#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 4.23 -0.13 0.00 1.02 -1.26 -2.77 119.74 120.83 1orr s LYS 3 Ca 0.00 0.07 0.02 0.00 0.02 0.00 0.00 55.97 56.08 1orr s LYS 3 Cb 0.00 -3.45 0.00 0.00 -0.52 0.00 0.00 37.83 33.86 1orr s LYS 3 CO 0.00 0.18 -0.21 -1.17 -0.92 0.00 0.00 175.35 173.23 1orr s LEU 4 N 0.66 2.23 -0.16 3.17 2.96 0.87 -0.38 118.68 128.04 1orr s LEU 4 Ca 0.16 -0.53 -0.05 0.00 -0.22 0.00 0.00 54.13 53.49 1orr s LEU 4 Cb -0.13 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 1orr s LEU 4 CO 0.04 0.12 -0.00 -0.22 -1.32 0.00 0.00 176.35 174.97 1orr s LEU 5 N 0.58 3.46 -0.25 -0.68 2.96 -0.28 -0.64 118.68 123.84 1orr s LEU 5 Ca -0.12 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1orr s LEU 5 Cb -0.16 -1.85 0.06 0.00 0.50 0.00 0.00 46.19 44.73 1orr s LEU 5 CO 0.03 0.18 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.50 1orr s ILE 6 N 0.29 2.18 0.23 6.68 1.01 0.66 -0.94 121.20 131.31 1orr s ILE 6 Ca -0.01 -1.55 -0.21 0.00 0.00 0.00 0.00 60.65 58.87 1orr s ILE 6 Cb -0.13 -2.24 -0.08 0.00 0.01 0.00 0.00 42.46 40.01 1orr s ILE 6 CO 0.02 0.03 0.77 0.42 0.00 0.00 0.00 174.94 176.18 1orr s THR 7 N 1.13 4.48 -1.12 2.92 -4.23 -0.68 -1.41 115.64 116.72 1orr s THR 7 Ca -0.07 1.43 0.00 0.00 -1.18 0.00 0.00 61.69 61.87 1orr s THR 7 Cb -0.19 -3.92 0.00 0.00 1.34 0.00 0.00 72.50 69.73 1orr s THR 7 CO -0.06 0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.87 1orr n GLY 8 N 0.81 0.45 0.11 3.99 0.00 0.84 -2.12 105.19 109.28 1orr n GLY 8 Ca -0.02 -0.42 0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.22 -0.92 1.24 -0.02 0.00 -1.16 -1.81 105.19 101.30 1orr n GLY 9 Ca -0.13 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 1.58 -0.11 0.36 0.00 0.00 -0.75 -4.26 105.19 102.02 1orr n GLY 11 Ca 0.22 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.64 -0.86 -0.00 1.61 3.57 -1.86 -0.39 116.94 118.38 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 0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 1orr h PHE 12 CO 0.00 -0.53 0.00 -0.07 -2.23 0.00 0.00 178.31 175.48 1orr h LEU 13 N -0.93 0.00 -0.33 0.59 4.07 -1.90 -2.61 115.31 114.21 1orr h LEU 13 Ca -0.09 -0.01 0.05 0.00 0.08 0.00 0.00 57.88 57.91 1orr h LEU 13 Cb 0.71 -0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.40 1orr h LEU 13 CO 0.15 0.01 0.04 1.23 -1.08 0.00 0.00 178.44 178.80 1orr h GLY 14 N -0.00 0.36 1.47 0.83 0.00 -1.72 -0.62 103.07 103.39 1orr h GLY 14 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1orr h GLY 14 CO -0.00 -0.04 -0.12 1.48 0.00 0.00 0.00 176.54 177.86 1orr h SER 15 N 0.15 0.62 -0.50 0.19 4.64 -0.44 0.20 113.55 118.41 1orr h SER 15 Ca 0.15 -0.17 -0.07 0.00 -0.47 0.00 0.00 61.79 61.23 1orr h SER 15 Cb 0.18 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1orr h SER 15 CO -0.22 0.77 0.05 0.78 -0.87 0.00 0.00 176.83 177.33 1orr h ASN 16 N 0.58 0.83 -0.47 4.97 2.35 -1.05 -1.47 115.58 121.32 1orr h ASN 16 Ca 0.10 -0.28 -0.11 0.00 -0.55 0.00 0.00 56.30 55.46 1orr h ASN 16 Cb 0.55 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 1orr h ASN 16 CO 0.03 0.91 -0.12 -0.07 -1.65 0.00 0.00 177.43 176.53 1orr h LEU 17 N 0.73 0.96 -0.93 1.61 3.38 -0.69 -2.67 115.31 117.69 1orr h LEU 17 Ca 0.15 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1orr h LEU 17 Cb 0.45 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1orr h LEU 17 CO 0.02 1.08 0.30 0.00 0.09 0.00 0.00 178.44 179.92 1orr h ALA 18 N 1.00 1.15 -0.46 1.53 0.00 -0.40 -0.45 119.26 121.63 1orr h ALA 18 Ca 0.13 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1orr h ALA 18 Cb 0.67 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1orr h ALA 18 CO 0.05 0.61 0.07 0.66 0.00 0.00 0.00 179.25 180.64 1orr h SER 19 N 1.05 0.66 -0.31 0.00 4.64 -1.06 0.53 113.55 119.06 1orr h SER 19 Ca 0.25 -0.12 -0.14 0.00 -0.47 0.00 0.00 61.79 61.31 1orr h SER 19 Cb 0.19 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1orr h SER 19 CO -0.02 0.68 -0.34 0.15 -0.87 0.00 0.00 176.83 176.43 1orr h PHE 20 N 0.68 0.94 -0.95 4.77 3.57 -1.04 -1.54 116.94 123.37 1orr h PHE 20 Ca 0.15 -0.29 0.07 0.00 3.53 0.00 0.00 57.97 61.43 1orr h PHE 20 Cb 0.32 -0.19 -0.07 0.00 2.79 0.00 0.00 35.95 38.79 1orr h PHE 20 CO 0.02 1.07 0.60 0.00 -2.23 0.00 0.00 178.31 177.77 1orr h ALA 21 N 0.71 1.32 -0.35 2.41 0.00 -0.29 -1.15 119.26 121.91 1orr h ALA 21 Ca 0.04 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1orr h ALA 21 Cb 0.93 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1orr h ALA 21 CO 0.08 0.36 -0.14 -0.07 0.00 0.00 0.00 179.25 179.49 1orr h LEU 22 N 1.08 0.61 -0.69 0.00 3.38 -0.71 0.63 115.31 119.61 1orr h LEU 22 Ca 0.42 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1orr h LEU 22 Cb 0.20 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1orr h LEU 22 CO -0.18 0.77 -0.21 0.77 0.09 0.00 0.00 178.44 179.68 1orr h SER 23 N 0.57 0.00 -0.03 -0.43 4.64 -0.51 -2.95 113.55 114.83 1orr h SER 23 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1orr h SER 23 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1orr h SER 23 CO 0.04 0.21 0.00 0.00 -0.87 0.00 0.00 176.83 176.21 1orr n GLN 24 N -3.25 2.00 -1.37 4.77 1.13 -0.51 -4.94 117.38 115.20 1orr n GLN 24 Ca 0.01 -1.45 -0.09 0.00 -1.94 0.00 0.00 57.00 53.54 1orr n GLN 24 Cb 0.50 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.35 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 1.26 0.94 3.74 1.08 0.00 -0.82 -5.00 105.19 106.40 1orr n GLY 25 Ca 0.17 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.35 4.21 0.00 -0.61 1.01 0.15 -4.97 121.20 118.65 1orr s ILE 26 Ca 0.00 1.94 -0.30 0.00 0.00 0.00 0.00 60.65 62.28 1orr s ILE 26 Cb 0.00 -4.23 -0.06 0.00 0.01 0.00 0.00 42.46 38.17 1orr s ILE 26 CO 0.00 0.35 1.52 -1.81 0.00 0.00 0.00 174.94 175.00 1orr s ASP 27 N -0.31 6.74 -0.04 3.58 1.01 -1.11 -4.57 116.67 121.97 1orr s ASP 27 Ca 0.46 2.23 0.06 0.00 0.71 0.00 0.00 52.55 56.01 1orr s ASP 27 Cb -0.26 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.10 1orr s ASP 27 CO 0.32 -0.81 -0.21 -0.22 0.21 0.00 0.00 175.17 174.46 1orr s LEU 28 N 2.82 2.31 -0.10 1.23 2.96 -1.26 -0.09 118.68 126.56 1orr s LEU 28 Ca 0.68 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 54.23 1orr s LEU 28 Cb -0.34 -1.43 0.01 0.00 0.50 0.00 0.00 46.19 44.93 1orr s LEU 28 CO 0.28 0.30 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.84 1orr s ILE 29 N -0.49 1.42 -0.12 6.68 1.09 0.19 -1.65 121.20 128.33 1orr s ILE 29 Ca 0.06 -0.61 -0.01 0.00 -1.10 0.00 0.00 60.65 58.99 1orr s ILE 29 Cb -0.11 -1.30 -0.02 0.00 -1.06 0.00 0.00 42.46 39.97 1orr s ILE 29 CO 0.01 0.42 -0.10 -0.69 -0.10 0.00 0.00 174.94 174.48 1orr s VAL 30 N 0.86 3.36 -0.18 2.92 1.01 0.58 -0.24 120.40 128.71 1orr s VAL 30 Ca -0.10 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1orr s VAL 30 Cb -0.15 -2.42 0.03 0.00 0.00 0.00 0.00 36.38 33.84 1orr s VAL 30 CO 0.01 0.53 -0.16 0.12 0.00 0.00 0.00 175.10 175.59 1orr s PHE 31 N 0.12 2.58 0.08 5.22 5.36 -0.50 0.03 117.98 130.87 1orr s PHE 31 Ca -0.04 -1.56 -0.24 0.00 -0.96 0.00 0.00 56.93 54.13 1orr s PHE 31 Cb -0.14 -1.78 0.06 0.00 -0.34 0.00 0.00 43.02 40.81 1orr s PHE 31 CO 0.04 -0.76 0.59 0.34 -1.46 0.00 0.00 175.22 173.96 1orr s ASP 32 N 1.35 -0.54 0.00 6.13 -1.08 -1.09 -0.11 116.67 121.33 1orr s ASP 32 Ca 0.03 0.18 0.23 0.00 -0.52 0.00 0.00 52.55 52.48 1orr s ASP 32 Cb -0.14 0.55 0.16 0.00 -1.46 0.00 0.00 42.92 42.04 1orr s ASP 32 CO -0.11 -0.82 1.22 -0.46 0.52 0.00 0.00 175.17 175.52 1orr n ASN 33 N 0.10 2.85 -2.13 -0.34 6.94 -1.17 -1.85 115.26 119.66 1orr n ASN 33 Ca -0.18 -1.92 -0.19 0.00 -0.02 0.00 0.00 54.58 52.27 1orr n ASN 33 Cb 0.62 0.06 -0.02 0.00 -2.36 0.00 0.00 39.78 38.08 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 1.16 -1.83 0.10 -4.53 4.77 -1.26 -4.91 117.00 110.49 1orr n LEU 34 Ca 0.13 0.02 -0.04 0.00 -0.03 0.00 0.00 56.01 56.09 1orr n LEU 34 Cb 0.57 -2.74 0.02 0.00 -2.33 0.00 0.00 43.42 38.95 1orr n LEU 34 CO 0.16 -0.27 0.32 0.77 -1.33 0.00 0.00 177.39 177.04 1orr h SER 35 N 0.00 0.00 -3.28 -1.43 4.64 -1.98 -3.45 113.55 108.04 1orr h SER 35 Ca -0.45 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.33 1orr h SER 35 Cb 1.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 1orr h SER 35 CO 0.54 0.81 0.49 -0.60 -0.87 0.00 0.00 176.83 177.20 1orr s ARG 36 N -3.15 4.48 0.15 4.77 6.06 -1.26 -4.98 118.95 125.01 1orr s ARG 36 Ca -0.00 1.58 -0.31 0.00 -2.50 0.00 0.00 55.73 54.49 1orr s ARG 36 Cb 0.11 -3.43 -0.11 0.00 0.06 0.00 0.00 34.95 31.58 1orr s ARG 36 CO 0.79 -0.19 1.80 0.21 -2.50 0.00 0.00 175.30 175.41 1orr s LYS 37 N 1.23 4.13 0.00 5.12 2.20 -1.26 -0.87 119.74 130.29 1orr s LYS 37 Ca 0.55 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.75 1orr s LYS 37 Cb -0.24 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 1orr s LYS 37 CO 0.27 -0.81 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 1orr n GLY 38 N 4.16 2.54 0.34 5.54 0.00 -1.26 -4.78 105.19 111.73 1orr n GLY 38 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 1.19 -0.82 4.61 0.00 -1.18 0.11 119.26 123.17 1orr h ALA 39 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1orr h ALA 39 Cb 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 1orr h ALA 39 CO 0.00 0.45 0.35 1.15 0.00 0.00 0.00 179.25 181.20 1orr h THR 40 N 1.14 1.26 -0.51 0.00 2.02 -1.86 0.85 112.91 115.81 1orr h THR 40 Ca 0.36 -0.80 -0.04 0.00 0.77 0.00 0.00 66.41 66.70 1orr h THR 40 Cb -0.00 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 1orr h THR 40 CO -0.12 0.33 0.15 0.44 0.37 0.00 0.00 175.52 176.69 1orr h ASP 41 N 1.18 0.76 -0.72 4.18 3.32 -1.72 -1.65 116.42 121.76 1orr h ASP 41 Ca 0.27 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1orr h ASP 41 Cb 0.18 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1orr h ASP 41 CO -0.03 0.77 0.42 0.78 -1.72 0.00 0.00 179.24 179.46 1orr h ASN 42 N 0.70 0.88 -0.82 6.45 2.35 -0.38 0.21 115.58 124.97 1orr h ASN 42 Ca 0.16 -0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 1orr h ASN 42 Cb 0.29 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 1orr h ASN 42 CO -0.00 0.71 0.41 0.25 -1.65 0.00 0.00 177.43 177.14 1orr h LEU 43 N 0.99 1.06 -0.76 1.61 5.85 -0.46 0.27 115.31 123.87 1orr h LEU 43 Ca 0.26 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1orr h LEU 43 Cb 0.00 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 1orr h LEU 43 CO -0.04 0.89 0.16 0.45 -0.34 0.00 0.00 178.44 179.55 1orr h HIS 44 N 1.16 1.15 -0.34 1.25 3.86 -0.52 -0.89 115.15 120.81 1orr h HIS 44 Ca 0.28 -0.14 -0.06 0.00 -1.16 0.00 0.00 60.37 59.30 1orr h HIS 44 Cb 0.10 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.23 1orr h HIS 44 CO 0.01 0.94 -0.01 2.35 0.86 0.00 0.00 177.93 182.07 1orr h TRP 45 N 1.04 0.67 -0.71 2.45 7.01 -0.15 -2.77 115.95 123.49 1orr h TRP 45 Ca 0.21 -0.12 0.00 0.00 2.11 0.00 0.00 58.89 61.10 1orr h TRP 45 Cb 0.37 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.23 1orr h TRP 45 CO 0.03 0.73 0.45 -0.07 -2.79 0.00 0.00 178.44 176.79 1orr h LEU 46 N 0.41 0.83 -2.43 0.65 3.38 -0.67 -1.29 115.31 