#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wht h VAL 3 N 0.00 1.18 -3.62 0.44 2.07 -1.99 -3.39 116.25 110.95 2wht h VAL 3 Ca 0.00 -0.41 -0.68 0.00 0.82 0.00 0.00 66.70 66.42 2wht h VAL 3 Cb 0.00 0.36 -0.25 0.00 -1.52 0.00 0.00 31.29 29.88 2wht h VAL 3 CO 0.00 0.19 -0.59 -0.63 0.02 0.00 0.00 177.57 176.56 2wht s ILE 4 N -5.96 4.19 0.67 4.57 1.01 -1.26 -4.92 121.20 119.49 2wht s ILE 4 Ca -0.13 -0.68 -0.09 0.00 0.00 0.00 0.00 60.65 59.74 2wht s ILE 4 Cb 0.13 -3.19 0.01 0.00 0.01 0.00 0.00 42.46 39.42 2wht s ILE 4 CO 0.77 0.01 1.03 0.00 0.00 0.00 0.00 174.94 176.75 2wht s ALA 5 N 1.53 3.04 0.38 9.38 0.00 -1.26 -4.97 121.76 129.86 2wht s ALA 5 Ca 0.03 -0.48 0.27 0.00 0.00 0.00 0.00 51.96 51.78 2wht s ALA 5 Cb -0.18 -2.87 1.38 0.00 0.00 0.00 0.00 23.12 21.45 2wht s ALA 5 CO 0.04 -1.03 2.04 0.87 0.00 0.00 0.00 175.76 177.69 2wht h LYS 6 N -0.49 0.00 -4.20 0.00 1.57 -1.97 -3.40 116.57 108.08 2wht h LYS 6 Ca -0.45 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 57.83 2wht h LYS 6 Cb 1.26 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.20 2wht h LYS 6 CO 0.63 0.13 -0.80 -1.14 -0.57 0.00 0.00 179.45 177.70 2wht s GLN 7 N -4.14 1.37 0.12 3.15 2.00 -1.26 -4.07 119.66 116.82 2wht s GLN 7 Ca -0.02 -0.22 0.03 0.00 -2.00 0.00 0.00 55.36 53.14 2wht s GLN 7 Cb 0.13 -1.40 -0.04 0.00 0.80 0.00 0.00 33.01 32.50 2wht s GLN 7 CO 0.59 -0.20 -0.08 -1.64 -0.50 0.00 0.00 175.29 173.46 2wht s MET 8 N 1.47 0.95 0.45 1.67 -1.94 -0.61 -5.02 119.30 116.27 2wht s MET 8 Ca -0.00 -1.39 0.05 0.00 -1.71 0.00 0.00 55.69 52.64 2wht s MET 8 Cb -0.13 -0.42 -0.04 0.00 2.01 0.00 0.00 34.83 36.25 2wht s MET 8 CO -0.05 0.03 0.09 0.95 -0.01 0.00 0.00 175.02 176.03 2wht s THR 9 N -3.45 1.79 0.17 2.05 -4.23 -0.53 -1.51 115.64 109.92 2wht s THR 9 Ca 0.14 -1.88 -0.13 0.00 -1.18 0.00 0.00 61.69 58.65 2wht s THR 9 Cb 0.04 -2.66 0.01 0.00 1.34 0.00 0.00 72.50 71.22 2wht s THR 9 CO -0.02 0.00 0.37 -0.72 -0.54 0.00 0.00 174.62 173.71 2wht s TYR 10 N -2.74 0.13 -0.08 3.99 -0.85 -0.29 -1.33 117.35 116.19 2wht s TYR 10 Ca 0.27 -0.49 0.03 0.00 -0.52 0.00 0.00 57.07 56.36 2wht s TYR 10 Cb 0.05 0.14 0.01 0.00 0.38 0.00 0.00 41.96 42.53 2wht s TYR 10 CO 0.15 -0.78 -0.18 0.21 -1.52 0.00 0.00 175.55 173.43 2wht s LYS 11 N -3.91 2.30 -0.07 -3.49 2.47 0.22 -0.79 119.74 116.47 2wht s LYS 11 Ca 0.12 -0.64 0.04 0.00 -1.56 0.00 0.00 55.97 53.94 2wht s LYS 11 Cb 0.02 -1.81 -0.00 0.00 -1.46 0.00 0.00 37.83 34.57 2wht s LYS 11 CO -0.03 0.12 -0.22 0.54 0.16 0.00 0.00 175.35 175.92 2wht s VAL 12 N 0.45 1.83 -0.25 4.02 0.11 -0.64 -0.80 120.40 125.12 2wht s VAL 12 Ca -0.15 -0.91 -0.02 0.00 -2.93 0.00 0.00 61.98 57.96 2wht s VAL 12 Cb -0.16 -1.57 0.02 0.00 -1.53 0.00 0.00 36.38 33.13 2wht s VAL 12 CO 0.06 0.51 -0.05 -0.31 -3.33 0.00 0.00 175.10 171.98 2wht s TYR 13 N 0.17 3.05 -0.00 1.54 1.51 0.20 -1.03 117.35 122.79 2wht s TYR 13 Ca -0.11 -1.41 0.05 0.00 -1.01 0.00 0.00 57.07 54.59 2wht s TYR 13 Cb -0.15 -2.08 -0.03 0.00 -0.11 0.00 0.00 41.96 39.59 2wht s TYR 13 CO 0.05 -0.69 -0.15 1.41 -1.11 0.00 0.00 175.55 175.07 2wht s MET 14 N 1.36 2.32 0.02 -0.62 1.75 0.28 -0.25 119.30 124.16 2wht s MET 14 Ca 0.01 -0.82 -0.07 0.00 -1.25 0.00 0.00 55.69 53.56 2wht s MET 14 Cb -0.16 -2.31 -0.00 0.00 2.84 0.00 0.00 34.83 35.19 2wht s MET 14 CO -0.04 0.58 0.13 -1.54 -0.65 0.00 0.00 175.02 173.50 2wht s SER 15 N -1.14 0.07 0.00 1.11 1.04 -0.60 -1.29 113.70 112.89 2wht s SER 15 Ca 0.14 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.25 2wht s SER 15 Cb -0.11 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2wht s SER 15 CO 0.04 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.45 2wht n GLY 16 N 1.22 -1.38 2.90 7.32 0.00 -0.76 -1.40 105.19 113.09 2wht n GLY 16 Ca -0.22 -0.98 -0.18 0.00 0.00 0.00 0.00 46.02 44.64 2wht n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wht s THR 17 N -2.78 0.44 -0.13 2.61 2.01 -0.78 -1.05 115.64 115.97 2wht s THR 17 Ca 0.00 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.88 2wht s THR 17 Cb 0.00 -0.45 0.02 0.00 0.01 0.00 0.00 72.50 72.09 2wht s THR 17 CO 0.00 0.18 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.30 2wht s VAL 18 N 0.59 1.34 -1.60 3.82 1.01 -0.33 -0.60 120.40 124.63 2wht s VAL 18 Ca -0.07 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 2wht s VAL 18 Cb -0.11 -1.28 0.11 0.00 0.00 0.00 0.00 36.38 35.10 2wht s VAL 18 CO -0.00 0.42 0.75 0.59 0.00 0.00 0.00 175.10 176.86 2wht n ASN 19 N 4.76 -2.99 0.00 3.32 4.13 0.08 -1.15 115.26 123.42 2wht n ASN 19 Ca -0.16 -0.96 0.00 0.00 1.68 0.00 0.00 54.58 55.15 2wht n ASN 19 Cb 0.50 -3.09 0.00 0.00 -1.54 0.00 0.00 39.78 35.65 2wht n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wht n GLY 20 N -1.59 2.20 3.57 7.41 0.00 -1.26 -5.00 105.19 110.52 2wht n GLY 20 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2wht n GLY 20 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wht s HIS 21 N -3.23 3.13 0.25 1.61 5.04 -0.30 -5.02 115.29 116.76 2wht s HIS 21 Ca 0.00 0.40 -0.29 0.00 -1.54 0.00 0.00 55.06 53.63 2wht s HIS 21 Cb 0.00 -3.27 -0.09 0.00 0.04 0.00 0.00 32.58 29.26 2wht s HIS 21 CO 0.00 -0.69 0.93 -0.47 -2.34 0.00 0.00 174.74 172.17 2wht s TYR 22 N 2.89 3.95 0.16 3.88 5.04 -1.26 -1.18 117.35 130.82 2wht s TYR 22 Ca 0.27 1.89 -0.13 0.00 -2.44 0.00 0.00 57.07 56.66 2wht s TYR 22 Cb -0.14 -2.96 0.01 0.00 0.35 0.00 0.00 41.96 39.22 2wht s TYR 22 CO 0.16 0.43 0.37 -0.59 -1.34 0.00 0.00 175.55 174.58 2wht s PHE 23 N -1.23 0.08 0.04 4.97 -0.12 -0.21 -4.22 117.98 117.28 2wht s PHE 23 Ca 0.42 -0.44 0.02 0.00 -0.05 0.00 0.00 56.93 56.88 2wht s PHE 23 Cb -0.25 0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 42.27 2wht s PHE 23 CO 0.31 -0.76 -0.07 -1.21 -0.05 0.00 0.00 175.22 173.44 2wht s GLU 24 N -3.89 0.50 -0.01 1.99 2.02 -0.41 -1.83 118.70 117.07 2wht s GLU 24 Ca 0.10 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.42 2wht s GLU 24 Cb 0.02 -0.28 -0.01 0.00 0.10 0.00 0.00 34.13 33.97 2wht s GLU 24 CO -0.05 0.05 -0.07 0.08 0.02 0.00 0.00 175.26 175.29 2wht s VAL 25 N -1.26 0.57 0.04 2.63 1.01 -0.41 -0.68 120.40 122.30 2wht s VAL 25 Ca -0.09 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 61.64 2wht s VAL 25 Cb -0.09 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 2wht s VAL 25 CO 0.00 0.16 -0.16 -1.61 0.00 0.00 0.00 175.10 173.49 2wht s GLU 26 N -0.17 1.10 0.02 2.72 2.02 -0.09 -0.56 118.70 123.73 2wht s GLU 26 Ca 0.03 -0.80 -0.02 0.00 0.02 0.00 0.00 54.97 54.19 2wht s GLU 26 Cb -0.03 -1.14 -0.01 0.00 0.10 0.00 0.00 34.13 33.05 2wht s GLU 26 CO -0.00 0.29 0.02 0.20 0.02 0.00 0.00 175.26 175.79 2wht s GLY 27 N -1.10 0.19 -0.17 -1.39 0.00 -0.20 -0.07 107.32 104.58 2wht s GLY 27 Ca 0.04 -0.48 0.01 0.00 0.00 0.00 0.00 44.72 44.28 2wht s GLY 27 CO 0.01 -0.58 -0.18 0.99 0.00 0.00 0.00 173.10 173.35 2wht s ASP 28 N -1.51 2.96 0.38 1.64 1.01 -0.25 -1.62 116.67 119.27 2wht s ASP 28 Ca -0.15 -0.59 0.08 0.00 0.71 0.00 0.00 52.55 52.61 2wht s ASP 28 Cb -0.08 -1.37 -0.06 0.00 1.01 0.00 0.00 42.92 42.42 2wht s ASP 28 CO -0.01 -0.02 0.04 -0.83 0.21 0.00 0.00 175.17 174.56 2wht s GLY 29 N 1.34 2.26 0.16 0.21 0.00 0.03 -0.96 107.32 110.36 2wht s GLY 29 Ca 0.04 -2.10 -0.23 0.00 0.00 0.00 0.00 44.72 42.43 2wht s GLY 29 CO -0.12 -1.97 0.66 -1.59 0.00 0.00 0.00 173.10 170.09 2wht s LYS 30 N -3.75 1.31 0.00 2.90 -2.85 -0.05 -1.13 119.74 116.17 2wht s LYS 30 Ca 0.36 -0.55 0.00 0.00 -1.00 0.00 0.00 55.97 54.78 2wht s LYS 30 Cb 0.04 0.56 0.00 0.00 -2.06 0.00 0.00 37.83 36.37 2wht s LYS 30 CO 0.19 -0.58 0.00 0.41 0.10 0.00 0.00 175.35 175.47 2wht n GLY 31 N -0.38 -1.27 2.90 0.59 0.00 -0.57 -0.79 105.19 105.67 2wht n GLY 31 Ca -0.13 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 2wht n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wht s LYS 32 N -1.03 1.32 0.29 1.61 1.02 -0.25 -1.58 119.74 121.12 2wht s LYS 32 Ca 0.00 -1.77 0.03 0.00 0.02 0.00 0.00 55.97 54.24 2wht s LYS 32 Cb 0.00 -2.81 0.65 0.00 -0.52 0.00 0.00 37.83 35.15 2wht s LYS 32 CO 0.00 -1.00 1.77 -1.35 -0.92 0.00 0.00 175.35 173.85 2wht h PRO 33 N 7.51 0.68 -0.00 -1.68 0.11 -1.79 -1.39 132.00 135.42 2wht h PRO 33 Ca -0.07 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.00 2wht h PRO 33 Cb 0.99 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2wht h PRO 33 CO 0.53 0.45 -0.03 0.66 -0.21 0.00 0.00 178.00 179.39 2wht n TYR 34 N -4.82 0.00 0.75 0.65 4.01 -1.26 -3.07 117.16 113.42 2wht n TYR 34 Ca 0.21 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 58.02 2wht n TYR 34 Cb 0.51 -0.35 -0.08 0.00 -0.31 0.00 0.00 39.34 39.11 2wht n TYR 34 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2wht n GLU 35 N -1.34 1.74 -1.15 -0.72 -0.58 -0.58 -4.67 120.64 113.34 2wht n GLU 35 Ca 0.11 -0.06 -0.05 0.00 -0.42 0.00 0.00 57.16 56.75 2wht n GLU 35 Cb 0.28 -1.25 -0.02 0.00 -0.57 0.00 0.00 31.44 29.88 2wht n GLU 35 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wht n GLY 36 N 1.36 0.77 3.47 0.62 0.00 -0.86 -4.61 105.19 105.93 2wht n GLY 36 Ca 0.03 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 2wht n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wht s GLU 37 N -2.38 3.11 0.17 1.61 2.02 -1.17 -1.24 118.70 120.83 2wht s GLU 37 Ca 0.00 -0.62 -0.18 0.00 0.02 0.00 0.00 54.97 54.19 2wht s GLU 37 Cb 0.00 -2.62 0.04 0.00 0.10 0.00 0.00 34.13 31.64 2wht s GLU 37 CO 0.00 0.41 0.51 1.14 0.02 0.00 0.00 175.26 177.34 2wht s GLN 38 N -0.15 1.29 0.06 1.61 -2.07 -0.68 -1.08 119.66 118.64 2wht s GLN 38 Ca 0.01 -0.75 -0.00 0.00 -1.82 0.00 0.00 55.36 52.79 2wht s GLN 38 Cb -0.13 0.52 -0.04 0.00 -1.09 0.00 0.00 33.01 32.27 2wht s GLN 38 CO 0.03 -0.54 -0.04 0.95 -1.32 0.00 0.00 175.29 174.37 2wht s THR 39 N -3.83 0.33 -0.06 3.63 -4.23 0.03 -1.54 115.64 109.97 2wht s THR 39 Ca 0.06 -1.75 -0.13 0.00 -1.18 0.00 0.00 61.69 58.69 2wht s THR 39 Cb -0.00 -1.43 0.03 0.00 1.34 0.00 0.00 72.50 72.43 2wht s THR 39 CO -0.07 -0.91 0.32 0.54 -0.54 0.00 0.00 174.62 173.95 2wht s VAL 40 N -3.58 0.03 -0.19 2.29 0.11 -0.31 -0.87 120.40 117.88 2wht s VAL 40 Ca 0.06 -0.29 -0.01 0.00 -2.93 0.00 0.00 61.98 58.81 2wht s VAL 40 Cb 0.05 -0.55 0.01 0.00 -1.53 0.00 0.00 36.38 34.36 2wht s VAL 40 CO -0.08 -0.16 -0.13 -0.54 -3.33 0.00 0.00 175.10 170.86 2wht s LYS 41 N -0.72 3.17 0.08 1.54 1.02 -0.14 -1.28 119.74 123.42 2wht s LYS 41 Ca -0.08 -0.74 0.05 0.00 0.02 0.00 0.00 55.97 55.22 2wht s LYS 41 Cb -0.04 -2.74 -0.04 0.00 -0.52 0.00 0.00 37.83 34.49 2wht s LYS 41 CO 0.03 -0.16 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.74 2wht s LEU 42 N 1.26 3.29 -0.07 3.17 2.01 0.11 -1.10 118.68 127.35 2wht s LEU 42 Ca 0.03 -0.23 -0.00 0.00 0.01 0.00 0.00 54.13 53.94 2wht s LEU 42 Cb -0.14 -2.02 0.02 0.00 0.01 0.00 0.00 46.19 44.07 2wht s LEU 42 CO -0.07 0.20 -0.04 -0.89 1.01 0.00 0.00 176.35 176.55 2wht s THR 43 N -1.23 0.65 -0.27 5.49 2.01 0.89 -2.11 115.64 121.07 2wht s THR 43 Ca 0.23 -0.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.83 2wht s THR 43 Cb -0.11 -0.71 0.01 0.00 0.01 0.00 0.00 72.50 71.69 2wht s THR 43 CO 0.15 0.28 1.17 -0.69 -0.69 0.00 0.00 174.62 174.84 2wht s VAL 44 N 1.46 4.39 -0.06 3.82 1.01 -0.52 -0.92 120.40 129.59 2wht s VAL 44 Ca -0.02 1.62 0.17 0.00 0.00 0.00 0.00 61.98 63.76 2wht s VAL 44 Cb -0.13 -4.25 -0.26 0.00 0.00 0.00 0.00 36.38 31.74 2wht s VAL 44 CO -0.03 -0.37 0.39 0.35 0.00 0.00 0.00 175.10 175.44 2wht n THR 45 N 5.78 0.00 -3.82 3.92 -2.24 0.15 -4.82 114.28 113.25 2wht n THR 45 Ca 0.13 -0.38 -0.12 0.00 -2.27 0.00 0.00 64.05 61.41 2wht n THR 45 Cb 0.46 0.14 -0.10 0.00 -2.10 0.00 0.00 70.33 68.73 2wht n THR 45 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2wht s LYS 46 N -3.17 0.42 0.00 -0.78 2.20 -1.02 -4.90 119.74 112.49 2wht s LYS 46 Ca -0.06 -0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.50 2wht s LYS 46 Cb 0.11 0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.62 2wht s LYS 46 CO 0.71 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 176.02 2wht n GLY 47 N 2.06 0.89 3.87 5.54 0.00 -1.26 -1.29 105.19 115.00 2wht n GLY 47 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 2wht n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wht s GLY 48 N -1.90 1.78 0.28 -0.02 0.00 -1.26 -3.98 107.32 102.22 2wht s GLY 48 Ca 0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 44.72 44.28 2wht s GLY 48 CO 0.00 0.08 1.29 2.56 0.00 0.00 0.00 173.10 177.03 2wht s PRO 49 N -4.51 4.40 0.24 2.90 0.04 -1.26 -5.09 135.00 131.71 2wht s PRO 49 Ca 0.53 2.12 -0.30 0.00 0.04 0.00 0.00 61.00 63.39 2wht s PRO 49 Cb -0.10 -3.12 -0.10 0.00 0.04 0.00 0.00 34.50 31.22 2wht s PRO 49 CO 0.41 -0.16 1.42 -0.51 0.04 0.00 0.00 177.00 178.21 2wht s LEU 50 N -1.22 4.39 0.00 -3.56 1.43 -1.26 -4.92 118.68 113.55 2wht s LEU 50 Ca 0.51 2.62 0.04 0.00 -1.03 0.00 0.00 54.13 56.27 2wht s LEU 50 Cb -0.38 -3.62 0.15 0.00 0.03 0.00 0.00 46.19 42.38 2wht s LEU 50 CO 0.47 -0.68 1.11 -0.81 0.23 0.00 0.00 176.35 176.67 2wht n PRO 51 N 2.44 1.15 -4.27 1.29 -0.04 -1.26 -4.89 135.00 129.42 2wht n PRO 51 Ca 0.07 -0.23 -0.15 0.00 -0.04 0.00 0.00 63.50 63.16 2wht n PRO 51 Cb 0.41 -1.08 -0.10 0.00 -0.04 0.00 0.00 33.50 32.69 2wht n PRO 51 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2wht s PHE 52 N -1.92 1.32 0.07 0.54 -0.12 -1.26 -4.75 117.98 111.86 2wht s PHE 52 Ca 0.07 -0.96 -0.30 0.00 -0.05 0.00 0.00 56.93 55.69 2wht s PHE 52 Cb 0.03 -0.75 -0.09 0.00 -0.63 0.00 0.00 43.02 41.58 2wht s PHE 52 CO 0.05 -0.12 1.89 0.00 -0.05 0.00 0.00 175.22 176.99 2wht s ALA 53 N -3.54 3.66 0.42 1.99 0.00 -0.45 -4.88 121.76 118.96 2wht s ALA 53 Ca 0.24 1.36 0.23 0.00 0.00 0.00 0.00 51.96 53.79 2wht s ALA 53 Cb 0.05 -3.80 1.23 0.00 0.00 0.00 0.00 23.12 20.60 2wht s ALA 53 CO 0.05 -1.41 1.73 2.35 0.00 0.00 0.00 175.76 178.48 2wht h TRP 54 N 9.67 0.57 -0.69 0.00 2.91 -1.95 -2.71 115.95 123.75 2wht h TRP 54 Ca -0.48 0.02 0.19 0.00 1.13 0.00 0.00 58.89 59.76 2wht h TRP 54 Cb 1.23 -0.16 -0.03 0.00 -0.51 0.00 0.00 29.16 29.69 2wht h TRP 54 CO 0.88 -0.02 0.49 -0.44 -1.03 0.00 0.00 178.44 178.32 2wht h ASP 55 N 0.27 0.05 0.90 2.65 3.32 -1.95 0.15 116.42 121.81 2wht h ASP 55 Ca 0.66 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.67 2wht h ASP 55 Cb 1.87 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 41.41 2wht h ASP 55 CO -0.31 0.02 -0.21 0.16 -1.72 0.00 0.00 179.24 177.18 2wht h ILE 56 N 0.05 0.54 0.00 0.35 3.07 -1.88 -3.05 117.51 