#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 0.91 -3.23 2.46 2.07 -1.99 -3.40 116.25 113.07 2whu h VAL 3 Ca 0.00 -0.03 -0.59 0.00 0.82 0.00 0.00 66.70 66.89 2whu h VAL 3 Cb 0.00 0.80 -0.35 0.00 -1.52 0.00 0.00 31.29 30.23 2whu h VAL 3 CO 0.00 0.02 -0.84 -0.63 0.02 0.00 0.00 177.57 176.14 2whu s ILE 4 N -5.13 1.53 0.77 4.57 1.01 -1.26 -4.95 121.20 117.74 2whu s ILE 4 Ca -0.06 -0.65 -0.11 0.00 0.00 0.00 0.00 60.65 59.83 2whu s ILE 4 Cb 0.18 -1.41 0.05 0.00 0.01 0.00 0.00 42.46 41.29 2whu s ILE 4 CO 0.70 0.45 1.08 0.00 0.00 0.00 0.00 174.94 177.18 2whu s ALA 5 N 1.11 2.36 -0.03 9.38 0.00 -1.26 -4.96 121.76 128.36 2whu s ALA 5 Ca -0.04 -0.07 0.27 0.00 0.00 0.00 0.00 51.96 52.12 2whu s ALA 5 Cb -0.14 -3.15 0.88 0.00 0.00 0.00 0.00 23.12 20.71 2whu s ALA 5 CO -0.04 -1.58 1.80 0.87 0.00 0.00 0.00 175.76 176.81 2whu h LYS 6 N -0.99 0.00 -3.18 0.00 1.57 -1.97 -3.42 116.57 108.58 2whu h LYS 6 Ca -0.46 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 57.95 2whu h LYS 6 Cb 1.25 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.17 2whu h LYS 6 CO 0.58 0.12 -0.72 -1.14 -0.57 0.00 0.00 179.45 177.72 2whu s GLN 7 N -3.50 -0.02 0.05 3.15 2.00 -1.26 -4.06 119.66 116.02 2whu s GLN 7 Ca 0.02 0.31 0.04 0.00 -2.00 0.00 0.00 55.36 53.73 2whu s GLN 7 Cb 0.08 -0.77 -0.02 0.00 0.80 0.00 0.00 33.01 33.10 2whu s GLN 7 CO 0.62 -0.41 -0.11 -1.64 -0.50 0.00 0.00 175.29 173.25 2whu s MET 8 N 2.19 0.71 0.25 1.67 -1.94 -1.20 -5.01 119.30 115.98 2whu s MET 8 Ca 0.04 -0.79 0.03 0.00 -1.71 0.00 0.00 55.69 53.26 2whu s MET 8 Cb -0.13 -0.63 0.05 0.00 2.01 0.00 0.00 34.83 36.12 2whu s MET 8 CO -0.05 0.14 0.35 0.25 -0.01 0.00 0.00 175.02 175.70 2whu n THR 9 N 1.59 0.00 -3.72 2.05 -2.24 -0.26 -2.22 114.28 109.48 2whu n THR 9 Ca -0.20 -0.73 -0.06 0.00 -2.27 0.00 0.00 64.05 60.79 2whu n THR 9 Cb 0.55 -0.93 -0.02 0.00 -2.10 0.00 0.00 70.33 67.83 2whu n THR 9 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2whu s TYR 10 N -0.66 -0.20 0.01 4.78 -0.85 0.42 -3.33 117.35 117.51 2whu s TYR 10 Ca 0.25 -0.11 0.00 0.00 -0.52 0.00 0.00 57.07 56.70 2whu s TYR 10 Cb -0.02 0.63 -0.01 0.00 0.38 0.00 0.00 41.96 42.95 2whu s TYR 10 CO 0.16 -0.88 -0.02 0.21 -1.52 0.00 0.00 175.55 173.50 2whu s LYS 11 N -3.43 0.18 -0.01 -3.49 2.47 -0.48 -0.88 119.74 114.11 2whu s LYS 11 Ca 0.10 -0.23 -0.01 0.00 -1.56 0.00 0.00 55.97 54.27 2whu s LYS 11 Cb -0.02 -0.06 0.00 0.00 -1.46 0.00 0.00 37.83 36.29 2whu s LYS 11 CO 0.01 0.01 0.03 0.54 0.16 0.00 0.00 175.35 176.09 2whu s VAL 12 N -0.48 0.01 -0.10 4.02 0.11 -0.66 -1.75 120.40 121.55 2whu s VAL 12 Ca -0.04 -0.12 0.01 0.00 -2.93 0.00 0.00 61.98 58.89 2whu s VAL 12 Cb -0.04 -0.09 0.02 0.00 -1.53 0.00 0.00 36.38 34.75 2whu s VAL 12 CO -0.00 -0.07 -0.12 -0.31 -3.33 0.00 0.00 175.10 171.27 2whu s TYR 13 N -0.19 1.71 -0.02 1.54 1.51 0.62 -2.33 117.35 120.19 2whu s TYR 13 Ca -0.02 -0.80 -0.03 0.00 -1.01 0.00 0.00 57.07 55.21 2whu s TYR 13 Cb -0.02 -1.29 0.00 0.00 -0.11 0.00 0.00 41.96 40.55 2whu s TYR 13 CO -0.00 -0.46 0.07 1.41 -1.11 0.00 0.00 175.55 175.46 2whu s MET 14 N 1.17 0.14 0.02 -0.62 -2.45 0.53 -1.37 119.30 116.72 2whu s MET 14 Ca -0.04 -0.02 -0.28 0.00 -1.25 0.00 0.00 55.69 54.10 2whu s MET 14 Cb -0.14 0.06 0.07 0.00 1.25 0.00 0.00 34.83 36.07 2whu s MET 14 CO -0.03 -0.02 0.65 -1.54 1.05 0.00 0.00 175.02 175.13 2whu s SER 15 N -0.24 -0.63 0.00 1.11 1.04 -1.10 0.13 113.70 114.01 2whu s SER 15 Ca -0.03 0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.87 2whu s SER 15 Cb -0.02 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.66 2whu s SER 15 CO 0.00 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.10 2whu n GLY 16 N 0.46 -0.53 2.81 7.32 0.00 -0.61 -1.48 105.19 113.17 2whu n GLY 16 Ca -0.18 -0.88 -0.19 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.13 0.27 -0.22 2.61 2.01 -0.43 -0.52 115.64 116.23 2whu s THR 17 Ca 0.00 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.09 2whu s THR 17 Cb 0.00 -0.38 0.04 0.00 0.01 0.00 0.00 72.50 72.17 2whu s THR 17 CO 0.00 0.19 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.28 2whu s VAL 18 N 1.29 2.19 -1.45 3.82 1.01 -1.13 -0.39 120.40 125.74 2whu s VAL 18 Ca -0.06 -1.25 -0.04 0.00 0.00 0.00 0.00 61.98 60.63 2whu s VAL 18 Cb -0.13 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.17 2whu s VAL 18 CO -0.02 0.26 0.55 0.59 0.00 0.00 0.00 175.10 176.48 2whu n ASN 19 N 4.54 -1.20 -1.17 3.32 3.02 0.54 -1.88 115.26 122.44 2whu n ASN 19 Ca -0.18 -0.97 -0.09 0.00 -0.03 0.00 0.00 54.58 53.32 2whu n ASN 19 Cb 0.46 -3.20 0.00 0.00 -0.61 0.00 0.00 39.78 36.44 2whu n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2whu n GLY 20 N -1.83 0.06 2.59 7.41 0.00 -1.26 -5.02 105.19 107.15 2whu n GLY 20 Ca -0.23 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.58 0.77 0.50 1.61 5.04 -0.79 -5.12 115.29 114.73 2whu s HIS 21 Ca 0.05 -1.20 -0.21 0.00 -1.54 0.00 0.00 55.06 52.16 2whu s HIS 21 Cb -0.02 -1.15 -0.07 0.00 0.04 0.00 0.00 32.58 31.38 2whu s HIS 21 CO 0.06 -0.84 1.13 -0.47 -2.34 0.00 0.00 174.74 172.28 2whu s TYR 22 N 1.87 2.79 0.13 3.88 5.04 -1.25 -2.86 117.35 126.95 2whu s TYR 22 Ca 0.10 1.55 -0.24 0.00 -2.44 0.00 0.00 57.07 56.04 2whu s TYR 22 Cb -0.17 -3.30 0.08 0.00 0.35 0.00 0.00 41.96 38.92 2whu s TYR 22 CO -0.31 -1.45 0.66 -0.59 -1.34 0.00 0.00 175.55 172.52 2whu s PHE 23 N -1.70 -0.49 0.10 4.97 -0.12 0.32 -4.57 117.98 116.48 2whu s PHE 23 Ca 0.68 0.29 0.05 0.00 -0.05 0.00 0.00 56.93 57.90 2whu s PHE 23 Cb -0.25 0.56 -0.03 0.00 -0.63 0.00 0.00 43.02 42.67 2whu s PHE 23 CO 0.29 -0.80 -0.13 -1.21 -0.05 0.00 0.00 175.22 173.33 2whu s GLU 24 N -3.63 0.90 -0.05 1.99 2.02 0.33 -1.57 118.70 118.69 2whu s GLU 24 Ca 0.02 -1.11 -0.03 0.00 0.02 0.00 0.00 54.97 53.87 2whu s GLU 24 Cb -0.01 -0.77 0.02 0.00 0.10 0.00 0.00 34.13 33.47 2whu s GLU 24 CO -0.12 0.15 0.11 0.08 0.02 0.00 0.00 175.26 175.51 2whu s VAL 25 N -1.90 -0.02 0.11 2.63 1.01 0.35 -2.41 120.40 120.17 2whu s VAL 25 Ca 0.04 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.12 2whu s VAL 25 Cb -0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 2whu s VAL 25 CO 0.02 0.02 -0.11 -1.61 0.00 0.00 0.00 175.10 173.43 2whu s GLU 26 N 0.40 0.90 0.13 2.72 2.02 -1.11 -0.35 118.70 123.41 2whu s GLU 26 Ca -0.03 -1.21 -0.25 0.00 0.02 0.00 0.00 54.97 53.50 2whu s GLU 26 Cb -0.04 -0.61 0.08 0.00 0.10 0.00 0.00 34.13 33.66 2whu s GLU 26 CO -0.02 0.10 1.06 0.20 0.02 0.00 0.00 175.26 176.62 2whu s GLY 27 N -2.53 -0.15 -0.02 -1.39 0.00 -0.98 -0.86 107.32 101.40 2whu s GLY 27 Ca 0.07 0.07 0.02 0.00 0.00 0.00 0.00 44.72 44.88 2whu s GLY 27 CO 0.01 1.07 -0.06 0.99 0.00 0.00 0.00 173.10 175.11 2whu s ASP 28 N -3.14 0.83 0.13 1.64 1.01 -0.86 -1.65 116.67 114.62 2whu s ASP 28 Ca 0.17 -0.12 0.01 0.00 0.71 0.00 0.00 52.55 53.32 2whu s ASP 28 Cb -0.01 -0.20 -0.04 0.00 1.01 0.00 0.00 42.92 43.68 2whu s ASP 28 CO 0.02 0.04 -0.02 -0.83 0.21 0.00 0.00 175.17 174.59 2whu s GLY 29 N 0.18 0.95 0.40 0.21 0.00 -0.06 -0.98 107.32 108.03 2whu s GLY 