116.18 1orr h LEU 46 Ca 0.09 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1orr h LEU 46 Cb 0.47 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1orr h LEU 46 CO 0.02 0.62 0.07 0.28 0.09 0.00 0.00 178.44 179.52 1orr h SER 47 N 0.96 0.00 1.38 -0.43 0.02 -1.00 0.37 113.55 114.84 1orr h SER 47 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1orr h SER 47 Cb -0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1orr h SER 47 CO -0.05 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.10 1orr n SER 48 N -3.74 0.67 0.01 3.07 3.41 -0.50 -3.59 113.62 112.95 1orr n SER 48 Ca -0.02 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1orr n SER 48 Cb 0.16 -0.75 -0.10 0.00 -0.26 0.00 0.00 64.21 63.26 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 -2.13 0.63 0.00 1.04 4.77 0.13 -5.06 117.00 116.37 1orr n LEU 49 Ca 0.06 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1orr n LEU 49 Cb 0.41 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1orr n LEU 49 CO 0.29 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1orr n GLY 50 N 1.42 -1.46 3.84 -0.72 0.00 -0.99 -4.90 105.19 102.39 1orr n GLY 50 Ca -0.12 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.77 6.12 0.31 1.61 0.01 -1.26 -4.43 114.94 115.53 1orr s ASN 51 Ca 0.00 0.37 -0.19 0.00 -0.71 0.00 0.00 52.86 52.33 1orr s ASN 51 Cb 0.00 -1.92 0.04 0.00 0.41 0.00 0.00 41.25 39.79 1orr s ASN 51 CO 0.00 0.38 0.80 0.72 -1.51 0.00 0.00 177.10 177.49 1orr s PHE 52 N -1.04 -0.02 -0.24 2.20 -0.12 -1.26 -4.79 117.98 112.70 1orr s PHE 52 Ca 0.16 -0.51 -0.13 0.00 -0.05 0.00 0.00 56.93 56.40 1orr s PHE 52 Cb -0.12 0.76 -0.04 0.00 -0.63 0.00 0.00 43.02 42.99 1orr s PHE 52 CO 0.06 -1.32 0.28 -1.21 -0.05 0.00 0.00 175.22 172.98 1orr s GLU 53 N -2.99 4.07 -0.19 1.99 0.41 -0.66 -5.01 118.70 116.32 1orr s GLU 53 Ca 0.14 -0.06 -0.07 0.00 -0.41 0.00 0.00 54.97 54.57 1orr s GLU 53 Cb -0.05 -3.58 -0.04 0.00 -1.78 0.00 0.00 34.13 28.69 1orr s GLU 53 CO 0.08 -0.08 0.05 0.12 -0.49 0.00 0.00 175.26 174.95 1orr s PHE 54 N 1.45 3.17 -0.21 1.61 5.36 -1.26 -0.30 117.98 127.80 1orr s PHE 54 Ca 0.13 -0.10 0.01 0.00 -0.96 0.00 0.00 56.93 56.01 1orr s PHE 54 Cb -0.15 -2.10 0.05 0.00 -0.34 0.00 0.00 43.02 40.49 1orr s PHE 54 CO 0.08 0.01 -0.08 0.08 -1.46 0.00 0.00 175.22 173.84 1orr s VAL 55 N 0.66 1.54 0.21 3.12 1.01 0.10 -4.95 120.40 122.09 1orr s VAL 55 Ca 0.02 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 60.67 1orr s VAL 55 Cb -0.13 -1.69 -0.08 0.00 0.00 0.00 0.00 36.38 34.47 1orr s VAL 55 CO 0.02 0.07 1.09 -2.28 0.00 0.00 0.00 175.10 174.00 1orr s HIS 56 N 1.42 3.61 -0.02 5.22 2.46 -1.26 -2.65 115.29 124.06 1orr s HIS 56 Ca -0.03 1.64 -0.30 0.00 0.47 0.00 0.00 55.06 56.84 1orr s HIS 56 Cb -0.17 -3.27 0.11 0.00 -0.13 0.00 0.00 32.58 29.12 1orr s HIS 56 CO -0.07 -0.55 1.10 0.20 -2.47 0.00 0.00 174.74 172.95 1orr s GLY 57 N -0.36 -0.35 -0.28 1.59 0.00 -0.77 -4.88 107.32 102.27 1orr s GLY 57 Ca 0.48 0.89 -0.05 0.00 0.00 0.00 0.00 44.72 46.04 1orr s GLY 57 CO 0.36 0.26 0.02 -0.35 0.00 0.00 0.00 173.10 173.39 1orr s ASP 58 N -2.64 4.79 0.56 1.64 -1.08 -1.26 -3.02 116.67 115.66 1orr s ASP 58 Ca 0.10 -0.78 0.28 0.00 -0.52 0.00 0.00 52.55 51.63 1orr s ASP 58 Cb 0.01 -1.79 1.46 0.00 -1.46 0.00 0.00 42.92 41.14 1orr s ASP 58 CO -0.04 -0.16 1.96 -0.29 0.52 0.00 0.00 175.17 177.16 1orr h ILE 59 N 5.98 0.57 0.00 4.11 6.09 -1.96 0.12 117.51 132.42 1orr h ILE 59 Ca -0.32 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.14 1orr h ILE 59 Cb 1.12 0.68 -0.01 0.00 0.47 0.00 0.00 36.82 39.08 1orr h ILE 59 CO 0.59 0.00 -0.17 0.03 -3.07 0.00 0.00 178.15 175.53 1orr h ARG 60 N 0.00 0.00 -5.98 2.19 3.08 -1.87 -3.36 114.38 108.44 1orr h ARG 60 Ca 0.25 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.70 1orr h ARG 60 Cb 1.12 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.07 1orr h ARG 60 CO -0.00 0.17 0.50 1.21 -1.07 0.00 0.00 179.97 180.79 1orr s ASN 61 N -6.12 6.57 0.25 7.04 3.84 0.42 -4.79 114.94 122.14 1orr s ASN 61 Ca -0.00 0.32 -0.05 0.00 0.21 0.00 0.00 52.86 53.34 1orr s ASN 61 Cb 0.11 -2.43 0.35 0.00 -0.55 0.00 0.00 41.25 38.73 1orr s ASN 61 CO 0.61 -0.88 1.86 0.50 -2.79 0.00 0.00 177.10 176.40 1orr h LYS 62 N 8.68 0.99 -0.30 0.43 3.64 -1.84 -1.93 116.57 126.24 1orr h LYS 62 Ca -0.24 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.07 1orr h LYS 62 Cb 1.08 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1orr h LYS 62 CO 0.97 0.66 0.13 -0.97 -2.27 0.00 0.00 179.45 177.97 1orr h ASN 63 N 1.02 0.41 -0.42 4.20 -1.24 -1.94 0.09 115.58 117.70 1orr h ASN 63 Ca 0.39 -0.14 0.04 0.00 0.71 0.00 0.00 56.30 57.29 1orr h ASN 63 Cb 0.17 -0.11 -0.04 0.00 0.73 0.00 0.00 38.32 39.07 1orr h ASN 63 CO -0.17 0.44 0.20 0.44 -1.29 0.00 0.00 177.43 177.05 1orr h ASP 64 N 0.35 0.28 -0.23 1.15 5.19 -1.78 -0.48 116.42 120.91 1orr h ASP 64 Ca 0.10 0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 56.48 1orr h ASP 64 Cb 0.15 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 1orr h ASP 64 CO -0.01 0.20 -0.10 0.58 -3.12 0.00 0.00 179.24 176.79 1orr h VAL 65 N 0.40 1.30 -0.53 -1.35 2.07 -1.15 -1.95 116.25 115.05 1orr h VAL 65 Ca 0.19 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 1orr h VAL 65 Cb 0.11 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1orr h VAL 65 CO -0.14 0.36 0.26 0.74 0.02 0.00 0.00 177.57 178.80 1orr h THR 66 N 0.18 1.19 -0.31 2.57 2.02 -0.85 -1.98 112.91 115.74 1orr h THR 66 Ca 0.05 -0.54 -0.07 0.00 0.77 0.00 0.00 66.41 66.63 1orr h THR 66 Cb 0.59 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1orr h THR 66 CO 0.03 0.22 -0.09 0.03 0.37 0.00 0.00 175.52 176.08 1orr h ARG 67 N 0.70 0.52 -0.09 6.66 3.08 -1.06 -1.23 114.38 122.96 1orr h ARG 67 Ca 0.18 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1orr h ARG 67 Cb 0.11 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1orr h ARG 67 CO -0.02 0.61 0.06 1.25 -1.07 0.00 0.00 179.97 180.79 1orr h LEU 68 N 0.49 0.11 -0.29 3.04 5.85 -1.00 0.84 115.31 124.34 1orr h LEU 68 Ca 0.09 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1orr h LEU 68 Cb 0.45 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1orr h LEU 68 CO 0.02 0.12 0.11 0.40 -0.34 0.00 0.00 178.44 178.75 1orr h ILE 69 N 0.09 1.19 -0.26 4.05 1.08 -1.09 -1.26 117.51 121.31 1orr h ILE 69 Ca 0.03 -0.59 -0.13 0.00 -0.39 0.00 0.00 64.86 63.79 1orr h ILE 69 Cb 0.03 1.03 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 1orr h ILE 69 CO -0.01 0.20 -0.37 0.71 -0.69 0.00 0.00 178.15 177.99 1orr h THR 70 N 0.32 1.29 -0.16 -0.27 1.35 -1.16 0.26 112.91 114.54 1orr h THR 70 Ca 0.10 -1.51 -0.21 0.00 -0.55 0.00 0.00 66.41 64.23 1orr h THR 70 Cb 0.21 1.50 0.01 0.00 -1.73 0.00 0.00 68.15 68.13 1orr h THR 70 CO -0.01 0.48 -0.71 0.50 -0.25 0.00 0.00 175.52 175.53 1orr h LYS 71 N 0.49 0.76 0.00 4.72 3.64 -0.73 -3.36 116.57 122.09 1orr h LYS 71 Ca 0.05 -0.61 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 1orr h LYS 71 Cb 0.86 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1orr h LYS 71 CO 0.07 1.22 -1.60 0.66 -2.27 0.00 0.00 179.45 177.53 1orr n TYR 72 N -4.00 0.00 -4.12 1.91 4.02 -0.48 -5.01 117.16 109.48 1orr n TYR 72 Ca -0.07 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.45 1orr n TYR 72 Cb 0.71 -0.31 -0.04 0.00 -0.02 0.00 0.00 39.34 39.69 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 -1.96 -0.59 -1.29 -0.72 2.81 0.90 -4.87 117.12 111.41 1orr n MET 73 Ca -0.01 0.04 -0.35 0.00 -1.81 0.00 0.00 57.70 55.58 1orr n MET 73 Cb 0.46 -2.73 0.11 0.00 -0.71 0.00 0.00 33.22 30.35 1orr n MET 73 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1orr n PRO 74 N -4.56 0.44 0.03 0.03 -0.04 -1.26 -4.92 135.00 124.72 1orr n PRO 74 Ca -0.20 0.22 -0.05 0.00 -0.04 0.00 0.00 63.50 63.42 1orr n PRO 74 Cb 0.58 -2.41 -0.11 0.00 -0.04 0.00 0.00 33.50 31.52 1orr n PRO 74 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1orr h ASP 75 N -0.47 0.00 -5.13 3.54 3.32 -1.04 -3.42 116.42 113.21 1orr h ASP 75 Ca -0.47 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.46 1orr h ASP 75 Cb 1.31 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.70 1orr h ASP 75 CO 0.47 0.87 -0.49 -0.44 -1.72 0.00 0.00 179.24 177.94 1orr s SER 76 N -6.24 0.20 -0.10 6.45 0.01 -0.68 -1.42 113.70 111.93 1orr s SER 76 Ca -0.02 -0.62 -0.09 0.00 1.31 0.00 0.00 55.95 56.53 1orr s SER 76 Cb 0.09 0.26 0.03 0.00 0.21 0.00 0.00 66.02 66.60 1orr s SER 76 CO 0.81 -0.59 0.26 0.00 0.41 0.00 0.00 173.24 174.14 1orr s PHE 78 N 0.11 3.20 -0.79 0.00 0.08 -0.11 -1.06 117.98 119.40 1orr s PHE 78 Ca -0.00 -1.25 -0.16 0.00 0.12 0.00 0.00 56.93 55.63 1orr s PHE 78 Cb -0.02 -2.25 0.17 0.00 -0.57 0.00 0.00 43.02 40.36 1orr s PHE 78 CO 0.00 -0.67 0.82 -1.58 -0.10 0.00 0.00 175.22 173.69 1orr s HIS 79 N 1.43 3.46 -0.72 0.36 2.46 -0.39 -1.69 115.29 120.21 1orr s HIS 79 Ca 0.00 -1.65 0.10 0.00 0.47 0.00 0.00 55.06 53.98 1orr s HIS 79 Cb -0.18 -3.95 -0.05 0.00 -0.13 0.00 0.00 32.58 28.27 1orr s HIS 79 CO 0.02 -1.15 0.54 1.28 -2.47 0.00 0.00 174.74 172.96 1orr n LEU 80 N 5.00 0.88 -4.69 8.88 4.77 -0.90 -3.56 117.00 127.38 1orr n LEU 80 Ca 0.10 -0.65 -0.42 0.00 -0.03 0.00 0.00 56.01 55.01 1orr n LEU 80 Cb 0.46 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 1orr n LEU 80 CO 0.42 0.19 1.32 0.00 -1.33 0.00 0.00 177.39 177.99 1orr s ALA 81 N -1.61 3.68 0.20 -1.18 0.00 -1.06 -4.66 121.76 117.13 1orr s ALA 81 Ca 0.06 1.19 -0.24 0.00 0.00 0.00 0.00 51.96 52.98 1orr s ALA 81 Cb 0.08 -3.69 0.05 0.00 0.00 0.00 0.00 23.12 19.55 1orr s ALA 81 CO 0.32 -1.10 0.88 0.20 0.00 0.00 0.00 175.76 176.05 1orr s GLY 82 N 2.40 -0.18 -0.39 0.00 0.00 -1.26 -4.87 107.32 103.02 1orr s GLY 82 Ca 0.74 -0.02 -0.16 0.00 0.00 0.00 0.00 44.72 45.27 1orr s GLY 82 CO 0.32 -0.03 0.38 1.62 0.00 0.00 0.00 173.10 175.39 1orr s GLN 83 N -3.50 3.25 0.00 2.90 -0.44 -1.26 -4.97 119.66 115.64 1orr s GLN 83 Ca 0.12 -0.68 0.23 0.00 -2.50 0.00 0.00 55.36 52.53 1orr s GLN 83 Cb -0.03 -3.91 0.17 0.00 -1.64 0.00 0.00 33.01 27.60 1orr s GLN 83 CO 0.04 -0.70 1.18 1.33 0.50 0.00 0.00 175.29 177.64 1orr n VAL 84 N 5.31 0.00 -4.39 1.34 0.24 -1.26 -4.94 118.33 114.63 1orr n VAL 84 Ca -0.09 -0.06 -0.35 0.00 -2.04 0.00 0.00 64.34 61.81 1orr n VAL 84 Cb 0.48 0.72 -0.10 0.00 -1.47 0.00 0.00 33.84 33.47 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 -2.85 3.21 0.13 2.33 0.00 -1.26 -4.94 121.76 118.38 1orr s ALA 85 Ca 0.13 -0.82 -0.14 0.00 0.00 0.00 0.00 51.96 51.13 1orr s ALA 85 Cb 0.17 -1.48 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 1orr s ALA 85 CO 0.72 0.51 1.57 1.98 0.00 0.00 0.00 175.76 180.54 1orr h MET 86 N 5.48 0.76 -0.17 0.00 4.05 -1.93 -2.46 114.93 120.66 1orr h MET 86 Ca -0.47 -0.25 0.05 0.00 -0.28 0.00 0.00 59.70 58.75 1orr h MET 86 Cb 1.19 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.88 1orr h MET 86 CO 0.56 0.84 -0.13 1.79 0.23 0.00 0.00 176.91 180.20 1orr h THR 87 N 0.59 0.62 -0.34 -0.77 1.35 -1.94 -2.04 112.91 110.38 1orr h THR 87 Ca 0.12 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.94 1orr h THR 87 Cb 0.51 0.62 -0.02 0.00 -1.73 