orr h ILE 182 Ca 0.02 -2.19 0.00 0.00 -0.39 0.00 0.00 64.86 62.30 1orr h ILE 182 Cb 0.57 2.92 0.00 0.00 -3.07 0.00 0.00 36.82 37.25 1orr h ILE 182 CO 0.02 0.61 0.00 0.49 -0.69 0.00 0.00 178.15 178.58 1orr n PHE 183 N -4.34 0.35 -1.08 1.37 3.01 -0.17 -4.98 117.46 111.63 1orr n PHE 183 Ca -0.11 -0.24 -0.03 0.00 1.01 0.00 0.00 57.45 58.08 1orr n PHE 183 Cb 0.63 -0.01 -0.01 0.00 -0.01 0.00 0.00 39.48 40.08 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 1.03 0.52 3.75 1.37 0.00 -0.56 -4.95 105.19 106.35 1orr n GLY 184 Ca 0.14 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.62 3.51 -1.18 0.99 1.43 -0.95 -4.93 118.68 116.92 1orr s LEU 185 Ca 0.00 2.32 -0.09 0.00 -1.03 0.00 0.00 54.13 55.33 1orr s LEU 185 Cb 0.00 -4.59 0.23 0.00 0.03 0.00 0.00 46.19 41.86 1orr s LEU 185 CO 0.00 -1.82 1.53 0.59 0.23 0.00 0.00 176.35 176.88 1orr n ASN 186 N -2.09 5.54 -4.78 2.29 3.02 -1.26 -4.28 115.26 113.71 1orr n ASN 186 Ca 0.13 -3.14 -0.26 0.00 -0.03 0.00 0.00 54.58 51.28 1orr n ASN 186 Cb 0.50 -1.43 -0.06 0.00 -0.61 0.00 0.00 39.78 38.18 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 -0.45 4.33 -0.03 3.41 -4.23 -1.26 0.00 115.64 117.41 1orr s THR 187 Ca 0.37 -1.21 -0.02 0.00 -1.18 0.00 0.00 61.69 59.65 1orr s THR 187 Cb 0.02 -3.23 0.02 0.00 1.34 0.00 0.00 72.50 70.65 1orr s THR 187 CO 0.01 -0.15 0.08 -0.69 -0.54 0.00 0.00 174.62 173.33 1orr s VAL 188 N -1.82 -0.03 -0.11 2.29 1.01 0.50 -0.02 120.40 122.22 1orr s VAL 188 Ca 0.31 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.39 1orr s VAL 188 Cb -0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 36.13 1orr s VAL 188 CO 0.23 0.04 -0.13 -0.69 0.00 0.00 0.00 175.10 174.54 1orr s VAL 189 N 0.56 3.06 -0.25 2.92 1.01 -0.62 -0.52 120.40 126.56 1orr s VAL 189 Ca -0.04 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 1orr s VAL 189 Cb -0.06 -2.26 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 1orr s VAL 189 CO -0.02 0.54 0.01 -0.36 0.00 0.00 0.00 175.10 175.27 1orr s PHE 190 N 0.11 3.06 -0.86 5.22 2.99 -0.28 -1.00 117.98 127.22 1orr s PHE 190 Ca -0.06 -0.95 -0.18 0.00 0.00 0.00 0.00 56.93 55.74 1orr s PHE 190 Cb -0.15 -2.17 0.14 0.00 0.00 0.00 0.00 43.02 40.84 1orr s PHE 190 CO 0.05 -0.55 1.01 1.03 -0.00 0.00 0.00 175.22 176.76 1orr s ARG 191 N 1.49 3.52 0.12 0.44 0.52 0.64 -0.11 118.95 125.57 1orr s ARG 191 Ca 0.04 -1.80 -0.28 0.00 -0.52 0.00 0.00 55.73 53.18 1orr s ARG 191 Cb -0.16 -4.72 -0.07 0.00 0.52 0.00 0.00 34.95 30.53 1orr s ARG 191 CO -0.00 -1.66 0.87 -1.01 0.02 0.00 0.00 175.30 173.51 1orr s HIS 192 N 2.29 3.84 0.51 -0.53 3.76 -1.11 -1.51 115.29 122.54 1orr s HIS 192 Ca 0.27 1.70 0.04 0.00 -0.15 0.00 0.00 55.06 56.92 1orr s HIS 192 Cb -0.08 -2.92 0.09 0.00 1.11 0.00 0.00 32.58 30.78 1orr s HIS 192 CO -0.07 0.33 0.71 0.45 -0.85 0.00 0.00 174.74 175.31 1orr n SER 193 N 2.35 1.41 -4.65 1.40 2.88 -0.69 -1.99 113.62 114.33 1orr n SER 193 Ca -0.01 -2.08 -0.46 0.00 -1.33 0.00 0.00 58.87 54.99 1orr n SER 193 Cb 0.49 -0.42 -0.03 0.00 -0.75 0.00 0.00 64.21 63.51 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 -2.67 2.39 -4.25 -3.46 7.64 -1.25 -4.90 113.62 107.12 1orr n SER 194 Ca 0.13 1.15 -0.21 0.00 1.01 0.00 0.00 58.87 60.95 1orr n SER 194 Cb 0.47 -1.38 -0.12 0.00 -1.01 0.00 0.00 64.21 62.18 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 -0.49 1.02 0.19 1.43 -1.94 -1.26 -1.04 119.30 117.21 1orr s MET 195 Ca 0.69 -1.13 -0.22 0.00 -1.71 0.00 0.00 55.69 53.31 1orr s MET 195 Cb -0.69 -1.12 0.06 0.00 2.01 0.00 0.00 34.83 35.09 1orr s MET 195 CO 0.51 0.25 0.62 1.52 -0.01 0.00 0.00 175.02 177.90 1orr s TYR 196 N -1.45 -0.44 -5.00 -0.03 -0.85 -0.93 -4.90 117.35 103.74 1orr s TYR 196 Ca 0.05 0.17 0.00 0.00 -0.52 0.00 0.00 57.07 56.77 1orr s TYR 196 Cb -0.09 0.58 0.00 0.00 0.38 0.00 0.00 41.96 42.83 1orr s TYR 196 CO 0.04 -0.93 0.00 0.41 -1.52 0.00 0.00 175.55 173.55 1orr n GLY 197 N -0.39 -0.63 3.74 5.49 0.00 -1.26 -0.45 105.19 111.68 1orr n GLY 197 Ca -0.14 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 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 2.07 0.00 -0.02 0.00 -1.26 -2.83 107.32 105.28 1orr s GLY 198 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.33 1orr s GLY 198 CO 0.00 0.98 0.00 0.54 0.00 0.00 0.00 173.10 174.62 1orr n ARG 199 N -2.94 -0.00 -3.19 2.90 5.12 -1.26 -4.90 116.66 112.39 1orr n ARG 199 Ca 0.11 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.64 1orr n ARG 199 Cb 0.52 -2.57 -0.06 0.00 -1.16 0.00 0.00 32.46 29.19 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 -0.01 4.25 -0.83 5.56 0.74 -1.13 -4.08 119.66 124.16 1orr s GLN 200 Ca 0.00 0.54 -0.02 0.00 0.05 0.00 0.00 55.36 55.94 1orr s GLN 200 Cb 0.00 -3.53 0.21 0.00 1.10 0.00 0.00 33.01 30.78 1orr s GLN 200 CO 0.00 -0.11 0.70 -0.06 -0.55 0.00 0.00 175.29 175.27 1orr s PHE 201 N 1.47 3.78 0.76 1.67 0.40 -1.26 -5.00 117.98 119.80 1orr s PHE 201 Ca 0.28 -2.99 -0.14 0.00 -0.60 0.00 0.00 56.93 53.48 1orr s PHE 201 Cb -0.16 -3.20 0.06 0.00 0.51 0.00 0.00 43.02 40.23 1orr s PHE 201 CO 0.11 -0.74 1.20 0.00 0.70 0.00 0.00 175.22 176.49 1orr s ALA 202 N -1.11 2.00 0.29 5.36 0.00 -1.26 -4.93 121.76 122.11 1orr s ALA 202 Ca 0.25 0.84 0.02 0.00 0.00 0.00 0.00 51.96 