#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2whs n VAL 3 N 0.00 0.00 -3.73 2.46 0.31 -1.26 -4.93 118.33 111.19 2whs n VAL 3 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 2whs n VAL 3 Cb 0.00 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.81 2whs n VAL 3 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2whs s ILE 4 N -0.21 3.99 0.90 2.52 1.01 -1.26 -4.89 121.20 123.25 2whs s ILE 4 Ca 0.00 -0.94 -0.14 0.00 0.00 0.00 0.00 60.65 59.57 2whs s ILE 4 Cb 0.00 -3.19 0.14 0.00 0.01 0.00 0.00 42.46 39.42 2whs s ILE 4 CO 0.00 -0.11 1.23 0.00 0.00 0.00 0.00 174.94 176.06 2whs s ALA 5 N 1.46 2.32 0.18 9.38 0.00 -1.26 -4.94 121.76 128.90 2whs s ALA 5 Ca 0.00 -0.88 0.23 0.00 0.00 0.00 0.00 51.96 51.32 2whs s ALA 5 Cb -0.19 -2.89 0.93 0.00 0.00 0.00 0.00 23.12 20.97 2whs s ALA 5 CO 0.03 -2.12 1.84 0.87 0.00 0.00 0.00 175.76 176.38 2whs h LYS 6 N -1.40 0.00 -3.98 0.00 1.57 -1.98 -3.41 116.57 107.37 2whs h LYS 6 Ca -0.46 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 57.86 2whs h LYS 6 Cb 1.29 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 33.23 2whs h LYS 6 CO 0.53 0.25 -0.78 -1.14 -0.57 0.00 0.00 179.45 177.74 2whs s GLN 7 N -3.72 1.00 0.13 3.15 2.00 -1.26 -3.89 119.66 117.06 2whs s GLN 7 Ca -0.00 -0.08 0.05 0.00 -2.00 0.00 0.00 55.36 53.33 2whs s GLN 7 Cb 0.11 -1.15 -0.04 0.00 0.80 0.00 0.00 33.01 32.73 2whs s GLN 7 CO 0.64 -0.22 -0.12 -1.64 -0.50 0.00 0.00 175.29 173.45 2whs s MET 8 N 1.58 1.04 0.53 1.67 -1.94 -0.71 -5.03 119.30 116.45 2whs s MET 8 Ca 0.00 -1.33 0.03 0.00 -1.71 0.00 0.00 55.69 52.68 2whs s MET 8 Cb -0.13 -0.77 0.01 0.00 2.01 0.00 0.00 34.83 35.95 2whs s MET 8 CO -0.04 0.13 0.17 0.95 -0.01 0.00 0.00 175.02 176.21 2whs s THR 9 N -2.68 1.32 0.07 2.05 -4.23 -0.46 -1.65 115.64 110.07 2whs s THR 9 Ca 0.12 -1.79 -0.20 0.00 -1.18 0.00 0.00 61.69 58.64 2whs s THR 9 Cb -0.02 -2.11 0.05 0.00 1.34 0.00 0.00 72.50 71.76 2whs s THR 9 CO 0.02 0.00 0.48 -0.72 -0.54 0.00 0.00 174.62 173.86 2whs s TYR 10 N -2.84 -0.36 -0.10 3.99 -0.85 0.14 -1.48 117.35 115.85 2whs s TYR 10 Ca 0.16 0.31 0.04 0.00 -0.52 0.00 0.00 57.07 57.07 2whs s TYR 10 Cb -0.00 0.32 -0.00 0.00 0.38 0.00 0.00 41.96 42.65 2whs s TYR 10 CO 0.10 -0.65 -0.24 0.21 -1.52 0.00 0.00 175.55 173.45 2whs s LYS 11 N -2.76 3.01 -0.07 -3.49 2.47 -0.10 -0.30 119.74 118.50 2whs s LYS 11 Ca -0.04 -0.88 0.05 0.00 -1.56 0.00 0.00 55.97 53.55 2whs s LYS 11 Cb -0.00 -2.28 -0.01 0.00 -1.46 0.00 0.00 37.83 34.07 2whs s LYS 11 CO -0.04 0.19 -0.24 0.54 0.16 0.00 0.00 175.35 175.96 2whs s VAL 12 N 0.32 2.13 -0.23 4.02 0.11 -0.46 -0.39 120.40 125.90 2whs s VAL 12 Ca -0.18 -1.03 -0.02 0.00 -2.93 0.00 0.00 61.98 57.82 2whs s VAL 12 Cb -0.18 -1.79 0.01 0.00 -1.53 0.00 0.00 36.38 32.90 2whs s VAL 12 CO 0.09 0.57 -0.08 -0.31 -3.33 0.00 0.00 175.10 172.03 2whs s TYR 13 N -0.02 2.98 -0.06 1.54 1.51 0.17 -1.27 117.35 122.20 2whs s TYR 13 Ca -0.08 -1.39 0.05 0.00 -1.01 0.00 0.00 57.07 54.64 2whs s TYR 13 Cb -0.15 -2.05 -0.00 0.00 -0.11 0.00 0.00 41.96 39.65 2whs s TYR 13 CO 0.05 -0.69 -0.21 1.41 -1.11 0.00 0.00 175.55 175.00 2whs s MET 14 N 1.36 2.26 0.03 -0.62 1.75 -0.02 0.31 119.30 124.38 2whs s MET 14 Ca 0.03 -0.75 -0.00 0.00 -1.25 0.00 0.00 55.69 53.71 2whs s MET 14 Cb -0.15 -1.89 -0.03 0.00 2.84 0.00 0.00 34.83 35.60 2whs s MET 14 CO -0.06 0.27 -0.03 -1.54 -0.65 0.00 0.00 175.02 173.01 2whs s SER 15 N 0.05 0.39 0.00 1.11 1.04 -0.74 0.19 113.70 115.74 2whs s SER 15 Ca -0.07 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.64 2whs s SER 15 Cb -0.14 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.12 2whs s SER 15 CO 0.04 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.45 2whs n GLY 16 N 0.95 -0.79 2.87 7.32 0.00 -0.52 -2.15 105.19 112.86 2whs n GLY 16 Ca -0.20 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 2whs n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2whs s THR 17 N -3.00 0.59 -0.22 2.61 2.01 -0.66 -1.04 115.64 115.94 2whs s THR 17 Ca 0.00 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.90 2whs s THR 17 Cb 0.00 -0.64 0.02 0.00 0.01 0.00 0.00 72.50 71.89 2whs s THR 17 CO 0.00 0.26 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.39 2whs s VAL 18 N 1.29 2.61 -1.45 3.82 1.01 -0.51 -0.82 120.40 126.34 2whs s VAL 18 Ca -0.05 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 60.91 2whs s VAL 18 Cb -0.14 -2.23 0.05 0.00 0.00 0.00 0.00 36.38 34.07 2whs s VAL 18 CO -0.02 0.36 0.91 0.59 0.00 0.00 0.00 175.10 176.94 2whs n ASN 19 N 4.66 -3.75 0.00 3.32 4.13 0.16 -0.73 115.26 123.05 2whs n ASN 19 Ca -0.18 -0.78 0.00 0.00 1.68 0.00 0.00 54.58 55.30 2whs n ASN 19 Cb 0.49 -4.00 0.00 0.00 -1.54 0.00 0.00 39.78 34.72 2whs n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2whs n GLY 20 N -1.68 1.57 3.56 7.41 0.00 -1.26 -5.00 105.19 109.79 2whs n GLY 20 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 2whs n GLY 20 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2whs s HIS 21 N -3.60 3.20 0.19 1.61 5.04 0.09 -5.05 115.29 116.77 2whs s HIS 21 Ca 0.00 0.19 -0.28 0.00 -1.54 0.00 0.00 55.06 53.44 2whs s HIS 21 Cb 0.00 -2.84 -0.08 0.00 0.04 0.00 0.00 32.58 29.70 2whs s HIS 21 CO 0.00 -0.48 0.86 -0.47 -2.34 0.00 0.00 174.74 172.31 2whs s TYR 22 N 2.30 3.94 0.15 3.88 5.04 -1.26 -1.43 117.35 129.97 2whs s TYR 22 Ca 0.17 1.77 -0.11 0.00 -2.44 0.00 0.00 57.07 56.46 2whs s TYR 22 Cb -0.16 -2.88 0.00 0.00 0.35 0.00 0.00 41.96 39.28 2whs s TYR 22 CO 0.12 0.47 0.31 -0.59 -1.34 0.00 0.00 175.55 174.53 2whs s PHE 23 N -1.09 0.21 0.04 4.97 -0.12 -0.20 -4.31 117.98 117.47 2whs s PHE 23 Ca 0.39 -0.58 0.04 0.00 -0.05 0.00 0.00 56.93 56.73 2whs s PHE 23 Cb -0.24 0.04 -0.02 0.00 -0.63 0.00 0.00 43.02 42.17 2whs s PHE 23 CO 0.29 -0.71 -0.12 -1.21 -0.05 0.00 0.00 175.22 173.42 2whs s GLU 24 N -3.91 0.78 0.02 1.99 2.02 0.26 -1.43 118.70 118.42 2whs s GLU 24 Ca 0.12 -0.72 0.03 0.00 0.02 0.00 0.00 54.97 54.42 2whs s GLU 24 Cb 0.03 -0.74 -0.01 0.00 0.10 0.00 0.00 34.13 33.50 2whs s GLU 24 CO -0.04 0.18 -0.10 0.08 0.02 0.00 0.00 175.26 175.40 2whs s VAL 25 N -0.93 0.76 -0.02 2.63 1.01 0.13 -0.87 120.40 123.10 2whs s VAL 25 Ca -0.01 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.36 2whs s VAL 25 Cb -0.08 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 2whs s VAL 25 CO 0.01 0.03 -0.21 -1.61 0.00 0.00 0.00 175.10 173.31 2whs s GLU 26 N -0.72 1.81 0.09 2.72 2.02 -0.41 -0.84 118.70 123.37 2whs s GLU 26 Ca 0.00 -0.76 0.05 0.00 0.02 0.00 0.00 54.97 54.28 2whs s GLU 26 Cb -0.06 -1.71 -0.03 0.00 0.10 0.00 0.00 34.13 32.43 2whs s GLU 26 CO 0.00 0.44 -0.14 0.20 0.02 0.00 0.00 175.26 175.78 2whs s GLY 27 N -0.43 0.95 -0.17 -1.39 0.00 -0.40 -1.12 107.32 104.76 2whs s GLY 27 Ca 0.06 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.67 2whs s GLY 27 CO -0.00 -1.16 -0.19 0.99 0.00 0.00 0.00 173.10 172.74 2whs s ASP 28 N -2.03 3.27 0.29 1.64 1.01 -0.61 -1.35 116.67 118.89 2whs s ASP 28 Ca 0.02 -0.59 0.09 0.00 0.71 0.00 0.00 52.55 52.78 2whs s ASP 28 Cb -0.08 -1.50 -0.06 0.00 1.01 0.00 0.00 42.92 42.30 2whs s ASP 28 CO 0.02 0.04 -0.11 -0.83 0.21 0.00 0.00 175.17 174.50 2whs s GLY 29 N 1.07 1.90 0.04 0.21 0.00 0.59 -1.29 107.32 