#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2whs s VAL -6 N 0.00 0.14 0.29 4.08 -7.23 -1.26 -5.15 120.40 111.26 2whs s VAL -6 Ca 0.00 -0.94 -0.29 0.00 -1.81 0.00 0.00 61.98 58.94 2whs s VAL -6 Cb 0.00 -0.30 -0.09 0.00 0.56 0.00 0.00 36.38 36.54 2whs s VAL -6 CO 0.00 -0.50 1.06 -2.16 -0.31 0.00 0.00 175.10 173.18 2whs s PRO -5 N -1.52 4.63 -0.26 4.82 0.04 -1.26 -5.03 135.00 136.43 2whs s PRO -5 Ca -0.15 1.69 -0.02 0.00 0.04 0.00 0.00 61.00 62.56 2whs s PRO -5 Cb -0.10 -3.13 0.12 0.00 0.04 0.00 0.00 34.50 31.44 2whs s PRO -5 CO -0.01 0.24 0.29 -0.98 0.04 0.00 0.00 177.00 176.57 2whs s ARG -4 N -1.52 0.29 0.00 4.56 1.70 -1.26 -5.01 118.95 117.71 2whs s ARG -4 Ca 0.45 0.05 0.00 0.00 -0.47 0.00 0.00 55.73 55.76 2whs s ARG -4 Cb -0.29 -0.79 0.00 0.00 -0.57 0.00 0.00 34.95 33.30 2whs s ARG -4 CO 0.37 -0.87 0.00 0.41 -1.08 0.00 0.00 175.30 174.13 2whs n GLY -3 N 5.32 0.59 3.14 3.88 0.00 -1.26 -5.15 105.19 111.71 2whs n GLY -3 Ca -0.03 -0.87 -0.21 0.00 0.00 0.00 0.00 46.02 44.91 2whs n GLY -3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2whs s SER -2 N 0.00 1.71 -0.54 1.61 0.01 -1.26 -5.10 113.70 110.14 2whs s SER -2 Ca 0.00 -0.40 -0.26 0.00 1.31 0.00 0.00 55.95 56.61 2whs s SER -2 Cb 0.00 -0.14 0.04 0.00 0.21 0.00 0.00 66.02 66.13 2whs s SER -2 CO 0.00 0.09 1.01 -2.28 0.41 0.00 0.00 173.24 172.46 2whs s HIS -1 N -0.68 2.77 -0.02 2.43 2.46 -1.26 -5.02 115.29 115.97 2whs s HIS -1 Ca 0.03 0.19 -0.16 0.00 0.47 0.00 0.00 55.06 55.60 2whs s HIS -1 Cb -0.07 -4.17 -0.05 0.00 -0.13 0.00 0.00 32.58 28.15 2whs s HIS -1 CO 0.01 -1.36 0.43 -1.64 -2.47 0.00 0.00 174.74 169.71 2whs s MET 0 N 4.17 4.04 0.05 2.88 -1.94 -1.26 -5.09 119.30 122.16 2whs s MET 0 Ca 0.35 0.44 -0.04 0.00 -1.71 0.00 0.00 55.69 54.73 2whs s MET 0 Cb -0.11 -3.27 -0.02 0.00 2.01 0.00 0.00 34.83 33.44 2whs s MET 0 CO 0.23 0.56 0.05 0.14 -0.01 0.00 0.00 175.02 175.99 2whs s VAL 1 N -0.68 0.16 0.31 -6.03 -7.23 -1.26 -5.16 120.40 100.51 2whs s VAL 1 Ca 0.24 -1.35 -0.19 0.00 -1.81 0.00 0.00 61.98 58.87 2whs s VAL 1 Cb -0.16 -1.12 -0.09 0.00 0.56 0.00 0.00 36.38 35.56 2whs s VAL 1 CO 0.13 -0.75 0.80 -0.94 -0.31 0.00 0.00 175.10 174.03 2whs s SER 2 N -2.45 6.98 0.24 4.85 1.04 -1.26 -4.98 113.70 118.11 2whs s SER 2 Ca -0.00 1.48 -0.05 0.00 0.48 0.00 0.00 55.95 57.86 2whs s SER 2 Cb 0.02 -2.45 0.36 0.00 0.10 0.00 0.00 66.02 64.06 2whs s SER 2 CO -0.07 -0.14 1.84 0.58 0.98 0.00 0.00 173.24 176.43 2whs h VAL 3 N 2.30 0.99 -3.62 5.02 2.07 -1.98 -3.37 116.25 117.66 2whs h VAL 3 Ca -0.48 -0.31 -0.68 0.00 0.82 0.00 0.00 66.70 