0.00 0.00 68.15 67.53 1orr h THR 87 CO 0.02 0.00 0.06 0.74 -0.25 0.00 0.00 175.52 176.10 1orr h THR 88 N -0.14 1.17 -0.12 6.82 2.02 -1.92 -1.73 112.91 119.01 1orr h THR 88 Ca 0.11 -0.61 -0.04 0.00 0.77 0.00 0.00 66.41 66.63 1orr h THR 88 Cb 0.29 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1orr h THR 88 CO -0.26 0.22 -0.11 0.77 0.37 0.00 0.00 175.52 176.51 1orr h SER 89 N 0.49 0.17 0.06 4.18 4.64 -0.89 0.44 113.55 122.65 1orr h SER 89 Ca 0.11 -0.03 -0.22 0.00 -0.47 0.00 0.00 61.79 61.19 1orr h SER 89 Cb 0.22 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1orr h SER 89 CO -0.00 0.31 -0.81 0.40 -0.87 0.00 0.00 176.83 175.85 1orr h ILE 90 N 0.18 1.32 0.00 0.95 2.04 -0.89 -1.66 117.51 119.45 1orr h ILE 90 Ca 0.04 -2.12 -0.04 0.00 1.00 0.00 0.00 64.86 63.74 1orr h ILE 90 Cb 0.31 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 1orr h ILE 90 CO 0.02 0.65 -0.44 -0.78 0.00 0.00 0.00 178.15 177.60 1orr h ASP 91 N 0.40 0.00 -1.69 1.72 3.58 -0.63 -3.39 116.42 116.41 1orr h ASP 91 Ca -0.06 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 56.91 1orr h ASP 91 Cb 1.43 0.00 -0.36 0.00 1.72 0.00 0.00 39.33 42.12 1orr h ASP 91 CO 0.15 0.17 -1.04 -3.20 -2.88 0.00 0.00 179.24 172.45 1orr n ASN 92 N -3.03 -0.07 0.09 2.28 2.85 0.15 -4.96 115.26 112.56 1orr n ASN 92 Ca 0.02 -2.90 0.12 0.00 -0.11 0.00 0.00 54.58 51.70 1orr n ASN 92 Cb 0.61 -0.25 0.60 0.00 1.24 0.00 0.00 39.78 41.99 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 3.65 0.14 -0.05 1.20 0.13 -1.49 -1.94 132.00 133.63 1orr h PRO 93 Ca 0.05 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 1orr h PRO 93 Cb 0.93 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 1orr h PRO 93 CO 0.44 0.09 0.01 0.00 -0.23 0.00 0.00 178.00 178.31 1orr h MET 95 N -0.18 1.14 -0.82 0.00 1.85 -1.83 -0.18 114.93 114.92 1orr h MET 95 Ca 0.01 -0.17 0.02 0.00 -0.61 0.00 0.00 59.70 58.95 1orr h MET 95 Cb 0.28 -0.20 -0.04 0.00 0.43 0.00 0.00 31.60 32.06 1orr h MET 95 CO 0.00 0.89 0.54 0.22 -0.40 0.00 0.00 176.91 178.16 1orr h ASP 96 N 1.12 0.92 -0.15 1.39 1.82 -1.11 -0.79 116.42 119.62 1orr h ASP 96 Ca 0.27 -0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.87 1orr h ASP 96 Cb 0.12 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 39.90 1orr h ASP 96 CO -0.03 0.66 0.02 0.15 -1.61 0.00 0.00 179.24 178.42 1orr h PHE 97 N 1.09 0.27 -0.98 0.28 3.57 -0.56 -1.33 116.94 119.27 1orr h PHE 97 Ca 0.31 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.80 1orr h PHE 97 Cb -0.09 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.53 1orr h PHE 97 CO -0.02 0.44 0.64 0.93 -2.23 0.00 0.00 178.31 178.07 1orr h GLU 98 N 0.03 1.22 0.13 1.11 5.08 -0.68 0.12 114.58 121.60 1orr h GLU 98 Ca 0.05 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1orr h GLU 98 Cb 0.31 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1orr h GLU 98 CO 0.00 0.81 -0.06 0.82 -1.00 0.00 0.00 179.01 179.58 1orr h ILE 99 N 1.26 0.74 -0.07 3.13 2.04 -1.12 -0.69 117.51 122.80 1orr h ILE 99 Ca 0.38 -1.23 -0.08 0.00 1.00 0.00 0.00 64.86 64.93 1orr h ILE 99 Cb -0.03 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1orr h ILE 99 CO -0.11 0.21 -0.27 0.78 0.00 0.00 0.00 178.15 178.76 1orr h ASN 100 N -0.94 0.36 0.00 1.72 2.35 -1.25 -2.09 115.58 115.74 1orr h ASN 100 Ca -0.02 -0.63 -0.02 0.00 -0.55 0.00 0.00 56.30 55.08 1orr h ASN 100 Cb 0.49 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 1orr h ASN 100 CO 0.03 0.93 -0.21 0.58 -1.65 0.00 0.00 177.43 177.11 1orr h VAL 101 N -0.19 0.52 -0.28 2.81 2.07 -0.98 -3.20 116.25 117.01 1orr h VAL 101 Ca -0.01 -1.44 0.05 0.00 0.82 0.00 0.00 66.70 66.11 1orr h VAL 101 Cb 0.91 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1orr h VAL 101 CO 0.06 0.18 0.01 1.23 0.02 0.00 0.00 177.57 179.06 1orr h GLY 102 N -1.00 0.27 1.00 2.17 0.00 -0.78 -0.81 103.07 103.92 1orr h GLY 102 Ca -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1orr h GLY 102 CO -0.02 -0.05 0.42 -1.33 0.00 0.00 0.00 176.54 175.56 1orr h GLY 103 N 0.09 1.01 1.00 4.60 0.00 -0.39 -0.34 103.07 109.04 1orr h GLY 103 Ca 0.13 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 1orr h GLY 103 CO -0.21 0.40 0.22 -0.84 0.00 0.00 0.00 176.54 176.12 1orr h THR 104 N 0.95 1.23 -0.30 4.70 2.02 -1.48 -1.52 112.91 118.51 1orr h THR 104 Ca 0.25 -0.75 -0.12 0.00 0.77 0.00 0.00 66.41 66.56 1orr h THR 104 Cb -0.03 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1orr h THR 104 CO -0.05 0.29 -0.30 -0.07 0.37 0.00 0.00 175.52 175.76 1orr h LEU 105 N 0.84 0.64 -0.92 2.58 -0.00 -0.89 0.12 115.31 117.68 1orr h LEU 105 Ca 0.20 -0.25 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1orr h LEU 105 Cb 0.23 -0.18 -0.05 0.00 -0.00 0.00 0.00 40.66 40.67 1orr h LEU 105 CO -0.01 0.91 0.59 0.78 -0.00 0.00 0.00 178.44 180.70 1orr h ASN 106 N 0.54 1.08 -0.11 -0.43 2.35 -0.72 0.31 115.58 118.60 1orr h ASN 106 Ca 0.07 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 1orr h ASN 106 Cb 0.78 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.88 1orr h ASN 106 CO 0.06 0.80 -0.10 0.25 -1.65 0.00 0.00 177.43 176.80 1orr h LEU 107 N 1.26 0.27 -0.72 1.61 5.85 -0.85 -2.56 115.31 120.17 1orr h LEU 107 Ca 0.33 -0.48 0.03 0.00 0.84 0.00 0.00 57.88 58.60 1orr h LEU 107 Cb -0.10 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 1orr h LEU 107 CO -0.07 0.69 0.46 -0.07 -0.34 0.00 0.00 178.44 179.11 1orr h LEU 108 N -0.14 0.76 -0.59 2.25 3.38 -0.45 -1.04 115.31 119.48 1orr h LEU 108 Ca 0.02 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1orr h LEU 108 Cb 0.61 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1orr h LEU 108 CO 0.03 0.53 -0.06 -0.33 0.09 0.00 0.00 178.44 178.70 1orr h GLU 109 N 0.90 1.05 -0.60 1.13 4.39 -0.99 0.87 114.58 121.33 1orr h GLU 109 Ca 0.28 -0.36 -0.07 0.00 0.34 0.00 0.00 59.36 59.55 1orr h GLU 109 Cb -0.01 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 1orr h GLU 109 CO -0.10 1.06 0.11 0.00 -1.16 0.00 0.00 179.01 178.93 1orr h ALA 110 N 0.97 0.80 -0.03 3.43 0.00 -1.13 -0.97 119.26 122.33 1orr h ALA 110 Ca 0.16 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1orr h ALA 110 Cb 0.63 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1orr h ALA 110 CO 0.04 0.53 0.01 0.28 0.00 0.00 0.00 179.25 180.11 1orr h VAL 111 N 0.89 1.19 -0.29 0.00 2.07 -1.02 0.80 116.25 119.89 1orr h VAL 111 Ca 0.18 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 67.16 1orr h VAL 111 Cb 0.40 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1orr h VAL 111 CO 0.01 0.15 0.10 -0.09 0.02 0.00 0.00 177.57 177.76 1orr h ARG 112 N -0.17 0.22 0.12 1.57 2.43 -0.73 0.24 114.38 118.06 1orr h ARG 112 Ca 0.01 -0.01 -0.27 0.00 -0.81 0.00 0.00 59.98 58.90 1orr h ARG 112 Cb 0.24 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1orr h ARG 112 CO 0.00 0.15 -1.22 1.96 -1.51 0.00 0.00 179.97 179.35 1orr h GLN 113 N 0.23 0.29 0.00 0.20 4.20 -1.14 -3.39 115.11 115.49 1orr h GLN 113 Ca 0.13 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 58.37 1orr h GLN 113 Cb 0.10 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1orr h GLN 113 CO -0.14 1.21 -0.22 0.66 -0.67 0.00 0.00 178.83 179.68 1orr n TYR 114 N -3.55 0.00 -2.71 2.96 4.02 0.27 -4.87 117.16 113.27 1orr n TYR 114 Ca -0.08 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.73 1orr n TYR 114 Cb 1.01 -0.00 0.11 0.00 -0.02 0.00 0.00 39.34 40.44 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 -1.11 -2.04 0.16 7.72 5.15 0.12 -4.96 115.26 120.30 1orr n ASN 115 Ca 0.01 -2.88 0.09 0.00 -0.60 0.00 0.00 54.58 51.20 1orr n ASN 115 Cb 0.07 1.32 0.46 0.00 -0.53 0.00 0.00 39.78 41.10 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 -0.28 0.44 -0.01 1.20 3.41 0.62 -1.71 113.62 117.29 1orr n SER 116 Ca 0.00 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 1orr n SER 116 Cb 0.80 -0.66 0.30 0.00 -0.26 0.00 0.00 64.21 64.40 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 -2.13 0.46 -4.66 4.04 3.02 -1.26 -4.50 115.26 110.22 1orr n ASN 117 Ca -0.01 -0.18 -0.47 0.00 -0.03 0.00 0.00 54.58 53.89 1orr n ASN 117 Cb 0.18 0.15 -0.04 0.00 -0.61 0.00 0.00 39.78 39.46 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 0.87 6.99 -0.10 0.00 0.01 -0.50 -4.22 114.94 117.98 1orr s ASN 119 Ca 0.80 1.22 0.04 0.00 -0.71 0.00 0.00 52.86 54.21 1orr s ASN 119 Cb -0.72 -2.47 -0.00 0.00 0.41 0.00 0.00 41.25 38.47 1orr s ASN 119 CO 0.39 -0.46 -0.24 -0.63 -1.51 0.00 0.00 177.10 174.65 1orr s ILE 120 N 2.38 2.06 -0.18 0.60 1.01 -0.00 0.09 121.20 127.16 1orr s ILE 120 Ca 0.40 -1.02 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 1orr s ILE 120 Cb -0.16 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 1orr s ILE 120 CO 0.11 0.56 -0.05 -0.63 0.00 0.00 0.00 174.94 174.93 1orr s ILE 121 N 0.32 3.59 -0.13 2.92 1.01 -0.23 -0.75 121.20 127.93 1orr s ILE 121 Ca -0.18 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 1orr s ILE 121 Cb -0.18 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 1orr s ILE 121 CO 0.09 0.47 -0.09 -0.47 0.00 0.00 0.00 174.94 174.94 1orr s TYR 122 N 0.79 2.90 -0.66 3.97 5.04 0.56 -1.26 117.35 128.68 1orr s TYR 122 Ca -0.02 -0.41 -0.21 0.00 -2.44 0.00 0.00 57.07 53.99 1orr s TYR 122 Cb -0.15 -1.86 0.08 0.00 0.35 0.00 0.00 41.96 40.39 1orr s TYR 122 CO 0.02 -0.06 0.91 -1.54 -1.34 0.00 0.00 175.55 173.54 1orr s SER 123 N 0.15 6.20 0.11 4.32 1.04 -1.23 -0.96 113.70 123.33 1orr s SER 123 Ca -0.04 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.22 1orr s SER 123 Cb -0.14 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1orr s SER 123 CO 0.04 -1.34 0.00 -0.24 0.98 0.00 0.00 173.24 172.68 1orr n SER 124 N 7.30 0.00 -3.94 7.02 2.88 0.26 -4.95 113.62 122.19 1orr n SER 124 Ca -0.04 -0.32 -0.09 0.00 -1.33 0.00 0.00 58.87 57.10 1orr n SER 124 Cb 0.45 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.82 1orr n SER 124 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1orr s THR 125 N 0.97 0.15 -0.73 2.46 2.01 -1.26 -2.51 115.64 116.73 1orr s THR 125 Ca 0.00 -1.21 0.16 0.00 0.31 0.00 0.00 61.69 60.95 1orr s THR 125 Cb 0.00 -1.06 0.16 0.00 0.01 0.00 0.00 72.50 71.60 1orr s THR 125 CO 0.00 -0.67 1.50 -0.46 -0.69 0.00 0.00 174.62 174.31 1orr n ASN 126 N 0.52 0.29 0.00 3.53 0.23 -0.46 -2.53 115.26 116.84 1orr n ASN 126 Ca -0.18 0.59 0.08 0.00 -0.53 0.00 0.00 54.58 54.54 1orr n ASN 126 Cb 0.60 -0.64 0.37 0.00 -2.08 0.00 0.00 39.78 38.02 1orr n ASN 126 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1orr n LYS 127 N -1.84 0.11 0.04 -3.83 4.76 -1.26 -2.07 118.16 114.07 1orr n LYS 127 Ca 0.02 0.18 0.10 0.00 -2.87 0.00 0.00 58.31 55.74 1orr n LYS 127 Cb 0.15 -1.50 0.41 0.00 -1.84 0.00 0.00 35.03 32.25 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 -1.40 0.74 1.33 -0.18 0.24 -1.05 -2.47 118.33 115.55 1orr n VAL 128 Ca 0.06 0.16 0.13 0.00 -2.04 0.00 0.00 64.34 62.65 1orr n VAL 128 Cb 0.16 -0.91 0.46 0.00 -1.47 0.00 0.00 33.84 32.08 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 -1.71 0.00 -4.09 6.34 4.02 -0.88 -0.95 117.16 119.89 1orr n TYR 129 