116.59 2wht h ILE 56 Ca 0.33 -1.07 -0.14 0.00 1.55 0.00 0.00 64.86 65.53 2wht h ILE 56 Cb 1.24 1.74 -0.02 0.00 -0.27 0.00 0.00 36.82 39.50 2wht h ILE 56 CO -0.02 0.21 -0.72 -0.07 -1.05 0.00 0.00 178.15 176.49 2wht h LEU 57 N 0.00 0.00 -0.94 0.16 3.38 -0.91 -3.41 115.31 113.59 2wht h LEU 57 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2wht h LEU 57 Cb 0.72 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 2wht h LEU 57 CO 0.03 0.64 0.62 0.77 0.09 0.00 0.00 178.44 180.59 2wht h SER 58 N 0.00 1.07 0.00 -0.43 4.64 -1.41 -0.27 113.55 117.15 2wht h SER 58 Ca -0.02 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2wht h SER 58 Cb 1.51 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2wht h SER 58 CO 0.08 0.77 0.00 -2.65 -0.87 0.00 0.00 176.83 174.16 2wht n PRO 59 N -4.44 0.67 0.00 4.77 -0.02 -1.26 -2.14 135.00 132.58 2wht n PRO 59 Ca 0.11 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.69 2wht n PRO 59 Cb 0.02 -1.49 -0.04 0.00 -0.02 0.00 0.00 33.50 31.97 2wht n PRO 59 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wht n GLN 60 N -0.99 1.13 -1.61 -0.52 1.13 -0.12 -4.82 117.38 111.58 2wht n GLN 60 Ca 0.16 -0.62 -0.37 0.00 -1.94 0.00 0.00 57.00 54.23 2wht n GLN 60 Cb 0.07 -1.41 0.06 0.00 0.11 0.00 0.00 30.24 29.07 2wht n GLN 60 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2wht n LEU 61 N -0.54 7.58 0.00 1.08 4.77 -0.91 -4.95 117.00 124.04 2wht n LEU 61 Ca 0.07 -4.54 0.00 0.00 -0.03 0.00 0.00 56.01 51.50 2wht n LEU 61 Cb 0.38 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 2wht n LEU 61 CO 0.30 1.61 0.00 -0.24 -1.33 0.00 0.00 177.39 177.73 2wht n SER 65 N -0.75 0.00 0.28 -1.43 2.88 -1.26 -5.01 113.62 108.33 2wht n SER 65 Ca 0.59 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 58.28 2wht n SER 65 Cb 0.48 0.00 0.75 0.00 -0.75 0.00 0.00 64.21 64.69 2wht n SER 65 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2wht h ILE 66 N 0.00 0.24 -0.27 2.46 1.08 -2.01 -2.34 117.51 116.68 2wht h ILE 66 Ca 0.00 -0.53 0.08 0.00 -0.39 0.00 0.00 64.86 64.01 2wht h ILE 66 Cb 0.00 1.42 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 2wht h ILE 66 CO 0.00 0.07 0.31 -0.65 -0.69 0.00 0.00 178.15 177.18 2wht h PRO 67 N 0.00 0.00 -2.66 2.37 0.11 -1.97 -2.66 132.00 127.19 2wht h PRO 67 Ca -0.00 0.00 -0.70 0.00 0.11 0.00 0.00 66.00 65.41 2wht h PRO 67 Cb 0.42 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.44 2wht h PRO 67 CO 0.01 0.00 2.59 1.19 -0.21 0.00 0.00 178.00 181.58 2wht n PHE 68 N -3.73 2.43 -4.83 0.65 3.01 -0.88 -4.70 117.46 109.42 2wht n PHE 68 Ca 0.04 -2.81 -0.27 0.00 1.01 0.00 0.00 57.45 55.42 2wht n PHE 68 Cb 0.45 -1.97 -0.16 0.00 -0.01 0.00 0.00 39.48 37.79 2wht n PHE 68 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2wht s THR 69 N -0.36 1.46 -0.42 4.37 2.01 -1.01 -4.29 115.64 117.41 2wht s THR 69 Ca 0.59 -0.70 -0.27 0.00 0.31 0.00 0.00 61.69 61.61 2wht s THR 69 Cb 0.20 -1.28 0.02 0.00 0.01 0.00 0.00 72.50 71.45 2wht s THR 69 CO -0.09 0.42 1.03 -0.75 -0.69 0.00 0.00 174.62 174.54 2wht s LYS 70 N 0.32 3.77 -0.17 4.92 2.20 -0.29 -4.59 119.74 125.91 2wht s LYS 70 Ca -0.11 0.58 -0.09 0.00 -0.36 0.00 0.00 55.97 55.99 2wht s LYS 70 Cb -0.14 -3.86 -0.05 0.00 -1.51 0.00 0.00 37.83 32.27 2wht s LYS 70 CO 0.04 -1.16 0.15 0.71 -0.36 0.00 0.00 175.35 174.73 2wht s TYR 71 N 3.93 3.48 0.76 4.03 1.51 -1.26 -1.18 117.35 128.62 2wht s TYR 71 Ca 0.43 0.41 -0.12 0.00 -1.01 0.00 0.00 57.07 56.79 2wht s TYR 71 Cb -0.10 -2.10 0.05 0.00 -0.11 0.00 0.00 41.96 39.70 2wht s TYR 71 CO 0.25 0.43 1.11 -1.25 -1.11 0.00 0.00 175.55 174.97 2wht s PRO 72 N -0.08 2.23 0.54 -1.71 0.04 -1.26 -4.90 135.00 129.86 2wht s PRO 72 Ca 0.11 1.30 0.26 0.00 0.04 0.00 0.00 61.00 62.71 2wht s PRO 72 Cb -0.11 -1.89 1.42 0.00 0.04 0.00 0.00 34.50 33.96 2wht s PRO 72 CO 0.00 -1.68 1.99 0.93 0.04 0.00 0.00 177.00 178.28 2wht h GLU 73 N -0.89 0.00 -0.30 4.56 5.08 -2.00 -2.08 114.58 118.95 2wht h GLU 73 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2wht h GLU 73 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2wht h GLU 73 CO 0.51 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.12 2wht n ASP 74 N -4.32 2.38 -4.11 1.42 5.75 -1.26 -4.68 116.55 111.73 2wht n ASP 74 Ca 0.10 -1.86 -0.33 0.00 -0.01 0.00 0.00 54.79 52.69 2wht n ASP 74 Cb 0.62 -0.20 -0.16 0.00 -1.03 0.00 0.00 41.12 40.36 2wht n ASP 74 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2wht s ILE 75 N -1.61 2.16 0.24 2.12 1.01 -0.78 -5.02 121.20 119.32 2wht s ILE 75 Ca 0.34 -1.19 -0.31 0.00 0.00 0.00 0.00 60.65 59.49 2wht s ILE 75 Cb 0.19 -2.05 -0.13 0.00 0.01 0.00 0.00 42.46 40.48 2wht s ILE 75 CO 0.27 0.32 1.44 -2.65 0.00 0.00 0.00 174.94 174.32 2wht n PRO 76 N 4.56 2.12 -3.04 2.79 -0.02 -1.26 -4.66 135.00 135.48 2wht n PRO 76 Ca -0.18 0.75 -0.45 0.00 -2.02 0.00 0.00 63.50 61.61 2wht n PRO 76 Cb 0.47 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 2wht n PRO 76 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2wht s ASP 77 N 0.37 6.54 0.27 2.55 -1.08 -1.26 -4.42 116.67 119.63 2wht s ASP 77 Ca 0.69 -1.98 -0.01 0.00 -0.52 0.00 0.00 52.55 50.73 2wht s ASP 77 Cb -0.64 -2.34 0.52 0.00 -1.46 0.00 0.00 42.92 39.01 2wht s ASP 77 CO 0.48 -1.00 1.79 0.22 0.52 0.00 0.00 175.17 177.19 2wht h TYR 78 N 8.73 0.92 -0.00 -5.34 3.20 -1.91 -2.00 116.97 120.56 2wht h TYR 78 Ca 0.03 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 2wht h TYR 78 Cb 1.04 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.04 2wht h TYR 78 CO 1.06 0.30 -0.00 0.74 -1.64 0.00 0.00 178.16 178.62 2wht h PHE 79 N 0.77 0.00 -0.50 -3.82 0.04 -1.93 -2.92 116.94 108.58 2wht h PHE 79 Ca 0.47 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 61.16 2wht h PHE 79 Cb 0.56 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 2wht h PHE 79 CO -0.05 0.67 0.02 0.87 -0.60 0.00 0.00 178.31 179.21 2wht h LYS 80 N -0.66 0.82 0.00 1.51 1.57 -1.88 -2.75 116.57 115.18 2wht h LYS 80 Ca -0.00 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 2wht h LYS 80 Cb 0.67 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 2wht h LYS 80 CO 0.00 0.82 -0.09 1.96 -0.57 0.00 0.00 179.45 181.57 2wht h GLN 81 N 0.77 0.00 0.00 3.15 4.20 -1.39 -2.64 115.11 119.20 2wht h GLN 81 Ca 0.15 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 2wht h GLN 81 Cb 0.44 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 2wht h GLN 81 CO 0.02 0.09 -0.07 0.66 -0.67 0.00 0.00 178.83 178.85 2wht h SER 82 N 0.00 0.00 -4.17 1.46 4.64 -1.28 -3.44 113.55 110.75 2wht h SER 82 Ca -0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 2wht h SER 82 Cb 0.21 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.32 2wht h SER 82 CO 0.01 0.07 0.37 -0.36 -0.87 0.00 0.00 176.83 176.05 2wht s PHE 83 N -3.79 3.31 0.02 4.77 0.40 -1.00 -0.67 117.98 121.03 2wht s PHE 83 Ca -0.00 1.50 0.32 0.00 -0.60 0.00 0.00 56.93 58.15 2wht s PHE 83 Cb 0.10 -2.86 1.21 0.00 0.51 0.00 0.00 43.02 41.98 2wht s PHE 83 CO 0.56 -0.52 1.93 -1.00 0.70 0.00 0.00 175.22 176.88 2wht h PRO 84 N 0.98 0.00 -0.38 0.24 0.13 -1.89 -3.45 132.00 127.62 2wht h PRO 84 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2wht h PRO 84 