66.05 2whs h VAL 3 Cb 1.18 0.00 -0.30 0.00 -1.52 0.00 0.00 31.29 30.66 2whs h VAL 3 CO 0.64 0.17 -0.67 -0.63 0.02 0.00 0.00 177.57 177.10 2whs s ILE 4 N -6.05 3.43 0.65 4.57 1.01 -1.26 -4.89 121.20 118.67 2whs s ILE 4 Ca -0.12 -1.00 -0.05 0.00 0.00 0.00 0.00 60.65 59.47 2whs s ILE 4 Cb 0.19 -2.83 0.04 0.00 0.01 0.00 0.00 42.46 39.87 2whs s ILE 4 CO 0.79 0.03 0.95 0.00 0.00 0.00 0.00 174.94 176.71 2whs s ALA 5 N 1.38 3.31 0.53 9.38 0.00 -1.26 -4.97 121.76 130.13 2whs s ALA 5 Ca -0.00 -0.94 0.40 0.00 0.00 0.00 0.00 51.96 51.41 2whs s ALA 5 Cb -0.18 -2.52 2.09 0.00 0.00 0.00 0.00 23.12 22.51 2whs s ALA 5 CO -0.00 -1.10 2.26 0.87 0.00 0.00 0.00 175.76 177.79 2whs h LYS 6 N -0.40 0.00 -3.79 0.00 1.57 -1.96 -3.40 116.57 108.59 2whs h LYS 6 Ca -0.44 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 57.93 2whs h LYS 6 Cb 1.30 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.25 2whs h LYS 6 CO 0.59 0.01 -0.76 -1.14 -0.57 0.00 0.00 179.45 177.58 2whs s GLN 7 N -4.12 0.60 0.09 3.15 2.00 -1.26 -4.11 119.66 116.01 2whs s GLN 7 Ca -0.04 0.04 0.02 0.00 -2.00 0.00 0.00 55.36 53.38 2whs s GLN 7 Cb 0.12 -0.82 -0.04 0.00 0.80 0.00 0.00 33.01 33.07 2whs s GLN 7 CO 0.47 -0.20 -0.06 -1.64 -0.50 0.00 0.00 175.29 173.35 2whs s MET 8 N 1.47 0.81 0.47 1.67 -1.94 -0.74 -5.01 119.30 116.02 2whs s MET 8 Ca -0.03 -1.31 0.04 0.00 -1.71 0.00 0.00 55.69 52.68 2whs s MET 8 Cb -0.13 -0.18 -0.04 0.00 2.01 0.00 0.00 34.83 36.49 2whs s MET 8 CO -0.03 -0.02 0.05 0.95 -0.01 0.00 0.00 175.02 175.96 2whs s THR 9 N -3.59 1.62 0.21 2.05 -4.23 -0.25 -1.89 115.64 109.56 2whs s THR 9 Ca 0.11 -1.93 -0.14 0.00 -1.18 0.00 0.00 61.69 58.55 2whs s THR 9 Cb 0.05 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.35 2whs s THR 9 CO -0.05 0.00 0.48 -0.72 -0.54 0.00 0.00 174.62 173.79 2whs s TYR 10 N -2.78 0.15 -0.07 3.99 -0.85 -0.23 -1.25 117.35 116.31 2whs s TYR 10 Ca 0.22 -0.51 0.03 0.00 -0.52 0.00 0.00 57.07 56.29 2whs s TYR 10 Cb 0.05 0.26 0.01 0.00 0.38 0.00 0.00 41.96 42.65 2whs s TYR 10 CO 0.12 -0.93 -0.15 0.21 -1.52 0.00 0.00 175.55 173.28 2whs s LYS 11 N -3.95 1.93 -0.05 -3.49 2.47 0.01 -1.35 119.74 115.32 2whs s LYS 11 Ca 0.16 -0.51 0.06 0.00 -1.56 0.00 0.00 55.97 54.11 2whs s LYS 11 Cb -0.00 -1.56 -0.01 0.00 -1.46 0.00 0.00 37.83 34.79 2whs s LYS 11 CO 0.03 0.07 -0.22 0.54 0.16 0.00 0.00 175.35 175.93 2whs s VAL 12 N 0.55 1.83 -0.19 4.02 0.11 -0.54 0.20 120.40 126.37 2whs s VAL 12 Ca -0.14 -0.95 -0.00 0.00 -2.93 0.00 0.00 61.98 57.95 2whs s VAL 12 Cb -0.16 -1.55 0.01 0.00 -1.53 0.00 0.00 36.38 33.16 2whs s VAL 