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 1orr n TYR 129 Cb 0.23 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 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 -0.45 0.07 2.72 0.00 -0.35 -4.08 105.19 104.39 1orr n GLY 130 Ca 0.14 -1.11 0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 0.50 0.65 -2.12 1.61 5.68 -1.26 -4.68 116.55 116.93 1orr n ASP 131 Ca 0.00 0.30 -0.20 0.00 -0.50 0.00 0.00 54.79 54.39 1orr n ASP 131 Cb 0.00 -0.26 -0.03 0.00 -1.14 0.00 0.00 41.12 39.69 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 -2.05 -1.81 0.00 -2.12 4.77 -1.26 -4.43 117.00 110.10 1orr n LEU 132 Ca 0.05 0.12 0.10 0.00 -0.03 0.00 0.00 56.01 56.25 1orr n LEU 132 Cb 0.42 -2.86 0.62 0.00 -2.33 0.00 0.00 43.42 39.26 1orr n LEU 132 CO 0.33 -0.44 0.87 -0.62 -1.33 0.00 0.00 177.39 176.21 1orr n GLU 133 N -2.81 0.93 0.03 3.23 -0.58 -1.26 -2.98 120.64 117.20 1orr n GLU 133 Ca -0.23 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.63 1orr n GLU 133 Cb 0.68 -1.35 0.50 0.00 -0.57 0.00 0.00 31.44 30.70 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 -0.85 0.06 -3.38 3.49 0.00 -1.26 -4.83 117.38 110.61 1orr n GLN 134 Ca 0.16 0.13 -0.20 0.00 0.00 0.00 0.00 57.00 57.09 1orr n GLN 134 Cb 0.07 -1.58 -0.01 0.00 0.00 0.00 0.00 30.24 28.72 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 -3.04 2.57 0.01 2.61 1.51 -1.16 -5.12 117.35 114.73 1orr s TYR 135 Ca 0.11 -0.51 0.01 0.00 -1.01 0.00 0.00 57.07 55.67 1orr s TYR 135 Cb 0.15 -2.22 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 1orr s TYR 135 CO 0.46 -0.31 0.06 -1.59 -1.11 0.00 0.00 175.55 173.06 1orr s LYS 136 N -4.24 2.95 0.19 -0.62 -2.85 -1.26 -5.03 119.74 108.87 1orr s LYS 136 Ca 0.50 -0.56 0.07 0.00 -1.00 0.00 0.00 55.97 54.99 1orr s LYS 136 Cb -0.05 -2.78 -0.05 0.00 -2.06 0.00 0.00 37.83 32.89 1orr s LYS 136 CO 0.30 0.63 -0.14 0.71 0.10 0.00 0.00 175.35 176.95 1orr s TYR 137 N -1.19 1.61 0.09 1.78 1.51 -1.26 0.14 117.35 120.03 1orr s TYR 137 Ca 0.23 -0.61 0.06 0.00 -1.01 0.00 0.00 57.07 55.74 1orr s TYR 137 Cb -0.12 -0.76 -0.03 0.00 -0.11 0.00 0.00 41.96 40.93 1orr s TYR 137 CO 0.14 0.29 -0.16 -0.80 -1.11 0.00 0.00 175.55 173.91 1orr s ASN 138 N -3.22 1.98 -0.12 2.29 0.01 0.59 -4.88 114.94 111.58 1orr s ASN 138 Ca 0.20 -0.67 0.03 0.00 -0.71 0.00 0.00 52.86 51.71 1orr s ASN 138 Cb -0.00 -0.08 0.00 0.00 0.41 0.00 0.00 41.25 41.58 1orr s ASN 138 CO 0.05 -0.05 -0.22 -0.70 -1.51 0.00 0.00 177.10 174.68 1orr s GLU 139 N -1.95 3.07 0.00 -0.60 2.12 -1.26 0.88 118.70 120.96 1orr s GLU 139 Ca 0.02 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.50 1orr s GLU 139 Cb -0.09 -2.40 0.00 0.00 0.26 0.00 0.00 34.13 31.90 1orr s GLU 139 CO 0.03 0.09 0.00 0.25 -0.54 0.00 0.00 175.26 175.09 1orr n THR 140 N 3.80 0.00 -0.20 -1.70 -2.24 0.10 -5.00 114.28 109.04 1orr n THR 140 Ca -0.19 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.49 1orr n THR 140 Cb 0.52 -0.58 0.02 0.00 -2.10 0.00 0.00 70.33 68.19 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 1.01 -0.00 -0.78 4.39 -2.02 -3.33 114.58 113.84 1orr h GLU 141 Ca 0.00 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.38 1orr h GLU 141 Cb 0.00 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1orr h GLU 141 CO 0.00 1.00 -0.57 0.25 -1.16 0.00 0.00 179.01 178.53 1orr n THR 142 N -4.24 0.00 -3.85 1.13 -2.24 -1.26 -5.02 114.28 98.80 1orr n THR 142 Ca 0.02 -0.21 -0.04 0.00 -2.27 0.00 0.00 64.05 61.55 1orr n THR 142 Cb 0.33 1.00 0.01 0.00 -2.10 0.00 0.00 70.33 69.58 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 -2.15 1.45 0.18 -0.78 1.70 -1.25 -4.44 118.95 113.66 1orr s ARG 143 Ca 0.05 -0.92 0.04 0.00 -0.47 0.00 0.00 55.73 54.43 1orr s ARG 143 Cb 0.09 0.42 -0.03 0.00 -0.57 0.00 0.00 34.95 34.85 1orr s ARG 143 CO 0.50 -0.68 0.26 0.71 -1.08 0.00 0.00 175.30 175.02 1orr s TYR 144 N -2.35 3.38 -0.01 5.89 1.51 -0.60 0.00 117.35 125.18 1orr s TYR 144 Ca 0.20 0.05 0.00 0.00 -1.01 0.00 0.00 57.07 56.30 1orr s TYR 144 Cb -0.03 -1.60 0.01 0.00 -0.11 0.00 0.00 41.96 40.23 1orr s TYR 144 CO 0.06 0.50 0.01 0.99 -1.11 0.00 0.00 175.55 176.00 1orr s THR 145 N -1.82 0.01 -0.40 -0.71 2.01 0.25 -4.77 115.64 110.22 1orr s THR 145 Ca 0.34 0.06 -0.23 0.00 0.31 0.00 0.00 61.69 62.16 1orr s THR 145 Cb -0.10 -0.06 0.01 0.00 0.01 0.00 0.00 72.50 72.37 1orr s THR 145 CO 0.27 0.04 0.76 0.00 -0.69 0.00 0.00 174.62 175.00 1orr h VAL 147 N 5.83 1.23 -0.09 0.00 2.07 -0.65 -3.12 116.25 121.53 1orr h VAL 147 Ca -0.25 -0.91 -0.18 0.00 0.82 0.00 0.00 66.70 66.19 1orr h VAL 147 Cb 1.09 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1orr h VAL 147 CO 0.92 0.33 -0.69 0.44 0.02 0.00 0.00 177.57 178.59 1orr h ASP 148 N 0.77 0.49 -2.21 0.57 3.45 -1.92 -3.37 116.42 114.19 1orr h ASP 148 Ca 0.16 -0.30 -0.60 0.00 0.43 0.00 0.00 57.03 56.72 1orr h ASP 148 Cb 0.37 -0.14 -0.42 0.00 -0.56 0.00 0.00 39.33 38.58 1orr h ASP 148 CO 0.01 1.03 -0.62 0.29 -1.57 0.00 0.00 179.24 178.38 1orr n LYS 149 N -3.86 2.70 -0.32 3.56 4.76 -1.18 -4.94 118.16 118.88 1orr n LYS 149 Ca -0.04 -4.69 0.18 0.00 -2.87 0.00 0.00 58.31 50.89 1orr n LYS 149 Cb 0.68 -2.23 0.38 0.00 -1.84 0.00 0.00 35.03 32.03 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 3.80 0.37 -0.65 1.97 0.13 -1.74 -2.11 132.00 133.77 1orr h PRO 150 Ca 0.18 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1orr h PRO 150 Cb 0.62 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1orr h PRO 150 CO 0.82 0.25 0.00 0.09 -0.23 0.00 0.00 178.00 178.93 1orr n ASN 151 N -5.04 4.04 0.00 1.44 3.02 -1.26 -4.97 115.26 112.49 1orr n ASN 151 Ca 0.27 -2.14 0.00 0.00 -0.03 0.00 0.00 54.58 52.68 1orr n ASN 151 Cb 0.80 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 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 1.32 0.98 3.72 7.41 0.00 -0.80 -3.93 105.19 113.89 1orr n GLY 152 Ca 0.23 -2.18 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.26 3.23 0.47 1.61 1.51 0.14 -4.55 117.35 118.50 1orr s TYR 153 Ca 0.00 0.23 0.07 0.00 -1.01 0.00 0.00 57.07 56.36 1orr s TYR 153 Cb 0.00 -1.79 0.07 0.00 -0.11 0.00 0.00 41.96 40.12 1orr s TYR 153 CO 0.00 0.52 0.55 -0.40 -1.11 0.00 0.00 175.55 175.10 1orr n ASP 154 N 1.94 2.01 0.06 2.29 5.68 -1.26 -1.10 116.55 126.18 1orr n ASP 154 Ca -0.18 -2.38 0.08 0.00 -0.50 0.00 0.00 54.79 51.81 1orr n ASP 154 Cb 0.54 -0.24 0.36 0.00 -1.14 0.00 0.00 41.12 40.64 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 -1.87 0.08 0.00 0.11 4.71 -1.26 -1.92 120.64 120.48 1orr n GLU 155 Ca 0.08 0.40 0.15 0.00 -0.01 0.00 0.00 57.16 57.78 1orr n GLU 155 Cb 0.50 -1.68 0.77 0.00 -1.01 0.00 0.00 31.44 30.02 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 -1.84 0.39 -4.77 1.62 3.41 -1.26 -4.86 113.62 106.31 1orr n SER 156 Ca 0.02 -0.89 -0.41 0.00 -0.26 0.00 0.00 58.87 57.33 1orr n SER 156 Cb 0.15 -0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.03 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 -2.18 2.32 0.30 6.66 2.01 -0.81 -4.91 115.64 119.04 1orr s THR 157 Ca 0.39 0.31 -0.30 0.00 0.31 0.00 0.00 61.69 62.40 1orr s THR 157 Cb 0.21 -3.19 -0.12 0.00 0.01 0.00 0.00 72.50 69.41 1orr s THR 157 CO 0.40 0.07 1.48 1.67 -0.69 0.00 0.00 174.62 177.55 1orr n GLN 158 N 1.06 2.45 -2.80 4.92 -0.06 -1.26 -4.96 117.38 116.73 1orr n GLN 158 Ca 0.03 0.87 -0.40 0.00 -2.00 0.00 0.00 57.00 55.49 1orr n GLN 158 Cb 0.40 -2.58 -0.06 0.00 -4.06 0.00 0.00 30.24 23.94 1orr n GLN 158 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1orr s LEU 159 N -0.70 4.64 -0.32 1.69 1.43 -1.26 -4.61 118.68 119.54 1orr s LEU 159 Ca 0.62 1.88 -0.03 0.00 -1.03 0.00 0.00 54.13 55.57 1orr s LEU 159 Cb -0.54 -3.54 0.19 0.00 0.03 0.00 0.00 46.19 42.33 1orr s LEU 159 CO 0.54 0.17 0.86 -0.62 0.23 0.00 0.00 176.35 177.53 1orr s ASP 160 N -1.17 -0.90 -0.16 2.29 2.15 -0.12 -4.99 116.67 113.77 1orr s ASP 160 Ca 0.40 -0.13 -0.29 0.00 0.43 0.00 0.00 52.55 52.96 1orr s ASP 160 Cb -0.25 1.38 -0.01 0.00 -0.30 0.00 0.00 42.92 43.73 1orr s ASP 160 CO 0.31 -0.14 1.21 -0.36 -0.17 0.00 0.00 175.17 176.02 1orr s PHE 161 N 2.48 2.99 -0.06 -5.34 2.99 -1.25 -1.21 117.98 118.58 1orr s PHE 161 Ca 0.18 1.13 0.05 0.00 0.00 0.00 0.00 56.93 58.29 1orr s PHE 161 Cb -0.03 -3.44 -0.01 0.00 0.00 0.00 0.00 43.02 39.53 1orr s PHE 161 CO -0.19 -1.39 -0.22 -1.01 -0.00 0.00 0.00 175.22 172.41 1orr s HIS 162 N 3.26 2.52 0.00 0.36 3.76 -1.25 -4.61 115.29 119.33 1orr s HIS 162 Ca 0.53 -0.62 0.00 0.00 -0.15 0.00 0.00 55.06 54.81 1orr s HIS 162 Cb -0.21 -1.63 0.00 0.00 1.11 0.00 0.00 32.58 31.85 1orr s HIS 162 CO 0.14 -0.15 0.00 -1.13 -0.85 0.00 0.00 174.74 172.75 1orr n SER 163 N 2.91 0.00 -0.10 1.40 3.41 -1.26 -3.00 113.62 116.98 1orr n SER 163 Ca -0.17 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.47 1orr n SER 163 Cb 0.52 0.53 0.36 0.00 -0.26 0.00 0.00 64.21 65.36 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 0.70 -0.68 4.33 0.11 -1.90 -0.28 132.00 134.28 1orr h PRO 164 Ca 0.00 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 1orr h PRO 164 Cb 0.00 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 30.92 1orr h PRO 164 CO 0.00 0.46 0.34 -0.92 -0.21 0.00 0.00 178.00 177.68 1orr h TYR 165 N 0.72 0.96 -0.63 0.65 3.20 -1.86 0.18 116.97 120.19 1orr h TYR 165 Ca 0.23 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1orr h TYR 165 Cb 0.02 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 37.96 1orr h TYR 165 CO -0.00 0.70 0.22 0.78 -1.64 0.00 0.00 178.16 178.22 1orr h GLY 166 N 0.93 1.04 1.42 1.82 0.00 -1.01 -1.11 103.07 106.16 1orr h GLY 166 Ca 0.23 -0.60 -0.14 0.00 0.00 0.00 0.00 47.33 46.83 1orr h GLY 166 CO -0.03 0.56 -0.39 0.00 0.00 0.00 0.00 176.54 176.68 1orr h SER 168 N 0.53 0.72 -0.34 0.00 4.64 -0.85 -1.26 113.55 116.99 1orr h SER 168 Ca 0.05 -0.68 -0.13 0.00 -0.47 0.00 0.00 61.79 60.55 1orr h SER 168 Cb 0.90 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 1orr h SER 168 CO 0.08 1.30 -0.26 0.11 -0.87 0.00 0.00 176.83 177.19 1orr h LYS 169 N 0.20 0.85 -0.58 4.77 1.79 -1.23 -2.23 116.57 120.13 1orr h LYS 169 Ca -0.07 -0.37 -0.03 0.00 -2.18 0.00 0.00 60.65 58.01 1orr h LYS 169 Cb 1.34 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.94 1orr h LYS 169 CO 0.14 1.01 0.25 0.78 -1.08 0.00 0.00 179.45 180.55 1orr h GLY 170 N 0.92 0.92 0.94 3.86 0.00 -0.91 0.15 103.07 108.95 1orr h GLY 170 Ca 0.09 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1orr h GLY 170 CO 0.07 0.46 0.15 0.00 0.00 0.00 0.00 176.54 177.21 1orr h ALA 171 N 1.09 0.54 -0.96 3.60 0.00 -1.12 -1.43 119.26 120.98 1orr h ALA 171 Ca 0.20 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1orr h ALA 171 Cb 0.17 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1orr h ALA 171 CO -0.02 0.15 0.63 0.00 0.00 0.00 0.00 179.25 180.01 1orr h ALA 172 N 1.00 1.23 0.45 0.00 0.00 -1.18 -1.16 119.26 119.60 1orr h ALA 172 Ca 0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1orr h ALA 172 Cb 0.22 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1orr h ALA 172 CO -0.01 0.57 -0.31 0.22 0.00 0.00 0.00 179.25 179.72 1orr h ASP 173 N 1.27 -0.80 -0.80 0.00 1.82 -0.54 0.19 116.42 117.55 1orr h