53.08 1orr s ALA 202 Cb -0.09 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1orr s ALA 202 CO -0.11 -2.05 0.13 0.95 0.00 0.00 0.00 175.76 174.68 1orr s THR 203 N -2.09 0.45 0.29 0.00 -4.23 -0.29 -4.86 115.64 104.92 1orr s THR 203 Ca 0.73 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.28 1orr s THR 203 Cb -0.28 -2.56 0.29 0.00 1.34 0.00 0.00 72.50 71.28 1orr s THR 203 CO 0.48 0.00 1.78 0.22 -0.54 0.00 0.00 174.62 176.56 1orr h TYR 204 N 2.27 1.02 0.00 3.99 3.20 -1.96 -2.56 116.97 122.92 1orr h TYR 204 Ca -0.36 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.50 1orr h TYR 204 Cb 1.25 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 1orr h TYR 204 CO 0.80 0.25 -0.37 -0.44 -1.64 0.00 0.00 178.16 176.76 1orr h ASP 205 N 0.76 0.00 -3.51 -2.11 3.32 -2.01 -3.47 116.42 109.40 1orr h ASP 205 Ca 0.55 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.54 1orr h ASP 205 Cb 0.80 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.12 1orr h ASP 205 CO -0.37 0.21 -0.07 -1.58 -1.72 0.00 0.00 179.24 175.72 1orr s GLN 206 N -3.12 0.63 0.00 3.56 -0.44 -0.96 -4.57 119.66 114.76 1orr s GLN 206 Ca 0.05 0.94 0.00 0.00 -2.50 0.00 0.00 55.36 53.85 1orr s GLN 206 Cb 0.07 0.20 0.00 0.00 -1.64 0.00 0.00 33.01 31.64 1orr s GLN 206 CO 0.72 -0.12 0.00 0.41 0.50 0.00 0.00 175.29 176.80 1orr n GLY 207 N 3.56 0.77 0.19 2.59 0.00 -1.26 -1.13 105.19 109.90 1orr n GLY 207 Ca -0.18 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.05 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 0.55 -0.53 1.61 5.08 -1.90 0.36 115.95 121.12 1orr h TRP 208 Ca 0.00 0.01 -0.07 0.00 1.08 0.00 0.00 58.89 59.91 1orr h TRP 208 Cb 0.08 -0.19 -0.02 0.00 -3.00 0.00 0.00 29.16 26.03 1orr h TRP 208 CO 0.00 0.35 0.05 0.28 -1.28 0.00 0.00 178.44 177.85 1orr h VAL 209 N 0.59 1.26 -0.54 0.12 2.07 -1.97 -2.19 116.25 115.59 1orr h VAL 209 Ca 0.16 -1.01 -0.07 0.00 0.82 0.00 0.00 66.70 66.61 1orr h VAL 209 Cb -0.06 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1orr h VAL 209 CO -0.03 0.36 0.08 1.23 0.02 0.00 0.00 177.57 179.23 1orr h GLY 210 N 0.78 0.97 0.87 2.17 0.00 -1.87 -1.72 103.07 104.26 1orr h GLY 210 Ca 0.16 -0.65 0.01 0.00 0.00 0.00 0.00 47.33 46.85 1orr h GLY 210 CO 0.02 0.60 -0.06 -0.25 0.00 0.00 0.00 176.54 176.85 1orr h TRP 211 N 0.79 -0.14 0.00 5.60 2.91 -0.12 -1.25 115.95 123.73 1orr h TRP 211 Ca 0.16 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.15 1orr h TRP 211 Cb 0.41 0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 29.12 1orr h TRP 211 CO 0.03 -0.09 -0.17 0.74 -1.03 0.00 0.00 178.44 177.92 1orr h PHE 212 N -0.11 0.00 -0.36 2.65 -1.00 -1.33 0.51 116.94 117.30 1orr h PHE 212 Ca 0.02 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.74 1orr h PHE 212 Cb 0.13 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.68 1orr h PHE 212 CO -0.12 0.17 -0.02 0.00 -1.61 0.00 0.00 178.31 176.72 1orr h GLN 214 N 0.47 0.17 -0.96 0.00 5.75 -0.52 0.29 115.11 120.31 1orr h GLN 214 Ca 0.10 -0.01 0.13 0.00 -0.15 0.00 0.00 58.65 58.72 1orr h GLN 214 Cb 0.50 -0.04 -0.08 0.00 1.07 0.00 0.00 27.48 28.93 1orr h GLN 214 CO 0.02 0.11 0.61 0.87 -2.65 0.00 0.00 178.83 177.80 1orr h LYS 215 N 0.18 0.86 -0.21 1.69 1.79 -0.41 0.13 116.57 120.59 1orr h LYS 215 Ca 0.14 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.52 1orr h LYS 215 Cb 0.15 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 1orr h LYS 215 CO -0.19 0.57 -0.02 0.00 -1.08 0.00 0.00 179.45 178.73 1orr h ALA 216 N 1.56 0.29 0.09 3.86 0.00 0.20 -3.09 119.26 122.17 1orr h ALA 216 Ca 0.48 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1orr h ALA 216 Cb 0.56 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1orr h ALA 216 CO -0.24 0.04 -0.11 0.28 0.00 0.00 0.00 179.25 179.22 1orr h VAL 217 N 0.14 0.75 -1.02 0.00 2.07 0.15 -2.92 116.25 115.43 1orr h VAL 217 Ca 0.06 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.85 1orr h VAL 217 Cb 0.44 0.75 -0.13 0.00 -1.52 0.00 0.00 31.29 30.83 1orr h VAL 217 CO 0.01 0.00 0.61 -0.33 0.02 0.00 0.00 177.57 177.88 1orr h GLU 218 N -0.23 0.47 0.14 1.57 5.08 -0.85 -2.46 114.58 118.29 1orr h GLU 218 Ca 0.01 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1orr h GLU 218 Cb 0.23 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1orr h GLU 218 CO -0.04 0.31 -0.07 0.82 -1.00 0.00 0.00 179.01 179.03 1orr h ILE 219 N 0.48 0.00 -0.86 3.13 2.04 -1.45 -3.30 117.51 117.55 1orr h ILE 219 Ca 0.66 -0.23 0.34 0.00 1.00 0.00 0.00 64.86 66.63 1orr h ILE 219 Cb 1.41 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 37.34 1orr h ILE 219 CO -0.48 0.00 0.39 1.17 0.00 0.00 0.00 178.15 179.23 1orr n LYS 220 N -3.14 -0.05 -0.92 2.37 4.81 -1.11 0.38 118.16 120.49 1orr n LYS 220 Ca -0.02 1.20 -0.10 0.00 -0.87 0.00 0.00 58.31 58.52 1orr n LYS 220 Cb 0.07 -2.12 -0.15 0.00 0.02 0.00 0.00 35.03 32.86 1orr n LYS 220 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1orr n ASN 221 N -4.99 5.15 0.00 3.14 4.13 -0.94 -4.83 115.26 116.92 1orr n ASN 221 Ca 0.31 -2.45 0.00 0.00 1.68 0.00 0.00 54.58 54.12 1orr n ASN 221 Cb 1.04 -1.36 0.00 0.00 -1.54 0.00 0.00 39.78 37.92 1orr n ASN 221 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1orr n GLY 222 N 2.39 