12 CO 0.04 0.51 -0.15 -0.31 -3.33 0.00 0.00 175.10 171.87 2whs s TYR 13 N -0.16 2.83 0.01 1.54 1.51 0.23 -1.21 117.35 122.10 2whs s TYR 13 Ca -0.02 -1.44 0.08 0.00 -1.01 0.00 0.00 57.07 54.69 2whs s TYR 13 Cb -0.12 -1.97 -0.02 0.00 -0.11 0.00 0.00 41.96 39.73 2whs s TYR 13 CO 0.03 -0.73 -0.25 1.41 -1.11 0.00 0.00 175.55 174.89 2whs s MET 14 N 1.34 1.87 0.04 -0.62 1.75 0.92 -0.03 119.30 124.57 2whs s MET 14 Ca 0.05 -0.98 -0.04 0.00 -1.25 0.00 0.00 55.69 53.47 2whs s MET 14 Cb -0.13 -1.92 -0.02 0.00 2.84 0.00 0.00 34.83 35.60 2whs s MET 14 CO -0.10 0.51 0.06 -1.54 -0.65 0.00 0.00 175.02 173.30 2whs s SER 15 N -0.89 0.24 0.00 1.11 1.04 -0.28 -0.77 113.70 114.15 2whs s SER 15 Ca 0.10 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.90 2whs s SER 15 Cb -0.10 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2whs s SER 15 CO 0.00 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.32 2whs n GLY 16 N 0.68 -1.62 3.02 7.32 0.00 -0.76 -1.52 105.19 112.30 2whs n GLY 16 Ca -0.18 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.46 2whs n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2whs s THR 17 N -2.73 1.15 -0.19 2.61 2.01 -0.73 -1.02 115.64 116.75 2whs s THR 17 Ca 0.00 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.53 2whs s THR 17 Cb 0.00 -1.06 0.04 0.00 0.01 0.00 0.00 72.50 71.50 2whs s THR 17 CO 0.00 0.36 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.52 2whs s VAL 18 N 0.75 1.42 -1.53 3.82 1.01 -0.62 -0.89 120.40 124.36 2whs s VAL 18 Ca -0.13 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 60.87 2whs s VAL 18 Cb -0.16 -1.56 0.07 0.00 0.00 0.00 0.00 36.38 34.74 2whs s VAL 18 CO 0.03 0.12 0.70 0.59 0.00 0.00 0.00 175.10 176.53 2whs n ASN 19 N 4.76 -2.43 0.00 3.32 4.13 0.94 -2.07 115.26 123.91 2whs n ASN 19 Ca -0.13 -0.94 0.00 0.00 1.68 0.00 0.00 54.58 55.19 2whs n ASN 19 Cb 0.47 -3.25 0.00 0.00 -1.54 0.00 0.00 39.78 35.46 2whs n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2whs n GLY 20 N -1.68 1.56 3.61 7.41 0.00 -1.26 -5.00 105.19 109.82 2whs n GLY 20 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 2whs n GLY 20 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2whs s HIS 21 N -3.62 3.26 0.07 1.61 5.04 -0.88 -5.04 115.29 115.73 2whs s HIS 21 Ca 0.00 0.64 -0.23 0.00 -1.54 0.00 0.00 55.06 53.93 2whs s HIS 21 Cb 0.00 -2.76 -0.06 0.00 0.04 0.00 0.00 32.58 29.79 2whs s HIS 21 CO 0.00 -0.31 0.70 -0.47 -2.34 0.00 0.00 174.74 172.31 2whs s TYR 22 N 2.36 3.78 0.18 3.88 5.04 -1.26 -1.59 117.35 129.74 2whs s TYR 22 Ca 0.22 1.42 -0.10 0.00 -2.44 0.00 0.00 57.07 56.17 2whs s TYR 22 Cb -0.16 -2.70 -0.01 0.00 0.35 0.00 0.00 41.96 39.45 2whs s TYR 22 CO 0.09 0.41 0.32 -0.59 -1.34 0.00 0.00 175.55 174.44 2whs s PHE 23 N -0.57 0.40 0.00 4.97 -0.12 -0.19 -4.18 117.98 118.29 2whs s PHE 23 Ca 0.34 -0.75 0.01 0.00 -0.05 0.00 0.00 56.93 56.49 2whs s PHE 23 Cb -0.21 -0.02 -0.01 0.00 -0.63 0.00 0.00 43.02 42.16 2whs s PHE 23 CO 0.22 -0.76 -0.05 -1.21 -0.05 0.00 0.00 175.22 173.37 2whs s GLU 24 N -3.98 0.38 -0.02 1.99 2.02 -0.73 -1.83 118.70 116.53 2whs s GLU 24 Ca 0.18 -0.26 0.04 0.00 0.02 0.00 0.00 54.97 54.95 2whs s GLU 24 Cb 0.03 -0.33 -0.01 0.00 0.10 0.00 0.00 34.13 33.92 2whs s GLU 24 CO 0.02 0.08 -0.15 0.08 0.02 0.00 0.00 175.26 175.31 2whs s VAL 25 N -0.34 1.22 -0.04 2.63 1.01 0.05 -0.58 120.40 124.35 2whs s VAL 25 Ca -0.01 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.41 2whs s VAL 25 Cb -0.03 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 2whs s VAL 25 CO -0.00 0.35 -0.25 -1.61 0.00 0.00 0.00 175.10 173.59 2whs s GLU 26 N -0.17 2.21 0.04 2.72 2.02 -0.54 -0.06 118.70 124.93 2whs s GLU 26 Ca 0.02 -0.88 0.04 0.00 0.02 0.00 0.00 54.97 54.17 2whs s GLU 26 Cb -0.08 -2.01 -0.02 0.00 0.10 0.00 0.00 34.13 32.12 2whs s GLU 26 CO 0.00 0.46 -0.11 0.20 0.02 0.00 0.00 175.26 175.83 2whs s GLY 27 N -0.39 0.65 -0.21 -1.39 0.00 -0.35 -1.13 107.32 104.50 2whs s GLY 27 Ca 0.04 -0.76 -0.03 0.00 0.00 0.00 0.00 44.72 43.97 2whs s GLY 27 CO 0.01 -0.76 -0.06 0.99 0.00 0.00 0.00 173.10 173.28 2whs s ASP 28 N -1.22 4.20 0.40 1.64 1.01 -0.27 -1.47 116.67 120.96 2whs s ASP 28 Ca -0.02 -0.40 0.07 0.00 0.71 0.00 0.00 52.55 52.91 2whs s ASP 28 Cb -0.08 -1.71 -0.07 0.00 1.01 0.00 0.00 42.92 42.07 2whs s ASP 28 CO 0.01 -0.01 0.07 -0.83 0.21 0.00 0.00 175.17 174.62 2whs s GLY 29 N 1.39 2.39 0.13 0.21 0.00 -0.46 -0.56 107.32 110.43 2whs s GLY 29 Ca 0.05 -2.20 -0.18 0.00 0.00 0.00 0.00 44.72 42.39 2whs s GLY 29 CO -0.04 -2.01 0.47 -1.59 0.00 0.00 0.00 173.10 169.93 2whs s LYS 30 N -3.78 1.12 0.00 2.90 -2.85 -0.17 -1.06 119.74 115.90 2whs s LYS 30 Ca 0.37 -0.60 0.00 0.00 -1.00 0.00 0.00 55.97 54.74 2whs s LYS 30 Cb 0.06 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.34 2whs s LYS 30 CO 0.20 -0.45 0.00 0.41 0.10 0.00 0.00 175.35 175.61 2whs n GLY 31 N -0.20 -1.14 3.03 0.59 0.00 -0.79 -0.48 105.19 106.19 2whs n GLY 31 Ca -0.17 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 2whs n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2whs s LYS 32 N -1.29 1.64 0.53 1.61 1.02 -0.35 -1.80 119.74 121.11 2whs s LYS 32 Ca 0.00 -1.77 