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2wht h PRO 84 CO 0.60 0.01 0.24 0.93 -0.23 0.00 0.00 178.00 179.56 2wht h GLU 85 N 0.00 0.51 0.00 0.86 3.07 -1.88 -3.38 114.58 113.77 2wht h GLU 85 Ca -0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2wht h GLU 85 Cb 0.59 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 2wht h GLU 85 CO 0.00 0.36 0.00 0.41 -1.40 0.00 0.00 179.01 178.38 2wht n GLY 86 N -1.14 -1.82 3.46 -3.84 0.00 0.15 -4.73 105.19 97.26 2wht n GLY 86 Ca 0.00 -1.96 -0.10 0.00 0.00 0.00 0.00 46.02 43.96 2wht n GLY 86 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wht s TYR 87 N 0.00 0.55 0.35 1.61 -0.85 -0.98 -0.71 117.35 117.33 2wht s TYR 87 Ca 0.00 -0.88 0.06 0.00 -0.52 0.00 0.00 57.07 55.73 2wht s TYR 87 Cb 0.00 -0.03 -0.07 0.00 0.38 0.00 0.00 41.96 42.25 2wht s TYR 87 CO 0.00 -0.87 -0.00 0.95 -1.52 0.00 0.00 175.55 174.11 2wht s THR 88 N -4.04 1.74 0.16 -3.49 -4.23 -0.23 -0.46 115.64 105.08 2wht s THR 88 Ca 0.25 -2.05 -0.13 0.00 -1.18 0.00 0.00 61.69 58.58 2wht s THR 88 Cb 0.02 -2.79 0.01 0.00 1.34 0.00 0.00 72.50 71.08 2wht s THR 88 CO 0.08 -0.08 0.37 -1.66 -0.54 0.00 0.00 174.62 172.79 2wht s TRP 89 N -2.92 0.09 0.01 3.99 1.48 -0.89 -0.71 118.94 119.98 2wht s TRP 89 Ca 0.34 -0.44 0.03 0.00 -1.06 0.00 0.00 56.10 54.97 2wht s TRP 89 Cb 0.07 0.15 -0.01 0.00 -1.16 0.00 0.00 33.47 32.52 2wht s TRP 89 CO 0.16 -0.76 -0.10 -1.21 -4.06 0.00 0.00 176.95 170.99 2wht s GLU 90 N -3.89 0.72 -0.07 3.25 0.41 -0.63 -1.25 118.70 117.23 2wht s GLU 90 Ca 0.10 -0.45 -0.08 0.00 -0.41 0.00 0.00 54.97 54.13 2wht s GLU 90 Cb 0.02 -0.68 0.02 0.00 -1.78 0.00 0.00 34.13 31.71 2wht s GLU 90 CO -0.05 0.18 0.21 0.50 -0.49 0.00 0.00 175.26 175.61 2wht s ARG 91 N -0.56 0.28 0.01 1.61 3.52 0.05 -0.93 118.95 122.93 2wht s ARG 91 Ca 0.01 0.24 0.06 0.00 -0.13 0.00 0.00 55.73 55.92 2wht s ARG 91 Cb -0.05 0.13 -0.03 0.00 -1.56 0.00 0.00 34.95 33.44 2wht s ARG 91 CO 0.00 -0.04 -0.18 -1.54 -0.81 0.00 0.00 175.30 172.74 2wht s SER 92 N -0.02 3.81 -0.29 -2.12 1.04 0.00 -0.56 113.70 115.57 2wht s SER 92 Ca -0.01 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2wht s SER 92 Cb -0.02 -0.66 0.06 0.00 0.10 0.00 0.00 66.02 65.50 2wht s SER 92 CO 0.00 0.29 -0.04 -0.04 0.98 0.00 0.00 173.24 174.43 2wht s MET 93 N -1.16 2.33 -0.50 4.02 -1.94 0.53 -1.27 119.30 121.31 2wht s MET 93 Ca 0.13 -1.32 -0.06 0.00 -1.71 0.00 0.00 55.69 52.73 2wht s MET 93 Cb -0.10 -3.08 0.13 0.00 2.01 0.00 0.00 34.83 33.79 2wht s MET 93 CO 0.03 -0.62 0.34 -0.80 -0.01 0.00 0.00 175.02 173.97 2wht s ASN 94 N 1.20 5.55 0.54 3.03 0.01 0.14 -0.94 114.94 124.47 2wht s ASN 94 Ca -0.06 -2.16 -0.17 0.00 -0.71 0.00 0.00 52.86 49.76 2wht s ASN 94 Cb -0.20 -1.94 -0.06 0.00 0.41 0.00 0.00 41.25 39.46 2wht s ASN 94 CO -0.03 -0.59 1.03 -0.36 -1.51 0.00 0.00 177.10 175.64 2wht s PHE 95 N 0.97 3.14 0.29 2.20 0.08 -0.34 -1.11 117.98 123.21 2wht s PHE 95 Ca 0.09 1.52 0.37 0.00 0.12 0.00 0.00 56.93 59.03 2wht s PHE 95 Cb -0.23 -2.95 1.83 0.00 -0.57 0.00 0.00 43.02 41.10 2wht s PHE 95 CO -0.03 -0.78 2.12 1.05 -0.10 0.00 0.00 175.22 177.48 2wht h GLU 96 N 0.90 0.00 -0.69 0.44 4.11 -1.20 -2.17 114.58 115.97 2wht h GLU 96 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2wht h GLU 96 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2wht h GLU 96 CO 0.59 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.27 2wht n ASP 97 N -2.93 4.32 0.00 3.06 5.68 -1.26 -4.95 116.55 120.46 2wht n ASP 97 Ca -0.01 -2.25 0.00 0.00 -0.50 0.00 0.00 54.79 52.03 2wht n ASP 97 Cb 0.16 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 39.61 2wht n ASP 97 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wht n GLY 98 N 1.36 0.87 3.76 6.12 0.00 -0.82 -4.88 105.19 111.60 2wht n GLY 98 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 2wht n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wht s ALA 99 N -2.36 2.92 -0.01 4.61 0.00 -1.24 -4.85 121.76 120.83 2wht s ALA 99 Ca 0.00 1.18 0.01 0.00 0.00 0.00 0.00 51.96 53.15 2wht s ALA 99 Cb 0.00 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.63 2wht s ALA 99 CO 0.00 -1.07 -0.02 0.08 0.00 0.00 0.00 175.76 174.76 2wht s VAL 100 N -1.39 0.22 -0.04 0.00 1.01 -0.66 -1.20 120.40 118.33 2wht s VAL 100 Ca 0.67 -0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.65 2wht s VAL 100 Cb -0.36 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 2wht s VAL 100 CO 0.43 0.10 -0.20 0.00 0.00 0.00 0.00 175.10 175.42 2wht s THR 102 N -0.56 2.80 -0.00 0.00 -4.23 0.83 -0.34 115.64 114.14 2wht s THR 102 Ca 0.08 -0.78 0.03 0.00 -1.18 0.00 0.00 61.69 59.84 2wht s THR 102 Cb -0.11 -2.12 -0.01 0.00 1.34 0.00 0.00 72.50 71.60 2wht s THR 102 CO 0.01 0.56 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.84 2wht s VAL 103 N -0.09 0.86 0.06 2.29 1.01 0.28 -0.64 120.40 124.18 2wht s VAL 103 Ca -0.03 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2wht s VAL 103 Cb -0.14 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 2wht s VAL 103 CO 0.04 0.19 -0.09 -0.94 0.00 0.00 0.00 175.10 174.30 2wht s SER 104 N -0.41 1.13 -0.02 3.32 1.04 -0.04 -0.77 113.70 117.96 2wht s SER 104 Ca 0.03 -0.68 -0.04 0.00 0.48 0.00 0.00 55.95 55.75 2wht s SER 104 Cb -0.05 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.10 2wht s SER 104 CO -0.00 -0.23 0.10 0.21 0.98 0.00 0.00 173.24 174.29 2wht s ASN 105 N -1.98 -0.02 -0.10 7.02 2.47 -0.38 -0.45 114.94 121.50 2wht s ASN 105 Ca -0.03 -0.01 0.02 0.00 0.42 0.00 0.00 52.86 53.26 2wht s ASN 105 Cb -0.06 0.20 -0.02 0.00 -1.45 0.00 0.00 41.25 39.92 2wht s ASN 105 CO -0.00 -0.17 -0.16 -0.62 -3.72 0.00 0.00 177.10 172.43 2wht s ASP 106 N -0.58 3.81 -0.15 -4.21 -1.08 0.09 -2.09 116.67 112.45 2wht s ASP 106 Ca -0.07 -0.34 0.02 0.00 -0.52 0.00 0.00 52.55 51.64 2wht s ASP 106 Cb -0.04 -1.33 0.01 0.00 -1.46 0.00 0.00 42.92 40.10 2wht s ASP 106 CO 0.00 0.21 -0.20 -0.44 0.52 0.00 0.00 175.17 175.27 2wht s SER 107 N 0.04 3.22 0.37 -0.34 0.01 0.40 -0.65 113.70 116.75 2wht s SER 107 Ca -0.06 -0.59 0.05 0.00 1.31 0.00 0.00 55.95 56.65 2wht s SER 107 Cb -0.15 -1.48 -0.03 0.00 0.21 0.00 0.00 66.02 64.58 2wht s SER 107 CO 0.05 0.06 0.18 -0.94 0.41 0.00 0.00 173.24 172.99 2wht s SER 108 N 0.96 2.32 0.03 2.44 1.04 0.04 -2.31 113.70 118.23 2wht s SER 108 Ca -0.03 -1.69 0.03 0.00 0.48 0.00 0.00 55.95 54.74 2wht s SER 108 Cb -0.15 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.47 2wht s SER 108 CO -0.05 -0.97 -0.10 -0.51 0.98 0.00 0.00 173.24 172.59 2wht s ILE 109 N -3.33 0.75 -0.36 -1.02 2.07 -1.26 -0.12 121.20 117.93 2wht s ILE 109 Ca 0.30 -0.91 -0.00 0.00 -1.41 0.00 0.00 60.65 58.63 2wht s ILE 109 Cb 0.03 -0.73 0.12 0.00 0.13 0.00 0.00 42.46 42.01 2wht s ILE 109 CO 0.19 -0.14 0.18 -1.58 -1.91 0.00 0.00 174.94 171.67 2wht s GLN 110 N -1.16 0.75 7.90 3.50 2.00 0.13 -4.90 119.66 127.88 2wht s GLN 110 Ca -0.03 -1.36 0.00 0.00 -2.00 0.00 0.00 55.36 51.97 2wht s GLN 110 Cb -0.08 -1.74 0.00 0.00 0.80 0.00 0.00 33.01 31.99 2wht s GLN 110 CO 0.01 -1.12 0.00 0.41 -0.50 0.00 0.00 175.29 174.09 2wht n GLY 111 N 4.25 3.90 1.77 2.59 0.00 -1.26 -2.02 105.19 114.43 2wht n GLY 111 Ca 0.05 0.06 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 2wht n GLY 111 