1.18 3.46 7.41 0.00 1.22 -4.97 105.19 115.89 1orr n GLY 222 Ca 0.37 0.46 -0.44 0.00 0.00 0.00 0.00 46.02 46.41 1orr n GLY 222 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1orr n ILE 223 N 0.00 1.80 0.00 -0.61 -6.64 -1.17 -4.68 119.36 108.05 1orr n ILE 223 Ca 0.00 -0.50 0.00 0.00 -1.77 0.00 0.00 62.75 60.48 1orr n ILE 223 Cb 0.00 -0.50 0.00 0.00 -1.44 0.00 0.00 39.64 37.70 1orr n ILE 223 CO 0.00 0.00 0.00 -2.65 -1.77 0.00 0.00 176.55 172.13 1orr n PRO 226 N 0.76 0.00 -2.91 6.28 -0.02 -1.23 -4.35 135.00 133.53 1orr n PRO 226 Ca 0.12 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.37 1orr n PRO 226 Cb 0.35 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.84 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 0.00 3.23 0.30 6.00 -0.12 -1.22 -4.86 117.98 121.31 1orr s PHE 227 Ca 0.00 0.29 0.11 0.00 -0.05 0.00 0.00 56.93 57.28 1orr s PHE 227 Cb 0.00 -2.36 -0.05 0.00 -0.63 0.00 0.00 43.02 39.98 1orr s PHE 227 CO 0.00 -0.41 -0.11 0.95 -0.05 0.00 0.00 175.22 175.60 1orr s THR 228 N -2.61 2.61 0.01 -4.49 -4.23 -1.26 -0.83 115.64 104.85 1orr s THR 228 Ca 0.49 -2.21 0.03 0.00 -1.18 0.00 0.00 61.69 58.82 1orr s THR 228 Cb -0.10 -2.55 -0.01 0.00 1.34 0.00 0.00 72.50 71.18 1orr s THR 228 CO 0.39 -0.32 -0.10 0.27 -0.54 0.00 0.00 174.62 174.32 1orr s ILE 229 N -2.50 0.79 -0.51 2.99 -4.36 -0.18 -4.90 121.20 112.52 1orr s ILE 229 Ca 0.32 -0.64 -0.18 0.00 -0.26 0.00 0.00 60.65 59.89 1orr s ILE 229 Cb -0.03 -0.70 0.07 0.00 1.25 0.00 0.00 42.46 43.05 1orr s ILE 229 CO 0.17 0.07 0.59 -0.44 0.24 0.00 0.00 174.94 175.57 1orr s SER 230 N -0.64 6.20 0.00 4.36 0.01 -1.26 0.01 113.70 122.38 1orr s SER 230 Ca 0.01 -1.08 0.00 0.00 1.31 0.00 0.00 55.95 56.19 1orr s SER 230 Cb -0.05 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1orr s SER 230 CO 0.00 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.39 1orr n GLY 231 N 5.19 -1.33 0.06 3.44 0.00 -0.82 -4.50 105.19 107.23 1orr n GLY 231 Ca -0.08 -2.02 0.13 0.00 0.00 0.00 0.00 46.02 44.05 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 0.00 0.53 0.00 1.61 0.23 -1.26 -4.51 115.26 111.86 1orr n ASN 232 Ca 0.00 -0.31 0.00 0.00 -0.53 0.00 0.00 54.58 53.74 1orr n ASN 232 Cb 0.00 0.09 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 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 1.44 0.80 0.08 4.83 0.00 -1.26 -4.89 105.19 106.19 1orr n GLY 233 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.02 0.36 -1.93 1.61 5.02 -1.26 -1.62 118.16 118.32 1orr n LYS 234 Ca 0.00 -0.16 -0.37 0.00 -2.02 0.00 0.00 58.31 55.75 1orr n LYS 234 Cb 0.00 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.54 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 -2.75 3.18 0.06 1.97 0.00 -1.26 -1.28 119.66 119.58 1orr s GLN 235 Ca 0.19 2.03 0.07 0.00 -0.00 0.00 0.00 55.36 57.65 1orr s GLN 235 Cb 0.19 -2.18 -0.03 0.00 0.00 0.00 0.00 33.01 30.99 1orr s GLN 235 CO 0.57 -1.09 -0.21 0.08 0.00 0.00 0.00 175.29 174.64 1orr s VAL 236 N -1.43 1.68 0.00 3.63 1.01 0.96 -3.29 120.40 122.97 1orr s VAL 236 Ca 0.72 -1.28 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1orr s VAL 236 Cb -0.35 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1orr s VAL 236 CO 0.41 0.14 -0.04 -0.13 0.00 0.00 0.00 175.10 175.48 1orr s ARG 237 N -1.34 0.30 0.38 2.72 1.81 -0.65 -0.34 118.95 121.82 1orr s ARG 237 Ca 0.07 -0.22 -0.21 0.00 -1.72 0.00 0.00 55.73 53.66 1orr s ARG 237 Cb -0.09 -0.24 -0.10 0.00 -0.45 0.00 0.00 34.95 34.07 1orr s ARG 237 CO 0.02 0.06 0.89 0.16 -0.68 0.00 0.00 175.30 175.76 1orr s ASP 238 N -0.33 6.99 -0.05 0.23 1.47 -0.79 -0.94 116.67 123.25 1orr s ASP 238 Ca -0.01 1.62 0.06 0.00 1.18 0.00 0.00 52.55 55.40 1orr s ASP 238 Cb -0.03 -2.51 -0.01 0.00 -0.34 0.00 0.00 42.92 40.03 1orr s ASP 238 CO -0.00 -0.26 -0.23 0.68 0.68 0.00 0.00 175.17 176.04 1orr s VAL 239 N -2.00 2.23 -0.17 2.11 -7.23 -0.58 -3.82 120.40 110.94 1orr s VAL 239 Ca 0.57 -1.02 0.01 0.00 -1.81 0.00 0.00 61.98 59.74 1orr s VAL 239 Cb -0.11 -1.81 0.02 0.00 0.56 0.00 0.00 36.38 35.03 1orr s VAL 239 CO 0.16 0.57 -0.20 -0.22 -0.31 0.00 0.00 175.10 175.11 1orr s LEU 240 N -0.31 2.08 0.54 1.32 2.96 -0.21 -3.97 118.68 121.09 1orr s LEU 240 Ca 0.01 -0.62 -0.18 0.00 -0.22 0.00 0.00 54.13 53.12 1orr s LEU 240 Cb -0.13 -1.44 -0.06 0.00 0.50 0.00 0.00 46.19 45.07 1orr s LEU 240 CO 0.02 0.01 1.06 -2.28 -1.32 0.00 0.00 176.35 173.84 1orr s HIS 241 N 1.22 2.94 0.30 5.38 5.65 -1.26 -2.20 115.29 127.33 1orr s HIS 241 Ca 0.03 1.55 0.07 0.00 0.25 0.00 0.00 55.06 56.95 1orr s HIS 241 Cb -0.13 -3.07 0.82 0.00 -1.18 0.00 0.00 32.58 29.01 1orr s HIS 241 CO -0.11 -1.05 1.69 0.00 -0.65 0.00 0.00 174.74 174.62 1orr h ALA 242 N 1.05 1.58 -0.71 1.58 0.00 -1.15 -1.87 119.26 119.72 1orr h ALA 242 Ca -0.48 0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.67 1orr h ALA 242 Cb 1.23 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 19.10 1orr h ALA 242 CO 0.58 -0.38 0.39 0.93 0.00 0.00 0.00 179.25 180.77 1orr h GLU 243 N 0.40 0.67 -0.04 0.00 5.08 -1.92 -0.48 114.58 118.30 1orr h GLU 243 Ca 0.61 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.80 1orr h GLU 243 Cb 1.20 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1orr h GLU 243 CO -0.55 