#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wtg s VAL 17 N 0.00 4.58 -0.10 1.39 1.01 0.20 -4.12 120.40 123.35 1wtg s VAL 17 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1wtg s VAL 17 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1wtg s VAL 17 CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1wtg n GLY 18 N 4.46 0.47 0.00 4.51 0.00 -1.25 -2.21 105.19 111.17 1wtg n GLY 18 Ca -0.16 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1wtg n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wtg n GLY 19 N -2.83 2.11 3.26 -0.02 0.00 -1.26 -4.91 105.19 101.54 1wtg n GLY 19 Ca -0.01 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 43.92 1wtg n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wtg s LYS 20 N 3.24 1.10 0.28 1.61 1.02 -0.58 -4.95 119.74 121.46 1wtg s LYS 20 Ca 0.00 -1.36 -0.30 0.00 0.02 0.00 0.00 55.97 54.34 1wtg s LYS 20 Cb 0.00 0.31 -0.10 0.00 -0.52 0.00 0.00 37.83 37.52 1wtg s LYS 20 CO 0.00 -0.37 1.46 0.08 -0.92 0.00 0.00 175.35 175.60 1wtg s VAL 21 N -4.03 2.49 -0.45 3.17 1.01 -1.26 -0.46 120.40 120.87 1wtg s VAL 21 Ca 0.24 0.42 -0.26 0.00 0.00 0.00 0.00 61.98 62.38 1wtg s VAL 21 Cb 0.05 -3.27 0.03 0.00 0.00 0.00 0.00 36.38 33.19 1wtg s VAL 21 CO 0.03 0.07 0.94 0.00 0.00 0.00 0.00 175.10 176.15 1wtg n PRO 23 N 7.14 0.81 -1.71 0.00 -0.02 -1.26 -4.70 135.00 135.27 1wtg n PRO 23 Ca 0.07 0.29 -0.61 0.00 -2.02 0.00 0.00 63.50 61.22 1wtg n PRO 23 Cb 0.48 -1.74 -0.08 0.00 -0.02 0.00 0.00 33.50 32.14 1wtg n PRO 23 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1wtg n LYS 24 N 1.67 0.63 0.00 -0.52 4.81 -1.26 -0.45 118.16 123.04 1wtg n LYS 24 Ca 0.16 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 1wtg n LYS 24 Cb 0.21 -1.83 0.00 0.00 0.02 0.00 0.00 35.03 33.43 1wtg n LYS 24 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wtg n GLY 25 N 3.84 2.15 0.21 3.14 0.00 -1.26 -4.91 105.19 108.36 1wtg n GLY 25 Ca 0.27 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.43 1wtg n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wtg n GLU 26 N -2.00 0.98 -2.75 1.61 1.02 0.40 -3.74 120.64 116.16 1wtg n GLU 26 Ca 0.00 -0.43 -0.18 0.00 -0.02 0.00 0.00 57.16 56.53 1wtg n GLU 26 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 1wtg n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wtg h PRO 28 N 2.88 0.00 -0.01 0.00 0.13 -1.80 -2.27 132.00 130.93 1wtg h PRO 28 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1wtg h PRO 28 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1wtg h PRO 28 CO 0.64 0.00 -0.15 -2.67 -0.23 0.00 0.00 178.00 175.59 1wtg n TRP 29 N -3.48 0.00 -2.08 1.56 2.14 -0.98 -2.52 117.44 112.08 1wtg n TRP 29 Ca -0.02 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.14 1wtg n TRP 29 Cb 0.16 -0.08 -0.03 0.00 -0.81 0.00 0.00 31.31 30.56 1wtg n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1wtg s GLN 30 N -2.30 4.30 0.04 -2.67 2.00 -0.86 -1.24 119.66 118.93 1wtg s GLN 30 Ca 0.30 2.22 0.07 0.00 -2.00 0.00 0.00 55.36 55.95 1wtg s GLN 30 Cb 0.20 -3.15 -0.03 0.00 0.80 0.00 0.00 33.01 30.82 1wtg s GLN 30 CO 0.44 -0.40 -0.18 0.08 -0.50 0.00 0.00 175.29 174.73 1wtg s VAL 31 N 0.29 2.77 -0.20 1.34 1.01 0.07 -4.36 120.40 121.32 1wtg s VAL 31 Ca 0.60 -1.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 1wtg s VAL 31 Cb -0.40 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 1wtg s VAL 31 CO 0.39 0.35 -0.05 -0.22 0.00 0.00 0.00 175.10 175.57 1wtg s LEU 32 N -1.39 2.91 -0.14 3.92 2.96 -0.42 -1.75 118.68 124.77 1wtg s LEU 32 Ca 0.14 -0.36 -0.06 0.00 -0.22 0.00 0.00 54.13 53.64 1wtg s LEU 32 Cb -0.10 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 1wtg s LEU 32 CO 0.05 0.02 0.05 -0.76 -1.32 0.00 0.00 176.35 174.40 1wtg s LEU 33 N 1.22 3.83 0.10 -0.68 1.43 0.20 -0.03 118.68 124.75 1wtg s LEU 33 Ca 0.03 0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.36 1wtg s LEU 33 Cb -0.14 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1wtg s LEU 33 CO -0.01 0.28 -0.17 -0.76 0.23 0.00 0.00 176.35 175.91 1wtg s LEU 34 N -0.26 2.32 -0.08 1.79 1.43 0.46 -0.76 118.68 123.58 1wtg s LEU 34 Ca 0.08 -0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 52.47 1wtg s LEU 34 Cb -0.12 -0.68 0.03 0.00 0.03 0.00 0.00 46.19 45.45 1wtg s LEU 34 CO 0.02 -0.04 -0.03 0.54 0.23 0.00 0.00 176.35 177.07 1wtg s VAL 35 N -1.47 0.62 -1.70 -1.59 0.11 -0.48 -0.33 120.40 115.57 1wtg s VAL 35 Ca 0.05 -0.05 -0.02 0.00 -2.93 0.00 0.00 61.98 59.02 1wtg s VAL 35 Cb -0.09 -0.72 0.00 0.00 -1.53 0.00 0.00 36.38 34.05 1wtg s VAL 35 CO 0.03 0.29 0.23 0.59 -3.33 0.00 0.00 175.10 172.92 1wtg n ASN 37 N 4.92 -6.01 0.00 3.54 3.02 -0.65 -1.34 115.26 118.74 1wtg n ASN 37 Ca -0.11 -0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 1wtg n ASN 37 Cb 0.50 -4.95 0.00 0.00 -0.61 0.00 0.00 39.78 34.73 1wtg n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wtg n GLY 38 N -1.21 1.23 3.87 7.41 0.00 -1.26 -5.01 105.19 110.21 1wtg n GLY 38 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1wtg n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wtg s ALA 39 N -3.50 3.80 0.19 4.61 0.00 -0.45 -5.02 121.76 121.39 1wtg s ALA 39 Ca 0.00 -0.48 -0.32 0.00 0.00 0.00 0.00 51.96 51.16 1wtg s ALA 39 Cb 0.00 -2.16 -0.12 0.00 0.00 0.00 0.00 23.12 20.84 1wtg s ALA 39 CO 0.00 0.60 1.74 0.94 0.00 0.00 0.00 175.76 179.04 1wtg n GLN 40 N 1.24 2.74 0.01 0.00 7.27 -1.26 -1.38 117.38 126.00 1wtg n GLN 40 Ca -0.12 0.99 -0.02 0.00 0.07 0.00 0.00 57.00 57.92 1wtg n GLN 40 Cb 0.53 -2.84 -0.01 0.00 2.41 0.00 0.00 30.24 30.33 1wtg n GLN 40 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1wtg n LEU 41 N 4.26 0.75 -3.83 1.69 7.94 0.06 -4.85 117.00 123.02 1wtg n LEU 41 Ca 0.16 0.11 -0.07 0.00 -1.11 0.00 0.00 56.01 55.10 1wtg n LEU 41 Cb 0.35 -0.25 0.03 0.00 0.53 0.00 0.00 43.42 44.07 1wtg n LEU 41 CO 0.64 -0.32 0.62 0.00 -1.11 0.00 0.00 177.39 177.21 1wtg n GLY 43 N -0.59 2.06 3.75 0.00 0.00 0.59 -0.63 105.19 110.39 1wtg n GLY 43 Ca -0.07 -2.22 -0.01 0.00 0.00 0.00 0.00 46.02 43.72 1wtg n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wtg s GLY 44 N -4.22 -0.22 -0.07 -0.02 0.00 -0.72 -3.87 107.32 98.21 1wtg s GLY 44 Ca 0.49 0.22 0.01 0.00 0.00 0.00 0.00 44.72 45.44 1wtg s GLY 44 CO 0.31 0.99 -0.07 -1.59 0.00 0.00 0.00 173.10 172.74 1wtg s THR 45 N -2.67 0.82 0.06 0.90 2.01 0.45 -0.75 115.64 116.47 1wtg s THR 45 Ca 0.16 -0.25 -0.28 0.00 0.31 0.00 0.00 61.69 61.64 1wtg s THR 45 Cb 0.01 -0.81 -0.05 0.00 0.01 0.00 0.00 72.50 71.65 1wtg s THR 45 CO 0.01 0.30 0.87 -0.22 -0.69 0.00 0.00 174.62 174.89 1wtg s LEU 46 N 1.09 4.45 0.00 4.42 2.96 -0.38 0.10 118.68 131.33 1wtg s LEU 46 Ca -0.07 1.61 0.00 0.00 -0.22 0.00 0.00 54.13 55.45 1wtg s LEU 46 Cb -0.14 -3.42 0.00 0.00 0.50 0.00 0.00 46.19 43.13 1wtg s LEU 46 CO -0.01 -0.06 0.31 2.30 -1.32 0.00 0.00 176.35 177.57 1wtg n ILE 47 N 2.99 0.00 -3.81 6.68 -5.35 -0.73 -0.19 119.36 118.96 1wtg n ILE 47 Ca 0.01 -0.47 0.01 0.00 -0.27 0.00 0.00 62.75 62.03 1wtg n ILE 47 Cb 0.50 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.45 1wtg n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1wtg s ASN 48 N -0.31 -0.03 0.63 7.28 2.20 -1.24 -4.67 114.94 118.81 1wtg s ASN 48 Ca 0.00 -0.23 0.35 0.00 -0.94 0.00 0.00 52.86 52.04 1wtg s ASN 48 Cb 0.00 0.20 2.02 0.00 -2.00 0.00 0.00 41.25 41.48 1wtg s ASN 48 CO 0.00 -0.39 2.25 0.71 -2.94 0.00 0.00 177.10 176.73 1wtg h THR 49 N 2.00 0.27 0.00 0.54 1.35 -1.98 -3.19 112.91 111.91 1wtg h THR 49 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1wtg h THR 49 Cb 1.20 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1wtg h THR 49 CO 0.30 0.00 -1.12 -0.38 -0.25 0.00 0.00 175.52 174.07 1wtg n ILE 50 N -3.47 0.00 -4.74 6.82 5.41 -1.26 -1.48 119.36 120.63 1wtg n ILE 50 Ca -0.02 -0.17 -0.33 0.00 1.00 0.00 0.00 62.75 63.22 1wtg n ILE 50 Cb 0.14 0.46 -0.12 0.00 -0.71 0.00 0.00 39.64 39.41 1wtg n ILE 50 CO 0.00 0.00 0.00 0.26 0.00 0.00 0.00 176.55 176.81 1wtg s TRP 51 N -2.28 2.83 -0.06 1.39 0.52 -1.21 -0.70 118.94 119.43 1wtg s TRP 51 Ca -0.02 -0.08 0.03 0.00 0.02 0.00 0.00 56.10 56.05 1wtg s TRP 51 Cb 0.04 -1.68 0.00 0.00 -1.15 0.00 0.00 33.47 30.68 1wtg s TRP 51 CO 0.25 0.24 -0.15 0.08 0.02 0.00 0.00 176.95 177.39 1wtg s VAL 52 N -0.71 1.32 -0.23 4.03 1.01 -0.36 -1.77 120.40 123.69 1wtg s VAL 52 Ca 0.11 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 