#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2whu h VAL 3 N 0.00 1.12 -3.84 2.46 2.07 -1.98 -3.37 116.25 112.71 2whu h VAL 3 Ca 0.00 -0.27 -0.67 0.00 0.82 0.00 0.00 66.70 66.58 2whu h VAL 3 Cb 0.00 0.27 -0.36 0.00 -1.52 0.00 0.00 31.29 29.68 2whu h VAL 3 CO 0.00 0.14 -0.78 -0.63 0.02 0.00 0.00 177.57 176.33 2whu s ILE 4 N -5.67 2.37 0.78 4.57 1.01 -1.26 -4.97 121.20 118.02 2whu s ILE 4 Ca -0.10 -1.57 -0.13 0.00 0.00 0.00 0.00 60.65 58.85 2whu s ILE 4 Cb 0.18 -2.38 0.18 0.00 0.01 0.00 0.00 42.46 40.45 2whu s ILE 4 CO 0.76 -0.05 0.99 0.00 0.00 0.00 0.00 174.94 176.64 2whu n ALA 5 N 4.48 -1.39 0.11 9.38 0.00 -1.26 -4.94 120.51 126.89 2whu n ALA 5 Ca -0.14 -1.31 0.02 0.00 0.00 0.00 0.00 53.44 52.01 2whu n ALA 5 Cb 0.42 -0.07 -0.00 0.00 0.00 0.00 0.00 19.45 19.80 2whu n ALA 5 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2whu h LYS 6 N 0.00 0.00 -3.87 0.00 1.57 -1.96 -3.42 116.57 108.90 2whu h LYS 6 Ca -0.33 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.09 2whu h LYS 6 Cb 0.91 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 32.89 2whu h LYS 6 CO 0.23 0.48 -0.76 -1.14 -0.57 0.00 0.00 179.45 177.69 2whu s GLN 7 N -2.95 0.52 0.15 3.15 2.00 -1.26 -4.03 119.66 117.24 2whu s GLN 7 Ca 0.02 -0.01 -0.04 0.00 -2.00 0.00 0.00 55.36 53.33 2whu s GLN 7 Cb 0.08 -0.62 -0.03 0.00 0.80 0.00 0.00 33.01 33.24 2whu s GLN 7 CO 0.76 -0.10 0.16 -1.64 -0.50 0.00 0.00 175.29 173.97 2whu s MET 8 N 0.91 1.04 0.51 1.67 -1.94 -0.77 -5.04 119.30 115.70 2whu s MET 8 Ca -0.10 -1.33 0.01 0.00 -1.71 0.00 0.00 55.69 52.55 2whu s MET 8 Cb -0.14 0.30 -0.01 0.00 2.01 0.00 0.00 34.83 37.00 2whu s MET 8 CO -0.01 -0.34 0.00 0.95 -0.01 0.00 0.00 175.02 175.61 2whu s THR 9 N -4.02 1.11 0.16 2.05 -4.23 -0.33 -1.79 115.64 108.58 2whu s THR 9 Ca 0.22 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.49 2whu s THR 9 Cb 0.06 -2.12 0.06 0.00 1.34 0.00 0.00 72.50 71.84 2whu s THR 9 CO 0.02 0.00 0.79 -0.72 -0.54 0.00 0.00 174.62 174.16 2whu s TYR 10 N -2.89 -0.30 -0.02 3.99 -0.85 0.22 -1.67 117.35 115.83 2whu s TYR 10 Ca 0.04 0.01 0.04 0.00 -0.52 0.00 0.00 57.07 56.64 2whu s TYR 10 Cb 0.01 0.62 -0.01 0.00 0.38 0.00 0.00 41.96 42.96 2whu s TYR 10 CO 0.02 -0.89 -0.12 0.21 -1.52 0.00 0.00 175.55 173.25 2whu s LYS 11 N -3.55 1.08 -0.02 -3.49 2.47 -0.63 -0.57 119.74 115.03 2whu s LYS 11 Ca 0.08 -0.43 0.03 0.00 -1.56 0.00 0.00 55.97 54.09 2whu s LYS 11 Cb -0.02 -1.02 -0.00 0.00 -1.46 0.00 0.00 37.83 35.32 2whu s LYS 11 CO -0.03 0.24 -0.12 0.54 0.16 0.00 0.00 175.35 176.14 2whu s VAL 12 N -0.16 1.01 -0.11 4.02 0.11 0.21 -0.79 120.40 124.70 2whu s VAL 12 Ca 0.02 -0.51 -0.01 0.00 -2.93 0.00 0.00 61.98 58.56 2whu s VAL 12 Cb -0.06 -0.87 0.03 0.00 -1.53 0.00 0.00 36.38 33.94 2whu s VAL 12 CO -0.00 0.30 -0.07 -0.31 -3.33 0.00 0.00 175.10 171.69 2whu s TYR 13 N -0.02 1.43 0.03 1.54 1.51 0.10 -1.36 117.35 120.59 2whu s TYR 13 Ca -0.00 -0.71 0.05 0.00 -1.01 0.00 0.00 57.07 55.39 2whu s TYR 13 Cb -0.08 -1.20 -0.02 0.00 -0.11 0.00 0.00 41.96 40.55 2whu s TYR 13 CO 0.00 -0.50 -0.14 1.41 -1.11 0.00 0.00 175.55 175.22 2whu s MET 14 N 1.73 0.92 -0.00 -0.62 1.75 0.19 0.10 119.30 123.37 2whu s MET 14 Ca 0.05 -0.71 -0.28 0.00 -1.25 0.00 0.00 55.69 53.50 2whu s MET 14 Cb -0.13 -0.92 0.09 0.00 2.84 0.00 0.00 34.83 36.71 2whu s MET 14 CO -0.08 0.23 0.76 -1.54 -0.65 0.00 0.00 175.02 173.74 2whu s SER 15 N -1.02 -0.52 0.00 1.11 1.04 -1.10 -1.80 113.70 111.40 2whu s SER 15 Ca 0.02 0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.77 2whu s SER 15 Cb -0.07 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2whu s SER 15 CO 0.01 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.17 2whu n GLY 16 N 0.29 -0.60 3.23 7.32 0.00 -1.09 -0.80 105.19 113.54 2whu n GLY 16 Ca -0.15 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 2whu n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2whu s THR 17 N -3.00 0.02 -0.21 2.61 2.01 0.21 -1.80 115.64 115.48 2whu s THR 17 Ca 0.00 -0.18 -0.06 0.00 0.31 0.00 0.00 61.69 61.77 2whu s THR 17 Cb 0.00 -0.52 0.10 0.00 0.01 0.00 0.00 72.50 72.10 2whu s THR 17 CO 0.00 -0.10 0.40 -0.69 -0.69 0.00 0.00 174.62 173.55 2whu s VAL 18 N -0.38 -0.63 -1.60 3.82 1.01 -0.59 -1.30 120.40 120.74 2whu s VAL 18 Ca -0.05 0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.87 2whu s VAL 18 Cb -0.03 -0.70 0.14 0.00 0.00 0.00 0.00 36.38 35.78 2whu s VAL 18 CO 0.02 0.02 0.77 0.59 0.00 0.00 0.00 175.10 176.49 2whu n ASN 19 N 5.38 -3.61 0.00 3.32 4.13 0.27 -0.44 115.26 124.32 2whu n ASN 19 Ca -0.07 -0.86 0.00 0.00 1.68 0.00 0.00 54.58 55.33 2whu n ASN 19 Cb 0.50 -2.95 0.00 0.00 -1.54 0.00 0.00 39.78 35.79 2whu n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2whu n GLY 20 N -1.38 2.95 3.71 7.41 0.00 -1.26 -5.04 105.19 111.58 2whu n GLY 20 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2whu n GLY 20 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2whu s HIS 21 N -2.39 3.64 -0.04 1.61 5.04 0.42 -5.01 115.29 118.57 2whu s HIS 21 Ca 0.00 1.64 -0.08 0.00 -1.54 0.00 0.00 55.06 55.08 2whu s HIS 21 Cb 0.00 -3.09 -0.05 0.00 0.04 0.00 0.00 32.58 29.49 2whu s HIS 21 CO 0.00 -0.01 0.25 -0.47 -2.34 0.00 0.00 174.74 172.17 2whu s TYR 22 N 1.04 3.61 0.25 3.88 5.04 -1.26 -1.54 117.35 128.37 2whu s TYR 22 Ca 0.50 0.63 -0.17 0.00 -2.44 0.00 0.00 57.07 55.58 2whu s TYR 22 Cb -0.20 -2.02 0.01 0.00 0.35 0.00 0.00 41.96 40.10 2whu s TYR 22 CO 0.26 0.66 0.60 -0.59 -1.34 0.00 0.00 175.55 175.14 2whu s PHE 23 N -1.17 0.02 0.07 4.97 -0.12 -0.75 -4.21 117.98 116.79 2whu s PHE 23 Ca 0.23 -0.42 -0.16 0.00 -0.05 0.00 0.00 56.93 56.53 2whu s PHE 23 Cb -0.13 0.46 0.03 0.00 -0.63 0.00 0.00 43.02 42.75 2whu s PHE 23 CO 0.12 -1.09 0.36 -1.21 -0.05 0.00 0.00 175.22 173.34 2whu s GLU 24 N -3.95 0.92 -0.20 1.99 2.02 0.78 -2.68 118.70 117.58 2whu s GLU 24 Ca 0.15 -0.53 -0.10 0.00 0.02 0.00 0.00 54.97 54.51 2whu s GLU 24 Cb -0.03 0.40 0.07 0.00 0.10 0.00 0.00 34.13 34.67 2whu s GLU 24 CO 0.06 -0.32 0.47 0.08 0.02 0.00 0.00 175.26 175.58 2whu s VAL 25 N -2.91 -0.15 0.01 2.63 1.01 -0.75 -1.54 120.40 118.69 2whu s VAL 25 Ca -0.03 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.10 2whu s VAL 25 Cb 0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 2whu s VAL 25 CO -0.06 0.03 -0.20 -1.61 0.00 0.00 0.00 175.10 173.27 2whu s GLU 26 N 1.69 1.53 0.01 2.72 2.02 -0.26 -0.64 118.70 125.77 2whu s GLU 26 Ca -0.08 -0.79 -0.01 0.00 0.02 0.00 0.00 54.97 54.10 2whu s GLU 26 Cb -0.08 -1.54 -0.01 0.00 0.10 0.00 0.00 34.13 32.60 2whu s GLU 26 CO -0.14 0.41 0.01 0.20 0.02 0.00 0.00 175.26 175.76 2whu s GLY 27 N -0.72 0.12 -0.11 -1.39 0.00 -0.46 0.03 107.32 104.78 2whu s GLY 27 Ca 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 44.72 44.49 2whu s GLY 27 CO 0.00 -0.34 -0.03 0.99 0.00 0.00 0.00 173.10 173.72 2whu s ASP 28 N -0.92 4.91 0.18 1.64 1.01 -0.36 -0.62 116.67 122.52 2whu s ASP 28 Ca -0.10 -0.02 -0.04 0.00 0.71 0.00 0.00 52.55 53.10 2whu s ASP 28 Cb -0.06 -1.54 -0.03 0.00 1.01 0.00 0.00 42.92 42.30 2whu s ASP 28 CO -0.00 0.28 0.19 -0.83 0.21 0.00 0.00 175.17 175.02 2whu s GLY 29 N -0.30 1.02 -0.29 0.21 0.00 0.26 0.12 107.32 108.34 2whu s GLY 29 Ca 0.05 -1.37 -0.25 