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wht n ASN 112 N 9.13 4.03 -3.73 1.61 3.02 -1.26 -4.86 115.26 123.19 2wht n ASN 112 Ca 0.00 -3.00 -0.18 0.00 -0.03 0.00 0.00 54.58 51.38 2wht n ASN 112 Cb 0.00 -0.71 -0.17 0.00 -0.61 0.00 0.00 39.78 38.29 2wht n ASN 112 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wht s PHE 114 N 1.61 3.34 -0.15 0.00 0.08 -0.44 0.21 117.98 122.64 2wht s PHE 114 Ca -0.02 1.45 0.02 0.00 0.12 0.00 0.00 56.93 58.49 2wht s PHE 114 Cb -0.13 -2.72 0.01 0.00 -0.57 0.00 0.00 43.02 39.62 2wht s PHE 114 CO -0.03 -0.02 -0.19 0.42 -0.10 0.00 0.00 175.22 175.30 2wht s ILE 115 N -2.09 1.90 -0.15 0.64 1.01 0.82 -0.61 121.20 122.72 2wht s ILE 115 Ca 0.58 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 60.33 2wht s ILE 115 Cb -0.10 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 2wht s ILE 115 CO 0.15 0.52 -0.04 -0.31 0.00 0.00 0.00 174.94 175.26 2wht s TYR 116 N 1.05 3.02 -0.24 3.97 2.02 0.02 -0.78 117.35 126.42 2wht s TYR 116 Ca -0.02 -0.30 0.02 0.00 -0.37 0.00 0.00 57.07 56.40 2wht s TYR 116 Cb -0.14 -1.95 0.05 0.00 -0.40 0.00 0.00 41.96 39.51 2wht s TYR 116 CO -0.06 -0.03 -0.13 1.21 -1.57 0.00 0.00 175.55 174.97 2wht s ASN 117 N 0.34 4.04 -0.05 2.29 3.84 0.18 -0.63 114.94 124.95 2wht s ASN 117 Ca -0.04 -1.17 0.04 0.00 0.21 0.00 0.00 52.86 51.90 2wht s ASN 117 Cb -0.14 -1.51 -0.00 0.00 -0.55 0.00 0.00 41.25 39.05 2wht s ASN 117 CO 0.03 -0.14 -0.18 0.54 -2.79 0.00 0.00 177.10 174.56 2wht s VAL 118 N 1.17 1.55 -0.05 -5.21 0.11 0.65 -0.73 120.40 117.89 2wht s VAL 118 Ca -0.05 -0.77 0.06 0.00 -2.93 0.00 0.00 61.98 58.28 2wht s VAL 118 Cb -0.18 -1.34 -0.01 0.00 -1.53 0.00 0.00 36.38 33.32 2wht s VAL 118 CO -0.07 0.44 -0.23 -0.54 -3.33 0.00 0.00 175.10 171.37 2wht s LYS 119 N 0.09 2.40 -0.02 1.54 1.02 0.40 -1.55 119.74 123.61 2wht s LYS 119 Ca -0.06 -0.85 0.03 0.00 0.02 0.00 0.00 55.97 55.11 2wht s LYS 119 Cb -0.13 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 35.14 2wht s LYS 119 CO 0.03 0.35 -0.09 -1.50 -0.92 0.00 0.00 175.35 173.22 2wht s ILE 120 N -0.12 0.80 -0.11 2.17 2.07 -0.49 -0.86 121.20 124.65 2wht s ILE 120 Ca -0.04 -0.37 0.00 0.00 -1.41 0.00 0.00 60.65 58.83 2wht s ILE 120 Cb -0.13 -0.71 0.02 0.00 0.13 0.00 0.00 42.46 41.77 2wht s ILE 120 CO 0.03 0.25 -0.09 -0.55 -1.91 0.00 0.00 174.94 172.67 2wht s SER 121 N 0.15 2.18 -0.07 4.50 0.15 0.19 -1.86 113.70 118.94 2wht s SER 121 Ca -0.03 -0.32 0.05 0.00 0.70 0.00 0.00 55.95 56.35 2wht s SER 121 Cb -0.08 -0.88 -0.01 0.00 -1.71 0.00 0.00 66.02 63.35 2wht s SER 121 CO 0.00 -0.09 -0.24 -0.83 1.20 0.00 0.00 173.24 173.28 2wht s GLY 122 N 1.53 1.29 0.05 9.45 0.00 0.23 -0.12 107.32 119.76 2wht s GLY 122 Ca 0.02 -1.00 0.02 0.00 0.00 0.00 0.00 44.72 43.76 2wht s GLY 122 CO -0.07 -0.51 -0.07 -0.54 0.00 0.00 0.00 173.10 171.91 2wht s GLU 123 N 0.05 0.59 -1.33 2.90 2.02 0.03 -0.74 118.70 122.22 2wht s GLU 123 Ca -0.10 -0.90 -0.09 0.00 0.02 0.00 0.00 54.97 53.90 2wht s GLU 123 Cb -0.15 -0.23 0.01 0.00 0.10 0.00 0.00 34.13 33.86 2wht s GLU 123 CO 0.06 0.02 1.16 0.09 0.02 0.00 0.00 175.26 176.61 2wht n ASN 124 N 1.07 -6.29 -4.70 -0.19 4.13 -1.26 -1.66 115.26 106.36 2wht n ASN 124 Ca -0.20 -0.53 -0.42 0.00 1.68 0.00 0.00 54.58 55.11 2wht n ASN 124 Cb 0.56 -4.95 -0.03 0.00 -1.54 0.00 0.00 39.78 33.83 2wht n ASN 124 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2wht s PHE 125 N -3.31 3.07 0.22 3.10 0.08 -1.26 -3.64 117.98 116.24 2wht s PHE 125 Ca 0.57 0.98 -0.32 0.00 0.12 0.00 0.00 56.93 58.29 2wht s PHE 125 Cb -0.25 -3.59 -0.12 0.00 -0.57 0.00 0.00 43.02 38.49 2wht s PHE 125 CO 0.72 -2.07 1.68 -2.30 -0.10 0.00 0.00 175.22 173.15 2wht n PRO 126 N 4.84 2.70 -0.28 0.24 -0.02 -1.26 -4.86 135.00 136.36 2wht n PRO 126 Ca 0.12 0.97 0.26 0.00 -2.02 0.00 0.00 63.50 62.83 2wht n PRO 126 Cb 0.44 -2.80 0.61 0.00 -0.02 0.00 0.00 33.50 31.73 2wht n PRO 126 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2wht h PRO 127 N 6.26 0.22 -0.49 0.52 0.11 -1.98 0.73 132.00 137.37 2wht h PRO 127 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2wht h PRO 127 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2wht h PRO 127 CO 0.92 0.15 0.00 0.09 -0.21 0.00 0.00 178.00 178.94 2wht n ASN 128 N -4.44 3.56 -4.64 -2.05 3.02 -1.26 -4.34 115.26 105.11 2wht n ASN 128 Ca 0.23 -2.15 -0.27 0.00 -0.03 0.00 0.00 54.58 52.36 2wht n ASN 128 Cb 0.94 -0.38 0.11 0.00 -0.61 0.00 0.00 39.78 39.84 2wht n ASN 128 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2wht s GLY 129 N -1.07 1.71 0.46 7.41 0.00 0.25 -4.83 107.32 111.26 2wht s GLY 129 Ca 0.36 -1.10 0.20 0.00 0.00 0.00 0.00 44.72 44.19 2wht s GLY 129 CO 0.21 -0.54 1.98 -0.56 0.00 0.00 0.00 173.10 174.19 2wht h PRO 130 N -0.98 0.00 0.09 2.90 0.13 -1.94 -0.95 132.00 131.25 2wht h PRO 130 Ca -0.43 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2wht h PRO 130 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2wht h PRO 130 CO 0.51 0.20 -0.04 0.28 -0.23 0.00 0.00 178.00 178.72 2wht h VAL 131 N 0.00 1.17 0.00 1.56 2.07 -1.94 0.82 116.25 119.93 2wht h VAL 131 Ca -0.00 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.19 2wht h VAL 131 Cb 0.43 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 2wht h VAL 131 CO 0.03 0.29 -0.33 0.24 0.02 0.00 0.00 177.57 177.82 2wht h MET 132 N -0.72 0.00 -0.27 1.57 2.86 -1.73 -1.10 114.93 115.53 2wht h MET 132 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2wht h MET 132 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 2wht h MET 132 CO 0.02 0.33 0.00 1.04 1.06 0.00 0.00 176.91 179.36 2wht n GLN 133 N -3.53 1.94 -3.85 1.72 1.13 -0.37 -4.72 117.38 109.69 2wht n GLN 133 Ca -0.00 -1.43 -0.25 0.00 -1.94 0.00 0.00 57.00 53.38 2wht n GLN 133 Cb 0.47 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.42 2wht n GLN 133 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2wht n LYS 134 N 0.65 -3.58 -0.16 -1.09 5.02 -0.72 -4.92 118.16 113.37 2wht n LYS 134 Ca 0.16 0.47 0.05 0.00 -2.02 0.00 0.00 58.31 56.98 2wht n LYS 134 Cb 0.39 -4.68 0.14 0.00 -0.02 0.00 0.00 35.03 30.85 2wht n LYS 134 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wht n LYS 135 N -4.34 2.87 -2.90 1.97 4.76 0.20 -5.02 118.16 115.70 2wht n LYS 135 Ca -0.29 -1.99 -0.31 0.00 -2.87 0.00 0.00 58.31 52.85 2wht n LYS 135 Cb 0.68 -1.24 -0.04 0.00 -1.84 0.00 0.00 35.03 32.58 2wht n LYS 135 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2wht s THR 136 N -1.00 4.70 -0.28 -0.18 -4.23 -1.25 -1.67 115.64 111.74 2wht s THR 136 Ca 0.21 0.84 0.16 0.00 -1.18 0.00 0.00 61.69 61.72 2wht s THR 136 Cb 0.11 -3.68 0.49 0.00 1.34 0.00 0.00 72.50 70.75 2wht s THR 136 CO 0.14 -0.41 1.14 0.00 -0.54 0.00 0.00 174.62 174.95 2wht n GLN 137 N -0.97 2.48 0.00 3.99 6.02 0.16 -4.85 117.38 124.21 2wht n GLN 137 Ca 0.03 -3.78 0.00 0.00 -0.01 0.00 0.00 57.00 53.25 2wht n GLN 137 Cb 0.54 -1.87 0.00 0.00 1.02 0.00 0.00 30.24 29.93 2wht n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wht n GLY 138 N -0.62 -0.33 3.81 1.08 0.00 -1.26 -4.59 105.19 103.28 2wht n GLY 138 Ca 0.22 -1.