29 Ca -0.02 -1.45 0.04 0.00 0.00 0.00 0.00 44.72 43.29 2whu s GLY 29 CO -0.00 -1.47 0.14 -1.59 0.00 0.00 0.00 173.10 170.19 2whu s LYS 30 N -3.90 1.92 0.00 2.90 -2.85 -0.96 -0.44 119.74 116.42 2whu s LYS 30 Ca 0.18 -2.17 0.00 0.00 -1.00 0.00 0.00 55.97 52.98 2whu s LYS 30 Cb 0.06 -0.51 0.00 0.00 -2.06 0.00 0.00 37.83 35.32 2whu s LYS 30 CO -0.01 -0.50 0.00 0.41 0.10 0.00 0.00 175.35 175.35 2whu n GLY 31 N -0.89 4.21 3.57 0.59 0.00 -0.94 -1.62 105.19 110.11 2whu n GLY 31 Ca -0.05 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 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 -3.05 3.57 0.00 1.61 1.02 -0.91 -3.23 119.74 118.75 2whu s LYS 32 Ca 0.00 0.25 0.22 0.00 0.02 0.00 0.00 55.97 56.46 2whu s LYS 32 Cb 0.00 -3.93 1.25 0.00 -0.52 0.00 0.00 37.83 34.63 2whu s LYS 32 CO 0.00 -1.28 1.70 -2.30 -0.92 0.00 0.00 175.35 172.55 2whu n PRO 33 N 7.37 0.56 -0.06 -1.68 -0.02 -1.26 -1.52 135.00 138.41 2whu n PRO 33 Ca 0.08 0.03 -0.06 0.00 -2.02 0.00 0.00 63.50 61.52 2whu n PRO 33 Cb 0.49 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.32 2whu n PRO 33 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2whu n TYR 34 N -1.10 0.35 0.09 6.00 4.01 -1.26 -3.48 117.16 121.77 2whu n TYR 34 Ca 0.14 0.12 -0.16 0.00 -0.16 0.00 0.00 57.90 57.85 2whu n TYR 34 Cb 0.11 -1.00 -0.10 0.00 -0.31 0.00 0.00 39.34 38.04 2whu n TYR 34 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2whu h GLU 35 N 0.00 0.40 0.00 -0.72 4.39 -1.81 -3.40 114.58 113.43 2whu h GLU 35 Ca -0.38 -0.53 0.00 0.00 0.34 0.00 0.00 59.36 58.78 2whu h GLU 35 Cb 1.98 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.81 2whu h GLU 35 CO 0.04 1.21 0.00 0.41 -1.16 0.00 0.00 179.01 179.51 2whu n GLY 36 N 1.27 0.82 3.33 -3.84 0.00 -0.57 -3.97 105.19 102.23 2whu n GLY 36 Ca -0.09 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.65 1.52 -0.08 1.61 2.02 -1.16 -0.20 118.70 121.76 2whu s GLU 37 Ca 0.00 -1.15 -0.30 0.00 0.02 0.00 0.00 54.97 53.54 2whu s GLU 37 Cb 0.00 -1.79 0.09 0.00 0.10 0.00 0.00 34.13 32.53 2whu s GLU 37 CO 0.00 0.45 0.79 1.14 0.02 0.00 0.00 175.26 177.65 2whu s GLN 38 N -1.54 0.91 0.33 1.61 -2.07 -0.88 -2.14 119.66 115.88 2whu s GLN 38 Ca 0.11 0.19 0.06 0.00 -1.82 0.00 0.00 55.36 53.89 2whu s GLN 38 Cb -0.10 0.43 -0.07 0.00 -1.09 0.00 0.00 33.01 32.18 2whu s GLN 38 CO 0.03 -0.29 -0.00 0.95 -1.32 0.00 0.00 175.29 174.66 2whu s THR 39 N -1.29 1.61 0.11 3.63 -4.23 -0.64 -0.71 115.64 114.13 2whu s THR 39 Ca -0.07 -2.06 -0.21 0.00 -1.18 0.00 0.00 61.69 58.17 2whu s THR 39 Cb -0.00 -2.72 0.06 0.00 1.34 0.00 0.00 72.50 71.18 2whu s THR 39 CO 0.06 -0.11 0.53 0.54 -0.54 0.00 0.00 174.62 175.10 2whu s VAL 40 N -3.01 0.03 -0.14 2.29 0.11 -0.15 -2.25 120.40 117.28 2whu s VAL 40 Ca 0.34 -0.21 -0.03 0.00 -2.93 0.00 0.00 61.98 59.14 2whu s VAL 40 Cb 0.07 -1.04 0.05 0.00 -1.53 0.00 0.00 36.38 33.93 2whu s VAL 40 CO 0.15 -0.12 0.06 -0.54 -3.33 0.00 0.00 175.10 171.32 2whu s LYS 41 N -3.34 0.25 0.16 1.54 1.02 -0.15 -1.42 119.74 117.81 2whu s LYS 41 Ca -0.01 -0.05 0.09 0.00 0.02 0.00 0.00 55.97 56.02 2whu s LYS 41 Cb -0.00 -1.54 -0.04 0.00 -0.52 0.00 0.00 37.83 35.73 2whu s LYS 41 CO -0.09 -0.55 -0.13 -0.51 -0.92 0.00 0.00 175.35 173.14 2whu s LEU 42 N 2.05 2.84 0.11 3.17 2.01 0.14 -2.03 118.68 126.98 2whu s LEU 42 Ca 0.02 -0.59 0.05 0.00 0.01 0.00 0.00 54.13 53.62 2whu s LEU 42 Cb -0.15 -1.58 -0.04 0.00 0.01 0.00 0.00 46.19 44.43 2whu s LEU 42 CO -0.07 0.13 -0.12 -0.89 1.01 0.00 0.00 176.35 176.41 2whu s THR 43 N -1.52 1.10 -1.13 5.49 2.01 -0.04 -1.53 115.64 120.02 2whu s THR 43 Ca 0.22 -1.68 -0.07 0.00 0.31 0.00 0.00 61.69 60.47 2whu s THR 43 Cb -0.09 -1.44 0.27 0.00 0.01 0.00 0.00 72.50 71.25 2whu s THR 43 CO 0.13 -0.51 1.40 0.52 -0.69 0.00 0.00 174.62 175.48 2whu n VAL 44 N 0.53 4.85 -0.24 3.82 0.31 0.25 -2.76 118.33 125.10 2whu n VAL 44 Ca -0.16 -5.44 0.32 0.00 -0.01 0.00 0.00 64.34 59.05 2whu n VAL 44 Cb 0.57 -2.33 0.69 0.00 -0.91 0.00 0.00 33.84 31.87 2whu n VAL 44 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2whu h THR 45 N 3.66 0.27 -1.97 2.52 1.35 -1.83 -3.39 112.91 113.52 2whu h THR 45 Ca 0.23 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 66.06 2whu h THR 45 Cb 0.73 0.34 -0.21 0.00 -1.73 0.00 0.00 68.15 67.28 2whu h THR 45 CO 1.25 0.00 0.14 -0.75 -0.25 0.00 0.00 175.52 175.91 2whu s LYS 46 N -4.75 0.80 0.00 4.72 2.20 -1.01 -4.91 119.74 116.78 2whu s LYS 46 Ca -0.04 1.00 0.00 0.00 -0.36 0.00 0.00 55.97 56.57 2whu s LYS 46 Cb 0.20 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.88 2whu s LYS 46 CO 0.68 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.98 2whu n GLY 47 N 2.87 0.62 3.75 5.54 0.00 -1.26 0.12 105.19 116.84 2whu n GLY 47 Ca -0.15 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.22 2.84 0.46 -0.02 0.00 -1.26 -4.11 107.32 103.01 2whu s GLY 48 Ca 0.00 1.19 -0.03 0.00 0.00 0.00 0.00 44.72 45.88 2whu s GLY 48 CO 0.00 1.67 0.73 2.56 0.00 0.00 0.00 173.10 178.06 2whu s PRO 49 N -2.98 3.41 0.05 2.90 0.04 -1.26 -5.10 135.00 132.05 2whu s PRO 49 Ca 0.72 -0.02 -0.31 0.00 0.04 0.00 0.00 61.00 61.43 2whu s PRO 49 Cb -0.36 -2.45 -0.06 0.00 0.04 0.00 0.00 34.50 31.67 2whu s PRO 49 CO 0.42 -0.18 1.25 -0.51 0.04 0.00 0.00 177.00 178.01 2whu s LEU 50 N -4.65 4.35 -0.01 -3.56 1.43 -1.26 -4.94 118.68 110.05 2whu s LEU 50 Ca 0.46 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.62 2whu s LEU 50 Cb -0.10 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.57 2whu s LEU 50 CO 0.42 -0.54 0.57 -0.81 0.23 0.00 0.00 176.35 176.22 2whu n PRO 51 N 4.25 1.13 -4.15 1.29 -0.04 -1.26 -4.86 135.00 131.37 2whu n PRO 51 Ca 0.10 -0.11 -0.14 0.00 -0.04 0.00 0.00 63.50 63.31 2whu n PRO 51 Cb 0.45 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.02 1.12 0.14 0.54 -0.12 -1.26 -4.72 117.98 112.67 2whu s PHE 52 Ca 0.02 -1.30 -0.30 0.00 -0.05 0.00 0.00 56.93 55.30 2whu s PHE 52 Cb 0.01 -0.34 -0.07 0.00 -0.63 0.00 0.00 43.02 42.00 2whu s PHE 52 CO 0.01 -0.88 1.01 0.00 -0.05 0.00 0.00 175.22 175.31 2whu s ALA 53 N -3.70 3.30 0.64 1.99 0.00 -0.24 -4.89 121.76 118.86 2whu s ALA 53 Ca 0.34 0.66 0.33 0.00 0.00 0.00 0.00 51.96 53.30 2whu s ALA 53 Cb 0.03 -3.30 1.80 0.00 0.00 0.00 0.00 23.12 21.65 2whu s ALA 53 CO 0.17 -0.07 2.06 2.35 0.00 0.00 0.00 175.76 180.27 2whu h TRP 54 N 5.30 0.00 -0.03 0.00 2.91 -1.95 -3.22 115.95 118.96 2whu h TRP 54 Ca -0.44 0.00 -0.17 0.00 1.13 0.00 0.00 58.89 59.41 2whu h TRP 54 Cb 1.21 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.85 2whu h TRP 54 CO 0.64 0.00 -0.76 -0.44 -1.03 0.00 0.00 178.44 176.85 2whu h ASP 55 N 0.00 0.25 -0.57 2.65 3.32 -1.95 -0.66 116.42 119.46 2whu h ASP 55 Ca 0.04 -0.18 0.17 0.00 0.02 0.00 0.00 57.03 57.08 2whu h ASP 55 Cb 0.53 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2whu h ASP 55 CO -0.00 0.92 0.42 0.16 -1.72 0.00 0.00 179.24 179.01 2whu h ILE 56 N 0.13 0.70 0.00 0.35 3.07 -1.98 -2.75 117.51 117.02 2whu h ILE 56 Ca -0.03 0.00 -0.21 0.00 1.55 0.00 0.00 64.86 66.17 2whu h ILE 56 Cb 1.34 0.71 -0.04 0.00 -0.27 0.00 0.00 36.82 38.56 2whu h ILE 56 CO 0.12 0.00 -1.34 -0.07 -1.05 0.00 0.00 178.15 175.80 2whu h LEU 57 N 0.00 0.00 -0.88 0.16 3.38 -1.35 -3.40 115.31 113.22 2whu h LEU 57 Ca 0.27 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.14 2whu h LEU 57 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2whu h LEU 57 CO -0.00 0.79 -0.32 0.77 0.09 0.00 0.00 178.44 179.76 2whu h SER 58 N 0.00 0.45 0.11 -0.43 4.64 -1.27 -0.29 113.55 116.76 2whu h SER 58 Ca -0.16 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2whu h SER 58 Cb 1.74 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 2whu h SER 58 CO 0.07 0.75 -0.01 -0.81 -0.87 0.00 0.00 176.83 175.97 2whu n PRO 59 N -4.08 0.95 -0.15 4.77 -0.04 -1.26 -2.45 135.00 132.74 2whu n PRO 59 Ca -0.01 -0.10 0.08 0.00 -0.04 0.00 0.00 63.50 63.43 2whu n PRO 59 Cb 0.45 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.94 1.83 -0.58 0.54 1.13 -0.12 -4.83 117.38 114.41 2whu n GLN 60 Ca 0.21 -1.28 0.04 0.00 -1.94 0.00 0.00 57.00 54.03 2whu n GLN 60 Cb 0.16 -1.34 0.25 0.00 0.11 0.00 0.00 30.24 29.42 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 0.52 4.13 0.00 1.08 4.77 -1.02 -4.98 117.00 121.50 2whu n LEU 61 Ca 0.14 -3.23 0.00 0.00 -0.03 0.00 0.00 56.01 52.89 2whu n LEU 61 Cb 0.33 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 2whu n LEU 61 CO 0.10 0.83 0.00 -0.24 -1.33 0.00 0.00 177.39 176.75 2whu n SER 65 N -0.66 0.00 -0.36 -1.43 2.88 -1.26 -5.05 113.62 107.74 2whu n SER 65 Ca 0.26 0.00 0.28 0.00 -1.33 0.00 0.00 58.87 58.08 2whu n SER 65 Cb 0.97 0.00 0.53 0.00 -0.75 0.00 0.00 64.21 64.97 2whu n SER 65 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2whu h ILE 66 N 0.00 0.24 0.00 2.46 1.08 -2.01 -1.63 117.51 117.66 2whu h ILE 66 Ca 0.00 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 2whu h ILE 66 Cb 0.00 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 33.73 2whu h ILE 66 CO 0.00 0.04 0.16 -0.65 -0.69 0.00 0.00 178.15 177.02 2whu h PRO 67 N 0.24 0.00 -5.67 2.37 0.11 -1.97 -3.14 132.00 123.95 2whu h PRO 67 Ca 0.76 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 66.19 2whu h PRO 67 Cb 1.93 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.94 2whu h PRO 67 CO -0.56 0.00 1.89 -0.06 -0.21 0.00 0.00 178.00 179.06 2whu s PHE 68 N -4.05 2.89 -0.29 0.65 0.40 -0.61 -4.75 117.98 112.21 2whu s PHE 68 Ca -0.04 -1.59 0.02 0.00 -0.60 0.00 0.00 56.93 54.72 2whu s PHE 68 Cb 0.10 -4.65 0.19 0.00 0.51 0.00 0.00 43.02 39.17 2whu s PHE 68 CO 0.32 -1.74 0.56 0.99 0.70 0.00 0.00 175.22 176.05 2whu s THR 69 N 3.81 -0.94 0.43 0.64 2.01 -1.19 -4.54 115.64 115.85 2whu s THR 69 Ca 0.50 -0.03 -0.25 0.00 0.31 0.00 0.00 61.69 62.22 2whu s THR 69 Cb 0.02 -0.98 -0.08 0.00 0.01 0.00 0.00 72.50 71.46 2whu s THR 69 CO 0.03 -0.03 1.34 -0.75 -0.69 0.00 0.00 174.62 174.52 2whu s LYS 70 N 2.80 3.82 -0.05 4.92 2.20 -1.09 -4.75 119.74 127.59 2whu s LYS 70 Ca 0.15 2.23 -0.02 0.00 -0.36 0.00 0.00 55.97 57.98 2whu s LYS 70 Cb -0.13 -2.68 0.03 0.00 -1.51 0.00 0.00 37.83 33.54 2whu s LYS 70 CO -0.23 -0.64 0.08 0.71 -0.36 0.00 0.00 175.35 174.91 2whu s TYR 71 N -1.26 -0.02 0.21 4.03 1.51 -1.26 -2.30 117.35 118.27 2whu s TYR 71 Ca 0.59 0.32 -0.32 0.00 -1.01 0.00 0.00 57.07 56.65 2whu s TYR 71 Cb -0.40 -0.32 -0.14 0.00 -0.11 0.00 0.00 41.96 40.99 2whu s TYR 71 CO 0.51 -0.17 1.44 -2.30 -1.11 0.00 0.00 175.55 173.91 2whu n PRO 72 N 4.86 2.01 0.13 -1.71 -0.02 -1.26 -4.80 135.00 134.21 2whu n PRO 72 Ca -0.13 0.72 0.02 0.00 -2.02 0.00 0.00 63.50 62.08 2whu n PRO 72 Cb 0.50 -2.40 0.10 0.00 -0.02 0.00 0.00 33.50 31.69 2whu n PRO 72 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2whu n GLU 73 N 2.37 0.03 -0.50 -0.52 1.02 -1.26 0.11 120.64 121.88 2whu n GLU 73 Ca 0.13 0.41 0.11 0.00 -0.02 0.00 0.00 57.16 57.79 2whu n GLU 73 Cb 0.30 -2.14 0.35 0.00 -0.02 0.00 0.00 31.44 29.93 2whu n GLU 73 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2whu n ASP 74 N -1.68 4.38 -3.59 1.62 9.92 -1.26 -4.80 116.55 121.15 2whu n ASP 74 Ca -0.00 -2.21 -0.24 0.00 -0.53 0.00 0.00 54.79 51.80 2whu n ASP 74 Cb 0.55 -0.54 -0.16 0.00 -0.64 0.00 0.00 41.12 40.32 2whu n ASP 74 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2whu s ILE 75 N -1.41 -0.14 -0.39 0.53 1.01 0.29 -4.98 121.20 116.11 2whu s ILE 75 Ca 0.51 -0.15 -0.36 0.00 0.00 0.00 0.00 60.65 60.65 2whu s ILE 75 Cb 0.29 -0.59 -0.13 0.00 0.01 0.00 0.00 42.46 42.05 2whu s ILE 75 CO 0.30 -0.27 2.21 -2.65 0.00 0.00 0.00 174.94 174.53 2whu n PRO 76 N 5.29 0.90 -2.42 2.79 -0.02 -1.26 -4.66 135.00 135.63 2whu n PRO 76 Ca -0.07 0.23 -0.38 0.00 -2.02 0.00 0.00 63.50 61.27 2whu n PRO 76 Cb 0.49 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 2whu n PRO 76 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2whu s ASP 77 N 7.37 6.09 0.41 2.55 -1.08 -1.26 -4.13 116.67 126.62 2whu s ASP 77 Ca 1.11 -1.05 0.15 0.00 -0.52 0.00 0.00 52.55 52.25 2whu s ASP 77 Cb -0.93 -2.56 1.02 0.00 -1.46 0.00 0.00 42.92 38.99 2whu s ASP 77 CO 0.50 -1.88 1.89 0.22 0.52 0.00 0.00 175.17 176.43 2whu h TYR 78 N 10.43 0.56 0.03 -5.34 3.20 -1.90 -2.01 116.97 121.95 2whu h TYR 78 Ca 0.09 0.02 -0.25 0.00 3.14 0.00 0.00 58.73 61.72 2whu h TYR 78 Cb 1.02 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.09 2whu h TYR 78 CO 1.23 0.19 -1.27 0.74 -1.64 0.00 0.00 178.16 177.41 2whu h PHE 79 N 0.46 0.12 0.00 -3.82 0.04 -1.95 -2.71 116.94 109.09 2whu h PHE 79 Ca 0.42 -0.09 -0.09 0.00 2.80 0.00 0.00 57.97 61.00 2whu h PHE 79 Cb 0.93 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.06 2whu h PHE 79 CO -0.00 1.09 -0.55 0.87 -0.60 0.00 0.00 178.31 179.12 2whu h LYS 80 N 0.02 0.00 -1.42 1.51 1.57 -1.88 -3.20 116.57 113.17 2whu h LYS 80 Ca -0.12 0.00 0.41 0.00 -1.87 0.00 0.00 60.65 59.07 2whu h LYS 80 Cb 1.89 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 34.14 2whu h LYS 80 CO 0.13 0.81 1.03 1.04 -0.57 0.00 0.00 179.45 181.89 2whu n GLN 81 N -4.56 0.00 0.06 3.15 6.02 -0.76 -1.41 117.38 119.88 2whu n GLN 81 Ca -0.18 0.78 0.12 0.00 -0.01 0.00 0.00 57.00 57.72 2whu n GLN 81 Cb 0.49 -1.81 0.48 0.00 1.02 0.00 0.00 30.24 30.42 2whu n GLN 81 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2whu n SER 82 N -3.37 0.40 -5.00 1.08 3.41 -1.02 -4.90 113.62 104.22 2whu n SER 82 Ca 0.32 0.55 -0.18 0.00 -0.26 0.00 0.00 58.87 59.30 2whu n SER 82 Cb 1.46 -0.65 0.01 0.00 -0.26 0.00 0.00 64.21 64.76 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 -3.08 2.86 -1.57 7.33 0.40 -0.50 -1.61 117.98 121.81 2whu s PHE 83 Ca 0.10 -0.32 0.29 0.00 -0.60 0.00 0.00 56.93 56.41 2whu s PHE 83 Cb 0.14 -2.38 1.21 0.00 0.51 0.00 0.00 43.02 42.50 2whu s PHE 83 CO 0.50 -0.42 1.85 -0.35 0.70 0.00 0.00 175.22 177.50 2whu n PRO 84 N -1.89 0.61 0.00 0.24 -0.04 -1.26 -4.84 135.00 127.82 2whu n PRO 84 Ca 0.07 -0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2whu n PRO 84 Cb 0.59 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 2whu n PRO 84 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2whu n GLU 85 N -1.02 0.00 0.00 0.54 4.71 -1.25 -4.16 120.64 119.45 2whu n GLU 85 Ca 0.14 0.60 0.00 0.00 -0.01 0.00 0.00 57.16 57.89 2whu n GLU 85 Cb 0.28 -1.35 0.00 0.00 -1.01 0.00 0.00 31.44 29.36 2whu n GLU 85 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2whu n GLY 86 N -0.93 0.55 3.37 0.62 0.00 -0.63 -4.61 105.19 103.56 2whu n GLY 86 Ca 0.00 -2.22 -0.10 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.29 -0.02 0.17 1.61 -0.85 -0.63 -0.24 117.35 117.10 2whu s TYR 87 Ca 0.00 -0.33 0.11 0.00 -0.52 0.00 0.00 57.07 56.33 2whu s TYR 87 Cb 0.00 0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.49 2whu s TYR 87 CO 0.00 -0.75 -0.24 0.95 -1.52 0.00 0.00 175.55 173.99 2whu s THR 88 N -3.86 2.27 0.06 -3.49 -4.23 0.51 -0.71 115.64 106.18 2whu s THR 88 Ca 0.08 -1.95 0.04 0.00 -1.18 0.00 0.00 61.69 58.68 2whu s THR 88 Cb 0.02 -2.06 -0.03 0.00 1.34 0.00 0.00 72.50 71.77 2whu s THR 88 CO -0.07 -0.09 -0.11 -1.66 -0.54 0.00 0.00 174.62 172.15 2whu s TRP 89 N -1.55 0.97 0.08 3.99 1.48 -0.73 0.47 118.94 123.65 2whu s TRP 89 Ca 0.18 -0.48 0.05 0.00 -1.06 0.00 0.00 56.10 54.79 2whu s TRP 89 Cb -0.08 -0.56 -0.04 0.00 -1.16 0.00 0.00 33.47 31.63 2whu s TRP 89 CO 0.09 -0.01 -0.02 -1.21 -4.06 0.00 0.00 176.95 171.74 2whu s GLU 90 N -1.68 2.51 -0.06 3.25 0.41 -1.06 0.89 118.70 122.95 2whu s GLU 90 Ca -0.05 -0.84 -0.13 0.00 -0.41 0.00 0.00 54.97 53.54 2whu s GLU 90 Cb -0.10 -2.52 0.03 0.00 -1.78 0.00 0.00 34.13 29.76 2whu s GLU 90 CO 0.01 0.55 0.31 0.50 -0.49 0.00 0.00 175.26 176.14 2whu s ARG 91 N -2.18 0.53 -0.00 1.61 3.52 0.25 -0.25 118.95 122.42 2whu s ARG 91 Ca 0.24 0.09 0.05 0.00 -0.13 0.00 0.00 55.73 55.98 2whu s ARG 91 Cb -0.12 0.24 -0.01 0.00 -1.56 0.00 0.00 34.95 33.50 2whu s ARG 91 CO 0.16 -0.12 -0.16 -1.54 -0.81 0.00 0.00 175.30 172.83 2whu s SER 92 N -0.66 1.92 -0.38 -2.12 1.04 0.15 0.56 113.70 114.20 2whu s SER 92 Ca -0.08 -0.32 -0.02 0.00 0.48 0.00 0.00 55.95 56.01 2whu s SER 92 Cb -0.04 -0.20 0.10 0.00 0.10 0.00 0.00 66.02 65.97 2whu s SER 92 CO 0.02 0.18 0.14 -0.04 0.98 0.00 0.00 173.24 174.53 2whu s MET 93 N -0.51 2.02 -0.27 4.02 -1.94 0.33 -0.66 119.30 122.29 2whu s MET 93 Ca 0.06 -1.72 -0.12 0.00 -1.71 0.00 0.00 55.69 52.20 2whu s MET 93 Cb -0.07 -3.46 -0.05 0.00 2.01 0.00 0.00 34.83 33.27 2whu s MET 93 CO -0.00 -0.97 0.24 -0.80 -0.01 0.00 0.00 175.02 173.48 2whu s ASN 94 N 1.59 6.10 -0.13 3.03 0.01 0.12 -1.44 114.94 124.23 2whu s ASN 94 Ca 0.06 0.09 -0.12 0.00 -0.71 0.00 0.00 52.86 52.18 2whu s ASN 94 Cb -0.22 -2.14 -0.05 0.00 0.41 0.00 0.00 41.25 39.25 2whu s ASN 94 CO -0.04 -0.07 0.26 -0.36 -1.51 0.00 0.00 177.10 175.38 2whu s PHE 95 N 1.73 3.54 0.25 2.20 0.08 -0.67 0.73 117.98 125.83 2whu s PHE 95 Ca 0.09 0.62 0.09 0.00 0.12 0.00 0.00 56.93 57.86 2whu s PHE 95 Cb -0.16 -2.22 0.78 0.00 -0.57 0.00 0.00 43.02 40.86 2whu s PHE 95 CO 0.10 0.43 1.12 -0.85 -0.10 0.00 0.00 175.22 175.92 2whu n GLU 96 N 2.88 -0.05 0.20 0.44 0.28 0.16 0.16 120.64 124.70 2whu n GLU 96 Ca -0.15 1.02 0.13 0.00 -0.16 0.00 0.00 57.16 58.00 2whu n GLU 96 Cb 0.53 -1.73 0.71 0.00 1.43 0.00 0.00 31.44 32.37 2whu n GLU 96 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2whu h ASP 97 N 0.00 0.00 0.00 -1.84 3.58 -1.93 -3.46 116.42 112.77 2whu h ASP 97 Ca 0.53 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.98 2whu h ASP 97 Cb 1.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.35 2whu h ASP 97 CO -0.60 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.37 2whu n GLY 98 N -1.26 0.75 3.83 -0.78 0.00 0.41 -4.90 105.19 103.23 2whu n GLY 98 Ca -0.02 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.00 3.65 -0.10 4.61 0.00 -1.23 -4.85 121.76 121.85 2whu s ALA 99 Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 51.88 2whu s ALA 99 Cb 0.00 -2.49 -0.01 0.00 0.00 0.00 0.00 23.12 20.62 2whu s ALA 99 CO 0.00 0.45 -0.21 0.08 0.00 0.00 0.00 175.76 176.08 2whu s VAL 100 N -1.10 2.37 -0.16 0.00 1.01 -1.04 -1.67 120.40 119.81 2whu s VAL 100 Ca 0.26 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 2whu s VAL 100 Cb -0.18 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 2whu s VAL 100 CO 0.16 0.55 -0.09 0.00 0.00 0.00 0.00 175.10 175.72 2whu s THR 102 N 0.63 5.02 0.02 0.00 -4.23 -0.08 0.12 115.64 117.13 2whu s THR 102 Ca -0.05 -0.19 0.02 0.00 -1.18 0.00 0.00 61.69 60.29 2whu s THR 102 Cb -0.15 -3.26 -0.01 0.00 1.34 0.00 0.00 72.50 70.41 2whu s THR 102 CO 0.03 0.43 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.78 2whu s VAL 103 N -1.15 0.55 0.03 2.29 1.01 0.19 -1.18 120.40 122.14 2whu s VAL 103 Ca 0.21 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 2whu s VAL 103 Cb -0.12 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 2whu s VAL 103 CO 0.11 -0.05 -0.03 -0.94 0.00 0.00 0.00 175.10 174.19 2whu s SER 104 N -0.72 0.31 -0.09 3.32 1.04 -0.22 0.84 113.70 118.19 2whu s SER 104 Ca -0.02 -0.65 -0.10 0.00 0.48 0.00 0.00 55.95 55.66 2whu s SER 104 Cb -0.05 0.13 0.03 0.00 0.10 0.00 0.00 66.02 66.22 2whu s SER 104 CO 0.00 -0.39 0.28 0.21 0.98 0.00 0.00 173.24 174.32 2whu s ASN 105 N -1.90 -0.27 -0.14 7.02 2.47 0.26 0.31 114.94 122.69 2whu s ASN 105 Ca -0.09 0.47 -0.03 0.00 0.42 0.00 0.00 52.86 53.63 2whu s ASN 105 Cb -0.05 0.53 -0.03 0.00 -1.45 0.00 0.00 41.25 40.26 2whu s ASN 105 CO -0.04 -0.16 -0.03 -0.62 -3.72 0.00 0.00 177.10 172.53 2whu s ASP 106 N -0.12 4.87 -0.17 -4.21 -1.08 0.42 -1.77 116.67 114.61 2whu s ASP 106 Ca -0.03 -0.09 0.01 0.00 -0.52 0.00 0.00 52.55 51.93 2whu s ASP 106 Cb -0.03 -1.72 0.03 0.00 -1.46 0.00 0.00 42.92 39.74 2whu s ASP 106 CO 0.01 0.20 -0.15 -0.44 0.52 0.00 0.00 175.17 175.31 2whu s SER 107 N 0.17 2.95 0.00 -0.34 0.01 0.11 0.13 113.70 116.73 2whu s SER 107 Ca -0.01 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.64 2whu s SER 107 Cb -0.14 -1.28 0.00 0.00 0.21 0.00 0.00 66.02 64.81 2whu s SER 107 CO 0.03 -0.06 0.00 -1.54 0.41 0.00 0.00 173.24 172.08 2whu n SER 108 N 4.71 1.74 -3.68 2.44 3.41 -0.84 -1.61 113.62 119.79 2whu n SER 108 Ca -0.18 -0.22 -0.09 0.00 -0.26 0.00 0.00 58.87 58.12 2whu n SER 108 Cb 0.49 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.35 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 0.33 -0.01 -0.90 -1.33 2.07 -1.26 -2.88 121.20 117.22 2whu s ILE 109 Ca 0.00 0.05 -0.01 0.00 -1.41 0.00 0.00 60.65 59.28 2whu s ILE 109 Cb 0.00 -0.75 0.24 0.00 0.13 0.00 0.00 42.46 42.08 2whu s ILE 109 CO 0.00 0.02 0.91 1.67 -1.91 0.00 0.00 174.94 175.63 2whu n GLN 110 N 4.17 2.97 0.00 3.50 -0.06 0.33 -4.96 117.38 123.32 2whu n GLN 110 Ca -0.21 -4.52 0.00 0.00 -2.00 0.00 0.00 57.00 50.26 2whu n GLN 110 Cb 0.57 -2.41 0.00 0.00 -4.06 0.00 0.00 30.24 24.34 2whu n GLN 110 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2whu n GLY 111 N 1.92 1.90 1.97 1.69 0.00 -1.26 -3.25 105.19 108.16 2whu n GLY 111 Ca 0.24 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 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 10.17 4.33 -3.62 1.61 3.02 -1.26 -4.82 115.26 124.69 2whu n ASN 112 Ca 0.00 -3.71 -0.21 