#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p2q n GLY 2 N 0.00 0.17 2.82 0.00 0.00 -0.36 -4.69 105.19 103.13 1p2q n GLY 2 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1p2q n GLY 2 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p2q s VAL 3 N -1.34 1.49 0.26 1.61 1.01 -1.26 -1.09 120.40 121.07 1p2q s VAL 3 Ca 0.00 -2.02 -0.30 0.00 0.00 0.00 0.00 61.98 59.67 1p2q s VAL 3 Cb 0.00 -2.09 -0.10 0.00 0.00 0.00 0.00 36.38 34.19 1p2q s VAL 3 CO 0.00 -0.71 1.35 -2.84 0.00 0.00 0.00 175.10 172.90 1p2q s PRO 4 N 1.05 4.35 0.38 2.72 0.02 -1.26 -4.90 135.00 137.35 1p2q s PRO 4 Ca 0.12 2.18 0.09 0.00 0.02 0.00 0.00 61.00 63.41 1p2q s PRO 4 Cb -0.20 -3.13 0.76 0.00 0.02 0.00 0.00 34.50 31.96 1p2q s PRO 4 CO -0.14 -0.27 1.92 0.00 -0.33 0.00 0.00 177.00 178.18 1p2q h ALA 5 N 4.61 1.50 -3.00 -1.55 0.00 -1.88 -3.36 119.26 115.57 1p2q h ALA 5 Ca -0.46 -0.19 -0.70 0.00 0.00 0.00 0.00 54.91 53.56 1p2q h ALA 5 Cb 1.22 -0.10 -0.27 0.00 0.00 0.00 0.00 17.79 18.65 1p2q h ALA 5 CO 0.73 0.36 -0.58 0.42 0.00 0.00 0.00 179.25 180.19 1p2q s ILE 6 N -4.80 4.12 0.18 0.00 1.01 -1.26 -5.07 121.20 115.38 1p2q s ILE 6 Ca -0.06 -0.92 -0.31 0.00 0.00 0.00 0.00 60.65 59.36 1p2q s ILE 6 Cb 0.15 -3.27 -0.10 0.00 0.01 0.00 0.00 42.46 39.26 1p2q s ILE 6 CO 0.74 -0.14 1.50 -1.10 0.00 0.00 0.00 174.94 175.94 1p2q s GLN 7 N 1.48 4.25 0.58 2.79 -1.52 -1.26 -4.23 119.66 121.74 1p2q s GLN 7 Ca 0.01 2.29 -0.16 0.00 -1.95 0.00 0.00 55.36 55.54 1p2q s GLN 7 Cb -0.19 -3.16 -0.04 0.00 -0.22 0.00 0.00 33.01 29.40 1p2q s GLN 7 CO 0.04 -0.52 1.06 -1.25 -0.25 0.00 0.00 175.29 174.37 1p2q s PRO 8 N 0.70 3.39 -0.23 2.91 0.04 -1.26 -4.91 135.00 135.64 1p2q s PRO 8 Ca 0.66 1.24 0.02 0.00 0.04 0.00 0.00 61.00 62.96 1p2q s PRO 8 Cb -0.42 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.13 1p2q s PRO 8 CO 0.34 -0.76 -0.11 0.08 0.04 0.00 0.00 177.00 176.60 1p2q s VAL 9 N -2.36 1.88 -0.11 -0.36 1.01 -1.26 -5.07 120.40 114.12 1p2q s VAL 9 Ca 0.64 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1p2q s VAL 9 Cb -0.16 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 1p2q s VAL 9 CO 0.34 0.09 -0.11 -0.76 0.00 0.00 0.00 175.10 174.66 1p2q s LEU 10 N 1.27 2.88 0.02 3.92 1.43 -1.26 -4.77 118.68 122.17 1p2q s LEU 10 Ca -0.04 -0.22 -0.28 0.00 -1.03 0.00 0.00 54.13 52.55 1p2q s LEU 10 Cb -0.18 -1.64 -0.16 0.00 0.03 0.00 0.00 46.19 44.24 1p2q s LEU 10 CO -0.07 0.23 1.19 0.28 0.23 0.00 0.00 176.35 178.21 1p2q h SER 11 N 6.26 -0.87 -0.92 2.29 0.02 -1.99 -3.53 113.55 114.81 1p2q h SER 11 Ca -0.33 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1p2q h SER 11 Cb 1.19 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.96 1p2q h SER 11 CO 0.56 -0.51 0.00 -0.38 -1.14 0.00 0.00 176.83 175.36 1p2q n ILE 16 N -5.40 -0.48 -3.20 3.27 5.41 0.14 -5.17 119.36 113.93 1p2q n ILE 16 Ca -0.13 0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.24 1p2q n ILE 16 Cb 0.40 -0.48 -0.05 0.00 -0.71 0.00 0.00 39.64 38.80 1p2q n ILE 16 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1p2q s VAL 17 N -0.08 5.05 -1.35 1.39 1.01 0.84 -3.98 120.40 123.29 1p2q s VAL 17 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1p2q s VAL 17 Cb 0.00 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1p2q s VAL 17 CO 0.00 0.34 0.00 0.59 0.00 0.00 0.00 175.10 176.03 1p2q n ASN 18 N 3.37 -4.53 -0.74 3.32 5.03 -1.26 -2.38 115.26 118.08 1p2q n ASN 18 Ca -0.05 0.13 0.00 0.00 0.87 0.00 0.00 54.58 55.53 1p2q n ASN 18 Cb 0.51 -3.53 0.00 0.00 -1.02 0.00 0.00 39.78 35.74 1p2q n ASN 18 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1p2q n GLY 19 N -1.09 1.41 3.22 7.41 0.00 -1.26 -4.80 105.19 110.08 1p2q n GLY 19 Ca -0.16 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 43.88 1p2q n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1p2q s GLU 20 N 2.54 0.89 0.30 1.61 -1.05 0.69 -4.93 118.70 118.75 1p2q s GLU 20 Ca 0.00 -1.02 -0.29 0.00 -0.15 0.00 0.00 54.97 53.51 1p2q s GLU 20 Cb 0.00 0.34 -0.10 0.00 -0.44 0.00 0.00 34.13 33.93 1p2q s GLU 20 CO 0.00 -0.29 1.32 -2.00 0.95 0.00 0.00 175.26 175.24 1p2q s GLU 21 N -3.89 4.36 0.35 -4.83 2.12 -1.26 -0.11 118.70 115.45 1p2q s GLU 21 Ca 0.08 2.19 -0.05 0.00 0.36 0.00 0.00 54.97 57.55 1p2q s GLU 21 Cb 0.05 -3.10 -0.05 0.00 0.26 0.00 0.00 34.13 31.29 1p2q s GLU 21 CO -0.09 -0.21 0.63 0.00 -0.54 0.00 0.00 175.26 175.05 1p2q s ALA 22 N -0.79 3.56 0.16 6.30 0.00 -0.51 -4.79 121.76 125.68 1p2q s ALA 22 Ca 0.51 -0.57 -0.31 0.00 0.00 0.00 0.00 51.96 51.60 1p2q s ALA 22 Cb -0.39 -2.38 -0.09 0.00 0.00 0.00 0.00 23.12 20.27 1p2q s ALA 22 CO 0.49 0.04 1.39 0.08 0.00 0.00 0.00 175.76 177.76 1p2q s VAL 23 N -2.30 3.13 -0.02 0.00 1.01 -1.26 -4.88 120.40 116.09 1p2q s VAL 23 Ca 0.45 0.85 -0.37 0.00 0.00 0.00 0.00 61.98 62.92 1p2q s VAL 23 Cb -0.10 -3.55 -0.15 0.00 0.00 0.00 0.00 36.38 32.58 1p2q s VAL 23 CO 0.34 0.09 1.57 -2.65 0.00 0.00 0.00 175.10 174.45 1p2q n PRO 24 N 3.45 1.50 -0.93 2.72 -0.02 -1.26 -1.55 135.00 138.91 1p2q n PRO 24 Ca 0.10 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1p2q n PRO 24 Cb 0.42 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1p2q n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p2q n GLY 25 N 3.39 0.51 0.00 -1.23 0.00 -1.26 -4.89 105.19 101.71 1p2q n GLY 25 Ca 0.21 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.36 1p2q n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p2q n SER 26 N -0.16 0.00 -3.22 1.61 3.41 -0.60 -3.52 113.62 111.15 1p2q n SER 26 Ca 0.00 -0.44 -0.24 0.00 -0.26 0.00 0.00 58.87 57.93 1p2q n SER 26 Cb 0.08 -0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 63.81 1p2q n SER 26 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1p2q n TRP 27 N -1.16 1.30 0.32 7.33 7.02 -1.26 -4.37 117.44 126.62 1p2q n TRP 27 Ca 0.16 -3.82 0.15 0.00 -1.02 0.00 0.00 57.50 52.97 1p2q n TRP 27 Cb 0.16 -0.43 0.78 0.00 -2.42 0.00 0.00 31.31 29.39 1p2q n TRP 27 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 1p2q h PRO 28 N 3.73 0.00 0.00 -0.99 0.13 -1.75 -1.18 132.00 131.94 1p2q h PRO 28 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1p2q h PRO 28 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1p2q h PRO 28 CO 0.61 0.00 -0.65 0.11 -0.23 0.00 0.00 178.00 177.84 1p2q h TRP 29 N 0.00 0.00 -2.70 1.56 0.09 -1.80 -2.52 115.95 110.57 1p2q h TRP 29 Ca 0.01 0.00 -0.54 0.00 0.09 0.00 0.00 58.89 58.45 1p2q h TRP 29 Cb 0.74 0.00 0.01 0.00 0.08 0.00 0.00 29.16 29.99 1p2q h TRP 29 CO 0.00 0.00 1.00 -1.14 0.09 0.00 0.00 178.44 178.39 1p2q s GLN 30 N -3.20 4.21 0.28 0.12 2.00 -0.45 -1.03 119.66 121.59 1p2q s GLN 30 Ca 0.05 2.22 0.10 0.00 -2.00 0.00 0.00 55.36 55.73 1p2q s GLN 30 Cb 0.12 -3.72 -0.05 0.00 0.80 0.00 0.00 33.01 30.16 1p2q s GLN 30 CO 0.73 -0.74 -0.14 0.14 -0.50 0.00 0.00 175.29 174.77 1p2q s VAL 31 N 3.05 2.18 -0.14 1.34 -7.23 -0.59 -4.42 120.40 114.59 1p2q s VAL 31 Ca 0.72 -2.28 -0.01 0.00 -1.81 0.00 0.00 61.98 58.59 1p2q s VAL 31 Cb -0.36 -2.37 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 1p2q s VAL 31 CO 0.30 -0.37 -0.11 -0.55 -0.31 0.00 0.00 175.10 174.07 1p2q s SER 32 N -3.49 4.19 -0.25 4.85 0.15 -0.37 -2.13 113.70 116.65 1p2q s SER 32 Ca 0.29 -0.28 -0.13 0.00 0.70 0.00 0.00 55.95 56.53 1p2q s SER 32 Cb -0.01 -1.65 -0.04 0.00 -1.71 0.00 0.00 66.02 62.60 1p2q s SER 32 CO 0.14 0.16 0.27 -0.76 1.20 0.00 0.00 173.24 174.25 1p2q s LEU 33 N 0.38 4.07 0.14 3.45 1.43 0.82 -0.60 118.68 128.37 1p2q s LEU 33 Ca -0.09 0.20 0.06 0.00 -1.03 0.00 0.00 54.13 53.27 1p2q s LEU 33 Cb -0.15 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 1p2q s LEU 33 CO 0.05 -0.06 -0.13 -1.10 0.23 0.00 0.00 176.35 175.34 1p2q s GLN 34 N 1.58 1.08 0.88 1.70 -0.21 -0.54 -1.44 119.66 122.71 1p2q s GLN 34 Ca 0.11 -1.34 -0.12 0.00 0.02 0.00 0.00 55.36 54.03 1p2q s GLN 34 Cb -0.15 -0.86 0.20 0.00 1.00 0.00 0.00 33.01 33.19 1p2q s