0.45 -0.56 -0.44 -1.00 0.00 0.00 179.01 176.91 1orr h ASP 244 N 0.69 0.13 -0.53 1.42 3.32 -1.72 -2.88 116.42 116.85 1orr h ASP 244 Ca 0.33 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.24 1orr h ASP 244 Cb 0.26 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1orr h ASP 244 CO -0.22 0.66 0.06 -0.03 -1.72 0.00 0.00 179.24 178.00 1orr h MET 245 N 0.09 0.89 -0.22 3.56 1.85 -1.12 -0.88 114.93 119.10 1orr h MET 245 Ca -0.00 -0.25 -0.00 0.00 -0.61 0.00 0.00 59.70 58.83 1orr h MET 245 Cb 1.01 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.94 1orr h MET 245 CO 0.08 0.88 0.13 0.82 -0.40 0.00 0.00 176.91 178.41 1orr h ILE 246 N 0.77 1.11 -0.67 1.77 2.04 -1.03 -1.05 117.51 120.44 1orr h ILE 246 Ca 0.16 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 1orr h ILE 246 Cb 0.44 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1orr h ILE 246 CO 0.01 0.10 0.21 0.77 0.00 0.00 0.00 178.15 179.25 1orr h SER 247 N 0.26 0.98 -0.18 1.72 4.64 -1.39 -2.39 113.55 117.19 1orr h SER 247 Ca 0.08 -0.21 0.04 0.00 -0.47 0.00 0.00 61.79 61.23 1orr h SER 247 Cb 0.05 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 61.85 1orr h SER 247 CO -0.01 0.93 -0.07 0.25 -0.87 0.00 0.00 176.83 177.05 1orr h LEU 248 N 0.98 -0.24 0.13 5.97 5.85 -0.85 -0.87 115.31 126.27 1orr h LEU 248 Ca 0.22 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1orr h LEU 248 Cb 0.30 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1orr h LEU 248 CO -0.01 -0.09 -0.11 1.88 -0.34 0.00 0.00 178.44 179.77 1orr h TYR 249 N -0.04 -0.29 -0.39 1.25 -1.99 -0.98 0.94 116.97 115.47 1orr h TYR 249 Ca 0.09 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.72 1orr h TYR 249 Cb 0.18 0.11 -0.02 0.00 2.00 0.00 0.00 36.73 39.01 1orr h TYR 249 CO -0.23 -0.18 -0.19 0.74 -0.00 0.00 0.00 178.16 178.31 1orr h PHE 250 N -0.26 0.83 -0.18 4.88 -1.00 -1.38 -0.60 116.94 119.24 1orr h PHE 250 Ca 0.00 -0.18 -0.05 0.00 2.81 0.00 0.00 57.97 60.55 1orr h PHE 250 Cb 0.24 -0.21 -0.00 0.00 3.61 0.00 0.00 35.95 39.59 1orr h PHE 250 CO -0.11 0.87 -0.09 1.15 -1.61 0.00 0.00 178.31 178.52 1orr h THR 251 N 0.66 1.31 -0.47 -1.55 2.02 -1.06 -1.05 112.91 112.77 1orr h THR 251 Ca 0.10 -1.14 0.03 0.00 0.77 0.00 0.00 66.41 66.17 1orr h THR 251 Cb 0.68 1.68 -0.04 0.00 -1.74 0.00 0.00 68.15 68.73 1orr h THR 251 CO 0.05 0.34 0.26 0.00 0.37 0.00 0.00 175.52 176.54 1orr h ALA 252 N 0.69 0.60 -0.42 6.16 0.00 -0.71 -0.22 119.26 125.35 1orr h ALA 252 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1orr h ALA 252 Cb 0.57 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1orr h ALA 252 CO 0.03 -0.07 0.19 1.25 0.00 0.00 0.00 179.25 180.65 1orr h LEU 253 N 0.51 0.26 -1.70 0.00 5.85 -1.04 0.24 115.31 119.45 1orr h LEU 253 Ca 0.20 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 1orr h LEU 253 Cb 0.06 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1orr h LEU 253 CO -0.11 0.19 -0.18 0.00 -0.34 0.00 0.00 178.44 178.00 1orr h ALA 254 N 1.24 1.54 -0.48 1.25 0.00 -0.68 -2.36 119.26 119.76 1orr h ALA 254 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1orr h ALA 254 Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1orr h ALA 254 CO -0.15 0.23 0.00 0.09 0.00 0.00 0.00 179.25 179.42 1orr n ASN 255 N -4.09 5.20 -0.32 0.00 3.02 -0.14 -4.70 115.26 114.23 1orr n ASN 255 Ca -0.02 -2.96 0.13 0.00 -0.03 0.00 0.00 54.58 51.70 1orr n ASN 255 Cb 0.26 -0.64 0.31 0.00 -0.61 0.00 0.00 39.78 39.09 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 3.36 0.59 -0.64 2.41 3.04 -0.45 -1.21 116.25 123.35 1orr h VAL 256 Ca 0.00 -0.19 0.18 0.00 -1.01 0.00 0.00 66.70 65.68 1orr h VAL 256 Cb 1.82 -0.02 -0.03 0.00 -2.01 0.00 0.00 31.29 31.05 1orr h VAL 256 CO 0.41 0.10 0.46 0.77 -1.01 0.00 0.00 177.57 178.31 1orr h SER 257 N 0.57 0.00 0.29 3.17 4.64 -1.85 0.36 113.55 120.72 1orr h SER 257 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 1orr h SER 257 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1orr h SER 257 CO -0.45 0.00 -0.86 2.29 -0.87 0.00 0.00 176.83 176.94 1orr n LYS 258 N -4.32 0.09 -0.00 4.77 2.85 -0.47 -4.35 118.16 116.72 1orr n LYS 258 Ca 0.12 -0.01 0.01 0.00 -1.05 0.00 0.00 58.31 57.38 1orr n LYS 258 Cb 0.71 -1.53 0.01 0.00 -0.65 0.00 0.00 35.03 33.58 1orr n LYS 258 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 1orr n ILE 259 N -1.64 0.17 -1.56 0.58 -5.35 -0.44 -5.04 119.36 106.07 1orr n ILE 259 Ca 0.04 -0.58 -0.43 0.00 -0.27 0.00 0.00 62.75 61.51 1orr n ILE 259 Cb 0.37 0.94 -0.00 0.00 -1.74 0.00 0.00 39.64 39.20 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 -0.01 1.14 -0.96 6.28 1.85 -0.01 -2.17 116.66 122.78 1orr n ARG 260 Ca 0.01 0.41 0.00 0.00 -1.00 0.00 0.00 57.85 57.26 1orr n ARG 260 Cb 0.07 -1.82 0.00 0.00 -1.05 0.00 0.00 32.46 29.66 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 1.35 0.57 3.52 2.89 0.00 0.98 -4.94 105.19 109.56 1orr n GLY 261 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.11 3.89 0.02 1.61 0.01 -0.92 -4.92 114.94 112.52 1orr s ASN 262 Ca 0.00 -0.88 0.04 0.00 -0.71 0.00 0.00 52.86 51.32 1orr s ASN 262 Cb 0.00 -0.48 -0.03 0.00 0.41 0.00 0.00 41.25 41.15 1orr s ASN 262 CO 0.00 0.04 -0.08 0.00 -1.51 0.00 0.00 177.10 175.55 1orr s ALA 263 