0.00 -0.03 0.00 0.00 54.58 50.64 2whu n ASN 112 Cb 0.00 -0.79 -0.16 0.00 -0.61 0.00 0.00 39.78 38.22 2whu n ASN 112 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2whu s PHE 114 N 2.22 2.58 -0.06 0.00 0.08 -1.21 0.12 117.98 121.71 2whu s PHE 114 Ca 0.04 1.55 0.04 0.00 0.12 0.00 0.00 56.93 58.68 2whu s PHE 114 Cb -0.14 -3.23 0.00 0.00 -0.57 0.00 0.00 43.02 39.08 2whu s PHE 114 CO -0.07 -1.75 -0.17 0.42 -0.10 0.00 0.00 175.22 173.55 2whu s ILE 115 N -2.16 1.49 -0.21 0.64 1.01 -1.14 -1.38 121.20 119.45 2whu s ILE 115 Ca 0.69 -0.72 -0.02 0.00 0.00 0.00 0.00 60.65 60.60 2whu s ILE 115 Cb -0.22 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 40.95 2whu s ILE 115 CO 0.38 0.43 -0.09 -0.31 0.00 0.00 0.00 174.94 175.35 2whu s TYR 116 N 0.29 2.91 -0.23 3.97 2.02 -0.72 -1.99 117.35 123.60 2whu s TYR 116 Ca -0.10 -1.22 -0.06 0.00 -0.37 0.00 0.00 57.07 55.32 2whu s TYR 116 Cb -0.14 -2.04 -0.02 0.00 -0.40 0.00 0.00 41.96 39.35 2whu s TYR 116 CO 0.04 -0.65 0.03 1.21 -1.57 0.00 0.00 175.55 174.61 2whu s ASN 117 N 1.41 4.86 -0.05 2.29 3.84 0.12 -0.28 114.94 127.14 2whu s ASN 117 Ca 0.05 -0.25 -0.00 0.00 0.21 0.00 0.00 52.86 52.87 2whu s ASN 117 Cb -0.14 -1.86 0.03 0.00 -0.55 0.00 0.00 41.25 38.73 2whu s ASN 117 CO -0.07 -0.01 -0.00 0.54 -2.79 0.00 0.00 177.10 174.78 2whu s VAL 118 N 1.42 0.29 -0.15 -5.21 0.11 -0.47 0.16 120.40 116.55 2whu s VAL 118 Ca 0.05 0.08 -0.00 0.00 -2.93 0.00 0.00 61.98 59.18 2whu s VAL 118 Cb -0.15 -0.40 -0.01 0.00 -1.53 0.00 0.00 36.38 34.30 2whu s VAL 118 CO 0.01 0.20 -0.14 -0.54 -3.33 0.00 0.00 175.10 171.30 2whu s LYS 119 N 1.37 3.27 -0.12 1.54 3.01 0.15 -2.69 119.74 126.26 2whu s LYS 119 Ca -0.05 -0.73 0.03 0.00 -1.01 0.00 0.00 55.97 54.22 2whu s LYS 119 Cb -0.13 -2.64 0.01 0.00 -1.01 0.00 0.00 37.83 34.06 2whu s LYS 119 CO -0.02 0.07 -0.21 -1.50 0.51 0.00 0.00 175.35 174.19 2whu s ILE 120 N 0.70 1.97 -0.07 2.17 2.07 -0.55 -1.05 121.20 126.44 2whu s ILE 120 Ca -0.07 -0.94 0.00 0.00 -1.41 0.00 0.00 60.65 58.24 2whu s ILE 120 Cb -0.15 -1.73 0.02 0.00 0.13 0.00 0.00 42.46 40.72 2whu s ILE 120 CO 0.02 0.53 -0.05 -0.55 -1.91 0.00 0.00 174.94 172.98 2whu s SER 121 N 0.71 1.48 -0.06 4.50 0.15 -0.32 -1.31 113.70 118.85 2whu s SER 121 Ca -0.10 -0.18 -0.02 0.00 0.70 0.00 0.00 55.95 56.35 2whu s SER 121 Cb -0.16 -0.59 0.03 0.00 -1.71 0.00 0.00 66.02 63.59 2whu s SER 121 CO 0.01 -0.08 0.03 -0.83 1.20 0.00 0.00 173.24 173.56 2whu s GLY 122 N 1.26 0.36 0.43 9.45 0.00 0.48 -0.90 107.32 118.41 2whu s GLY 122 Ca -0.05 0.01 0.04 0.00 0.00 0.00 0.00 44.72 44.72 2whu s GLY 122 CO -0.02 1.23 0.03 -0.54 0.00 0.00 0.00 173.10 173.80 2whu s GLU 123 N 2.04 2.00 -1.25 2.90 2.02 -0.82 0.20 118.70 125.79 2whu s GLU 123 Ca 0.05 -2.20 0.00 0.00 0.02 0.00 0.00 54.97 52.84 2whu s GLU 123 Cb -0.12 -1.38 0.00 0.00 0.10 0.00 0.00 34.13 32.73 2whu s GLU 123 CO -0.04 -0.23 0.00 0.09 0.02 0.00 0.00 175.26 175.10 2whu n ASN 124 N -1.07 -3.25 -4.70 -0.19 5.03 -1.26 -2.50 115.26 107.31 2whu n ASN 124 Ca -0.10 0.29 -0.42 0.00 0.87 0.00 0.00 54.58 55.22 2whu n ASN 124 Cb 0.67 -3.04 -0.03 0.00 -1.02 0.00 0.00 39.78 36.35 2whu n ASN 124 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2whu s PHE 125 N -2.09 2.44 0.37 3.10 0.08 -1.26 -3.89 117.98 116.73 2whu s PHE 125 Ca 0.00 0.23 -0.27 0.00 0.12 0.00 0.00 56.93 57.01 2whu s PHE 125 Cb 0.00 -4.05 -0.10 0.00 -0.57 0.00 0.00 43.02 38.30 2whu s PHE 125 CO 0.00 -4.22 1.33 -2.14 -0.10 0.00 0.00 175.22 170.09 2whu s PRO 126 N 2.37 4.16 0.41 0.24 0.02 -1.26 -4.89 135.00 136.05 2whu s PRO 126 Ca 0.76 2.24 0.17 0.00 0.02 0.00 0.00 61.00 64.20 2whu s PRO 126 Cb -0.43 -2.92 1.07 0.00 0.02 0.00 0.00 34.50 32.24 2whu s PRO 126 CO 0.34 -0.37 1.84 -1.35 -0.33 0.00 0.00 177.00 177.13 2whu h PRO 127 N 3.03 0.41 0.00 5.54 0.11 -2.01 0.20 132.00 139.28 2whu h PRO 127 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2whu h PRO 127 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2whu h PRO 127 CO 0.64 0.27 -0.76 0.09 -0.21 0.00 0.00 178.00 178.03 2whu n ASN 128 N -4.53 0.71 -3.94 -2.05 3.02 -1.26 -4.47 115.26 102.74 2whu n ASN 128 Ca 0.20 -0.55 -0.36 0.00 -0.03 0.00 0.00 54.58 53.84 2whu n ASN 128 Cb 0.72 0.61 0.03 0.00 -0.61 0.00 0.00 39.78 40.53 2whu n ASN 128 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2whu n GLY 129 N 1.49 -4.11 0.00 7.41 0.00 0.71 -4.57 105.19 106.12 2whu n GLY 129 Ca 0.05 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.59 2whu n GLY 129 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2whu n PRO 130 N 2.14 0.50 -0.03 1.61 -0.04 -1.26 -1.78 135.00 136.14 2whu n PRO 130 Ca 0.01 0.04 -0.21 0.00 -0.04 0.00 0.00 63.50 63.30 2whu n PRO 130 Cb 0.52 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.35 2whu n PRO 130 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2whu h VAL 131 N 0.00 1.08 0.18 0.52 2.07 -1.88 0.41 116.25 118.64 2whu h VAL 131 Ca 0.00 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.19 2whu h VAL 131 Cb 0.16 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 2whu h VAL 131 CO 0.00 0.59 -0.19 0.24 0.02 0.00 0.00 177.57 178.24 2whu h MET 132 N -0.57 -0.39 -0.80 1.57 2.86 -1.78 -0.57 114.93 115.26 2whu h MET 132 Ca -0.28 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 2whu h MET 132 Cb 1.55 0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.30 2whu h MET 132 CO -0.02 -0.26 0.00 1.04 1.06 0.00 0.00 176.91 178.73 2whu n GLN 133 N -5.31 0.89 -2.95 1.72 1.13 -0.73 -4.54 117.38 107.59 2whu n GLN 133 Ca -0.08 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.89 2whu n GLN 133 Cb 0.23 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.17 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 0.00 -0.59 0.00 -1.09 5.02 -1.10 -4.87 118.16 115.54 2whu n LYS 134 Ca 0.00 0.29 0.06 0.00 -2.02 0.00 0.00 58.31 56.64 2whu n LYS 134 Cb 0.20 -0.82 0.04 0.00 -0.02 0.00 0.00 35.03 34.43 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 -1.25 0.92 -3.25 1.97 4.76 0.12 -4.96 118.16 116.46 2whu n LYS 135 Ca -0.12 -1.14 -0.32 0.00 -2.87 0.00 0.00 58.31 53.86 2whu n LYS 135 Cb 0.26 -1.22 -0.06 0.00 -1.84 0.00 0.00 35.03 32.18 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 -1.10 4.78 -0.34 -0.18 -4.23 -1.26 -1.22 115.64 112.10 2whu s THR 136 Ca 0.14 0.76 0.16 0.00 -1.18 0.00 0.00 61.69 61.56 2whu s THR 136 Cb 0.10 -3.62 0.45 0.00 1.34 0.00 0.00 72.50 70.77 2whu s THR 136 CO 0.18 -0.13 0.97 0.00 -0.54 0.00 0.00 174.62 175.10 2whu n GLN 137 N -0.24 1.51 0.00 3.99 6.02 0.17 -4.92 117.38 123.91 2whu n GLN 137 Ca 0.02 -3.46 0.00 0.00 -0.01 0.00 0.00 57.00 53.55 2whu n GLN 137 Cb 0.53 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 30.37 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 -0.12 2.45 3.85 1.08 0.00 -1.26 -4.64 105.19 106.55 2whu n GLY 138 Ca 0.14 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.88 3.47 0.22 1.61 0.52 -1.26 -1.60 118.94 119.02 2whu s TRP 139 Ca 0.00 1.13 -0.30 0.00 0.02 0.00 0.00 56.10 56.95 2whu s TRP 139 Cb 0.00 -2.45 -0.08 0.00 -1.15 0.00 0.00 33.47 29.78 2whu s TRP 139 CO 0.00 0.23 1.07 -1.21 0.02 0.00 0.00 176.95 177.07 2whu s GLU 140 N -2.61 4.65 0.23 4.98 0.41 0.67 -4.77 118.70 122.25 2whu s GLU 140 Ca 0.48 1.71 -0.29 0.00 -0.41 0.00 0.00 54.97 56.46 2whu s GLU 140 Cb -0.12 -3.25 -0.16 0.00 -1.78 0.00 0.00 34.13 28.82 2whu s GLU 140 CO 0.19 0.19 0.87 -2.30 -0.49 0.00 0.00 175.26 173.73 2whu n PRO 141 N 1.81 0.80 -4.32 0.39 -0.02 -1.26 -4.60 135.00 127.81 2whu n PRO 141 Ca 0.01 0.28 -0.18 0.00 -2.02 0.00 0.00 63.50 61.59 2whu n PRO 141 Cb 0.46 -1.56 -0.09 0.00 -0.02 0.00 0.00 33.50 32.29 2whu n PRO 141 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2whu s SER 142 N -0.59 1.32 -0.18 2.55 1.04 -0.87 -4.95 113.70 112.03 2whu s SER 142 Ca 0.64 -1.51 -0.04 0.00 0.48 0.00 0.00 55.95 55.53 2whu s SER 142 Cb -0.83 0.35 0.06 0.00 0.10 0.00 0.00 66.02 65.69 2whu s SER 142 CO 0.57 -0.86 0.06 -0.89 0.98 0.00 0.00 173.24 173.10 2whu s THR 143 N -3.69 0.26 0.03 2.02 2.01 -1.26 -0.48 115.64 114.53 2whu s THR 143 Ca 0.37 -0.36 -0.12 0.00 0.31 0.00 0.00 61.69 61.89 2whu s THR 143 Cb 0.06 -0.81 -0.06 0.00 0.01 0.00 0.00 72.50 71.70 2whu s THR 143 CO 0.16 -0.21 0.39 -0.70 -0.69 0.00 0.00 174.62 173.57 2whu s GLU 144 N 1.98 3.82 -0.22 4.92 2.12 0.09 -4.60 118.70 126.80 2whu s GLU 144 Ca 0.01 0.27 -0.04 0.00 0.36 0.00 0.00 54.97 55.57 2whu s GLU 144 Cb -0.16 -3.11 -0.01 0.00 0.26 0.00 0.00 34.13 31.10 2whu s GLU 144 CO -0.08 0.63 -0.03 1.03 -0.54 0.00 0.00 175.26 176.27 2whu s ARG 145 N -1.47 3.42 -0.08 4.30 0.52 -0.09 -0.36 118.95 125.19 2whu s ARG 145 Ca 0.28 -0.60 0.04 0.00 -0.52 0.00 0.00 55.73 54.93 2whu s ARG 145 Cb -0.15 -3.04 -0.01 0.00 0.52 0.00 0.00 34.95 32.27 2whu s ARG 145 CO 0.15 -0.18 -0.23 -0.51 0.02 0.00 0.00 175.30 174.55 2whu s LEU 146 N 1.45 2.18 0.43 2.53 1.02 0.21 -2.01 118.68 124.49 2whu s LEU 146 Ca 0.05 -0.50 0.03 0.00 0.02 0.00 0.00 54.13 53.73 2whu s LEU 146 Cb -0.14 -1.42 -0.03 0.00 0.02 0.00 0.00 46.19 44.62 2whu s LEU 146 CO -0.02 0.20 0.08 0.72 0.02 0.00 0.00 176.35 177.35 2whu s PHE 147 N 0.09 1.85 -0.14 0.29 -0.12 -0.72 -0.90 117.98 118.33 2whu s PHE 147 Ca -0.11 -1.14 -0.10 0.00 -0.05 0.00 0.00 56.93 55.53 2whu s PHE 147 Cb -0.16 -1.32 -0.05 0.00 -0.63 0.00 0.00 43.02 40.87 2whu s PHE 147 CO 0.06 -0.10 0.20 0.00 -0.05 0.00 0.00 175.22 175.34 2whu s ALA 148 N -3.11 3.74 -0.36 1.99 0.00 -1.26 -1.28 121.76 121.48 2whu s ALA 148 Ca 0.20 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.63 2whu s ALA 148 Cb 0.03 -2.17 0.16 0.00 0.00 0.00 0.00 23.12 21.14 2whu s ALA 148 CO 0.11 0.36 0.39 0.50 0.00 0.00 0.00 175.76 177.13 2whu s ARG 149 N -0.33 0.61 -0.48 0.00 3.52 0.03 -4.93 118.95 117.37 2whu s ARG 149 Ca 0.14 -0.67 -0.03 0.00 -0.13 0.00 0.00 55.73 55.04 2whu s ARG 149 Cb -0.13 -0.62 -0.03 0.00 -1.56 0.00 0.00 34.95 32.61 2whu s ARG 149 CO 0.03 -1.17 0.43 -0.25 -0.81 0.00 0.00 175.30 173.53 2whu n ASP 150 N 4.44 -4.25 0.00 -2.12 8.00 -1.26 -3.13 116.55 118.23 2whu n ASP 150 Ca 0.09 -0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.28 2whu n ASP 150 Cb 0.46 -2.76 0.00 0.00 -0.02 0.00 0.00 41.12 38.81 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 -1.37 0.00 3.75 0.44 0.00 -1.26 -4.93 105.19 101.82 2whu n GLY 151 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.43 2.72 -0.25 1.61 -1.94 -1.18 -4.61 119.30 114.22 2whu s MET 152 Ca 0.00 -0.96 -0.08 0.00 -1.71 0.00 0.00 55.69 52.94 2whu s MET 152 Cb 0.00 -2.54 -0.03 0.00 2.01 0.00 0.00 34.83 34.27 2whu s MET 152 CO 0.00 0.47 0.09 -0.51 -0.01 0.00 0.00 175.02 175.06 2whu s LEU 153 N -3.08 3.54 0.00 -0.03 1.02 -0.12 -0.79 118.68 119.21 2whu s LEU 153 Ca 0.30 -0.17 -0.15 0.00 0.02 0.00 0.00 54.13 54.13 2whu s LEU 153 Cb -0.10 -1.95 -0.06 0.00 0.02 0.00 0.00 46.19 44.10 2whu s LEU 153 CO 0.22 -0.03 0.42 -0.63 0.02 0.00 0.00 176.35 176.34 2whu s ILE 154 N 1.61 5.02 -0.02 -0.59 -1.09 -0.41 -0.67 121.20 125.05 2whu s ILE 154 Ca 0.06 0.86 0.03 0.00 -2.23 0.00 0.00 60.65 59.37 2whu s ILE 154 Cb -0.15 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 2whu s ILE 154 CO 0.05 0.58 -0.09 -0.83 -1.23 0.00 0.00 174.94 173.41 2whu s GLY 155 N -1.07 0.52 -0.03 6.18 0.00 0.02 -1.76 107.32 111.17 2whu s GLY 155 Ca 0.24 -0.36 0.01 0.00 0.00 0.00 0.00 44.72 44.61 2whu s GLY 155 CO 0.14 -0.16 -0.05 -1.31 0.00 0.00 0.00 173.10 171.71 2whu s ASN 156 N 0.07 0.89 -0.04 1.64 0.01 -0.85 -1.03 114.94 115.64 2whu s ASN 156 Ca -0.01 -0.13 -0.00 0.00 -0.71 0.00 0.00 52.86 52.01 2whu s ASN 156 Cb -0.07 -0.37 0.03 0.00 0.41 0.00 0.00 41.25 41.25 2whu s ASN 156 CO 0.00 -0.02 0.01 -0.62 -1.51 0.00 0.00 177.10 174.96 2whu s ASP 157 N 0.65 0.72 -0.40 -1.22 -1.08 -0.90 -0.91 116.67 113.54 2whu s ASP 157 Ca -0.09 -0.02 -0.17 0.00 -0.52 0.00 0.00 52.55 51.76 2whu s ASP 157 Cb -0.12 -0.25 0.01 0.00 -1.46 0.00 0.00 42.92 41.11 2whu s ASP 157 CO 0.00 -0.14 0.41 -0.31 0.52 0.00 0.00 175.17 175.66 2whu s TYR 158 N 1.34 3.19 -0.14 -5.34 2.02 -1.26 -1.16 117.35 115.99 2whu s TYR 158 Ca -0.05 -0.27 -0.02 0.00 -0.37 0.00 0.00 57.07 56.35 2whu s TYR 158 Cb -0.13 -2.81 -0.02 0.00 -0.40 0.00 0.00 41.96 38.59 2whu s TYR 158 CO -0.02 -0.61 -0.08 -1.64 -1.57 0.00 0.00 175.55 171.62 2whu s MET 159 N 2.08 3.54 -0.18 -0.62 -1.94 0.16 -4.86 119.30 117.48 2whu s MET 159 Ca 0.12 -0.59 -0.11 0.00 -1.71 0.00 0.00 55.69 53.39 2whu s MET 159 Cb -0.17 -2.79 -0.05 0.00 2.01 0.00 0.00 34.83 33.84 2whu s MET 159 CO 0.13 0.23 0.19 0.00 -0.01 0.00 0.00 175.02 175.56 2whu s ALA 160 N 0.36 3.66 -0.28 3.03 0.00 -1.26 -0.74 121.76 126.52 2whu s ALA 160 Ca -0.07 -0.60 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 2whu s ALA 160 Cb -0.15 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.71 2whu s ALA 160 CO 0.04 0.16 0.13 -0.51 0.00 0.00 0.00 175.76 175.58 2whu s LEU 161 N 0.32 3.86 0.05 0.00 1.43 0.23 -0.24 118.68 124.33 2whu s LEU 161 Ca 0.11 -0.28 -0.33 0.00 -1.03 0.00 0.00 54.13 52.60 2whu s LEU 161 Cb -0.12 -2.01 -0.12 0.00 0.03 0.00 0.00 46.19 43.98 2whu s LEU 161 CO 0.00 -0.10 1.79 0.29 0.23 0.00 0.00 176.35 178.56 2whu n LYS 162 N 4.98 2.39 -2.76 1.70 5.02 -0.63 0.12 118.16 129.00 2whu n LYS 162 Ca -0.15 0.87 -0.23 0.00 -2.02 0.00 0.00 58.31 56.79 2whu n LYS 162 Cb 0.51 -2.72 0.02 0.00 -0.02 0.00 0.00 35.03 32.82 2whu n LYS 162 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2whu s LEU 163 N 2.83 3.43 0.05 -0.35 1.43 -1.14 0.44 118.68 125.37 2whu s LEU 163 Ca 0.85 0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 53.90 2whu s LEU 163 Cb -0.61 -3.11 -0.08 0.00 0.03 0.00 0.00 46.19 42.41 2whu s LEU 163 CO 0.43 -0.94 1.73 -0.70 0.23 0.00 0.00 176.35 177.10 2whu s GLU 164 N -4.71 4.18 0.00 1.70 2.12 -0.35 -2.68 118.70 118.95 2whu s GLU 164 Ca 0.53 2.39 0.00 0.00 0.36 0.00 0.00 54.97 58.25 2whu s GLU 164 Cb -0.10 -3.74 0.00 0.00 0.26 0.00 0.00 34.13 30.54 2whu s GLU 164 CO 0.39 -0.80 0.00 0.41 -0.54 0.00 0.00 175.26 174.72 2whu n GLY 165 N 4.13 0.86 2.33 -1.50 0.00 -1.26 -4.51 105.19 105.24 2whu n GLY 165 Ca 