GLN 34 CO 0.08 0.15 1.20 -0.40 -2.12 0.00 0.00 175.29 174.20 1p2q n ASP 35 N 0.21 0.43 0.31 5.90 5.68 -0.69 -0.39 116.55 128.01 1p2q n ASP 35 Ca -0.13 -1.64 0.17 0.00 -0.50 0.00 0.00 54.79 52.69 1p2q n ASP 35 Cb 0.58 -0.88 0.93 0.00 -1.14 0.00 0.00 41.12 40.61 1p2q n ASP 35 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1p2q h LYS 36 N 0.00 0.00 -0.00 0.11 2.10 -1.93 -0.87 116.57 115.98 1p2q h LYS 36 Ca -0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 1p2q h LYS 36 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1p2q h LYS 36 CO 0.31 0.00 -0.61 0.25 -2.00 0.00 0.00 179.45 177.39 1p2q n THR 37 N -2.86 0.00 0.00 0.07 -2.24 -1.26 -4.94 114.28 103.05 1p2q n THR 37 Ca -0.02 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1p2q n THR 37 Cb 0.23 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 1p2q n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p2q n GLY 38 N 1.47 1.01 3.64 3.38 0.00 -0.33 -5.06 105.19 109.29 1p2q n GLY 38 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1p2q n GLY 38 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1p2q s PHE 39 N -2.00 3.23 -0.12 1.61 5.36 -1.26 -4.79 117.98 120.01 1p2q s PHE 39 Ca 0.00 1.18 -0.29 0.00 -0.96 0.00 0.00 56.93 56.85 1p2q s PHE 39 Cb 0.00 -3.42 -0.03 0.00 -0.34 0.00 0.00 43.02 39.23 1p2q s PHE 39 CO 0.00 -0.61 1.36 -1.58 -1.46 0.00 0.00 175.22 172.93 1p2q s HIS 40 N 3.31 2.66 0.00 10.12 5.65 -1.26 -1.70 115.29 134.06 1p2q s HIS 40 Ca 0.41 0.81 0.00 0.00 0.25 0.00 0.00 55.06 56.53 1p2q s HIS 40 Cb -0.14 -3.61 0.00 0.00 -1.18 0.00 0.00 32.58 27.65 1p2q s HIS 40 CO 0.12 -2.25 0.00 1.97 -0.65 0.00 0.00 174.74 173.92 1p2q n PHE 41 N 6.54 0.00 -3.62 3.88 -1.74 -0.52 -5.00 117.46 116.99 1p2q n PHE 41 Ca 0.14 0.00 -0.07 0.00 -0.56 0.00 0.00 57.45 56.96 1p2q n PHE 41 Cb 0.44 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.43 1p2q n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1p2q s GLY 43 N -2.75 2.17 0.18 0.00 0.00 0.98 -0.12 107.32 107.77 1p2q s GLY 43 Ca 0.07 -1.49 -0.23 0.00 0.00 0.00 0.00 44.72 43.07 1p2q s GLY 43 CO -0.04 -1.88 0.99 -0.32 0.00 0.00 0.00 173.10 171.85 1p2q s GLY 44 N -4.44 -0.07 -0.04 0.20 0.00 -0.90 -3.58 107.32 98.48 1p2q s GLY 44 Ca 0.42 -0.09 0.01 0.00 0.00 0.00 0.00 44.72 45.06 1p2q s GLY 44 CO 0.27 0.93 -0.05 -0.56 0.00 0.00 0.00 173.10 173.68 1p2q s SER 45 N -3.13 0.96 0.10 1.64 0.01 -0.37 -1.54 113.70 111.36 1p2q s SER 45 Ca 0.16 -0.14 -0.30 0.00 1.31 0.00 0.00 55.95 56.98 1p2q s SER 45 Cb -0.02 -0.46 -0.06 0.00 0.21 0.00 0.00 66.02 65.69 1p2q s SER 45 CO 0.04 -0.05 1.15 -0.76 0.41 0.00 0.00 173.24 174.03 1p2q s LEU 46 N 0.87 4.41 0.00 2.44 1.43 -0.20 -0.66 118.68 126.97 1p2q s LEU 46 Ca -0.12 2.02 0.11 0.00 -1.03 0.00 0.00 54.13 55.12 1p2q s LEU 46 Cb -0.14 -3.59 -0.11 0.00 0.03 0.00 0.00 46.19 42.37 1p2q s LEU 46 CO 0.00 -0.37 0.50 2.30 0.23 0.00 0.00 176.35 179.02 1p2q n ILE 47 N 3.35 0.00 -3.93 -0.59 -5.35 -0.62 -1.50 119.36 110.73 1p2q n ILE 47 Ca 0.06 -0.24 0.01 0.00 -0.27 0.00 0.00 62.75 62.31 1p2q n ILE 47 Cb 0.47 1.01 0.01 0.00 -1.74 0.00 0.00 39.64 39.39 1p2q n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1p2q n ASN 48 N -1.18 -0.98 0.07 7.28 0.23 -1.24 -4.69 115.26 114.74 1p2q n ASN 48 Ca 0.02 -1.29 0.09 0.00 -0.53 0.00 0.00 54.58 52.88 1p2q n ASN 48 Cb 0.18 1.55 0.40 0.00 -2.08 0.00 0.00 39.78 39.83 1p2q n ASN 48 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1p2q n GLU 49 N -0.66 0.10 0.00 -3.83 4.71 -1.26 -3.48 120.64 116.21 1p2q n GLU 49 Ca 0.02 0.36 0.00 0.00 -0.01 0.00 0.00 57.16 57.53 1p2q n GLU 49 Cb 0.44 -1.70 -0.00 0.00 -1.01 0.00 0.00 31.44 29.17 1p2q n GLU 49 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1p2q n ASN 50 N -1.89 0.47 -4.05 1.62 3.02 -1.26 -0.47 115.26 112.70 1p2q n ASN 50 Ca 0.02 -0.73 -0.18 0.00 -0.03 0.00 0.00 54.58 53.66 1p2q n ASN 50 Cb 0.19 0.56 -0.14 0.00 -0.61 0.00 0.00 39.78 39.78 1p2q n ASN 50 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1p2q s TRP 51 N -0.61 0.87 -0.03 3.10 0.52 -1.23 -1.11 118.94 120.45 1p2q s TRP 51 Ca 0.00 -0.25 0.05 0.00 0.02 0.00 0.00 56.10 55.93 1p2q s TRP 51 Cb 0.00 -0.54 -0.01 0.00 -1.15 0.00 0.00 33.47 31.78 1p2q s TRP 51 CO 0.01 -0.01 -0.19 0.08 0.02 0.00 0.00 176.95 176.86 1p2q s VAL 52 N -0.53 1.57 -0.13 4.03 1.01 -0.23 -1.59 120.40 124.53 1p2q s VAL 52 Ca 0.01 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 1p2q s VAL 52 Cb -0.05 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1p2q s VAL 52 CO 0.00 0.45 -0.02 0.54 0.00 0.00 0.00 175.10 176.07 1p2q s VAL 53 N -0.24 4.12 0.00 2.92 0.11 0.16 0.09 120.40 127.55 1p2q s VAL 53 Ca 0.02 -0.29 0.00 0.00 -2.93 0.00 0.00 61.98 58.78 1p2q s VAL 53 Cb -0.10 -2.78 0.00 0.00 -1.53 0.00 0.00 36.38 31.97 1p2q s VAL 53 CO 0.01 0.53 0.00 1.07 -3.33 0.00 0.00 175.10 173.38 1p2q n THR 54 N 3.04 0.00 -3.35 5.04 5.66 -0.04 -1.24 114.28 123.40 1p2q n THR 54 Ca -0.18 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.49 1p2q n THR 54 Cb 0.53 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.25 1p2q n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1p2q s ALA 55 N -1.71 3.54 0.24 1.79 0.00 -1.26 -1.04 121.76 123.32 1p2q s ALA 55 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 51.96 51.77 1p2q s ALA 55 Cb 0.00 -2.52 0.27 0.00 0.00 0.00 0.00 23.12 20.87 1p2q s ALA 55 CO 0.00 0.46 1.67 0.00 0.00 0.00 0.00 175.76 177.89 1p2q h ALA 56 N 2.95 0.97 0.00 0.00 0.00 -1.73 -2.87 119.26 118.57 1p2q h ALA 56 Ca -0.48 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1p2q h ALA 56 Cb 1.18 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1p2q h ALA 56 CO 0.67 0.60 0.00 -2.39 0.00 0.00 0.00 179.25 178.14 1p2q n HIS 57 N -4.12 0.19 0.29 0.00 1.44 -1.26 -2.16 115.22 109.59 1p2q n HIS 57 Ca 0.00 0.08 0.18 0.00 -2.01 0.00 0.00 57.72 55.97 1p2q n HIS 57 Cb 0.41 -0.63 0.80 0.00 0.12 0.00 0.00 29.99 30.70 1p2q n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1p2q n GLY 59 N -0.22 -0.52 3.76 0.00 0.00 -0.92 -4.94 105.19 102.34 1p2q n GLY 59 Ca -0.00 0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1p2q n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p2q s VAL 60 N -3.26 2.19 0.35 1.61 1.01 -1.26 -5.04 120.40 116.00 1p2q s VAL 60 Ca 0.55 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.74 1p2q s VAL 60 Cb -0.26 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 1p2q s VAL 60 CO 0.69 0.02 0.08 0.42 0.00 0.00 0.00 175.10 176.30 1p2q s THR 61 N -1.24 1.00 -1.53 3.92 -4.23 -1.26 -4.96 115.64 107.35 1p2q s THR 61 Ca 0.62 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.28 1p2q s THR 61 Cb -0.42 -2.65 0.30 0.00 1.34 0.00 0.00 72.50 71.07 1p2q s THR 61 CO 0.53 0.00 1.41 0.35 -0.54 0.00 0.00 174.62 176.37 1p2q n THR 62 N -0.75 0.47 0.22 3.99 -2.24 -1.26 -1.75 114.28 112.96 1p2q n THR 62 Ca -0.04 0.12 0.12 0.00 -2.27 0.00 0.00 64.05 61.98 1p2q n THR 62 Cb 0.66 -0.87 0.10 0.00 -2.10 0.00 0.00 70.33 68.12 1p2q n THR 62 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1p2q h SER 63 N 0.00 0.00 -3.92 3.42 0.87 -1.95 -3.41 113.55 108.56 1p2q h SER 63 Ca 0.00 -0.02 -0.47 0.00 -1.23 0.00 0.00 61.79 60.07 1p2q h SER 63 Cb 0.12 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 62.15 1p2q h SER 63 CO 0.00 0.01 0.26 -1.81 -0.53 0.00 0.00 176.83 174.76 1p2q s ASP 64 N -5.49 5.12 0.10 6.23 1.01 -0.72 -4.06 116.67 118.87 1p2q s ASP 64 Ca 0.03 0.67 0.06 0.00 0.71 0.00 0.00 52.55 54.02 1p2q s ASP 64 Cb 0.09 -1.44 -0.03 0.00 1.01 0.00 0.00 42.92 42.54 1p2q s ASP 64 CO 0.73 -1.42 -0.15 0.68 0.21 0.00 0.00 175.17 175.22 1p2q s VAL 65 N -3.22 1.32 -0.24 -1.27 -7.23 0.48 -4.08 120.40 106.16 1p2q s VAL 65 Ca 0.58 -1.55 -0.10 0.00 -1.81 0.00 0.00 61.98 59.10 1p2q s VAL 65 Cb -0.11 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.41 1p2q s VAL 65 CO 0.46 -0.30 0.14 -0.69 -0.31 0.00 