0.00 0.00 0.00 0.00 44.72 43.15 2whu s GLY 29 CO 0.02 -1.17 1.21 -1.59 0.00 0.00 0.00 173.10 171.57 2whu s LYS 30 N -4.08 0.31 0.00 2.90 -2.85 -0.88 -0.61 119.74 114.54 2whu s LYS 30 Ca 0.29 0.36 0.00 0.00 -1.00 0.00 0.00 55.97 55.62 2whu s LYS 30 Cb 0.05 0.15 0.00 0.00 -2.06 0.00 0.00 37.83 35.97 2whu s LYS 30 CO 0.07 -0.04 0.00 0.41 0.10 0.00 0.00 175.35 175.89 2whu n GLY 31 N 1.91 0.77 3.00 0.59 0.00 -0.74 -1.65 105.19 109.06 2whu n GLY 31 Ca -0.11 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 2whu n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2whu s LYS 32 N -1.73 1.55 0.65 1.61 1.02 -0.44 -1.84 119.74 120.56 2whu s LYS 32 Ca 0.00 -1.67 0.40 0.00 0.02 0.00 0.00 55.97 54.71 2whu s LYS 32 Cb 0.00 -3.02 2.20 0.00 -0.52 0.00 0.00 37.83 36.49 2whu s LYS 32 CO 0.00 -0.86 2.28 -1.35 -0.92 0.00 0.00 175.35 174.50 2whu h PRO 33 N 7.70 0.00 0.00 -1.68 0.11 -1.81 0.51 132.00 136.83 2whu h PRO 33 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2whu h PRO 33 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2whu h PRO 33 CO 0.50 0.00 -0.71 0.66 -0.21 0.00 0.00 178.00 178.24 2whu n TYR 34 N -3.22 0.49 0.03 0.65 4.01 -1.26 -3.38 117.16 114.49 2whu n TYR 34 Ca -0.03 0.14 0.02 0.00 -0.16 0.00 0.00 57.90 57.88 2whu n TYR 34 Cb 0.13 -0.61 -0.08 0.00 -0.31 0.00 0.00 39.34 38.47 2whu n TYR 34 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2whu n GLU 35 N -2.08 0.62 -0.92 -0.72 -0.58 0.17 -4.55 120.64 112.58 2whu n GLU 35 Ca 0.03 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 2whu n GLU 35 Cb 0.44 -1.77 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 2whu n GLU 35 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2whu n GLY 36 N 1.37 0.63 3.26 0.62 0.00 -0.90 -4.44 105.19 105.74 2whu n GLY 36 Ca -0.09 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 2whu n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2whu s GLU 37 N -1.93 2.04 0.05 1.61 2.02 -1.21 -1.43 118.70 119.84 2whu s GLU 37 Ca 0.00 -0.84 -0.25 0.00 0.02 0.00 0.00 54.97 53.90 2whu s GLU 37 Cb 0.00 -1.90 0.06 0.00 0.10 0.00 0.00 34.13 32.40 2whu s GLU 37 CO 0.00 0.46 0.58 1.14 0.02 0.00 0.00 175.26 177.47 2whu s GLN 38 N -0.43 1.10 0.45 1.61 -2.07 -0.85 -1.32 119.66 118.15 2whu s GLN 38 Ca 0.06 -0.16 0.05 0.00 -1.82 0.00 0.00 55.36 53.49 2whu s GLN 38 Cb -0.10 0.51 -0.05 0.00 -1.09 0.00 0.00 33.01 32.27 2whu s GLN 38 CO 0.00 -0.41 0.01 0.95 -1.32 0.00 0.00 175.29 174.53 2whu s THR 39 N -2.42 1.62 -0.10 3.63 -4.23 -0.66 -0.65 115.64 112.82 2whu s THR 39 Ca -0.05 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.17 2whu s THR 39 Cb -0.01 -2.66 0.07 0.00 1.34 0.00 0.00 72.50 71.25 2whu s THR 39 CO -0.01 0.00 0.67 0.54 -0.54 0.00 0.00 174.62 175.28 2whu s VAL 40 N -2.80 0.00 -0.12 2.29 0.11 -0.71 -2.06 120.40 117.10 2whu s VAL 40 Ca 0.23 -0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.29 2whu s VAL 40 Cb 0.07 -0.98 -0.00 0.00 -1.53 0.00 0.00 36.38 33.93 2whu s VAL 40 CO 0.12 -0.01 -0.18 -0.54 -3.33 0.00 0.00 175.10 171.16 2whu s LYS 41 N -0.78 3.20 -0.09 1.54 1.02 0.12 -2.23 119.74 122.51 2whu s LYS 41 Ca -0.08 -0.78 0.01 0.00 0.02 0.00 0.00 55.97 55.14 2whu s LYS 41 Cb -0.01 -2.49 -0.02 0.00 -0.52 0.00 0.00 37.83 34.78 2whu s LYS 41 CO 0.07 0.14 -0.12 -0.51 -0.92 0.00 0.00 175.35 174.02 2whu s LEU 42 N 0.48 2.85 -0.07 3.17 2.01 0.57 -1.22 118.68 126.47 2whu s LEU 42 Ca -0.13 -0.20 0.01 0.00 0.01 0.00 0.00 54.13 53.82 2whu s LEU 42 Cb -0.17 -1.62 -0.03 0.00 0.01 0.00 0.00 46.19 44.39 2whu s LEU 42 CO 0.05 0.27 -0.07 -0.89 1.01 0.00 0.00 176.35 176.72 2whu s THR 43 N -0.30 3.65 -1.11 5.49 2.01 0.10 -2.54 115.64 122.95 2whu s THR 43 Ca 0.03 -0.50 -0.20 0.00 0.31 0.00 0.00 61.69 61.33 2whu s THR 43 Cb -0.13 -2.49 0.08 0.00 0.01 0.00 0.00 72.50 69.98 2whu s THR 43 CO 0.03 0.60 1.49 -0.69 -0.69 0.00 0.00 174.62 175.35 2whu s VAL 44 N -0.80 4.20 0.19 3.82 1.01 -0.74 -1.11 120.40 126.97 2whu s VAL 44 Ca 0.12 -1.40 0.18 0.00 0.00 0.00 0.00 61.98 60.89 2whu s VAL 44 Cb -0.11 -5.05 0.18 0.00 0.00 0.00 0.00 36.38 31.41 2whu s VAL 44 CO 0.01 -1.88 1.50 0.71 0.00 0.00 0.00 175.10 175.45 2whu h THR 45 N 6.09 0.00 -1.45 3.92 1.35 -1.60 -3.43 112.91 117.79 2whu h THR 45 Ca 0.28 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 66.26 2whu h THR 45 Cb 0.96 0.41 -0.25 0.00 -1.73 0.00 0.00 68.15 67.54 2whu h THR 45 CO 1.38 0.00 0.26 -0.75 -0.25 0.00 0.00 175.52 176.16 2whu s LYS 46 N -3.57 0.40 0.00 4.72 2.20 -0.63 -4.89 119.74 117.97 2whu s LYS 46 Ca -0.02 0.80 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 2whu s LYS 46 Cb 0.05 0.26 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 2whu s LYS 46 CO 0.17 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.47 2whu n GLY 47 N 4.30 0.75 3.78 5.54 0.00 -1.26 -0.16 105.19 118.14 2whu n GLY 47 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 2whu n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2whu s GLY 48 N -1.78 2.77 0.20 -0.02 0.00 -1.26 -3.92 107.32 103.30 2whu s GLY 48 Ca 0.00 0.78 -0.30 0.00 0.00 0.00 0.00 44.72 45.20 2whu s GLY 48 CO 0.00 1.22 1.10 2.56 0.00 0.00 0.00 173.10 177.98 2whu s PRO 49 N -2.48 4.61 0.27 2.90 0.04 -1.26 -5.09 135.00 133.98 2whu s PRO 49 Ca 0.58 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 63.06 2whu s PRO 49 Cb -0.24 -3.25 -0.11 0.00 0.04 0.00 0.00 34.50 30.93 2whu s PRO 49 CO 0.30 0.12 1.63 -0.51 0.04 0.00 0.00 177.00 178.58 2whu s LEU 50 N -0.65 4.35 0.00 -3.56 1.43 -1.25 -4.89 118.68 114.11 2whu s LEU 50 Ca 0.48 2.93 0.26 0.00 -1.03 0.00 0.00 54.13 56.77 2whu s LEU 50 Cb -0.30 -3.63 1.14 0.00 0.03 0.00 0.00 46.19 43.43 2whu s LEU 50 CO 0.36 -0.93 1.83 -0.81 0.23 0.00 0.00 176.35 177.03 2whu n PRO 51 N 2.67 0.07 -4.50 1.29 -0.04 -1.26 -4.87 135.00 128.36 2whu n PRO 51 Ca 0.10 0.06 -0.25 0.00 -0.04 0.00 0.00 63.50 63.37 2whu n PRO 51 Cb 0.37 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 2whu n PRO 51 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2whu s PHE 52 N -2.92 2.33 0.13 0.54 -0.12 -1.26 -4.75 117.98 111.93 2whu s PHE 52 Ca 0.15 -0.39 -0.35 0.00 -0.05 0.00 0.00 56.93 56.29 2whu s PHE 52 Cb 0.17 -1.14 -0.16 0.00 -0.63 0.00 0.00 43.02 41.26 2whu s PHE 52 CO 0.46 0.67 1.20 0.00 -0.05 0.00 0.00 175.22 177.50 2whu n ALA 53 N -0.69 -1.08 0.16 1.99 0.00 -0.79 -4.82 120.51 115.29 2whu n ALA 53 Ca -0.05 0.49 0.15 0.00 0.00 0.00 0.00 53.44 54.04 2whu n ALA 53 Cb 0.61 -2.02 0.73 0.00 0.00 0.00 0.00 19.45 18.78 2whu n ALA 53 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2whu h TRP 54 N 3.71 0.00 -0.06 0.00 2.91 -1.96 -3.25 115.95 117.30 2whu h TRP 54 Ca -0.45 0.00 -0.09 0.00 1.13 0.00 0.00 58.89 59.48 2whu h TRP 54 Cb 1.35 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.99 2whu h TRP 54 CO 0.56 0.00 -0.39 -0.44 -1.03 0.00 0.00 178.44 177.14 2whu h ASP 55 N 0.00 0.13 0.29 2.65 3.32 -1.98 -2.02 116.42 118.82 2whu h ASP 55 Ca 0.11 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 2whu h ASP 55 Cb 0.50 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 2whu h ASP 55 CO -0.00 0.52 -0.13 0.16 -1.72 0.00 0.00 179.24 178.07 2whu h ILE 56 N 0.11 0.71 0.05 0.35 3.07 -1.95 -1.63 117.51 