N -2.32 2.96 0.00 0.60 0.00 -1.26 -1.59 121.76 120.15 1orr s ALA 263 Ca 0.29 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.18 1orr s ALA 263 Cb -0.06 -1.05 -0.00 0.00 0.00 0.00 0.00 23.12 22.01 1orr s ALA 263 CO 0.16 0.62 -0.02 -0.06 0.00 0.00 0.00 175.76 176.45 1orr s PHE 264 N -1.03 0.19 -0.03 0.00 0.40 -0.17 -4.96 117.98 112.39 1orr s PHE 264 Ca 0.18 -0.06 -0.27 0.00 -0.60 0.00 0.00 56.93 56.18 1orr s PHE 264 Cb -0.11 -0.12 -0.03 0.00 0.51 0.00 0.00 43.02 43.26 1orr s PHE 264 CO 0.08 -0.01 0.84 -0.80 0.70 0.00 0.00 175.22 176.04 1orr s ASN 265 N -0.14 7.19 -0.05 1.36 0.01 -1.26 -0.26 114.94 121.80 1orr s ASN 265 Ca -0.00 1.44 0.05 0.00 -0.71 0.00 0.00 52.86 53.64 1orr s ASN 265 Cb -0.01 -2.49 -0.01 0.00 0.41 0.00 0.00 41.25 39.14 1orr s ASN 265 CO -0.00 -0.18 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.57 1orr s ILE 266 N 0.86 1.68 0.07 0.60 -1.09 -0.57 -4.50 121.20 118.25 1orr s ILE 266 Ca 0.45 -0.86 -0.26 0.00 -2.23 0.00 0.00 60.65 57.74 1orr s ILE 266 Cb -0.20 -1.43 0.09 0.00 -1.58 0.00 0.00 42.46 39.34 1orr s ILE 266 CO 0.23 0.48 1.17 -0.83 -1.23 0.00 0.00 174.94 174.76 1orr s GLY 267 N -0.09 -0.09 0.21 6.18 0.00 -1.26 -1.70 107.32 110.57 1orr s GLY 267 Ca -0.03 0.01 0.23 0.00 0.00 0.00 0.00 44.72 44.94 1orr s GLY 267 CO 0.02 3.13 1.70 0.61 0.00 0.00 0.00 173.10 178.56 1orr n GLY 268 N -0.73 -1.32 0.18 0.20 0.00 -1.25 -4.85 105.19 97.42 1orr n GLY 268 Ca -0.02 0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.13 -0.06 -0.25 2.61 -2.24 -1.26 -3.90 114.28 107.05 1orr n THR 269 Ca 0.03 0.09 0.06 0.00 -2.27 0.00 0.00 64.05 61.96 1orr n THR 269 Cb 0.26 -0.16 0.18 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.18 0.53 -0.06 2.28 6.09 -1.83 0.41 117.51 124.76 1orr h ILE 270 Ca -0.02 -0.10 0.02 0.00 -1.37 0.00 0.00 64.86 63.39 1orr h ILE 270 Cb 0.17 0.22 -0.00 0.00 0.47 0.00 0.00 36.82 37.68 1orr h ILE 270 CO 0.01 0.05 0.18 -0.37 -3.07 0.00 0.00 178.15 174.95 1orr h VAL 271 N 0.29 0.16 -0.46 2.19 -1.51 -1.99 0.19 116.25 115.12 1orr h VAL 271 Ca 0.42 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.83 1orr h VAL 271 Cb 0.70 0.84 -0.03 0.00 -2.13 0.00 0.00 31.29 30.67 1orr h VAL 271 CO -0.50 0.00 0.05 0.59 -1.23 0.00 0.00 177.57 176.49 1orr n ASN 272 N -3.27 4.57 -4.81 4.19 3.02 0.14 -4.84 115.26 114.27 1orr n ASN 272 Ca -0.01 -3.09 -0.35 0.00 -0.03 0.00 0.00 54.58 51.10 1orr n ASN 272 Cb 0.26 -0.64 -0.06 0.00 -0.61 0.00 0.00 39.78 38.73 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 -1.44 7.04 -0.01 6.41 1.04 0.67 -1.52 113.70 125.89 1orr s SER 273 Ca 0.49 1.58 -0.09 0.00 0.48 0.00 0.00 55.95 58.42 1orr s SER 273 Cb 0.39 -2.49 0.01 0.00 0.10 0.00 0.00 66.02 64.03 1orr s SER 273 CO 0.11 -0.16 0.18 -0.76 0.98 0.00 0.00 173.24 173.59 1orr s LEU 274 N -2.58 1.39 0.40 2.42 1.43 -0.11 -4.95 118.68 116.68 1orr s LEU 274 Ca 0.53 -0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.63 1orr s LEU 274 Cb -0.13 0.78 -0.00 0.00 0.03 0.00 0.00 46.19 46.87 1orr s LEU 274 CO 0.19 -0.34 0.50 -0.94 0.23 0.00 0.00 176.35 175.98 1orr s SER 275 N -1.18 5.54 0.21 2.29 1.04 -1.26 -1.64 113.70 118.70 1orr s SER 275 Ca -0.13 -0.47 -0.05 0.00 0.48 0.00 0.00 55.95 55.79 1orr s SER 275 Cb -0.06 -0.73 0.16 0.00 0.10 0.00 0.00 66.02 65.49 1orr s SER 275 CO 0.02 -0.67 1.60 -0.07 0.98 0.00 0.00 173.24 175.10 1orr h LEU 276 N 0.79 0.79 -0.68 2.42 4.07 -1.29 -0.62 115.31 120.79 1orr h LEU 276 Ca -0.41 -0.30 -0.00 0.00 0.08 0.00 0.00 57.88 57.24 1orr h LEU 276 Cb 1.27 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 42.76 1orr h LEU 276 CO 0.50 1.02 0.42 -0.07 -1.08 0.00 0.00 178.44 179.22 1orr h LEU 277 N 0.65 0.81 -0.93 1.67 3.38 -1.57 0.15 115.31 119.48 1orr h LEU 277 Ca 0.08 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1orr h LEU 277 Cb 0.79 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1orr h LEU 277 CO 0.07 0.62 0.17 -0.33 0.09 0.00 0.00 178.44 179.06 1orr h GLU 278 N 0.92 0.96 -0.51 1.13 5.08 -1.72 -1.97 114.58 118.46 1orr h GLU 278 Ca 0.24 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1orr h GLU 278 Cb -0.04 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1orr h GLU 278 CO -0.05 0.84 0.06 1.25 -1.00 0.00 0.00 179.01 180.11 1orr h LEU 279 N 0.92 0.78 -0.73 1.33 5.85 -0.51 -2.21 115.31 120.74 1orr h LEU 279 Ca 0.20 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1orr h LEU 279 Cb 0.30 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1orr h LEU 279 CO -0.00 0.81 0.40 -0.26 -0.34 0.00 0.00 178.44 179.04 1orr h PHE 280 N 0.78 1.00 0.22 1.25 0.04 -0.27 -2.00 116.94 117.96 1orr h PHE 280 Ca 0.16 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.91 1orr h PHE 280 Cb 0.39 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 1orr h PHE 280 CO 0.02 0.70 -0.27 0.87 -0.60 0.00 0.00 178.31 179.03 1orr h LYS 281 N 1.00 -0.53 -0.92 1.51 1.79 -0.96 0.45 116.57 118.91 1orr h LYS 281 Ca 0.26 0.04 0.14 0.00 -2.18 0.00 0.00 60.65 58.90 1orr h LYS 281 Cb 0.04 0.12 -0.15 0.00 -1.58 0.00 0.00 32.23 30.66 1orr h LYS 281 CO -0.04 -0.35 -0.36 -0.11 -1.08 0.00 0.00 179.45 177.50 1orr n LEU 282 N -5.39 -0.61 -0.10 2.94 7.94 -0.87 -0.12 117.00 120.79 1orr n LEU 282 Ca -0.08 1.61 -0.13 0.00 -1.11 0.00 0.00 56.01 56.30 1orr n LEU 282 Cb 0.30 -0.36 -0.04 0.00 0.53 0.00 0.00 43.42 43.85 1orr n LEU 282 CO 0.27 -1.44 0.59 -0.07 -1.11 0.00 0.00 177.39 175.63 1orr h LEU 283 N 0.00 0.73 -0.70 -1.96 -0.00 -0.83 0.35 115.31 112.90 1orr h LEU 283 Ca 0.32 -0.46 0.08 0.00 -0.00 0.00 0.00 57.88 57.82 1orr h LEU 283 Cb 0.55 -0.21 -0.07 0.00 -0.00 0.00 0.00 40.66 40.93 1orr h LEU 283 CO -0.91 1.04 0.36 -0.33 -0.00 0.00 0.00 178.44 178.60 1orr h GLU 284 N 0.44 0.61 0.24 1.13 5.08 0.17 2.15 114.58 124.39 1orr h GLU 284 Ca 0.05 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1orr h GLU 284 Cb 0.82 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1orr h GLU 284 CO 0.07 0.40 -0.12 -0.44 -1.00 0.00 0.00 179.01 177.92 1orr h ASP 285 N 0.63 -0.27 -0.75 1.42 3.32 -0.66 4.38 116.42 124.48 1orr h ASP 285 Ca 0.34 0.01 0.22 0.00 0.02 0.00 0.00 57.03 57.62 1orr h ASP 285 Cb 0.32 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1orr h ASP 285 CO -0.25 -0.03 0.69 0.22 -1.72 0.00 0.00 179.24 178.15 1orr h TYR 286 N -0.65 0.00 -0.00 4.55 3.20 -0.76 -0.31 116.97 123.00 1orr h TYR 286 Ca -0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1orr h TYR 286 Cb 0.25 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.52 1orr h TYR 286 CO 0.04 0.00 -0.30 0.00 -1.64 0.00 0.00 178.16 176.26 1orr n ASN 288 N -0.59 -3.78 -3.52 0.00 2.85 1.38 -4.96 115.26 106.64 1orr n ASN 288 Ca 0.03 -0.68 -0.14 0.00 -0.11 0.00 0.00 54.58 53.69 1orr n ASN 288 Cb 0.20 -5.04 -0.05 0.00 1.24 0.00 0.00 39.78 36.12 1orr n ASN 288 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1orr s ILE 289 N -3.40 0.00 -0.17 -1.44 1.01 0.20 -5.00 121.20 112.40 1orr s ILE 289 Ca 0.18 -1.64 0.01 0.00 0.00 0.00 0.00 60.65 59.20 1orr s ILE 289 Cb -0.03 -2.53 0.02 0.00 0.01 0.00 0.00 42.46 39.93 1orr s ILE 289 CO 0.74 0.00 -0.19 -1.81 0.00 0.00 0.00 174.94 173.69 1orr s ASP 290 N -3.19 3.00 -0.47 3.58 1.11 -1.26 -4.43 116.67 115.01 1orr s ASP 290 Ca 0.31 -0.60 -0.21 0.00 0.18 0.00 0.00 52.55 52.23 1orr s ASP 290 Cb 0.01 -1.39 0.03 0.00 1.07 0.00 0.00 42.92 42.64 1orr s ASP 290 CO 0.18 -0.01 0.67 -0.04 1.18 0.00 0.00 175.17 177.15 1orr s MET 291 N 1.31 3.25 -0.18 8.23 -1.94 -1.26 -5.04 119.30 123.67 1orr s MET 291 Ca 0.04 -0.47 -0.07 0.00 -1.71 0.00 0.00 55.69 53.48 1orr s MET 291 Cb -0.13 -3.99 -0.04 0.00 2.01 0.00 0.00 34.83 32.68 1orr s MET 291 CO -0.12 -1.11 0.05 1.03 -0.01 0.00 0.00 175.02 174.87 1orr s ARG 292 N 2.91 3.94 0.20 2.03 0.52 -1.26 -5.09 118.95 122.19 1orr s ARG 292 Ca 0.22 -0.36 -0.08 0.00 -0.52 0.00 0.00 55.73 54.98 1orr s ARG 292 Cb -0.15 -3.19 -0.01 0.00 0.52 0.00 0.00 34.95 32.12 1orr s ARG 292 CO 0.18 0.26 0.31 -0.59 0.02 0.00 0.00 175.30 175.47 1orr s PHE 293 N 0.40 0.55 0.17 -0.53 -0.12 -1.26 -3.44 117.98 113.75 1orr s PHE 293 Ca 0.02 -0.88 0.08 0.00 -0.05 0.00 0.00 56.93 56.10 1orr s PHE 293 Cb -0.13 -0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.13 1orr s PHE 293 CO 0.01 -0.78 -0.03 0.95 -0.05 0.00 0.00 175.22 175.31 1orr s THR 294 N -4.02 3.55 0.01 -4.49 -4.23 -0.01 -4.87 115.64 101.57 1orr s THR 294 Ca 0.23 -1.49 0.02 0.00 -1.18 0.00 0.00 61.69 59.27 1orr s THR 294 Cb 0.03 -2.78 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 1orr s THR 294 CO 0.05 -0.10 0.00 0.20 -0.54 0.00 0.00 174.62 174.23 1orr s ASN 295 N -2.88 5.11 0.54 3.99 -0.87 -1.26 -1.01 114.94 118.55 1orr s ASN 295 Ca 0.26 -0.02 0.03 0.00 -1.57 0.00 0.00 52.86 51.56 1orr s ASN 295 Cb -0.09 -1.32 0.02 0.00 -0.02 0.00 0.00 41.25 39.83 1orr s ASN 295 CO 0.17 0.27 0.21 -0.76 -2.57 0.00 0.00 177.10 174.43 1orr s LEU 296 N -1.62 2.46 0.66 0.60 1.02 0.10 -4.93 118.68 116.97 1orr s LEU 296 Ca 0.20 -1.46 -0.11 0.00 0.02 0.00 0.00 54.13 52.78 1orr s LEU 296 Cb -0.12 -0.95 -0.02 0.00 0.02 0.00 0.00 46.19 45.13 1orr s LEU 296 CO 0.11 -1.02 1.05 -2.84 0.02 0.00 0.00 176.35 173.67 1orr s PRO 297 N -4.10 3.27 0.39 1.29 0.02 -1.26 -1.94 135.00 132.67 1orr s PRO 297 Ca 0.19 0.84 -0.27 0.00 0.02 0.00 0.00 61.00 61.78 1orr s PRO 297 Cb -0.01 -2.04 -0.10 0.00 0.02 0.00 0.00 34.50 32.37 1orr s PRO 297 CO 0.12 -0.83 1.48 0.08 -0.33 0.00 0.00 177.00 177.51 1orr s VAL 298 N -3.12 2.05 0.94 3.83 1.01 -1.26 -3.63 120.40 120.21 1orr s VAL 298 Ca 0.56 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 62.49 1orr s VAL 298 Cb -0.12 -3.03 0.15 0.00 0.00 0.00 0.00 36.38 33.37 1orr s VAL 298 CO 0.54 0.01 1.05 0.54 0.00 0.00 0.00 175.10 177.24 1orr n ARG 299 N 0.31 -0.59 -1.74 2.72 1.74 -1.26 -4.88 116.66 112.96 1orr n ARG 299 Ca 0.02 -0.11 -0.42 0.00 -0.77 0.00 0.00 57.85 56.57 1orr n ARG 299 Cb 0.40 -2.30 -0.03 0.00 -1.02 0.00 0.00 32.46 29.50 1orr n ARG 299 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1orr s GLU 300 N -4.50 4.13 0.00 5.56 0.41 -1.26 -2.63 118.70 120.41 1orr s GLU 300 Ca 0.66 2.59 0.00 0.00 -0.41 0.00 0.00 54.97 57.81 1orr s GLU 300 Cb -0.23 -3.21 0.00 0.00 -1.78 0.00 0.00 34.13 28.91 1orr s GLU 300 CO 0.60 -0.77 0.00 0.43 -0.49 0.00 0.00 175.26 175.03 1orr n SER 301 N 4.41 -2.18 -4.53 -0.19 7.64 -1.26 -4.86 113.62 112.65 1orr n SER 301 Ca 0.16 0.00 -0.55 0.00 1.01 0.00 0.00 58.87 59.49 1orr n SER 301 Cb 0.36 -1.99 -0.07 0.00 -1.01 0.00 0.00 64.21 61.50 1orr n SER 301 