109.84 2whs s GLY 29 Ca -0.01 -1.93 -0.20 0.00 0.00 0.00 0.00 44.72 42.59 2whs s GLY 29 CO -0.07 -1.92 0.45 -1.59 0.00 0.00 0.00 173.10 169.98 2whs s LYS 30 N -3.64 0.95 0.00 2.90 -2.85 0.04 -0.68 119.74 116.46 2whs s LYS 30 Ca 0.30 -0.29 0.00 0.00 -1.00 0.00 0.00 55.97 54.98 2whs s LYS 30 Cb 0.01 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 36.21 2whs s LYS 30 CO 0.13 -0.33 0.00 0.41 0.10 0.00 0.00 175.35 175.67 2whs n GLY 31 N 0.53 -0.75 2.97 0.59 0.00 -0.66 -0.65 105.19 107.23 2whs n GLY 31 Ca -0.19 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 2whs n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2whs s LYS 32 N -0.38 1.57 0.35 1.61 1.02 -0.13 -1.73 119.74 122.04 2whs s LYS 32 Ca 0.00 -2.05 0.08 0.00 0.02 0.00 0.00 55.97 54.02 2whs s LYS 32 Cb 0.00 -3.13 0.79 0.00 -0.52 0.00 0.00 37.83 34.96 2whs s LYS 32 CO 0.00 -1.00 1.89 -1.35 -0.92 0.00 0.00 175.35 173.97 2whs h PRO 33 N 7.29 0.70 -0.00 -1.68 0.11 -1.80 -1.29 132.00 135.34 2whs h PRO 33 Ca -0.06 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.01 2whs h PRO 33 Cb 0.98 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2whs h PRO 33 CO 0.56 0.47 -0.13 0.66 -0.21 0.00 0.00 178.00 179.35 2whs n TYR 34 N -4.54 0.00 0.73 0.65 4.01 -1.26 -3.33 117.16 113.41 2whs n TYR 34 Ca 0.16 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.99 2whs n TYR 34 Cb 0.41 -0.36 0.05 0.00 -0.31 0.00 0.00 39.34 39.13 2whs n TYR 34 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2whs n GLU 35 N -1.37 1.50 -1.50 -0.72 1.02 -0.54 -4.68 120.64 114.34 2whs n GLU 35 Ca 0.09 -1.28 -0.11 0.00 -0.02 0.00 0.00 57.16 55.84 2whs n GLU 35 Cb 0.32 -1.32 -0.04 0.00 -0.02 0.00 0.00 31.44 30.38 2whs n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2whs n GLY 36 N 1.04 0.97 3.45 0.62 0.00 -0.88 -4.66 105.19 105.74 2whs n GLY 36 Ca 0.09 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 2whs n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2whs s GLU 37 N -3.26 2.67 -0.20 1.61 2.02 -1.17 -1.44 118.70 118.92 2whs s GLU 37 Ca 0.00 -0.70 -0.18 0.00 0.02 0.00 0.00 54.97 54.11 2whs s GLU 37 Cb 0.00 -2.42 0.05 0.00 0.10 0.00 0.00 34.13 31.87 2whs s GLU 37 CO 0.00 0.54 0.53 -1.14 0.02 0.00 0.00 175.26 175.21 2whs s GLN 38 N -0.51 0.61 0.06 1.61 0.74 -0.92 -0.96 119.66 120.29 2whs s GLN 38 Ca 0.07 0.74 0.03 0.00 0.05 0.00 0.00 55.36 56.25 2whs s GLN 38 Cb -0.12 0.29 -0.03 0.00 1.10 0.00 0.00 33.01 34.26 2whs s GLN 38 CO 0.02 -0.08 -0.10 -0.08 -0.55 0.00 0.00 175.29 174.50 2whs s THR 39 N 0.32 0.78 -0.05 -0.34 -1.32 0.17 -0.67 115.64 114.53 2whs s THR 39 Ca -0.00 -1.23 -0.06 0.00 -1.21 0.00 0.00 61.69 59.19 2whs s THR 39 Cb -0.04 -0.86 0.01 0.00 -1.51 0.00 0.00 72.50 70.10 2whs s THR 39 CO 0.00 -0.35 0.15 0.54 -2.21 0.00 0.00 174.62 172.75 2whs s VAL 40 N -1.48 0.01 -0.19 5.08 0.11 0.07 -0.78 120.40 123.21 2whs s VAL 40 Ca -0.05 -0.06 -0.04 0.00 -2.93 0.00 0.00 61.98 58.89 2whs s VAL 40 Cb -0.09 -0.24 -0.02 0.00 -1.53 0.00 0.00 36.38 34.49 2whs s VAL 40 CO 0.01 -0.04 -0.02 -0.54 -3.33 0.00 0.00 175.10 171.19 2whs s LYS 41 N -0.05 3.59 0.12 1.54 1.02 -0.41 -1.03 119.74 124.52 2whs s LYS 41 Ca -0.01 -0.54 0.08 0.00 0.02 0.00 0.00 55.97 55.52 2whs s LYS 41 Cb -0.02 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.23 2whs s LYS 41 CO 0.00 0.03 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.81 2whs s LEU 42 N 0.92 2.84 -0.05 3.17 2.01 0.19 -1.58 118.68 126.18 2whs s LEU 42 Ca 0.01 -0.51 0.03 0.00 0.01 0.00 0.00 54.13 53.66 2whs s LEU 42 Cb -0.14 -1.64 0.01 0.00 0.01 0.00 0.00 46.19 44.42 2whs s LEU 42 CO 0.02 0.17 -0.13 -0.89 1.01 0.00 0.00 176.35 176.52 2whs s THR 43 N -1.24 1.14 -0.47 5.49 2.01 -0.28 -1.52 115.64 120.77 2whs s THR 43 Ca 0.20 -0.52 -0.29 0.00 0.31 0.00 0.00 61.69 61.39 2whs s THR 43 Cb -0.10 -1.02 0.02 0.00 0.01 0.00 0.00 72.50 71.41 2whs s THR 43 CO 0.12 0.35 1.24 -0.69 -0.69 0.00 0.00 174.62 174.95 2whs s VAL 44 N 0.40 4.08 -0.52 3.82 1.01 -0.22 -1.29 120.40 127.68 2whs s VAL 44 Ca -0.09 1.08 0.23 0.00 0.00 0.00 0.00 61.98 63.20 2whs s VAL 44 Cb -0.13 -4.47 -0.09 0.00 0.00 0.00 0.00 36.38 31.69 2whs s VAL 44 CO 0.03 -0.96 1.03 0.35 0.00 0.00 0.00 175.10 175.55 2whs n THR 45 N 6.93 0.25 -3.65 3.92 -2.24 -0.05 -4.79 114.28 114.65 2whs n THR 45 Ca 0.13 -0.31 -0.11 0.00 -2.27 0.00 0.00 64.05 61.49 2whs n THR 45 Cb 0.49 0.06 -0.08 0.00 -2.10 0.00 0.00 70.33 68.70 2whs n THR 45 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2whs s LYS 46 N -3.24 0.71 0.00 -0.78 2.20 -1.12 -4.91 119.74 112.60 2whs s LYS 46 Ca 0.03 1.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.66 2whs s LYS 46 Cb 0.13 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.70 2whs s LYS 46 CO 0.80 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 176.08 2whs n GLY 47 N 3.48 0.60 3.95 5.54 0.00 -1.26 -0.57 105.19 116.92 2whs n GLY 47 Ca -0.17 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 2whs n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2whs s GLY 48 N -2.48 1.47 0.34 -0.02 0.00 -1.26 -3.94 107.32 101.43 2whs s GLY 48 Ca 0.00 -1.01 -0.28 0.00 0.00 0.00 0.00 44.72 43.44 2whs s GLY 48 CO 0.00 -0.99 1.20 2.56 0.00 0.00 0.00 173.10 175.87 2whs s PRO 49 N -3.79 4.32 0.26 2.90 0.04 -1.26 -5.10 135.00 132.37 2whs s PRO 49 Ca 0.37 1.97 -0.30 0.00 0.04 0.00 0.00 61.00 63.08 2whs s PRO 49 Cb -0.10 -2.95 -0.10 0.00 0.04 0.00 0.00 34.50 31.39 2whs s PRO 49 CO 0.31 -0.13 1.41 -0.51 0.04 0.00 0.00 177.00 178.12 2whs s LEU 50 N -1.96 4.39 -0.09 -3.56 1.43 -1.25 -4.92 118.68 112.71 2whs s LEU 50 Ca 0.51 2.66 0.06 0.00 -1.03 0.00 0.00 54.13 56.33 2whs s LEU 50 Cb -0.34 -3.63 0.34 0.00 0.03 0.00 0.00 46.19 42.59 2whs s LEU 50 CO 0.44 -0.67 1.03 -0.81 0.23 0.00 0.00 176.35 176.57 2whs n PRO 51 N 2.04 2.57 -4.31 1.29 -0.04 -1.26 -4.88 135.00 130.42 2whs n PRO 51 Ca 0.05 -1.29 -0.16 0.00 -0.04 0.00 0.00 63.50 62.06 2whs n PRO 51 Cb 0.41 -1.79 -0.10 0.00 -0.04 0.00 0.00 33.50 31.97 2whs n PRO 51 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2whs s PHE 52 N -1.72 1.49 0.08 0.54 -0.12 -1.26 -4.68 117.98 112.30 2whs s PHE 52 Ca 0.22 -1.18 -0.31 0.00 -0.05 0.00 0.00 56.93 55.62 2whs s PHE 52 Cb 0.17 -0.87 -0.08 0.00 -0.63 0.00 0.00 43.02 41.61 2whs s PHE 52 CO 0.07 -0.34 1.60 0.00 -0.05 0.00 0.00 175.22 176.49 2whs s ALA 53 N -3.77 3.68 0.27 1.99 0.00 0.58 -4.91 121.76 119.60 2whs s ALA 53 Ca 0.37 1.19 -0.00 0.00 0.00 0.00 0.00 51.96 53.51 2whs s ALA 53 Cb 0.08 -3.66 0.55 0.00 0.00 0.00 0.00 23.12 20.08 2whs s ALA 53 CO 0.13 -1.01 1.77 2.35 0.00 0.00 0.00 175.76 179.00 2whs h TRP 54 N 7.97 0.83 -0.84 0.00 2.91 -1.95 -2.93 115.95 121.93 2whs h TRP 54 Ca -0.42 0.03 0.24 0.00 1.13 0.00 0.00 58.89 59.88 2whs h TRP 54 Cb 1.20 -0.24 -0.03 0.00 -0.51 0.00 0.00 29.16 29.58 2whs h TRP 54 CO 0.75 0.22 0.71 -0.44 -1.03 0.00 0.00 178.44 178.65 2whs h ASP 55 N 0.68 0.00 1.24 2.65 3.32 -1.95 0.23 116.42 122.59 2whs h ASP 55 Ca 0.47 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.52 2whs h ASP 55 Cb 0.64 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 2whs h ASP 55 CO -0.35 0.00 -0.03 0.16 -1.72 0.00 0.00 179.24 177.30 2whs h ILE 56 N 0.00 0.07 0.00 0.35 3.07 -1.92 -2.87 117.51 116.20 2whs h ILE 56 Ca 0.40 -0.70 -0.24 0.00 1.55 0.00 0.00 64.86 65.87 2whs h ILE 56 Cb 1.82 1.66 -0.04 0.00 -0.27 0.00 0.00 36.82 39.99 2whs h ILE 56 CO -0.00 0.03 -1.30 -0.07 -1.05 0.00 0.00 178.15 175.75 2whs h LEU 57 N 0.00 0.00 -0.92 0.16 3.38 -0.74 -3.41 115.31 113.78 2whs h LEU 57 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2whs h LEU 57 Cb 0.66 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 2whs h LEU 57 CO 0.00 0.98 0.60 0.77 0.09 0.00 0.00 178.44 180.88 2whs h SER 58 N 0.00 1.00 0.00 -0.43 4.64 -1.34 -0.49 113.55 116.93 2whs h SER 58 Ca -0.13 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2whs h SER 58 Cb 1.86 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 2whs h SER 58 CO 0.10 0.69 0.00 -0.81 -0.87 0.00 0.00 176.83 175.94 2whs n PRO 59 N -4.50 0.62 0.00 4.77 -0.05 -1.26 -2.48 135.00 132.10 2whs n PRO 59 Ca 0.12 0.00 0.11 0.00 -0.05 0.00 0.00 63.50 63.68 2whs n PRO 59 Cb 0.09 -1.44 -0.03 0.00 -0.05 0.00 0.00 33.50 32.07 2whs n PRO 59 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 175.50 176.49 2whs n GLN 60 N -0.94 1.00 -1.25 0.54 1.13 -0.19 -4.83 117.38 112.83 2whs n GLN 60 Ca 0.13 -0.81 -0.31 0.00 -1.94 0.00 0.00 57.00 54.06 2whs n GLN 60 Cb 0.06 -1.48 0.08 0.00 0.11 0.00 0.00 30.24 29.01 2whs n GLN 60 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2whs n LEU 61 N -0.30 7.45 0.00 1.08 4.77 -1.04 -4.95 117.00 124.02 2whs n LEU 61 Ca 0.08 -4.09 0.00 0.00 -0.03 0.00 0.00 56.01 51.97 2whs n LEU 61 Cb 0.44 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 2whs n LEU 61 CO 0.31 1.40 0.00 -0.24 -1.33 0.00 0.00 177.39 177.53 2whs n SER 65 N -0.75 0.00 0.25 -1.43 2.88 -1.26 -5.01 113.62 108.30 2whs n SER 65 Ca 0.58 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 58.25 2whs n SER 65 Cb 0.71 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.75 2whs n SER 65 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2whs h ILE 66 N 0.00 0.33 0.00 2.46 1.08 -2.00 -2.92 117.51 116.46 2whs h ILE 66 Ca 0.00 -0.82 0.00 0.00 -0.39 0.00 0.00 64.86 63.65 2whs h ILE 66 Cb 0.00 1.63 0.00 0.00 -3.07 0.00 0.00 36.82 35.38 2whs h ILE 66 CO 0.00 0.12 0.06 -0.65 -0.69 0.00 0.00 178.15 177.00 2whs h PRO 67 N 0.00 0.00 -1.72 2.37 0.11 -1.97 -2.82 132.00 127.96 2whs h PRO 67 Ca -0.00 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.80 2whs h PRO 67 Cb 0.62 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.61 2whs h PRO 67 CO 0.02 0.00 0.29 1.19 -0.21 0.00 0.00 178.00 179.29 2whs n PHE 68 N -2.89 1.22 -4.39 0.65 3.01 -1.10 -4.74 117.46 109.21 2whs n PHE 68 Ca -0.03 -1.79 -0.34 0.00 1.01 0.00 0.00 57.45 56.30 2whs n PHE 68 Cb 0.12 -1.03 -0.14 0.00 -0.01 0.00 0.00 39.48 38.43 2whs n PHE 68 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2whs s THR 69 N -1.71 3.31 -0.17 4.37 2.01 -1.07 -3.98 115.64 118.40 2whs s THR 69 Ca 0.35 -0.55 -0.29 0.00 0.31 0.00 0.00 61.69 61.51 2whs s THR 69 Cb 0.24 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 2whs s THR 69 CO -0.05 0.48 1.67 -0.75 -0.69 0.00 0.00 174.62 175.28 2whs s LYS 70 N 0.75 3.86 -0.11 4.92 2.20 -0.84 -4.68 119.74 125.84 2whs s LYS 70 Ca -0.04 1.84 -0.02 0.00 -0.36 0.00 0.00 55.97 57.40 2whs s LYS 70 Cb -0.15 -4.04 -0.03 0.00 -1.51 0.00 0.00 37.83 32.10 2whs s LYS 70 CO 0.02 -1.22 -0.04 0.71 -0.36 0.00 0.00 175.35 174.46 2whs s TYR 71 N 5.06 3.02 0.74 4.03 1.51 -1.26 -0.78 117.35 129.68 2whs s TYR 71 Ca 0.74 -0.06 -0.11 0.00 -1.01 0.00 0.00 57.07 56.63 2whs s TYR 71 Cb -0.28 -1.82 0.04 0.00 -0.11 0.00 0.00 41.96 39.78 2whs s TYR 71 CO 0.30 0.22 1.08 -1.25 -1.11 0.00 0.00 175.55 174.78 2whs s PRO 72 N -0.37 2.53 0.48 -1.71 0.04 -1.26 -4.90 135.00 129.81 2whs s PRO 72 Ca 0.06 1.00 0.20 0.00 0.04 0.00 0.00 61.00 62.30 2whs s PRO 72 Cb -0.12 -1.94 1.23 0.00 0.04 0.00 0.00 34.50 33.71 2whs s PRO 72 CO 0.02 -1.40 1.97 0.93 0.04 0.00 0.00 177.00 178.56 2whs h GLU 73 N -0.94 0.19 -0.01 4.56 5.08 -2.00 -2.26 114.58 119.21 2whs h GLU 73 Ca -0.44 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2whs h GLU 73 Cb 1.23 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2whs h GLU 73 CO 0.55 0.13 -0.28 -0.40 -1.00 0.00 0.00 179.01 178.00 2whs n ASP 74 N -4.43 1.22 -4.37 1.42 5.75 -1.26 -4.68 116.55 110.20 2whs n ASP 74 Ca 0.11 -1.02 -0.38 0.00 -0.01 0.00 0.00 54.79 53.49 2whs n ASP 74 Cb 0.55 0.19 -0.12 0.00 -1.03 0.00 0.00 41.12 40.70 2whs n ASP 74 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2whs s ILE 75 N -2.48 4.22 0.21 2.12 1.01 -0.85 -5.02 121.20 120.40 2whs s ILE 75 Ca 0.24 -0.66 -0.31 0.00 0.00 0.00 0.00 60.65 59.92 2whs s ILE 75 Cb 0.19 -3.20 -0.15 0.00 0.01 0.00 0.00 42.46 39.31 2whs s ILE 75 CO 0.52 0.02 1.16 -2.65 0.00 0.00 0.00 174.94 174.00 2whs n PRO 76 N 4.91 1.34 -3.21 2.79 -0.02 -1.26 -4.64 135.00 134.92 2whs n PRO 76 Ca -0.14 0.48 -0.46 0.00 -2.02 0.00 0.00 63.50 61.36 2whs n PRO 76 Cb 0.48 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 2whs n PRO 76 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2whs s ASP 77 N -0.09 6.59 0.21 2.55 -1.08 -1.26 -4.45 116.67 119.15 2whs s ASP 77 Ca 0.69 -2.28 -0.11 0.00 -0.52 0.00 0.00 52.55 50.33 2whs s ASP 77 Cb -0.78 -2.27 0.29 0.00 -1.46 0.00 0.00 42.92 38.71 2whs s ASP 77 CO 0.54 -0.79 1.66 0.22 0.52 0.00 0.00 175.17 177.32 2whs h TYR 78 N 8.33 -0.05 -0.21 -5.34 3.20 -1.90 -1.41 116.97 119.59 2whs h TYR 78 Ca 0.02 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 2whs h TYR 78 Cb 1.05 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 2whs h TYR 78 CO 1.01 -0.17 -0.12 0.74 -1.64 0.00 0.00 178.16 177.98 2whs h PHE 79 N 0.11 0.52 -0.53 -3.82 0.04 -1.92 -2.74 116.94 108.60 2whs h PHE 79 Ca 0.32 -0.14 -0.10 0.00 2.80 0.00 0.00 57.97 60.86 2whs h PHE 79 Cb 0.52 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 2whs h PHE 79 CO -0.37 0.75 -0.05 0.87 -0.60 0.00 0.00 178.31 178.91 2whs h LYS 80 N 0.15 0.95 0.00 1.51 1.57 -1.85 -2.97 116.57 115.92 2whs h LYS 80 Ca 0.04 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 2whs h LYS 80 Cb 0.62 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 2whs h LYS 80 CO 0.03 0.97 -0.08 1.96 -0.57 0.00 0.00 179.45 181.76 2whs h GLN 81 N 0.86 0.00 0.00 3.15 4.20 -1.19 -2.91 115.11 119.23 2whs h GLN 81 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2whs h GLN 81 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2whs h GLN 81 CO 0.03 0.08 0.00 0.66 -0.67 0.00 0.00 178.83 178.93 2whs h SER 82 N 0.00 0.00 -3.82 1.46 4.64 -1.31 -3.45 113.55 111.06 2whs h SER 82 Ca -0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 2whs h SER 82 Cb 0.16 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.27 2whs h SER 82 CO 0.01 0.00 0.19 -0.36 -0.87 0.00 0.00 176.83 175.80 2whs s PHE 83 N -3.50 3.51 -0.12 4.77 0.40 -1.10 -0.84 117.98 121.10 2whs s PHE 83 Ca 0.02 1.08 0.30 0.00 -0.60 0.00 0.00 56.93 57.73 2whs s PHE 83 Cb 0.09 -2.50 1.16 0.00 0.51 0.00 0.00 43.02 42.29 2whs s PHE 83 CO 0.41 -0.26 1.88 -1.00 0.70 0.00 0.00 175.22 176.95 2whs h PRO 84 N 0.76 0.00 -0.13 0.24 0.13 -1.90 -3.46 132.00 127.65 2whs h PRO 84 Ca -0.47 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.68 2whs