ASP 173 Ca 0.36 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 57.04 1orr h ASP 173 Cb -0.10 0.25 -0.04 0.00 0.68 0.00 0.00 39.33 40.12 1orr h ASP 173 CO -0.09 -0.48 0.45 1.56 -1.61 0.00 0.00 179.24 179.07 1orr h GLN 174 N -0.74 1.12 -0.49 0.28 1.08 -1.13 -1.81 115.11 113.41 1orr h GLN 174 Ca -0.05 -0.12 -0.07 0.00 -1.45 0.00 0.00 58.65 56.96 1orr h GLN 174 Cb 0.63 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 1orr h GLN 174 CO 0.02 0.81 0.00 1.88 -0.95 0.00 0.00 178.83 180.60 1orr h TYR 175 N 1.13 0.86 -0.56 2.96 -1.99 -0.98 0.58 116.97 118.97 1orr h TYR 175 Ca 0.29 -0.12 -0.02 0.00 2.00 0.00 0.00 58.73 60.88 1orr h TYR 175 Cb 0.01 -0.24 -0.03 0.00 2.00 0.00 0.00 36.73 38.48 1orr h TYR 175 CO 0.01 0.79 0.28 0.52 -0.00 0.00 0.00 178.16 179.76 1orr h MET 176 N 0.76 0.80 -0.44 4.88 2.86 -0.26 -0.82 114.93 122.71 1orr h MET 176 Ca 0.15 -0.11 -0.12 0.00 -2.06 0.00 0.00 59.70 57.56 1orr h MET 176 Cb 0.45 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1orr h MET 176 CO 0.02 0.64 -0.20 -0.07 1.06 0.00 0.00 176.91 178.37 1orr h LEU 177 N 0.75 0.88 -0.63 1.22 3.38 -0.97 -3.03 115.31 116.91 1orr h LEU 177 Ca 0.19 -0.31 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 1orr h LEU 177 Cb 0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1orr h LEU 177 CO -0.03 1.05 -0.54 -0.78 0.09 0.00 0.00 178.44 178.24 1orr h ASP 178 N 0.76 0.45 0.17 -0.43 3.58 -0.66 -2.81 116.42 117.48 1orr h ASP 178 Ca 0.11 -0.24 -0.03 0.00 0.42 0.00 0.00 57.03 57.28 1orr h ASP 178 Cb 0.73 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.65 1orr h ASP 178 CO 0.06 0.91 -0.17 1.88 -2.88 0.00 0.00 179.24 179.04 1orr h TYR 179 N 0.32 0.00 -0.20 0.28 -1.99 -1.10 0.87 116.97 115.14 1orr h TYR 179 Ca 0.01 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.68 1orr h TYR 179 Cb 1.05 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.77 1orr h TYR 179 CO 0.03 0.17 -0.08 0.00 -0.00 0.00 0.00 178.16 178.28 1orr h ALA 180 N 1.83 0.28 0.09 3.88 0.00 -1.38 -1.12 119.26 122.83 1orr h ALA 180 Ca -0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1orr h ALA 180 Cb 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1orr h ALA 180 CO 0.02 0.09 -0.04 0.00 0.00 0.00 0.00 179.25 179.32 1orr h ARG 181 N 0.11 -0.11 0.18 0.00 3.08 -1.24 -0.93 114.38 115.47 1orr h ARG 181 Ca 0.05 0.01 -0.24 0.00 0.07 0.00 0.00 59.98 59.86 1orr h ARG 181 Cb 0.56 0.03 0.03 0.00 0.08 0.00 0.00 29.97 30.66 1orr h ARG 181 CO 0.03 0.17 -1.06 0.82 -1.07 0.00 0.00 179.97 178.86 1orr h ILE 182 N -0.40 1.43 -0.10 2.04 1.08 -0.97 -3.38 117.51 117.22 1orr h ILE 182 Ca -0.01 -2.59 0.00 0.00 -0.39 0.00 0.00 64.86 61.86 1orr h ILE 182 Cb 0.34 3.14 0.00 0.00 -3.07 0.00 0.00 36.82 37.23 1orr h ILE 182 CO 0.02 0.75 0.00 0.49 -0.69 0.00 0.00 178.15 178.72 1orr n PHE 183 N -3.98 0.11 -1.14 1.37 3.01 -0.49 -4.98 117.46 111.36 1orr n PHE 183 Ca -0.15 -0.09 -0.05 0.00 1.01 0.00 0.00 57.45 58.17 1orr n PHE 183 Cb 0.93 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.37 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 0.79 0.75 3.78 1.37 0.00 -0.35 -4.95 105.19 106.58 1orr n GLY 184 Ca 0.09 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.12 3.72 -1.23 0.99 1.43 -0.81 -4.92 118.68 116.75 1orr s LEU 185 Ca 0.00 2.14 -0.10 0.00 -1.03 0.00 0.00 54.13 55.14 1orr s LEU 185 Cb 0.00 -4.58 0.19 0.00 0.03 0.00 0.00 46.19 41.83 1orr s LEU 185 CO 0.00 -1.22 1.64 0.59 0.23 0.00 0.00 176.35 177.59 1orr n ASN 186 N -1.39 5.30 -4.82 2.29 3.02 -1.26 -4.13 115.26 114.27 1orr n ASN 186 Ca 0.11 -3.10 -0.26 0.00 -0.03 0.00 0.00 54.58 51.31 1orr n ASN 186 Cb 0.51 -1.48 -0.05 0.00 -0.61 0.00 0.00 39.78 38.15 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 0.33 4.61 -0.01 3.41 -4.23 -1.26 -0.82 115.64 117.67 1orr s THR 187 Ca 0.39 -1.03 -0.00 0.00 -1.18 0.00 0.00 61.69 59.87 1orr s THR 187 Cb 0.04 -3.36 0.02 0.00 1.34 0.00 0.00 72.50 70.53 1orr s THR 187 CO 0.01 -0.11 0.02 -0.69 -0.54 0.00 0.00 174.62 173.31 1orr s VAL 188 N -1.76 -0.03 -0.10 2.29 1.01 0.07 0.46 120.40 122.34 1orr s VAL 188 Ca 0.32 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.44 1orr s VAL 188 Cb -0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 36.38 36.21 1orr s VAL 188 CO 0.24 0.05 -0.20 -0.69 0.00 0.00 0.00 175.10 174.50 1orr s VAL 189 N 0.59 2.40 -0.24 2.92 1.01 -0.61 -0.33 120.40 126.15 1orr s VAL 189 Ca -0.05 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 60.97 1orr s VAL 189 Cb -0.07 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 1orr s VAL 189 CO -0.02 0.55 -0.00 -0.36 0.00 0.00 0.00 175.10 175.28 1orr s PHE 190 N 0.20 3.02 -0.81 5.22 2.99 -0.14 -0.86 117.98 127.61 1orr s PHE 190 Ca -0.12 -0.86 -0.19 0.00 0.00 0.00 0.00 56.93 55.76 1orr s PHE 190 Cb -0.16 -2.15 0.13 0.00 0.00 0.00 0.00 43.02 40.83 1orr s PHE 190 CO 0.07 -0.52 0.97 1.03 -0.00 0.00 0.00 175.22 176.77 1orr s ARG 191 N 1.50 3.41 0.16 0.44 0.52 0.83 0.91 118.95 126.72 1orr s ARG 191 Ca 0.05 -1.61 -0.26 0.00 -0.52 0.00 0.00 55.73 53.40 1orr s ARG 191 Cb -0.15 -4.62 -0.08 0.00 0.52 0.00 0.00 34.95 30.63 1orr s ARG 191 CO -0.01 -1.68 0.79 -1.01 0.02 0.00 0.00 175.30 173.41 1orr s HIS 192 N 2.60 3.90 0.69 -0.53 3.76 -1.04 -1.55 115.29 123.11 1orr s HIS 192 Ca 0.25 1.64 0.02 0.00 -0.15 0.00 0.00 55.06 56.82 1orr s HIS 192 Cb -0.11 -2.79 0.12 0.00 1.11 0.00 0.00 32.58 30.92 1orr s HIS 192 CO -0.03 0.49 0.96 0.45 -0.85 0.00 0.00 174.74 175.76 1orr s SER 193 N -1.05 4.48 0.31 1.40 0.15 -0.54 -1.36 113.70 117.09 1orr s SER 193 Ca 0.36 -0.54 -0.28 0.00 0.70 0.00 0.00 55.95 56.20 1orr s SER 193 Cb -0.23 0.15 -0.13 0.00 -1.71 0.00 0.00 66.02 64.10 1orr s SER 193 CO 0.26 -1.78 1.07 -1.20 1.20 0.00 0.00 173.24 172.79 1orr n SER 194 N -2.71 1.62 -4.27 5.45 7.64 -1.24 -4.89 113.62 115.22 1orr n SER 194 Ca 0.16 1.18 -0.20 0.00 1.01 0.00 0.00 58.87 61.02 1orr n SER 194 Cb 0.61 -1.33 -0.11 0.00 -1.01 0.00 0.00 64.21 62.36 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 -1.65 1.09 0.12 1.43 -1.94 -1.26 -1.76 119.30 115.33 1orr s MET 195 Ca 0.58 -1.26 -0.22 0.00 -1.71 0.00 0.00 55.69 53.08 1orr s MET 195 Cb -0.66 -1.07 0.06 0.00 2.01 0.00 0.00 34.83 35.16 1orr s MET 195 CO 0.60 0.22 0.56 1.52 -0.01 0.00 0.00 175.02 177.92 1orr s TYR 196 N -1.94 -0.48 -5.00 -0.03 -0.85 -0.73 -4.86 117.35 103.46 1orr s TYR 196 Ca 0.10 0.34 0.00 0.00 -0.52 0.00 0.00 57.07 56.99 1orr s TYR 196 Cb -0.06 0.47 0.00 0.00 0.38 0.00 0.00 41.96 42.75 1orr s TYR 196 CO 0.04 -0.78 0.00 0.41 -1.52 0.00 0.00 175.55 173.70 1orr n GLY 197 N -0.16 -1.75 3.71 5.49 0.00 -1.26 -0.64 105.19 110.57 1orr n GLY 197 Ca -0.17 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.77 107.32 105.31 1orr s GLY 198 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 44.72 45.43 1orr s GLY 198 CO 0.00 1.12 0.00 0.54 0.00 0.00 0.00 173.10 174.76 1orr n ARG 199 N -3.33 -0.06 -3.32 2.90 5.12 -1.26 -4.89 116.66 111.83 1orr n ARG 199 Ca 0.12 0.01 -0.39 0.00 -1.93 0.00 0.00 57.85 55.67 1orr n ARG 199 Cb 0.51 -2.84 -0.08 0.00 -1.16 0.00 0.00 32.46 28.89 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 -0.11 4.10 -0.91 5.56 0.74 -1.12 -4.18 119.66 123.74 1orr s GLN 200 Ca 0.00 0.23 -0.01 0.00 0.05 0.00 0.00 55.36 55.63 1orr s GLN 200 Cb 0.00 -3.61 0.25 0.00 1.10 0.00 0.00 33.01 30.75 1orr s GLN 200 CO 0.00 -0.21 0.93 1.19 -0.55 0.00 0.00 175.29 176.65 1orr n PHE 201 N 5.07 3.85 -1.43 1.67 3.01 -1.26 -5.01 117.46 123.36 1orr n PHE 201 Ca -0.06 -3.84 -0.36 0.00 1.01 0.00 0.00 57.45 54.20 1orr n PHE 201 Cb 0.50 -1.11 0.08 0.00 -0.01 0.00 0.00 39.48 38.95 1orr n PHE 201 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1orr n ALA 202 N 1.90 0.08 -2.38 4.37 0.00 -1.26 -4.95 120.51 118.27 1orr n ALA 202 Ca 0.24 -0.14 -0.20 0.00 0.00 0.00 0.00 53.44 53.33 1orr n ALA 202 Cb 0.37 -2.17 -0.09 0.00 0.00 0.00 0.00 19.45 17.56 1orr n ALA 202 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1orr s THR 203 N -1.73 0.49 0.43 0.00 -4.23 0.00 -4.85 115.64 105.75 1orr s THR 203 Ca 0.75 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.36 1orr s THR 203 Cb -0.35 -2.52 0.23 0.00 1.34 0.00 0.00 72.50 71.20 1orr s THR 203 CO 0.48 0.00 2.03 0.22 -0.54 0.00 0.00 174.62 176.81 1orr h TYR 204 N 2.13 0.32 0.00 3.99 3.20 -1.96 -2.89 116.97 121.76 1orr h TYR 204 Ca -0.35 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.51 1orr h TYR 204 Cb 1.25 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.42 1orr h TYR 204 CO 1.03 0.27 -0.95 -0.25 -1.64 0.00 0.00 178.16 176.62 1orr n ASP 205 N -4.43 0.64 -3.69 -2.11 8.00 -1.26 -4.93 116.55 108.77 1orr n ASP 205 Ca 0.01 -0.07 -0.10 0.00 0.71 0.00 0.00 54.79 55.34 1orr n ASP 205 Cb 0.13 0.64 -0.10 0.00 -0.02 0.00 0.00 41.12 41.77 1orr n ASP 205 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1orr s GLN 206 N -3.21 0.44 0.00 -1.24 -0.44 -1.09 -4.42 119.66 109.70 1orr s GLN 206 Ca 0.04 0.86 0.00 0.00 -2.50 0.00 0.00 55.36 53.75 1orr s GLN 206 Cb 0.14 0.00 0.00 0.00 -1.64 0.00 0.00 33.01 31.51 1orr s GLN 206 CO 0.78 -0.16 0.00 0.41 0.50 0.00 0.00 175.29 176.83 1orr n GLY 207 N 4.27 0.77 0.26 2.59 0.00 -1.26 -0.82 105.19 111.00 1orr n GLY 207 Ca -0.23 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.12 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 0.61 -0.32 1.61 5.08 -1.90 0.68 115.95 121.71 1orr h TRP 208 Ca 0.00 0.03 -0.03 0.00 1.08 0.00 0.00 58.89 59.97 1orr h TRP 208 Cb 0.19 -0.17 -0.01 0.00 -3.00 0.00 0.00 29.16 26.17 1orr h TRP 208 CO 0.00 0.22 0.10 0.28 -1.28 0.00 0.00 178.44 177.76 1orr h VAL 209 N 0.58 1.21 -0.17 0.12 2.07 -1.95 -1.91 116.25 116.20 1orr h VAL 209 Ca 0.34 -0.67 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 1orr h VAL 209 Cb 0.37 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1orr h VAL 209 CO -0.27 0.23 -0.32 1.23 0.02 0.00 0.00 177.57 178.45 1orr h GLY 210 N 0.36 0.37 0.92 2.17 0.00 -1.84 -2.38 103.07 102.68 1orr h GLY 210 Ca 0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1orr h GLY 210 CO -0.00 0.29 0.12 -0.25 0.00 0.00 0.00 176.54 176.70 1orr h TRP 211 N 0.30 0.37 0.00 5.60 2.91 -0.67 0.29 115.95 124.75 1orr h TRP 211 Ca 0.04 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.04 1orr h TRP 211 Cb 0.72 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.25 1orr h TRP 211 CO 0.02 0.36 0.00 0.74 -1.03 0.00 0.00 178.44 178.53 1orr h PHE 212 N 0.28 0.00 0.08 2.65 -1.00 -1.26 -0.72 116.94 116.96 1orr h PHE 212 Ca 0.09 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.59 1orr h PHE 212 Cb 0.14 0.00 0.03 0.00 3.61 0.00 0.00 35.95 39.72 1orr h PHE 212 CO -0.02 0.00 -1.11 0.00 -1.61 0.00 0.00 178.31 175.57 1orr h GLN 214 N 0.25 1.29 0.03 0.00 4.20 -0.24 0.23 115.11 120.87 1orr h GLN 214 Ca -0.16 -0.12 0.02 0.00 0.06 0.00 0.00 58.65 58.45 1orr h GLN 214 Cb 1.79 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 29.27 1orr h GLN 214 CO 0.22 0.90 -0.18 0.87 -0.67 0.00 0.00 178.83 179.97 1orr h LYS 215 N 1.31 -0.30 0.00 1.46 1.79 -0.98 0.50 116.57 120.35 1orr h LYS 215 Ca 0.34 0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.81 1orr h LYS 215 Cb -0.06 0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1orr h LYS 215 CO -0.06 -0.20 -0.08 0.00 -1.08 0.00 0.00 179.45 178.02 1orr h ALA 216 N 0.57 1.29 0.02 3.86 0.00 -0.38 -2.41 119.26 122.21 1orr h ALA 216 Ca 0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1orr h ALA 216 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1orr h ALA 216 CO -0.15 0.10 -0.01 0.28 0.00 0.00 0.00 179.25 179.47 1orr h VAL 217 N 0.00 1.45 -0.25 0.00 2.07 0.57 -2.91 116.25 117.18 1orr h VAL 217 Ca -0.00 -1.81 0.03 0.00 0.82 0.00 0.00 66.70 65.74 1orr h VAL 217 Cb 0.25 2.