118.22 2whu h ILE 56 Ca 0.01 -0.53 -0.24 0.00 1.55 0.00 0.00 64.86 65.65 2whu h ILE 56 Cb 0.75 1.32 0.00 0.00 -0.27 0.00 0.00 36.82 38.62 2whu h ILE 56 CO 0.06 0.13 -1.04 -0.07 -1.05 0.00 0.00 178.15 176.17 2whu h LEU 57 N 0.00 0.44 -0.79 0.16 3.38 -1.61 -3.41 115.31 113.48 2whu h LEU 57 Ca -0.00 -0.40 0.07 0.00 0.09 0.00 0.00 57.88 57.64 2whu h LEU 57 Cb 0.31 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 40.83 2whu h LEU 57 CO 0.02 1.23 -0.47 -1.20 0.09 0.00 0.00 178.44 178.11 2whu n SER 58 N -3.65 -0.84 0.00 -0.43 7.64 -0.61 0.86 113.62 116.58 2whu n SER 58 Ca -0.07 1.52 0.06 0.00 1.01 0.00 0.00 58.87 61.40 2whu n SER 58 Cb 0.90 -0.23 0.38 0.00 -1.01 0.00 0.00 64.21 64.25 2whu n SER 58 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2whu n PRO 59 N -4.87 0.78 -0.96 1.43 -0.04 -1.26 -2.04 135.00 128.05 2whu n PRO 59 Ca 0.02 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.47 2whu n PRO 59 Cb 0.21 -1.26 0.34 0.00 -0.04 0.00 0.00 33.50 32.75 2whu n PRO 59 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2whu n GLN 60 N -0.76 4.08 -2.07 0.54 1.13 0.25 -4.77 117.38 115.78 2whu n GLN 60 Ca 0.10 -3.12 -0.17 0.00 -1.94 0.00 0.00 57.00 51.87 2whu n GLN 60 Cb 0.04 -2.22 0.04 0.00 0.11 0.00 0.00 30.24 28.22 2whu n GLN 60 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2whu n LEU 61 N 0.08 4.08 0.00 1.08 4.77 -0.86 -4.90 117.00 121.25 2whu n LEU 61 Ca 0.36 -4.32 0.00 0.00 -0.03 0.00 0.00 56.01 52.01 2whu n LEU 61 Cb 1.30 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 42.20 2whu n LEU 61 CO 0.38 1.83 0.00 -1.54 -1.33 0.00 0.00 177.39 176.74 2whu n SER 65 N -0.70 0.00 0.26 -1.43 3.41 -1.26 -5.03 113.62 108.88 2whu n SER 65 Ca 0.35 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 59.06 2whu n SER 65 Cb 0.92 0.00 0.70 0.00 -0.26 0.00 0.00 64.21 65.57 2whu n SER 65 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2whu h ILE 66 N 0.00 0.83 0.00 -1.33 1.08 -2.02 -3.14 117.51 112.93 2whu h ILE 66 Ca 0.00 -0.23 -0.00 0.00 -0.39 0.00 0.00 64.86 64.23 2whu h ILE 66 Cb 0.00 1.13 -0.00 0.00 -3.07 0.00 0.00 36.82 34.88 2whu h ILE 66 CO 0.00 0.06 -0.02 -0.65 -0.69 0.00 0.00 178.15 176.85 2whu h PRO 67 N 0.00 0.00 -2.85 2.37 0.11 -1.95 -3.03 132.00 126.65 2whu h PRO 67 Ca -0.00 0.00 -0.75 0.00 0.11 0.00 0.00 66.00 65.35 2whu h PRO 67 Cb 0.13 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 31.09 2whu h PRO 67 CO 0.01 0.02 2.12 1.19 -0.21 0.00 0.00 178.00 181.13 2whu n PHE 68 N -3.26 2.68 -3.91 0.65 3.01 -1.19 -4.61 117.46 110.83 2whu n PHE 68 Ca -0.02 -2.78 -0.26 0.00 1.01 0.00 0.00 57.45 55.40 2whu n PHE 68 Cb 0.15 -1.78 -0.17 0.00 -0.01 0.00 0.00 39.48 37.66 2whu n PHE 68 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2whu s THR 69 N -1.07 0.91 -0.31 4.37 2.01 -1.15 -4.01 115.64 116.39 2whu s THR 69 Ca 0.48 -0.22 -0.29 0.00 0.31 0.00 0.00 61.69 61.96 2whu s THR 69 Cb 0.15 -0.95 -0.00 0.00 0.01 0.00 0.00 72.50 71.71 2whu s THR 69 CO -0.06 0.35 1.45 -0.75 -0.69 0.00 0.00 174.62 174.92 2whu s LYS 70 N 1.70 3.74 -0.04 4.92 2.20 0.02 -4.69 119.74 127.59 2whu s LYS 70 Ca 0.04 1.27 -0.03 0.00 -0.36 0.00 0.00 55.97 56.89 2whu s LYS 70 Cb -0.13 -3.98 -0.04 0.00 -1.51 0.00 0.00 37.83 32.17 2whu s LYS 70 CO -0.07 -1.35 0.12 0.71 -0.36 0.00 0.00 175.35 174.40 2whu s TYR 71 N 5.07 3.43 0.42 4.03 1.51 -1.26 -1.10 117.35 129.45 2whu s TYR 71 Ca 0.63 0.33 -0.23 0.00 -1.01 0.00 0.00 57.07 56.79 2whu s TYR 71 Cb -0.18 -1.82 -0.09 0.00 -0.11 0.00 0.00 41.96 39.76 2whu s TYR 71 CO 0.28 0.62 1.04 -1.25 -1.11 0.00 0.00 175.55 175.13 2whu s PRO 72 N -1.55 4.10 0.59 -1.71 0.05 -1.26 -4.90 135.00 130.32 2whu s PRO 72 Ca 0.21 1.45 0.31 0.00 0.05 0.00 0.00 61.00 63.02 2whu s PRO 72 Cb -0.12 -2.42 1.23 0.00 0.05 0.00 0.00 34.50 33.23 2whu s PRO 72 CO 0.12 -0.19 1.53 0.93 0.05 0.00 0.00 177.00 179.44 2whu h GLU 73 N 2.26 0.00 -0.43 4.56 5.08 -2.02 0.14 114.58 124.18 2whu h GLU 73 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2whu h GLU 73 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2whu h GLU 73 CO 0.62 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.23 2whu n ASP 74 N -3.53 2.61 -4.13 1.42 5.75 -1.26 -4.77 116.55 112.64 2whu n ASP 74 Ca 0.22 -1.95 -0.29 0.00 -0.01 0.00 0.00 54.79 52.77 2whu n ASP 74 Cb 1.35 -0.28 -0.17 0.00 -1.03 0.00 0.00 41.12 40.99 2whu n ASP 74 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2whu s ILE 75 N -1.44 1.65 -0.27 2.12 1.01 0.49 -5.05 121.20 119.71 2whu s ILE 75 Ca 0.34 -0.78 -0.29 0.00 0.00 0.00 0.00 60.65 59.92 2whu s ILE 75 Cb 0.18 -1.45 -0.06 0.00 0.01 0.00 0.00 42.46 41.14 2whu s ILE 75 CO 0.25 0.47 2.24 -2.65 0.00 0.00 0.00 174.94 175.25 2whu n PRO 76 N 3.67 1.72 -1.05 2.79 -0.02 -1.26 -4.64 135.00 136.20 2whu n PRO 76 Ca -0.21 0.44 -0.32 0.00 -2.02 0.00 0.00 63.50 61.39 2whu n PRO 76 Cb 0.52 -3.12 -0.03 0.00 -0.02 0.00 0.00 33.50 30.85 2whu n PRO 76 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2whu n ASP 77 N 11.83 5.08 -0.06 2.55 -0.08 -1.26 -4.09 116.55 130.53 2whu n ASP 77 Ca 0.33 -2.51 0.04 0.00 -1.51 0.00 0.00 54.79 51.14 2whu n ASP 77 Cb 0.42 -1.26 0.08 0.00 2.34 0.00 0.00 41.12 42.70 2whu n ASP 77 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2whu n TYR 78 N 4.98 0.15 0.19 -0.67 9.36 -1.26 -0.92 117.16 129.00 2whu n TYR 78 Ca 0.53 0.20 -0.13 0.00 3.32 0.00 0.00 57.90 61.83 2whu n TYR 78 Cb 0.24 -0.66 -0.07 0.00 -0.63 0.00 0.00 39.34 38.22 2whu n TYR 78 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2whu h PHE 79 N 0.00 -0.47 -0.92 2.98 0.04 -1.94 -2.74 116.94 113.89 2whu h PHE 79 Ca 0.12 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 2whu h PHE 79 Cb 0.30 0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.56 2whu h PHE 79 CO -0.04 -0.14 0.54 0.87 -0.60 0.00 0.00 178.31 178.93 2whu h LYS 80 N -0.92 1.26 -0.97 1.51 1.57 -1.45 -2.81 116.57 114.76 2whu h LYS 80 Ca -0.05 -0.12 0.16 0.00 -1.87 0.00 0.00 60.65 58.76 2whu h LYS 80 Cb 0.54 -0.26 -0.09 0.00 0.08 0.00 0.00 32.23 32.51 2whu h LYS 80 CO 0.09 0.89 0.61 1.96 -0.57 0.00 0.00 179.45 182.43 2whu h GLN 81 N 1.27 0.75 0.00 3.15 4.20 -0.99 -2.03 115.11 121.45 2whu h GLN 81 Ca 0.33 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.99 2whu h GLN 81 Cb -0.03 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.58 2whu h GLN 81 CO -0.06 0.50 0.00 -1.13 -0.67 0.00 0.00 178.83 177.47 2whu n SER 82 N -4.64 0.41 -4.89 1.46 3.41 -1.04 -4.73 113.62 103.60 2whu n SER 82 Ca 0.20 0.63 -0.29 0.00 -0.26 0.00 0.00 58.87 59.15 2whu n SER 82 Cb 0.50 -0.71 -0.00 0.00 -0.26 0.00 0.00 64.21 63.75 2whu n SER 82 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2whu s PHE 83 N -3.25 3.58 -1.51 7.33 0.40 -0.77 0.22 117.98 123.98 2whu s PHE 83 Ca 0.03 1.00 0.29 0.00 -0.60 0.00 0.00 56.93 57.66 2whu s PHE 83 Cb 0.08 -2.46 1.36 0.00 0.51 0.00 0.00 43.02 42.50 2whu s PHE 83 CO 0.28 -0.41 1.95 -0.35 0.70 0.00 0.00 175.22 177.39 2whu n PRO 84 N -2.35 0.53 0.18 0.24 -0.04 -1.26 -4.75 135.00 127.55 2whu n PRO 84 Ca 0.03 -0.10 0.03 0.00 -0.04 0.00 0.00 63.50 63.41 2whu n PRO 84 Cb 0.55 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.84 2whu n PRO 84 