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1orr n ASP 302 N 0.35 0.57 -4.73 6.43 2.03 -1.08 -4.10 116.55 116.01 1orr n ASP 302 Ca 0.00 1.14 -0.41 0.00 0.52 0.00 0.00 54.79 56.04 1orr n ASP 302 Cb 0.18 -1.04 -0.04 0.00 -0.72 0.00 0.00 41.12 39.50 1orr n ASP 302 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1orr s GLN 303 N 0.04 4.69 0.24 -0.67 -0.21 -1.26 -4.92 119.66 117.57 1orr s GLN 303 Ca 0.85 1.46 0.02 0.00 0.02 0.00 0.00 55.36 57.71 1orr s GLN 303 Cb -1.10 -3.38 0.27 0.00 1.00 0.00 0.00 33.01 29.80 1orr s GLN 303 CO 0.53 0.21 1.59 0.00 -2.12 0.00 0.00 175.29 175.50 1orr h ARG 304 N 5.58 0.39 -3.64 2.91 3.08 -1.91 -3.43 114.38 117.35 1orr h ARG 304 Ca -0.43 -0.22 -0.36 0.00 0.07 0.00 0.00 59.98 59.04 1orr h ARG 304 Cb 1.21 0.02 -0.36 0.00 0.08 0.00 0.00 29.97 30.92 1orr h ARG 304 CO 0.72 0.79 -0.75 0.08 -1.07 0.00 0.00 179.97 179.74 1orr s VAL 305 N -4.03 0.15 -0.26 2.04 1.01 -1.26 -0.02 120.40 118.03 1orr s VAL 305 Ca -0.06 0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 1orr s VAL 305 Cb 0.12 -0.29 0.09 0.00 0.00 0.00 0.00 36.38 36.30 1orr s VAL 305 CO 0.81 0.17 0.11 0.12 0.00 0.00 0.00 175.10 176.30 1orr s PHE 306 N 1.38 0.58 -0.05 5.22 5.36 0.54 -4.99 117.98 126.01 1orr s PHE 306 Ca -0.05 -0.88 0.01 0.00 -0.96 0.00 0.00 56.93 55.05 1orr s PHE 306 Cb -0.13 -0.99 0.02 0.00 -0.34 0.00 0.00 43.02 41.58 1orr s PHE 306 CO -0.03 -0.74 -0.07 0.08 -1.46 0.00 0.00 175.22 173.00 1orr s VAL 307 N 2.01 0.73 0.02 3.12 1.01 -1.26 -1.89 120.40 124.15 1orr s VAL 307 Ca 0.07 -0.24 -0.19 0.00 0.00 0.00 0.00 61.98 61.62 1orr s VAL 307 Cb -0.16 -0.72 -0.06 0.00 0.00 0.00 0.00 36.38 35.44 1orr s VAL 307 CO -0.26 0.27 0.55 0.00 0.00 0.00 0.00 175.10 175.66 1orr s ALA 308 N 0.85 3.56 -0.55 5.51 0.00 -1.26 -0.32 121.76 129.55 1orr s ALA 308 Ca -0.12 -0.01 -0.19 0.00 0.00 0.00 0.00 51.96 51.64 1orr s ALA 308 Cb -0.15 -2.65 0.08 0.00 0.00 0.00 0.00 23.12 20.40 1orr s ALA 308 CO 0.01 0.29 0.66 0.34 0.00 0.00 0.00 175.76 177.07 1orr s ASP 309 N -0.64 6.20 -0.02 0.00 -1.08 -0.21 -4.33 116.67 116.58 1orr s ASP 309 Ca 0.29 -1.14 0.08 0.00 -0.52 0.00 0.00 52.55 51.26 1orr s ASP 309 Cb -0.18 -2.30 0.27 0.00 -1.46 0.00 0.00 42.92 39.25 1orr s ASP 309 CO 0.17 -0.99 1.15 2.30 0.52 0.00 0.00 175.17 178.32 1orr n ILE 310 N 5.59 0.58 -0.29 4.11 -5.35 -1.26 -4.52 119.36 118.21 1orr n ILE 310 Ca -0.08 -0.43 0.08 0.00 -0.27 0.00 0.00 62.75 62.05 1orr n ILE 310 Cb 0.44 0.03 0.24 0.00 -1.74 0.00 0.00 39.64 38.61 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 1.67 0.56 -0.09 6.28 3.64 -1.91 -1.31 116.57 125.40 1orr h LYS 311 Ca 0.00 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1orr h LYS 311 Cb 0.57 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1orr h LYS 311 CO 0.05 0.37 0.03 -0.22 -2.27 0.00 0.00 179.45 177.42 1orr h LYS 312 N 0.58 0.08 -0.39 1.90 3.64 -1.93 0.47 116.57 120.91 1orr h LYS 312 Ca 0.48 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.73 1orr h LYS 312 Cb 0.72 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1orr h LYS 312 CO -0.39 0.05 -0.25 0.97 -2.27 0.00 0.00 179.45 177.56 1orr h ILE 313 N 0.08 1.27 -0.48 2.00 6.09 -1.77 -1.20 117.51 123.51 1orr h ILE 313 Ca 0.04 -1.38 -0.10 0.00 -1.37 0.00 0.00 64.86 62.04 1orr h ILE 313 Cb 0.02 1.24 -0.02 0.00 0.47 0.00 0.00 36.82 38.53 1orr h ILE 313 CO -0.04 0.46 -0.11 0.74 -3.07 0.00 0.00 178.15 176.13 1orr h THR 314 N 0.69 1.26 -0.03 2.19 2.02 -1.09 0.71 112.91 118.66 1orr h THR 314 Ca 0.09 -1.22 -0.10 0.00 0.77 0.00 0.00 66.41 65.95 1orr h THR 314 Cb 0.78 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1orr h THR 314 CO 0.06 0.42 -0.43 0.78 0.37 0.00 0.00 175.52 176.73 1orr h ASN 315 N 0.80 0.06 0.25 4.18 2.35 -0.75 0.12 115.58 122.59 1orr h ASN 315 Ca 0.13 -0.03 -0.34 0.00 -0.55 0.00 0.00 56.30 55.52 1orr h ASN 315 Cb 0.63 -0.02 0.04 0.00 0.05 0.00 0.00 38.32 39.02 1orr h ASN 315 CO 0.04 0.49 -1.49 0.00 -1.65 0.00 0.00 177.43 174.82 1orr h ALA 316 N 1.51 -0.15 0.00 -0.83 0.00 -0.41 -3.41 119.26 115.97 1orr h ALA 316 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1orr h ALA 316 Cb 0.79 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1orr h ALA 316 CO 0.06 0.70 -0.01 0.44 0.00 0.00 0.00 179.25 180.44 1orr n ILE 317 N -3.72 0.17 -2.42 0.00 -5.35 0.17 -5.01 119.36 103.20 1orr n ILE 317 Ca -0.17 -0.17 -0.19 0.00 -0.27 0.00 0.00 62.75 61.94 1orr n ILE 317 Cb 1.10 0.90 -0.01 0.00 -1.74 0.00 0.00 39.64 39.89 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 -0.09 -5.43 -4.85 7.28 2.03 0.43 -4.97 116.55 110.95 1orr n ASP 318 Ca 0.00 0.03 -0.34 0.00 0.52 0.00 0.00 54.79 55.00 1orr n ASP 318 Cb 0.47 -4.53 -0.06 0.00 -0.72 0.00 0.00 41.12 36.28 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 -2.94 3.51 -0.16 -0.67 -0.00 -1.26 -4.99 118.94 112.43 1orr s TRP 319 Ca 0.00 1.10 -0.23 0.00 -0.00 0.00 0.00 56.10 56.97 1orr s TRP 319 Cb -0.00 -2.42 0.06 0.00 -0.00 0.00 0.00 33.47 31.11 1orr s TRP 319 CO 0.00 0.30 0.60 -1.54 -0.00 0.00 0.00 176.95 176.31 1orr s SER 320 N -2.00 -0.60 0.30 5.86 1.04 -1.26 -4.21 113.70 112.83 1orr s SER 320 Ca 0.45 0.98 -0.29 0.00 0.48 0.00 0.00 55.95 57.57 1orr s SER 320 Cb -0.13 0.97 -0.10 0.00 0.10 0.00 0.00 66.02 