0.28 0.00 0.02 0.00 0.00 55.97 54.51 2whs s LYS 32 Cb 0.00 -3.14 1.51 0.00 -0.52 0.00 0.00 37.83 35.68 2whs s LYS 32 CO 0.00 -0.86 2.09 -1.35 -0.92 0.00 0.00 175.35 174.31 2whs h PRO 33 N 7.64 0.00 0.00 -1.68 0.11 -1.79 -2.16 132.00 134.12 2whs h PRO 33 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2whs h PRO 33 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2whs h PRO 33 CO 0.51 0.10 -0.59 0.66 -0.21 0.00 0.00 178.00 178.46 2whs n TYR 34 N -3.61 0.57 0.25 0.65 4.01 -1.26 -3.98 117.16 113.78 2whs n TYR 34 Ca -0.02 0.17 0.11 0.00 -0.16 0.00 0.00 57.90 58.00 2whs n TYR 34 Cb 0.22 -0.67 -0.06 0.00 -0.31 0.00 0.00 39.34 38.52 2whs n TYR 34 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2whs n GLU 35 N -2.11 0.50 -1.46 -0.72 -0.58 -0.93 -4.64 120.64 110.69 2whs n GLU 35 Ca 0.03 -0.04 -0.04 0.00 -0.42 0.00 0.00 57.16 56.69 2whs n GLU 35 Cb 0.44 -1.63 -0.01 0.00 -0.57 0.00 0.00 31.44 29.67 2whs n GLU 35 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2whs n GLY 36 N 1.28 0.52 3.42 0.62 0.00 -0.86 -4.66 105.19 105.51 2whs n GLY 36 Ca -0.01 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 2whs n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2whs s GLU 37 N -3.02 2.69 0.14 1.61 2.02 -1.18 -1.44 118.70 119.53 2whs s GLU 37 Ca 0.00 -0.73 -0.17 0.00 0.02 0.00 0.00 54.97 54.09 2whs s GLU 37 Cb 0.00 -2.39 0.04 0.00 0.10 0.00 0.00 34.13 31.88 2whs s GLU 37 CO 0.00 0.50 0.45 1.14 0.02 0.00 0.00 175.26 177.37 2whs s GLN 38 N -0.41 1.16 0.05 1.61 -2.07 -0.88 -1.21 119.66 117.91 2whs s GLN 38 Ca 0.04 -0.71 0.01 0.00 -1.82 0.00 0.00 55.36 52.88 2whs s GLN 38 Cb -0.12 0.49 -0.03 0.00 -1.09 0.00 0.00 33.01 32.26 2whs s GLN 38 CO 0.02 -0.47 -0.05 -0.08 -1.32 0.00 0.00 175.29 173.39 2whs s THR 39 N -3.81 0.40 -0.04 3.63 -1.32 0.37 -1.69 115.64 113.19 2whs s THR 39 Ca 0.04 -1.39 -0.03 0.00 -1.21 0.00 0.00 61.69 59.10 2whs s THR 39 Cb 0.01 -0.96 0.01 0.00 -1.51 0.00 0.00 72.50 70.05 2whs s THR 39 CO -0.10 -0.65 0.09 0.54 -2.21 0.00 0.00 174.62 172.29 2whs s VAL 40 N -2.45 -0.01 -0.18 5.08 0.11 -0.31 -1.00 120.40 121.65 2whs s VAL 40 Ca -0.03 0.05 -0.04 0.00 -2.93 0.00 0.00 61.98 59.02 2whs s VAL 40 Cb -0.03 -0.14 -0.03 0.00 -1.53 0.00 0.00 36.38 34.65 2whs s VAL 40 CO -0.03 0.02 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.20 2whs s LYS 41 N 0.30 3.66 0.15 1.54 1.02 0.28 -1.62 119.74 125.07 2whs s LYS 41 Ca -0.02 -0.51 0.09 0.00 0.02 0.00 0.00 55.97 55.55 2whs s LYS 41 Cb -0.03 -3.01 -0.04 0.00 -0.52 0.00 0.00 37.83 34.23 2whs s LYS 41 CO -0.01 0.13 