1wtg s VAL 52 Cb -0.11 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1wtg s VAL 52 CO 0.01 0.39 0.12 -0.69 0.00 0.00 0.00 175.10 174.93 1wtg s VAL 53 N 0.34 5.01 0.00 2.92 1.01 0.12 -0.28 120.40 129.51 1wtg s VAL 53 Ca -0.10 0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1wtg s VAL 53 Cb -0.14 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1wtg s VAL 53 CO 0.03 0.36 0.00 -0.24 0.00 0.00 0.00 175.10 175.26 1wtg n SER 54 N 4.29 0.66 -4.73 3.32 2.88 0.20 -0.41 113.62 119.84 1wtg n SER 54 Ca -0.16 -0.27 -0.35 0.00 -1.33 0.00 0.00 58.87 56.76 1wtg n SER 54 Cb 0.52 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.89 1wtg n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wtg s ALA 55 N -2.00 3.44 0.18 -1.46 0.00 -1.26 -1.16 121.76 119.51 1wtg s ALA 55 Ca 0.00 -0.76 -0.13 0.00 0.00 0.00 0.00 51.96 51.07 1wtg s ALA 55 Cb 0.00 -1.61 0.10 0.00 0.00 0.00 0.00 23.12 21.61 1wtg s ALA 55 CO 0.00 0.59 1.84 0.00 0.00 0.00 0.00 175.76 178.19 1wtg h ALA 56 N 5.14 0.75 0.00 0.00 0.00 -1.70 -2.72 119.26 120.73 1wtg h ALA 56 Ca -0.52 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1wtg h ALA 56 Cb 1.20 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1wtg h ALA 56 CO 0.56 0.15 0.00 -2.39 0.00 0.00 0.00 179.25 177.57 1wtg n HIS 57 N -4.70 0.64 0.30 0.00 1.44 -1.26 -1.57 115.22 110.07 1wtg n HIS 57 Ca 0.04 0.33 0.14 0.00 -2.01 0.00 0.00 57.72 56.23 1wtg n HIS 57 Cb 0.04 -1.03 0.67 0.00 0.12 0.00 0.00 29.99 29.79 1wtg n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1wtg n PHE 59 N -2.55 0.60 -0.22 0.00 3.72 -0.61 -4.69 117.46 113.71 1wtg n PHE 59 Ca 0.00 -0.58 -0.00 0.00 -0.05 0.00 0.00 57.45 56.82 1wtg n PHE 59 Cb 0.17 -0.09 0.11 0.00 -0.94 0.00 0.00 39.48 38.73 1wtg n PHE 59 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1wtg h ASP 60 N 2.08 0.41 -0.53 4.37 5.19 -1.64 -3.07 116.42 123.24 1wtg h ASP 60 Ca 0.00 0.06 -0.31 0.00 -0.62 0.00 0.00 57.03 56.15 1wtg h ASP 60 Cb 0.90 -0.01 -0.19 0.00 0.18 0.00 0.00 39.33 40.21 1wtg h ASP 60 CO 0.05 0.25 -0.01 0.29 -3.12 0.00 0.00 179.24 176.70 1wtg n LYS 60 N -4.88 2.17 -2.80 3.56 4.01 -1.26 -5.00 118.16 113.95 1wtg n LYS 60 Ca 0.09 -3.31 -0.41 0.00 -0.51 0.00 0.00 58.31 54.17 1wtg n LYS 60 Cb 0.24 -1.96 -0.04 0.00 -0.51 0.00 0.00 35.03 32.76 1wtg n LYS 60 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1wtg s ILE 60 N -3.58 4.85 -0.13 -0.18 -1.09 -1.16 -4.92 121.20 114.98 1wtg s ILE 60 Ca 0.49 1.90 -0.04 0.00 -2.23 0.00 0.00 60.65 60.76 1wtg s ILE 60 Cb 0.43 -4.25 -0.07 0.00 -1.58 0.00 0.00 42.46 36.99 1wtg s ILE 60 CO 0.01 0.22 -0.16 1.17 -1.23 0.00 0.00 174.94 174.95 1wtg n LYS 60 N 3.65 0.30 -3.08 2.79 4.81 -1.26 -4.83 118.16 120.54 1wtg n LYS 60 Ca 0.03 0.11 -0.45 0.00 -0.87 0.00 0.00 58.31 57.14 1wtg n LYS 60 Cb 0.51 -1.07 -0.01 0.00 0.02 0.00 0.00 35.03 34.48 1wtg n LYS 60 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1wtg s ASN 60 N -5.92 6.94 0.59 3.14 0.01 -1.26 -4.85 114.94 113.59 1wtg s ASN 60 Ca -0.19 -2.78 0.38 0.00 -0.71 0.00 0.00 52.86 49.57 1wtg s ASN 60 Cb 0.06 -2.33 1.89 0.00 0.41 0.00 0.00 41.25 41.28 1wtg s ASN 60 CO 0.26 -0.72 2.16 -0.50 -1.51 0.00 0.00 177.10 176.78 1wtg h TRP 61 N 7.66 0.00 -0.01 2.20 4.06 -2.01 -1.97 115.95 125.87 1wtg h TRP 61 Ca 0.21 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.16 1wtg h TRP 61 Cb 0.95 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.11 1wtg h TRP 61 CO 1.04 0.00 -0.02 0.54 -3.56 0.00 0.00 178.44 176.44 1wtg n ARG 62 N -3.01 1.36 -0.91 0.49 5.12 -1.26 -3.98 116.66 114.47 1wtg n ARG 62 Ca -0.01 -0.62 -0.08 0.00 -1.93 0.00 0.00 57.85 55.21 1wtg n ARG 62 Cb 0.17 -1.49 0.19 0.00 -1.16 0.00 0.00 32.46 30.18 1wtg n ARG 62 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1wtg n ASN 63 N -0.28 2.73 -4.72 0.55 3.02 -0.74 -4.95 115.26 110.87 1wtg n ASN 63 Ca 0.20 -3.77 -0.36 0.00 -0.03 0.00 0.00 54.58 50.61 1wtg n ASN 63 Cb 0.28 -0.67 -0.07 0.00 -0.61 0.00 0.00 39.78 38.71 1wtg n ASN 63 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wtg s LEU 64 N -3.28 4.22 0.00 3.41 1.43 -1.26 -1.63 118.68 121.57 1wtg s LEU 64 Ca 0.47 0.41 0.07 0.00 -1.03 0.00 0.00 54.13 54.05 1wtg s LEU 64 Cb 0.42 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 1wtg s LEU 64 CO 0.01 0.10 -0.20 -0.63 0.23 0.00 0.00 176.35 175.85 1wtg s ILE 65 N 0.58 1.61 -0.16 -0.59 -1.09 0.56 -1.06 121.20 121.04 1wtg s ILE 65 Ca 0.14 -0.96 -0.02 0.00 -2.23 0.00 0.00 60.65 57.59 1wtg s ILE 65 Cb -0.13 -1.36 -0.01 0.00 -1.58 0.00 0.00 42.46 39.38 1wtg s ILE 65 CO 0.03 0.38 -0.10 0.00 -1.23 0.00 0.00 174.94 174.03 1wtg s ALA 66 N -0.57 2.71 -0.16 9.38 0.00 0.23 -0.40 121.76 132.96 1wtg s ALA 66 Ca 0.08 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 1wtg s ALA 66 Cb -0.08 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.62 1wtg s ALA 66 CO -0.00 0.01 -0.11 0.08 0.00 0.00 0.00 175.76 175.74 1wtg s VAL 67 N 0.74 3.08 0.17 0.00 1.01 0.95 -0.97 120.40 125.38 1wtg s VAL 67 Ca -0.04 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.37 1wtg s VAL 67 Cb -0.15 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1wtg s VAL 67 CO 0.02 0.50 0.03 -0.76 0.00 0.00 0.00 175.10 174.89 1wtg s LEU 68 N 0.71 3.44 -0.25 3.92 1.02 0.12 -1.30 118.68 126.34 1wtg s LEU 68 Ca -0.05 -0.32 0.00 0.00 0.02 0.00 0.00 54.13 53.78 1wtg s LEU 68 Cb -0.15 -2.09 0.00 0.00 0.02 0.00 0.00 46.19 43.97 1wtg s LEU 68 CO 0.02 0.09 0.00 0.61 0.02 0.00 0.00 176.35 177.09 1wtg n GLY 69 N -0.13 0.55 3.82 -3.19 0.00 -1.26 -1.44 105.19 103.54 1wtg n GLY 69 Ca -0.09 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 1wtg n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wtg s GLU 70 N -1.34 2.93 0.25 1.61 0.41 -1.26 -4.17 118.70 117.14 1wtg s GLU 70 Ca 0.00 0.98 0.00 0.00 -0.41 0.00 0.00 54.97 55.54 1wtg s GLU 70 Cb 0.00 -1.99 0.00 0.00 -1.78 0.00 0.00 34.13 30.36 1wtg s GLU 70 CO 0.00 -1.11 0.00 1.58 -0.49 0.00 0.00 175.26 175.24 1wtg n HIS 71 N -3.09 -3.09 -3.74 1.61 -0.00 -1.26 -4.91 115.22 100.74 1wtg n HIS 71 Ca 0.08 0.75 -0.38 0.00 -0.00 0.00 0.00 57.72 58.17 1wtg n HIS 71 Cb 0.53 1.96 -0.12 0.00 -0.00 0.00 0.00 29.99 32.36 1wtg n HIS 71 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1wtg s ASP 72 N -2.61 5.34 0.00 0.26 -1.08 -1.26 -1.39 116.67 115.92 1wtg s ASP 72 Ca 0.00 -1.19 0.12 0.00 -0.52 0.00 0.00 52.55 50.96 1wtg s ASP 72 Cb 0.00 -1.87 0.68 0.00 -1.46 0.00 0.00 42.92 40.27 1wtg s ASP 72 CO 0.00 -0.35 1.16 0.18 0.52 0.00 0.00 175.17 176.68 1wtg n LEU 73 N 4.81 0.00 -0.53 -1.34 4.77 0.63 -2.50 117.00 122.85 1wtg n LEU 73 Ca -0.12 0.05 0.06 0.00 -0.03 0.00 0.00 56.01 55.96 1wtg n LEU 73 Cb 0.44 -0.05 0.08 0.00 -2.33 0.00 0.00 43.42 41.57 1wtg n LEU 73 CO 0.32 -0.03 0.49 -1.54 -1.33 0.00 0.00 177.39 175.30 1wtg n SER 74 N -1.05 2.23 -3.82 -1.43 3.41 -1.26 -4.98 113.62 106.73 1wtg n SER 74 Ca 0.08 -1.62 -0.13 0.00 -0.26 0.00 0.00 58.87 56.95 1wtg n SER 74 Cb 0.05 -0.06 -0.14 0.00 -0.26 0.00 0.00 64.21 63.80 1wtg n SER 74 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1wtg s GLU 75 N -0.99 0.07 -0.11 4.33 2.12 -1.04 -5.16 118.70 117.92 1wtg s GLU 75 Ca 0.17 0.16 -0.06 0.00 0.36 0.00 0.00 54.97 55.60 1wtg s GLU 75 Cb 0.11 -0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.43 1wtg s GLU 75 CO 0.15 -0.06 0.12 -1.01 -0.54 0.00 0.00 175.26 173.93 1wtg s HIS 76 N 0.36 3.53 0.24 5.30 3.76 -1.26 -4.71 115.29 122.51 1wtg s HIS 76 Ca -0.03 0.47 -0.04 0.00 -0.15 0.00 0.00 55.06 55.32 1wtg s HIS 76 Cb -0.04 -1.91 -0.02 0.00 1.11 0.00 0.00 32.58 31.72 1wtg s HIS 76 CO -0.01 0.69 0.28 0.16 -0.85 0.00 0.00 174.74 175.01 1wtg s ASP 77 N -1.07 0.30 0.00 1.40 1.47 -1.26 -5.05 116.67 112.46 1wtg s ASP 77 Ca 0.15 -1.31 0.12 0.00 1.18 0.00 0.00 52.55 52.70 1wtg s ASP 77 Cb -0.12 0.48 0.64 0.00 -0.34 0.00 0.00 42.92 43.58 1wtg s ASP 77 CO 0.05 -0.99 1.27 0.61 0.68 0.00 0.00 175.17 176.78 1wtg n GLY 78 N -0.36 -0.62 0.06 2.12 0.00 -1.26 -2.86 105.19 102.26 1wtg n GLY 78 Ca 0.01 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.11 1wtg n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wtg n ASP 79 N -1.22 0.36 -4.74 1.61 8.00 -1.26 -4.85 116.55 114.44 1wtg n ASP 79 Ca 0.07 -0.19 -0.40 0.00 0.71 0.00 0.00 54.79 54.97 1wtg n ASP 79 Cb 0.08 -0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 41.03 1wtg