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 1orr h VAL 217 CO 0.01 0.44 0.05 -0.33 0.02 0.00 0.00 177.57 177.76 1orr h GLU 218 N -0.86 0.14 -0.82 1.57 5.08 -0.81 -1.51 114.58 117.37 1orr h GLU 218 Ca -0.00 -0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.55 1orr h GLU 218 Cb 0.75 -0.03 -0.14 0.00 0.50 0.00 0.00 28.75 29.83 1orr h GLU 218 CO 0.00 0.09 0.12 0.82 -1.00 0.00 0.00 179.01 179.05 1orr h ILE 219 N 0.15 0.33 -0.50 3.13 2.04 -1.54 0.60 117.51 121.71 1orr h ILE 219 Ca 0.11 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 65.97 1orr h ILE 219 Cb 0.11 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 1orr h ILE 219 CO -0.15 0.03 0.34 0.50 0.00 0.00 0.00 178.15 178.87 1orr h LYS 220 N 0.16 0.45 -0.30 2.37 1.63 -1.07 -1.50 116.57 118.31 1orr h LYS 220 Ca 0.48 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 60.23 1orr h LYS 220 Cb 0.92 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.43 1orr h LYS 220 CO -0.66 0.30 0.01 0.09 -3.45 0.00 0.00 179.45 175.73 1orr n ASN 221 N -4.47 3.86 -2.75 4.20 3.02 0.17 -5.01 115.26 114.27 1orr n ASN 221 Ca 0.07 -3.09 -0.02 0.00 -0.03 0.00 0.00 54.58 51.50 1orr n ASN 221 Cb 0.23 -0.57 -0.02 0.00 -0.61 0.00 0.00 39.78 38.82 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 -0.52 -3.96 0.00 7.41 0.00 0.12 -5.03 105.19 103.20 1orr n GLY 222 Ca 0.23 0.92 0.00 0.00 0.00 0.00 0.00 46.02 47.18 1orr n GLY 222 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1orr n ILE 223 N 1.31 0.00 -1.06 -0.61 5.41 -0.93 -4.92 119.36 118.56 1orr n ILE 223 Ca -0.17 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.23 1orr n ILE 223 Cb 0.31 0.76 -0.01 0.00 -0.71 0.00 0.00 39.64 39.99 1orr n ILE 223 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1orr n PRO 226 N 0.00 0.00 -4.57 0.38 -0.04 -1.24 -4.43 135.00 125.10 1orr n PRO 226 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 1orr n PRO 226 Cb 0.06 -0.80 -0.08 0.00 -0.04 0.00 0.00 33.50 32.64 1orr n PRO 226 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1orr s PHE 227 N -1.15 1.80 0.31 0.54 -0.12 -0.94 -4.89 117.98 113.54 1orr s PHE 227 Ca 0.49 -1.23 0.08 0.00 -0.05 0.00 0.00 56.93 56.22 1orr s PHE 227 Cb -0.59 -1.25 -0.04 0.00 -0.63 0.00 0.00 43.02 40.51 1orr s PHE 227 CO 0.48 -0.20 0.15 0.95 -0.05 0.00 0.00 175.22 176.56 1orr s THR 228 N -3.13 3.42 -0.01 -4.49 -4.23 -1.26 0.91 115.64 106.85 1orr s THR 228 Ca 0.20 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1orr s THR 228 Cb 0.02 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.81 1orr s THR 228 CO 0.12 -0.24 -0.01 0.27 -0.54 0.00 0.00 174.62 174.22 1orr s ILE 229 N -2.34 0.09 -0.33 2.99 -4.36 -0.74 -4.89 121.20 111.62 1orr s ILE 229 Ca 0.36 -0.01 -0.23 0.00 -0.26 0.00 0.00 60.65 60.51 1orr s ILE 229 Cb -0.05 -0.11 0.00 0.00 1.25 0.00 0.00 42.46 43.56 1orr s ILE 229 CO 0.23 0.05 0.79 -0.44 0.24 0.00 0.00 174.94 175.80 1orr s SER 230 N 0.18 6.62 0.00 4.36 0.01 -1.26 -0.61 113.70 123.00 1orr s SER 230 Ca -0.01 0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.80 1orr s SER 230 Cb -0.03 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1orr s SER 230 CO -0.01 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 173.60 1orr n GLY 231 N 4.32 -1.66 0.13 3.44 0.00 -0.36 -4.32 105.19 106.74 1orr n GLY 231 Ca 0.03 -1.49 0.15 0.00 0.00 0.00 0.00 46.02 44.72 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 0.13 0.42 0.00 1.61 0.23 -1.26 -4.61 115.26 111.78 1orr n ASN 232 Ca 0.00 -0.95 0.00 0.00 -0.53 0.00 0.00 54.58 53.10 1orr n ASN 232 Cb 0.00 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.66 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 1.12 1.68 0.22 4.83 0.00 -1.26 -4.89 105.19 106.88 1orr n GLY 233 Ca 0.20 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.00 0.95 -2.03 1.61 5.02 -1.26 -0.81 118.16 119.63 1orr n LYS 234 Ca 0.00 -0.43 -0.40 0.00 -2.02 0.00 0.00 58.31 55.46 1orr n LYS 234 Cb 0.00 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.51 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 -2.35 4.04 -0.06 1.97 0.00 -1.26 -1.56 119.66 120.44 1orr s GLN 235 Ca 0.31 2.22 0.02 0.00 -0.00 0.00 0.00 55.36 57.90 1orr s GLN 235 Cb 0.20 -2.83 -0.03 0.00 0.00 0.00 0.00 33.01 30.35 1orr s GLN 235 CO 0.45 -0.45 -0.09 0.08 0.00 0.00 0.00 175.29 175.29 1orr s VAL 236 N -1.22 3.56 0.00 3.63 1.01 0.35 -3.16 120.40 124.57 1orr s VAL 236 Ca 0.55 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1orr s VAL 236 Cb -0.39 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 1orr s VAL 236 CO 0.51 0.59 -0.04 -0.13 0.00 0.00 0.00 175.10 176.03 1orr s ARG 237 N -0.81 0.34 0.33 2.72 1.81 -0.70 -0.08 118.95 122.56 1orr s ARG 237 Ca 0.12 -0.21 -0.25 0.00 -1.72 0.00 0.00 55.73 53.67 1orr s ARG 237 Cb -0.11 -0.29 -0.10 0.00 -0.45 0.00 0.00 34.95 34.00 1orr s ARG 237 CO 0.01 0.08 0.94 0.16 -0.68 0.00 0.00 175.30 175.81 1orr s ASP 238 N -0.27 7.28 -0.09 0.23 -4.77 -0.64 -1.69 116.67 116.73 1orr s ASP 238 Ca -0.00 1.80 0.03 0.00 -3.30 0.00 0.00 52.55 51.08 1orr s ASP 238 Cb -0.03 -2.57 -0.01 0.00 -1.09 0.00 0.00 42.92 39.23 1orr s ASP 238 CO -0.00 -0.10 -0.20 0.68 0.70 0.00 0.00 175.17 176.25 1orr s VAL 239 N -1.68 2.45 -0.18 2.11 -7.23 -0.94 -3.64 120.40 111.30 1orr s VAL 239 Ca 0.51 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.79 1orr s VAL 239 Cb -0.17 -1.96 0.01 0.00 0.56 0.00 0.00 36.38 34.82 1orr s VAL 239 CO 0.22 0.56 -0.18 -0.22 -0.31 0.00 0.00 175.10 175.17 1orr s LEU 240 N 0.09 2.24 0.36 1.32 2.96 -0.72 -3.91 118.68 121.03 1orr s LEU 240 Ca -0.09 -0.60 -0.25 0.00 -0.22 0.00 0.00 54.13 52.96 1orr s LEU 240 Cb -0.15 -1.51 -0.09 0.00 0.50 0.00 0.00 46.19 44.93 1orr s LEU 240 CO 0.06 0.01 1.03 -2.28 -1.32 0.00 0.00 176.35 173.84 1orr s HIS 241 N 1.25 3.43 0.39 5.38 5.65 -1.26 -1.76 115.29 128.36 1orr s HIS 241 Ca 0.04 1.69 0.21 0.00 0.25 0.00 0.00 55.06 57.24 1orr s HIS 241 Cb -0.13 -3.09 1.19 0.00 -1.18 0.00 0.00 32.58 29.36 1orr s HIS 241 CO -0.10 -0.39 1.69 0.00 -0.65 0.00 0.00 174.74 175.29 1orr h ALA 242 N 2.88 2.29 -0.79 1.58 0.00 -1.27 0.11 119.26 124.06 1orr h ALA 242 Ca -0.48 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1orr h ALA 242 Cb 1.21 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 1orr h ALA 242 CO 0.64 -0.83 0.45 0.93 0.00 0.00 0.00 179.25 180.44 1orr h GLU 243 N 0.29 1.08 0.00 0.00 5.08 -1.91 -0.98 114.58 118.14 1orr h GLU 243 Ca 0.71 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.84 1orr h GLU 243 Cb 1.87 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.89 1orr h GLU 243 CO -0.43 0.78 -0.55 -0.44 -1.00 0.00 0.00 179.01 177.37 1orr h ASP 244 N 1.09 0.00 -0.29 1.42 3.32 -1.16 -3.06 116.42 117.75 1orr h ASP 244 Ca 0.28 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.17 1orr h ASP 244 Cb -0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1orr h ASP 244 CO -0.05 0.55 -0.44 -0.03 -1.72 0.00 0.00 179.24 177.55 1orr h MET 245 N 0.00 0.80 0.11 3.56 4.05 -0.83 -2.60 114.93 120.01 1orr h MET 245 Ca -0.01 -0.48 -0.00 0.00 -0.28 0.00 0.00 59.70 58.93 1orr h MET 245 Cb 0.99 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.83 1orr h MET 245 CO 0.07 1.11 -0.08 0.82 0.23 0.00 0.00 176.91 179.07 1orr h ILE 246 N 0.56 0.83 -0.83 1.77 2.04 -1.16 -1.38 117.51 119.35 1orr h ILE 246 Ca 0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.95 1orr h ILE 246 Cb 1.04 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 37.89 1orr h ILE 246 CO 0.10 0.00 0.50 0.77 0.00 0.00 0.00 178.15 179.53 1orr h SER 247 N -0.18 0.78 0.02 1.72 4.64 -1.57 -2.23 113.55 116.72 1orr h SER 247 Ca -0.01 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1orr h SER 247 Cb 0.16 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1orr h SER 247 CO -0.00 0.49 -0.02 0.25 -0.87 0.00 0.00 176.83 176.68 1orr h LEU 248 N 0.91 -0.04 0.20 5.97 5.85 -1.04 -0.36 115.31 126.80 1orr h LEU 248 Ca 0.37 0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.10 1orr h LEU 248 Cb 0.20 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1orr h LEU 248 CO -0.18 -0.03 -0.25 1.88 -0.34 0.00 0.00 178.44 179.52 1orr h TYR 249 N -0.04 -0.67 -0.56 1.25 -1.99 -0.82 0.56 116.97 114.71 1orr h TYR 249 Ca -0.00 0.01 -0.11 0.00 2.00 0.00 0.00 58.73 60.63 1orr h TYR 249 Cb 0.03 0.27 -0.02 0.00 2.00 0.00 0.00 36.73 39.01 1orr h TYR 249 CO -0.08 -0.36 -0.08 0.74 -0.00 0.00 0.00 178.16 178.37 1orr h PHE 250 N -0.50 1.15 -0.43 4.88 -1.00 -1.43 0.10 116.94 119.70 1orr h PHE 250 Ca 0.01 -0.23 -0.07 0.00 2.81 0.00 0.00 57.97 60.49 1orr h PHE 250 Cb 0.49 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 1orr h PHE 250 CO -0.19 1.05 0.00 1.79 -1.61 0.00 0.00 178.31 179.35 1orr h THR 251 N 0.93 1.26 -0.37 -1.55 1.35 -0.95 -0.88 112.91 112.70 1orr h THR 251 Ca 0.15 -1.03 -0.11 0.00 -0.55 0.00 0.00 66.41 64.87 1orr h THR 251 Cb 0.65 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 1orr h THR 251 CO 0.04 0.35 -0.23 0.00 -0.25 0.00 0.00 175.52 175.44 1orr h ALA 252 N 0.90 0.92 -0.81 6.62 0.00 -0.77 -1.89 119.26 124.24 1orr h ALA 252 Ca 0.12 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1orr h ALA 252 Cb 0.49 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1orr h ALA 252 CO 0.02 0.62 0.45 1.25 0.00 0.00 0.00 179.25 181.59 1orr h LEU 253 N 0.63 1.00 -1.79 0.00 5.85 -0.49 -1.52 115.31 119.00 1orr h LEU 253 Ca 0.09 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1orr h LEU 253 Cb 0.72 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1orr h LEU 253 CO 0.06 0.81 0.00 0.00 -0.34 0.00 0.00 178.44 178.96 1orr h ALA 254 N 1.24 1.00 -0.30 1.25 0.00 -0.63 -2.47 119.26 119.34 1orr h ALA 254 Ca 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1orr h ALA 254 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1orr h ALA 254 CO -0.05 0.00 0.01 0.09 0.00 0.00 0.00 179.25 179.30 1orr n ASN 255 N -2.96 3.96 -0.34 0.00 3.02 -0.66 -4.74 115.26 113.55 1orr n ASN 255 Ca -0.00 -3.07 0.17 0.00 -0.03 0.00 0.00 54.58 51.65 1orr n ASN 255 Cb 0.22 -0.57 0.40 0.00 -0.61 0.00 0.00 39.78 39.22 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 1.93 0.60 -0.17 2.41 3.04 -0.84 -1.03 116.25 122.20 1orr h VAL 256 Ca 0.02 -0.20 0.05 0.00 -1.01 0.00 0.00 66.70 65.56 1orr h VAL 256 Cb 1.53 -0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 30.75 1orr h VAL 256 CO 0.27 0.11 0.12 0.77 -1.01 0.00 0.00 177.57 177.83 1orr h SER 257 N 0.60 0.00 0.73 3.17 4.64 -1.86 0.13 113.55 120.97 1orr h SER 