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2whu h GLU 85 N 0.26 0.00 0.00 0.54 3.07 -1.91 -3.40 114.58 113.14 2whu h GLU 85 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2whu h GLU 85 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 2whu h GLU 85 CO 0.00 0.42 0.00 0.41 -1.40 0.00 0.00 179.01 178.44 2whu n GLY 86 N -0.19 1.27 3.85 -3.84 0.00 0.13 -4.73 105.19 101.69 2whu n GLY 86 Ca -0.01 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 45.29 2whu n GLY 86 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2whu s TYR 87 N 0.00 0.05 0.19 1.61 -0.85 -0.17 -0.33 117.35 117.86 2whu s TYR 87 Ca 0.00 -0.49 -0.03 0.00 -0.52 0.00 0.00 57.07 56.03 2whu s TYR 87 Cb 0.00 0.72 -0.03 0.00 0.38 0.00 0.00 41.96 43.03 2whu s TYR 87 CO 0.00 -1.04 0.17 0.95 -1.52 0.00 0.00 175.55 174.11 2whu s THR 88 N -2.36 0.02 0.26 -3.49 -4.23 -0.05 -0.44 115.64 105.35 2whu s THR 88 Ca 0.19 -1.89 -0.21 0.00 -1.18 0.00 0.00 61.69 58.60 2whu s THR 88 Cb -0.03 -2.37 0.03 0.00 1.34 0.00 0.00 72.50 71.48 2whu s THR 88 CO 0.06 -0.08 0.79 -1.66 -0.54 0.00 0.00 174.62 173.19 2whu s TRP 89 N -4.12 -0.14 0.05 3.99 1.48 -0.74 0.17 118.94 119.63 2whu s TRP 89 Ca 0.34 -0.31 0.01 0.00 -1.06 0.00 0.00 56.10 55.08 2whu s TRP 89 Cb 0.06 0.71 -0.03 0.00 -1.16 0.00 0.00 33.47 33.05 2whu s TRP 89 CO 0.10 -1.18 -0.05 -1.21 -4.06 0.00 0.00 176.95 170.55 2whu s GLU 90 N -3.59 0.55 -0.09 3.25 0.41 -0.76 -1.73 118.70 116.73 2whu s GLU 90 Ca 0.12 -0.93 -0.22 0.00 -0.41 0.00 0.00 54.97 53.53 2whu s GLU 90 Cb -0.05 -0.06 0.05 0.00 -1.78 0.00 0.00 34.13 32.29 2whu s GLU 90 CO 0.06 -0.02 0.52 0.50 -0.49 0.00 0.00 175.26 175.83 2whu s ARG 91 N -2.48 0.80 0.11 1.61 3.52 0.65 -1.38 118.95 121.77 2whu s ARG 91 Ca -0.04 0.29 0.06 0.00 -0.13 0.00 0.00 55.73 55.91 2whu s ARG 91 Cb -0.03 0.37 -0.04 0.00 -1.56 0.00 0.00 34.95 33.70 2whu s ARG 91 CO -0.03 -0.20 -0.15 -1.54 -0.81 0.00 0.00 175.30 172.57 2whu s SER 92 N -0.74 2.00 -0.20 -2.12 1.04 -0.15 -0.88 113.70 112.65 2whu s SER 92 Ca -0.08 -0.75 0.01 0.00 0.48 0.00 0.00 55.95 55.62 2whu s SER 92 Cb -0.03 -0.07 0.03 0.00 0.10 0.00 0.00 66.02 66.05 2whu s SER 92 CO 0.05 -0.10 -0.15 -0.04 0.98 0.00 0.00 173.24 173.98 2whu s MET 93 N -2.34 2.55 -0.26 4.02 1.00 -0.61 -1.34 119.30 122.33 2whu s MET 93 Ca 0.06 -0.94 -0.00 0.00 0.00 0.00 0.00 55.69 54.80 2whu s MET 93 Cb -0.07 -2.58 0.04 0.00 0.00 0.00 0.00 34.83 32.22 2whu s MET 93 CO 0.03 -0.35 -0.07 -0.80 0.00 0.00 0.00 175.02 173.84 2whu s ASN 94 N 1.28 4.41 0.17 3.03 0.01 -0.22 -0.70 114.94 122.92 2whu s ASN 94 Ca 0.00 -1.09 -0.08 0.00 -0.71 0.00 0.00 52.86 50.99 2whu s ASN 94 Cb -0.15 -1.64 -0.06 0.00 0.41 0.00 0.00 41.25 39.81 2whu s ASN 94 CO -0.10 -0.17 0.46 -0.36 -1.51 0.00 0.00 177.10 175.43 2whu s PHE 95 N 1.25 3.47 0.24 2.20 0.08 -0.91 0.30 117.98 124.61 2whu s PHE 95 Ca -0.03 0.75 0.14 0.00 0.12 0.00 0.00 56.93 57.91 2whu s PHE 95 Cb -0.18 -2.15 0.78 0.00 -0.57 0.00 0.00 43.02 40.90 2whu s PHE 95 CO -0.04 0.37 1.35 1.05 -0.10 0.00 0.00 175.22 177.85 2whu h GLU 96 N 2.85 0.00 -0.23 0.44 4.11 -1.57 -1.66 114.58 118.52 2whu h GLU 96 Ca -0.47 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.94 2whu h GLU 96 Cb 1.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2whu h GLU 96 CO 0.70 0.00 -0.01 -0.40 0.07 0.00 0.00 179.01 179.37 2whu n ASP 97 N -2.23 3.43 0.00 3.06 5.75 -1.26 -4.96 116.55 120.34 2whu n ASP 97 Ca -0.01 -3.14 0.00 0.00 -0.01 0.00 0.00 54.79 51.63 2whu n ASP 97 Cb 0.43 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 2whu n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2whu n GLY 98 N -0.76 1.09 3.77 6.12 0.00 -0.62 -4.92 105.19 109.87 2whu n GLY 98 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 2whu n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2whu s ALA 99 N -3.67 3.30 0.07 4.61 0.00 -1.20 -4.82 121.76 120.05 2whu s ALA 99 Ca 0.00 1.02 0.01 0.00 0.00 0.00 0.00 51.96 52.99 2whu s ALA 99 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 2whu s ALA 99 CO 0.00 -0.46 -0.05 0.08 0.00 0.00 0.00 175.76 175.32 2whu s VAL 100 N -1.29 0.46 0.08 0.00 1.01 0.10 -2.14 120.40 118.63 2whu s VAL 100 Ca 0.52 -1.73 -0.02 0.00 0.00 0.00 0.00 61.98 60.76 2whu s VAL 100 Cb -0.33 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2whu s VAL 100 CO 0.42 -0.84 0.02 0.00 0.00 0.00 0.00 175.10 174.70 2whu s THR 102 N -3.96 0.11 -0.11 0.00 -4.23 0.12 -1.57 115.64 106.00 2whu s THR 102 Ca 0.12 -0.91 -0.10 0.00 -1.18 0.00 0.00 61.69 59.62 2whu s THR 102 Cb 0.08 -0.43 0.03 0.00 1.34 0.00 0.00 72.50 73.51 2whu s THR 102 CO -0.06 -0.50 0.30 -0.69 -0.54 0.00 0.00 174.62 173.12 2whu s VAL 103 N -1.67 0.00 0.19 2.29 1.01 -0.06 -0.72 120.40 121.44 2whu s VAL 103 Ca -0.14 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.86 2whu s VAL 103 Cb -0.08 -0.42 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 2whu s VAL 103 CO -0.01 -0.01 -0.01 -0.94 0.00 0.00 0.00 175.10 174.13 2whu s SER 104 N 0.12 1.53 -0.03 3.32 1.04 -0.92 -0.26 113.70 118.50 2whu s SER 104 Ca -0.00 -1.18 -0.16 0.00 0.48 0.00 0.00 55.95 55.09 2whu s SER 104 Cb -0.02 0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.19 2whu s SER 104 CO 0.00 -0.52 0.34 0.21 0.98 0.00 0.00 173.24 174.26 2whu s ASN 105 N -3.23 -0.25 -0.11 7.02 2.47 -0.71 -1.01 114.94 119.13 2whu s ASN 105 Ca 0.25 0.22 0.03 0.00 0.42 0.00 0.00 52.86 53.78 2whu s ASN 105 Cb 0.05 0.39 -0.00 0.00 -1.45 0.00 0.00 41.25 40.24 2whu s ASN 105 CO 0.06 -0.41 -0.21 -0.62 -3.72 0.00 0.00 177.10 172.19 2whu s ASP 106 N -1.10 3.29 -0.23 -4.21 -1.08 -0.39 -1.79 116.67 111.15 2whu s ASP 106 Ca -0.11 -0.52 0.02 0.00 -0.52 0.00 0.00 52.55 51.42 2whu s ASP 106 Cb -0.05 -1.46 0.05 0.00 -1.46 0.00 0.00 42.92 40.00 2whu s ASP 106 CO 0.04 0.15 -0.14 -0.44 0.52 0.00 0.00 175.17 175.31 2whu s SER 107 N 0.40 4.01 0.00 -0.34 0.01 0.42 -1.80 113.70 116.39 2whu s SER 107 Ca -0.16 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 55.95 2whu s SER 107 Cb -0.17 -1.51 0.00 0.00 0.21 0.00 0.00 66.02 64.55 2whu s SER 107 CO 0.07 -0.13 0.00 -1.54 0.41 0.00 0.00 173.24 172.05 2whu n SER 108 N 4.50 0.88 -3.53 2.44 3.41 -0.70 -0.99 113.62 119.62 2whu n SER 108 Ca -0.16 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.34 2whu n SER 108 Cb 0.45 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.36 2whu n SER 108 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2whu s ILE 109 N 0.83 0.03 -0.38 -1.33 2.07 -1.26 -0.29 121.20 120.87 2whu s ILE 109 Ca 0.00 -0.30 0.07 0.00 -1.41 0.00 0.00 60.65 59.01 2whu s ILE 109 Cb 0.00 -1.11 0.18 0.00 0.13 0.00 0.00 42.46 41.66 2whu s ILE 109 CO 0.00 -0.14 0.57 -1.58 -1.91 0.00 0.00 174.94 171.88 2whu s GLN 110 N -3.78 0.73 5.28 3.50 2.00 0.89 -4.89 119.66 123.39 2whu s GLN 110 Ca 0.02 -0.21 0.00 0.00 -2.00 0.00 0.00 55.36 53.18 2whu s GLN 110 Cb 0.00 -0.03 0.00 0.00 0.80 0.00 0.00 33.01 33.78 2whu s GLN 110 CO -0.12 -1.16 0.00 0.41 -0.50 0.00 0.00 175.29 173.92 2whu n GLY 111 N 4.60 1.86 1.63 2.59 0.00 -1.26 -1.71 105.19 112.91 2whu n GLY 111 Ca 0.09 0.40 0.02 0.00 0.00 0.00 0.00 46.02 46.53 2whu n GLY 111 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2whu n ASN 112 N 10.16 4.54 -3.86 1.61 4.13 -1.26 -4.89 115.26 125.68 2whu n ASN 112 Ca 0.00 -2.79 -0.19 0.00 1.68 0.00 0.00 54.58 53.28 2whu n ASN 112 Cb 0.00 -0.66 -0.16 0.00 -1.54 0.00 0.00 39.78 37.41 2whu n ASN 112 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2whu s PHE 114 N 1.04 3.47 -0.10 0.00 0.08 -0.67 -0.08 117.98 121.72 2whu s PHE 114 Ca -0.09 0.87 0.02 0.00 0.12 0.00 0.00 56.93 57.84 2whu s PHE 114 Cb -0.14 -2.29 0.01 0.00 -0.57 0.00 0.00 43.02 40.03 2whu s PHE 114 CO -0.01 0.03 -0.14 0.42 -0.10 0.00 0.00 175.22 175.42 2whu s ILE 115 N -2.22 1.42 -0.07 0.64 1.01 0.60 -1.60 121.20 120.98 2whu s ILE 115 Ca 0.48 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.56 2whu s ILE 115 Cb -0.10 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.06 2whu s ILE 115 CO 0.30 0.43 -0.18 -0.31 0.00 0.00 0.00 174.94 175.17 2whu s TYR 116 N 0.98 1.99 -0.20 3.97 2.02 0.03 -1.72 117.35 124.43 2whu s TYR 116 Ca -0.07 -0.74 0.01 0.00 -0.37 0.00 0.00 57.07 55.90 2whu s TYR 116 Cb -0.15 -1.37 0.03 0.00 -0.40 0.00 0.00 41.96 40.08 2whu s TYR 116 CO -0.01 -0.31 -0.16 1.21 -1.57 0.00 0.00 175.55 174.71 2whu s ASN 117 N 0.37 3.45 0.08 2.29 3.84 -0.74 0.01 114.94 124.24 2whu s ASN 117 Ca -0.14 -0.85 0.07 0.00 0.21 0.00 0.00 52.86 52.15 2whu s ASN 117 Cb -0.16 -1.44 -0.03 0.00 -0.55 0.00 0.00 41.25 39.08 2whu s ASN 117 CO 0.05 -0.07 -0.18 0.54 -2.79 0.00 0.00 177.10 174.65 2whu s VAL 118 N 1.28 1.47 0.03 -5.21 0.11 0.11 -1.26 120.40 116.94 2whu s VAL 118 Ca 0.01 -1.38 0.02 0.00 -2.93 0.00 0.00 61.98 57.70 2whu s VAL 118 Cb -0.15 -1.35 -0.02 0.00 -1.53 0.00 0.00 36.38 33.33 2whu s VAL 118 CO -0.10 -0.07 -0.07 -0.54 -3.33 0.00 0.00 175.10 170.98 2whu s LYS 119 N -1.70 0.50 -0.01 1.54 -0.14 -0.18 -2.69 119.74 117.05 2whu s LYS 119 Ca 0.04 -0.66 0.01 0.00 -1.36 0.00 0.00 55.97 53.99 2whu s LYS 119 Cb -0.10 -0.29 0.01 0.00 -1.68 0.00 0.00 37.83 35.78 2whu s LYS 119 CO 0.03 0.05 -0.01 -1.50 -0.76 0.00 0.00 175.35 173.17 2whu s ILE 120 N -1.19 0.16 -0.01 2.17 1.10 0.02 -2.15 121.20 121.30 2whu s ILE 120 Ca -0.08 0.00 0.03 0.00 -0.51 0.00 0.00 60.65 60.09 2whu s ILE 120 Cb -0.09 -0.20 -0.01 0.00 0.15 0.00 0.00 42.46 42.32 2whu s ILE 120 CO 0.00 0.09 -0.10 -0.55 -2.11 0.00 0.00 174.94 172.28 2whu s SER 121 N 0.47 1.15 -0.17 4.50 0.15 0.10 -0.62 113.70 119.28 2whu s SER 121 Ca -0.04 -0.18 -0.24 0.00 0.70 0.00 0.00 55.95 56.19 2whu s SER 121 Cb -0.07 -0.13 0.06 0.00 -1.71 0.00 0.00 66.02 64.17 2whu s SER 121 CO -0.01 0.12 0.62 -0.83 1.20 0.00 0.00 173.24 174.34 2whu s GLY 122 N -0.22 -0.47 0.23 9.45 0.00 -0.42 0.11 107.32 116.00 2whu s GLY 122 Ca 0.04 1.54 -0.22 0.00 0.00 0.00 0.00 44.72 46.07 2whu s GLY 122 CO -0.00 1.26 0.88 -1.83 0.00 0.00 0.00 173.10 173.41 2whu s GLU 123 N -0.20 1.54 0.00 2.90 -1.05 -0.32 -0.56 118.70 121.01 2whu s GLU 123 Ca -0.04 -0.90 0.00 0.00 -0.15 0.00 0.00 54.97 53.88 2whu s GLU 123 Cb -0.03 0.49 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 2whu s GLU 123 CO 0.04 -0.71 0.00 -1.71 0.95 0.00 0.00 175.26 173.82 2whu n ASN 124 N -0.73 -1.37 -4.64 0.83 5.15 -1.26 0.03 115.26 113.27 2whu n ASN 124 Ca -0.05 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.50 2whu n ASN 124 Cb 0.60 -0.49 -0.02 0.00 -0.53 0.00 0.00 39.78 39.34 2whu n ASN 124 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2whu s PHE 125 N -2.00 3.14 0.26 1.20 0.08 -1.26 -3.21 117.98 116.19 2whu s PHE 125 Ca 0.00 1.19 -0.30 0.00 0.12 0.00 0.00 56.93 57.94 2whu s PHE 125 Cb 0.00 -3.71 -0.10 0.00 -0.57 0.00 0.00 43.02 38.64 2whu s PHE 125 CO 0.00 -0.78 1.49 -2.14 -0.10 0.00 0.00 175.22 173.69 2whu s PRO 126 N 3.67 4.22 0.57 0.24 0.02 -1.26 -4.90 135.00 137.57 2whu s PRO 126 Ca 0.45 2.39 0.32 0.00 0.02 0.00 0.00 61.00 64.18 2whu s PRO 126 Cb -0.12 -3.08 1.76 0.00 0.02 0.00 0.00 34.50 33.07 2whu s PRO 126 CO 0.16 -0.49 2.18 -1.35 -0.33 0.00 0.00 177.00 177.17 2whu h PRO 127 N 5.02 0.00 -0.08 5.54 0.11 -1.98 0.55 132.00 141.16 2whu h PRO 127 Ca -0.46 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 2whu h PRO 127 Cb 1.22 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 2whu h PRO 127 CO 0.79 0.05 -0.52 0.09 -0.21 0.00 0.00 178.00 178.20 2whu n ASN 128 N -3.54 2.03 -4.41 -2.05 3.02 -1.26 -4.50 115.26 104.55 2whu n ASN 128 Ca -0.02 -3.89 -0.26 0.00 -0.03 0.00 0.00 54.58 50.37 2whu n ASN 128 Cb 0.16 -0.52 0.15 0.00 -0.61 0.00 0.00 39.78 38.97 2whu n ASN 128 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2whu s GLY 129 N -3.26 1.77 0.40 7.41 0.00 0.19 -4.89 107.32 108.96 2whu s GLY 129 Ca 0.39 -1.60 0.27 0.00 0.00 0.00 0.00 44.72 43.78 2whu s GLY 129 CO -0.06 -0.92 1.76 -0.56 0.00 0.00 0.00 173.10 173.32 2whu h PRO 130 N -1.02 0.00 -0.02 2.90 0.13 -1.95 0.78 132.00 132.81 2whu h PRO 130 Ca -0.39 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.67 2whu h PRO 130 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2whu h PRO 130 CO 0.37 0.00 -0.25 0.28 -0.23 0.00 0.00 178.00 178.17 2whu h VAL 131 N 0.00 1.50 0.00 1.56 2.07 -1.95 -0.57 116.25 118.86 2whu h VAL 131 Ca 0.00 -1.82 -0.05 0.00 0.82 0.00 0.00 66.70 65.65 2whu h VAL 131 Cb 0.73 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 33.09 2whu h VAL 131 CO 0.00 0.50 -0.24 0.24 0.02 0.00 0.00 177.57 178.09 2whu h MET 132 N -0.40 0.00 -0.01 1.57 2.86 -1.75 -2.06 114.93 115.14 2whu h MET 132 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2whu h MET 132 Cb 0.96 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.62 2whu h MET 132 CO 0.05 0.24 -0.11 1.04 1.06 0.00 0.00 176.91 179.19 2whu n GLN 133 N -3.28 1.10 -3.46 1.72 1.13 0.26 -4.76 117.38 110.08 2whu n GLN 133 Ca 0.01 -0.55 -0.18 0.00 -1.94 0.00 0.00 57.00 54.34 2whu n GLN 133 Cb 0.51 -1.49 0.08 0.00 0.11 0.00 0.00 30.24 29.45 2whu n GLN 133 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2whu n LYS 134 N -0.47 -5.78 -0.23 -1.09 5.02 -0.30 -4.91 118.16 110.39 2whu n LYS 134 Ca 0.16 0.81 0.08 0.00 -2.02 0.00 0.00 58.31 57.33 2whu n LYS 134 Cb 0.31 -5.72 0.17 0.00 -0.02 0.00 0.00 35.03 29.78 2whu n LYS 134 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2whu n LYS 135 N -4.06 2.33 -2.59 1.97 4.76 -0.70 -5.02 118.16 114.85 2whu n LYS 135 Ca -0.27 -2.50 -0.22 0.00 -2.87 0.00 0.00 58.31 52.46 2whu n LYS 135 Cb 0.67 -1.55 0.04 0.00 -1.84 0.00 0.00 35.03 32.34 2whu n LYS 135 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2whu s THR 136 N -2.42 2.73 -0.05 -0.18 -4.23 -1.26 -1.76 115.64 108.47 2whu s THR 136 Ca 0.31 -0.58 0.16 0.00 -1.18 0.00 0.00 61.69 60.40 2whu s THR 136 Cb 0.25 -3.05 0.29 0.00 1.34 0.00 0.00 72.50 71.34 2whu s THR 136 CO 0.07 -0.03 1.13 0.00 -0.54 0.00 0.00 174.62 175.24 2whu n GLN 137 N -2.42 0.27 0.00 3.99 6.02 -0.22 -4.83 117.38 120.19 2whu n GLN 137 Ca 0.07 -1.76 0.00 0.00 -0.01 0.00 0.00 57.00 55.31 2whu n GLN 137 Cb 0.60 0.04 0.00 0.00 1.02 0.00 0.00 30.24 31.89 2whu n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2whu n GLY 138 N 0.07 1.24 3.90 1.08 0.00 -1.26 -4.71 105.19 105.52 2whu n GLY 138 Ca -0.07 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.56 2whu n GLY 138 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2whu s TRP 139 N -1.75 3.55 0.22 1.61 0.52 -1.26 -0.48 118.94 121.35 2whu