66.86 1orr s SER 320 CO 0.20 -0.34 1.34 -2.16 0.98 0.00 0.00 173.24 173.25 1orr s PRO 321 N -0.25 4.34 0.00 4.02 0.04 -1.26 -4.93 135.00 136.96 1orr s PRO 321 Ca -0.04 2.22 0.04 0.00 0.04 0.00 0.00 61.00 63.26 1orr s PRO 321 Cb -0.03 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 1orr s PRO 321 CO 0.04 -0.24 0.18 1.63 0.04 0.00 0.00 177.00 178.64 1orr n LYS 322 N 1.26 5.60 -3.54 4.56 5.02 -1.26 -4.97 118.16 124.82 1orr n LYS 322 Ca 0.02 -0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 1orr n LYS 322 Cb 0.42 -0.69 -0.09 0.00 -0.02 0.00 0.00 35.03 34.64 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 -1.36 5.29 0.44 -0.18 1.01 -1.26 -5.06 120.40 119.27 1orr s VAL 323 Ca 0.02 0.39 -0.22 0.00 0.00 0.00 0.00 61.98 62.17 1orr s VAL 323 Cb 0.03 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 1orr s VAL 323 CO 0.16 0.29 1.02 -0.94 0.00 0.00 0.00 175.10 175.63 1orr s SER 324 N 1.16 6.65 0.21 3.32 1.04 -1.26 -4.73 113.70 120.09 1orr s SER 324 Ca 0.12 1.90 -0.09 0.00 0.48 0.00 0.00 55.95 58.36 1orr s SER 324 Cb -0.14 -2.56 0.28 0.00 0.10 0.00 0.00 66.02 63.69 1orr s SER 324 CO 0.07 -0.56 1.78 0.00 0.98 0.00 0.00 173.24 175.50 1orr h ALA 325 N 1.99 0.88 -0.55 5.32 0.00 -1.88 0.36 119.26 125.38 1orr h ALA 325 Ca -0.49 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1orr h ALA 325 Cb 1.21 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1orr h ALA 325 CO 0.61 -0.06 0.35 -0.22 0.00 0.00 0.00 179.25 179.93 1orr h LYS 326 N 0.57 0.73 -0.25 0.00 3.64 -1.97 0.22 116.57 119.51 1orr h LYS 326 Ca 0.31 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.58 1orr h LYS 326 Cb 0.30 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1orr h LYS 326 CO -0.24 0.50 -0.09 -0.44 -2.27 0.00 0.00 179.45 176.91 1orr h ASP 327 N 0.74 0.51 -0.46 4.20 3.32 -1.64 -2.40 116.42 120.68 1orr h ASP 327 Ca 0.20 -0.39 -0.12 0.00 0.02 0.00 0.00 57.03 56.74 1orr h ASP 327 Cb -0.05 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1orr h ASP 327 CO -0.04 0.79 -0.18 1.23 -1.72 0.00 0.00 179.24 179.32 1orr h GLY 328 N 0.23 1.04 1.00 2.75 0.00 -0.11 -2.73 103.07 105.26 1orr h GLY 328 Ca 0.06 -0.89 -0.02 0.00 0.00 0.00 0.00 47.33 46.48 1orr h GLY 328 CO 0.03 0.81 0.32 -2.08 0.00 0.00 0.00 176.54 175.62 1orr h VAL 329 N 0.84 1.23 -0.42 4.60 2.07 -0.57 0.34 116.25 124.34 1orr h VAL 329 Ca 0.12 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1orr h VAL 329 Cb 0.74 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1orr h VAL 329 CO 0.06 0.26 0.24 1.56 0.02 0.00 0.00 177.57 179.71 1orr h GLN 330 N 0.93 0.57 -0.44 1.57 4.20 -1.35 0.13 115.11 120.71 1orr h GLN 330 Ca 0.23 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 1orr h GLN 330 Cb 0.12 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1orr h GLN 330 CO -0.03 0.44 0.11 -0.22 -0.67 0.00 0.00 178.83 178.46 1orr h LYS 331 N 0.54 0.66 -0.53 1.46 3.64 -1.19 0.38 116.57 121.54 1orr h LYS 331 Ca 0.15 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 1orr h LYS 331 Cb 0.02 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1orr h LYS 331 CO -0.03 0.60 0.10 1.98 -2.27 0.00 0.00 179.45 179.84 1orr h MET 332 N 0.64 0.86 -0.05 1.90 4.05 0.48 0.41 114.93 123.24 1orr h MET 332 Ca 0.15 -0.22 0.02 0.00 -0.28 0.00 0.00 59.70 59.37 1orr h MET 332 Cb 0.24 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.91 1orr h MET 332 CO -0.00 0.84 -0.10 -0.92 0.23 0.00 0.00 176.91 176.96 1orr h TYR 333 N 0.75 -0.24 -0.18 1.39 3.20 -0.04 0.29 116.97 122.14 1orr h TYR 333 Ca 0.16 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.08 1orr h TYR 333 Cb 0.38 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.73 1orr h TYR 333 CO 0.03 -0.15 -0.06 -0.44 -1.64 0.00 0.00 178.16 175.90 1orr h ASP 334 N -0.14 -0.21 -0.37 -2.11 3.32 -0.45 0.08 116.42 116.54 1orr h ASP 334 Ca 0.05 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.19 1orr h ASP 334 Cb 0.21 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1orr h ASP 334 CO -0.13 -0.08 0.18 -0.25 -1.72 0.00 0.00 179.24 177.24 1orr h TRP 335 N -0.02 0.34 -0.58 4.55 7.01 0.21 -2.27 115.95 125.19 1orr h TRP 335 Ca 0.09 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.15 1orr h TRP 335 Cb 0.16 -0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 27.08 1orr h TRP 335 CO -0.22 0.18 0.32 1.15 -2.79 0.00 0.00 178.44 177.08 1orr h THR 336 N 0.38 0.99 0.00 2.65 2.02 0.20 -1.53 112.91 117.61 1orr h THR 336 Ca 0.16 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1orr h THR 336 Cb 0.07 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1orr h THR 336 CO -0.11 0.11 -0.10 0.77 0.37 0.00 0.00 175.52 176.56 1orr h SER 337 N 0.61 0.00 0.00 4.18 4.64 -0.74 -1.76 113.55 120.48 1orr h SER 337 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1orr h SER 337 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1orr h SER 337 CO -0.15 0.10 0.00 -1.20 -0.87 0.00 0.00 176.83 174.71 1orr n SER 338 N -4.03 0.00 0.00 4.97 7.64 -0.58 -5.11 113.62 116.51 1orr n SER 338 Ca -0.02 -1.76 0.00 0.00 1.01 0.00 0.00 58.87 58.10 1orr n SER 338 Cb 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1orr n SER 338 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65