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.87 2whs s LEU 42 N 0.67 2.72 -0.04 3.17 2.01 0.81 -1.12 118.68 126.89 2whs s LEU 42 Ca -0.01 -0.62 0.01 0.00 0.01 0.00 0.00 54.13 53.52 2whs s LEU 42 Cb -0.14 -1.50 0.02 0.00 0.01 0.00 0.00 46.19 44.58 2whs s LEU 42 CO 0.02 0.15 -0.06 -0.89 1.01 0.00 0.00 176.35 176.58 2whs s THR 43 N -1.39 0.61 -0.29 5.49 2.01 -0.29 -2.27 115.64 119.52 2whs s THR 43 Ca 0.20 -0.18 -0.29 0.00 0.31 0.00 0.00 61.69 61.73 2whs s THR 43 Cb -0.10 -0.61 0.00 0.00 0.01 0.00 0.00 72.50 71.81 2whs s THR 43 CO 0.11 0.23 1.23 -0.69 -0.69 0.00 0.00 174.62 174.81 2whs s VAL 44 N 0.79 4.27 -0.15 3.82 1.01 -0.15 -1.46 120.40 128.52 2whs s VAL 44 Ca -0.11 1.45 0.15 0.00 0.00 0.00 0.00 61.98 63.47 2whs s VAL 44 Cb -0.14 -4.22 -0.24 0.00 0.00 0.00 0.00 36.38 31.78 2whs s VAL 44 CO 0.01 -0.45 0.26 0.35 0.00 0.00 0.00 175.10 175.27 2whs n THR 45 N 6.02 1.48 -4.14 3.92 -2.24 0.25 -4.81 114.28 114.77 2whs n THR 45 Ca 0.14 -0.82 -0.15 0.00 -2.27 0.00 0.00 64.05 60.94 2whs n THR 45 Cb 0.47 -0.72 -0.12 0.00 -2.10 0.00 0.00 70.33 67.85 2whs n THR 45 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2whs s LYS 46 N -2.53 0.62 -1.15 -0.78 1.02 -1.08 -4.89 119.74 110.95 2whs s LYS 46 Ca -0.09 -0.70 0.00 0.00 0.02 0.00 0.00 55.97 55.19 2whs s LYS 46 Cb 0.07 -0.49 0.00 0.00 -0.52 0.00 0.00 37.83 36.89 2whs s LYS 46 CO 0.82 0.11 0.00 0.41 -0.92 0.00 0.00 175.35 175.76 2whs n GLY 47 N 1.73 0.82 3.93 -3.33 0.00 -1.26 -1.77 105.19 105.31 2whs n GLY 47 Ca -0.20 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 2whs n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2whs s GLY 48 N -2.75 1.67 0.60 -0.02 0.00 -1.26 -3.93 107.32 101.63 2whs s GLY 48 Ca 0.00 -0.84 -0.18 0.00 0.00 0.00 0.00 44.72 43.70 2whs s GLY 48 CO 0.00 -0.79 1.17 2.56 0.00 0.00 0.00 173.10 176.04 2whs s PRO 49 N -3.60 2.99 0.25 2.90 0.04 -1.26 -5.12 135.00 131.20 2whs s PRO 49 Ca 0.39 1.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.83 2whs s PRO 49 Cb -0.11 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 2whs s PRO 49 CO 0.30 -1.16 1.05 -0.51 0.04 0.00 0.00 177.00 176.72 2whs s LEU 50 N -4.20 4.57 -0.10 -3.56 1.43 -1.25 -4.95 118.68 110.62 2whs s LEU 50 Ca 0.74 2.14 0.07 0.00 -1.03 0.00 0.00 54.13 56.06 2whs s LEU 50 Cb -0.27 -3.62 0.38 0.00 0.03 0.00 0.00 46.19 42.71 2whs s LEU 50 CO 0.33 -0.06 1.11 -0.81 0.23 0.00 0.00 176.35 177.15 2whs n PRO 51 N 1.46 2.71 -4.13 1.29 -0.04 -1.26 -4.90 135.00 130.13 2whs n PRO 51 Ca -0.01 -1.45 -0.11 0.00 -0.04 0.00 0.00 63.50 61.90 2whs n PRO 51 Cb 0.46 -1.79 -0.09 0.00 -0.04 0.00 0.00 33.50 32.04 2whs n PRO 51 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2whs s PHE 52 N -1.79 0.88 0.06 0.54 -0.12 -1.26 -4.66 117.98 111.63 2whs s PHE 52 Ca 0.25 -1.19 -0.32 0.00 -0.05 0.00 0.00 56.93 55.63 2whs s PHE 52 Cb 0.19 -0.40 -0.11 0.00 -0.63 0.00 0.00 43.02 42.07 2whs s PHE 52 CO 0.08 -0.64 1.86 0.00 -0.05 0.00 0.00 175.22 176.47 2whs n ALA 53 N -0.21 1.69 -0.32 1.99 0.00 0.51 -4.89 120.51 119.28 2whs n ALA 53 Ca -0.02 0.30 0.19 0.00 0.00 0.00 0.00 53.44 53.90 2whs n ALA 53 Cb 0.64 -2.57 0.44 0.00 0.00 0.00 0.00 19.45 17.96 2whs n ALA 53 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2whs h TRP 54 N 8.94 0.79 -0.38 0.00 2.91 -1.95 -2.91 115.95 123.35 2whs h TRP 54 Ca -0.48 0.03 0.11 0.00 1.13 0.00 0.00 58.89 59.68 2whs h TRP 54 Cb 1.24 -0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 29.64 2whs h TRP 54 CO 0.83 0.13 0.33 -0.44 -1.03 0.00 0.00 178.44 178.27 2whs h ASP 55 N 0.52 0.00 1.00 2.65 3.32 -1.94 0.63 116.42 122.60 2whs h ASP 55 Ca 0.57 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.62 2whs h ASP 55 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2whs h ASP 55 CO -0.32 0.00 0.00 0.16 -1.72 0.00 0.00 179.24 177.36 2whs h ILE 56 N 0.00 0.00 0.02 0.35 3.07 -1.91 -3.17 117.51 115.86 2whs h ILE 56 Ca 0.18 -0.41 -0.33 0.00 1.55 0.00 0.00 64.86 65.86 2whs h ILE 56 Cb 0.85 1.28 -0.05 0.00 -0.27 0.00 0.00 36.82 38.63 2whs h ILE 56 CO -0.00 0.00 -1.95 0.18 -1.05 0.00 0.00 178.15 175.33 2whs n LEU 57 N -2.59 1.07 -0.30 0.16 4.77 0.20 -4.56 117.00 115.76 2whs n LEU 57 Ca 0.02 0.26 0.07 0.00 -0.03 0.00 0.00 56.01 56.33 2whs n LEU 57 Cb 0.30 -0.02 0.29 0.00 -2.33 0.00 0.00 43.42 41.66 2whs n LEU 57 CO 0.24 0.52 1.23 0.77 -1.33 0.00 0.00 177.39 178.83 2whs h SER 58 N 0.01 0.82 0.19 -1.43 4.64 -1.49 -0.53 113.55 115.75 2whs h SER 58 Ca -0.38 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2whs h SER 58 Cb 2.06 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 64.01 2whs h SER 58 CO 0.06 0.48 0.00 -2.65 -0.87 0.00 0.00 176.83 173.85 2whs n PRO 59 N -4.54 0.53 0.01 4.77 -0.02 -1.26 -2.55 135.00 131.94 2whs n PRO 59 Ca 0.16 0.04 0.11 0.00 -2.02 0.00 0.00 63.50 61.78 2whs n PRO 59 Cb 0.32 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.29 2whs n PRO 59 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2whs n GLN 60 N -1.13 0.11 -1.34 -0.52 1.13 -0.21 -4.82 117.38 110.58 2whs n GLN 60 Ca 0.14 -0.01 -0.26 0.00 -1.94 0.00 0.00 57.00 54.93 2whs n GLN 60 Cb 0.12 -1.52 -0.00 0.00 0.11 0.00 0.00 30.24 28.95 2whs n GLN 60 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2whs n LEU 61 N -1.65 6.72 0.00 1.08 4.77 -1.06 -4.96 117.00 121.91 2whs n LEU 61 Ca 0.03 -3.95 0.00 0.00 -0.03 0.00 0.00 56.01 52.07 2whs n LEU 61 Cb 0.37 -1.