s TRP 139 Ca 0.00 0.39 -0.30 0.00 0.02 0.00 0.00 56.10 56.21 2whu s TRP 139 Cb 0.00 -1.86 -0.08 0.00 -1.15 0.00 0.00 33.47 30.38 2whu s TRP 139 CO 0.00 0.62 0.96 -1.21 0.02 0.00 0.00 176.95 177.34 2whu s GLU 140 N -2.02 4.82 0.30 4.98 0.41 -0.29 -4.80 118.70 122.10 2whu s GLU 140 Ca 0.29 1.51 -0.20 0.00 -0.41 0.00 0.00 54.97 56.15 2whu s GLU 140 Cb -0.13 -3.29 -0.14 0.00 -1.78 0.00 0.00 34.13 28.79 2whu s GLU 140 CO 0.20 0.45 0.19 -0.35 -0.49 0.00 0.00 175.26 175.26 2whu n PRO 141 N 1.69 0.00 -1.75 0.39 -0.04 -1.26 -4.71 135.00 129.33 2whu n PRO 141 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2whu n PRO 141 Cb 0.47 -0.87 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 2whu n PRO 141 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2whu n SER 142 N 1.95 0.00 -3.61 3.54 3.41 0.10 -4.96 113.62 114.05 2whu n SER 142 Ca 0.12 -0.92 -0.13 0.00 -0.26 0.00 0.00 58.87 57.68 2whu n SER 142 Cb 0.31 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.14 2whu n SER 142 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2whu s THR 143 N -2.02 -0.47 -0.20 6.66 2.01 -1.26 -1.39 115.64 118.98 2whu s THR 143 Ca 0.00 0.18 -0.16 0.00 0.31 0.00 0.00 61.69 62.03 2whu s THR 143 Cb 0.00 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 2whu s THR 143 CO 0.00 0.05 0.38 -0.70 -0.69 0.00 0.00 174.62 173.66 2whu s GLU 144 N 2.46 4.18 -0.44 4.92 2.12 -0.38 -4.53 118.70 127.03 2whu s GLU 144 Ca 0.02 0.18 -0.20 0.00 0.36 0.00 0.00 54.97 55.34 2whu s GLU 144 Cb -0.13 -3.53 0.02 0.00 0.26 0.00 0.00 34.13 30.76 2whu s GLU 144 CO -0.10 -0.01 0.61 1.03 -0.54 0.00 0.00 175.26 176.24 2whu s ARG 145 N 1.24 3.25 0.02 4.30 0.52 0.41 -0.94 118.95 127.73 2whu s ARG 145 Ca 0.19 -0.44 0.05 0.00 -0.52 0.00 0.00 55.73 55.01 2whu s ARG 145 Cb -0.15 -3.95 -0.03 0.00 0.52 0.00 0.00 34.95 31.34 2whu s ARG 145 CO 0.08 -0.99 -0.12 -0.51 0.02 0.00 0.00 175.30 173.77 2whu s LEU 146 N 2.71 2.88 -0.01 2.53 1.02 0.68 -1.81 118.68 126.68 2whu s LEU 146 Ca 0.21 -0.28 -0.08 0.00 0.02 0.00 0.00 54.13 54.00 2whu s LEU 146 Cb -0.15 -1.66 0.01 0.00 0.02 0.00 0.00 46.19 44.41 2whu s LEU 146 CO 0.18 0.27 0.17 0.72 0.02 0.00 0.00 176.35 177.71 2whu s PHE 147 N -0.94 -0.01 0.45 0.29 -0.12 -0.18 -1.91 117.98 115.56 2whu s PHE 147 Ca 0.16 -0.02 -0.23 0.00 -0.05 0.00 0.00 56.93 56.79 2whu s PHE 147 Cb -0.11 -0.02 -0.08 0.00 -0.63 0.00 0.00 43.02 42.19 2whu s PHE 147 CO 0.06 -0.29 1.11 0.00 -0.05 0.00 0.00 175.22 176.05 2whu s ALA 148 N -1.25 2.97 -0.30 1.99 0.00 -1.26 0.68 121.76 124.59 2whu s ALA 148 Ca -0.13 0.81 -0.06 0.00 0.00 0.00 0.00 51.96 52.58 2whu s ALA 148 Cb -0.07 -3.33 0.18 0.00 0.00 0.00 0.00 23.12 19.90 2whu s ALA 148 CO 0.02 -0.49 0.76 0.50 0.00 0.00 0.00 175.76 176.55 2whu s ARG 149 N -2.75 0.44 -1.53 0.00 3.52 -0.58 -4.85 118.95 113.20 2whu s ARG 149 Ca 0.63 0.81 -0.14 0.00 -0.13 0.00 0.00 55.73 56.90 2whu s ARG 149 Cb -0.25 0.46 0.09 0.00 -1.56 0.00 0.00 34.95 33.69 2whu s ARG 149 CO 0.30 -0.44 0.90 -0.25 -0.81 0.00 0.00 175.30 175.00 2whu n ASP 150 N 5.42 -4.65 0.00 -2.12 8.00 -1.26 -1.24 116.55 120.70 2whu n ASP 150 Ca -0.04 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.72 2whu n ASP 150 Cb 0.52 -3.73 0.00 0.00 -0.02 0.00 0.00 41.12 37.89 2whu n ASP 150 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2whu n GLY 151 N -1.60 2.20 3.92 0.44 0.00 -1.26 -4.99 105.19 103.88 2whu n GLY 151 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 2whu n GLY 151 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2whu s MET 152 N -0.03 2.34 -0.12 1.61 -1.94 -0.37 -4.59 119.30 116.20 2whu s MET 152 Ca 0.00 -0.05 -0.00 0.00 -1.71 0.00 0.00 55.69 53.93 2whu s MET 152 Cb 0.00 -2.12 -0.02 0.00 2.01 0.00 0.00 34.83 34.70 2whu s MET 152 CO 0.00 -1.21 -0.11 -1.17 -0.01 0.00 0.00 175.02 172.52 2whu s LEU 153 N -5.29 2.85 -0.03 -0.03 2.96 -0.44 -1.52 118.68 117.18 2whu s LEU 153 Ca 0.59 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 54.23 2whu s LEU 153 Cb -0.11 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 2whu s LEU 153 CO 0.47 0.21 0.11 -0.63 -1.32 0.00 0.00 176.35 175.18 2whu s ILE 154 N 0.11 4.97 -0.02 6.68 -1.09 0.22 -1.27 121.20 130.79 2whu s ILE 154 Ca -0.05 -0.25 0.02 0.00 -2.23 0.00 0.00 60.65 58.14 2whu s ILE 154 Cb -0.14 -3.26 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 2whu s ILE 154 CO 0.04 0.40 -0.09 -0.83 -1.23 0.00 0.00 174.94 173.23 2whu s GLY 155 N -1.62 0.51 -0.09 6.18 0.00 0.55 -1.01 107.32 111.84 2whu s GLY 155 Ca 0.22 -0.33 -0.05 0.00 0.00 0.00 0.00 44.72 44.56 2whu s GLY 155 CO 0.13 -0.11 0.21 -1.31 0.00 0.00 0.00 173.10 172.02 2whu s ASN 156 N 0.15 -0.21 -0.16 1.64 0.01 -0.75 -1.52 114.94 114.10 2whu s ASN 156 Ca -0.02 0.44 -0.08 0.00 -0.71 0.00 0.00 52.86 52.49 2whu s ASN 156 Cb -0.08 0.35 0.07 0.00 0.41 0.00 0.00 41.25 42.00 2whu s ASN 156 CO 0.00 -0.14 0.38 -0.62 -1.51 0.00 0.00 177.10 175.21 2whu s ASP 157 N 0.98 -0.32 -0.54 -1.22 -1.08 -0.87 -0.45 116.67 113.17 2whu s ASP 157 Ca -0.07 0.84 -0.19 0.00 -0.52 0.00 0.00 52.55 52.61 2whu s ASP 157 Cb -0.09 0.86 0.08 0.00 -1.46 0.00 0.00 42.92 42.31 2whu s ASP 157 CO -0.06 -0.20 0.66 -0.31 0.52 0.00 0.00 175.17 175.77 2whu s TYR 158 N 1.80 3.03 0.10 -5.34 2.02 -1.26 -1.38 117.35 116.32 2whu s TYR 158 Ca -0.06 -0.73 -0.03 0.00 -0.37 0.00 0.00 57.07 55.87 2whu s TYR 158 Cb -0.10 -3.74 -0.05 0.00 -0.40 0.00 0.00 41.96 37.67 2whu s TYR 158 CO -0.12 -1.15 0.31 -1.64 -1.57 0.00 0.00 175.55 171.39 2whu s MET 159 N 2.64 3.56 -0.02 -0.62 -1.94 -0.52 -4.87 119.30 117.53 2whu s MET 159 Ca 0.13 -0.20 0.03 0.00 -1.71 0.00 0.00 55.69 53.94 2whu s MET 159 Cb -0.21 -2.93 -0.00 0.00 2.01 0.00 0.00 34.83 33.69 2whu s MET 159 CO 0.09 0.53 -0.09 0.00 -0.01 0.00 0.00 175.02 175.54 2whu s ALA 160 N -1.58 0.79 -0.21 3.03 0.00 -1.26 -2.18 121.76 120.35 2whu s ALA 160 Ca 0.38 -0.34 -0.06 0.00 0.00 0.00 0.00 51.96 51.94 2whu s ALA 160 Cb -0.13 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 2whu s ALA 160 CO 0.25 0.15 0.02 -0.51 0.00 0.00 0.00 175.76 175.67 2whu s LEU 161 N 0.03 3.31 0.41 0.00 1.43 -0.86 -1.13 118.68 121.87 2whu s LEU 161 Ca -0.00 -0.20 -0.26 0.00 -1.03 0.00 0.00 54.13 52.64 2whu s LEU 161 Cb -0.06 -1.85 -0.09 0.00 0.03 0.00 0.00 46.19 44.22 2whu s LEU 161 CO 0.00 0.05 1.31 -0.54 0.23 0.00 0.00 176.35 177.40 2whu s LYS 162 N 1.11 3.92 0.24 1.70 1.02 0.37 -0.28 119.74 127.82 2whu s LYS 162 Ca 0.03 2.17 0.09 0.00 0.02 0.00 0.00 55.97 58.28 2whu s LYS 162 Cb -0.14 -2.73 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 2whu s LYS 162 CO 0.02 -0.54 0.02 -0.51 -0.92 0.00 0.00 175.35 173.42 2whu s LEU 163 N -2.49 3.30 0.13 3.17 1.43 -1.16 -1.06 118.68 122.01 2whu s LEU 163 Ca 0.58 -0.52 -0.32 0.00 -1.03 0.00 0.00 54.13 52.83 2whu s LEU 163 Cb -0.38 -1.87 -0.12 0.00 0.03 0.00 0.00 46.19 43.85 2whu s LEU 163 CO 0.49 0.02 1.78 1.21 0.23 0.00 0.00 176.35 180.08 2whu n GLU 164 N -0.69 2.64 -0.36 1.70 2.13 -0.72 -1.77 120.64 123.58 2whu n GLU 164 Ca -0.08 0.96 0.00 0.00 0.66 0.00 0.00 57.16 58.70 2whu n GLU 164 Cb 0.58 -2.82 0.00 0.00 0.27 0.00 0.00 31.44 29.47 2whu n GLU 164 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2whu n GLY 165 N 4.06 