0.00 175.10 174.40 1p2q s VAL 66 N -1.70 5.08 -0.32 1.32 1.01 0.18 -1.47 120.40 124.50 1p2q s VAL 66 Ca 0.05 0.08 -0.07 0.00 0.00 0.00 0.00 61.98 62.05 1p2q s VAL 66 Cb -0.07 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 32.96 1p2q s VAL 66 CO 0.03 0.34 0.09 -0.69 0.00 0.00 0.00 175.10 174.87 1p2q s VAL 67 N 1.23 3.86 0.16 2.92 1.01 0.23 0.32 120.40 130.12 1p2q s VAL 67 Ca 0.06 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.16 1p2q s VAL 67 Cb -0.14 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1p2q s VAL 67 CO 0.05 -0.06 0.11 0.00 0.00 0.00 0.00 175.10 175.20 1p2q s ALA 68 N 1.45 3.51 -0.52 5.51 0.00 -0.31 -1.23 121.76 130.15 1p2q s ALA 68 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1p2q s ALA 68 Cb -0.18 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.63 1p2q s ALA 68 CO 0.03 0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.71 1p2q n GLY 69 N -0.26 0.76 3.88 0.00 0.00 -1.26 -1.48 105.19 106.83 1p2q n GLY 69 Ca -0.09 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 1p2q n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p2q s GLU 70 N -2.28 3.72 0.20 1.61 2.12 -1.26 -4.70 118.70 118.11 1p2q s GLU 70 Ca 0.00 0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.44 1p2q s GLU 70 Cb 0.00 -2.83 0.00 0.00 0.26 0.00 0.00 34.13 31.56 1p2q s GLU 70 CO 0.00 0.45 0.00 0.34 -0.54 0.00 0.00 175.26 175.51 1p2q n PHE 71 N 0.25 -1.37 -3.50 5.30 7.35 -1.26 -4.80 117.46 119.44 1p2q n PHE 71 Ca -0.03 0.24 -0.42 0.00 -0.76 0.00 0.00 57.45 56.48 1p2q n PHE 71 Cb 0.52 0.33 -0.08 0.00 0.35 0.00 0.00 39.48 40.60 1p2q n PHE 71 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1p2q s ASP 72 N -5.41 5.84 0.12 -2.13 -1.08 -1.26 -1.24 116.67 111.52 1p2q s ASP 72 Ca 0.00 -1.69 0.18 0.00 -0.52 0.00 0.00 52.55 50.52 1p2q s ASP 72 Cb 0.00 -2.07 0.76 0.00 -1.46 0.00 0.00 42.92 40.15 1p2q s ASP 72 CO 0.00 -0.68 1.55 0.00 0.52 0.00 0.00 175.17 176.56 1p2q n GLN 73 N 5.02 0.09 0.00 4.34 6.02 0.67 -1.70 117.38 131.81 1p2q n GLN 73 Ca -0.10 0.36 0.13 0.00 -0.01 0.00 0.00 57.00 57.38 1p2q n GLN 73 Cb 0.42 -1.68 0.36 0.00 1.02 0.00 0.00 30.24 30.36 1p2q n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1p2q n GLY 74 N -0.18 -0.81 3.52 1.08 0.00 -1.26 -4.78 105.19 102.77 1p2q n GLY 74 Ca 0.02 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1p2q n GLY 74 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p2q s SER 75 N -2.63 6.28 0.40 1.61 0.15 -0.69 -4.93 113.70 113.89 1p2q s SER 75 Ca 0.21 -0.31 0.22 0.00 0.70 0.00 0.00 55.95 56.77 1p2q s SER 75 Cb 0.19 -2.27 0.46 0.00 -1.71 0.00 0.00 66.02 62.69 1p2q s SER 75 CO 0.56 -0.60 1.64 0.77 1.20 0.00 0.00 173.24 176.81 1p2q h SER 76 N 8.66 0.00 1.03 5.45 4.64 -1.86 -3.24 113.55 128.23 1p2q h SER 76 Ca -0.27 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.92 1p2q h SER 76 Cb 1.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 1p2q h SER 76 CO 0.81 0.20 -1.03 0.77 -0.87 0.00 0.00 176.83 176.70 1p2q h SER 77 N 0.00 0.00 -2.00 4.97 4.64 -1.96 -3.47 113.55 115.73 1p2q h SER 77 Ca -0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 1p2q h SER 77 Cb 1.03 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.19 1p2q h SER 77 CO 0.03 0.52 0.41 1.21 -0.87 0.00 0.00 176.83 178.12 1p2q n GLU 78 N -3.01 1.36 -2.63 4.77 2.13 -1.23 -4.89 120.64 117.15 1p2q n GLU 78 Ca -0.05 0.49 -0.42 0.00 0.66 0.00 0.00 57.16 57.84 1p2q n GLU 78 Cb 0.78 -2.07 -0.03 0.00 0.27 0.00 0.00 31.44 30.40 1p2q n GLU 78 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1p2q s LYS 79 N -0.05 4.43 0.29 5.31 1.02 -1.26 -5.02 119.74 124.47 1p2q s LYS 79 Ca 0.76 1.48 0.01 0.00 0.02 0.00 0.00 55.97 58.24 1p2q s LYS 79 Cb -0.84 -3.52 -0.02 0.00 -0.52 0.00 0.00 37.83 32.93 1p2q s LYS 79 CO 0.49 -0.29 0.29 0.96 -0.92 0.00 0.00 175.35 175.88 1p2q s ILE 80 N 1.82 0.00 -0.23 2.17 -4.36 -1.26 -4.74 121.20 114.59 1p2q s ILE 80 Ca 0.51 -1.87 0.02 0.00 -0.26 0.00 0.00 60.65 59.05 1p2q s ILE 80 Cb -0.21 -2.51 0.05 0.00 1.25 0.00 0.00 42.46 41.04 1p2q s ILE 80 CO 0.21 0.00 -0.12 -1.10 0.24 0.00 0.00 174.94 174.17 1p2q s GLN 81 N -3.61 2.28 -0.53 0.37 -0.21 -0.55 -4.99 119.66 112.42 1p2q s GLN 81 Ca 0.37 -1.15 -0.20 0.00 0.02 0.00 0.00 55.36 54.39 1p2q s GLN 81 Cb 0.03 -2.74 0.06 0.00 1.00 0.00 0.00 33.01 31.36 1p2q s GLN 81 CO 0.20 -0.49 0.72 0.15 -2.12 0.00 0.00 175.29 173.75 1p2q s LYS 82 N 1.20 3.16 -0.20 2.91 1.02 -1.26 -1.16 119.74 125.41 1p2q s LYS 82 Ca -0.05 -0.78 -0.08 0.00 0.02 0.00 0.00 55.97 55.08 1p2q s LYS 82 Cb -0.18 -4.10 -0.04 0.00 -0.52 0.00 0.00 37.83 32.98 1p2q s LYS 82 CO -0.07 -1.33 0.09 -0.51 -0.92 0.00 0.00 175.35 172.62 1p2q s LEU 83 N 2.99 3.89 0.53 3.17 1.43 0.15 -4.94 118.68 125.89 1p2q s LEU 83 Ca 0.19 0.08 -0.18 0.00 -1.03 0.00 0.00 54.13 53.18 1p2q s LEU 83 Cb -0.18 -2.01 -0.07 0.00 0.03 0.00 0.00 46.19 43.97 1p2q s LEU 83 CO 0.13 0.13 1.04 -0.54 0.23 0.00 0.00 176.35 177.34 1p2q s LYS 84 N 0.65 3.63 -0.25 1.70 1.02 -1.26 -0.65 119.74 124.58 1p2q s LYS 84 Ca 0.05 1.28 -0.10 0.00 0.02 0.00 0.00 55.97 57.23 1p2q s LYS 84 Cb -0.13 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 35.07 1p2q s LYS 84 CO 0.01 -0.57 0.14 0.42 -0.92 0.00 0.00 175.35 174.44 1p2q s ILE 85 N -2.19 5.04 -0.04 2.17 1.01 -1.26 -1.12 121.20 124.82 1p2q s ILE 85 Ca 0.65 0.07 -0.18 0.00 0.00 0.00 0.00 60.65 61.20 1p2q s ILE 85 Cb -0.16 -3.36 -0.32 0.00 0.01 0.00 0.00 42.46 38.63 1p2q s ILE 85 CO 0.27 0.32 0.84 0.00 0.00 0.00 0.00 174.94 176.36 1p2q h ALA 86 N 7.92 -0.04 -2.41 9.38 0.00 -0.56 -3.44 119.26 130.10 1p2q h ALA 86 Ca -0.37 -0.86 -0.10 0.00 0.00 0.00 0.00 54.91 53.58 1p2q h ALA 86 Cb 1.18 0.23 -0.21 0.00 0.00 0.00 0.00 17.79 18.99 1p2q h ALA 86 CO 0.60 0.62 -0.11 0.21 0.00 0.00 0.00 179.25 180.57 1p2q s LYS 87 N -2.50 0.71 -0.18 0.00 2.20 -0.94 -4.97 119.74 114.05 1p2q s LYS 87 Ca -0.14 0.35 -0.04 0.00 -0.36 0.00 0.00 55.97 55.78 1p2q s LYS 87 Cb 0.03 0.33 -0.02 0.00 -1.51 0.00 0.00 37.83 36.66 1p2q s LYS 87 CO 0.85 -0.15 -0.02 0.08 -0.36 0.00 0.00 175.35 175.75 1p2q s VAL 88 N -0.48 3.90 -0.57 4.02 1.01 -1.26 -1.00 120.40 126.02 1p2q s VAL 88 Ca -0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 1p2q s VAL 88 Cb -0.03 -2.74 0.15 0.00 0.00 0.00 0.00 36.38 33.75 1p2q s VAL 88 CO 0.04 0.45 0.38 -0.36 0.00 0.00 0.00 175.10 175.61 1p2q s PHE 89 N 0.78 3.43 -0.00 5.22 0.40 0.94 -4.99 117.98 123.76 1p2q s PHE 89 Ca -0.00 -2.69 -0.26 0.00 -0.60 0.00 0.00 56.93 53.37 1p2q s PHE 89 Cb -0.14 -3.18 -0.04 0.00 0.51 0.00 0.00 43.02 40.17 1p2q s PHE 89 CO 0.02 -0.86 0.80 0.21 0.70 0.00 0.00 175.22 176.09 1p2q s LYS 90 N 0.16 4.50 0.08 0.44 2.20 -1.26 -0.66 119.74 125.19 1p2q s LYS 90 Ca 0.15 1.10 -0.31 0.00 -0.36 0.00 0.00 55.97 56.56 1p2q s LYS 90 Cb -0.21 -3.42 -0.10 0.00 -1.51 0.00 0.00 37.83 32.59 1p2q s LYS 90 CO -0.03 0.12 1.91 -1.71 -0.36 0.00 0.00 175.35 175.28 1p2q n ASN 91 N 3.43 4.12 0.16 1.43 2.85 -0.93 -4.82 115.26 121.50 1p2q n ASN 91 Ca 0.00 0.94 0.12 0.00 -0.11 0.00 0.00 54.58 55.53 1p2q n ASN 91 Cb 0.51 -1.54 0.59 0.00 1.24 0.00 0.00 39.78 40.58 1p2q n ASN 91 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1p2q h SER 92 N 9.65 0.00 0.01 1.20 4.64 -1.93 -1.34 113.55 125.78 1p2q h SER 92 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1p2q h SER 92 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1p2q h SER 92 CO 0.94 0.00 -0.03 0.29 -0.87 0.00 0.00 176.83 177.17 1p2q n LYS 93 N -2.31 1.60 -1.68 4.77 5.02 -1.26 -4.90 118.16 119.39 1p2q n LYS 93 Ca -0.00 -0.94 -0.45 0.00 -2.02 0.00 0.00 58.31 54.90 1p2q n LYS 93 Cb 0.10 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.59 1p2q n LYS 93 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1p2q n TYR 94 N 0.12 2.44 -3.43 2.13 9.36 -0.51 -4.67 117.16 122.60 1p2q n TYR 94 Ca 0.18 0.06 -0.44 0.00 3.32 0.00 0.00 57.90 61.03 1p2q n TYR 