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.20 2wht n GLY 138 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wht s TRP 139 N -2.86 3.72 0.54 1.61 0.52 -1.26 -0.69 118.94 120.52 2wht s TRP 139 Ca 0.00 1.41 -0.20 0.00 0.02 0.00 0.00 56.10 57.33 2wht s TRP 139 Cb 0.00 -2.63 -0.05 0.00 -1.15 0.00 0.00 33.47 29.64 2wht s TRP 139 CO 0.00 0.41 1.18 -1.21 0.02 0.00 0.00 176.95 177.34 2wht s GLU 140 N -1.70 3.30 0.32 4.98 0.41 0.70 -4.74 118.70 121.96 2wht s GLU 140 Ca 0.40 1.76 -0.27 0.00 -0.41 0.00 0.00 54.97 56.44 2wht s GLU 140 Cb -0.18 -2.08 -0.13 0.00 -1.78 0.00 0.00 34.13 29.96 2wht s GLU 140 CO 0.22 -0.93 1.08 -2.30 -0.49 0.00 0.00 175.26 172.84 2wht n PRO 141 N -1.20 1.55 -4.19 0.39 -0.02 -1.26 -4.75 135.00 125.51 2wht n PRO 141 Ca 0.11 0.55 -0.11 0.00 -2.02 0.00 0.00 63.50 62.02 2wht n PRO 141 Cb 0.49 -2.00 -0.10 0.00 -0.02 0.00 0.00 33.50 31.88 2wht n PRO 141 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2wht s SER 142 N -0.52 0.92 -0.21 2.55 1.04 -0.61 -4.98 113.70 111.88 2wht s SER 142 Ca 0.58 -1.14 0.01 0.00 0.48 0.00 0.00 55.95 55.88 2wht s SER 142 Cb -0.64 0.16 0.05 0.00 0.10 0.00 0.00 66.02 65.69 2wht s SER 142 CO 0.60 -0.59 -0.08 -0.89 0.98 0.00 0.00 173.24 173.26 2wht s THR 143 N -3.77 1.56 0.05 2.02 2.01 -1.26 -0.23 115.64 116.02 2wht s THR 143 Ca 0.20 -1.08 -0.23 0.00 0.31 0.00 0.00 61.69 60.90 2wht s THR 143 Cb 0.06 -1.73 -0.06 0.00 0.01 0.00 0.00 72.50 70.79 2wht s THR 143 CO 0.01 0.05 0.69 -0.70 -0.69 0.00 0.00 174.62 173.98 2wht s GLU 144 N 1.41 4.41 -0.17 4.92 2.12 -0.01 -4.58 118.70 126.80 2wht s GLU 144 Ca -0.03 0.93 -0.05 0.00 0.36 0.00 0.00 54.97 56.19 2wht s GLU 144 Cb -0.17 -3.33 -0.03 0.00 0.26 0.00 0.00 34.13 30.86 2wht s GLU 144 CO -0.07 0.39 -0.01 1.03 -0.54 0.00 0.00 175.26 176.06 2wht s ARG 145 N -0.37 3.69 0.09 4.30 0.52 -0.19 -0.54 118.95 126.45 2wht s ARG 145 Ca 0.35 -0.50 0.08 0.00 -0.52 0.00 0.00 55.73 55.14 2wht s ARG 145 Cb -0.20 -3.00 -0.03 0.00 0.52 0.00 0.00 34.95 32.24 2wht s ARG 145 CO 0.21 0.17 -0.21 -0.51 0.02 0.00 0.00 175.30 174.98 2wht s LEU 146 N 0.56 2.27 0.08 2.53 1.02 0.26 -1.56 118.68 123.84 2wht s LEU 146 Ca -0.02 -0.65 -0.11 0.00 0.02 0.00 0.00 54.13 53.38 2wht s LEU 146 Cb -0.14 -0.92 0.01 0.00 0.02 0.00 0.00 46.19 45.16 2wht s LEU 146 CO 0.02 0.09 0.25 0.72 0.02 0.00 0.00 176.35 177.46 2wht s PHE 147 N -1.06 0.03 0.09 0.29 -0.12 -0.39 -2.10 117.98 114.71 2wht s PHE 147 Ca 0.07 -0.37 -0.25 0.00 -0.05 0.00 0.00 56.93 56.34 2wht s PHE 147 Cb -0.10 0.03 -0.06 0.00 -0.63 0.00 0.00 43.02 42.26 2wht s PHE 147 CO 0.04 -0.56 0.75 0.00 -0.05 0.00 0.00 175.22 175.40 2wht s ALA 148 N -3.51 3.41 -0.17 1.99 0.00 -1.26 0.14 121.76 122.36 2wht s ALA 148 Ca 0.02 0.28 -0.05 0.00 0.00 0.00 0.00 51.96 52.22 2wht s ALA 148 Cb 0.03 -2.95 0.08 0.00 0.00 0.00 0.00 23.12 20.28 2wht s ALA 148 CO -0.09 0.17 0.30 0.50 0.00 0.00 0.00 175.76 176.64 2wht s ARG 149 N -0.49 0.22 -1.37 0.00 3.52 0.40 -4.93 118.95 116.31 2wht s ARG 149 Ca 0.37 0.69 -0.04 0.00 -0.13 0.00 0.00 55.73 56.62 2wht s ARG 149 Cb -0.21 -0.20 0.00 0.00 -1.56 0.00 0.00 34.95 32.98 2wht s ARG 149 CO 0.24 -0.39 0.45 -0.25 -0.81 0.00 0.00 175.30 174.54 2wht n ASP 150 N 5.36 -1.05 0.00 -2.12 8.00 -1.26 -0.52 116.55 124.95 2wht n ASP 150 Ca -0.06 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.40 2wht n ASP 150 Cb 0.50 -2.95 0.00 0.00 -0.02 0.00 0.00 41.12 38.64 2wht n ASP 150 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wht n GLY 151 N -1.99 0.85 3.78 0.44 0.00 -1.26 -4.99 105.19 102.03 2wht n GLY 151 Ca -0.28 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 2wht n GLY 151 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wht s MET 152 N -0.26 2.73 -0.16 1.61 -1.94 0.32 -4.58 119.30 117.02 2wht s MET 152 Ca 0.00 -1.19 -0.04 0.00 -1.71 0.00 0.00 55.69 52.74 2wht s MET 152 Cb 0.00 -2.44 -0.03 0.00 2.01 0.00 0.00 34.83 34.37 2wht s MET 152 CO 0.00 0.34 -0.02 -1.17 -0.01 0.00 0.00 175.02 174.16 2wht s LEU 153 N -3.82 3.34 -0.19 -0.03 2.96 -0.30 -0.45 118.68 120.18 2wht s LEU 153 Ca 0.34 -0.10 -0.04 0.00 -0.22 0.00 0.00 54.13 54.10 2wht s LEU 153 Cb -0.07 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 2wht s LEU 153 CO 0.24 0.16 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.78 2wht s ILE 154 N 0.43 3.86 0.06 6.68 -1.09 0.12 -0.58 121.20 130.68 2wht s ILE 154 Ca -0.02 -0.35 0.09 0.00 -2.23 0.00 0.00 60.65 58.14 2wht s ILE 154 Cb -0.14 -2.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.98 2wht s ILE 154 CO 0.02 0.44 -0.24 -0.83 -1.23 0.00 0.00 174.94 173.11 2wht s GLY 155 N 0.88 1.50 0.00 6.18 0.00 0.49 -1.26 107.32 115.12 2wht s GLY 155 Ca 0.00 -1.28 0.01 0.00 0.00 0.00 0.00 44.72 43.45 2wht s GLY 155 CO 0.02 -1.19 -0.03 -1.31 0.00 0.00 0.00 173.10 170.58 2wht s ASN 156 N -1.48 0.37 -0.18 1.64 0.01 -0.60 -1.10 114.94 113.59 2wht s ASN 156 Ca 0.13 -0.12 -0.09 0.00 -0.71 0.00 0.00 52.86 52.08 2wht s ASN 156 Cb -0.10 -0.02 0.06 0.00 0.41 0.00 0.00 41.25 41.60 2wht s ASN 156 CO 0.04 -0.00 0.42 -0.62 -1.51 0.00 0.00 177.10 175.43 2wht s ASP 157 N -0.26 -0.49 -0.64 -1.22 -1.08 -0.91 -1.02 116.67 111.05 2wht s ASP 157 Ca -0.01 0.93 -0.14 0.00 -0.52 0.00 0.00 52.55 52.81 2wht s ASP 157 Cb -0.02 0.88 0.16 0.00 -1.46 0.00 0.00 42.92 42.47 2wht s ASP 157 CO -0.00 -0.20 0.58 -0.31 0.52 0.00 0.00 175.17 175.76 2wht s TYR 158 N 1.59 3.45 0.21 -5.34 2.02 -1.26 -0.86 117.35 117.15 2wht s TYR 158 Ca -0.08 -1.62 0.04 0.00 -0.37 0.00 0.00 57.07 55.03 2wht s TYR 158 Cb -0.09 -3.76 -0.03 0.00 -0.40 0.00 0.00 41.96 37.68 2wht s TYR 158 CO -0.13 -1.00 0.34 -1.64 -1.57 0.00 0.00 175.55 171.55 2wht s MET 159 N 1.04 3.44 -0.09 -0.62 -1.94 0.13 -4.91 119.30 116.36 2wht s MET 159 Ca 0.09 -0.68 -0.04 0.00 -1.71 0.00 0.00 55.69 53.35 2wht s MET 159 Cb -0.23 -2.91 0.05 0.00 2.01 0.00 0.00 34.83 33.75 2wht s MET 159 CO -0.02 0.45 0.18 0.00 -0.01 0.00 0.00 175.02 175.63 2wht s ALA 160 N -1.90 -0.33 -0.07 3.03 0.00 -1.26 -1.68 121.76 119.55 2wht s ALA 160 Ca 0.34 0.74 -0.18 0.00 0.00 0.00 0.00 51.96 52.86 2wht s ALA 160 Cb -0.10 -0.67 -0.05 0.00 0.00 0.00 0.00 23.12 22.30 2wht s ALA 160 CO 0.29 -0.35 0.49 -0.51 0.00 0.00 0.00 175.76 175.68 2wht s LEU 161 N 1.68 4.34 0.51 0.00 1.43 -0.57 -0.22 118.68 125.86 2wht s LEU 161 Ca -0.04 0.91 -0.20 0.00 -1.03 0.00 0.00 54.13 53.77 2wht s LEU 161 Cb -0.12 -2.72 -0.07 0.00 0.03 0.00 0.00 46.19 43.31 2wht s LEU 161 CO -0.07 0.08 1.09 -0.54 0.23 0.00 0.00 176.35 177.14 2wht s LYS 162 N 0.15 3.62 0.06 1.70 1.02 0.13 -1.06 119.74 125.36 2wht s LYS 162 Ca 0.27 1.51 0.09 0.00 0.02 0.00 0.00 55.97 57.85 2wht s LYS 162 Cb -0.16 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.03 2wht s LYS 162 CO 0.12 -0.61 -0.25 -0.51 -0.92 0.00 0.00 175.35 173.18 2wht s LEU 163 N -3.56 2.20 0.07 3.17 1.43 -0.36 0.39 118.68 122.02 2wht s LEU 163 Ca 0.69 -0.61 -0.35 0.00 -1.03 0.00 0.00 54.13 52.83 2wht s LEU 163 Cb -0.21 -1.19 -0.14 0.00 0.03 0.00 0.00 46.19 44.68 2wht s LEU 163 CO 0.24 0.21 1.64 1.21 0.23 0.00 0.00 176.35 179.89 2wht n GLU 164 N 1.59 2.00 0.00 1.70 2.13 -0.67 -0.50 120.64 126.89 2wht n GLU 164 Ca -0.17 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.37 2wht n GLU 164 Cb 0.52 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 29.74 2wht n GLU 164 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wht