h PRO 84 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2whs h PRO 84 CO 0.63 0.00 0.03 0.93 -0.23 0.00 0.00 178.00 179.36 2whs h GLU 85 N 0.00 0.09 0.00 0.86 3.07 -1.92 -3.37 114.58 113.31 2whs h GLU 85 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2whs h GLU 85 Cb 0.53 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 2whs h GLU 85 CO 0.00 0.06 0.00 0.41 -1.40 0.00 0.00 179.01 178.08 2whs n GLY 86 N -1.14 -1.25 3.69 -3.84 0.00 -0.02 -4.66 105.19 97.98 2whs n GLY 86 Ca -0.04 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 43.80 2whs n GLY 86 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2whs s TYR 87 N 0.00 0.19 0.17 1.61 -0.85 -1.02 -0.79 117.35 116.66 2whs s TYR 87 Ca 0.00 -0.60 0.08 0.00 -0.52 0.00 0.00 57.07 56.03 2whs s TYR 87 Cb 0.00 0.40 -0.04 0.00 0.38 0.00 0.00 41.96 42.70 2whs s TYR 87 CO 0.00 -1.12 -0.16 0.95 -1.52 0.00 0.00 175.55 173.70 2whs s THR 88 N -3.83 1.67 0.08 -3.49 -4.23 0.87 -0.52 115.64 106.19 2whs s THR 88 Ca 0.18 -1.99 -0.03 0.00 -1.18 0.00 0.00 61.69 58.68 2whs s THR 88 Cb -0.03 -1.85 -0.03 0.00 1.34 0.00 0.00 72.50 71.93 2whs s THR 88 CO 0.09 -0.45 0.04 -1.66 -0.54 0.00 0.00 174.62 172.10 2whs s TRP 89 N -2.45 0.54 -0.04 3.99 1.48 -0.78 -0.60 118.94 121.08 2whs s TRP 89 Ca 0.17 -1.02 0.02 0.00 -1.06 0.00 0.00 56.10 54.21 2whs s TRP 89 Cb -0.03 -0.34 0.01 0.00 -1.16 0.00 0.00 33.47 31.95 2whs s TRP 89 CO 0.06 -0.46 -0.09 -1.21 -4.06 0.00 0.00 176.95 171.19 2whs s GLU 90 N -3.94 1.14 0.01 3.25 0.41 -0.89 -0.18 118.70 118.50 2whs s GLU 90 Ca 0.11 -0.29 0.02 0.00 -0.41 0.00 0.00 54.97 54.40 2whs s GLU 90 Cb 0.07 -1.03 -0.01 0.00 -1.78 0.00 0.00 34.13 31.38 2whs s GLU 90 CO -0.07 0.05 -0.07 0.50 -0.49 0.00 0.00 175.26 175.18 2whs s ARG 91 N 0.47 0.56 -0.13 1.61 3.52 0.84 -1.50 118.95 124.31 2whs s ARG 91 Ca -0.08 -0.39 -0.02 0.00 -0.13 0.00 0.00 55.73 55.11 2whs s ARG 91 Cb -0.12 -0.50 -0.02 0.00 -1.56 0.00 0.00 34.95 32.75 2whs s ARG 91 CO 0.01 0.13 -0.07 -1.12 -0.81 0.00 0.00 175.30 173.44 2whs s SER 92 N -0.55 4.53 -0.26 -2.12 0.01 0.43 0.18 113.70 115.93 2whs s SER 92 Ca -0.00 -0.17 -0.04 0.00 1.31 0.00 0.00 55.95 57.04 2whs s SER 92 Cb -0.05 -1.63 0.01 0.00 0.21 0.00 0.00 66.02 64.56 2whs s SER 92 CO 0.00 0.20 -0.00 -0.04 0.41 0.00 0.00 173.24 173.81 2whs s MET 93 N 0.18 3.07 -0.43 12.44 1.00 0.57 -1.02 119.30 135.10 2whs s MET 93 Ca -0.04 -0.84 -0.08 0.00 0.00 0.00 0.00 55.69 54.73 2whs s MET 93 Cb -0.14 -3.14 0.10 0.00 0.00 0.00 0.00 34.83 31.65 2whs s MET 93 CO 0.04 -0.37 0.28 -0.80 0.00 0.00 0.00 175.02 174.17 2whs s ASN 94 N 1.43 5.59 0.60 3.03 0.01 -0.20 -1.10 114.94 124.30 2whs s ASN 94 Ca 0.02 -1.73 -0.10 0.00 -0.71 0.00 0.00 52.86 50.35 2whs s ASN 94 Cb -0.16 -1.97 -0.03 0.00 0.41 0.00 0.00 41.25 39.50 2whs s ASN 94 CO -0.01 -0.59 0.98 -0.36 -1.51 0.00 0.00 177.10 175.60 2whs s PHE 95 N 1.36 3.56 0.32 2.20 0.08 -0.56 -1.09 117.98 123.85 2whs s PHE 95 Ca 0.05 1.13 0.14 0.00 0.12 0.00 0.00 56.93 58.36 2whs s PHE 95 Cb -0.24 -2.68 0.68 0.00 -0.57 0.00 0.00 43.02 40.21 2whs s PHE 95 CO 0.00 -0.67 1.78 1.05 -0.10 0.00 0.00 175.22 177.28 2whs h GLU 96 N -0.24 0.00 -0.95 0.44 4.11 -1.59 -2.00 114.58 114.35 2whs h GLU 96 Ca -0.45 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.96 2whs h GLU 96 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2whs h GLU 96 CO 0.62 0.41 0.03 -0.40 0.07 0.00 0.00 179.01 179.74 2whs n ASP 97 N -3.91 2.10 0.00 3.06 5.68 -1.26 -4.89 116.55 117.33 2whs n ASP 97 Ca -0.01 -2.17 0.00 0.00 -0.50 0.00 0.00 54.79 52.10 2whs n ASP 97 Cb 0.46 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 2whs n ASP 97 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2whs n GLY 98 N 0.14 2.91 3.73 6.12 0.00 -0.75 -4.84 105.19 112.49 2whs n GLY 98 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 2whs n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2whs n ALA 99 N -0.07 1.17 -3.38 4.61 0.00 -1.24 -4.83 120.51 116.76 2whs n ALA 99 Ca 0.00 0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 2whs n ALA 99 Cb 0.00 -2.32 -0.15 0.00 0.00 0.00 0.00 19.45 16.98 2whs n ALA 99 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2whs s VAL 100 N -1.38 -0.01 -0.06 0.00 1.01 -0.91 -1.49 120.40 117.56 2whs s VAL 100 Ca 0.81 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.96 2whs s VAL 100 Cb -0.39 -0.07 -0.00 0.00 0.00 0.00 0.00 36.38 35.92 2whs s VAL 100 CO 0.42 0.06 -0.22 0.00 0.00 0.00 0.00 175.10 175.35 2whs s THR 102 N 0.05 2.20 0.03 0.00 -4.23 0.07 -0.31 115.64 113.45 2whs s THR 102 Ca -0.08 -1.03 0.04 0.00 -1.18 0.00 0.00 61.69 59.44 2whs s THR 102 Cb -0.14 -1.80 -0.02 0.00 1.34 0.00 0.00 72.50 71.88 2whs s THR 102 CO 0.05 0.57 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.90 2whs s VAL 103 N -0.35 0.88 0.01 2.29 1.01 0.13 -0.89 120.40 123.48 2whs s VAL 103 Ca 0.02 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 2whs s VAL 103 Cb -0.12 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 2whs s VAL 103 CO 0.02 -0.06 0.07 -0.94 0.00 0.00 0.00 175.10 174.19 2whs s SER 104 N -1.08 0.10 0.02 3.32 1.04 -0.51 -0.11 113.70 116.47 2whs s SER 104 Ca -0.01 -0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.15 2whs s SER 104 Cb -0.07 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.20 2whs s SER 104 CO 0.01 -0.32 -0.05 0.21 0.98 0.00 0.00 173.24 174.07 2whs s ASN 105 N -1.29 0.55 -0.12 7.02 2.47 0.75 -0.66 114.94 123.64 2whs s ASN 105 Ca -0.14 -0.37 0.01 0.00 0.42 0.00 0.00 52.86 52.78 2whs s ASN 105 Cb -0.08 0.02 0.02 0.00 -1.45 0.00 0.00 41.25 39.76 2whs s ASN 105 CO 0.00 -0.14 -0.14 -0.62 -3.72 0.00 0.00 177.10 172.49 2whs s ASP 106 N -1.03 2.49 -0.10 -4.21 -1.08 0.16 -1.87 116.67 111.02 2whs s ASP 106 Ca -0.07 -0.43 0.02 0.00 -0.52 0.00 0.00 52.55 51.54 2whs s ASP 106 Cb -0.07 -1.09 -0.01 0.00 -1.46 0.00 0.00 42.92 40.29 2whs s ASP 106 CO -0.00 -0.03 -0.16 -0.44 0.52 0.00 0.00 175.17 175.06 2whs s SER 107 N 1.25 3.77 0.13 -0.34 0.01 0.32 -0.83 113.70 118.01 2whs s SER 107 Ca -0.01 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 56.91 2whs s SER 107 Cb -0.14 -1.36 -0.01 0.00 0.21 0.00 0.00 66.02 64.72 2whs s SER 107 CO -0.06 0.21 0.09 -1.54 0.41 0.00 0.00 173.24 172.35 2whs n SER 108 N 3.24 0.13 -3.86 2.44 3.41 0.08 -2.44 113.62 116.62 2whs n SER 108 Ca -0.18 -1.82 -0.12 0.00 -0.26 0.00 0.00 58.87 56.49 2whs n SER 108 Cb 0.53 0.56 -0.14 0.00 -0.26 0.00 0.00 64.21 64.89 2whs n SER 108 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2whs s ILE 109 N -2.39 -0.00 -0.38 -1.33 2.07 -1.26 0.25 121.20 118.16 2whs s ILE 109 Ca 0.13 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.39 2whs s ILE 109 Cb 0.01 -0.03 0.11 0.00 0.13 0.00 0.00 42.46 42.68 2whs s ILE 109 CO 0.09 0.00 0.14 -1.58 -1.91 0.00 0.00 174.94 171.68 2whs s GLN 110 N 0.02 1.22 7.98 3.50 2.00 0.11 -4.91 119.66 129.58 2whs s GLN 110 Ca -0.00 -1.72 0.00 0.00 -2.00 0.00 0.00 55.36 51.64 2whs s GLN 110 Cb -0.00 -2.58 0.00 0.00 0.80 0.00 0.00 33.01 31.23 2whs s GLN 110 CO -0.00 -1.03 0.00 0.41 -0.50 0.00 0.00 175.29 174.17 2whs n GLY 111 N 4.14 4.17 2.07 2.59 0.00 -1.26 -1.66 105.19 115.24 2whs n GLY 111 Ca 0.03 