94 Cb 0.36 -2.64 -0.09 0.00 -0.63 0.00 0.00 39.34 36.34 1p2q n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1p2q s ASN 95 N 2.14 6.12 0.00 2.98 3.84 -0.39 -4.93 114.94 124.69 1p2q s ASN 95 Ca 0.82 -1.08 0.14 0.00 0.21 0.00 0.00 52.86 52.95 1p2q s ASN 95 Cb -0.60 -2.17 0.66 0.00 -0.55 0.00 0.00 41.25 38.59 1p2q s ASN 95 CO 0.40 -0.53 1.38 -1.54 -2.79 0.00 0.00 177.10 174.02 1p2q n SER 96 N 5.17 0.00 -0.13 -4.21 3.41 -1.26 0.29 113.62 116.89 1p2q n SER 96 Ca -0.12 0.20 -0.27 0.00 -0.26 0.00 0.00 58.87 58.42 1p2q n SER 96 Cb 0.46 -0.34 -0.11 0.00 -0.26 0.00 0.00 64.21 63.96 1p2q n SER 96 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1p2q n LEU 97 N -1.34 2.16 0.02 1.04 4.77 -1.26 -4.58 117.00 117.82 1p2q n LEU 97 Ca 0.06 0.25 0.11 0.00 -0.03 0.00 0.00 56.01 56.40 1p2q n LEU 97 Cb 0.12 -0.85 0.08 0.00 -2.33 0.00 0.00 43.42 40.44 1p2q n LEU 97 CO 0.11 0.63 0.14 0.35 -1.33 0.00 0.00 177.39 177.29 1p2q n THR 98 N -4.06 0.14 -1.08 -5.08 -2.24 -1.19 -4.96 114.28 95.82 1p2q n THR 98 Ca -0.51 -0.17 -0.03 0.00 -2.27 0.00 0.00 64.05 61.07 1p2q n THR 98 Cb 0.90 0.24 -0.01 0.00 -2.10 0.00 0.00 70.33 69.35 1p2q n THR 98 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1p2q n ILE 99 N -1.84 0.00 -2.20 2.28 5.41 0.14 -4.95 119.36 118.19 1p2q n ILE 99 Ca 0.03 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.45 1p2q n ILE 99 Cb 0.41 -0.63 -0.01 0.00 -0.71 0.00 0.00 39.64 38.70 1p2q n ILE 99 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1p2q s ASN 100 N -2.31 6.05 -1.27 4.38 2.47 -1.23 -3.77 114.94 119.26 1p2q s ASN 100 Ca 0.00 1.79 -0.05 0.00 0.42 0.00 0.00 52.86 55.02 1p2q s ASN 100 Cb 0.00 -2.53 0.01 0.00 -1.45 0.00 0.00 41.25 37.27 1p2q s ASN 100 CO 0.00 -0.98 1.09 0.59 -3.72 0.00 0.00 177.10 174.07 1p2q n ASN 101 N -1.76 -4.33 -4.12 -4.21 3.02 -1.26 -1.27 115.26 101.34 1p2q n ASN 101 Ca 0.08 -0.57 -0.43 0.00 -0.03 0.00 0.00 54.58 53.64 1p2q n ASN 101 Cb 0.53 -5.02 0.00 0.00 -0.61 0.00 0.00 39.78 34.68 1p2q n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1p2q n ASP 102 N -3.03 4.44 -3.80 6.41 2.03 -1.25 -3.93 116.55 117.42 1p2q n ASP 102 Ca -0.13 -2.89 -0.13 0.00 0.52 0.00 0.00 54.79 52.16 1p2q n ASP 102 Cb 0.61 -1.68 -0.11 0.00 -0.72 0.00 0.00 41.12 39.22 1p2q n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1p2q s ILE 103 N 3.38 0.02 -0.03 5.18 2.07 -1.26 -3.59 121.20 126.97 1p2q s ILE 103 Ca 0.49 -0.16 -0.04 0.00 -1.41 0.00 0.00 60.65 59.53 1p2q s ILE 103 Cb 0.09 -0.40 0.01 0.00 0.13 0.00 0.00 42.46 42.29 1p2q s ILE 103 CO -0.01 -0.09 0.10 -0.89 -1.91 0.00 0.00 174.94 172.14 1p2q s THR 104 N -0.28 0.01 -0.04 4.00 2.01 -0.21 -2.20 115.64 118.93 1p2q s THR 104 Ca -0.04 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 61.85 1p2q s THR 104 Cb -0.03 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.27 1p2q s THR 104 CO 0.01 -0.06 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.11 1p2q s LEU 105 N -0.15 3.46 -0.18 4.42 1.43 0.16 -0.86 118.68 126.96 1p2q s LEU 105 Ca -0.02 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1p2q s LEU 105 Cb -0.02 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.34 1p2q s LEU 105 CO 0.00 0.33 -0.18 -0.76 0.23 0.00 0.00 176.35 175.98 1p2q s LEU 106 N -1.17 2.25 -0.27 1.79 1.43 0.11 -0.04 118.68 122.78 1p2q s LEU 106 Ca 0.16 -0.60 -0.14 0.00 -1.03 0.00 0.00 54.13 52.52 1p2q s LEU 106 Cb -0.11 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 1p2q s LEU 106 CO 0.06 0.01 0.31 -0.75 0.23 0.00 0.00 176.35 176.20 1p2q s LYS 107 N 1.25 4.01 0.48 1.70 2.20 -0.17 -1.06 119.74 128.14 1p2q s LYS 107 Ca 0.04 -0.08 -0.21 0.00 -0.36 0.00 0.00 55.97 55.36 1p2q s LYS 107 Cb -0.14 -3.65 -0.08 0.00 -1.51 0.00 0.00 37.83 32.46 1p2q s LYS 107 CO -0.10 -0.22 1.07 -0.51 -0.36 0.00 0.00 175.35 175.23 1p2q s LEU 108 N 1.89 3.89 -0.01 5.43 1.43 -0.27 0.09 118.68 131.13 1p2q s LEU 108 Ca 0.12 2.03 -0.26 0.00 -1.03 0.00 0.00 54.13 54.99 1p2q s LEU 108 Cb -0.16 -4.47 -0.20 0.00 0.03 0.00 0.00 46.19 41.39 1p2q s LEU 108 CO 0.10 -0.83 1.29 0.28 0.23 0.00 0.00 176.35 177.42 1p2q h SER 109 N 1.69 -0.01 -4.09 2.29 0.02 -1.40 -3.40 113.55 108.66 1p2q h SER 109 Ca -0.49 -0.45 -0.63 0.00 -0.84 0.00 0.00 61.79 59.37 1p2q h SER 109 Cb 1.23 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.46 1p2q h SER 109 CO 0.59 0.45 -0.86 0.42 -1.14 0.00 0.00 176.83 176.28 1p2q s THR 110 N -4.38 1.77 0.68 -2.27 -4.23 -1.26 -4.96 115.64 101.00 1p2q s THR 110 Ca -0.16 -0.92 -0.17 0.00 -1.18 0.00 0.00 61.69 59.26 1p2q s THR 110 Cb 0.02 -1.50 0.00 0.00 1.34 0.00 0.00 72.50 72.36 1p2q s THR 110 CO 0.67 0.50 1.14 0.00 -0.54 0.00 0.00 174.62 176.39 1p2q n ALA 111 N 2.91 0.46 -1.82 3.99 0.00 -1.26 -4.81 120.51 119.97 1p2q n ALA 111 Ca -0.17 -0.10 -0.36 0.00 0.00 0.00 0.00 53.44 52.81 1p2q n ALA 111 Cb 0.52 -2.22 -0.06 0.00 0.00 0.00 0.00 19.45 17.69 1p2q n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p2q s ALA 112 N -1.62 3.21 -0.55 0.00 0.00 0.39 -5.00 121.76 118.19 1p2q s ALA 112 Ca 0.78 0.46 -0.21 0.00 0.00 0.00 0.00 51.96 52.99 1p2q s ALA 112 Cb -0.36 -3.13 0.06 0.00 0.00 0.00 0.00 23.12 19.68 1p2q s ALA 112 CO 0.45 0.19 0.76 -1.12 0.00 0.00 0.00 175.76 176.04 1p2q s SER 113 N -1.71 6.24 0.55 0.00 0.01 -1.26 -4.82 113.70 112.71 1p2q s SER 113 Ca 0.51 -0.83 -0.21 0.00 1.31 0.00 0.00 55.95 56.74 1p2q s SER 113 Cb -0.17 -2.35 -0.05 0.00 0.21 0.00 0.00 66.02 63.67 1p2q s SER 113 CO 0.22 -1.07 1.25 -0.36 0.41 0.00 0.00 173.24 173.68 1p2q s PHE 114 N 3.17 2.45 0.00 2.43 0.40 -1.26 -4.83 117.98 120.33 1p2q s PHE 114 Ca 0.20 1.47 0.00 0.00 -0.60 0.00 0.00 56.93 58.00 1p2q s PHE 114 Cb -0.18 -3.57 0.00 0.00 0.51 0.00 0.00 43.02 39.78 1p2q s PHE 114 CO 0.13 -2.31 0.00 -1.13 0.70 0.00 0.00 175.22 172.61 1p2q n SER 115 N -1.19 0.00 0.25 1.36 3.41 0.11 -4.93 113.62 112.62 1p2q n SER 115 Ca 0.11 -0.35 0.07 0.00 -0.26 0.00 0.00 58.87 58.45 1p2q n SER 115 Cb 0.48 0.00 0.59 0.00 -0.26 0.00 0.00 64.21 65.02 1p2q n SER 115 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1p2q h GLN 116 N 0.00 0.00 -0.09 4.33 4.15 -1.98 -2.87 115.11 118.66 1p2q h GLN 116 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1p2q h GLN 116 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1p2q h GLN 116 CO 0.00 0.08 0.00 0.25 -1.93 0.00 0.00 178.83 177.23 1p2q n THR 117 N -4.40 0.21 -3.66 2.39 -2.24 -1.26 -4.24 114.28 101.08 1p2q n THR 117 Ca -0.03 -0.61 -0.25 0.00 -2.27 0.00 0.00 64.05 60.90 1p2q n THR 117 Cb 0.16 1.08 -0.17 0.00 -2.10 0.00 0.00 70.33 69.30 1p2q n THR 117 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1p2q s VAL 118 N -0.97 0.09 0.35 2.28 1.01 -1.08 -4.21 120.40 117.87 1p2q s VAL 118 Ca 0.16 -0.13 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 1p2q s VAL 118 Cb 0.10 -0.60 0.05 0.00 0.00 0.00 0.00 36.38 35.93 1p2q s VAL 118 CO 0.15 -0.14 0.68 -1.54 0.00 0.00 0.00 175.10 174.25 1p2q n SER 119 N 5.22 -1.97 -4.94 3.32 3.41 -0.95 0.04 113.62 117.74 1p2q n SER 119 Ca -0.07 -2.45 -0.26 0.00 -0.26 0.00 0.00 58.87 55.83 1p2q n SER 119 Cb 0.49 3.31 -0.03 0.00 -0.26 0.00 0.00 64.21 67.72 1p2q n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p2q s ALA 120 N -2.03 3.95 0.23 7.33 0.00 -1.26 -2.78 121.76 127.19 1p2q s ALA 120 Ca 0.15 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 1p2q s ALA 120 Cb -0.04 -1.81 -0.05 0.00 0.00 0.00 0.00 23.12 21.22 1p2q s ALA 120 CO 0.11 0.51 0.44 0.54 0.00 0.00 0.00 175.76 177.37 1p2q s VAL 121 N -1.77 5.14 0.41 0.00 0.11 -0.56 -1.22 120.40 122.51 1p2q s VAL 121 Ca 0.35 -0.21 -0.15 0.00 -2.93 0.00 0.00 61.98 59.04 1p2q s VAL 121 Cb -0.11 -3.73 -0.08 0.00 -1.53 0.00 0.00 36.38 30.93 1p2q s VAL 121 CO 0.29 -0.22 0.83 0.00 -3.33 0.00 0.00 175.10 172.67 1p2q s LEU 123 N -3.53 3.78 0.81 0.00 1.43 -1.26 -0.54 118.68 119.36 1p2q s LEU 123 Ca 0.55 0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.67 