n ASP 79 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1wtg s GLU 80 N -2.76 4.68 -0.05 -1.24 2.02 -1.14 -4.14 118.70 116.08 1wtg s GLU 80 Ca 0.20 1.37 -0.01 0.00 0.02 0.00 0.00 54.97 56.54 1wtg s GLU 80 Cb 0.19 -3.34 0.03 0.00 0.10 0.00 0.00 34.13 31.10 1wtg s GLU 80 CO 0.55 0.32 0.02 -0.65 0.02 0.00 0.00 175.26 175.52 1wtg s GLN 81 N -0.35 0.32 -0.01 1.61 -0.21 -0.52 -4.98 119.66 115.52 1wtg s GLN 81 Ca 0.43 0.17 -0.00 0.00 0.02 0.00 0.00 55.36 55.98 1wtg s GLN 81 Cb -0.23 -0.67 -0.04 0.00 1.00 0.00 0.00 33.01 33.07 1wtg s GLN 81 CO 0.29 -0.25 0.06 -1.12 -2.12 0.00 0.00 175.29 172.15 1wtg s SER 82 N 1.67 5.54 -0.05 5.90 0.01 -1.26 -0.70 113.70 124.81 1wtg s SER 82 Ca -0.01 0.11 -0.04 0.00 1.31 0.00 0.00 55.95 57.33 1wtg s SER 82 Cb -0.13 -1.56 0.02 0.00 0.21 0.00 0.00 66.02 64.56 1wtg s SER 82 CO -0.03 0.28 0.13 -0.13 0.41 0.00 0.00 173.24 173.89 1wtg s ARG 83 N -1.67 0.14 0.37 12.44 1.81 -0.14 -4.99 118.95 126.91 1wtg s ARG 83 Ca 0.22 0.20 -0.26 0.00 -1.72 0.00 0.00 55.73 54.17 1wtg s ARG 83 Cb -0.12 0.04 -0.09 0.00 -0.45 0.00 0.00 34.95 34.33 1wtg s ARG 83 CO 0.13 -0.04 1.09 1.03 -0.68 0.00 0.00 175.30 176.83 1wtg s ARG 84 N 0.21 4.26 -0.38 3.54 0.52 -1.26 -0.60 118.95 125.24 1wtg s ARG 84 Ca -0.01 1.67 -0.23 0.00 -0.52 0.00 0.00 55.73 56.64 1wtg s ARG 84 Cb -0.02 -2.74 0.01 0.00 0.52 0.00 0.00 34.95 32.72 1wtg s ARG 84 CO -0.01 -0.09 0.76 0.08 0.02 0.00 0.00 175.30 176.06 1wtg s VAL 85 N -1.47 4.73 -0.47 3.52 1.01 -0.22 -0.95 120.40 126.55 1wtg s VAL 85 Ca 0.54 0.73 0.24 0.00 0.00 0.00 0.00 61.98 63.49 1wtg s VAL 85 Cb -0.27 -4.22 0.23 0.00 0.00 0.00 0.00 36.38 32.12 1wtg s VAL 85 CO 0.34 -0.49 1.49 0.00 0.00 0.00 0.00 175.10 176.43 1wtg h ALA 86 N 8.60 0.85 -1.88 5.51 0.00 -1.29 -3.45 119.26 127.60 1wtg h ALA 86 Ca -0.25 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1wtg h ALA 86 Cb 1.09 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.66 1wtg h ALA 86 CO 0.91 0.00 0.23 -1.14 0.00 0.00 0.00 179.25 179.25 1wtg s GLN 87 N -3.22 0.74 -0.24 0.00 0.74 -1.10 -4.47 119.66 112.10 1wtg s GLN 87 Ca 0.06 0.88 0.02 0.00 0.05 0.00 0.00 55.36 56.36 1wtg s GLN 87 Cb 0.08 0.36 0.06 0.00 1.10 0.00 0.00 33.01 34.61 1wtg s GLN 87 CO 0.69 -0.09 -0.08 0.08 -0.55 0.00 0.00 175.29 175.34 1wtg s VAL 88 N 0.34 1.77 -0.24 1.34 1.01 -0.16 -1.15 120.40 123.32 1wtg s VAL 88 Ca 0.01 -1.36 -0.08 0.00 0.00 0.00 0.00 61.98 60.55 1wtg s VAL 88 Cb -0.05 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 1wtg s VAL 88 CO -0.01 -0.05 0.09 -0.63 0.00 0.00 0.00 175.10 174.49 1wtg s ILE 89 N 1.29 4.58 0.01 2.22 1.01 0.46 -1.18 121.20 129.59 1wtg s ILE 89 Ca -0.07 -0.09 0.06 0.00 0.00 0.00 0.00 60.65 60.56 1wtg s ILE 89 Cb -0.19 -3.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.13 1wtg s ILE 89 CO -0.06 0.35 -0.19 -0.63 0.00 0.00 0.00 174.94 174.41 1wtg s ILE 90 N 1.33 1.55 0.47 2.92 1.01 -0.38 -0.76 121.20 127.33 1wtg s ILE 90 Ca 0.05 -0.94 -0.24 0.00 0.00 0.00 0.00 60.65 59.52 1wtg s ILE 90 Cb -0.15 -1.31 -0.08 0.00 0.01 0.00 0.00 42.46 40.94 1wtg s ILE 90 CO 0.04 0.34 1.35 -2.65 0.00 0.00 0.00 174.94 174.03 1wtg n PRO 91 N 2.35 1.99 0.30 2.79 -0.02 -1.26 -1.78 135.00 139.38 1wtg n PRO 91 Ca -0.16 0.71 0.18 0.00 -2.02 0.00 0.00 63.50 62.22 1wtg n PRO 91 Cb 0.53 -2.53 0.93 0.00 -0.02 0.00 0.00 33.50 32.41 1wtg n PRO 91 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1wtg h SER 92 N 1.99 0.00 0.80 2.55 0.02 -1.11 -2.24 113.55 115.56 1wtg h SER 92 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1wtg h SER 92 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1wtg h SER 92 CO 0.59 0.03 -0.12 0.35 -1.14 0.00 0.00 176.83 176.54 1wtg n THR 93 N -3.24 0.00 -2.62 -2.27 -2.24 -1.26 -4.86 114.28 97.79 1wtg n THR 93 Ca -0.02 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 1wtg n THR 93 Cb 0.19 -0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 68.07 1wtg n THR 93 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1wtg s TYR 94 N -2.92 3.72 -0.21 4.78 5.04 -0.84 -4.91 117.35 122.00 1wtg s TYR 94 Ca 0.16 1.71 -0.01 0.00 -2.44 0.00 0.00 57.07 56.49 1wtg s TYR 94 Cb 0.19 -3.16 0.01 0.00 0.35 0.00 0.00 41.96 39.35 1wtg s TYR 94 CO 0.56 -0.19 -0.12 0.08 -1.34 0.00 0.00 175.55 174.54 1wtg s VAL 95 N -0.25 2.65 0.33 3.14 1.01 -1.26 -4.99 120.40 121.02 1wtg s VAL 95 Ca 0.48 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 61.35 1wtg s VAL 95 Cb -0.27 -2.22 -0.13 0.00 0.00 0.00 0.00 36.38 33.76 1wtg s VAL 95 CO 0.33 0.41 0.86 -2.65 0.00 0.00 0.00 175.10 174.04 1wtg n PRO 96 N 4.68 1.04 0.00 2.72 -0.02 -1.26 -1.30 135.00 140.86 1wtg n PRO 96 Ca -0.19 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1wtg n PRO 96 Cb 0.49 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1wtg n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wtg n GLY 97 N 1.41 2.02 0.00 -1.23 0.00 -1.26 -5.01 105.19 101.12 1wtg n GLY 97 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1wtg n GLY 97 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wtg n THR 98 N -2.00 0.00 -0.00 2.61 -2.24 -0.42 -5.11 114.28 107.12 1wtg n THR 98 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1wtg n THR 98 Cb 0.00 -0.42 -0.01 0.00 -2.10 0.00 0.00 70.33 67.80 1wtg n THR 98 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wtg n THR 99 N -0.30 0.06 -2.18 4.28 -2.24 -1.26 -4.91 114.28 107.72 1wtg n THR 99 Ca 0.00 -0.06 -0.37 0.00 -2.27 0.00 0.00 64.05 61.35 1wtg n THR 99 Cb 0.00 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 1wtg n THR 99 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1wtg s ASN 100 N -2.68 5.96 -1.36 3.42 3.04 -1.26 -3.43 114.94 118.63 1wtg s ASN 100 Ca -0.01 2.36 -0.05 0.00 0.04 0.00 0.00 52.86 55.20 1wtg s ASN 100 Cb 0.01 -2.60 0.03 0.00 -1.54 0.00 0.00 41.25 37.14 1wtg s ASN 100 CO 0.08 -1.07 0.86 1.41 -3.04 0.00 0.00 177.10 175.34 1wtg n HIS 101 N -0.70 -2.15 -2.71 0.43 8.25 -1.26 -4.53 115.22 112.55 1wtg n HIS 101 Ca 0.08 0.89 -0.43 0.00 -0.26 0.00 0.00 57.72 58.00 1wtg n HIS 101 Cb 0.48 -4.42 0.00 0.00 1.12 0.00 0.00 29.99 27.17 1wtg n HIS 101 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1wtg n ASP 102 N -3.00 5.04 -3.73 0.41 2.03 -1.22 -4.68 116.55 111.40 1wtg n ASP 102 Ca -0.17 -2.95 -0.14 0.00 0.52 0.00 0.00 54.79 52.04 1wtg n ASP 102 Cb 0.62 -1.65 -0.09 0.00 -0.72 0.00 0.00 41.12 39.29 1wtg n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1wtg s ILE 103 N 2.70 0.03 -0.05 5.18 2.07 -1.26 -4.03 121.20 125.84 1wtg s ILE 103 Ca 0.48 -0.25 -0.04 0.00 -1.41 0.00 0.00 60.65 59.43 1wtg s ILE 103 Cb 0.01 -0.64 0.02 0.00 0.13 0.00 0.00 42.46 41.99 1wtg s ILE 103 CO 0.03 -0.14 0.13 0.00 -1.91 0.00 0.00 174.94 173.06 1wtg s ALA 104 N -0.74 -0.31 -0.25 1.50 0.00 -0.30 -3.70 121.76 117.96 1wtg s ALA 104 Ca -0.08 0.43 -0.05 0.00 0.00 0.00 0.00 51.96 52.25 1wtg s ALA 104 Cb -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1wtg s ALA 104 CO 0.03 -0.08 0.02 -1.17 0.00 0.00 0.00 175.76 174.56 1wtg s LEU 105 N 0.29 3.27 -0.14 0.00 2.96 0.06 -0.63 118.68 124.50 1wtg s LEU 105 Ca -0.02 -0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 53.44 1wtg s LEU 105 Cb -0.03 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 1wtg s LEU 105 CO -0.01 -0.06 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.17 1wtg s LEU 106 N 1.52 3.37 -0.21 -0.68 1.02 0.61 -0.40 118.68 123.90 1wtg s LEU 106 Ca 0.05 -0.05 -0.09 0.00 0.02 0.00 0.00 54.13 54.06 1wtg s LEU 106 Cb -0.15 -1.80 -0.05 0.00 0.02 0.00 0.00 46.19 44.21 1wtg s LEU 106 CO 0.00 0.22 0.12 -0.60 0.02 0.00 0.00 176.35 176.11 1wtg s ARG 107 N 0.05 4.06 0.20 1.70 3.52 -0.30 -1.23 118.95 126.94 1wtg s ARG 107 Ca 0.01 -0.29 -0.24 0.00 -0.13 0.00 0.00 55.73 55.09 1wtg s ARG 107 Cb -0.13 -3.41 -0.08 0.00 -1.56 0.00 0.00 34.95 29.77 1wtg s ARG 107 CO 0.02 0.17 0.77 -0.51 -0.81 0.00 0.00 175.30 174.95 1wtg s LEU 108 N 0.71 4.50 0.34 -0.88 1.43 0.12 -0.88 118.68 124.03 1wtg s LEU 108 Ca 0.06 1.59 0.07 0.00 -1.03 0.00 0.00 54.13 54.83 1wtg s LEU 108 Cb -0.13 -3.44 0.76 0.00 0.03 0.00 0.00 46.19 43.41 1wtg s LEU 108 CO 0.01 0.13 1.88 -0.74 0.23 0.00 0.00 176.35 177.87 1wtg h HIS 109 N 3.96 0.86 -3.74 0.29 -0.00 -1.38 -3.42 115.15 111.72 1wtg h HIS 109 Ca -0.47 0.02 -0.21 0.00 -0.00 0.00 0.00 60.37 59.71 1wtg h HIS 109 Cb 1.20 -0.27 -0.27 0.00 -0.00 0.00 0.00 27.41 28.07 