0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 2whs n GLY 111 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2whs n ASN 112 N 9.03 4.64 -3.78 1.61 5.03 -1.26 -4.84 115.26 125.68 2whs n ASN 112 Ca 0.00 -3.70 -0.25 0.00 0.87 0.00 0.00 54.58 51.50 2whs n ASN 112 Cb 0.00 -0.82 -0.17 0.00 -1.02 0.00 0.00 39.78 37.77 2whs n ASN 112 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2whs s PHE 114 N 1.90 2.93 -0.15 0.00 0.08 -0.55 0.03 117.98 122.23 2whs s PHE 114 Ca 0.03 1.57 0.01 0.00 0.12 0.00 0.00 56.93 58.66 2whs s PHE 114 Cb -0.14 -3.24 0.02 0.00 -0.57 0.00 0.00 43.02 39.10 2whs s PHE 114 CO -0.06 -1.19 -0.16 0.42 -0.10 0.00 0.00 175.22 174.12 2whs s ILE 115 N -1.72 1.71 -0.11 0.64 1.01 0.14 -0.92 121.20 121.96 2whs s ILE 115 Ca 0.65 -0.73 -0.00 0.00 0.00 0.00 0.00 60.65 60.57 2whs s ILE 115 Cb -0.23 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 2whs s ILE 115 CO 0.28 0.48 -0.09 -0.31 0.00 0.00 0.00 174.94 175.30 2whs s TYR 116 N 1.36 2.89 -0.22 3.97 2.02 0.48 -0.74 117.35 127.10 2whs s TYR 116 Ca 0.03 -0.28 0.02 0.00 -0.37 0.00 0.00 57.07 56.47 2whs s TYR 116 Cb -0.13 -1.80 0.05 0.00 -0.40 0.00 0.00 41.96 39.68 2whs s TYR 116 CO -0.10 0.06 -0.12 1.21 -1.57 0.00 0.00 175.55 175.02 2whs s ASN 117 N -0.16 3.82 -0.09 2.29 3.84 -0.01 0.44 114.94 125.08 2whs s ASN 117 Ca 0.01 -1.08 0.03 0.00 0.21 0.00 0.00 52.86 52.03 2whs s ASN 117 Cb -0.13 -1.41 -0.02 0.00 -0.55 0.00 0.00 41.25 39.14 2whs s ASN 117 CO 0.03 -0.14 -0.18 -0.69 -2.79 0.00 0.00 177.10 173.33 2whs s VAL 118 N 1.25 2.68 -0.04 -5.21 1.01 0.15 -0.67 120.40 119.57 2whs s VAL 118 Ca -0.04 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.18 2whs s VAL 118 Cb -0.17 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 2whs s VAL 118 CO -0.08 0.56 -0.23 -0.54 0.00 0.00 0.00 175.10 174.81 2whs s LYS 119 N -0.08 2.21 -0.04 2.72 1.02 0.16 -1.79 119.74 123.94 2whs s LYS 119 Ca -0.04 -0.83 0.02 0.00 0.02 0.00 0.00 55.97 55.14 2whs s LYS 119 Cb -0.14 -1.95 0.01 0.00 -0.52 0.00 0.00 37.83 35.24 2whs s LYS 119 CO 0.04 0.39 -0.08 -1.50 -0.92 0.00 0.00 175.35 173.28 2whs s ILE 120 N -0.23 0.78 -0.20 2.17 2.07 -0.92 -1.42 121.20 123.45 2whs s ILE 120 Ca -0.00 -0.30 0.01 0.00 -1.41 0.00 0.00 60.65 58.95 2whs s ILE 120 Cb -0.12 -0.73 0.04 0.00 0.13 0.00 0.00 42.46 41.78 2whs s ILE 120 CO 0.02 0.26 -0.12 -0.44 -1.91 0.00 0.00 174.94 172.76 2whs s SER 121 N 0.58 3.45 -0.18 4.50 0.01 -0.07 -1.65 113.70 120.34 2whs s SER 121 Ca -0.09 -0.90 -0.03 0.00 1.31 0.00 0.00 55.95 56.23 2whs s SER 121 Cb -0.13 -1.29 -0.02 0.00 0.21 0.00 0.00 66.02 64.79 2whs s SER 121 CO 0.01 -0.13 -0.06 -0.83 0.41 0.00 0.00 173.24 172.65 2whs s GLY 122 N 1.36 1.63 0.12 3.44 0.00 -0.00 -0.75 107.32 113.11 2whs s GLY 122 Ca -0.01 -1.00 0.06 0.00 0.00 0.00 0.00 44.72 43.77 2whs s GLY 122 CO -0.08 0.14 -0.14 -1.83 0.00 0.00 0.00 173.10 171.19 2whs s GLU 123 N 0.90 1.02 -1.10 2.90 -1.05 -0.54 0.38 118.70 121.20 2whs s GLU 123 Ca -0.01 -1.23 0.00 0.00 -0.15 0.00 0.00 54.97 53.58 2whs s GLU 123 Cb -0.15 -0.90 0.00 0.00 -0.44 0.00 0.00 34.13 32.64 2whs s GLU 123 CO 0.01 0.17 0.00 0.09 0.95 0.00 0.00 175.26 176.48 2whs n ASN 124 N 0.55 -4.01 -4.69 0.83 5.03 -1.26 -2.13 115.26 109.58 2whs n ASN 124 Ca -0.16 0.03 -0.42 0.00 0.87 0.00 0.00 54.58 54.91 2whs n ASN 124 Cb 0.57 -3.13 -0.03 0.00 -1.02 0.00 0.00 39.78 36.17 2whs n ASN 124 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2whs s PHE 125 N -2.60 2.99 0.14 3.10 0.08 -1.26 -3.64 117.98 116.80 2whs s PHE 125 Ca 0.00 0.98 -0.34 0.00 0.12 0.00 0.00 56.93 57.69 2whs s PHE 125 Cb 0.00 -3.56 -0.14 0.00 -0.57 0.00 0.00 43.02 38.75 2whs s PHE 125 CO 0.00 -1.98 1.59 -2.30 -0.10 0.00 0.00 175.22 172.44 2whs n PRO 126 N 5.31 2.13 -0.10 0.24 -0.02 -1.26 -4.85 135.00 136.45 2whs n PRO 126 Ca 0.12 0.77 0.22 0.00 -2.02 0.00 0.00 63.50 62.59 2whs n PRO 126 Cb 0.45 -2.54 0.66 0.00 -0.02 0.00 0.00 33.50 32.04 2whs n PRO 126 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2whs h PRO 127 N 6.11 0.10 -0.42 0.52 0.11 -1.99 0.22 132.00 136.65 2whs h PRO 127 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2whs h PRO 127 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2whs h PRO 127 CO 0.89 0.07 0.00 0.09 -0.21 0.00 0.00 178.00 178.83 2whs n ASN 128 N -4.37 3.34 -4.18 -2.05 3.02 -1.26 -4.42 115.26 105.34 2whs n ASN 128 Ca 0.14 -1.94 -0.29 0.00 -0.03 0.00 0.00 54.58 52.45 2whs n ASN 128 Cb 0.72 -0.28 0.22 0.00 -0.61 0.00 0.00 39.78 39.83 2whs n ASN 128 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2whs s GLY 129 N -1.24 1.57 0.45 7.41 0.00 0.07 -4.76 107.32 110.82 2whs s GLY 129 Ca 0.36 -0.71 0.25 0.00 0.00 0.00 0.00 44.72 44.62 2whs s GLY 129 CO 0.27 0.07 1.83 -0.56 0.00 0.00 0.00 173.10 174.71 2whs h PRO 130 N -2.33 0.00 0.10 2.90 0.13 -1.94 -0.63 132.00 130.22 2whs h PRO 130 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2whs h PRO 130 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2whs h PRO 130 CO 0.44 0.19 -0.05 0.28 -0.23 0.00 0.00 178.00 178.63 2whs h VAL 131 N 0.00 1.13 0.00 1.56 2.07 -1.93 0.77 116.25 119.85 2whs h VAL 131 Ca -0.00 -1.18 -0.08 0.00 0.82 0.00 0.00 66.70 66.26 2whs h VAL 131 Cb 0.74 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 2whs h VAL 131 CO 0.02 0.27 -0.36 0.24 0.02 0.00 0.00 177.57 177.77 2whs h MET 132 N -0.71 0.00 -0.01 1.57 2.86 -1.77 0.17 114.93 117.04 2whs h MET 132 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2whs h MET 132 Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 2whs h MET 132 CO 0.02 0.36 -0.17 1.04 1.06 0.00 0.00 176.91 179.22 2whs n GLN 133 N -3.67 1.35 -3.42 1.72 1.13 -0.25 -4.61 117.38 109.63 2whs n GLN 133 Ca -0.01 -0.90 -0.19 0.00 -1.94 0.00 0.00 57.00 53.96 2whs n GLN 133 Cb 0.46 -1.48 0.08 0.00 0.11 0.00 0.00 30.24 29.41 2whs n GLN 133 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2whs n LYS 134 N -0.04 -6.78 -0.27 -1.09 5.02 -0.11 -4.91 118.16 109.98 2whs n LYS 134 Ca 0.14 0.78 0.12 0.00 -2.02 0.00 0.00 58.31 57.32 2whs n LYS 134 Cb 0.40 -5.62 0.27 0.00 -0.02 0.00 0.00 35.03 30.06 2whs n LYS 134 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2whs n LYS 135 N -4.30 2.54 -3.10 1.97 4.76 0.07 -4.99 118.16 115.13 2whs n LYS 135 Ca -0.13 -2.37 -0.30 0.00 -2.87 0.00 0.00 58.31 52.65 2whs n LYS 135 Cb 0.60 -1.53 -0.04 0.00 -1.84 0.00 0.00 35.03 32.23 2whs n LYS 135 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2whs s THR 136 N -1.28 4.87 -0.27 -0.18 -4.23 -1.25 -0.66 115.64 112.64 2whs s THR 136 Ca 0.43 0.44 0.22 0.00 -1.18 0.00 0.00 61.69 61.59 2whs s THR 136 Cb 0.23 -3.71 0.50 0.00 1.34 0.00 0.00 72.50 70.87 2whs s THR 136 CO 0.32 -0.38 1.10 0.00 -0.54 0.00 0.00 174.62 175.12 2whs n GLN 137 N -0.99 1.81 0.00 3.99 6.02 0.36 -4.84 117.38 123.73 2whs n GLN 137 Ca 0.01 -3.54 0.00 0.00 -0.01 0.00 0.00 57.00 53.46 2whs n GLN 137 Cb 0.54 -1.63 0.00 0.00 1.02 0.00 0.00 30.24 30.17 2whs n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2whs n GLY 138 N -0.57 2.20 3.87 1.08 0.00 -1.26 -4.60 105.19 105.91 2whs n GLY 138 Ca 0.10 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 2whs n GLY 138 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2whs