1p2q s LEU 123 Cb -0.10 -2.13 0.11 0.00 0.03 0.00 0.00 46.19 44.10 1p2q s LEU 123 CO 0.24 0.29 1.16 -2.16 0.23 0.00 0.00 176.35 176.11 1p2q s PRO 124 N -1.55 1.66 0.15 1.29 0.04 -1.26 -4.91 135.00 130.42 1p2q s PRO 124 Ca 0.20 -0.23 -0.08 0.00 0.04 0.00 0.00 61.00 60.94 1p2q s PRO 124 Cb -0.12 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 1p2q s PRO 124 CO 0.11 -1.70 0.44 -1.12 0.04 0.00 0.00 177.00 174.76 1p2q s SER 125 N -4.66 6.58 0.55 6.66 0.01 -1.26 -4.94 113.70 116.64 1p2q s SER 125 Ca 0.65 0.75 0.28 0.00 1.31 0.00 0.00 55.95 58.94 1p2q s SER 125 Cb -0.09 -2.16 1.45 0.00 0.21 0.00 0.00 66.02 65.44 1p2q s SER 125 CO 0.48 0.05 1.95 0.00 0.41 0.00 0.00 173.24 176.14 1p2q h ALA 126 N 3.00 2.50 -0.02 1.44 0.00 -1.93 -0.13 119.26 124.13 1p2q h ALA 126 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1p2q h ALA 126 Cb 1.17 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1p2q h ALA 126 CO 0.70 -0.78 -0.08 -1.13 0.00 0.00 0.00 179.25 177.96 1p2q n SER 127 N -4.18 1.63 -4.75 0.00 3.41 -1.26 -4.74 113.62 103.73 1p2q n SER 127 Ca 0.12 -1.44 -0.41 0.00 -0.26 0.00 0.00 58.87 56.88 1p2q n SER 127 Cb 0.71 0.05 0.01 0.00 -0.26 0.00 0.00 64.21 64.72 1p2q n SER 127 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1p2q n ASP 128 N 0.15 3.22 -3.99 4.04 8.00 -0.07 -4.98 116.55 122.92 1p2q n ASP 128 Ca 0.16 1.14 -0.31 0.00 0.71 0.00 0.00 54.79 56.50 1p2q n ASP 128 Cb 0.39 -1.58 -0.15 0.00 -0.02 0.00 0.00 41.12 39.76 1p2q n ASP 128 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1p2q s ASP 129 N -0.40 4.59 -0.47 -2.24 2.15 -1.26 -4.98 116.67 114.05 1p2q s ASP 129 Ca 0.59 -1.93 -0.18 0.00 0.43 0.00 0.00 52.55 51.47 1p2q s ASP 129 Cb -0.47 -1.51 0.04 0.00 -0.30 0.00 0.00 42.92 40.68 1p2q s ASP 129 CO 0.59 -0.34 0.52 -0.36 -0.17 0.00 0.00 175.17 175.41 1p2q s PHE 130 N 1.03 3.13 0.62 -5.34 0.40 -1.26 -5.04 117.98 111.52 1p2q s PHE 130 Ca 0.07 -0.51 -0.19 0.00 -0.60 0.00 0.00 56.93 55.70 1p2q s PHE 130 Cb -0.19 -3.23 -0.02 0.00 0.51 0.00 0.00 43.02 40.09 1p2q s PHE 130 CO -0.09 -0.86 1.32 0.00 0.70 0.00 0.00 175.22 176.28 1p2q s ALA 131 N 2.31 2.50 0.37 5.36 0.00 -1.26 -4.95 121.76 126.08 1p2q s ALA 131 Ca 0.13 1.26 -0.28 0.00 0.00 0.00 0.00 51.96 53.07 1p2q s ALA 131 Cb -0.19 -3.56 -0.10 0.00 0.00 0.00 0.00 23.12 19.27 1p2q s ALA 131 CO 0.12 -1.55 1.36 0.00 0.00 0.00 0.00 175.76 175.69 1p2q s ALA 132 N -1.36 3.43 0.00 0.00 0.00 -1.26 -2.12 121.76 120.45 1p2q s ALA 132 Ca 0.80 1.35 0.00 0.00 0.00 0.00 0.00 51.96 54.10 1p2q s ALA 132 Cb -0.39 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1p2q s ALA 132 CO 0.42 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.76 1p2q n GLY 133 N 0.66 1.73 3.74 0.00 0.00 0.51 -4.94 105.19 106.89 1p2q n GLY 133 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1p2q n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p2q s THR 134 N -2.40 2.36 -0.40 2.61 2.01 -0.90 -4.62 115.64 114.30 1p2q s THR 134 Ca 0.00 0.28 -0.25 0.00 0.31 0.00 0.00 61.69 62.03 1p2q s THR 134 Cb 0.00 -3.18 0.02 0.00 0.01 0.00 0.00 72.50 69.35 1p2q s THR 134 CO 0.00 0.04 0.91 -0.89 -0.69 0.00 0.00 174.62 173.99 1p2q s THR 135 N 0.45 4.56 0.25 -0.82 2.01 -1.26 -1.38 115.64 119.44 1p2q s THR 135 Ca 0.66 1.02 0.01 0.00 0.31 0.00 0.00 61.69 63.69 1p2q s THR 135 Cb -0.45 -4.36 0.01 0.00 0.01 0.00 0.00 72.50 67.71 1p2q s THR 135 CO 0.40 -0.63 0.09 0.00 -0.69 0.00 0.00 174.62 173.79 1p2q s VAL 137 N -1.61 0.30 0.08 0.00 1.01 0.34 -0.68 120.40 119.84 1p2q s VAL 137 Ca 0.06 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.60 1p2q s VAL 137 Cb -0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 1p2q s VAL 137 CO 0.04 -0.14 -0.18 0.28 0.00 0.00 0.00 175.10 175.10 1p2q s THR 138 N -0.64 1.44 0.10 3.92 -1.32 -0.66 -0.02 115.64 118.46 1p2q s THR 138 Ca -0.05 -1.37 0.00 0.00 -1.21 0.00 0.00 61.69 59.06 1p2q s THR 138 Cb -0.05 -1.32 -0.04 0.00 -1.51 0.00 0.00 72.50 69.58 1p2q s THR 138 CO -0.00 -0.09 -0.01 0.42 -2.21 0.00 0.00 174.62 172.73 1p2q s THR 139 N -1.14 0.40 0.00 5.08 -4.23 -1.18 -1.91 115.64 112.67 1p2q s THR 139 Ca 0.03 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 1p2q s THR 139 Cb -0.10 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 71.96 1p2q s THR 139 CO 0.03 -0.75 0.00 0.61 -0.54 0.00 0.00 174.62 173.97 1p2q n GLY 140 N -0.04 0.46 1.40 3.99 0.00 -0.81 -4.39 105.19 105.80 1p2q n GLY 140 Ca -0.10 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1p2q n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1p2q n TRP 141 N -1.03 1.59 -1.09 1.61 8.01 -1.26 -1.69 117.44 123.57 1p2q n TRP 141 Ca 0.00 -1.16 -0.29 0.00 -1.31 0.00 0.00 57.50 54.74 1p2q n TRP 141 Cb 0.00 -0.50 0.16 0.00 -2.01 0.00 0.00 31.31 28.96 1p2q n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1p2q s GLY 142 N -1.70 1.60 0.38 6.99 0.00 -1.25 -4.05 107.32 109.29 1p2q s GLY 142 Ca 0.48 -0.09 -0.25 0.00 0.00 0.00 0.00 44.72 44.86 1p2q s GLY 142 CO 0.09 0.44 0.95 1.04 0.00 0.00 0.00 173.10 175.62 1p2q n LEU 143 N -4.08 2.04 -0.39 0.66 4.77 -0.19 -2.20 117.00 117.60 1p2q n LEU 143 Ca 0.06 1.06 0.11 0.00 -0.03 0.00 0.00 56.01 57.21 1p2q n LEU 143 Cb 0.55 -1.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.31 1p2q n LEU 143 CO 0.56 -1.64 0.23 0.35 -1.33 0.00 0.00 177.39 175.56 1p2q n THR 144 N -0.34 0.00 -3.68 -5.08 -2.24 -1.26 -0.69 114.28 101.00 1p2q n THR 144 Ca 0.10 -0.22 -0.10 0.00 -2.27 0.00 0.00 64.05 61.56 1p2q n THR 144 Cb 0.37 1.20 -0.11 0.00 -2.10 0.00 0.00 70.33 69.70 1p2q n THR 144 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1p2q s ARG 145 N -2.53 0.36 -0.98 -0.78 3.52 -1.26 -4.08 118.95 113.19 1p2q s ARG 145 Ca 0.16 0.85 -0.23 0.00 -0.13 0.00 0.00 55.73 56.38 1p2q s ARG 145 Cb 0.17 0.07 0.06 0.00 -1.56 0.00 0.00 34.95 33.69 1p2q s ARG 145 CO 0.62 -0.19 1.40 -0.47 -0.81 0.00 0.00 175.30 175.85 1p2q s TYR 146 N 1.76 2.57 0.00 5.12 5.04 -1.26 -4.94 117.35 125.64 1p2q s TYR 146 Ca -0.07 -0.82 0.00 0.00 -2.44 0.00 0.00 57.07 53.74 1p2q s TYR 146 Cb -0.10 -4.65 0.00 0.00 0.35 0.00 0.00 41.96 37.56 1p2q s TYR 146 CO -0.13 -1.91 0.00 0.00 -1.34 0.00 0.00 175.55 172.18 1p2q n ALA 149 N 8.70 0.00 -2.74 3.97 0.00 -1.26 -5.13 120.51 124.05 1p2q n ALA 149 Ca 0.29 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.51 1p2q n ALA 149 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 1p2q n ALA 149 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1p2q s ASN 150 N 0.00 5.13 0.60 0.00 2.47 -1.26 -5.07 114.94 116.82 1p2q s ASN 150 Ca 0.00 -0.42 -0.18 0.00 0.42 0.00 0.00 52.86 52.69 1p2q s ASN 150 Cb 0.00 -1.17 -0.03 0.00 -1.45 0.00 0.00 41.25 38.60 1p2q s ASN 150 CO 0.00 -0.04 1.14 0.42 -3.72 0.00 0.00 177.10 174.90 1p2q s THR 151 N -2.22 3.07 0.49 -5.21 -4.23 -1.26 -4.73 115.64 101.55 1p2q s THR 151 Ca 0.33 0.60 -0.21 0.00 -1.18 0.00 0.00 61.69 61.22 1p2q s THR 151 Cb -0.07 -3.17 -0.07 0.00 1.34 0.00 0.00 72.50 70.53 1p2q s THR 151 CO 0.23 -0.21 1.13 -2.16 -0.54 0.00 0.00 174.62 173.07 1p2q s PRO 152 N -3.60 3.63 0.09 3.99 0.04 -1.26 -4.95 135.00 132.95 1p2q s PRO 152 Ca 0.71 1.65 -0.14 0.00 0.04 0.00 0.00 61.00 63.26 1p2q s PRO 152 Cb -0.24 -2.23 -0.12 0.00 0.04 0.00 0.00 34.50 31.95 1p2q s PRO 152 CO 0.34 -0.63 1.35 -0.44 0.04 0.00 0.00 177.00 177.66 1p2q h ASP 153 N 1.70 0.81 -3.03 6.66 3.32 -1.93 -3.45 116.42 120.49 1p2q h ASP 153 Ca -0.50 -0.55 -0.61 0.00 0.02 0.00 0.00 57.03 55.40 1p2q h ASP 153 Cb 1.25 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 40.51 1p2q h ASP 153 CO 0.59 1.21 -0.20 -0.13 -1.72 0.00 0.00 179.24 178.99 1p2q s ARG 154 N -4.05 3.92 0.21 3.56 0.52 -1.26 -0.24 118.95 121.61 1p2q s ARG 154 Ca -0.12 0.41 -0.32 0.00 -0.52 0.00 0.00 55.73 55.18 1p2q s ARG 154 Cb 0.08 -3.20 -0.14 0.00 0.52 0.00 0.00 34.95 32.21 1p2q s ARG 154 CO 0.86 0.68 1.38 -0.11 0.02 0.00 0.00 175.30 178.12 