0.17 -0.13 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.26 0.50 0.00 -0.02 0.00 -1.09 -5.04 105.19 97.28 2whu n GLY 166 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.67 -0.84 3.44 -0.02 0.00 -1.26 -4.86 105.19 99.99 2whu n GLY 167 Ca -0.02 -1.37 -0.16 0.00 0.00 0.00 0.00 46.02 44.47 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 0.00 -0.52 -0.08 1.61 3.76 -1.26 -2.86 115.29 115.94 2whu s HIS 168 Ca 0.00 0.80 0.02 0.00 -0.15 0.00 0.00 55.06 55.73 2whu s HIS 168 Cb 0.00 0.35 0.01 0.00 1.11 0.00 0.00 32.58 34.05 2whu s HIS 168 CO 0.00 -0.59 -0.14 -0.47 -0.85 0.00 0.00 174.74 172.70 2whu s TYR 169 N -1.59 1.69 -0.16 1.40 5.04 0.12 -4.82 117.35 119.01 2whu s TYR 169 Ca -0.10 -0.69 -0.02 0.00 -2.44 0.00 0.00 57.07 53.82 2whu s TYR 169 Cb -0.01 -1.23 -0.02 0.00 0.35 0.00 0.00 41.96 41.06 2whu s TYR 169 CO 0.06 -0.36 -0.08 -0.51 -1.34 0.00 0.00 175.55 173.31 2whu s LEU 170 N 0.80 2.89 -0.01 6.97 1.43 -1.26 0.76 118.68 130.26 2whu s LEU 170 Ca -0.11 -0.30 0.05 0.00 -1.03 0.00 0.00 54.13 52.73 2whu s LEU 170 Cb -0.16 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 2whu s LEU 170 CO 0.02 0.11 -0.16 0.00 0.23 0.00 0.00 176.35 176.54 2whu s GLU 172 N -0.43 4.18 -0.27 0.00 2.12 0.22 0.37 118.70 124.90 2whu s GLU 172 Ca 0.06 0.06 -0.14 0.00 0.36 0.00 0.00 54.97 55.30 2whu s GLU 172 Cb -0.06 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 2whu s GLU 172 CO -0.00 0.09 0.35 -0.06 -0.54 0.00 0.00 175.26 175.09 2whu s PHE 173 N 0.94 3.24 -0.38 5.30 0.40 -0.31 0.14 117.98 127.32 2whu s PHE 173 Ca 0.15 0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 56.85 2whu s PHE 173 Cb -0.14 -2.54 0.10 0.00 0.51 0.00 0.00 43.02 40.95 2whu s PHE 173 CO 0.05 -0.22 0.14 0.15 0.70 0.00 0.00 175.22 176.05 2whu s LYS 174 N 2.02 1.91 -0.08 0.44 1.02 0.16 -2.11 119.74 123.09 2whu s LYS 174 Ca 0.14 -1.77 0.03 0.00 0.02 0.00 0.00 55.97 54.39 2whu s LYS 174 Cb -0.16 -3.43 -0.02 0.00 -0.52 0.00 0.00 37.83 33.70 2whu s LYS 174 CO 0.10 -0.98 -0.18 -1.12 -0.92 0.00 0.00 175.35 172.25 2whu s SER 175 N 1.51 3.66 -0.25 2.83 0.01 -0.20 -0.68 113.70 120.58 2whu s SER 175 Ca 0.07 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 56.99 2whu s SER 175 Cb -0.21 -1.15 0.05 0.00 0.21 0.00 0.00 66.02 64.91 2whu s SER 175 CO -0.05 0.24 -0.10 -0.89 0.41 0.00 0.00 173.24 172.85 2whu s THR 176 N -0.11 2.34 -0.19 1.44 2.01 0.65 -0.80 115.64 120.99 2whu s THR 176 Ca -0.03 -1.46 -0.14 0.00 0.31 0.00 0.00 61.69 60.37 2whu s THR 176 Cb -0.14 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 2whu s THR 176 CO 0.04 0.05 0.31 -0.31 -0.69 0.00 0.00 174.62 174.02 2whu s TYR 177 N 1.17 3.41 -0.27 4.92 2.02 0.16 -2.58 117.35 126.18 2whu s TYR 177 Ca -0.06 0.55 -0.03 0.00 -0.37 0.00 0.00 57.07 57.16 2whu s TYR 177 Cb -0.19 -2.39 0.09 0.00 -0.40 0.00 0.00 41.96 39.07 2whu s TYR 177 CO -0.05 0.13 0.11 0.21 -1.57 0.00 0.00 175.55 174.37 2whu s LYS 178 N 0.84 0.37 0.17 -0.62 2.20 0.18 -0.94 119.74 121.92 2whu s LYS 178 Ca 0.16 -0.61 -0.27 0.00 -0.36 0.00 0.00 55.97 54.89 2whu s LYS 178 Cb -0.14 -1.56 -0.08 0.00 -1.51 0.00 0.00 37.83 34.54 2whu s LYS 178 CO 0.05 -0.93 0.83 0.00 -0.36 0.00 0.00 175.35 174.95 2whu s ALA 179 N 1.95 3.39 -1.28 3.13 0.00 -1.26 0.19 121.76 127.88 2whu s ALA 179 Ca 0.07 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.47 2whu s ALA 179 Cb -0.16 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2whu s ALA 179 CO -0.27 0.22 0.31 1.63 0.00 0.00 0.00 175.76 177.64 2whu n LYS 180 N 1.82 0.48 -3.86 0.00 5.02 0.67 -4.76 118.16 117.54 2whu n LYS 180 Ca -0.04 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.18 2whu n LYS 180 Cb 0.48 -1.17 -0.01 0.00 -0.02 0.00 0.00 35.03 34.31 2whu n LYS 180 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2whu s LYS 181 N -1.28 1.90 -0.51 1.97 -2.85 -1.26 -4.91 119.74 112.80 2whu s LYS 181 Ca 0.00 -1.16 -0.28 0.00 -1.00 0.00 0.00 55.97 53.54 2whu s LYS 181 Cb 0.00 0.60 0.03 0.00 -2.06 0.00 0.00 37.83 36.40 2whu s LYS 181 CO 0.00 -0.87 1.10 -2.14 0.10 0.00 0.00 175.35 173.54 2whu s PRO 182 N -3.45 3.60 0.60 1.78 0.02 -1.26 -5.04 135.00 131.24 2whu s PRO 182 Ca 0.14 0.34 0.04 0.00 0.02 0.00 0.00 61.00 61.54 2whu s PRO 182 Cb -0.05 -3.95 0.08 0.00 0.02 0.00 0.00 34.50 30.60 2whu s PRO 182 CO 0.09 -1.44 0.83 0.14 -0.33 0.00 0.00 177.00 176.28 2whu s VAL 183 N 4.42 2.35 0.23 3.83 -7.23 -1.26 -5.08 120.40 117.66 2whu s VAL 183 Ca 0.43 -0.80 -0.30 0.00 -1.81 0.00 0.00 61.98 59.50 2whu s VAL 183 Cb -0.08 -2.54 -0.09 0.00 0.56 0.00 0.00 36.38 34.23 2whu s VAL 183 CO 0.28 0.00 1.22 -0.60 -0.31 0.00 0.00 175.10 175.70 2whu s ARG 184 N -4.80 4.47 -0.17 4.82 3.52 -1.26 -5.01 118.95 120.52 2whu s ARG 184 Ca 0.62 1.96 -0.22 0.00 -0.13 0.00 0.00 55.73 57.96 2whu s ARG 184 Cb -0.07 -3.19 -0.02 0.00 -1.56 0.00 0.00 34.95 30.11 2whu s ARG 184 CO 0.40 -0.08 0.69 -1.64 -0.81 0.00 0.00 175.30 173.85 2whu s MET 185 N -0.73 4.27 0.25 5.12 -1.94 -1.26 -4.62 119.30 120.39 2whu s MET 185 Ca 0.51 0.75 -0.30 0.00 -1.71 0.00 0.00 55.69 54.95 2whu s MET 185 Cb -0.35 -3.56 -0.09 0.00 2.01 0.00 0.00 34.83 32.85 2whu s MET 185 CO 0.41 -0.21 1.07 -1.25 -0.01 0.00 0.00 175.02 175.02 2whu s PRO 186 N 1.80 4.68 1.38 2.03 0.04 -1.26 -4.78 135.00 138.88 2whu s PRO 186 Ca 0.32 1.72 -0.21 0.00 0.04 0.00 0.00 61.00 62.87 2whu s PRO 186 Cb -0.16 -3.22 0.35 0.00 0.04 0.00 0.00 34.50 31.51 2whu s PRO 186 CO 0.12 0.25 0.95 0.20 0.04 0.00 0.00 177.00 178.56 2whu s GLY 187 N -0.80 1.44 0.63 0.56 0.00 -1.26 -4.49 107.32 103.40 2whu s GLY 187 Ca 0.45 -0.74 -0.17 0.00 0.00 0.00 0.00 44.72 44.25 2whu s GLY 187 CO 0.38 0.22 0.53 0.54 0.00 0.00 0.00 173.10 174.78 2whu n ARG 188 N -5.50 0.45 -3.61 2.90 1.74 -1.26 -4.84 116.66 106.54 2whu n ARG 188 Ca 0.11 0.18 -0.00 0.00 -0.77 0.00 0.00 57.85 57.38 2whu n ARG 188 Cb 0.59 -1.76 -0.01 0.00 -1.02 0.00 0.00 32.46 30.26 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 -1.78 -0.05 0.07 -1.55 -3.43 -0.08 -4.44 115.29 104.04 2whu s HIS 189 Ca 0.68 -0.01 0.07 0.00 -0.80 0.00 0.00 55.06 55.00 2whu s HIS 189 Cb -0.41 0.53 -0.03 0.00 -1.43 0.00 0.00 32.58 31.24 2whu s HIS 189 CO 0.55 -0.18 -0.20 -1.21 -2.00 0.00 0.00 174.74 171.71 2whu s GLU 190 N -2.31 1.16 -0.10 -0.38 2.02 -0.61 0.66 118.70 119.14 2whu s GLU 190 Ca 0.13 -1.03 0.02 0.00 0.02 0.00 0.00 54.97 54.11 2whu s GLU 190 Cb 0.03 -1.33 -0.01 0.00 0.10 0.00 0.00 34.13 32.92 2whu s GLU 190 CO -0.04 0.32 -0.18 0.42 0.02 0.00 0.00 175.26 175.80 2whu s ILE 191 N -1.02 2.62 -0.10 -1.63 1.01 0.52 -1.96 121.20 120.63 2whu s ILE 191 Ca 0.05 -0.83 -0.06 0.00 0.00 0.00 0.00 60.65 59.82 2whu s ILE 191 Cb -0.09 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 2whu s ILE 191 CO 0.03 0.55 0.13 -1.81 0.00 0.00 0.00 174.94 173.84 2whu s ASP 192 N 0.18 6.26 0.21 3.58 1.01 0.62 -0.73 116.67 127.79 2whu s ASP 192 Ca -0.10 0.41 -0.03 0.00 0.71 0.00 0.00 52.55 53.54 2whu s ASP 192 Cb -0.16 -1.99 -0.03 0.00 1.01 0.00 0.00 42.92 41.74 2whu s ASP 192 CO 0.06 0.38 0.18 -0.13 0.21 