257 Ca 0.60 -0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.70 1orr h SER 257 Cb 1.17 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.22 1orr h SER 257 CO -0.39 0.00 -1.39 0.50 -0.87 0.00 0.00 176.83 174.68 1orr h LYS 258 N 0.00 0.00 -0.01 4.77 3.64 -1.58 -3.39 116.57 120.00 1orr h LYS 258 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1orr h LYS 258 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1orr h LYS 258 CO -0.00 0.51 -0.21 0.44 -2.27 0.00 0.00 179.45 177.92 1orr n ILE 259 N -3.06 0.00 -1.53 2.00 -5.35 -0.82 -5.04 119.36 105.56 1orr n ILE 259 Ca -0.10 -0.40 -0.43 0.00 -0.27 0.00 0.00 62.75 61.55 1orr n ILE 259 Cb 0.94 1.11 -0.00 0.00 -1.74 0.00 0.00 39.64 39.95 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 -0.29 0.94 -0.84 6.28 1.85 0.41 -2.61 116.66 122.40 1orr n ARG 260 Ca 0.04 0.34 0.00 0.00 -1.00 0.00 0.00 57.85 57.23 1orr n ARG 260 Cb 0.20 -1.69 0.00 0.00 -1.05 0.00 0.00 32.46 29.92 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 1.48 0.61 3.41 2.89 0.00 0.17 -4.94 105.19 108.83 1orr n GLY 261 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.09 3.26 0.01 1.61 0.01 -1.07 -4.92 114.94 111.74 1orr s ASN 262 Ca 0.00 -0.94 0.02 0.00 -0.71 0.00 0.00 52.86 51.23 1orr s ASN 262 Cb 0.00 -0.24 -0.04 0.00 0.41 0.00 0.00 41.25 41.38 1orr s ASN 262 CO 0.00 0.03 -0.02 0.00 -1.51 0.00 0.00 177.10 175.60 1orr s ALA 263 N -2.19 3.20 -0.02 0.60 0.00 -1.26 -1.58 121.76 120.52 1orr s ALA 263 Ca 0.23 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.23 1orr s ALA 263 Cb -0.06 -1.26 -0.00 0.00 0.00 0.00 0.00 23.12 21.80 1orr s ALA 263 CO 0.11 0.64 -0.08 -0.06 0.00 0.00 0.00 175.76 176.37 1orr s PHE 264 N -1.08 0.76 -0.03 0.00 0.40 -0.04 -4.96 117.98 113.04 1orr s PHE 264 Ca 0.19 -0.16 -0.29 0.00 -0.60 0.00 0.00 56.93 56.08 1orr s PHE 264 Cb -0.11 -0.53 -0.03 0.00 0.51 0.00 0.00 43.02 42.86 1orr s PHE 264 CO 0.10 -0.05 0.92 -0.80 0.70 0.00 0.00 175.22 176.09 1orr s ASN 265 N 0.04 7.27 -0.05 1.36 0.01 -1.26 -0.12 114.94 122.19 1orr s ASN 265 Ca -0.00 1.54 0.04 0.00 -0.71 0.00 0.00 52.86 53.73 1orr s ASN 265 Cb -0.06 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.07 1orr s ASN 265 CO -0.00 -0.25 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.54 1orr s ILE 266 N 1.09 1.41 0.06 0.60 -1.09 -0.60 -4.51 121.20 118.17 1orr s ILE 266 Ca 0.48 -0.68 -0.27 0.00 -2.23 0.00 0.00 60.65 57.95 1orr s ILE 266 Cb -0.20 -1.22 0.09 0.00 -1.58 0.00 0.00 42.46 39.55 1orr s ILE 266 CO 0.25 0.41 1.17 -0.83 -1.23 0.00 0.00 174.94 174.71 1orr s GLY 267 N 0.20 -0.16 0.02 6.18 0.00 -1.26 -1.47 107.32 110.82 1orr s GLY 267 Ca -0.07 0.14 0.17 0.00 0.00 0.00 0.00 44.72 44.96 1orr s GLY 267 CO 0.03 2.30 1.55 0.61 0.00 0.00 0.00 173.10 177.58 1orr n GLY 268 N -0.66 -1.09 0.15 0.20 0.00 -1.25 -4.85 105.19 97.68 1orr n GLY 268 Ca -0.03 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.54 -0.03 -0.29 2.61 -2.24 -1.26 -3.91 114.28 107.62 1orr n THR 269 Ca 0.04 0.06 0.11 0.00 -2.27 0.00 0.00 64.05 61.99 1orr n THR 269 Cb 0.20 -0.12 0.26 0.00 -2.10 0.00 0.00 70.33 68.57 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 -0.15 0.38 0.00 2.28 6.09 -1.81 0.38 117.51 124.68 1orr h ILE 270 Ca -0.01 -0.08 -0.00 0.00 -1.37 0.00 0.00 64.86 63.39 1orr h ILE 270 Cb 0.14 0.12 -0.00 0.00 0.47 0.00 0.00 36.82 37.55 1orr h ILE 270 CO 0.01 0.04 -0.02 -0.37 -3.07 0.00 0.00 178.15 174.74 1orr h VAL 271 N 0.24 0.58 -0.51 2.19 -1.51 -1.98 -1.43 116.25 113.83 1orr h VAL 271 Ca 0.51 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.89 1orr h VAL 271 Cb 0.99 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 1orr h VAL 271 CO -0.61 0.02 0.00 0.59 -1.23 0.00 0.00 177.57 176.34 1orr n ASN 272 N -3.88 4.87 -4.76 4.19 3.02 0.13 -4.81 115.26 114.02 1orr n ASN 272 Ca -0.03 -2.75 -0.40 0.00 -0.03 0.00 0.00 54.58 51.37 1orr n ASN 272 Cb 0.11 -0.60 -0.04 0.00 -0.61 0.00 0.00 39.78 38.65 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 -1.10 7.17 -0.01 6.41 1.04 -0.54 -2.22 113.70 124.45 1orr s SER 273 Ca 0.49 2.33 -0.06 0.00 0.48 0.00 0.00 55.95 59.19 1orr s SER 273 Cb 0.36 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.85 1orr s SER 273 CO 0.17 -0.23 0.12 -0.76 0.98 0.00 0.00 173.24 173.52 1orr s LEU 274 N -1.35 1.61 0.46 2.42 1.43 -0.68 -4.96 118.68 117.61 1orr s LEU 274 Ca 0.46 -0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.54 1orr s LEU 274 Cb -0.33 0.55 0.03 0.00 0.03 0.00 0.00 46.19 46.46 1orr s LEU 274 CO 0.42 -0.27 0.63 -0.94 0.23 0.00 0.00 176.35 176.43 1orr s SER 275 N -0.96 5.51 0.12 2.29 1.04 -1.26 -1.72 113.70 118.71 1orr s SER 275 Ca -0.10 -0.45 -0.16 0.00 0.48 0.00 0.00 55.95 55.72 1orr s SER 275 Cb -0.06 -0.51 -0.03 0.00 0.10 0.00 0.00 66.02 65.52 1orr s SER 275 CO 0.01 -0.91 1.59 -0.07 0.98 0.00 0.00 173.24 174.84 1orr h LEU 276 N 0.49 0.58 -0.51 2.42 3.38 -0.93 0.30 115.31 121.03 1orr h LEU 276 Ca -0.38 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 57.39 1orr h LEU 276 Cb 1.28 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.82 1orr h LEU 276 CO 0.45 0.69 0.20 -0.07 0.09 0.00 0.00 178.44 179.80 1orr h LEU 277 N 0.44 0.22 -0.97 1.67 3.38 -1.60 0.14 115.31 118.59 1orr h LEU 277 Ca 0.11 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 1orr h LEU 277 Cb 0.36 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1orr h LEU 277 CO 0.01 0.16 0.09 -0.33 0.09 0.00 0.00 178.44 178.45 1orr h GLU 278 N 0.39 0.84 -0.52 1.13 5.08 -1.74 -1.70 114.58 118.06 1orr h GLU 278 Ca 0.24 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1orr h GLU 278 Cb 0.24 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1orr h GLU 278 CO -0.23 0.79 0.05 1.25 -1.00 0.00 0.00 179.01 179.86 1orr h LEU 279 N 0.80 0.80 -0.42 1.33 5.85 0.95 -2.72 115.31 121.89 1orr h LEU 279 Ca 0.17 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1orr h LEU 279 Cb 0.36 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1orr h LEU 279 CO 0.01 0.83 0.13 -0.26 -0.34 0.00 0.00 178.44 178.82 1orr h PHE 280 N 0.79 0.68 -0.04 1.25 0.04 -0.28 -2.68 116.94 116.71 1orr h PHE 280 Ca 0.16 -0.07 0.03 0.00 2.80 0.00 0.00 57.97 60.89 1orr h PHE 280 Cb 0.41 -0.20 -0.06 0.00 2.20 0.00 0.00 35.95 38.30 1orr h PHE 280 CO 0.02 0.62 -0.52 -0.22 -0.60 0.00 0.00 178.31 177.61 1orr h LYS 281 N 0.54 -0.61 -0.76 1.51 1.63 -1.03 0.91 116.57 118.76 1orr h LYS 281 Ca 0.14 0.04 0.15 0.00 -0.85 0.00 0.00 60.65 60.13 1orr h LYS 281 Cb 0.26 0.14 -0.14 0.00 -0.60 0.00 0.00 32.23 31.89 1orr h LYS 281 CO -0.00 -0.41 -0.22 1.25 -3.45 0.00 0.00 179.45 176.61 1orr h LEU 282 N -0.64 -0.82 -0.36 5.20 5.85 -1.44 0.20 115.31 123.30 1orr h LEU 282 Ca 0.02 0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 1orr h LEU 282 Cb 0.71 0.51 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1orr h LEU 282 CO -0.38 -0.27 0.04 -0.07 -0.34 0.00 0.00 178.44 177.43 1orr h LEU 283 N -0.02 0.59 0.35 2.25 3.38 -1.04 -1.84 115.31 118.97 1orr h LEU 283 Ca 0.35 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1orr h LEU 283 Cb 0.57 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1orr h LEU 283 CO -0.79 0.71 -0.28 -0.33 0.09 0.00 0.00 178.44 177.84 1orr h GLU 284 N 0.44 -0.61 -0.04 1.13 5.08 0.22 0.23 114.58 121.03 1orr h GLU 284 Ca 0.11 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1orr h GLU 284 Cb 0.38 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1orr h GLU 284 CO 0.01 -0.40 0.18 -0.44 -1.00 0.00 0.00 179.01 177.35 1orr h ASP 285 N -0.63 0.00 0.03 1.42 5.19 -0.54 0.83 116.42 122.72 1orr h ASP 285 Ca -0.03 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.05 1orr h ASP 285 Cb 0.55 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.02 1orr h ASP 285 CO -0.01 0.00 -1.88 0.00 -3.12 0.00 0.00 179.24 174.23 1orr n TYR 286 N -3.17 0.73 0.01 4.55 9.36 -0.70 -4.29 117.16 123.65 1orr n TYR 286 Ca -0.02 0.25 0.08 0.00 3.32 0.00 0.00 57.90 61.53 1orr n TYR 286 Cb 0.25 -1.08 0.27 0.00 -0.63 0.00 0.00 39.34 38.15 1orr n TYR 286 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1orr n ASN 288 N 1.00 -4.30 -3.52 0.00 3.02 0.28 -4.96 115.26 106.79 1orr n ASN 288 Ca 0.20 -1.07 -0.22 0.00 -0.03 0.00 0.00 54.58 53.46 1orr n ASN 288 Cb 0.61 -3.00 -0.07 0.00 -0.61 0.00 0.00 39.78 36.71 1orr n ASN 288 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1orr n ILE 289 N -4.38 0.00 -3.77 2.41 -5.35 -0.77 -5.04 119.36 102.46 1orr n ILE 289 Ca -0.13 -2.37 -0.26 0.00 -0.27 0.00 0.00 62.75 59.72 1orr n ILE 289 Cb 0.60 1.02 -0.17 0.00 -1.74 0.00 0.00 39.64 39.35 1orr n ILE 289 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1orr s ASP 290 N -3.38 2.45 -0.46 7.28 1.01 -1.26 -4.58 116.67 117.73 1orr s ASP 290 Ca 0.30 -0.55 -0.17 0.00 0.71 0.00 0.00 52.55 52.83 1orr s ASP 290 Cb 0.01 -0.59 0.04 0.00 1.01 0.00 0.00 42.92 43.39 1orr s ASP 290 CO 0.21 -0.25 0.48 -0.04 0.21 0.00 0.00 175.17 175.78 1orr s MET 291 N 1.86 3.07 -0.12 8.23 -1.94 -1.26 -5.04 119.30 124.10 1orr s MET 291 Ca 0.01 -0.93 -0.04 0.00 -1.71 0.00 0.00 55.69 53.03 1orr s MET 291 Cb -0.15 -4.04 -0.03 0.00 2.01 0.00 0.00 34.83 32.62 1orr s MET 291 CO -0.07 -0.99 0.01 1.03 -0.01 0.00 0.00 175.02 174.99 1orr s ARG 292 N 2.16 3.35 0.22 2.03 1.81 -1.26 -5.09 118.95 122.17 1orr s ARG 292 Ca 0.11 -0.40 -0.09 0.00 -1.72 0.00 0.00 55.73 53.62 1orr s ARG 292 Cb -0.19 -2.92 -0.01 0.00 -0.45 0.00 0.00 34.95 31.37 1orr s ARG 292 CO 0.12 0.53 0.36 -0.59 -0.68 0.00 0.00 175.30 175.04 1orr s PHE 293 N -0.39 0.55 0.38 -0.53 -0.12 -1.26 -2.21 117.98 114.40 1orr s PHE 293 Ca 0.08 -0.88 0.08 0.00 -0.05 0.00 0.00 56.93 56.16 1orr s PHE 293 Cb -0.12 -0.03 -0.03 0.00 -0.63 0.00 0.00 43.02 42.21 1orr s PHE 293 CO 0.02 -0.86 0.26 0.95 -0.05 0.00 0.00 175.22 175.54 1orr s THR 294 N -4.04 2.89 -0.06 -4.49 -4.23 0.26 -4.86 115.64 101.11 1orr s THR 294 Ca 0.25 -1.50 0.04 0.00 -1.18 0.00 0.00 61.69 59.31 1orr s THR 294 Cb 0.02 -3.04 -0.02 0.00 1.34 0.00 0.00 72.50 70.80 1orr s THR 294 CO 0.08 -0.09 -0.19 0.20 -0.54 0.00 0.00 174.62 174.09 1orr s ASN 295 N -3.99 3.63 0.31 3.99 0.02 -1.26 -1.79 114.94 115.85 1orr s ASN 295 Ca 0.43 -0.34 0.07 0.00 -1.02 0.00 0.00 52.86 52.00 1orr s ASN 295 Cb -0.02 -0.88 -0.03 0.00 0.02 0.00 0.00 41.25 40.34 1orr s ASN 295 CO 0.25 0.29 0.30 -0.76 0.02 0.00 0.00 177.10 177.20 1orr s LEU 296 N -0.41 3.75 0.80 0.60 1.43 0.22 -4.95 118.68 120.12 1orr s LEU 296 Ca 0.04 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 52.67 1orr s LEU 296 Cb -0.12 -2.36 0.07 0.00 0.03 0.00 0.00 46.19 43.81 1orr s LEU 296 CO 0.02 -0.27 1.09 -2.84 0.23 0.00 0.00 176.35 174.58 1orr s PRO 297 N -3.98 2.04 0.36 1.29 0.02 -1.26 -1.22 135.00 132.24 1orr s PRO 297 Ca 0.39 1.14 -0.28 0.00 0.02 0.00 0.00 61.00 62.27 1orr s PRO 297 Cb -0.07 -1.87 -0.11 0.00 0.02 0.00 0.00 34.50 32.47 1orr s PRO 297 CO 0.27 -1.79 1.48 0.08 -0.33 0.00 0.00 177.00 176.71 1orr s VAL 298 N -2.89 2.14 1.17 3.83 1.01 -1.26 -3.64 120.40 120.75 1orr s VAL 298 Ca 0.62 0.13 -0.13 0.00 0.00 0.00 0.00 61.98 62.60 1orr s VAL 298 Cb -0.18 -3.09 0.28 0.00 0.00 0.00 0.00 36.38 33.40 1orr s VAL 