1p2q n LEU 155 N 1.73 2.71 -4.75 2.53 7.94 -0.37 -4.89 117.00 121.90 1p2q n LEU 155 Ca -0.13 1.13 -0.22 0.00 -1.11 0.00 0.00 56.01 55.68 1p2q n LEU 155 Cb 0.52 -1.37 -0.06 0.00 0.53 0.00 0.00 43.42 43.04 1p2q n LEU 155 CO 0.38 -0.66 -0.21 -1.10 -1.11 0.00 0.00 177.39 174.69 1p2q s GLN 156 N -0.18 2.56 0.10 1.96 -1.52 -0.68 -1.42 119.66 120.47 1p2q s GLN 156 Ca 0.71 -1.33 -0.07 0.00 -1.95 0.00 0.00 55.36 52.73 1p2q s GLN 156 Cb -0.71 -2.33 -0.01 0.00 -0.22 0.00 0.00 33.01 29.74 1p2q s GLN 156 CO 0.48 0.27 0.16 1.14 -0.25 0.00 0.00 175.29 177.09 1p2q s GLN 157 N -3.81 0.86 -0.28 2.91 -2.07 0.85 -1.93 119.66 116.19 1p2q s GLN 157 Ca 0.35 -1.08 -0.21 0.00 -1.82 0.00 0.00 55.36 52.60 1p2q s GLN 157 Cb -0.06 0.32 0.09 0.00 -1.09 0.00 0.00 33.01 32.27 1p2q s GLN 157 CO 0.23 -0.26 0.78 0.00 -1.32 0.00 0.00 175.29 174.72 1p2q s ALA 158 N -3.90 -1.89 -0.02 2.60 0.00 -0.80 -0.22 121.76 117.53 1p2q s ALA 158 Ca 0.09 2.15 -0.16 0.00 0.00 0.00 0.00 51.96 54.04 1p2q s ALA 158 Cb 0.05 -1.35 -0.05 0.00 0.00 0.00 0.00 23.12 21.77 1p2q s ALA 158 CO -0.08 -0.34 0.43 -1.54 0.00 0.00 0.00 175.76 174.23 1p2q s SER 159 N 0.85 6.80 0.01 0.00 1.04 -1.26 -1.65 113.70 119.48 1p2q s SER 159 Ca -0.04 0.94 -0.18 0.00 0.48 0.00 0.00 55.95 57.16 1p2q s SER 159 Cb -0.05 -2.26 0.03 0.00 0.10 0.00 0.00 66.02 63.84 1p2q s SER 159 CO -0.08 0.25 0.40 -1.48 0.98 0.00 0.00 173.24 173.31 1p2q s LEU 160 N -0.70 0.45 0.23 2.42 2.34 0.14 -4.94 118.68 118.63 1p2q s LEU 160 Ca 0.24 0.12 -0.18 0.00 0.06 0.00 0.00 54.13 54.38 1p2q s LEU 160 Cb -0.16 1.65 -0.08 0.00 -0.56 0.00 0.00 46.19 47.03 1p2q s LEU 160 CO 0.13 -0.57 0.70 -2.16 -1.06 0.00 0.00 176.35 173.39 1p2q s PRO 161 N -1.85 4.16 0.37 1.48 0.04 -1.26 -0.33 135.00 137.61 1p2q s PRO 161 Ca -0.09 0.77 -0.25 0.00 0.04 0.00 0.00 61.00 61.46 1p2q s PRO 161 Cb -0.02 -2.79 -0.09 0.00 0.04 0.00 0.00 34.50 31.64 1p2q s PRO 161 CO 0.02 0.35 1.05 -0.51 0.04 0.00 0.00 177.00 177.95 1p2q s LEU 162 N -2.20 4.24 0.08 -3.56 1.43 -0.48 -1.57 118.68 116.62 1p2q s LEU 162 Ca 0.45 2.06 0.05 0.00 -1.03 0.00 0.00 54.13 55.66 1p2q s LEU 162 Cb -0.15 -4.06 -0.04 0.00 0.03 0.00 0.00 46.19 41.97 1p2q s LEU 162 CO 0.20 -0.38 -0.03 -0.76 0.23 0.00 0.00 176.35 175.61 1p2q s LEU 163 N -2.34 3.33 0.56 1.79 1.43 0.14 -0.36 118.68 123.24 1p2q s LEU 163 Ca 0.54 -0.22 -0.18 0.00 -1.03 0.00 0.00 54.13 53.25 1p2q s LEU 163 Cb -0.24 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 1p2q s LEU 163 CO 0.30 0.19 1.08 -0.94 0.23 0.00 0.00 176.35 177.21 1p2q s SER 164 N -2.15 5.79 0.39 2.29 1.04 -1.26 -4.45 113.70 115.35 1p2q s SER 164 Ca 0.23 1.97 0.06 0.00 0.48 0.00 0.00 55.95 58.70 1p2q s SER 164 Cb -0.11 -2.56 0.80 0.00 0.10 0.00 0.00 66.02 64.25 1p2q s SER 164 CO 0.16 -1.16 2.02 0.78 0.98 0.00 0.00 173.24 176.02 1p2q h ASN 165 N 0.86 0.56 -0.59 7.02 2.35 -1.98 -0.23 115.58 123.57 1p2q h ASN 165 Ca -0.48 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.21 1p2q h ASN 165 Cb 1.24 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 39.45 1p2q h ASN 165 CO 0.57 0.39 0.20 0.74 -1.65 0.00 0.00 177.43 177.68 1p2q h THR 166 N 0.66 1.24 -0.33 2.81 2.02 -1.99 0.27 112.91 117.58 1p2q h THR 166 Ca 0.21 -0.79 -0.17 0.00 0.77 0.00 0.00 66.41 66.43 1p2q h THR 166 Cb 0.04 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1p2q h THR 166 CO -0.05 0.30 -0.47 -1.13 0.37 0.00 0.00 175.52 174.54 1p2q h ASN 167 N 0.83 0.97 -0.31 4.18 -1.24 -1.71 -2.84 115.58 115.46 1p2q h ASN 167 Ca 0.19 -0.48 -0.02 0.00 0.71 0.00 0.00 56.30 56.70 1p2q h ASN 167 Cb 0.26 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 1p2q h ASN 167 CO -0.01 1.28 0.12 0.00 -1.29 0.00 0.00 177.43 177.53 1p2q h LYS 169 N 0.35 0.00 -0.04 0.00 1.57 -0.91 -0.48 116.57 117.05 1p2q h LYS 169 Ca 0.10 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1p2q h LYS 169 Cb 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1p2q h LYS 169 CO -0.01 0.01 0.06 0.87 -0.57 0.00 0.00 179.45 179.81 1p2q h LYS 170 N 0.00 0.00 0.00 3.15 1.57 -1.18 0.12 116.57 120.24 1p2q h LYS 170 Ca -0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1p2q h LYS 170 Cb 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1p2q h LYS 170 CO 0.00 0.00 -1.15 0.98 -0.57 0.00 0.00 179.45 178.71 1p2q n TYR 171 N -3.60 0.00 1.28 -1.35 9.36 -0.26 -4.75 117.16 117.84 1p2q n TYR 171 Ca -0.02 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.34 1p2q n TYR 171 Cb 0.15 -0.44 0.62 0.00 -0.63 0.00 0.00 39.34 39.04 1p2q n TYR 171 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 1p2q n TRP 172 N -3.99 0.00 -2.00 2.98 7.02 -0.75 -5.01 117.44 115.68 1p2q n TRP 172 Ca -0.19 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.29 1p2q n TRP 172 Cb 0.49 -0.29 0.00 0.00 -2.42 0.00 0.00 31.31 29.09 1p2q n TRP 172 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1p2q n GLY 173 N 1.35 2.60 0.00 6.99 0.00 0.43 -1.93 105.19 114.64 1p2q n GLY 173 Ca 0.12 -0.24 0.09 0.00 0.00 0.00 0.00 46.02 45.99 1p2q n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1p2q n THR 174 N 0.00 0.00 0.44 2.61 -2.24 -1.26 -2.87 114.28 110.96 1p2q n THR 174 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1p2q n THR 174 Cb 0.00 -0.59 0.45 0.00 -2.10 0.00 0.00 70.33 68.09 1p2q n THR 174 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1p2q h LYS 175 N 0.00 0.00 -6.01 -0.78 1.79 -1.80 -3.42 116.57 106.35 1p2q h LYS 175 Ca 0.00 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.88 1p2q h LYS 175 Cb 0.00 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.57 1p2q h LYS 175 CO 0.00 0.00 0.62 0.42 -1.08 0.00 0.00 179.45 179.41 1p2q s ILE 176 N -3.28 4.68 0.46 1.86 -1.09 -1.14 -5.02 121.20 117.67 1p2q s ILE 176 Ca 0.06 1.53 0.08 0.00 -2.23 0.00 0.00 60.65 60.10 1p2q s ILE 176 Cb 0.10 -4.27 0.01 0.00 -1.58 0.00 0.00 42.46 36.73 1p2q s ILE 176 CO 0.53 -0.31 0.51 -0.54 -1.23 0.00 0.00 174.94 173.89 1p2q s LYS 177 N 3.24 2.55 0.58 2.79 -0.14 -1.26 -5.03 119.74 122.46 1p2q s LYS 177 Ca 0.39 -1.52 0.29 0.00 -1.36 0.00 0.00 55.97 53.77 1p2q s LYS 177 Cb -0.14 -2.50 1.75 0.00 -1.68 0.00 0.00 37.83 35.26 1p2q s LYS 177 CO 0.12 -0.38 2.22 0.38 -0.76 0.00 0.00 175.35 176.93 1p2q h ASP 178 N 0.74 0.00 -0.90 2.83 3.04 -1.99 -2.35 116.42 117.78 1p2q h ASP 178 Ca -0.38 0.00 -0.40 0.00 -3.24 0.00 0.00 57.03 53.01 1p2q h ASP 178 Cb 1.28 0.00 -0.24 0.00 -1.04 0.00 0.00 39.33 39.33 1p2q h ASP 178 CO 0.51 0.03 0.50 0.00 -2.04 0.00 0.00 179.24 178.24 1p2q n ALA 179 N -2.32 5.21 -2.51 4.15 0.00 -1.26 -4.91 120.51 118.87 1p2q n ALA 179 Ca -0.03 -2.68 -0.25 0.00 0.00 0.00 0.00 53.44 50.49 1p2q n ALA 179 Cb 0.11 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.06 1p2q n ALA 179 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1p2q s MET 180 N -3.18 1.26 -0.01 0.00 -1.94 -0.89 -0.06 119.30 114.49 1p2q s MET 180 Ca 0.56 -1.05 0.01 0.00 -1.71 0.00 0.00 55.69 53.50 1p2q s MET 180 Cb 0.47 -1.46 0.01 0.00 2.01 0.00 0.00 34.83 35.86 1p2q s MET 180 CO 0.12 0.36 -0.01 -1.50 -0.01 0.00 0.00 175.02 173.97 1p2q s ILE 181 N -0.97 0.15 0.15 2.53 2.07 0.55 -4.65 121.20 121.03 1p2q s ILE 181 Ca 0.07 -0.04 0.04 0.00 -1.41 0.00 0.00 60.65 59.31 1p2q s ILE 181 Cb -0.09 -0.16 -0.04 0.00 0.13 0.00 0.00 42.46 42.30 1p2q s ILE 181 CO 0.03 0.07 0.18 0.00 -1.91 0.00 0.00 174.94 173.31 1p2q s ALA 183 N -1.70 -1.39 0.00 0.00 0.00 -0.51 -0.68 121.76 117.47 1p2q s ALA 183 Ca 0.32 0.76 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1p2q s ALA 183 Cb -0.11 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.26 1p2q s ALA 183 CO 0.25 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1p2q n GLY 184 N 0.63 0.69 2.51 0.00 0.00 -0.61 -0.44 105.19 107.97 1p2q n GLY 184 Ca -0.19 -1.72 -0.21 0.00 0.00 0.00 0.00 46.02 43.91 1p2q n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p2q n ALA 185 N 0.29 -0.42 -1.13 