1wtg h HIS 109 CO 0.64 0.36 -0.70 -1.14 -0.00 0.00 0.00 177.93 177.09 1wtg s GLN 110 N -5.72 0.08 0.61 5.26 2.00 -1.26 -5.03 119.66 115.59 1wtg s GLN 110 Ca -0.10 -0.09 -0.19 0.00 -2.00 0.00 0.00 55.36 52.98 1wtg s GLN 110 Cb 0.21 0.03 -0.03 0.00 0.80 0.00 0.00 33.01 34.03 1wtg s GLN 110 CO 0.79 -0.01 1.27 -1.25 -0.50 0.00 0.00 175.29 175.58 1wtg s PRO 111 N -0.26 2.82 0.58 1.67 0.04 -1.26 -4.92 135.00 133.67 1wtg s PRO 111 Ca -0.03 1.99 -0.05 0.00 0.04 0.00 0.00 61.00 62.95 1wtg s PRO 111 Cb -0.02 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.58 1wtg s PRO 111 CO -0.00 -1.37 0.88 0.14 0.04 0.00 0.00 177.00 176.69 1wtg s VAL 112 N -1.46 3.70 -0.11 -0.36 -7.23 -0.55 -5.01 120.40 109.38 1wtg s VAL 112 Ca 0.79 -0.04 -0.18 0.00 -1.81 0.00 0.00 61.98 60.74 1wtg s VAL 112 Cb -0.35 -3.46 -0.04 0.00 0.56 0.00 0.00 36.38 33.09 1wtg s VAL 112 CO 0.38 -0.46 0.47 -0.69 -0.31 0.00 0.00 175.10 174.49 1wtg s VAL 113 N -2.95 5.18 -0.01 1.32 1.01 -1.26 -4.85 120.40 118.84 1wtg s VAL 113 Ca 0.53 0.95 -0.30 0.00 0.00 0.00 0.00 61.98 63.16 1wtg s VAL 113 Cb -0.10 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1wtg s VAL 113 CO 0.44 0.33 1.04 -0.76 0.00 0.00 0.00 175.10 176.16 1wtg s LEU 114 N 0.57 4.35 0.00 3.92 1.43 -1.26 -4.78 118.68 122.91 1wtg s LEU 114 Ca 0.26 1.71 0.04 0.00 -1.03 0.00 0.00 54.13 55.11 1wtg s LEU 114 Cb -0.15 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.49 1wtg s LEU 114 CO 0.10 -0.35 0.15 0.35 0.23 0.00 0.00 176.35 176.84 1wtg n THR 115 N 4.04 0.00 0.29 5.49 -2.24 -0.61 -4.97 114.28 116.29 1wtg n THR 115 Ca 0.07 -1.23 0.17 0.00 -2.27 0.00 0.00 64.05 60.79 1wtg n THR 115 Cb 0.50 0.62 0.89 0.00 -2.10 0.00 0.00 70.33 70.24 1wtg n THR 115 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1wtg h ASP 116 N 1.05 0.00 -0.01 3.42 5.19 -2.00 -2.92 116.42 121.15 1wtg h ASP 116 Ca -0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 1wtg h ASP 116 Cb 0.62 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.13 1wtg h ASP 116 CO 0.18 0.04 -0.10 1.41 -3.12 0.00 0.00 179.24 177.64 1wtg n HIS 117 N -3.31 0.00 -3.64 4.55 8.25 -1.26 -4.86 115.22 114.95 1wtg n HIS 117 Ca -0.02 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.15 1wtg n HIS 117 Cb 0.19 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.15 1wtg n HIS 117 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1wtg s VAL 118 N -1.28 0.41 0.00 1.59 1.01 -1.10 -4.14 120.40 116.90 1wtg s VAL 118 Ca 0.13 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1wtg s VAL 118 Cb 0.10 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1wtg s VAL 118 CO 0.22 -0.69 -0.05 -0.69 0.00 0.00 0.00 175.10 173.89 1wtg s VAL 119 N 1.85 0.37 0.43 2.92 1.01 -1.05 -1.57 120.40 124.36 1wtg s VAL 119 Ca 0.09 -0.31 -0.19 0.00 0.00 0.00 0.00 61.98 61.57 1wtg s VAL 119 Cb -0.17 -0.34 -0.10 0.00 0.00 0.00 0.00 36.38 35.78 1wtg s VAL 119 CO -0.30 0.03 0.92 -2.16 0.00 0.00 0.00 175.10 173.58 1wtg s PRO 120 N -0.31 4.14 0.21 2.72 0.04 -1.26 -2.33 135.00 138.21 1wtg s PRO 120 Ca -0.00 1.00 -0.14 0.00 0.04 0.00 0.00 61.00 61.90 1wtg s PRO 120 Cb -0.03 -2.22 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 1wtg s PRO 120 CO -0.00 -0.04 0.61 -1.17 0.04 0.00 0.00 177.00 176.44 1wtg s LEU 121 N -3.31 4.26 0.15 -3.56 2.96 0.74 -4.91 118.68 115.00 1wtg s LEU 121 Ca 0.60 1.15 -0.30 0.00 -0.22 0.00 0.00 54.13 55.36 1wtg s LEU 121 Cb -0.09 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 42.98 1wtg s LEU 121 CO 0.17 0.00 1.07 0.00 -1.32 0.00 0.00 176.35 176.27 1wtg s LEU 123 N -0.12 4.30 0.82 0.00 2.96 -1.26 -0.61 118.68 124.78 1wtg s LEU 123 Ca 0.50 0.06 -0.12 0.00 -0.22 0.00 0.00 54.13 54.34 1wtg s LEU 123 Cb -0.28 -2.65 0.09 0.00 0.50 0.00 0.00 46.19 43.85 1wtg s LEU 123 CO 0.33 -0.50 1.16 -2.16 -1.32 0.00 0.00 176.35 173.86 1wtg s PRO 124 N 2.49 1.85 0.56 0.98 0.04 -1.26 -4.99 135.00 134.66 1wtg s PRO 124 Ca 0.21 0.19 -0.15 0.00 0.04 0.00 0.00 61.00 61.29 1wtg s PRO 124 Cb -0.15 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 1wtg s PRO 124 CO 0.13 -1.69 1.01 -1.21 0.04 0.00 0.00 177.00 175.28 1wtg s GLU 125 N -5.48 3.74 0.09 4.56 2.02 -1.26 -4.93 118.70 117.44 1wtg s GLU 125 Ca 0.62 0.95 -0.32 0.00 0.02 0.00 0.00 54.97 56.24 1wtg s GLU 125 Cb -0.12 -2.10 -0.14 0.00 0.10 0.00 0.00 34.13 31.86 1wtg s GLU 125 CO 0.50 -0.45 1.60 -0.09 0.02 0.00 0.00 175.26 176.85 1wtg h ARG 126 N 0.53 -0.79 -0.82 1.61 2.43 -1.97 -2.25 114.38 113.13 1wtg h ARG 126 Ca -0.46 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.75 1wtg h ARG 126 Cb 1.19 0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.88 1wtg h ARG 126 CO 0.61 -0.53 0.48 1.79 -1.51 0.00 0.00 179.97 180.81 1wtg h THR 127 N -0.82 1.23 -0.36 0.20 1.35 -1.94 -0.68 112.91 111.89 1wtg h THR 127 Ca -0.04 -0.53 0.04 0.00 -0.55 0.00 0.00 66.41 65.33 1wtg h THR 127 Cb 0.72 0.10 -0.04 0.00 -1.73 0.00 0.00 68.15 67.20 1wtg h THR 127 CO -0.05 0.25 0.11 0.15 -0.25 0.00 0.00 175.52 175.73 1wtg h PHE 128 N 1.13 0.20 -0.73 4.73 3.57 -1.95 0.16 116.94 124.04 1wtg h PHE 128 Ca 0.29 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.77 1wtg h PHE 128 Cb -0.02 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 1wtg h PHE 128 CO -0.00 0.08 0.30 1.03 -2.23 0.00 0.00 178.31 177.48 1wtg h SER 129 N 0.26 1.01 -0.04 0.41 0.87 -0.85 0.99 113.55 116.20 1wtg h SER 129 Ca 0.16 -0.17 -0.18 0.00 -1.23 0.00 0.00 61.79 60.37 1wtg h SER 129 Cb 0.15 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1wtg h SER 129 CO -0.18 0.91 -0.68 -0.33 -0.53 0.00 0.00 176.83 176.01 1wtg h GLU 129 N 1.05 0.53 0.00 2.24 5.08 -0.79 0.51 114.58 123.20 1wtg h GLU 129 Ca 0.24 -0.52 -0.12 0.00 -1.00 0.00 0.00 59.36 57.97 1wtg h GLU 129 Cb 0.21 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1wtg h GLU 129 CO -0.02 1.15 -0.87 -0.09 -1.00 0.00 0.00 179.01 178.18 1wtg h ARG 129 N 0.10 0.00 0.00 2.33 2.43 -0.70 -3.39 114.38 115.15 1wtg h ARG 129 Ca -0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1wtg h ARG 129 Cb 1.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 1wtg h ARG 129 CO 0.14 0.37 -0.09 2.41 -1.51 0.00 0.00 179.97 181.29 1wtg n THR 129 N -3.06 0.92 -0.23 0.20 -1.04 0.30 -4.80 114.28 106.57 1wtg n THR 129 Ca -0.02 0.31 0.03 0.00 -2.04 0.00 0.00 64.05 62.32 1wtg n THR 129 Cb 0.76 -1.40 0.27 0.00 -1.82 0.00 0.00 70.33 68.14 1wtg n THR 129 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1wtg h LEU 129 N 0.00 0.82 -1.34 -4.42 3.38 -1.37 -2.10 115.31 110.28 1wtg h LEU 129 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1wtg h LEU 129 Cb 0.09 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1wtg h LEU 129 CO 0.00 0.56 0.00 0.00 0.09 0.00 0.00 178.44 179.09 1wtg h ALA 129 N 1.55 1.00 -0.47 1.53 0.00 -1.09 -2.19 119.26 119.58 1wtg h ALA 129 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1wtg h ALA 129 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1wtg h ALA 129 CO -0.10 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.34 1wtg n PHE 129 N -2.36 0.63 -2.86 0.00 3.72 -0.79 -4.87 117.46 110.93 1wtg n PHE 129 Ca -0.00 -0.49 -0.42 0.00 -0.05 0.00 0.00 57.45 56.48 1wtg n PHE 129 Cb 0.11 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.59 1wtg n PHE 129 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1wtg s VAL 129 N -1.00 4.78 0.08 -4.37 1.01 -0.83 -4.97 120.40 115.10 1wtg s VAL 129 Ca 0.32 1.53 -0.25 0.00 0.00 0.00 0.00 61.98 63.57 1wtg s VAL 129 Cb 0.16 -4.17 -0.10 0.00 0.00 0.00 0.00 36.38 32.27 1wtg s VAL 129 CO 0.22 -0.17 1.40 -0.09 0.00 0.00 0.00 175.10 176.45 1wtg h ARG 134 N 7.82 -0.44 -5.88 2.72 9.65 -1.89 -3.44 114.38 122.92 1wtg h ARG 134 Ca -0.23 0.03 -0.63 0.00 -1.10 0.00 0.00 59.98 58.06 1wtg h ARG 134 Cb 1.09 0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 29.72 1wtg h ARG 134 CO 0.90 -0.29 -0.48 -0.06 2.80 0.00 0.00 179.97 182.85 1wtg s PHE 135 N -4.97 3.53 0.06 2.20 0.08 -1.26 -1.10 117.98 116.52 1wtg s PHE 135 Ca -0.11 0.34 -0.08 0.00 0.12 0.00 0.00 56.93 57.19 1wtg s PHE 135 Cb 0.05 -1.82 -0.00 0.00 -0.57 0.00 0.00 43.02 40.67 1wtg s PHE 135 CO 0.44 0.61 0.17 -1.12 -0.10 0.00 0.00 175.22 175.22 1wtg s SER 136 N -2.21 0.11 -0.12 1.36 0.01 -0.70 -4.59 113.70 107.57 1wtg s SER 136 Ca 0.32 -0.55 -0.10 0.00 1.31 0.00 0.00 55.95 56.93 1wtg s SER 136 Cb -0.13 0.30 -0.05 0.00 0.21 0.00 0.00 