298 CO 0.56 0.03 1.03 0.00 0.00 0.00 0.00 175.10 176.72 1orr s ARG 299 N -1.82 -0.93 0.00 2.72 1.04 -1.26 -4.91 118.95 113.78 1orr s ARG 299 Ca 0.54 0.71 -0.02 0.00 -1.04 0.00 0.00 55.73 55.91 1orr s ARG 299 Cb -0.46 -1.56 -0.11 0.00 -2.04 0.00 0.00 34.95 30.78 1orr s ARG 299 CO 0.60 -3.70 2.08 0.39 -0.04 0.00 0.00 175.30 174.63 1orr n GLU 300 N -4.88 1.06 0.00 3.89 1.02 -1.26 -4.99 120.64 115.49 1orr n GLU 300 Ca 0.03 -0.41 0.00 0.00 -0.02 0.00 0.00 57.16 56.77 1orr n GLU 300 Cb 0.55 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 1orr n GLU 300 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1orr n ASP 302 N 2.29 0.00 -4.73 1.62 2.03 -1.26 -4.91 116.55 111.59 1orr n ASP 302 Ca 0.17 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.10 1orr n ASP 302 Cb 0.50 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.84 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 -0.26 4.34 0.33 -0.67 -0.21 -1.26 -4.83 119.66 117.10 1orr s GLN 303 Ca 0.00 0.60 0.07 0.00 0.02 0.00 0.00 55.36 56.04 1orr s GLN 303 Cb 0.00 -3.41 0.58 0.00 1.00 0.00 0.00 33.01 31.17 1orr s GLN 303 CO 0.00 0.19 1.79 0.00 -2.12 0.00 0.00 175.29 175.15 1orr h ARG 304 N 6.46 0.28 -3.17 2.91 3.08 -1.91 -3.43 114.38 118.60 1orr h ARG 304 Ca -0.42 -0.10 -0.18 0.00 0.07 0.00 0.00 59.98 59.35 1orr h ARG 304 Cb 1.19 -0.02 -0.26 0.00 0.08 0.00 0.00 29.97 30.95 1orr h ARG 304 CO 0.74 0.53 -0.46 0.08 -1.07 0.00 0.00 179.97 179.79 1orr s VAL 305 N -4.45 -0.01 -0.19 2.04 1.01 -1.26 -0.49 120.40 117.05 1orr s VAL 305 Ca -0.05 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 1orr s VAL 305 Cb 0.14 -0.33 0.07 0.00 0.00 0.00 0.00 36.38 36.27 1orr s VAL 305 CO 0.76 0.01 0.12 0.12 0.00 0.00 0.00 175.10 176.11 1orr s PHE 306 N 0.29 0.13 -0.06 5.22 5.36 0.89 -4.97 117.98 124.84 1orr s PHE 306 Ca -0.01 -0.31 0.01 0.00 -0.96 0.00 0.00 56.93 55.66 1orr s PHE 306 Cb -0.03 -0.67 0.02 0.00 -0.34 0.00 0.00 43.02 42.00 1orr s PHE 306 CO -0.01 -0.58 -0.07 0.08 -1.46 0.00 0.00 175.22 173.18 1orr s VAL 307 N 2.17 0.77 0.09 3.12 1.01 -1.26 -1.61 120.40 124.68 1orr s VAL 307 Ca 0.04 -0.24 -0.21 0.00 0.00 0.00 0.00 61.98 61.57 1orr s VAL 307 Cb -0.16 -0.77 -0.07 0.00 0.00 0.00 0.00 36.38 35.39 1orr s VAL 307 CO -0.14 0.28 0.62 0.00 0.00 0.00 0.00 175.10 175.87 1orr s ALA 308 N 0.99 3.54 -0.51 5.51 0.00 -1.26 0.26 121.76 130.28 1orr s ALA 308 Ca -0.09 0.11 -0.18 0.00 0.00 0.00 0.00 51.96 51.80 1orr s ALA 308 Cb -0.14 -2.73 0.07 0.00 0.00 0.00 0.00 23.12 20.32 1orr s ALA 308 CO 0.00 0.34 0.58 0.34 0.00 0.00 0.00 175.76 177.02 1orr s ASP 309 N -0.99 6.20 -0.07 0.00 -1.08 -0.25 -4.38 116.67 116.08 1orr s ASP 309 Ca 0.31 -1.13 0.11 0.00 -0.52 0.00 0.00 52.55 51.32 1orr s ASP 309 Cb -0.20 -2.26 0.44 0.00 -1.46 0.00 0.00 42.92 39.43 1orr s ASP 309 CO 0.21 -0.87 1.28 2.30 0.52 0.00 0.00 175.17 178.61 1orr n ILE 310 N 5.49 1.13 -0.26 4.11 -5.35 -1.26 -4.54 119.36 118.67 1orr n ILE 310 Ca -0.09 -0.71 0.07 0.00 -0.27 0.00 0.00 62.75 61.76 1orr n ILE 310 Cb 0.44 -0.05 0.20 0.00 -1.74 0.00 0.00 39.64 38.49 1orr n ILE 310 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1orr h LYS 311 N 2.46 0.19 -0.10 6.28 1.57 -1.92 -0.96 116.57 124.08 1orr h LYS 311 Ca 0.00 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1orr h LYS 311 Cb 0.99 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.21 1orr h LYS 311 CO 0.15 0.12 -0.25 -0.22 -0.57 0.00 0.00 179.45 178.69 1orr h LYS 312 N 0.19 -0.32 -0.39 3.15 3.64 -1.94 0.29 116.57 121.20 1orr h LYS 312 Ca 0.45 0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.70 1orr h LYS 312 Cb 0.81 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 1orr h LYS 312 CO -0.60 -0.21 -0.33 0.97 -2.27 0.00 0.00 179.45 177.01 1orr h ILE 313 N -0.33 1.27 -0.47 2.00 6.09 -1.79 -1.30 117.51 122.99 1orr h ILE 313 Ca 0.09 -1.50 0.02 0.00 -1.37 0.00 0.00 64.86 62.10 1orr h ILE 313 Cb 0.46 1.36 -0.03 0.00 0.47 0.00 0.00 36.82 39.08 1orr h ILE 313 CO -0.29 0.50 0.29 0.71 -3.07 0.00 0.00 178.15 176.29 1orr h THR 314 N 0.73 1.07 -0.82 2.19 1.35 -0.83 0.15 112.91 116.75 1orr h THR 314 Ca 0.07 -0.20 -0.03 0.00 -0.55 0.00 0.00 66.41 65.70 1orr h THR 314 Cb 0.92 0.44 -0.04 0.00 -1.73 0.00 0.00 68.15 67.74 1orr h THR 314 CO 0.09 0.11 0.39 0.78 -0.25 0.00 0.00 175.52 176.63 1orr h ASN 315 N 0.58 1.07 -0.17 5.36 2.35 -0.35 0.74 115.58 125.17 1orr h ASN 315 Ca 0.18 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.72 1orr h ASN 315 Cb -0.01 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.08 1orr h ASN 315 CO -0.07 0.91 -0.20 0.00 -1.65 0.00 0.00 177.43 176.42 1orr h ALA 316 N 1.25 0.25 0.00 -0.83 0.00 -0.29 -3.39 119.26 116.26 1orr h ALA 316 Ca 0.28 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1orr h ALA 316 Cb 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1orr h ALA 316 CO -0.03 0.19 0.00 0.44 0.00 0.00 0.00 179.25 179.84 1orr n ILE 317 N -4.47 0.17 -2.46 0.00 -5.35 0.42 -5.02 119.36 102.64 1orr n ILE 317 Ca -0.06 -0.35 -0.16 0.00 -0.27 0.00 0.00 62.75 61.91 1orr n ILE 317 Cb 0.40 1.23 0.00 0.00 -1.74 0.00 0.00 39.64 39.54 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 -0.08 -4.74 -4.88 7.28 2.03 0.26 -5.01 116.55 111.40 1orr n ASP 318 Ca 0.00 -0.08 -0.34 0.00 0.52 0.00 0.00 54.79 54.89 1orr n ASP 318 Cb 0.19 -3.78 -0.05 0.00 -0.72 0.00 0.00 41.12 36.76 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 -2.85 3.57 -0.11 -0.67 -0.00 -1.26 -5.01 118.94 112.60 1orr s TRP 319 Ca 0.07 0.60 -0.22 0.00 -0.00 0.00 0.00 56.10 56.55 1orr s TRP 319 Cb -0.03 -2.02 0.05 0.00 -0.00 0.00 0.00 33.47 31.47 1orr s TRP 319 CO 0.09 0.57 0.54 -1.54 -0.00 0.00 0.00 176.95 176.61 1orr s SER 320 N -1.83 -0.51 0.22 5.86 1.04 -1.26 -4.18 113.70 113.04 1orr s SER 320 Ca 0.30 0.75 -0.30 0.00 0.48 0.00 0.00 55.95 57.19 1orr s SER 320 Cb -0.13 0.76 -0.09 0.00 0.10 0.00 0.00 66.02 66.66 1orr s SER 320 CO 0.18 -0.38 1.29 -2.84 0.98 0.00 0.00 173.24 172.47 1orr s PRO 321 N -0.55 4.40 -0.01 4.02 0.02 -1.26 -4.92 135.00 136.70 1orr s PRO 321 Ca -0.07 2.05 0.17 0.00 0.02 0.00 0.00 61.00 63.18 1orr s PRO 321 Cb -0.03 -3.18 -0.23 0.00 0.02 0.00 0.00 34.50 31.08 1orr s PRO 321 CO 0.04 -0.21 0.56 1.63 -0.33 0.00 0.00 177.00 178.69 1orr n LYS 322 N 2.33 0.93 -3.50 5.54 5.02 -1.26 -4.93 118.16 122.29 1orr n LYS 322 Ca 0.05 -0.08 -0.40 0.00 -2.02 0.00 0.00 58.31 55.86 1orr n LYS 322 Cb 0.43 -1.36 -0.10 0.00 -0.02 0.00 0.00 35.03 33.97 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 -2.93 5.25 0.57 -0.18 1.01 -1.26 -5.07 120.40 117.79 1orr s VAL 323 Ca -0.00 0.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.87 1orr s VAL 323 Cb 0.12 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 1orr s VAL 323 CO 0.72 0.07 1.07 -0.94 0.00 0.00 0.00 175.10 176.02 1orr s SER 324 N 1.73 5.79 0.17 3.32 1.04 -1.26 -4.71 113.70 119.76 1orr s SER 324 Ca 0.09 1.94 -0.16 0.00 0.48 0.00 0.00 55.95 58.30 1orr s SER 324 Cb -0.17 -2.55 0.11 0.00 0.10 0.00 0.00 66.02 63.51 1orr s SER 324 CO 0.11 -1.17 1.71 0.00 0.98 0.00 0.00 173.24 174.87 1orr h ALA 325 N 0.76 0.39 0.12 5.32 0.00 -1.87 0.80 119.26 124.78 1orr h ALA 325 Ca -0.48 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1orr h ALA 325 Cb 1.23 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1orr h ALA 325 CO 0.57 -0.37 -0.18 -0.22 0.00 0.00 0.00 179.25 179.06 1orr h LYS 326 N 0.15 -0.34 0.32 0.00 3.64 -1.96 0.57 116.57 118.94 1orr h LYS 326 Ca 0.19 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1orr h LYS 326 Cb 0.26 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1orr h LYS 326 CO -0.29 -0.23 -0.20 -0.44 -2.27 0.00 0.00 179.45 176.02 1orr h ASP 327 N -0.36 -0.51 -0.89 4.20 3.32 -1.79 -2.42 116.42 117.97 1orr h ASP 327 Ca 0.02 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.13 1orr h ASP 327 Cb 0.37 0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.02 1orr h ASP 327 CO -0.09 -0.32 0.59 1.23 -1.72 0.00 0.00 179.24 178.93 1orr h GLY 328 N -0.51 1.27 1.01 2.75 0.00 0.79 -2.51 103.07 105.87 1orr h GLY 328 Ca -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1orr h GLY 328 CO 0.03 0.40 0.52 -2.08 0.00 0.00 0.00 176.54 175.40 1orr h VAL 329 N 1.14 1.22 -0.44 4.60 2.07 0.56 0.40 116.25 125.80 1orr h VAL 329 Ca 0.35 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1orr h VAL 329 Cb -0.02 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 1orr h VAL 329 CO -0.10 0.22 0.12 1.56 0.02 0.00 0.00 177.57 179.39 1orr h GLN 330 N 1.12 0.69 -0.66 1.57 4.20 -1.17 0.59 115.11 121.45 1orr h GLN 330 Ca 0.30 -0.16 0.02 0.00 0.06 0.00 0.00 58.65 58.86 1orr h GLN 330 Cb -0.08 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.57 1orr h GLN 330 CO -0.06 0.69 0.43 0.87 -0.67 0.00 0.00 178.83 180.09 1orr h LYS 331 N 0.57 0.84 -0.64 1.46 1.57 -1.22 0.14 116.57 119.30 1orr h LYS 331 Ca 0.14 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1orr h LYS 331 Cb 0.30 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1orr h LYS 331 CO -0.00 0.56 0.40 1.98 -0.57 0.00 0.00 179.45 181.81 1orr h MET 332 N 0.86 0.86 0.18 3.15 4.05 -0.46 0.15 114.93 123.73 1orr h MET 332 Ca 0.25 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.61 1orr h MET 332 Cb -0.06 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.54 1orr h MET 332 CO -0.07 0.59 -0.18 -0.92 0.23 0.00 0.00 176.91 176.56 1orr h TYR 333 N 0.86 -0.48 -0.53 1.39 3.20 -0.14 0.60 116.97 121.88 1orr h TYR 333 Ca 0.23 0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.20 1orr h TYR 333 Cb -0.05 0.19 -0.08 0.00 1.54 0.00 0.00 36.73 38.32 1orr h TYR 333 CO -0.02 -0.28 0.06 -0.44 -1.64 0.00 0.00 178.16 175.84 1orr h ASP 334 N -0.40 -0.11 -0.61 -2.11 3.32 -0.18 0.68 116.42 117.02 1orr h ASP 334 Ca 0.00 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1orr h ASP 334 Cb 0.38 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 1orr h ASP 334 CO -0.05 -0.03 0.32 -0.25 -1.72 0.00 0.00 179.24 177.52 1orr h TRP 335 N 0.18 0.84 -0.39 4.55 7.01 -0.34 -2.11 115.95 125.69 1orr h TRP 335 Ca 0.27 -0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.24 1orr h TRP 335 Cb 0.40 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 27.18 1orr h TRP 335 CO -0.28 0.61 0.22 1.15 -2.79 0.00 0.00 178.44 177.36 1orr h THR 336 N 0.82 1.14 -0.40 2.65 2.02 0.22 -1.94 112.91 117.42 1orr h THR 336 Ca 0.21 -0.33 0.08 0.00 0.77 0.00 0.00 66.41 67.14 1orr h THR 336 Cb 0.06 0.65 -0.07 0.00 -1.74 0.00 0.00 68.15 67.06 1orr h THR 336 CO -0.03 0.14 -0.03 -1.28 0.37 0.00 0.00 175.52 174.68 1orr h SER 337 N 0.50 -0.23 -0.78 4.18 0.87 -0.75 -1.68 113.55 115.66 1orr h SER 337 Ca 0.14 0.10 0.23 0.00 -1.23 0.00 0.00 61.79 61.03 1orr h SER 337 Cb 0.03 0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 1orr h SER 337 CO -0.02 -0.07 0.86 0.77 -0.53 0.00 0.00 176.83 177.83 1orr h SER 338 N 0.07 0.00 0.00 6.23 4.64 -0.65 -3.52 113.55 120.32 1orr h SER 338 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1orr h SER 338 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1orr h SER 338 CO -0.35 0.00 0.00 -0.38 -0.87 0.00 0.00 176.83 175.23