n GLY 165 N 3.61 2.40 0.00 8.31 0.00 -1.26 -4.64 105.19 113.62 2wht n GLY 165 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2wht n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wht n GLY 166 N -1.80 0.59 2.33 -0.02 0.00 0.34 -5.10 105.19 101.53 2wht n GLY 166 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2wht n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wht n GLY 167 N -1.28 -1.61 3.10 -0.02 0.00 -1.25 -4.80 105.19 99.33 2wht n GLY 167 Ca 0.00 -1.65 -0.11 0.00 0.00 0.00 0.00 46.02 44.26 2wht n GLY 167 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wht s HIS 168 N -2.68 0.71 -0.22 1.61 0.09 -1.26 -1.23 115.29 112.31 2wht s HIS 168 Ca 0.46 -0.72 -0.00 0.00 -0.00 0.00 0.00 55.06 54.80 2wht s HIS 168 Cb -0.02 -0.43 0.06 0.00 -0.00 0.00 0.00 32.58 32.19 2wht s HIS 168 CO 0.33 -0.15 -0.02 -0.47 -0.00 0.00 0.00 174.74 174.43 2wht s TYR 169 N -2.49 1.93 0.32 1.40 5.04 -0.23 -4.95 117.35 118.37 2wht s TYR 169 Ca -0.00 -1.45 -0.10 0.00 -2.44 0.00 0.00 57.07 53.07 2wht s TYR 169 Cb -0.02 -1.39 -0.07 0.00 0.35 0.00 0.00 41.96 40.82 2wht s TYR 169 CO -0.03 -0.72 0.66 -0.51 -1.34 0.00 0.00 175.55 173.62 2wht s LEU 170 N 1.55 4.02 -0.19 6.97 1.43 -1.26 -1.51 118.68 129.69 2wht s LEU 170 Ca -0.04 1.03 -0.07 0.00 -1.03 0.00 0.00 54.13 54.02 2wht s LEU 170 Cb -0.18 -3.85 0.08 0.00 0.03 0.00 0.00 46.19 42.26 2wht s LEU 170 CO -0.07 -0.23 0.41 0.00 0.23 0.00 0.00 176.35 176.69 2wht s GLU 172 N 2.30 4.12 -0.09 0.00 2.12 -0.27 -0.70 118.70 126.19 2wht s GLU 172 Ca -0.03 0.83 -0.17 0.00 0.36 0.00 0.00 54.97 55.96 2wht s GLU 172 Cb -0.11 -3.67 -0.05 0.00 0.26 0.00 0.00 34.13 30.56 2wht s GLU 172 CO -0.13 -0.56 0.43 -0.06 -0.54 0.00 0.00 175.26 174.40 2wht s PHE 173 N 2.87 3.57 -0.08 5.30 0.40 -0.04 -0.68 117.98 129.32 2wht s PHE 173 Ca 0.34 0.88 0.01 0.00 -0.60 0.00 0.00 56.93 57.56 2wht s PHE 173 Cb -0.15 -2.45 0.02 0.00 0.51 0.00 0.00 43.02 40.95 2wht s PHE 173 CO 0.09 0.31 -0.10 0.15 0.70 0.00 0.00 175.22 176.37 2wht s LYS 174 N 0.12 1.60 0.01 0.44 1.02 -0.39 -2.14 119.74 120.40 2wht s LYS 174 Ca 0.24 -0.34 0.04 0.00 0.02 0.00 0.00 55.97 55.93 2wht s LYS 174 Cb -0.15 -1.44 -0.01 0.00 -0.52 0.00 0.00 37.83 35.70 2wht s LYS 174 CO 0.10 -0.08 -0.13 -1.12 -0.92 0.00 0.00 175.35 173.21 2wht s SER 175 N 1.04 1.47 -0.13 2.83 0.01 -0.26 -0.82 113.70 117.84 2wht s SER 175 Ca -0.08 -0.31 0.01 0.00 1.31 0.00 0.00 55.95 56.88 2wht s SER 175 Cb -0.15 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 65.97 2wht s SER 175 CO -0.01 0.09 -0.14 -0.89 0.41 0.00 0.00 173.24 172.71 2wht s THR 176 N -0.52 1.46 -0.15 1.44 2.01 -0.10 -0.38 115.64 119.41 2wht s THR 176 Ca 0.03 -0.59 -0.03 0.00 0.31 0.00 0.00 61.69 61.41 2wht s THR 176 Cb -0.06 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 2wht s THR 176 CO 0.00 0.44 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.02 2wht s TYR 177 N 1.28 3.03 -0.32 4.92 2.02 0.25 -1.60 117.35 126.92 2wht s TYR 177 Ca -0.00 -0.25 -0.00 0.00 -0.37 0.00 0.00 57.07 56.44 2wht s TYR 177 Cb -0.14 -1.93 0.10 0.00 -0.40 0.00 0.00 41.96 39.59 2wht s TYR 177 CO -0.06 0.02 0.10 0.21 -1.57 0.00 0.00 175.55 174.24 2wht s LYS 178 N 0.22 0.80 0.55 -0.62 2.20 0.11 -1.15 119.74 121.86 2wht s LYS 178 Ca -0.02 -1.19 -0.21 0.00 -0.36 0.00 0.00 55.97 54.18 2wht s LYS 178 Cb -0.14 -2.11 -0.05 0.00 -1.51 0.00 0.00 37.83 34.02 2wht s LYS 178 CO 0.03 -0.99 1.33 0.00 -0.36 0.00 0.00 175.35 175.36 2wht n ALA 179 N 4.73 1.46 0.73 3.13 0.00 -1.26 -1.07 120.51 128.24 2wht n ALA 179 Ca -0.01 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.68 2wht n ALA 179 Cb 0.42 -2.34 0.47 0.00 0.00 0.00 0.00 19.45 18.00 2wht n ALA 179 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wht n LYS 180 N -1.04 0.19 -4.22 0.00 5.02 0.11 -4.79 118.16 113.43 2wht n LYS 180 Ca 0.11 0.15 -0.15 0.00 -2.02 0.00 0.00 58.31 56.40 2wht n LYS 180 Cb 0.45 -1.72 -0.11 0.00 -0.02 0.00 0.00 35.03 33.63 2wht n LYS 180 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2wht s LYS 181 N -3.07 0.97 0.29 1.97 -2.85 -1.26 -5.04 119.74 110.74 2wht s LYS 181 Ca 0.12 -1.28 -0.29 0.00 -1.00 0.00 0.00 55.97 53.51 2wht s LYS 181 Cb 0.14 -0.66 -0.10 0.00 -2.06 0.00 0.00 37.83 35.15 2wht s LYS 181 CO 0.58 0.10 1.43 -2.14 0.10 0.00 0.00 175.35 175.42 2wht s PRO 182 N -3.09 4.25 0.29 1.78 0.02 -1.26 -4.97 135.00 132.02 2wht s PRO 182 Ca 0.10 2.35 0.04 0.00 0.02 0.00 0.00 61.00 63.51 2wht s PRO 182 Cb -0.02 -3.07 -0.06 0.00 0.02 0.00 0.00 34.50 31.37 2wht s PRO 182 CO 0.01 -0.41 0.03 0.14 -0.33 0.00 0.00 177.00 176.44 2wht s VAL 183 N -0.41 1.15 0.04 3.83 -7.23 -1.26 -5.05 120.40 111.47 2wht s VAL 183 Ca 0.57 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 58.40 2wht s VAL 183 Cb -0.43 -2.61 -0.07 0.00 0.56 0.00 0.00 36.38 33.84 2wht s VAL 183 CO 0.49 -0.13 1.52 -0.13 -0.31 0.00 0.00 175.10 176.53 2wht s ARG 184 N -3.87 4.24 0.10 4.82 0.52 -1.26 -4.99 118.95 118.51 2wht s ARG 184 Ca 0.33 2.15 -0.23 0.00 -0.52 0.00 0.00 55.73 57.46 2wht s ARG 184 Cb 0.07 -3.56 -0.07 0.00 0.52 0.00 0.00 34.95 31.91 2wht s ARG 184 CO 0.13 -0.65 0.69 -1.64 0.02 0.00 0.00 175.30 173.86 2wht s MET 185 N 2.44 4.42 0.67 3.54 -1.94 -1.26 -4.60 119.30 122.57 2wht s MET 185 Ca 0.69 0.97 -0.11 0.00 -1.71 0.00 0.00 55.69 55.53 2wht s MET 185 Cb -0.36 -3.29 0.00 0.00 2.01 0.00 0.00 34.83 33.20 2wht s MET 185 CO 0.29 0.51 1.05 -1.25 -0.01 0.00 0.00 175.02 175.62 2wht s PRO 186 N -0.80 3.04 0.17 2.03 0.04 -1.26 -4.80 135.00 133.42 2wht s PRO 186 Ca 0.34 0.47 -0.03 0.00 0.04 0.00 0.00 61.00 61.82 2wht s PRO 186 Cb -0.21 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.30 2wht s PRO 186 CO 0.22 -0.88 0.24 0.41 0.04 0.00 0.00 177.00 177.03 2wht n GLY 187 N -2.89 -0.91 3.71 0.56 0.00 -1.26 -4.43 105.19 99.97 2wht n GLY 187 Ca 0.06 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 2wht n GLY 187 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wht s ARG 188 N -3.44 4.15 0.34 1.61 0.52 -1.26 -4.75 118.95 116.12 2wht s ARG 188 Ca 0.14 2.53 -0.07 0.00 -0.52 0.00 0.00 55.73 57.81 2wht s ARG 188 Cb -0.00 -3.18 0.01 0.00 0.52 0.00 0.00 34.95 32.30 2wht s ARG 188 CO 0.09 -0.73 0.54 -3.38 0.02 0.00 0.00 175.30 171.85 2wht s HIS 189 N 1.41 0.76 0.02 -0.53 -3.43 -0.89 -3.63 115.29 109.00 2wht s HIS 189 Ca 0.74 -1.10 0.01 0.00 -0.80 0.00 0.00 55.06 53.91 2wht s HIS 189 Cb -0.47 0.15 -0.01 0.00 -1.43 0.00 0.00 32.58 30.82 2wht s HIS 189 CO 0.32 -1.21 -0.05 -1.21 -2.00 0.00 0.00 174.74 170.59 2wht s GLU 190 N -3.04 0.39 -0.23 -0.38 2.02 -0.28 -0.58 118.70 116.60 2wht s GLU 190 Ca 0.26 -0.44 -0.00 0.00 0.02 0.00 0.00 54.97 54.81 2wht s GLU 190 Cb -0.01 -0.23 0.03 0.00 0.10 0.00 0.00 34.13 34.01 2wht s GLU 190 CO 0.17 0.05 -0.11 0.42 0.02 0.00 0.00 175.26 175.81 2wht s ILE 191 N -0.78 2.56 -0.01 -1.63 1.01 0.30 -0.64 121.20 122.02 2wht s ILE 191 Ca -0.05 -1.08 -0.27 0.00 0.00 0.00 0.00 60.65 59.24 2wht s ILE 191 Cb -0.06 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 2wht s ILE 191 CO -0.00 0.26 0.85 -1.81 0.00 0.00 0.00 174.94 174.24 2wht s ASP 192 N 1.28 7.22 0.05 3.58 1.01 0.06 -0.83 116.67 129.06 2wht s ASP 192 Ca 0.00 1.48 0.04 0.00 0.71 0.00 0.00 52.55 54.78 