66.02 66.36 1wtg s SER 136 CO 0.23 -0.64 0.21 -0.76 0.41 0.00 0.00 173.24 172.69 1wtg s LEU 137 N -2.50 4.35 0.02 2.44 1.43 0.39 -1.18 118.68 123.64 1wtg s LEU 137 Ca 0.00 0.52 0.09 0.00 -1.03 0.00 0.00 54.13 53.71 1wtg s LEU 137 Cb 0.02 -2.20 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 1wtg s LEU 137 CO -0.08 0.31 -0.26 0.68 0.23 0.00 0.00 176.35 177.24 1wtg s VAL 138 N -0.60 2.08 0.17 -1.59 -7.23 -0.11 -0.13 120.40 112.99 1wtg s VAL 138 Ca 0.15 -1.27 -0.09 0.00 -1.81 0.00 0.00 61.98 58.97 1wtg s VAL 138 Cb -0.13 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 35.05 1wtg s VAL 138 CO 0.05 0.45 0.30 -0.94 -0.31 0.00 0.00 175.10 174.64 1wtg s SER 139 N -0.98 0.02 0.00 4.85 1.04 -1.19 -0.85 113.70 116.59 1wtg s SER 139 Ca 0.11 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1wtg s SER 139 Cb -0.10 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1wtg s SER 139 CO 0.01 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.93 1wtg n GLY 140 N -0.23 0.91 2.12 7.32 0.00 -0.62 -4.45 105.19 110.24 1wtg n GLY 140 Ca -0.07 -1.20 -0.16 0.00 0.00 0.00 0.00 46.02 44.59 1wtg n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wtg n TRP 141 N -1.01 2.77 -0.85 1.61 8.01 -1.26 -2.00 117.44 124.71 1wtg n TRP 141 Ca 0.00 -1.54 -0.13 0.00 -1.31 0.00 0.00 57.50 54.52 1wtg n TRP 141 Cb 0.00 -0.83 0.10 0.00 -2.01 0.00 0.00 31.31 28.58 1wtg n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1wtg n GLY 142 N -0.68 -2.36 3.77 6.99 0.00 -1.26 -1.94 105.19 109.72 1wtg n GLY 142 Ca 0.51 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 1wtg n GLY 142 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wtg s GLN 143 N -4.09 4.12 0.40 1.61 1.11 -1.26 -2.04 119.66 119.50 1wtg s GLN 143 Ca 0.31 2.56 0.23 0.00 0.01 0.00 0.00 55.36 58.47 1wtg s GLN 143 Cb -0.03 -2.98 0.30 0.00 -1.01 0.00 0.00 33.01 29.29 1wtg s GLN 143 CO 0.23 -0.54 1.52 -0.07 0.01 0.00 0.00 175.29 176.45 1wtg h LEU 144 N 3.32 0.00 -7.82 2.90 3.38 -1.64 0.28 115.31 115.73 1wtg h LEU 144 Ca -0.50 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.36 1wtg h LEU 144 Cb 1.24 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.82 1wtg h LEU 144 CO 0.67 0.00 -0.44 -0.76 0.09 0.00 0.00 178.44 178.00 1wtg s LEU 145 N -6.03 1.56 0.13 1.67 1.43 -1.26 -4.25 118.68 111.93 1wtg s LEU 145 Ca 0.06 -0.51 -0.31 0.00 -1.03 0.00 0.00 54.13 52.34 1wtg s LEU 145 Cb 0.06 0.83 -0.10 0.00 0.03 0.00 0.00 46.19 47.01 1wtg s LEU 145 CO 0.69 -0.58 1.69 -0.62 0.23 0.00 0.00 176.35 177.76 1wtg s ASP 146 N -2.30 6.51 -0.48 2.29 2.15 -1.26 -1.03 116.67 122.56 1wtg s ASP 146 Ca -0.02 2.66 0.00 0.00 0.43 0.00 0.00 52.55 55.62 1wtg s ASP 146 Cb 0.01 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 1wtg s ASP 146 CO -0.06 -0.92 0.00 0.54 -0.17 0.00 0.00 175.17 174.56 1wtg n ARG 147 N 4.95 -0.95 -0.68 4.34 1.74 -1.26 -4.99 116.66 119.80 1wtg n ARG 147 Ca 0.16 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 1wtg n ARG 147 Cb 0.38 -4.39 0.00 0.00 -1.02 0.00 0.00 32.46 27.44 1wtg n ARG 147 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wtg n GLY 149 N -1.17 1.86 3.86 -0.13 0.00 -0.20 -5.11 105.19 104.31 1wtg n GLY 149 Ca -0.04 -2.09 -0.31 0.00 0.00 0.00 0.00 46.02 43.57 1wtg n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wtg s ALA 150 N -2.04 3.19 0.80 4.61 0.00 -1.26 -4.82 121.76 122.25 1wtg s ALA 150 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.84 1wtg s ALA 150 Cb 0.00 -2.93 0.07 0.00 0.00 0.00 0.00 23.12 20.26 1wtg s ALA 150 CO 0.00 -0.16 1.12 0.95 0.00 0.00 0.00 175.76 177.67 1wtg s THR 151 N -2.54 2.70 0.16 0.00 -4.23 -1.26 -2.49 115.64 107.97 1wtg s THR 151 Ca 0.55 0.23 -0.13 0.00 -1.18 0.00 0.00 61.69 61.16 1wtg s THR 151 Cb -0.10 -3.09 -0.07 0.00 1.34 0.00 0.00 72.50 70.58 1wtg s THR 151 CO 0.32 -0.30 0.54 0.00 -0.54 0.00 0.00 174.62 174.65 1wtg s ALA 152 N -3.32 3.58 0.00 3.99 0.00 -0.82 -4.83 121.76 120.38 1wtg s ALA 152 Ca 0.61 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1wtg s ALA 152 Cb -0.13 -2.49 -0.26 0.00 0.00 0.00 0.00 23.12 20.24 1wtg s ALA 152 CO 0.52 0.47 0.86 -0.07 0.00 0.00 0.00 175.76 177.54 1wtg h LEU 153 N 3.35 0.28 -9.14 0.00 3.38 -1.93 -3.45 115.31 107.80 1wtg h LEU 153 Ca -0.48 -0.41 -0.68 0.00 0.09 0.00 0.00 57.88 56.40 1wtg h LEU 153 Cb 1.19 -0.09 -0.18 0.00 0.09 0.00 0.00 40.66 41.66 1wtg h LEU 153 CO 0.66 1.34 -0.72 -1.61 0.09 0.00 0.00 178.44 178.21 1wtg s GLU 154 N -2.62 2.52 0.09 1.13 2.02 -1.26 -0.27 118.70 120.31 1wtg s GLU 154 Ca -0.08 -0.73 -0.32 0.00 0.02 0.00 0.00 54.97 53.86 1wtg s GLU 154 Cb 0.07 -2.47 -0.11 0.00 0.10 0.00 0.00 34.13 31.72 1wtg s GLU 154 CO 0.84 0.60 1.80 -0.11 0.02 0.00 0.00 175.26 178.42 1wtg n LEU 155 N 1.68 3.75 -4.83 1.80 7.94 -0.49 -4.82 117.00 122.04 1wtg n LEU 155 Ca -0.16 1.00 -0.26 0.00 -1.11 0.00 0.00 56.01 55.48 1wtg n LEU 155 Cb 0.52 -1.49 -0.05 0.00 0.53 0.00 0.00 43.42 42.94 1wtg n LEU 155 CO 0.29 0.04 -0.19 -0.04 -1.11 0.00 0.00 177.39 176.39 1wtg s MET 156 N 2.71 3.02 0.02 1.96 -1.94 -0.85 -0.63 119.30 123.59 1wtg s MET 156 Ca 0.84 -0.83 -0.01 0.00 -1.71 0.00 0.00 55.69 53.98 1wtg s MET 156 Cb -0.56 -2.71 -0.02 0.00 2.01 0.00 0.00 34.83 33.56 1wtg s MET 156 CO 0.40 0.48 -0.01 0.54 -0.01 0.00 0.00 175.02 176.43 1wtg s VAL 157 N -1.78 0.11 -0.07 -6.03 0.11 0.39 -1.60 120.40 111.54 1wtg s VAL 157 Ca 0.32 -0.93 -0.08 0.00 -2.93 0.00 0.00 61.98 58.36 1wtg s VAL 157 Cb -0.10 -0.36 0.02 0.00 -1.53 0.00 0.00 36.38 34.41 1wtg s VAL 157 CO 0.25 -0.51 0.22 -0.22 -3.33 0.00 0.00 175.10 171.50 1wtg s LEU 158 N -1.54 1.18 -0.25 2.54 2.96 -0.03 -1.53 118.68 122.01 1wtg s LEU 158 Ca -0.14 0.37 -0.14 0.00 -0.22 0.00 0.00 54.13 54.00 1wtg s LEU 158 Cb -0.09 0.77 -0.04 0.00 0.50 0.00 0.00 46.19 47.33 1wtg s LEU 158 CO -0.01 -0.11 0.34 0.21 -1.32 0.00 0.00 176.35 175.45 1wtg s ASN 159 N -0.06 6.27 0.04 3.68 3.04 -1.26 -0.94 114.94 125.70 1wtg s ASN 159 Ca -0.02 0.31 0.06 0.00 0.04 0.00 0.00 52.86 53.25 1wtg s ASN 159 Cb -0.02 -2.20 -0.02 0.00 -1.54 0.00 0.00 41.25 37.47 1wtg s ASN 159 CO 0.01 -0.11 -0.17 0.68 -3.04 0.00 0.00 177.10 174.46 1wtg s VAL 160 N 1.72 1.34 0.16 -5.21 -7.23 -0.32 -4.94 120.40 105.92 1wtg s VAL 160 Ca 0.15 -1.05 -0.17 0.00 -1.81 0.00 0.00 61.98 59.10 1wtg s VAL 160 Cb -0.15 -1.18 -0.07 0.00 0.56 0.00 0.00 36.38 35.53 1wtg s VAL 160 CO 0.09 0.11 0.62 -2.16 -0.31 0.00 0.00 175.10 173.45 1wtg s PRO 161 N -1.08 4.13 0.25 4.82 0.04 -1.26 -1.72 135.00 140.18 1wtg s PRO 161 Ca 0.04 0.69 -0.08 0.00 0.04 0.00 0.00 61.00 61.69 1wtg s PRO 161 Cb -0.08 -2.98 -0.06 0.00 0.04 0.00 0.00 34.50 31.42 1wtg s PRO 161 CO 0.01 0.48 0.55 0.50 0.04 0.00 0.00 177.00 178.59 1wtg s ARG 162 N -1.79 3.74 0.02 4.56 3.52 -0.26 -0.85 118.95 127.89 1wtg s ARG 162 Ca 0.38 0.18 0.04 0.00 -0.13 0.00 0.00 55.73 56.20 1wtg s ARG 162 Cb -0.17 -2.64 -0.02 0.00 -1.56 0.00 0.00 34.95 30.57 1wtg s ARG 162 CO 0.20 0.27 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.32 1wtg s LEU 163 N -3.10 2.12 0.44 -0.88 1.02 -0.66 -4.96 118.68 112.64 1wtg s LEU 163 Ca 0.46 -0.36 -0.23 0.00 0.02 0.00 0.00 54.13 54.02 1wtg s LEU 163 Cb -0.11 -0.59 -0.08 0.00 0.02 0.00 0.00 46.19 45.43 1wtg s LEU 163 CO 0.25 0.07 1.11 -0.04 0.02 0.00 0.00 176.35 177.76 1wtg s MET 164 N -0.81 3.92 0.28 1.70 -1.94 -1.26 -4.03 119.30 117.17 1wtg s MET 164 Ca 0.02 1.64 0.03 0.00 -1.71 0.00 0.00 55.69 55.67 1wtg s MET 164 Cb -0.07 -2.44 0.63 0.00 2.01 0.00 0.00 34.83 34.96 1wtg s MET 164 CO 0.01 -0.38 1.78 1.15 -0.01 0.00 0.00 175.02 177.57 1wtg h THR 165 N 1.98 0.75 -0.46 2.05 2.02 -1.94 -1.01 112.91 116.30 1wtg h THR 165 Ca -0.49 -0.26 0.06 0.00 0.77 0.00 0.00 66.41 66.49 1wtg h THR 165 Cb 1.23 -0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.52 1wtg h THR 165 CO 0.61 0.14 0.16 -0.61 0.37 0.00 0.00 175.52 176.19 1wtg h GLN 166 N 0.75 0.32 -0.55 6.66 4.15 -2.00 -0.17 115.11 124.28 1wtg h GLN 166 Ca 0.52 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.84 1wtg h GLN 166 Cb 0.74 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.34 1wtg h GLN 166 CO -0.36 0.21 -0.01 -0.44 -1.93 0.00 0.00 178.83 176.31 1wtg h ASP 167 N 0.33 0.93 -0.29 -0.69 3.32 -1.62 -2.96 116.42 115.44 1wtg h ASP 167 Ca 0.21 -0.25 0.03 0.00 0.02 0.00 0.00 57.03 57.04 1wtg h ASP 167 Cb 0.21 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1wtg h ASP 167 CO -0.22 0.99 0.10 0.00 -1.72 0.00 0.00 179.24 178.39 1wtg n LEU 169 N -5.02 0.07 0.00 0.00 4.77 -0.18 -1.37 117.00 115.27 1wtg n LEU 169 Ca -0.01 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1wtg n LEU 169 Cb 0.10 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1wtg n LEU 169 CO 0.29 0.02 0.00 0.00 -1.33 0.00 0.00 177.39 176.36 1wtg n GLN 170 N 0.53 0.00 -3.99 3.23 6.02 0.42 -4.74 117.38 118.85 1wtg n GLN 170 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 1wtg n GLN 170 Cb 0.02 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.22 1wtg n GLN 170 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1wtg s SER 170 N 0.00 6.07 -0.01 1.08 0.01 -0.47 -4.83 113.70 115.54 1wtg s SER 170 Ca 0.00 0.26 -0.30 0.00 1.31 0.00 0.00 55.95 57.23 1wtg s SER 170 Cb 0.00 -1.84 -0.08 0.00 0.21 0.00 0.00 66.02 64.31 1wtg s SER 170 CO 0.00 0.27 1.89 -0.60 0.41 0.00 0.00 173.24 175.22 1wtg s ARG 170 N -1.80 4.07 0.02 12.44 3.52 -0.18 -4.89 118.95 132.13 1wtg s ARG 170 Ca 0.25 2.43 -0.30 0.00 -0.13 0.00 0.00 55.73 57.98 1wtg s ARG 170 Cb -0.12 -4.13 -0.08 0.00 -1.56 0.00 0.00 34.95 29.06 1wtg s ARG 170 CO 0.16 -1.02 1.87 0.21 -0.81 0.00 0.00 175.30 175.71 1wtg s LYS 170 N 4.50 4.15 0.02 5.12 2.36 -1.26 -4.97 119.74 129.66 1wtg s LYS 170 Ca 0.85 2.49 0.00 0.00 -2.55 0.00 0.00 55.97 56.76 1wtg s LYS 170 Cb -0.39 -4.07 0.00 0.00 -1.05 0.00 0.00 37.83 32.32 1wtg s LYS 170 CO 0.38 -0.91 0.01 1.33 1.55 0.00 0.00 175.35 177.70 1wtg n VAL 170 N 5.46 0.00 0.00 4.02 0.24 -1.26 -5.15 118.33 121.65 1wtg n VAL 170 Ca 0.19 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 1wtg n VAL 170 Cb 0.41 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.49 1wtg n VAL 170 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wtg n GLY 170 N 4.71 -1.45 2.60 7.63 0.00 -1.26 -4.77 105.19 112.65 1wtg n GLY 170 Ca -0.00 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 1wtg n GLY 170 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wtg n ASP 170 N 0.00 7.06 -4.91 1.61 8.00 -1.26 -4.97 116.55 122.08 1wtg n ASP 170 Ca 0.00 -3.08 -0.27 0.00 0.71 0.00 0.00 54.79 52.15 1wtg n ASP 170 Cb 0.00 -1.42 0.03 0.00 -0.02 0.00 0.00 41.12 39.71 1wtg n ASP 170 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1wtg s SER 170 N 0.71 5.57 0.41 -2.24 1.04 -1.26 -5.01 113.70 112.91 1wtg s SER 170 Ca 0.50 0.76 -0.25 0.00 0.48 0.00 0.00 55.95 57.45 1wtg s SER 170 Cb 0.15 -1.73 -0.11 0.00 0.10 0.00 0.00 66.02 64.44 1wtg s SER 170 CO -0.06 -1.10 1.03 -2.65 0.98 0.00 0.00 173.24 171.44 1wtg n PRO 170 N -2.64 1.41 -2.43 4.02 -0.02 -1.26 -4.97 135.00 129.11 1wtg n PRO 170 Ca 0.05 0.50 -0.31 0.00 -2.02 0.00 0.00 63.50 61.72 1wtg n PRO 170 Cb 0.58 -2.05 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 1wtg n PRO 170 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1wtg s ASN 175 N -0.70 6.49 -0.48 2.55 0.01 -1.26 -5.02 114.94 116.53 1wtg s ASN 175 Ca 0.62 1.37 -0.17 0.00 -0.71 0.00 0.00 52.86 53.97 1wtg s ASN 175 Cb -0.57 -2.43 0.06 0.00 0.41 0.00 0.00 41.25 38.73 1wtg s ASN 175 CO 0.57 -0.59 0.51 -0.63 -1.51 0.00 0.00 177.10 175.45 1wtg s ILE 176 N -2.68 5.04 0.54 0.60 1.01 -1.26 -4.98 121.20 119.48 1wtg s ILE 176 Ca 0.55 -0.72 -0.05 0.00 0.00 0.00 0.00 60.65 60.43 1wtg s ILE 176 Cb -0.10 -4.20 0.12 0.00 0.01 0.00 0.00 42.46 38.28 1wtg s ILE 176 CO 0.37 -0.68 0.74 0.35 0.00 0.00 0.00 174.94 175.72 1wtg n THR 177 N 5.43 0.00 0.86 2.92 -2.24 -1.26 -4.95 114.28 115.03 1wtg n THR 177 Ca -0.09 -0.82 0.11 0.00 -2.27 0.00 0.00 64.05 60.97 1wtg n THR 177 Cb 0.45 -1.37 0.50 0.00 -2.10 0.00 0.00 70.33 67.81 1wtg n THR 177 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1wtg n GLU 178 N -2.48 0.12 -0.66 -0.78 0.00 -1.26 -2.51 120.64 113.08 1wtg n GLU 178 Ca 0.11 0.11 0.08 0.00 0.00 0.00 0.00 57.16 57.46 1wtg n GLU 178 Cb 0.37 -1.50 0.35 0.00 0.00 0.00 0.00 31.44 30.66 1wtg n GLU 178 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1wtg n TYR 179 N -1.42 1.56 -4.15 -1.84 4.01 -1.26 -4.87 117.16 109.19 1wtg n TYR 179 Ca 0.07 -0.59 -0.11 0.00 -0.16 0.00 0.00 57.90 57.11 1wtg n TYR 179 Cb 0.22 -0.31 -0.09 0.00 -0.31 0.00 0.00 39.34 38.86 1wtg n TYR 179 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1wtg s MET 180 N -2.06 1.26 -0.11 -0.72 -1.94 -1.04 -0.63 119.30 114.05 1wtg s MET 180 Ca 0.49 -1.54 -0.29 0.00 -1.71 0.00 0.00 55.69 52.64 1wtg s MET 180 Cb 0.33 0.31 0.07 0.00 2.01 0.00 0.00 34.83 37.55 1wtg s MET 180 CO 0.21 -0.44 0.70 -0.59 -0.01 0.00 0.00 175.02 174.89 1wtg s PHE 181 N -4.12 -0.69 0.26 -0.03 -0.12 -0.60 -4.66 117.98 108.02 1wtg s PHE 181 Ca 0.35 1.34 -0.03 0.00 -0.05 0.00 0.00 56.93 58.54 1wtg s PHE 181 Cb 0.05 0.37 -0.05 0.00 -0.63 0.00 0.00 43.02 42.77 1wtg s PHE 181 CO 0.11 -0.54 0.50 0.00 -0.05 0.00 0.00 175.22 175.23 1wtg s ALA 183 N -2.03 -1.80 0.00 0.00 0.00 -0.74 -1.66 121.76 115.54 1wtg s ALA 183 Ca 0.42 1.63 0.00 0.00 0.00 0.00 0.00 51.96 54.00 1wtg s ALA 183 Cb -0.11 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.46 1wtg s ALA 183 CO 0.30 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1wtg n GLY 184 N 1.62 0.37 3.05 0.00 0.00 -0.03 -2.43 105.19 107.78 1wtg n GLY 184 Ca -0.16 -1.86 -0.14 0.00 0.00 0.00 0.00 46.02 43.86 1wtg n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wtg s TYR 184 N -1.36 0.68 -2.11 1.61 1.51 -1.24 -4.41 117.35 112.03 1wtg s TYR 184 Ca 0.00 -0.41 0.22 0.00 -1.01 0.00 0.00 57.07 55.86 1wtg s TYR 184 Cb 0.00 -0.41 0.50 0.00 -0.11 0.00 0.00 41.96 41.94 1wtg s TYR 184 CO 0.00 -0.06 1.43 -1.13 -1.11 0.00 0.00 175.55 174.69 1wtg n SER 185 N 1.75 3.61 -0.80 2.29 3.41 -1.26 -4.36 113.62 118.25 1wtg n SER 185 Ca -0.21 -1.98 0.09 0.00 -0.26 0.00 0.00 58.87 56.51 1wtg n SER 185 Cb 0.55 -0.34 0.25 0.00 -0.26 0.00 0.00 64.21 64.41 1wtg n SER 185 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1wtg n ASP 186 N 1.47 2.35 -0.23 4.04 5.68 -1.26 -0.25 116.55 128.36 1wtg n ASP 186 Ca 0.21 -1.92 -0.03 0.00 -0.50 0.00 0.00 54.79 52.55 1wtg n ASP 186 Cb 0.59 -0.24 -0.01 0.00 -1.14 0.00 0.00 41.12 40.32 1wtg n ASP 186 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wtg n GLY 187 N 1.24 0.61 0.12 6.12 0.00 -1.26 -4.79 105.19 107.23 1wtg n GLY 187 Ca 0.16 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 1wtg n GLY 187 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wtg n SER 188 N 0.99 1.39 -3.82 1.61 3.41 -1.26 -4.81 113.62 111.13 1wtg n SER 188 Ca -0.03 -0.08 -0.12 0.00 -0.26 0.00 0.00 58.87 58.38 1wtg n SER 188 Cb 0.12 -0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 63.93 1wtg n SER 188 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1wtg s LYS 188 N -2.51 0.16 0.00 4.33 1.02 -1.26 -3.96 119.74 117.51 1wtg s LYS 188 Ca -0.27 0.19 0.00 0.00 0.02 0.00 0.00 55.97 55.91 1wtg s LYS 188 Cb 0.08 0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 1wtg s LYS 188 CO 0.68 -0.02 0.00 -3.47 -0.92 0.00 0.00 175.35 171.62 1wtg n ASP 189 N 3.02 0.00 -4.34 2.83 2.03 -0.94 -3.71 116.55 115.45 1wtg n ASP 189 Ca -0.13 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 54.92 1wtg n ASP 189 Cb 0.59 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 41.15 1wtg n ASP 189 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1wtg s SER 190 N 0.00 3.59 0.31 1.67 1.04 -1.26 -0.63 113.70 118.41 1wtg s SER 190 Ca 0.00 -0.18 -0.01 0.00 0.48 0.00 0.00 55.95 56.25 1wtg s SER 190 Cb 0.00 0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 1wtg s SER 190 CO 0.00 -2.39 0.38 0.00 0.98 0.00 0.00 173.24 172.20 1wtg h LYS 192 N 2.21 -0.00 0.00 0.00 1.57 -1.93 0.13 116.57 118.55 1wtg h LYS 192 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1wtg h LYS 192 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1wtg h LYS 192 CO 0.40 -0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.69 1wtg n GLY 193 N -1.53 -1.01 0.10 3.86 0.00 -1.26 -1.69 105.19 103.66 1wtg n GLY 193 Ca 0.12 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.34 1wtg n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wtg n ASP 194 N -1.98 0.63 -4.49 1.61 8.00 0.46 -4.01 116.55 116.79 1wtg n ASP 194 Ca 0.01 -0.45 -0.50 0.00 0.71 0.00 0.00 54.79 54.56 1wtg n ASP 194 Cb 0.14 0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 41.30 1wtg n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1wtg n SER 195 N -1.13 -0.08 0.00 -2.24 7.64 -0.68 -0.99 113.62 116.14 1wtg n SER 195 Ca 0.09 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.12 1wtg n SER 195 Cb 0.33 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 1wtg n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wtg n GLY 196 N 1.79 3.17 3.62 0.23 0.00 -0.39 -0.30 105.19 113.32 1wtg n GLY 196 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1wtg n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wtg s GLY 197 N -1.77 1.60 0.45 -0.02 0.00 -0.16 -3.36 107.32 104.06 1wtg s GLY 197 Ca 0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 44.72 44.55 1wtg s GLY 197 CO 0.00 0.58 0.91 2.56 0.00 0.00 0.00 173.10 177.15 1wtg s PRO 198 N -4.71 4.01 -0.37 2.90 0.04 -1.26 -2.04 135.00 133.57 1wtg s PRO 198 Ca 0.66 0.90 0.03 0.00 0.04 0.00 0.00 61.00 62.63 1wtg s PRO 198 Cb -0.22 -2.22 0.11 0.00 0.04 0.00 0.00 34.50 32.21 1wtg s PRO 198 CO 0.60 -0.12 0.10 -1.58 0.04 0.00 0.00 177.00 176.05 1wtg s HIS 199 N -2.39 3.24 -0.16 0.56 2.46 -0.63 -3.19 115.29 115.17 1wtg s HIS 199 Ca 0.58 -2.80 -0.07 0.00 0.47 0.00 0.00 55.06 53.24 1wtg s HIS 199 Cb -0.10 -2.66 -0.04 0.00 -0.13 0.00 0.00 32.58 29.65 1wtg s HIS 199 CO 0.24 -0.89 0.08 0.00 -2.47 0.00 0.00 174.74 171.70 1wtg s ALA 200 N 0.78 3.53 -0.15 1.58 0.00 0.82 -1.97 121.76 126.34 1wtg s ALA 200 Ca 0.12 -0.72 -0.02 0.00 0.00 0.00 0.00 51.96 51.34 1wtg s ALA 200 Cb -0.20 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 20.97 1wtg s ALA 200 CO -0.09 0.30 -0.07 0.99 0.00 0.00 0.00 175.76 176.89 1wtg s THR 201 N -0.03 3.55 -0.24 0.00 2.01 0.03 -0.46 115.64 120.51 1wtg s THR 201 Ca 0.07 -0.48 -0.17 0.00 0.31 0.00 0.00 61.69 61.42 1wtg s THR 201 Cb -0.12 -2.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.82 1wtg s THR 201 CO 0.01 0.50 0.47 -2.28 -0.69 0.00 0.00 174.62 172.62 1wtg s HIS 202 N 0.42 3.31 -0.11 4.92 2.46 -1.26 -0.51 115.29 124.51 1wtg s HIS 202 Ca -0.06 0.62 -0.04 0.00 0.47 0.00 0.00 55.06 56.05 1wtg s HIS 202 Cb -0.15 -2.64 0.05 0.00 -0.13 0.00 0.00 32.58 29.71 1wtg s HIS 202 CO 0.04 -0.18 0.09 -0.47 -2.47 0.00 0.00 174.74 171.75 1wtg s TYR 203 N 1.91 0.07 -1.32 3.88 5.04 -0.00 -4.94 117.35 121.99 1wtg s TYR 203 Ca 0.20 0.04 -0.11 0.00 -2.44 0.00 0.00 57.07 54.76 1wtg s TYR 203 Cb -0.15 -0.54 0.00 0.00 0.35 0.00 0.00 41.96 41.62 1wtg s TYR 203 CO 0.09 -0.37 0.51 0.54 -1.34 0.00 0.00 175.55 174.98 1wtg n ARG 204 N 5.29 -2.00 -0.34 4.97 1.74 -1.26 -2.39 116.66 122.68 1wtg n ARG 204 Ca -0.05 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 1wtg n ARG 204 Cb 0.50 -4.01 0.00 0.00 -1.02 0.00 0.00 32.46 27.92 1wtg n ARG 204 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wtg n GLY 205 N -1.99 1.33 3.05 -0.13 0.00 -1.26 -5.04 105.19 101.15 1wtg n GLY 205 Ca -0.22 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 1wtg n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wtg s THR 206 N -2.97 0.70 -0.07 2.61 2.01 -1.01 -5.15 115.64 111.77 1wtg s THR 206 Ca 0.00 -0.66 -0.07 0.00 0.31 0.00 0.00 61.69 61.26 1wtg s THR 206 Cb 0.00 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.83 1wtg s THR 206 CO 0.00 -0.01 0.20 0.26 -0.69 0.00 0.00 174.62 174.38 1wtg s TRP 207 N -0.63 3.60 0.07 4.92 0.52 -1.26 -0.82 118.94 125.35 1wtg s TRP 207 Ca -0.01 0.57 0.04 0.00 0.02 0.00 0.00 56.10 56.72 1wtg s TRP 207 Cb -0.06 -1.97 -0.03 0.00 -1.15 0.00 0.00 33.47 30.26 1wtg s TRP 207 CO 0.00 0.69 -0.12 0.71 0.02 0.00 0.00 176.95 178.26 1wtg s TYR 208 N -1.13 1.08 -0.37 -1.98 1.51 0.33 -3.05 117.35 113.74 1wtg s TYR 208 Ca 0.20 -0.52 -0.26 0.00 -1.01 0.00 0.00 57.07 55.48 1wtg s TYR 208 Cb -0.13 -0.61 0.02 0.00 -0.11 0.00 0.00 41.96 41.13 1wtg s TYR 208 CO 0.09 0.02 0.94 -1.17 -1.11 0.00 0.00 175.55 174.33 1wtg s LEU 209 N -1.90 3.98 -0.01 -1.29 2.96 0.22 -0.79 118.68 121.85 1wtg s LEU 209 Ca -0.01 0.60 0.06 0.00 -0.22 0.00 0.00 54.13 54.56 1wtg s LEU 209 Cb -0.08 -3.29 -0.09 0.00 0.50 0.00 0.00 46.19 43.23 1wtg s LEU 209 CO 0.01 -0.87 0.13 0.35 -1.32 0.00 0.00 176.35 174.65 1wtg n THR 210 N 6.00 0.00 -3.94 3.68 -2.24 -0.83 -4.53 114.28 112.41 1wtg n THR 210 Ca 0.07 -0.14 -0.09 0.00 -2.27 0.00 0.00 64.05 61.63 1wtg n THR 210 Cb 0.48 0.39 -0.05 0.00 -2.10 0.00 0.00 70.33 69.05 1wtg n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1wtg s GLY 211 N -2.64 0.35 -0.06 3.38 0.00 -0.94 -2.74 107.32 104.67 1wtg s GLY 211 Ca -0.02 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.02 1wtg s GLY 211 CO 0.24 -0.49 -0.08 -0.42 0.00 0.00 0.00 173.10 172.35 1wtg s ILE 212 N -3.98 0.88 -0.15 0.90 1.01 -1.11 -1.61 121.20 117.14 1wtg s ILE 212 Ca 0.19 -0.31 -0.33 0.00 0.00 0.00 0.00 60.65 60.20 1wtg s ILE 212 Cb -0.02 -0.84 -0.10 0.00 0.01 0.00 0.00 42.46 41.51 1wtg s ILE 212 CO 0.07 0.30 2.00 0.52 0.00 0.00 0.00 174.94 177.84 1wtg n VAL 213 N 4.04 0.49 0.03 2.92 0.31 -0.86 -1.40 118.33 123.85 1wtg n VAL 213 Ca -0.22 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1wtg n VAL 213 Cb 0.51 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 1wtg n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1wtg n SER 214 N 8.17 0.66 -2.39 4.52 2.88 -1.08 -1.26 113.62 125.13 1wtg n SER 214 Ca 0.27 0.09 -0.08 0.00 -1.33 0.00 0.00 58.87 57.81 1wtg n SER 214 Cb 0.32 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1wtg n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1wtg n TRP 215 N -3.10 -1.67 0.00 0.66 4.27 -0.78 -4.95 117.44 111.88 1wtg n TRP 215 Ca 0.00 -1.54 0.00 0.00 -3.89 0.00 0.00 57.50 52.07 1wtg n TRP 215 Cb 0.00 0.57 0.00 0.00 -1.36 0.00 0.00 31.31 30.52 1wtg n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1wtg n GLY 216 N -0.41 2.69 3.57 -1.67 0.00 -1.26 -0.60 105.19 107.50 1wtg n GLY 216 Ca -0.04 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 1wtg n GLY 216 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wtg s GLN 217 N -2.00 3.31 2.49 1.61 0.74 -1.26 -4.80 119.66 119.75 1wtg s GLN 217 Ca 0.00 0.21 0.00 0.00 0.05 0.00 0.00 55.36 55.62 1wtg s GLN 217 Cb 0.00 -4.11 0.00 0.00 1.10 0.00 0.00 33.01 30.00 1wtg s GLN 217 CO 0.00 -1.94 0.00 0.41 -0.55 0.00 0.00 175.29 173.21 1wtg n GLY 219 N 5.24 -0.06 2.93 2.59 0.00 -1.26 -4.38 105.19 110.26 1wtg n GLY 219 Ca 0.09 -0.98 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 1wtg n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wtg n ALA 221 N 4.83 -1.85 -2.71 0.00 0.00 -1.26 -4.49 120.51 115.03 1wtg n ALA 221 Ca -0.14 0.03 -0.39 0.00 0.00 0.00 0.00 53.44 52.94 1wtg n ALA 221 Cb 0.50 -3.05 -0.05 0.00 0.00 0.00 0.00 19.45 16.85 1wtg n ALA 221 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wtg s THR 221 N -3.40 5.09 0.18 0.00 2.01 -1.26 -4.16 115.64 114.11 1wtg s THR 221 Ca 0.15 1.24 -0.33 0.00 0.31 0.00 0.00 61.69 63.05 1wtg s THR 221 Cb -0.07 -3.95 -0.14 0.00 0.01 0.00 0.00 72.50 68.35 1wtg s THR 221 CO 0.75 0.26 1.41 0.52 -0.69 0.00 0.00 174.62 176.87 1wtg n VAL 222 N 3.85 0.51 -0.81 3.82 0.31 -1.26 -1.06 118.33 123.68 1wtg n VAL 222 Ca -0.03 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1wtg n VAL 222 Cb 0.51 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 1wtg n VAL 222 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wtg n GLY 223 N 2.57 0.65 3.03 2.92 0.00 0.65 -4.91 105.19 110.10 1wtg n GLY 223 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 1wtg n GLY 223 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wtg s HIS 224 N -2.27 0.45 0.25 1.61 4.02 -0.23 -1.01 115.29 118.13 1wtg s HIS 224 Ca 0.00 -0.64 0.11 0.00 1.02 0.00 0.00 55.06 55.55 1wtg s HIS 224 Cb 0.00 -0.30 -0.05 0.00 -1.02 0.00 0.00 32.58 31.21 1wtg s HIS 224 CO 0.00 -0.19 -0.14 -0.06 1.02 0.00 0.00 174.74 175.37 1wtg s PHE 225 N -2.01 2.43 0.50 1.40 0.08 -1.26 -4.04 117.98 115.09 1wtg s PHE 225 Ca -0.09 -0.29 -0.19 0.00 0.12 0.00 0.00 56.93 56.48 1wtg s PHE 225 Cb -0.06 -1.09 -0.08 0.00 -0.57 0.00 0.00 43.02 41.22 1wtg s PHE 225 CO -0.02 0.64 1.02 0.20 -0.10 0.00 0.00 175.22 176.96 1wtg s GLY 226 N -3.37 2.38 -0.06 4.36 0.00 -1.02 -4.61 107.32 105.00 1wtg s GLY 226 Ca 0.29 0.50 0.06 0.00 0.00 0.00 0.00 44.72 45.56 1wtg s GLY 226 CO 0.16 0.81 -0.24 0.14 0.00 0.00 0.00 173.10 173.97 1wtg s VAL 227 N -2.15 2.15 0.08 1.40 1.01 0.23 -1.80 120.40 121.32 1wtg s VAL 227 Ca 0.65 -1.03 0.08 0.00 0.00 0.00 0.00 61.98 61.68 1wtg s VAL 227 Cb -0.15 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1wtg