s TRP 139 N -2.85 3.46 0.55 1.61 0.52 -1.26 0.13 118.94 121.10 2whs s TRP 139 Ca 0.00 0.84 -0.15 0.00 0.02 0.00 0.00 56.10 56.81 2whs s TRP 139 Cb 0.00 -2.23 -0.06 0.00 -1.15 0.00 0.00 33.47 30.03 2whs s TRP 139 CO 0.00 0.32 1.01 -1.21 0.02 0.00 0.00 176.95 177.09 2whs s GLU 140 N -2.67 3.72 0.66 4.98 0.41 -0.16 -4.80 118.70 120.85 2whs s GLU 140 Ca 0.45 0.99 -0.17 0.00 -0.41 0.00 0.00 54.97 55.83 2whs s GLU 140 Cb -0.12 -2.10 -0.03 0.00 -1.78 0.00 0.00 34.13 30.10 2whs s GLU 140 CO 0.21 -0.47 0.85 -2.30 -0.49 0.00 0.00 175.26 173.07 2whs n PRO 141 N -1.88 0.62 -4.03 0.39 -0.02 -1.26 -4.74 135.00 124.07 2whs n PRO 141 Ca 0.07 0.26 -0.10 0.00 -2.02 0.00 0.00 63.50 61.71 2whs n PRO 141 Cb 0.54 -2.09 -0.07 0.00 -0.02 0.00 0.00 33.50 31.86 2whs n PRO 141 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2whs s SER 142 N -1.42 -0.02 -0.18 2.55 1.04 -0.55 -4.94 113.70 110.18 2whs s SER 142 Ca 0.73 -1.01 -0.00 0.00 0.48 0.00 0.00 55.95 56.15 2whs s SER 142 Cb -0.38 0.52 0.05 0.00 0.10 0.00 0.00 66.02 66.30 2whs s SER 142 CO 0.50 -1.03 -0.05 -0.89 0.98 0.00 0.00 173.24 172.75 2whs s THR 143 N -4.04 1.20 0.03 2.02 2.01 -1.26 -0.80 115.64 114.81 2whs s THR 143 Ca 0.25 -0.77 -0.17 0.00 0.31 0.00 0.00 61.69 61.31 2whs s THR 143 Cb 0.02 -1.41 -0.06 0.00 0.01 0.00 0.00 72.50 71.06 2whs s THR 143 CO 0.08 0.07 0.49 -0.70 -0.69 0.00 0.00 174.62 173.87 2whs s GLU 144 N 1.58 4.08 -0.14 4.92 2.12 0.24 -4.66 118.70 126.83 2whs s GLU 144 Ca -0.01 0.58 -0.03 0.00 0.36 0.00 0.00 54.97 55.88 2whs s GLU 144 Cb -0.16 -3.24 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 2whs s GLU 144 CO -0.08 0.64 -0.06 1.03 -0.54 0.00 0.00 175.26 176.26 2whs s ARG 145 N -1.03 3.55 0.05 4.30 0.52 -0.56 -0.75 118.95 125.04 2whs s ARG 145 Ca 0.27 -0.55 0.07 0.00 -0.52 0.00 0.00 55.73 55.00 2whs s ARG 145 Cb -0.18 -2.84 -0.03 0.00 0.52 0.00 0.00 34.95 32.43 2whs s ARG 145 CO 0.16 0.27 -0.20 -0.51 0.02 0.00 0.00 175.30 175.04 2whs s LEU 146 N 0.26 2.19 0.07 2.53 1.02 -0.48 -1.28 118.68 122.99 2whs s LEU 146 Ca -0.04 -0.55 -0.01 0.00 0.02 0.00 0.00 54.13 53.55 2whs s LEU 146 Cb -0.14 -0.94 -0.04 0.00 0.02 0.00 0.00 46.19 45.09 2whs s LEU 146 CO 0.03 0.14 0.00 0.72 0.02 0.00 0.00 176.35 177.26 2whs s PHE 147 N -0.87 0.60 0.02 0.29 -0.12 -0.83 -1.92 117.98 115.15 2whs s PHE 147 Ca 0.07 -1.10 -0.24 0.00 -0.05 0.00 0.00 56.93 55.61 2whs s PHE 147 Cb -0.09 -0.40 -0.05 0.00 -0.63 0.00 0.00 43.02 41.85 2whs s PHE 147 CO 0.02 -0.43 0.75 0.00 -0.05 0.00 0.00 175.22 175.51 2whs s ALA 148 N -3.95 3.37 -0.09 1.99 0.00 -1.26 -0.96 121.76 120.85 2whs s ALA 148 Ca 0.12 0.24 -0.03 0.00 0.00 0.00 0.00 51.96 52.29 2whs s ALA 148 Cb 0.08 -2.98 0.05 0.00 0.00 0.00 0.00 23.12 20.27 2whs s ALA 148 CO -0.07 0.03 0.14 0.50 0.00 0.00 0.00 175.76 176.37 2whs s ARG 149 N 0.12 0.03 -1.49 0.00 3.52 0.10 -4.94 118.95 116.29 2whs s ARG 149 Ca 0.38 0.45 -0.11 0.00 -0.13 0.00 0.00 55.73 56.33 2whs s ARG 149 Cb -0.20 -0.51 0.07 0.00 -1.56 0.00 0.00 34.95 32.75 2whs s ARG 149 CO 0.22 -0.37 0.89 -0.25 -0.81 0.00 0.00 175.30 174.98 2whs n ASP 150 N 5.32 -3.75 0.00 -2.12 8.00 -1.26 -0.69 116.55 122.05 2whs n ASP 150 Ca -0.05 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.64 2whs n ASP 150 Cb 0.50 -3.81 0.00 0.00 -0.02 0.00 0.00 41.12 37.78 2whs n ASP 150 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2whs n GLY 151 N -1.67 0.96 3.67 0.44 0.00 -1.26 -5.02 105.19 102.30 2whs n GLY 151 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 2whs n GLY 151 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2whs s MET 152 N -0.00 2.22 -0.14 1.61 -1.94 0.13 -4.67 119.30 116.51 2whs s MET 152 Ca 0.00 -1.61 -0.03 0.00 -1.71 0.00 0.00 55.69 52.34 2whs s MET 152 Cb 0.00 -2.06 -0.03 0.00 2.01 0.00 0.00 34.83 34.75 2whs s MET 152 CO 0.00 0.17 -0.03 -0.51 -0.01 0.00 0.00 175.02 174.64 2whs s LEU 153 N -3.75 3.31 -0.18 -0.03 1.02 -0.74 0.01 118.68 118.32 2whs s LEU 153 Ca 0.35 -0.07 -0.02 0.00 0.02 0.00 0.00 54.13 54.40 2whs s LEU 153 Cb -0.02 -1.79 -0.01 0.00 0.02 0.00 0.00 46.19 44.39 2whs s LEU 153 CO 0.21 0.21 -0.08 -0.63 0.02 0.00 0.00 176.35 176.08 2whs s ILE 154 N 0.09 3.22 0.10 -0.59 -1.09 -0.13 -0.48 121.20 122.32 2whs s ILE 154 Ca -0.00 -0.57 0.07 0.00 -2.23 0.00 0.00 60.65 57.92 2whs s ILE 154 Cb -0.13 -2.42 -0.04 0.00 -1.58 0.00 0.00 42.46 38.29 2whs s ILE 154 CO 0.03 0.47 -0.09 -0.83 -1.23 0.00 0.00 174.94 173.28 2whs s GLY 155 N 1.02 1.80 -0.05 6.18 0.00 0.47 -1.96 107.32 114.79 2whs s GLY 155 Ca -0.00 -1.22 -0.02 0.00 0.00 0.00 0.00 44.72 43.48 2whs s GLY 155 CO -0.01 -1.20 0.10 -1.31 0.00 0.00 0.00 173.10 170.68 2whs s ASN 156 N -2.19 0.04 -0.10 1.64 0.01 -0.41 -1.64 114.94 112.30 2whs s ASN 156 Ca 0.22 0.19 -0.07 0.00 -0.71 0.00 0.00 52.86 52.49 2whs s ASN 156 Cb -0.11 0.08 0.04 0.00 0.41 0.00 0.00 41.25 41.66 2whs s ASN 156 CO 0.14 -0.15 0.25 -0.62 -1.51 0.00 0.00 177.10 175.21 2whs s ASP 157 N 1.22 -0.27 -0.36 -1.22 -1.08 -0.82 -1.49 116.67 112.65 2whs s ASP 157 Ca -0.08 0.53 -0.08 0.00 -0.52 0.00 0.00 52.55 52.40 2whs s ASP 157 Cb -0.12 0.46 0.04 0.00 -1.46 0.00 0.00 42.92 41.84 2whs s ASP 157 CO -0.05 -0.13 0.15 -0.31 0.52 0.00 0.00 175.17 175.35 2whs s TYR 158 N 0.79 3.26 0.33 -5.34 2.02 -1.26 -0.01 117.35 117.14 2whs s TYR 158 Ca -0.05 -1.31 0.07 0.00 -0.37 0.00 0.00 57.07 55.41 2whs s TYR 158 Cb -0.07 -2.38 -0.03 0.00 -0.40 0.00 0.00 41.96 39.08 2whs s TYR 158 CO -0.05 -0.72 0.27 -1.64 -1.57 0.00 0.00 175.55 171.84 2whs s MET 159 N 1.44 2.71 -0.17 -0.62 -1.94 0.46 -4.88 119.30 116.30 2whs s MET 159 Ca -0.00 -1.30 -0.07 0.00 -1.71 0.00 0.00 55.69 52.61 2whs s MET 159 Cb -0.20 -2.46 0.07 0.00 2.01 0.00 0.00 34.83 34.26 2whs s MET 159 CO 0.04 0.12 0.38 0.00 -0.01 0.00 0.00 175.02 175.55 2whs s ALA 160 N -2.30 -1.00 -0.13 3.03 0.00 -1.26 -1.64 121.76 118.46 2whs s ALA 160 Ca 0.40 1.40 -0.19 0.00 0.00 0.00 0.00 51.96 53.57 2whs s ALA 160 Cb -0.06 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 2whs s ALA 160 CO 0.26 -0.55 0.52 -0.51 0.00 0.00 0.00 175.76 175.48 2whs s LEU 161 N 2.12 4.25 0.37 0.00 1.43 -0.41 -0.98 118.68 125.46 2whs s LEU 161 Ca -0.04 0.85 -0.28 0.00 -1.03 0.00 0.00 54.13 53.63 2whs s LEU 161 Cb -0.11 -2.76 -0.10 0.00 0.03 0.00 0.00 46.19 43.25 2whs s LEU 161 CO -0.12 -0.06 1.36 -0.54 0.23 0.00 0.00 176.35 177.22 2whs s LYS 162 N 0.88 4.15 -0.00 1.70 1.02 0.12 -1.37 119.74 126.23 2whs s LYS 162 Ca 0.27 2.30 0.02 0.00 0.02 0.00 0.00 55.97 58.59 2whs s LYS 162 Cb -0.16 -2.94 -0.03 0.00 -0.52 0.00 0.00 37.83 34.18 2whs s LYS 162 CO 0.11 -0.39 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.61 2whs s LEU 163 N -2.09 3.32 0.00 3.17 1.43 -0.04 -0.49 118.68 123.98 2whs s LEU 163 Ca 0.53 -0.08 -0.36 0.00 -1.03 0.00 0.00 54.13 53.19 2whs s LEU 163 Cb -0.41 -1.89 -0.14 0.00 0.03 0.00 0.00 46.19 43.78 2whs s LEU 163 CO 0.55 0.29 1.63 1.21 0.23 0.00 0.00 176.35 180.25 2whs n GLU 164 N 1.53 1.73 -0.70 1.70 2.13 0.16 -1.25 120.64 125.95 2whs n GLU 164 Ca -0.15 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.30 2whs n GLU 164 Cb 0.53 -2.37 0.00 0.00 0.27 0.00 0.00 31.44 29.86 2whs n GLU 164 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2whs