0.00 0.00 175.17 175.88 2whu s ARG 193 N -1.15 1.25 -0.13 8.23 0.52 0.37 -1.62 118.95 126.42 2whu s ARG 193 Ca 0.17 -1.57 -0.09 0.00 -0.52 0.00 0.00 55.73 53.71 2whu s ARG 193 Cb -0.12 0.30 0.04 0.00 0.52 0.00 0.00 34.95 35.69 2whu s ARG 193 CO 0.06 -0.43 0.32 0.21 0.02 0.00 0.00 175.30 175.48 2whu s LYS 194 N -4.14 0.33 -0.10 3.54 2.20 -0.71 -2.04 119.74 118.82 2whu s LYS 194 Ca 0.37 0.55 -0.01 0.00 -0.36 0.00 0.00 55.97 56.51 2whu s LYS 194 Cb 0.06 0.05 0.03 0.00 -1.51 0.00 0.00 37.83 36.46 2whu s LYS 194 CO 0.12 -0.10 -0.00 -1.17 -0.36 0.00 0.00 175.35 173.83 2whu s LEU 195 N 0.75 0.80 -0.14 5.43 2.96 -1.26 -2.17 118.68 125.05 2whu s LEU 195 Ca -0.05 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.60 2whu s LEU 195 Cb -0.06 -0.53 0.02 0.00 0.50 0.00 0.00 46.19 46.12 2whu s LEU 195 CO -0.05 -0.21 -0.16 -1.81 -1.32 0.00 0.00 176.35 172.80 2whu s ASP 196 N 1.91 2.75 -0.63 3.68 1.01 -1.09 -4.33 116.67 119.97 2whu s ASP 196 Ca 0.04 -0.51 -0.26 0.00 0.71 0.00 0.00 52.55 52.53 2whu s ASP 196 Cb -0.13 -1.24 -0.11 0.00 1.01 0.00 0.00 42.92 42.45 2whu s ASP 196 CO -0.06 -0.02 2.43 0.52 0.21 0.00 0.00 175.17 178.25 2whu n VAL 197 N 4.55 -0.05 0.03 -1.27 0.31 -1.26 -2.43 118.33 118.20 2whu n VAL 197 Ca -0.18 -0.65 -0.07 0.00 -0.01 0.00 0.00 64.34 63.42 2whu n VAL 197 Cb 0.50 -2.34 -0.05 0.00 -0.91 0.00 0.00 33.84 31.04 2whu n VAL 197 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2whu h THR 198 N 7.70 0.55 -3.91 2.52 1.35 -1.35 -3.47 112.91 116.30 2whu h THR 198 Ca -0.14 -1.17 -0.44 0.00 -0.55 0.00 0.00 66.41 64.10 2whu h THR 198 Cb 1.18 0.99 -0.21 0.00 -1.73 0.00 0.00 68.15 68.38 2whu h THR 198 CO 1.14 0.17 -0.79 -0.94 -0.25 0.00 0.00 175.52 174.85 2whu s SER 199 N -5.51 1.88 0.04 5.36 1.04 -1.20 -4.96 113.70 110.36 2whu s SER 199 Ca -0.09 -0.65 -0.24 0.00 0.48 0.00 0.00 55.95 55.45 2whu s SER 199 Cb -0.00 -0.07 0.06 0.00 0.10 0.00 0.00 66.02 66.11 2whu s SER 199 CO 0.31 -0.06 0.56 -1.38 0.98 0.00 0.00 173.24 173.66 2whu s HIS 200 N -1.33 -0.49 0.50 5.02 -3.43 -1.26 -0.51 115.29 113.80 2whu s HIS 200 Ca 0.01 0.58 -0.03 0.00 -0.80 0.00 0.00 55.06 54.81 2whu s HIS 200 Cb -0.10 0.39 -0.01 0.00 -1.43 0.00 0.00 32.58 31.44 2whu s HIS 200 CO 0.03 -0.67 0.77 0.54 -2.00 0.00 0.00 174.74 173.41 2whu s ASN 201 N -1.93 5.85 0.27 7.38 4.22 -1.08 -4.99 114.94 124.64 2whu s ASN 201 Ca -0.05 0.58 -0.03 0.00 -2.14 0.00 0.00 52.86 51.22 2whu s ASN 201 Cb -0.01 -1.76 0.57 0.00 1.28 0.00 0.00 41.25 41.33 2whu s ASN 201 CO -0.01 -0.80 1.64 0.08 -2.04 0.00 0.00 177.10 175.98 2whu h ARG 202 N 0.16 0.16 -0.54 3.55 -0.00 -2.03 -1.24 114.38 114.45 2whu h ARG 202 Ca -0.46 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.98 59.51 2whu h ARG 202 Cb 1.24 -0.04 -0.00 0.00 -0.00 0.00 0.00 29.97 31.18 2whu h ARG 202 CO 0.60 0.10 0.00 -0.40 -0.00 0.00 0.00 179.97 180.27 2whu n ASP 203 N -5.28 5.55 -3.82 0.08 5.75 -1.26 -4.97 116.55 112.60 2whu n ASP 203 Ca 0.17 -2.95 -0.26 0.00 -0.01 0.00 0.00 54.79 51.74 2whu n ASP 203 Cb 0.57 -0.67 0.03 0.00 -1.03 0.00 0.00 41.12 40.02 2whu n ASP 203 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2whu n TYR 204 N 0.48 -2.13 0.40 2.11 4.02 -0.47 -4.55 117.16 117.02 2whu n TYR 204 Ca 0.27 0.88 0.11 0.00 -0.01 0.00 0.00 57.90 59.15 2whu n TYR 204 Cb 1.17 -4.17 -0.14 0.00 -0.02 0.00 0.00 39.34 36.19 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 -4.51 0.02 -4.26 -0.72 -2.24 -1.26 -4.69 114.28 96.60 2whu n THR 205 Ca -0.11 -0.30 -0.20 0.00 -2.27 0.00 0.00 64.05 61.16 2whu n THR 205 Cb 0.60 0.38 -0.16 0.00 -2.10 0.00 0.00 70.33 69.04 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 -3.93 1.06 -0.12 3.42 0.01 -1.26 -0.58 113.70 112.30 2whu s SER 206 Ca -0.01 -0.16 -0.14 0.00 1.31 0.00 0.00 55.95 56.95 2whu s SER 206 Cb 0.15 -0.46 0.03 0.00 0.21 0.00 0.00 66.02 65.95 2whu s SER 206 CO 0.89 -0.01 0.37 -0.69 0.41 0.00 0.00 173.24 174.20 2whu s VAL 207 N 0.69 0.01 0.06 3.43 1.01 -0.58 -2.64 120.40 122.38 2whu s VAL 207 Ca -0.10 -0.08 0.08 0.00 0.00 0.00 0.00 61.98 61.88 2whu s VAL 207 Cb -0.13 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 2whu s VAL 207 CO 0.01 -0.04 -0.20 -1.61 0.00 0.00 0.00 175.10 173.25 2whu s GLU 208 N -0.08 1.91 0.08 2.72 2.02 0.34 0.26 118.70 125.94 2whu s GLU 208 Ca -0.02 -1.07 0.03 0.00 0.02 0.00 0.00 54.97 53.92 2whu s GLU 208 Cb -0.03 -2.11 -0.03 0.00 0.10 0.00 0.00 34.13 32.05 2whu s GLU 208 CO 0.01 0.52 -0.08 -0.65 0.02 0.00 0.00 175.26 175.07 2whu s GLN 209 N -1.60 0.73 0.24 1.61 -0.21 -0.50 -0.87 119.66 119.07 2whu s GLN 209 Ca 0.15 -1.07 0.11 0.00 0.02 0.00 0.00 55.36 54.56 2whu s GLN 209 Cb -0.10 -0.36 -0.05 0.00 1.00 0.00 0.00 33.01 33.50 2whu s GLN 209 CO 0.06 0.04 -0.19 0.00 -2.12 0.00 0.00 175.29 173.08 2whu s GLU 211 N -3.33 0.00 -0.13 0.00 2.12 0.11 -2.67 118.70 114.81 2whu s GLU 211 Ca 0.25 0.15 -0.00 0.00 0.36 0.00 0.00 54.97 55.73 2whu s GLU 211 Cb -0.05 -0.14 -0.02 0.00 0.26 0.00 0.00 34.13 34.19 2whu s GLU 211 CO 0.12 -0.10 -0.12 -1.50 -0.54 0.00 0.00 175.26 173.12 2whu s ILE 212 N 0.67 3.19 -0.14 -3.70 -1.16 -0.92 -2.08 121.20 117.05 2whu s ILE 212 Ca -0.05 -0.62 -0.07 0.00 -0.51 0.00 0.00 60.65 59.40 2whu s ILE 212 Cb -0.08 -2.34 0.06 0.00 0.61 0.00 0.00 42.46 40.71 2whu s ILE 212 CO -0.02 0.53 0.33 0.00 -2.81 0.00 0.00 174.94 172.97 2whu s ALA 213 N 0.25 -0.82 0.19 1.50 0.00 0.72 -1.74 121.76 121.85 2whu s ALA 213 Ca -0.08 1.26 0.04 0.00 0.00 0.00 0.00 51.96 53.18 2whu s ALA 213 Cb -0.15 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.04 2whu s ALA 213 CO 0.05 -0.34 -0.04 0.42 0.00 0.00 0.00 175.76 175.85 2whu s ILE 214 N 1.60 1.02 0.04 0.00 1.01 -0.64 -2.66 121.20 121.57 2whu s ILE 214 Ca -0.07 -2.03 0.01 0.00 0.00 0.00 0.00 60.65 58.56 2whu s ILE 214 Cb -0.10 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 2whu s ILE 214 CO -0.11 -0.51 -0.06 0.00 0.00 0.00 0.00 174.94 174.26 2whu s ALA 215 N -3.43 0.41 0.13 9.38 0.00 -0.97 -0.27 121.76 127.01 2whu s ALA 215 Ca 0.23 -0.72 -0.25 0.00 0.00 0.00 0.00 51.96 51.23 2whu s ALA 215 Cb 0.05 0.09 0.07 0.00 0.00 0.00 0.00 23.12 23.32 2whu s ALA 215 CO 0.05 -0.08 0.80 -0.98 0.00 0.00 0.00 175.76 175.55 2whu s ARG 216 N -1.61 1.21 1.03 0.00 1.70 -0.83 -4.30 118.95 116.16 2whu s ARG 216 Ca -0.12 -0.56 -0.12 0.00 -0.47 0.00 0.00 55.73 54.47 2whu s ARG 216 Cb -0.10 0.48 0.21 0.00 -0.57 0.00 0.00 34.95 34.98 2whu s ARG 216 CO -0.00 -0.54 1.08 -1.01 -1.08 0.00 0.00 175.30 173.74 2whu s HIS 217 N -3.47 1.62 0.00 5.89 3.76 -1.26 -1.57 115.29 120.25 2whu s HIS 217 Ca 0.07 1.39 0.00 0.00 -0.15 0.00 0.00 55.06 56.37 2whu s HIS 217 Cb -0.02 -3.19 0.00 0.00 1.11 0.00 0.00 32.58 30.48 2whu s HIS 217 CO -0.04 -3.26 0.00 0.43 -0.85 0.00 0.00 174.74 171.02 2whu n SER 218 N -4.51 0.00 0.00 1.40 7.64 -1.26 -4.62 113.62 112.27 2whu n SER 218 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 2whu n SER 218 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 2whu n SER 218 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92