2wht s ASP 192 Cb -0.16 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.24 2wht s ASP 192 CO -0.07 -0.16 -0.12 -0.13 0.21 0.00 0.00 175.17 174.91 2wht s ARG 193 N 0.73 0.72 -0.07 8.23 0.52 0.67 -1.40 118.95 128.34 2wht s ARG 193 Ca 0.45 -0.83 0.03 0.00 -0.52 0.00 0.00 55.73 54.86 2wht s ARG 193 Cb -0.20 -0.64 0.01 0.00 0.52 0.00 0.00 34.95 34.64 2wht s ARG 193 CO 0.24 0.14 -0.14 0.21 0.02 0.00 0.00 175.30 175.77 2wht s LYS 194 N -1.54 1.96 -0.08 3.54 2.20 -0.41 -1.58 119.74 123.83 2wht s LYS 194 Ca -0.04 -0.50 0.02 0.00 -0.36 0.00 0.00 55.97 55.08 2wht s LYS 194 Cb -0.09 -1.58 0.01 0.00 -1.51 0.00 0.00 37.83 34.67 2wht s LYS 194 CO 0.01 0.06 -0.13 -1.17 -0.36 0.00 0.00 175.35 173.76 2wht s LEU 195 N 0.60 1.61 -0.01 5.43 2.96 -1.26 -1.52 118.68 126.49 2wht s LEU 195 Ca -0.15 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 53.42 2wht s LEU 195 Cb -0.16 -0.91 0.01 0.00 0.50 0.00 0.00 46.19 45.62 2wht s LEU 195 CO 0.05 0.01 -0.01 -1.81 -1.32 0.00 0.00 176.35 173.27 2wht s ASP 196 N 0.90 0.22 -0.17 3.68 1.01 -0.56 -4.49 116.67 117.27 2wht s ASP 196 Ca -0.10 -0.02 -0.29 0.00 0.71 0.00 0.00 52.55 52.85 2wht s ASP 196 Cb -0.15 -0.07 -0.02 0.00 1.01 0.00 0.00 42.92 43.69 2wht s ASP 196 CO 0.01 -0.03 1.31 -0.69 0.21 0.00 0.00 175.17 175.98 2wht s VAL 197 N 0.37 4.19 -0.08 -1.27 1.01 -1.26 -1.10 120.40 122.26 2wht s VAL 197 Ca -0.03 1.43 0.04 0.00 0.00 0.00 0.00 61.98 63.42 2wht s VAL 197 Cb -0.06 -3.95 -0.24 0.00 0.00 0.00 0.00 36.38 32.13 2wht s VAL 197 CO -0.01 -0.16 0.50 0.35 0.00 0.00 0.00 175.10 175.78 2wht n THR 198 N 5.49 1.68 -3.87 3.92 -2.24 0.12 -4.96 114.28 114.40 2wht n THR 198 Ca 0.14 -0.73 -0.08 0.00 -2.27 0.00 0.00 64.05 61.11 2wht n THR 198 Cb 0.45 -1.33 -0.03 0.00 -2.10 0.00 0.00 70.33 67.32 2wht n THR 198 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2wht s SER 199 N -6.49 -0.23 -0.08 3.42 1.04 -1.18 -5.02 113.70 105.17 2wht s SER 199 Ca -0.13 -0.66 -0.30 0.00 0.48 0.00 0.00 55.95 55.34 2wht s SER 199 Cb 0.07 0.69 0.09 0.00 0.10 0.00 0.00 66.02 66.97 2wht s SER 199 CO 0.80 -1.28 0.80 -1.38 0.98 0.00 0.00 173.24 173.16 2wht s HIS 200 N -3.94 -0.54 0.99 5.02 -3.43 -1.26 -0.84 115.29 111.28 2wht s HIS 200 Ca 0.13 0.90 -0.12 0.00 -0.80 0.00 0.00 55.06 55.17 2wht s HIS 200 Cb -0.04 0.43 0.18 0.00 -1.43 0.00 0.00 32.58 31.72 2wht s HIS 200 CO 0.06 -0.52 1.09 0.54 -2.00 0.00 0.00 174.74 173.91 2wht s ASN 201 N -1.23 2.68 0.55 7.38 2.20 0.18 -4.91 114.94 121.78 2wht s ASN 201 Ca -0.07 1.35 0.33 0.00 -0.94 0.00 0.00 52.86 53.53 2wht s ASN 201 Cb -0.00 -2.03 1.48 0.00 -2.00 0.00 0.00 41.25 38.71 2wht s ASN 201 CO 0.06 -3.12 2.04 0.03 -2.94 0.00 0.00 177.10 173.17 2wht h ARG 202 N -1.88 0.00 -0.56 3.55 3.08 -2.02 -1.71 114.38 114.84 2wht h ARG 202 Ca -0.54 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.51 2wht h ARG 202 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2wht h ARG 202 CO 0.55 0.05 0.00 -0.40 -1.07 0.00 0.00 179.97 179.10 2wht n ASP 203 N -3.21 4.22 -2.43 7.04 5.68 -1.26 -4.95 116.55 121.64 2wht n ASP 203 Ca -0.00 -2.38 -0.20 0.00 -0.50 0.00 0.00 54.79 51.71 2wht n ASP 203 Cb 0.28 -0.50 -0.01 0.00 -1.14 0.00 0.00 41.12 39.75 2wht n ASP 203 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 2wht n TYR 204 N 0.88 -1.10 0.42 2.11 4.02 -0.64 -4.51 117.16 118.34 2wht n TYR 204 Ca 0.22 0.02 0.12 0.00 -0.01 0.00 0.00 57.90 58.25 2wht n TYR 204 Cb 0.77 -3.80 0.18 0.00 -0.02 0.00 0.00 39.34 36.48 2wht n TYR 204 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 2wht h THR 205 N -0.04 0.00 -3.84 -0.72 1.35 -1.93 -3.44 112.91 104.29 2wht h THR 205 Ca -0.46 -0.68 -0.48 0.00 -0.55 0.00 0.00 66.41 64.23 2wht h THR 205 Cb 1.34 1.41 -0.31 0.00 -1.73 0.00 0.00 68.15 68.86 2wht h THR 205 CO 0.55 0.00 -0.81 -0.44 -0.25 0.00 0.00 175.52 174.57 2wht s SER 206 N -4.87 1.60 -0.09 5.36 0.01 -1.26 -1.43 113.70 113.01 2wht s SER 206 Ca 0.06 -0.25 -0.14 0.00 1.31 0.00 0.00 55.95 56.92 2wht s SER 206 Cb 0.11 -0.44 0.03 0.00 0.21 0.00 0.00 66.02 65.93 2wht s SER 206 CO 0.70 0.10 0.36 -0.69 0.41 0.00 0.00 173.24 174.12 2wht s VAL 207 N 0.15 0.02 -0.03 3.43 1.01 -0.90 -0.65 120.40 123.43 2wht s VAL 207 Ca -0.04 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.81 2wht s VAL 207 Cb -0.10 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 2wht s VAL 207 CO 0.01 -0.10 -0.16 -1.61 0.00 0.00 0.00 175.10 173.25 2wht s GLU 208 N -0.40 1.53 0.11 2.72 2.02 -0.02 0.05 118.70 124.70 2wht s GLU 208 Ca -0.05 -0.56 0.03 0.00 0.02 0.00 0.00 54.97 54.41 2wht s GLU 208 Cb -0.03 -1.38 -0.04 0.00 0.10 0.00 0.00 34.13 32.78 2wht s GLU 208 CO 0.02 0.26 -0.09 -0.65 0.02 0.00 0.00 175.26 174.83 2wht s GLN 209 N -0.09 0.87 0.08 1.61 -0.21 -0.40 0.12 119.66 121.65 2wht s GLN 209 Ca -0.00 -1.25 0.03 0.00 0.02 0.00 0.00 55.36 54.16 2wht s GLN 209 Cb -0.09 -0.46 -0.03 0.00 1.00 0.00 0.00 33.01 33.43 2wht s GLN 209 CO 0.01 0.05 -0.10 0.00 -2.12 0.00 0.00 175.29 173.13 2wht s GLU 211 N -2.49 0.23 -0.10 0.00 2.12 -0.59 -1.50 118.70 116.37 2wht s GLU 211 Ca 0.02 -0.26 0.03 0.00 0.36 0.00 0.00 54.97 55.11 2wht s GLU 211 Cb -0.05 -0.11 0.01 0.00 0.26 0.00 0.00 34.13 34.24 2wht s GLU 211 CO -0.00 0.02 -0.18 -1.50 -0.54 0.00 0.00 175.26 173.06 2wht s ILE 212 N -0.50 1.66 -0.06 -3.70 -1.16 -0.58 -1.68 121.20 115.19 2wht s ILE 212 Ca -0.04 -0.77 -0.01 0.00 -0.51 0.00 0.00 60.65 59.32 2wht s ILE 212 Cb -0.04 -1.48 0.03 0.00 0.61 0.00 0.00 42.46 41.58 2wht s ILE 212 CO -0.00 0.47 0.00 0.00 -2.81 0.00 0.00 174.94 172.60 2wht s ALA 213 N 0.66 0.57 -0.05 1.50 0.00 -0.37 -1.28 121.76 122.79 2wht s ALA 213 Ca -0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 51.96 51.80 2wht s ALA 213 Cb -0.16 -0.61 0.03 0.00 0.00 0.00 0.00 23.12 22.37 2wht s ALA 213 CO 0.03 -0.33 -0.01 0.42 0.00 0.00 0.00 175.76 175.87 2wht s ILE 214 N 1.68 0.39 0.31 0.00 1.01 -0.49 -1.13 121.20 122.96 2wht s ILE 214 Ca 0.00 0.04 -0.19 0.00 0.00 0.00 0.00 60.65 60.50 2wht s ILE 214 Cb -0.13 -0.49 -0.09 0.00 0.01 0.00 0.00 42.46 41.76 2wht s ILE 214 CO -0.04 0.23 0.80 0.00 0.00 0.00 0.00 174.94 175.93 2wht s ALA 215 N 1.47 3.28 0.17 9.38 0.00 -0.32 -0.76 121.76 134.97 2wht s ALA 215 Ca -0.03 0.20 -0.15 0.00 0.00 0.00 0.00 51.96 51.98 2wht s ALA 215 Cb -0.13 -2.90 0.02 0.00 0.00 0.00 0.00 23.12 20.11 2wht s ALA 215 CO -0.03 0.27 0.44 -0.98 0.00 0.00 0.00 175.76 175.46 2wht s ARG 216 N -2.62 1.24 0.65 0.00 1.70 0.19 -4.45 118.95 115.65 2wht s ARG 216 Ca 0.52 -0.88 -0.18 0.00 -0.47 0.00 0.00 55.73 54.73 2wht s ARG 216 Cb -0.13 0.48 -0.02 0.00 -0.57 0.00 0.00 34.95 34.71 2wht s ARG 216 CO 0.18 -0.50 1.19 0.72 -1.08 0.00 0.00 175.30 175.81 2wht n HIS 217 N -0.28 1.55 -1.68 5.89 8.25 -1.26 -1.13 115.22 126.56 2wht n HIS 217 Ca -0.11 0.42 -0.32 0.00 -0.26 0.00 0.00 57.72 57.45 2wht n HIS 217 Cb 0.63 -2.22 0.04 0.00 1.12 0.00 0.00 29.99 29.57 2wht n HIS 217 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2wht s SER 218 N -1.39 5.33 0.00 0.41 0.01 -1.24 -4.60 113.70 112.23 2wht s SER 218 Ca 0.81 1.75 0.11 0.00 1.31 0.00 0.00 55.95 59.92 2wht s SER 218 Cb -0.38 -2.52 0.65 0.00 0.21 0.00 0.00 66.02 63.98 2wht s SER 218 CO 0.43 -1.47 1.09 -0.11 0.41 0.00 0.00 173.24 173.58