n GLY 165 N 3.58 0.59 0.48 8.31 0.00 -1.26 -4.93 105.19 111.96 2whs n GLY 165 Ca 0.20 -0.53 0.06 0.00 0.00 0.00 0.00 46.02 45.75 2whs n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2whs n GLY 166 N -2.70 -2.67 0.00 -0.02 0.00 -0.38 -5.10 105.19 94.32 2whs n GLY 166 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2whs n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2whs n GLY 167 N -2.87 0.22 3.21 -0.02 0.00 -1.26 -4.64 105.19 99.82 2whs n GLY 167 Ca -0.03 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.00 2whs n GLY 167 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2whs s HIS 168 N -1.81 1.13 -0.23 1.61 0.09 -1.26 -0.86 115.29 113.96 2whs s HIS 168 Ca 0.00 -0.76 0.02 0.00 -0.00 0.00 0.00 55.06 54.32 2whs s HIS 168 Cb 0.00 -0.60 0.04 0.00 -0.00 0.00 0.00 32.58 32.03 2whs s HIS 168 CO 0.00 0.01 -0.14 -0.47 -0.00 0.00 0.00 174.74 174.14 2whs s TYR 169 N -3.11 3.04 0.17 1.40 5.04 -0.47 -4.92 117.35 118.50 2whs s TYR 169 Ca 0.12 -2.04 -0.04 0.00 -2.44 0.00 0.00 57.07 52.68 2whs s TYR 169 Cb 0.01 -1.91 -0.05 0.00 0.35 0.00 0.00 41.96 40.36 2whs s TYR 169 CO -0.01 -0.85 0.40 -0.51 -1.34 0.00 0.00 175.55 173.24 2whs s LEU 170 N 1.19 4.23 -0.15 6.97 1.43 -1.26 -1.29 118.68 129.80 2whs s LEU 170 Ca -0.03 0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 53.50 2whs s LEU 170 Cb -0.17 -3.29 0.05 0.00 0.03 0.00 0.00 46.19 42.80 2whs s LEU 170 CO -0.08 0.00 0.38 0.00 0.23 0.00 0.00 176.35 176.88 2whs s GLU 172 N 0.77 4.07 -0.15 0.00 2.12 -0.25 -0.40 118.70 124.86 2whs s GLU 172 Ca -0.05 -0.03 -0.14 0.00 0.36 0.00 0.00 54.97 55.12 2whs s GLU 172 Cb -0.06 -3.59 -0.05 0.00 0.26 0.00 0.00 34.13 30.69 2whs s GLU 172 CO -0.06 -0.11 0.29 -0.06 -0.54 0.00 0.00 175.26 174.79 2whs s PHE 173 N 1.56 3.49 -0.11 5.30 0.40 0.99 -1.03 117.98 128.57 2whs s PHE 173 Ca 0.13 0.63 0.00 0.00 -0.60 0.00 0.00 56.93 57.09 2whs s PHE 173 Cb -0.15 -2.32 0.02 0.00 0.51 0.00 0.00 43.02 41.09 2whs s PHE 173 CO 0.08 0.30 -0.09 0.21 0.70 0.00 0.00 175.22 176.42 2whs s LYS 174 N 0.26 1.58 0.03 0.44 2.47 -0.19 -1.95 119.74 122.39 2whs s LYS 174 Ca 0.17 -0.29 0.06 0.00 -1.56 0.00 0.00 55.97 54.35 2whs s LYS 174 Cb -0.13 -1.58 -0.02 0.00 -1.46 0.00 0.00 37.83 34.64 2whs s LYS 174 CO 0.05 -0.22 -0.18 -1.12 0.16 0.00 0.00 175.35 174.04 2whs s SER 175 N 1.54 2.09 -0.14 1.43 0.01 -0.65 -0.43 113.70 117.55 2whs s SER 175 Ca 0.02 -0.46 -0.01 0.00 1.31 0.00 0.00 55.95 56.81 2whs s SER 175 Cb -0.13 -0.17 0.04 0.00 0.21 0.00 0.00 66.02 65.96 2whs s SER 175 CO -0.06 0.12 -0.05 -0.89 0.41 0.00 0.00 173.24 172.77 2whs s THR 176 N -0.74 0.93 -0.17 1.44 2.01 -0.56 -0.39 115.64 118.15 2whs s THR 176 Ca 0.05 -0.40 -0.08 0.00 0.31 0.00 0.00 61.69 61.57 2whs s THR 176 Cb -0.08 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 2whs s THR 176 CO 0.01 0.20 0.10 -0.31 -0.69 0.00 0.00 174.62 173.94 2whs s TYR 177 N 1.73 3.37 -0.23 4.92 2.02 0.37 -2.09 117.35 127.42 2whs s TYR 177 Ca 0.03 0.26 -0.03 0.00 -0.37 0.00 0.00 57.07 56.96 2whs s TYR 177 Cb -0.14 -2.07 0.08 0.00 -0.40 0.00 0.00 41.96 39.42 2whs s TYR 177 CO -0.08 0.32 0.07 0.21 -1.57 0.00 0.00 175.55 174.51 2whs s LYS 178 N 0.07 0.53 0.42 -0.62 2.20 0.23 -1.79 119.74 120.78 2whs s LYS 178 Ca 0.08 -0.56 -0.24 0.00 -0.36 0.00 0.00 55.97 54.88 2whs s LYS 178 Cb -0.12 -1.90 -0.08 0.00 -1.51 0.00 0.00 37.83 34.22 2whs s LYS 178 CO -0.00 -0.79 1.17 0.00 -0.36 0.00 0.00 175.35 175.37 2whs s ALA 179 N 1.87 3.10 -2.00 3.13 0.00 -1.26 -0.09 121.76 126.51 2whs s ALA 179 Ca 0.03 0.96 0.19 0.00 0.00 0.00 0.00 51.96 53.14 2whs s ALA 179 Cb -0.17 -3.38 1.11 0.00 0.00 0.00 0.00 23.12 20.68 2whs s ALA 179 CO -0.17 -0.58 1.54 1.63 0.00 0.00 0.00 175.76 178.18 2whs n LYS 180 N -0.12 0.70 -3.66 0.00 5.02 0.03 -4.79 118.16 115.35 2whs n LYS 180 Ca 0.05 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.24 2whs n LYS 180 Cb 0.47 -1.41 -0.05 0.00 -0.02 0.00 0.00 35.03 34.01 2whs n LYS 180 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2whs s LYS 181 N -2.00 1.02 0.47 1.97 -2.85 -1.26 -5.00 119.74 112.09 2whs s LYS 181 Ca 0.28 -0.69 -0.24 0.00 -1.00 0.00 0.00 55.97 54.32 2whs s LYS 181 Cb 0.13 0.45 -0.07 0.00 -2.06 0.00 0.00 37.83 36.27 2whs s LYS 181 CO 0.21 -0.39 1.33 -2.14 0.10 0.00 0.00 175.35 174.46 2whs s PRO 182 N -3.63 3.61 0.13 1.78 0.02 -1.26 -4.97 135.00 130.69 2whs s PRO 182 Ca 0.02 2.18 -0.02 0.00 0.02 0.00 0.00 61.00 63.20 2whs s PRO 182 Cb 0.02 -2.52 -0.04 0.00 0.02 0.00 0.00 34.50 31.98 2whs s PRO 182 CO -0.11 -0.79 0.08 0.14 -0.33 0.00 0.00 177.00 175.99 2whs s VAL 183 N -1.31 0.10 -0.04 3.83 -7.23 -1.26 -5.03 120.40 109.47 2whs s VAL 183 Ca 0.63 -1.85 -0.30 0.00 -1.81 0.00 0.00 61.98 58.66 2whs s VAL 183 Cb -0.39 -2.00 -0.06 0.00 0.56 0.00 0.00 36.38 34.49 2whs s VAL 183 CO 0.48 -0.47 1.74 -0.13 -0.31 0.00 0.00 175.10 176.41 2whs s ARG 184 N -4.03 4.13 -0.05 4.82 0.52 -1.26 -4.99 118.95 118.09 2whs s ARG 184 Ca 0.23 2.27 -0.26 0.00 -0.52 0.00 0.00 55.73 57.44 2whs s ARG 184 Cb 0.07 -4.04 -0.03 0.00 0.52 0.00 0.00 34.95 31.47 2whs s ARG 184 CO 0.01 -0.92 0.83 -1.64 0.02 0.00 0.00 175.30 173.60 2whs s MET 185 N 4.22 4.48 0.79 3.54 -1.94 -1.26 -4.61 119.30 124.52 2whs s MET 185 Ca 0.78 1.13 -0.12 0.00 -1.71 0.00 0.00 55.69 55.77 2whs s MET 185 Cb -0.35 -3.46 0.06 0.00 2.01 0.00 0.00 34.83 33.09 2whs s MET 185 CO 0.33 -0.02 1.11 -1.25 -0.01 0.00 0.00 175.02 175.18 2whs s PRO 186 N 1.00 2.16 0.57 2.03 0.04 -1.26 -4.84 135.00 134.70 2whs s PRO 186 Ca 0.44 0.46 -0.09 0.00 0.04 0.00 0.00 61.00 61.85 2whs s PRO 186 Cb -0.19 -1.94 0.13 0.00 0.04 0.00 0.00 34.50 32.54 2whs s PRO 186 CO 0.22 -1.53 0.77 0.41 0.04 0.00 0.00 177.00 176.91 2whs n GLY 187 N -2.55 -1.21 3.59 0.56 0.00 -1.26 -4.55 105.19 99.76 2whs n GLY 187 Ca 0.07 -1.71 -0.47 0.00 0.00 0.00 0.00 46.02 43.90 2whs n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2whs n ARG 188 N -2.62 1.29 -1.30 1.61 1.74 -1.26 -4.75 116.66 111.36 2whs n ARG 188 Ca 0.10 0.46 -0.01 0.00 -0.77 0.00 0.00 57.85 57.63 2whs n ARG 188 Cb 0.34 -1.94 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 2whs n ARG 188 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 2whs n HIS 189 N 1.26 -1.01 -3.74 -1.55 1.44 -0.81 -4.39 115.22 106.41 2whs n HIS 189 Ca 0.13 -0.14 -0.10 0.00 -2.01 0.00 0.00 57.72 55.61 2whs n HIS 189 Cb 0.27 0.07 -0.06 0.00 0.12 0.00 0.00 29.99 30.39 2whs n HIS 189 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 2whs s GLU 190 N -2.01 0.96 -0.11 -1.40 -1.05 -0.73 -1.38 118.70 112.98 2whs s GLU 190 Ca 0.01 -0.83 0.00 0.00 -0.15 0.00 0.00 54.97 54.00 2whs s GLU 190 Cb -0.00 0.41 0.02 0.00 -0.44 0.00 0.00 34.13 34.11 2whs s GLU 190 CO 0.01 -0.34 -0.10 0.42 0.95 0.00 0.00 175.26 176.19 2whs s ILE 191 N -3.83 1.18 -0.17 1.83 1.01 0.07 -1.62 121.20 119.67 2whs s ILE 191 Ca 0.04 -0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 2whs s ILE 191 Cb 0.03 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.31 2whs s ILE 191 CO -0.11 0.39 0.24 -0.62 0.00 0.00 0.00 174.94 174.83 2whs s ASP 192 N 1.42 6.36 0.01 3.58 2.15 0.22 -0.59 116.67 129.81 2whs s ASP 192 Ca 0.01 0.42 -0.02 0.00 0.43 0.00 0.00 52.55 53.38 2whs s ASP 192 Cb -0.13 -2.15 -0.01 0.00 -0.30 0.00 0.00 42.92 40.33 2whs s ASP 192 CO -0.06 0.13 0.03 -0.13 -0.17 0.00 0.00 175.17 174.97 2whs s ARG 193 N 0.39 0.29 -0.10 4.34 0.52 0.02 -0.53 118.95 123.88 2whs s ARG 193 Ca 0.14 -0.40 0.01 0.00 -0.52 0.00 0.00 55.73 54.96 2whs s ARG 193 Cb -0.12 0.11 0.02 0.00 0.52 0.00 0.00 34.95 35.47 2whs s ARG 193 CO 0.02 -0.05 -0.13 0.21 0.02 0.00 0.00 175.30 175.37 2whs s LYS 194 N -1.08 1.91 -0.17 3.54 2.20 -0.42 -1.48 119.74 124.24 2whs s LYS 194 Ca -0.12 -0.45 -0.00 0.00 -0.36 0.00 0.00 55.97 55.04 2whs s LYS 194 Cb -0.07 -1.68 0.00 0.00 -1.51 0.00 0.00 37.83 34.57 2whs s LYS 194 CO -0.00 -0.09 -0.14 -1.17 -0.36 0.00 0.00 175.35 173.58 2whs s LEU 195 N 1.08 2.48 -0.01 5.43 0.20 -1.26 -1.41 118.68 125.18 2whs s LEU 195 Ca -0.06 -0.49 0.04 0.00 0.69 0.00 0.00 54.13 54.31 2whs s LEU 195 Cb -0.15 -1.57 -0.01 0.00 -0.43 0.00 0.00 46.19 44.03 2whs s LEU 195 CO -0.02 0.05 -0.13 -1.81 -0.29 0.00 0.00 176.35 174.16 2whs s ASP 196 N 1.00 1.47 -0.33 3.68 1.01 -0.49 -4.53 116.67 118.48 2whs s ASP 196 Ca -0.02 -0.23 -0.27 0.00 0.71 0.00 0.00 52.55 52.74 2whs s ASP 196 Cb -0.15 -0.16 0.01 0.00 1.01 0.00 0.00 42.92 43.63 2whs s ASP 196 CO -0.03 0.15 0.98 -0.69 0.21 0.00 0.00 175.17 175.79 2whs s VAL 197 N -0.31 4.59 -0.87 -1.27 1.01 -1.26 -0.71 120.40 121.58 2whs s VAL 197 Ca 0.05 1.51 0.24 0.00 0.00 0.00 0.00 61.98 63.78 2whs s VAL 197 Cb -0.05 -4.34 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 2whs s VAL 197 CO -0.00 -0.44 1.24 0.35 0.00 0.00 0.00 175.10 176.25 2whs n THR 198 N 5.81 0.08 -3.64 3.92 -2.24 -0.19 -4.96 114.28 113.06 2whs n THR 198 Ca 0.09 -0.09 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 2whs n THR 198 Cb 0.47 0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 68.94 2whs n THR 198 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2whs s SER 199 N -3.36 -0.11 -0.18 3.42 0.15 -1.20 -5.00 113.70 107.42 2whs s SER 199 Ca 0.08 0.20 -0.30 0.00 0.70 0.00 0.00 55.95 56.63 2whs s SER 199 Cb 0.16 0.20 0.14 0.00 -1.71 0.00 0.00 66.02 64.80 2whs s SER 199 CO 0.75 -0.05 1.05 -1.38 1.20 0.00 0.00 173.24 174.81 2whs s HIS 200 N -0.19 -0.32 0.72 3.44 -3.43 -1.26 -0.96 115.29 113.29 2whs s HIS 200 Ca 0.07 0.54 -0.11 0.00 -0.80 0.00 0.00 55.06 54.75 2whs s HIS 200 Cb -0.04 0.46 0.02 0.00 -1.43 0.00 0.00 32.58 31.59 2whs s HIS 200 CO -0.12 -0.30 1.09 0.54 -2.00 0.00 0.00 174.74 173.95 2whs s ASN 201 N -1.13 5.28 0.50 7.38 2.20 -0.86 -4.95 114.94 123.34 2whs s ASN 201 Ca 0.00 1.22 0.20 0.00 -0.94 0.00 0.00 52.86 53.34 2whs s ASN 201 Cb -0.01 -2.02 1.28 0.00 -2.00 0.00 0.00 41.25 38.50 2whs s ASN 201 CO -0.00 -1.46 2.08 0.03 -2.94 0.00 0.00 177.10 174.81 2whs h ARG 202 N -0.74 0.00 -0.13 3.55 3.08 -2.01 -1.41 114.38 116.71 2whs h ARG 202 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2whs h ARG 202 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2whs h ARG 202 CO 0.62 0.11 0.00 -0.40 -1.07 0.00 0.00 179.97 179.23 2whs n ASP 203 N -4.13 1.42 -2.89 7.04 5.68 -1.26 -4.94 116.55 117.46 2whs n ASP 203 Ca -0.02 -1.65 -0.21 0.00 -0.50 0.00 0.00 54.79 52.40 2whs n ASP 203 Cb 0.19 -0.08 0.01 0.00 -1.14 0.00 0.00 41.12 40.10 2whs n ASP 203 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 2whs n TYR 204 N 0.16 -1.68 0.65 2.11 4.02 -0.53 -4.40 117.16 117.48 2whs n TYR 204 Ca 0.16 0.35 0.12 0.00 -0.01 0.00 0.00 57.90 58.52 2whs n TYR 204 Cb 0.29 -3.91 0.15 0.00 -0.02 0.00 0.00 39.34 35.86 2whs n TYR 204 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2whs n THR 205 N -4.18 0.24 -3.79 -0.72 -2.24 -1.26 -4.71 114.28 97.62 2whs n THR 205 Ca -0.13 -0.21 -0.23 0.00 -2.27 0.00 0.00 64.05 61.21 2whs n THR 205 Cb 0.62 0.03 -0.17 0.00 -2.10 0.00 0.00 70.33 68.70 2whs n THR 205 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2whs s SER 206 N -3.91 1.60 -0.01 3.42 0.01 -1.26 -1.05 113.70 112.51 2whs s SER 206 Ca 0.07 -0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.23 2whs s SER 206 Cb 0.14 -0.46 0.00 0.00 0.21 0.00 0.00 66.02 65.92 2whs s SER 206 CO 0.74 -0.19 -0.02 -0.69 0.41 0.00 0.00 173.24 173.49 2whs s VAL 207 N 1.93 0.16 -0.06 3.43 1.01 -0.57 -2.04 120.40 124.26 2whs s VAL 207 Ca 0.05 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.01 2whs s VAL 207 Cb -0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 2whs s VAL 207 CO -0.05 0.06 -0.17 -1.61 0.00 0.00 0.00 175.10 173.33 2whs s GLU 208 N 0.14 2.61 0.10 2.72 2.02 -0.14 0.55 118.70 126.70 2whs s GLU 208 Ca -0.01 -0.76 0.06 0.00 0.02 0.00 0.00 54.97 54.28 2whs s GLU 208 Cb -0.03 -2.35 -0.03 0.00 0.10 0.00 0.00 34.13 31.82 2whs s GLU 208 CO -0.00 0.51 -0.14 -0.65 0.02 0.00 0.00 175.26 174.99 2whs s GLN 209 N -0.45 0.93 0.18 1.61 -0.21 -0.20 -1.02 119.66 120.51 2whs s GLN 209 Ca 0.05 -1.10 0.10 0.00 0.02 0.00 0.00 55.36 54.42 2whs s GLN 209 Cb -0.12 -0.87 -0.04 0.00 1.00 0.00 0.00 33.01 32.97 2whs s GLN 209 CO 0.02 0.18 -0.21 0.00 -2.12 0.00 0.00 175.29 173.16 2whs s GLU 211 N -2.72 0.03 -0.09 0.00 2.12 0.16 -1.40 118.70 116.80 2whs s GLU 211 Ca 0.17 0.04 0.04 0.00 0.36 0.00 0.00 54.97 55.58 2whs s GLU 211 Cb -0.07 0.01 -0.01 0.00 0.26 0.00 0.00 34.13 34.33 2whs s GLU 211 CO 0.08 -0.01 -0.21 0.42 -0.54 0.00 0.00 175.26 175.01 2whs s ILE 212 N 0.03 2.41 -0.05 -3.70 -1.09 -0.50 -2.17 121.20 116.13 2whs s ILE 212 Ca -0.00 -0.91 -0.02 0.00 -2.23 0.00 0.00 60.65 57.49 2whs s ILE 212 Cb -0.00 -1.94 0.03 0.00 -1.58 0.00 0.00 42.46 38.97 2whs s ILE 212 CO 0.00 0.56 0.08 0.00 -1.23 0.00 0.00 174.94 174.34 2whs s ALA 213 N 0.09 0.14 -0.12 9.38 0.00 -0.52 -1.31 121.76 129.42 2whs s ALA 213 Ca -0.09 0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.12 2whs s ALA 213 Cb -0.15 -0.62 0.04 0.00 0.00 0.00 0.00 23.12 22.38 2whs s ALA 213 CO 0.06 -0.47 -0.02 0.42 0.00 0.00 0.00 175.76 175.75 2whs s ILE 214 N 2.08 0.68 0.36 0.00 1.01 0.31 -1.99 121.20 123.65 2whs s ILE 214 Ca 0.03 -0.24 -0.20 0.00 0.00 0.00 0.00 60.65 60.24 2whs s ILE 214 Cb -0.12 -0.88 -0.10 0.00 0.01 0.00 0.00 42.46 41.37 2whs s ILE 214 CO -0.04 0.17 0.87 0.00 0.00 0.00 0.00 174.94 175.94 2whs s ALA 215 N 1.83 3.19 0.15 9.38 0.00 0.04 -0.61 121.76 135.73 2whs s ALA 215 Ca 0.03 0.31 -0.24 0.00 0.00 0.00 0.00 51.96 52.06 2whs s ALA 215 Cb -0.14 -3.02 0.06 0.00 0.00 0.00 0.00 23.12 20.02 2whs s ALA 215 CO -0.07 0.21 0.74 -0.98 0.00 0.00 0.00 175.76 175.66 2whs s ARG 216 N -2.77 1.29 0.70 0.00 1.70 -0.64 -4.43 118.95 114.80 2whs s ARG 216 Ca 0.55 -0.58 -0.16 0.00 -0.47 0.00 0.00 55.73 55.07 2whs s ARG 216 Cb -0.12 0.52 0.02 0.00 -0.57 0.00 0.00 34.95 34.80 2whs s ARG 216 CO 0.17 -0.58 1.25 -1.01 -1.08 0.00 0.00 175.30 174.05 2whs s HIS 217 N -3.59 2.03 0.46 5.89 3.76 -1.26 -1.78 115.29 120.79 2whs s HIS 217 Ca 0.06 1.56 0.04 0.00 -0.15 0.00 0.00 55.06 56.56 2whs s HIS 217 Cb -0.02 -3.58 0.01 0.00 1.11 0.00 0.00 32.58 30.10 2whs s HIS 217 CO -0.05 -2.79 0.65 -1.12 -0.85 0.00 0.00 174.74 170.57 2whs s SER 218 N -1.73 5.61 0.00 1.40 0.01 -1.26 -4.66 113.70 113.07 2whs s SER 218 Ca 0.78 -0.07 0.06 0.00 1.31 0.00 0.00 55.95 58.03 2whs s SER 218 Cb -0.33 -1.03 0.34 0.00 0.21 0.00 0.00 66.02 65.21 2whs s SER 218 CO 0.43 -0.83 0.81 0.18 0.41 0.00 0.00 173.24 174.23