0.83 0.00 8.31 0.00 -1.26 -4.52 105.19 112.60 2whu n GLY 165 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2whu n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2whu n GLY 166 N -2.00 0.75 0.00 -0.02 0.00 -0.73 -5.08 105.19 98.12 2whu n GLY 166 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2whu n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2whu n GLY 167 N -1.91 -2.51 3.40 -0.02 0.00 -1.26 -4.79 105.19 98.09 2whu n GLY 167 Ca 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.04 2whu n GLY 167 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2whu s HIS 168 N -0.57 -0.48 -0.31 1.61 3.76 -1.26 -2.98 115.29 115.05 2whu s HIS 168 Ca 0.00 0.97 0.00 0.00 -0.15 0.00 0.00 55.06 55.89 2whu s HIS 168 Cb 0.00 0.23 0.10 0.00 1.11 0.00 0.00 32.58 34.02 2whu s HIS 168 CO 0.00 -0.41 0.08 -0.47 -0.85 0.00 0.00 174.74 173.09 2whu s TYR 169 N -0.66 2.15 0.68 1.40 5.04 0.61 -4.93 117.35 121.64 2whu s TYR 169 Ca -0.08 -1.99 -0.11 0.00 -2.44 0.00 0.00 57.07 52.45 2whu s TYR 169 Cb -0.03 -1.96 -0.00 0.00 0.35 0.00 0.00 41.96 40.32 2whu s TYR 169 CO 0.05 -0.89 1.08 -0.51 -1.34 0.00 0.00 175.55 173.94 2whu s LEU 170 N 1.46 3.00 -0.30 6.97 1.43 -1.26 -2.03 118.68 127.96 2whu s LEU 170 Ca 0.09 1.23 -0.15 0.00 -1.03 0.00 0.00 54.13 54.28 2whu s LEU 170 Cb -0.18 -4.11 0.16 0.00 0.03 0.00 0.00 46.19 42.10 2whu s LEU 170 CO -0.21 -1.20 0.98 0.00 0.23 0.00 0.00 176.35 176.15 2whu s GLU 172 N 2.43 4.48 -0.21 0.00 2.12 0.15 -1.44 118.70 126.23 2whu s GLU 172 Ca -0.03 1.03 -0.05 0.00 0.36 0.00 0.00 54.97 56.28 2whu s GLU 172 Cb -0.06 -3.36 -0.02 0.00 0.26 0.00 0.00 34.13 30.95 2whu s GLU 172 CO -0.17 0.30 0.00 -0.06 -0.54 0.00 0.00 175.26 174.79 2whu s PHE 173 N -0.11 3.03 -0.08 5.30 0.40 -0.48 -1.05 117.98 124.99 2whu s PHE 173 Ca 0.38 -0.51 0.03 0.00 -0.60 0.00 0.00 56.93 56.23 2whu s PHE 173 Cb -0.20 -2.10 0.01 0.00 0.51 0.00 0.00 43.02 41.24 2whu s PHE 173 CO 0.22 -0.28 -0.17 0.15 0.70 0.00 0.00 175.22 175.84 2whu s LYS 174 N 1.11 2.24 0.00 0.44 1.02 -0.45 -2.04 119.74 122.06 2whu s LYS 174 Ca 0.02 -0.60 -0.02 0.00 0.02 0.00 0.00 55.97 55.40 2whu s LYS 174 Cb -0.14 -1.77 -0.01 0.00 -0.52 0.00 0.00 37.83 35.39 2whu s LYS 174 CO 0.01 0.08 0.03 -1.12 -0.92 0.00 0.00 175.35 173.43 2whu s SER 175 N 0.57 0.08 -0.09 2.83 0.01 -0.57 -0.98 113.70 115.54 2whu s SER 175 Ca -0.16 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2whu s SER 175 Cb -0.17 0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.20 2whu s SER 175 CO 0.05 -0.18 -0.07 -0.89 0.41 0.00 0.00 173.24 172.56 2whu s THR 176 N -0.77 0.95 -0.10 1.44 2.01 -0.48 -0.33 115.64 118.35 2whu s THR 176 Ca -0.08 -0.27 -0.03 0.00 0.31 0.00 0.00 61.69 61.62 2whu s THR 176 Cb -0.05 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 2whu s THR 176 CO -0.00 0.34 0.01 -0.31 -0.69 0.00 0.00 174.62 173.97 2whu s TYR 177 N 1.48 3.18 -0.08 4.92 2.02 -0.40 -1.83 117.35 126.64 2whu s TYR 177 Ca 0.00 0.16 -0.01 0.00 -0.37 0.00 0.00 57.07 56.85 2whu s TYR 177 Cb -0.13 -1.83 0.03 0.00 -0.40 0.00 0.00 41.96 39.63 2whu s TYR 177 CO -0.05 0.42 0.01 0.21 -1.57 0.00 0.00 175.55 174.56 2whu s LYS 178 N -0.69 0.58 0.54 -0.62 2.20 0.13 -1.32 119.74 120.55 2whu s LYS 178 Ca 0.11 0.10 -0.20 0.00 -0.36 0.00 0.00 55.97 55.62 2whu s LYS 178 Cb -0.12 -1.01 -0.06 0.00 -1.51 0.00 0.00 37.83 35.14 2whu s LYS 178 CO 0.02 -0.32 1.14 0.00 -0.36 0.00 0.00 175.35 175.83 2whu s ALA 179 N 1.98 2.71 0.04 3.13 0.00 -1.26 -0.88 121.76 127.48 2whu s ALA 179 Ca 0.05 0.85 0.10 0.00 0.00 0.00 0.00 51.96 52.96 2whu s ALA 179 Cb -0.12 -3.37 -0.21 0.00 0.00 0.00 0.00 23.12 19.42 2whu s ALA 179 CO -0.05 -0.79 1.04 0.87 0.00 0.00 0.00 175.76 176.83 2whu h LYS 180 N 1.26 0.00 -6.69 0.00 1.57 -0.96 -3.45 116.57 108.29 2whu h LYS 180 Ca -0.50 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.61 2whu h LYS 180 Cb 1.26 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.39 2whu h LYS 180 CO 0.57 0.77 -0.80 -1.59 -0.57 0.00 0.00 179.45 177.83 2whu s LYS 181 N -2.68 1.73 0.57 3.15 -2.85 -1.26 -5.06 119.74 113.34 2whu s LYS 181 Ca -0.01 -1.27 -0.18 0.00 -1.00 0.00 0.00 55.97 53.51 2whu s LYS 181 Cb 0.09 -2.05 -0.05 0.00 -2.06 0.00 0.00 37.83 33.76 2whu s LYS 181 CO 0.82 0.46 1.10 -2.14 0.10 0.00 0.00 175.35 175.69 2whu s PRO 182 N -2.31 3.31 0.22 1.78 0.02 -1.26 -4.88 135.00 131.87 2whu s PRO 182 Ca 0.19 1.46 -0.12 0.00 0.02 0.00 0.00 61.00 62.55 2whu s PRO 182 Cb -0.10 -2.01 -0.00 0.00 0.02 0.00 0.00 34.50 32.41 2whu s PRO 182 CO 0.10 -0.86 0.43 0.14 -0.33 0.00 0.00 177.00 176.49 2whu s VAL 183 N -2.03 0.02 -0.35 3.83 -7.23 -1.26 -5.04 120.40 108.34 2whu s VAL 183 Ca 0.69 -1.31 -0.29 0.00 -1.81 0.00 0.00 61.98 59.26 2whu s VAL 183 Cb -0.21 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.72 2whu s VAL 183 CO 0.30 -0.09 1.36 -0.13 -0.31 0.00 0.00 175.10 176.23 2whu s ARG 184 N -3.98 3.76 0.50 4.82 0.52 -1.26 -4.99 118.95 118.31 2whu s ARG 184 Ca 0.19 1.11 -0.23 0.00 -0.52 0.00 0.00 55.73 56.28 2whu s ARG 184 Cb 0.00 -3.95 -0.06 0.00 0.52 0.00 0.00 34.95 31.46 2whu s ARG 184 CO 0.05 -1.33 1.36 -1.64 0.02 0.00 0.00 175.30 173.76 2whu s MET 185 N 4.53 3.40 0.70 3.54 -1.94 -1.26 -4.55 119.30 123.72 2whu s MET 185 Ca 0.59 2.25 -0.08 0.00 -1.71 0.00 0.00 55.69 56.73 2whu s MET 185 Cb -0.15 -2.42 0.15 0.00 2.01 0.00 0.00 34.83 34.42 2whu s MET 185 CO 0.28 -0.98 0.96 -0.35 -0.01 0.00 0.00 175.02 174.91 2whu n PRO 186 N -0.66 -0.64 -3.67 2.03 -0.04 -1.26 -4.73 135.00 126.03 2whu n PRO 186 Ca 0.08 -1.82 -0.22 0.00 -0.04 0.00 0.00 63.50 61.51 2whu n PRO 186 Cb 0.44 -0.88 -0.03 0.00 -0.04 0.00 0.00 33.50 32.99 2whu n PRO 186 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2whu s GLY 187 N -5.02 2.19 0.00 0.55 0.00 -1.26 -4.52 107.32 99.25 2whu s GLY 187 Ca 0.57 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 43.41 2whu s GLY 187 CO 0.39 -1.75 0.00 0.54 0.00 0.00 0.00 173.10 172.28 2whu n ARG 188 N -1.53 0.00 -3.86 2.90 1.74 -1.26 -4.88 116.66 109.78 2whu n ARG 188 Ca 0.03 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.07 2whu n ARG 188 Cb 0.62 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.08 2whu n ARG 188 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2whu s HIS 189 N 0.00 0.06 0.02 -1.55 -3.43 -0.80 -3.84 115.29 105.74 2whu s HIS 189 Ca 0.00 -0.48 -0.01 0.00 -0.80 0.00 0.00 55.06 53.77 2whu s HIS 189 Cb 0.00 0.71 -0.02 0.00 -1.43 0.00 0.00 32.58 31.84 2whu s HIS 189 CO 0.00 -0.98 0.00 -1.21 -2.00 0.00 0.00 174.74 170.55 2whu s GLU 190 N -2.30 0.40 -0.16 -0.38 2.02 -0.90 -0.23 118.70 117.15 2whu s GLU 190 Ca 0.20 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.53 2whu s GLU 190 Cb -0.03 0.15 0.02 0.00 0.10 0.00 0.00 34.13 34.37 2whu s GLU 190 CO 0.06 -0.07 -0.19 0.42 0.02 0.00 0.00 175.26 175.49 2whu s ILE 191 N -1.88 1.92 -0.09 -1.63 1.01 -0.12 -2.27 121.20 118.14 2whu s ILE 191 Ca -0.12 -0.87 -0.20 0.00 0.00 0.00 0.00 60.65 59.47 2whu s ILE 191 Cb -0.07 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 2whu s ILE 191 CO -0.02 0.52 0.55 -1.81 0.00 0.00 0.00 174.94 174.17 2whu s ASP 192 N 1.17 6.80 0.02 3.58 1.01 0.27 -1.25 116.67 128.27 2whu s ASP 192 Ca 0.01 0.95 0.02 