s VAL 227 CO 0.23 0.57 -0.21 -0.31 0.00 0.00 0.00 175.10 175.37 1wtg s TYR 228 N -0.13 1.84 0.16 5.22 1.51 -0.07 -1.86 117.35 124.03 1wtg s TYR 228 Ca -0.04 -0.40 -0.31 0.00 -1.01 0.00 0.00 57.07 55.31 1wtg s TYR 228 Cb -0.14 -1.05 -0.09 0.00 -0.11 0.00 0.00 41.96 40.57 1wtg s TYR 228 CO 0.04 0.16 1.49 0.99 -1.11 0.00 0.00 175.55 177.12 1wtg s THR 229 N -0.99 2.88 -0.99 -0.71 2.01 -0.50 -1.55 115.64 115.79 1wtg s THR 229 Ca 0.07 0.64 -0.22 0.00 0.31 0.00 0.00 61.69 62.49 1wtg s THR 229 Cb -0.09 -3.41 0.07 0.00 0.01 0.00 0.00 72.50 69.07 1wtg s THR 229 CO 0.03 0.06 1.36 -0.60 -0.69 0.00 0.00 174.62 174.78 1wtg s ARG 230 N 0.96 3.58 0.47 4.92 3.52 0.20 -2.73 118.95 129.86 1wtg s ARG 230 Ca 0.67 -1.25 0.25 0.00 -0.13 0.00 0.00 55.73 55.27 1wtg s ARG 230 Cb -0.41 -5.21 1.28 0.00 -1.56 0.00 0.00 34.95 29.05 1wtg s ARG 230 CO 0.32 -2.10 1.85 0.28 -0.81 0.00 0.00 175.30 174.84 1wtg h VAL 231 N 6.54 0.58 -0.55 7.11 2.07 -1.83 -2.17 116.25 128.00 1wtg h VAL 231 Ca 0.17 -0.07 0.14 0.00 0.82 0.00 0.00 66.70 67.76 1wtg h VAL 231 Cb 1.02 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1wtg h VAL 231 CO 1.35 0.04 0.39 0.77 0.02 0.00 0.00 177.57 180.13 1wtg h SER 232 N 0.21 0.10 0.84 0.57 4.64 -1.88 0.29 113.55 118.33 1wtg h SER 232 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1wtg h SER 232 Cb 1.53 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 1wtg h SER 232 CO -0.12 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 175.90 1wtg n GLN 233 N -4.41 0.19 -0.10 4.77 1.13 -0.82 -3.32 117.38 114.82 1wtg n GLN 233 Ca 0.10 0.37 0.03 0.00 -1.94 0.00 0.00 57.00 55.56 1wtg n GLN 233 Cb 0.55 -1.83 0.09 0.00 0.11 0.00 0.00 30.24 29.16 1wtg n GLN 233 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1wtg n TYR 234 N -2.18 0.27 0.11 1.08 4.01 0.08 -4.76 117.16 115.78 1wtg n TYR 234 Ca 0.03 -0.47 -0.13 0.00 -0.16 0.00 0.00 57.90 57.17 1wtg n TYR 234 Cb 0.26 -0.03 -0.06 0.00 -0.31 0.00 0.00 39.34 39.20 1wtg n TYR 234 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1wtg h ILE 235 N 1.24 0.46 -0.53 -0.72 1.08 -1.53 0.70 117.51 118.21 1wtg h ILE 235 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1wtg h ILE 235 Cb 0.62 0.46 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 1wtg h ILE 235 CO 0.00 0.00 0.34 -0.33 -0.69 0.00 0.00 178.15 177.47 1wtg h GLU 236 N -0.45 0.71 -0.37 2.37 5.08 -1.86 -1.16 114.58 118.90 1wtg h GLU 236 Ca 0.03 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1wtg h GLU 236 Cb 0.47 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1wtg h GLU 236 CO -0.13 0.50 0.10 2.35 -1.00 0.00 0.00 179.01 180.83 1wtg h TRP 237 N 0.72 0.18 0.17 4.33 7.01 -1.78 -1.79 115.95 124.80 1wtg h TRP 237 Ca 0.19 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 1wtg h TRP 237 Cb -0.05 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 26.99 1wtg h TRP 237 CO -0.03 0.06 -0.08 -0.07 -2.79 0.00 0.00 178.44 175.52 1wtg h LEU 238 N 0.24 -0.20 -0.86 0.65 3.38 -0.62 -2.72 115.31 115.19 1wtg h LEU 238 Ca 0.17 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1wtg h LEU 238 Cb 0.18 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 1wtg h LEU 238 CO -0.20 0.07 0.51 1.56 0.09 0.00 0.00 178.44 180.46 1wtg h GLN 239 N -0.46 0.83 -0.52 1.13 4.20 -1.08 -0.91 115.11 118.30 1wtg h GLN 239 Ca -0.02 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 1wtg h GLN 239 Cb 0.36 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1wtg h GLN 239 CO 0.04 0.55 0.10 -0.22 -0.67 0.00 0.00 178.83 178.63 1wtg h LYS 240 N 0.85 0.84 -0.35 1.46 3.64 -1.34 -2.99 116.57 118.68 1wtg h LYS 240 Ca 0.41 -0.22 -0.10 0.00 -1.27 0.00 0.00 60.65 59.47 1wtg h LYS 240 Cb 0.35 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1wtg h LYS 240 CO -0.24 0.82 -0.19 -0.07 -2.27 0.00 0.00 179.45 177.50 1wtg h LEU 241 N 0.73 0.66 -1.62 5.20 3.38 -1.06 -2.80 115.31 119.79 1wtg h LEU 241 Ca 0.16 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1wtg h LEU 241 Cb 0.37 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1wtg h LEU 241 CO 0.01 0.85 0.00 0.24 0.09 0.00 0.00 178.44 179.63 1wtg h MET 242 N 0.59 0.00 -0.01 1.13 2.86 -1.06 -2.11 114.93 116.32 1wtg h MET 242 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1wtg h MET 242 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1wtg h MET 242 CO 0.05 0.00 -0.28 0.54 1.06 0.00 0.00 176.91 178.27 1wtg n ARG 243 N -3.00 0.92 -2.73 1.72 1.74 -1.06 -4.95 116.66 109.29 1wtg n ARG 243 Ca 0.00 -0.58 -0.25 0.00 -0.77 0.00 0.00 57.85 56.25 1wtg n ARG 243 Cb 0.26 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.23 1wtg n ARG 243 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1wtg s SER 244 N -2.48 5.86 0.31 0.55 0.01 -0.80 -5.08 113.70 112.07 1wtg s SER 244 Ca 0.24 0.57 -0.20 0.00 1.31 0.00 0.00 55.95 57.87 1wtg s SER 244 Cb 0.19 -1.77 -0.09 0.00 0.21 0.00 0.00 66.02 64.56 1wtg s SER 244 CO 0.52 -0.78 0.82 -1.61 0.41 0.00 0.00 173.24 172.60 1wtg s GLU 245 N -4.73 4.24 0.76 12.44 2.02 -1.26 -5.05 118.70 127.12 1wtg s GLU 245 Ca 0.50 0.96 -0.13 0.00 0.02 0.00 0.00 54.97 56.31 1wtg s GLU 245 Cb -0.10 -2.59 0.05 0.00 0.10 0.00 0.00 34.13 31.59 1wtg s GLU 245 CO 0.42 0.21 1.15 -1.25 0.02 0.00 0.00 175.26 175.81 1wtg s PRO 246 N -2.53 2.09 0.24 0.39 0.04 -1.26 -5.05 135.00 128.92 1wtg s PRO 246 Ca 0.52 1.53 0.07 0.00 0.04 0.00 0.00 61.00 63.15 1wtg s PRO 246 Cb -0.14 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1wtg s PRO 246 CO 0.19 -1.82 0.22 1.03 0.04 0.00 0.00 177.00 176.65 1wtg s ARG 247 N -4.27 3.01 0.15 4.56 1.81 -1.26 -5.05 118.95 117.90 1wtg s ARG 247 Ca 0.69 -0.99 -0.23 0.00 -1.72 0.00 0.00 55.73 53.48 1wtg s ARG 247 Cb -0.24 -2.62 0.03 0.00 -0.45 0.00 0.00 34.95 31.67 1wtg s ARG 247 CO 0.49 0.41 1.62 -1.35 -0.68 0.00 0.00 175.30 175.79 1wtg h PRO 248 N 1.51 -0.26 -7.15 3.54 0.11 -1.98 -3.44 132.00 124.34 1wtg h PRO 248 Ca -0.49 0.02 -0.45 0.00 0.11 0.00 0.00 66.00 65.18 1wtg h PRO 248 Cb 1.23 0.06 0.07 0.00 0.11 0.00 0.00 31.00 32.47 1wtg h PRO 248 CO 0.61 -0.18 0.15 0.20 -0.21 0.00 0.00 178.00 178.57 1wtg s GLY 249 N -2.80 1.71 -0.04 -0.55 0.00 -1.26 -5.04 107.32 99.34 1wtg s GLY 249 Ca -0.15 -0.99 -0.21 0.00 0.00 0.00 0.00 44.72 43.37 1wtg s GLY 249 CO 0.68 -0.64 0.90 -2.08 0.00 0.00 0.00 173.10 171.96 1wtg h VAL 250 N -0.35 0.74 -3.30 1.40 2.07 -1.85 -3.45 116.25 111.51 1wtg h VAL 250 Ca -0.44 -0.99 -0.54 0.00 0.82 0.00 0.00 66.70 65.55 1wtg h VAL 250 Cb 1.30 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1wtg h VAL 250 CO 0.58 0.18 0.47 -0.22 0.02 0.00 0.00 177.57 178.60 1wtg s LEU 251 N -9.08 4.37 -0.03 2.57 2.96 -1.26 -0.98 118.68 117.22 1wtg s LEU 251 Ca -0.12 1.82 -0.00 0.00 -0.22 0.00 0.00 54.13 55.61 1wtg s LEU 251 Cb 0.01 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.15 1wtg s LEU 251 CO 0.46 -0.37 0.02 -0.22 -1.32 0.00 0.00 176.35 174.92 1wtg s LEU 252 N 1.08 0.99 -0.29 -0.68 2.96 -0.32 -4.95 118.68 117.47 1wtg s LEU 252 Ca 0.55 0.00 -0.09 0.00 -0.22 0.00 0.00 54.13 54.38 1wtg s LEU 252 Cb -0.25 -0.18 -0.01 0.00 0.50 0.00 0.00 46.19 46.25 1wtg s LEU 252 CO 0.28 -0.13 0.12 -0.13 -1.32 0.00 0.00 176.35 175.17 1wtg s ARG 253 N 1.22 3.44 -0.08 1.98 3.00 -1.26 -1.25 118.95 126.01 1wtg s ARG 253 Ca -0.07 -0.64 -0.02 0.00 0.00 0.00 0.00 55.73 55.00 1wtg s ARG 253 Cb -0.13 -3.48 -0.03 0.00 0.00 0.00 0.00 34.95 31.31 1wtg s ARG 253 CO -0.02 -0.34 0.03 0.00 0.00 0.00 0.00 175.30 174.97 1wtg s ALA 254 N 1.61 3.39 0.62 2.13 0.00 -0.73 -4.74 121.76 124.04 1wtg s ALA 254 Ca 0.05 -0.80 -0.19 0.00 0.00 0.00 0.00 51.96 51.02 1wtg s ALA 254 Cb -0.16 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.39 1wtg s ALA 254 CO 0.05 0.61 1.27 -1.25 0.00 0.00 0.00 175.76 176.44 1wtg s PRO 255 N -1.03 2.77 -0.02 0.00 0.04 -1.26 -0.55 135.00 134.96 1wtg s PRO 255 Ca 0.15 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1wtg s PRO 255 Cb -0.11 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.53 1wtg s PRO 255 CO 0.04 -1.41 0.02 0.12 0.04 0.00 0.00 177.00 175.80 1wtg s PHE 256 N -1.45 0.11 -1.67 0.56 5.36 -1.26 -4.78 117.98 114.86 1wtg s PHE 256 Ca 0.80 0.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.84 1wtg s PHE 256 Cb -0.35 -0.26 0.00 0.00 -0.34 0.00 0.00 43.02 42.07 1wtg s PHE 256 CO 0.38 -0.09 0.42 -2.30 -1.46 0.00 0.00 175.22 172.17