4.61 0.00 -1.12 -4.73 120.51 118.01 1p2q n ALA 185 Ca 0.00 0.27 0.09 0.00 0.00 0.00 0.00 53.44 53.80 1p2q n ALA 185 Cb 0.00 -2.08 0.17 0.00 0.00 0.00 0.00 19.45 17.55 1p2q n ALA 185 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1p2q n SER 186 N -1.57 2.60 0.00 0.00 3.41 -1.07 -4.61 113.62 112.38 1p2q n SER 186 Ca -0.22 -3.19 0.00 0.00 -0.26 0.00 0.00 58.87 55.20 1p2q n SER 186 Cb 0.68 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1p2q n SER 186 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p2q n GLY 187 N -1.21 0.59 3.32 5.00 0.00 -0.32 -5.06 105.19 107.51 1p2q n GLY 187 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 1p2q n GLY 187 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p2q s VAL 188 N -2.00 0.95 -0.27 1.61 -7.23 -1.25 -4.68 120.40 107.52 1p2q s VAL 188 Ca 0.00 -2.02 -0.23 0.00 -1.81 0.00 0.00 61.98 57.92 1p2q s VAL 188 Cb 0.00 -2.37 0.08 0.00 0.56 0.00 0.00 36.38 34.66 1p2q s VAL 188 CO 0.00 -0.29 0.79 -0.55 -0.31 0.00 0.00 175.10 174.73 1p2q s SER 189 N -3.30 -0.71 0.73 4.85 0.15 -1.00 -4.23 113.70 110.19 1p2q s SER 189 Ca 0.29 1.32 -0.12 0.00 0.70 0.00 0.00 55.95 58.14 1p2q s SER 189 Cb 0.06 1.33 0.04 0.00 -1.71 0.00 0.00 66.02 65.74 1p2q s SER 189 CO 0.09 -0.22 1.10 -0.44 1.20 0.00 0.00 173.24 174.96 1p2q s SER 190 N 0.60 4.71 0.33 5.45 0.01 -1.26 -0.11 113.70 123.42 1p2q s SER 190 Ca -0.01 1.88 -0.10 0.00 1.31 0.00 0.00 55.95 59.03 1p2q s SER 190 Cb -0.05 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.67 1p2q s SER 190 CO -0.05 -1.90 0.57 0.00 0.41 0.00 0.00 173.24 172.28 1p2q n MET 192 N -0.50 0.34 0.00 0.00 2.81 -1.26 -0.48 117.12 118.03 1p2q n MET 192 Ca -0.02 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 1p2q n MET 192 Cb 0.61 -1.73 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 1p2q n MET 192 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1p2q n GLY 193 N 5.61 1.81 0.14 3.03 0.00 -1.26 -1.03 105.19 113.49 1p2q n GLY 193 Ca 0.40 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.53 1p2q n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1p2q h ASP 194 N 0.00 0.00 -1.82 1.61 3.32 -1.10 -3.35 116.42 115.09 1p2q h ASP 194 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 1p2q h ASP 194 Cb 0.00 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.67 1p2q h ASP 194 CO 0.00 0.03 -0.26 -1.20 -1.72 0.00 0.00 179.24 176.09 1p2q n SER 195 N -2.81 -0.21 0.00 6.45 7.64 -1.26 -1.38 113.62 122.05 1p2q n SER 195 Ca 0.01 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1p2q n SER 195 Cb 0.56 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 1p2q n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1p2q n GLY 196 N 1.66 2.93 3.69 0.23 0.00 -0.34 -0.01 105.19 113.34 1p2q n GLY 196 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1p2q n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p2q s GLY 197 N -1.65 1.60 0.33 -0.02 0.00 -0.48 -3.41 107.32 103.69 1p2q s GLY 197 Ca 0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 44.72 43.85 1p2q s GLY 197 CO 0.00 -0.02 0.67 2.56 0.00 0.00 0.00 173.10 176.31 1p2q s PRO 198 N -5.34 3.78 -0.25 2.90 0.04 -1.26 -1.21 135.00 133.66 1p2q s PRO 198 Ca 0.69 0.35 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1p2q s PRO 198 Cb -0.12 -2.51 0.07 0.00 0.04 0.00 0.00 34.50 31.98 1p2q s PRO 198 CO 0.56 0.12 0.00 -1.17 0.04 0.00 0.00 177.00 176.55 1p2q s LEU 199 N -3.46 2.44 0.09 -3.56 2.96 -0.47 -3.10 118.68 113.58 1p2q s LEU 199 Ca 0.49 -1.28 0.08 0.00 -0.22 0.00 0.00 54.13 53.20 1p2q s LEU 199 Cb -0.11 -1.05 -0.04 0.00 0.50 0.00 0.00 46.19 45.50 1p2q s LEU 199 CO 0.27 -0.30 -0.17 0.68 -1.32 0.00 0.00 176.35 175.52 1p2q s VAL 200 N 1.48 2.92 0.05 1.68 -7.23 0.98 -1.13 120.40 119.14 1p2q s VAL 200 Ca -0.00 -1.36 0.02 0.00 -1.81 0.00 0.00 61.98 58.82 1p2q s VAL 200 Cb -0.18 -2.31 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 1p2q s VAL 200 CO -0.10 0.18 -0.07 0.00 -0.31 0.00 0.00 175.10 174.80 1p2q s LYS 202 N -2.03 4.69 -0.27 0.00 1.02 -1.26 -0.34 119.74 121.54 1p2q s LYS 202 Ca -0.06 1.52 0.01 0.00 0.02 0.00 0.00 55.97 57.46 1p2q s LYS 202 Cb -0.07 -3.34 0.08 0.00 -0.52 0.00 0.00 37.83 33.98 1p2q s LYS 202 CO -0.01 0.20 0.01 0.21 -0.92 0.00 0.00 175.35 174.85 1p2q s LYS 203 N -0.18 1.30 -1.43 1.68 2.20 0.66 -4.71 119.74 119.25 1p2q s LYS 203 Ca 0.47 -1.14 -0.11 0.00 -0.36 0.00 0.00 55.97 54.83 1p2q s LYS 203 Cb -0.25 -2.52 0.04 0.00 -1.51 0.00 0.00 37.83 33.59 1p2q s LYS 203 CO 0.31 -0.76 1.09 0.09 -0.36 0.00 0.00 175.35 175.72 1p2q n ASN 204 N 4.66 -5.82 0.00 1.43 3.02 -1.26 -1.86 115.26 115.43 1p2q n ASN 204 Ca -0.06 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 1p2q n ASN 204 Cb 0.43 -4.60 0.00 0.00 -0.61 0.00 0.00 39.78 35.00 1p2q n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p2q n GLY 205 N -1.88 1.84 3.62 7.41 0.00 -1.26 -5.04 105.19 109.89 1p2q n GLY 205 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1p2q n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p2q s ALA 206 N -2.88 3.23 -0.04 4.61 0.00 -0.78 -4.93 121.76 120.98 1p2q s ALA 206 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 50.87 1p2q s ALA 206 Cb 0.00 -1.59 -0.06 0.00 0.00 0.00 0.00 23.12 21.47 1p2q s ALA 206 CO 0.00 0.40 1.59 -1.58 0.00 0.00 0.00 175.76 176.17 1p2q s TRP 207 N -0.28 2.22 -0.03 0.00 0.52 -0.25 -0.25 118.94 120.88 1p2q s TRP 207 Ca 0.06 0.35 0.07 0.00 0.02 0.00 0.00 56.10 56.61 1p2q s TRP 207 Cb -0.12 -3.86 -0.02 0.00 -1.15 0.00 0.00 33.47 28.32 1p2q s TRP 207 CO 0.02 -3.51 -0.25 0.99 0.02 0.00 0.00 176.95 174.22 1p2q s THR 208 N 3.57 1.99 -0.41 2.01 2.01 0.54 -2.28 115.64 123.07 1p2q s THR 208 Ca 0.71 -1.07 -0.28 0.00 0.31 0.00 0.00 61.69 61.36 1p2q s THR 208 Cb -0.33 -1.66 -0.00 0.00 0.01 0.00 0.00 72.50 70.52 1p2q s THR 208 CO 0.28 0.56 1.56 -0.22 -0.69 0.00 0.00 174.62 176.12 1p2q s LEU 209 N -0.48 3.52 -0.19 4.42 2.96 0.29 -1.56 118.68 127.64 1p2q s LEU 209 Ca 0.06 0.90 0.18 0.00 -0.22 0.00 0.00 54.13 55.05 1p2q s LEU 209 Cb -0.11 -3.43 -0.24 0.00 0.50 0.00 0.00 46.19 42.91 1p2q s LEU 209 CO 0.00 -1.60 0.07 0.52 -1.32 0.00 0.00 176.35 174.02 1p2q n VAL 210 N 7.18 1.33 -3.96 1.68 0.31 -0.28 -4.24 118.33 120.35 1p2q n VAL 210 Ca 0.18 -0.83 -0.09 0.00 -0.01 0.00 0.00 64.34 63.59 1p2q n VAL 210 Cb 0.48 -0.47 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 1p2q n VAL 210 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1p2q s GLY 211 N -5.41 0.47 -0.11 2.92 0.00 -0.74 -1.76 107.32 102.70 1p2q s GLY 211 Ca -0.10 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 43.73 1p2q s GLY 211 CO 0.81 -0.89 -0.16 -0.42 0.00 0.00 0.00 173.10 172.44 1p2q s ILE 212 N -3.96 1.52 -0.05 0.90 1.01 -0.87 -1.37 121.20 118.39 1p2q s ILE 212 Ca 0.16 -0.66 -0.37 0.00 0.00 0.00 0.00 60.65 59.78 1p2q s ILE 212 Cb 0.04 -1.38 -0.15 0.00 0.01 0.00 0.00 42.46 40.98 1p2q s ILE 212 CO -0.02 0.44 1.61 0.52 0.00 0.00 0.00 174.94 177.50 1p2q n VAL 213 N 4.13 0.20 0.00 2.92 0.31 -0.35 -1.00 118.33 124.55 1p2q n VAL 213 Ca -0.19 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1p2q n VAL 213 Cb 0.51 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 1p2q n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1p2q n SER 214 N 4.34 0.00 -3.48 4.52 2.88 -1.10 -1.20 113.62 119.58 1p2q n SER 214 Ca 0.21 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.63 1p2q n SER 214 Cb 0.21 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.63 1p2q n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1p2q s TRP 215 N -0.63 0.71 -1.46 0.66 1.48 -0.56 -4.91 118.94 114.23 1p2q s TRP 215 Ca 0.00 -1.05 0.00 0.00 -1.06 0.00 0.00 56.10 53.99 1p2q s TRP 215 Cb 0.00 0.11 0.00 0.00 -1.16 0.00 0.00 33.47 32.42 1p2q s TRP 215 CO 0.00 -1.13 0.00 0.41 -4.06 0.00 0.00 176.95 172.17 1p2q n GLY 216 N -0.49 -0.73 3.64 3.67 0.00 -1.26 -0.29 