0.00 0.71 0.00 0.00 52.55 54.24 2whu s ASP 192 Cb -0.14 -2.33 -0.01 0.00 1.01 0.00 0.00 42.92 41.45 2whu s ASP 192 CO -0.09 -0.01 -0.07 -0.13 0.21 0.00 0.00 175.17 175.08 2whu s ARG 193 N 0.56 0.52 0.08 8.23 0.52 -0.48 -0.79 118.95 127.58 2whu s ARG 193 Ca 0.30 -0.47 0.08 0.00 -0.52 0.00 0.00 55.73 55.12 2whu s ARG 193 Cb -0.16 -0.42 -0.03 0.00 0.52 0.00 0.00 34.95 34.86 2whu s ARG 193 CO 0.13 0.10 -0.21 0.21 0.02 0.00 0.00 175.30 175.55 2whu s LYS 194 N -0.80 1.23 -0.25 3.54 2.20 -0.81 0.01 119.74 124.87 2whu s LYS 194 Ca -0.03 -1.08 -0.13 0.00 -0.36 0.00 0.00 55.97 54.38 2whu s LYS 194 Cb -0.06 -1.45 0.08 0.00 -1.51 0.00 0.00 37.83 34.90 2whu s LYS 194 CO 0.00 0.35 0.60 -1.17 -0.36 0.00 0.00 175.35 174.77 2whu s LEU 195 N -1.62 -0.75 -0.01 5.43 2.96 -1.26 -1.64 118.68 121.79 2whu s LEU 195 Ca 0.07 1.34 -0.03 0.00 -0.22 0.00 0.00 54.13 55.29 2whu s LEU 195 Cb -0.10 2.06 -0.00 0.00 0.50 0.00 0.00 46.19 48.65 2whu s LEU 195 CO 0.03 -0.23 0.06 -1.81 -1.32 0.00 0.00 176.35 173.09 2whu s ASP 196 N 1.82 0.05 -0.53 3.68 1.01 -0.64 -4.44 116.67 117.63 2whu s ASP 196 Ca -0.09 -0.14 -0.26 0.00 0.71 0.00 0.00 52.55 52.77 2whu s ASP 196 Cb -0.07 0.15 0.03 0.00 1.01 0.00 0.00 42.92 44.04 2whu s ASP 196 CO -0.18 -0.20 1.00 -0.69 0.21 0.00 0.00 175.17 175.31 2whu s VAL 197 N -0.80 4.32 -0.10 -1.27 1.01 -1.26 -1.38 120.40 120.93 2whu s VAL 197 Ca -0.09 0.60 0.15 0.00 0.00 0.00 0.00 61.98 62.64 2whu s VAL 197 Cb -0.05 -4.55 -0.11 0.00 0.00 0.00 0.00 36.38 31.66 2whu s VAL 197 CO 0.00 -1.07 0.98 0.71 0.00 0.00 0.00 175.10 175.72 2whu h THR 198 N 6.08 0.74 -2.47 3.92 1.35 -1.83 -3.48 112.91 117.22 2whu h THR 198 Ca -0.25 -2.27 0.07 0.00 -0.55 0.00 0.00 66.41 63.42 2whu h THR 198 Cb 1.07 2.24 -0.14 0.00 -1.73 0.00 0.00 68.15 69.59 2whu h THR 198 CO 1.09 0.42 0.42 -0.94 -0.25 0.00 0.00 175.52 176.26 2whu s SER 199 N -6.06 -0.42 -0.25 5.36 1.04 -1.18 -5.01 113.70 107.18 2whu s SER 199 Ca -0.01 0.01 -0.26 0.00 0.48 0.00 0.00 55.95 56.16 2whu s SER 199 Cb 0.08 0.44 0.10 0.00 0.10 0.00 0.00 66.02 66.75 2whu s SER 199 CO 0.80 -0.71 0.91 -1.38 0.98 0.00 0.00 173.24 173.84 2whu s HIS 200 N -3.27 -0.57 1.33 5.02 -3.43 -1.26 -0.12 115.29 112.99 2whu s HIS 200 Ca 0.04 1.33 -0.20 0.00 -0.80 0.00 0.00 55.06 55.43 2whu s HIS 200 Cb -0.01 0.35 0.34 0.00 -1.43 0.00 0.00 32.58 31.82 2whu s HIS 200 CO -0.10 -0.31 0.97 0.54 -2.00 0.00 0.00 174.74 173.84 2whu s ASN 201 N 0.04 -0.33 0.23 7.38 4.22 -0.72 -4.88 114.94 120.88 2whu s ASN 201 Ca 0.01 1.01 -0.01 0.00 -2.14 0.00 0.00 52.86 51.73 2whu s ASN 201 Cb -0.04 -1.49 0.24 0.00 1.28 0.00 0.00 41.25 41.24 2whu s ASN 201 CO -0.02 -4.94 1.61 -0.09 -2.04 0.00 0.00 177.10 171.62 2whu h ARG 202 N -3.13 0.55 -0.83 3.55 2.43 -2.02 -1.91 114.38 113.02 2whu h ARG 202 Ca -0.49 -0.27 -0.31 0.00 -0.81 0.00 0.00 59.98 58.10 2whu h ARG 202 Cb 1.34 -0.00 -0.19 0.00 -0.42 0.00 0.00 29.97 30.70 2whu h ARG 202 CO 0.36 0.85 0.39 -0.40 -1.51 0.00 0.00 179.97 179.65 2whu n ASP 203 N -4.04 4.53 -2.73 -3.80 5.68 -1.26 -4.93 116.55 110.00 2whu n ASP 203 Ca -0.01 -3.35 -0.11 0.00 -0.50 0.00 0.00 54.79 50.81 2whu n ASP 203 Cb 0.50 -0.78 -0.01 0.00 -1.14 0.00 0.00 41.12 39.70 2whu n ASP 203 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 2whu n TYR 204 N -0.45 -1.68 0.65 2.11 4.02 -0.72 -4.52 117.16 116.57 2whu n TYR 204 Ca 0.47 0.12 0.13 0.00 -0.01 0.00 0.00 57.90 58.61 2whu n TYR 204 Cb 1.49 -2.15 0.40 0.00 -0.02 0.00 0.00 39.34 39.06 2whu n TYR 204 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2whu n THR 205 N -3.21 0.53 -4.68 -0.72 -2.24 -1.26 -4.79 114.28 97.91 2whu n THR 205 Ca -0.06 -0.26 -0.28 0.00 -2.27 0.00 0.00 64.05 61.18 2whu n THR 205 Cb 0.55 -0.54 -0.14 0.00 -2.10 0.00 0.00 70.33 68.10 2whu n THR 205 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2whu s SER 206 N -4.38 2.88 -0.12 3.42 0.01 -1.26 -1.79 113.70 112.46 2whu s SER 206 Ca 0.11 -0.60 -0.30 0.00 1.31 0.00 0.00 55.95 56.47 2whu s SER 206 Cb 0.13 -0.23 0.09 0.00 0.21 0.00 0.00 66.02 66.22 2whu s SER 206 CO 0.60 0.19 0.82 -0.69 0.41 0.00 0.00 173.24 174.57 2whu s VAL 207 N -0.87 0.00 0.04 3.43 1.01 -1.05 -1.75 120.40 121.20 2whu s VAL 207 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.04 2whu s VAL 207 Cb -0.10 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 2whu s VAL 207 CO 0.03 0.00 0.07 -1.61 0.00 0.00 0.00 175.10 173.59 2whu s GLU 208 N -0.94 0.58 0.12 2.72 2.02 0.83 -0.32 118.70 123.71 2whu s GLU 208 Ca -0.06 -0.82 -0.10 0.00 0.02 0.00 0.00 54.97 54.01 2whu s GLU 208 Cb -0.01 0.22 0.00 0.00 0.10 0.00 0.00 34.13 34.44 2whu s GLU 208 CO 0.05 -0.14 0.25 -0.65 0.02 0.00 0.00 175.26 174.80 2whu s GLN 209 N -2.76 0.99 0.03 1.61 -0.21 -0.95 -2.52 119.66 115.85 2whu s GLN 209 Ca -0.04 -0.99 0.01 0.00 0.02 0.00 0.00 55.36 54.36 2whu s GLN 209 Cb -0.00 0.37 -0.02 0.00 1.00 0.00 0.00 33.01 34.36 2whu s GLN 209 CO -0.05 -0.34 -0.06 0.00 -2.12 0.00 0.00 175.29 172.71 2whu s GLU 211 N -1.37 0.05 0.08 0.00 2.12 0.17 -1.61 118.70 118.14 2whu s GLU 211 Ca -0.10 -0.00 0.09 0.00 0.36 0.00 0.00 54.97 55.31 2whu s GLU 211 Cb -0.09 -0.08 -0.03 0.00 0.26 0.00 0.00 34.13 34.19 2whu s GLU 211 CO -0.00 -0.00 -0.23 -1.50 -0.54 0.00 0.00 175.26 172.99 2whu s ILE 212 N 0.10 2.46 -0.26 -3.70 -1.16 -0.65 -2.00 121.20 115.98 2whu s ILE 212 Ca -0.01 -1.45 -0.09 0.00 -0.51 0.00 0.00 60.65 58.59 2whu s ILE 212 Cb -0.02 -2.04 0.11 0.00 0.61 0.00 0.00 42.46 41.13 2whu s ILE 212 CO -0.00 0.24 0.56 0.00 -2.81 0.00 0.00 174.94 172.93 2whu s ALA 213 N -0.96 -1.71 -0.01 1.50 0.00 -0.52 -1.92 121.76 118.15 2whu s ALA 213 Ca 0.14 2.03 0.02 0.00 0.00 0.00 0.00 51.96 54.15 2whu s ALA 213 Cb -0.10 -1.60 -0.00 0.00 0.00 0.00 0.00 23.12 21.41 2whu s ALA 213 CO 0.05 -0.85 -0.05 0.42 0.00 0.00 0.00 175.76 175.33 2whu s ILE 214 N 2.77 0.41 0.26 0.00 1.01 0.03 -0.80 121.20 124.88 2whu s ILE 214 Ca -0.04 -0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.44 2whu s ILE 214 Cb -0.12 -0.36 -0.03 0.00 0.01 0.00 0.00 42.46 41.97 2whu s ILE 214 CO -0.17 0.12 0.38 0.00 0.00 0.00 0.00 174.94 175.28 2whu s ALA 215 N -0.08 3.96 0.03 9.38 0.00 -0.26 0.94 121.76 135.73 2whu s ALA 215 Ca 0.01 -1.24 -0.28 0.00 0.00 0.00 0.00 51.96 50.45 2whu s ALA 215 Cb -0.03 -1.74 0.10 0.00 0.00 0.00 0.00 23.12 21.46 2whu s ALA 215 CO -0.00 0.19 1.22 -0.98 0.00 0.00 0.00 175.76 176.19 2whu s ARG 216 N -4.02 0.60 0.47 0.00 1.70 -0.96 -4.65 118.95 112.08 2whu s ARG 216 Ca 0.36 -0.36 -0.20 0.00 -0.47 0.00 0.00 55.73 55.06 2whu s ARG 216 Cb -0.09 0.19 -0.09 0.00 -0.57 0.00 0.00 34.95 34.38 2whu s ARG 216 CO 0.30 -0.28 0.99 -1.01 -1.08 0.00 0.00 175.30 174.22 2whu s HIS 217 N -2.38 3.20 1.25 5.89 3.76 -1.26 -2.12 115.29 123.63 2whu s HIS 217 Ca 0.19 1.58 -0.21 0.00 -0.15 0.00 0.00 55.06 56.47 2whu s HIS 217 Cb 0.02 -2.93 0.31 0.00 1.11 0.00 0.00 32.58 31.09 2whu s HIS 217 CO -0.01 -0.45 1.07 0.43 -0.85 0.00 0.00 174.74 174.93 2whu n SER 218 N -0.95 -2.29 -0.32 1.40 7.64 -1.25 -4.74 113.62 113.11 2whu n SER 218 Ca 0.08 -1.14 0.04 0.00 1.01 0.00 0.00 58.87 58.85 2whu n SER 218 Cb 0.53 -1.00 0.03 0.00 -1.01 0.00 0.00 64.21 62.76 2whu n SER 218 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92