105.19 109.73 1p2q n GLY 216 Ca -0.01 -0.37 -0.47 0.00 0.00 0.00 0.00 46.02 45.17 1p2q n GLY 216 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1p2q n SER 217 N 0.00 2.36 0.00 1.61 2.88 -1.26 -4.85 113.62 114.35 1p2q n SER 217 Ca 0.00 1.13 0.08 0.00 -1.33 0.00 0.00 58.87 58.75 1p2q n SER 217 Cb 0.00 -1.35 0.38 0.00 -0.75 0.00 0.00 64.21 62.49 1p2q n SER 217 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1p2q n SER 218 N 2.42 0.00 -0.04 -3.46 7.64 -1.26 -2.16 113.62 116.77 1p2q n SER 218 Ca 0.14 0.37 0.03 0.00 1.01 0.00 0.00 58.87 60.42 1p2q n SER 218 Cb 0.28 -0.44 0.04 0.00 -1.01 0.00 0.00 64.21 63.08 1p2q n SER 218 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1p2q n THR 219 N -1.44 1.17 -3.75 0.44 -2.24 -1.26 -5.00 114.28 102.20 1p2q n THR 219 Ca 0.05 -1.28 -0.26 0.00 -2.27 0.00 0.00 64.05 60.29 1p2q n THR 219 Cb 0.18 0.31 0.05 0.00 -2.10 0.00 0.00 70.33 68.77 1p2q n THR 219 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p2q s SER 221 N -3.50 6.68 0.00 0.00 0.15 -1.26 -4.76 113.70 111.01 1p2q s SER 221 Ca 0.52 2.54 0.25 0.00 0.70 0.00 0.00 55.95 59.96 1p2q s SER 221 Cb -0.25 -2.60 1.32 0.00 -1.71 0.00 0.00 66.02 62.78 1p2q s SER 221 CO 0.79 -0.73 1.85 0.35 1.20 0.00 0.00 173.24 176.69 1p2q n THR 222 N 3.48 0.16 -0.31 6.45 -2.24 -1.26 -2.72 114.28 117.83 1p2q n THR 222 Ca 0.11 0.04 0.08 0.00 -2.27 0.00 0.00 64.05 62.01 1p2q n THR 222 Cb 0.40 -0.63 0.22 0.00 -2.10 0.00 0.00 70.33 68.23 1p2q n THR 222 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1p2q n SER 223 N -1.22 3.42 -4.46 3.42 3.41 -1.26 -1.18 113.62 115.75 1p2q n SER 223 Ca 0.14 -2.08 -0.31 0.00 -0.26 0.00 0.00 58.87 56.35 1p2q n SER 223 Cb 0.17 -0.35 -0.13 0.00 -0.26 0.00 0.00 64.21 63.64 1p2q n SER 223 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1p2q s THR 224 N -1.15 2.86 0.25 6.66 2.01 -1.10 -4.77 115.64 120.39 1p2q s THR 224 Ca 0.34 -1.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.02 1p2q s THR 224 Cb 0.19 -2.17 -0.10 0.00 0.01 0.00 0.00 72.50 70.43 1p2q s THR 224 CO 0.21 0.43 1.38 -2.84 -0.69 0.00 0.00 174.62 173.11 1p2q s PRO 225 N -1.17 4.32 0.19 4.92 0.02 -1.26 -2.80 135.00 139.22 1p2q s PRO 225 Ca 0.14 2.21 -0.17 0.00 0.02 0.00 0.00 61.00 63.20 1p2q s PRO 225 Cb -0.11 -3.13 -0.08 0.00 0.02 0.00 0.00 34.50 31.21 1p2q s PRO 225 CO 0.04 -0.33 0.64 0.20 -0.33 0.00 0.00 177.00 177.22 1p2q s GLY 226 N 0.21 2.52 -0.15 0.52 0.00 0.41 -4.49 107.32 106.34 1p2q s GLY 226 Ca 0.57 0.01 -0.01 0.00 0.00 0.00 0.00 44.72 45.29 1p2q s GLY 226 CO 0.43 0.32 -0.12 0.14 0.00 0.00 0.00 173.10 173.88 1p2q s VAL 227 N -1.53 3.06 0.22 1.40 1.01 0.61 -1.43 120.40 123.74 1p2q s VAL 227 Ca 0.41 -0.64 0.11 0.00 0.00 0.00 0.00 61.98 61.86 1p2q s VAL 227 Cb -0.15 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 1p2q s VAL 227 CO 0.20 0.51 -0.21 -0.31 0.00 0.00 0.00 175.10 175.28 1p2q s TYR 228 N 0.62 2.33 0.06 5.22 1.51 0.81 -1.50 117.35 126.40 1p2q s TYR 228 Ca -0.07 -0.34 -0.31 0.00 -1.01 0.00 0.00 57.07 55.35 1p2q s TYR 228 Cb -0.15 -1.10 -0.06 0.00 -0.11 0.00 0.00 41.96 40.53 1p2q s TYR 228 CO 0.03 0.57 1.25 0.00 -1.11 0.00 0.00 175.55 176.29 1p2q s ALA 229 N -1.95 3.45 -0.61 3.71 0.00 -0.17 -0.33 121.76 125.87 1p2q s ALA 229 Ca 0.24 0.90 -0.28 0.00 0.00 0.00 0.00 51.96 52.82 1p2q s ALA 229 Cb -0.07 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.59 1p2q s ALA 229 CO 0.12 -0.52 1.29 0.50 0.00 0.00 0.00 175.76 177.15 1p2q s ARG 230 N 1.23 3.37 0.41 0.00 3.52 0.91 -2.06 118.95 126.33 1p2q s ARG 230 Ca 0.60 0.22 0.08 0.00 -0.13 0.00 0.00 55.73 56.50 1p2q s ARG 230 Cb -0.31 -4.09 0.86 0.00 -1.56 0.00 0.00 34.95 29.86 1p2q s ARG 230 CO 0.29 -1.88 2.05 0.28 -0.81 0.00 0.00 175.30 175.23 1p2q h VAL 231 N 6.21 1.11 -0.01 7.11 2.07 -1.63 -2.07 116.25 129.04 1p2q h VAL 231 Ca -0.26 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 1p2q h VAL 231 Cb 1.07 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1p2q h VAL 231 CO 1.20 0.11 -0.10 0.71 0.02 0.00 0.00 177.57 179.52 1p2q h THR 232 N 0.50 1.08 -0.00 2.57 1.35 -1.86 0.42 112.91 116.97 1p2q h THR 232 Ca 0.13 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1p2q h THR 232 Cb -0.01 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1p2q h THR 232 CO -0.02 0.11 -0.17 0.00 -0.25 0.00 0.00 175.52 175.18 1p2q n ALA 233 N -2.52 2.78 -0.03 6.62 0.00 -0.79 -3.94 120.51 122.63 1p2q n ALA 233 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1p2q n ALA 233 Cb 0.18 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1p2q n ALA 233 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1p2q n LEU 234 N -1.44 0.29 0.14 0.00 4.77 -0.41 -4.76 117.00 115.59 1p2q n LEU 234 Ca 0.07 -0.60 0.03 0.00 -0.03 0.00 0.00 56.01 55.49 1p2q n LEU 234 Cb 0.33 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 41.84 1p2q n LEU 234 CO 0.29 0.07 0.90 1.62 -1.33 0.00 0.00 177.39 178.95 1p2q h VAL 235 N 0.03 1.16 -0.75 4.08 3.04 -0.34 -2.00 116.25 121.47 1p2q h VAL 235 Ca 0.00 -0.72 -0.05 0.00 -1.01 0.00 0.00 66.70 64.92 1p2q h VAL 235 Cb 0.01 1.22 -0.03 0.00 -2.01 0.00 0.00 31.29 30.48 1p2q h VAL 235 CO 0.00 0.22 0.27 0.78 -1.01 0.00 0.00 177.57 177.83 1p2q h ASN 236 N 0.17 1.06 -0.36 3.17 -0.26 -1.85 0.11 115.58 117.62 1p2q h ASN 236 Ca 0.04 -0.18 -0.07 0.00 -0.56 0.00 0.00 56.30 55.52 1p2q h ASN 236 Cb 0.35 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.31 1p2q h ASN 236 CO 0.02 0.96 -0.03 -0.25 -1.06 0.00 0.00 177.43 177.08 1p2q h TRP 237 N 1.11 0.81 0.16 1.19 7.01 -1.73 -1.32 115.95 123.17 1p2q h TRP 237 Ca 0.25 -0.12 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 1p2q h TRP 237 Cb 0.26 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.10 1p2q h TRP 237 CO 0.02 0.77 -0.08 0.28 -2.79 0.00 0.00 178.44 176.64 1p2q h VAL 238 N 0.70 0.94 -0.86 2.65 2.07 -0.59 -1.43 116.25 119.73 1p2q h VAL 238 Ca 0.13 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.25 1p2q h VAL 238 Cb 0.47 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1p2q h VAL 238 CO 0.02 0.10 0.57 1.56 0.02 0.00 0.00 177.57 179.84 1p2q h GLN 239 N -0.41 1.11 -0.72 1.57 1.08 -0.71 -1.40 115.11 115.64 1p2q h GLN 239 Ca -0.02 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 1p2q h GLN 239 Cb 0.32 -0.25 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 1p2q h GLN 239 CO 0.04 0.74 0.33 1.96 -0.95 0.00 0.00 178.83 180.94 1p2q h GLN 240 N 1.15 1.04 -0.50 1.46 4.20 -1.18 -1.04 115.11 120.25 1p2q h GLN 240 Ca 0.32 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.78 1p2q h GLN 240 Cb -0.10 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.48 1p2q h GLN 240 CO -0.08 0.83 -0.02 1.15 -0.67 0.00 0.00 178.83 180.04 1p2q h THR 241 N 1.01 1.26 -0.27 -0.54 2.02 -0.74 -1.86 112.91 113.79 1p2q h THR 241 Ca 0.24 -1.11 -0.03 0.00 0.77 0.00 0.00 66.41 66.28 1p2q h THR 241 Cb 0.14 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1p2q h THR 241 CO -0.03 0.39 0.04 -0.07 0.37 0.00 0.00 175.52 176.22 1p2q h LEU 242 N 0.76 0.44 -1.12 2.58 3.38 -1.07 -2.36 115.31 117.92 1p2q h LEU 242 Ca 0.14 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.89 1p2q h LEU 242 Cb 0.55 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 1p2q h LEU 242 CO 0.03 0.60 0.60 0.00 0.09 0.00 0.00 178.44 179.76 1p2q h ALA 243 N 0.86 1.45 -0.00 1.53 0.00 -1.11 -1.78 119.26 120.21 1p2q h ALA 243 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1p2q h ALA 243 Cb 0.35 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1p2q h ALA 243 CO 0.01 0.45 -0.08 0.00 0.00 0.00 0.00 179.25 179.62 1p2q n ALA 244 N -2.39 2.67 -0.91 0.00 0.00 -0.71 -5.10 120.51 114.06 1p2q n ALA 244 Ca 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1p2q n ALA 244 Cb 0.14 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1p2q n ALA 244 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59