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.32 2whs n LEU 61 CO 0.41 1.56 0.00 -0.24 -1.33 0.00 0.00 177.39 177.79 2whs n SER 65 N 0.38 0.00 0.21 -1.43 2.88 -1.26 -5.02 113.62 109.37 2whs n SER 65 Ca 0.45 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 58.05 2whs n SER 65 Cb 0.54 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.45 2whs n SER 65 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2whs h ILE 66 N 0.00 0.97 0.00 2.46 2.04 -2.00 -2.74 117.51 118.24 2whs h ILE 66 Ca 0.00 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.72 2whs h ILE 66 Cb 0.00 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2whs h ILE 66 CO 0.00 0.30 0.06 -2.65 0.00 0.00 0.00 178.15 175.86 2whs n PRO 67 N -3.82 0.04 -0.19 2.37 -0.02 -1.26 -2.00 135.00 130.13 2whs n PRO 67 Ca -0.01 0.50 0.04 0.00 -2.02 0.00 0.00 63.50 62.01 2whs n PRO 67 Cb 0.39 -1.68 0.12 0.00 -0.02 0.00 0.00 33.50 32.31 2whs n PRO 67 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2whs n PHE 68 N -1.68 0.47 -3.03 6.00 3.01 -1.04 -4.71 117.46 116.48 2whs n PHE 68 Ca -0.00 -0.20 -0.40 0.00 1.01 0.00 0.00 57.45 57.86 2whs n PHE 68 Cb 0.07 -0.07 -0.05 0.00 -0.01 0.00 0.00 39.48 39.42 2whs n PHE 68 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2whs s THR 69 N -1.64 5.03 -0.22 4.37 2.01 -0.85 -3.19 115.64 121.16 2whs s THR 69 Ca 0.18 1.47 -0.29 0.00 0.31 0.00 0.00 61.69 63.36 2whs s THR 69 Cb 0.11 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 2whs s THR 69 CO 0.10 0.24 1.31 -0.75 -0.69 0.00 0.00 174.62 174.84 2whs s LYS 70 N 0.86 4.08 -0.07 4.92 2.20 -0.50 -4.74 119.74 126.49 2whs s LYS 70 Ca 0.38 1.52 -0.03 0.00 -0.36 0.00 0.00 55.97 57.48 2whs s LYS 70 Cb -0.18 -3.83 -0.04 0.00 -1.51 0.00 0.00 37.83 32.27 2whs s LYS 70 CO 0.18 -0.91 0.09 0.71 -0.36 0.00 0.00 175.35 175.06 2whs s TYR 71 N 3.97 3.37 0.64 4.03 1.51 -1.26 -0.93 117.35 128.68 2whs s TYR 71 Ca 0.57 0.32 -0.14 0.00 -1.01 0.00 0.00 57.07 56.81 2whs s TYR 71 Cb -0.20 -1.82 -0.01 0.00 -0.11 0.00 0.00 41.96 39.81 2whs s TYR 71 CO 0.19 0.60 1.07 -1.25 -1.11 0.00 0.00 175.55 175.05 2whs s PRO 72 N -1.28 3.08 0.51 -1.71 0.05 -1.26 -4.94 135.00 129.45 2whs s PRO 72 Ca 0.18 1.16 0.33 0.00 0.05 0.00 0.00 61.00 62.73 2whs s PRO 72 Cb -0.12 -2.00 1.46 0.00 0.05 0.00 0.00 34.50 33.89 2whs s PRO 72 CO 0.08 -1.00 1.99 0.93 0.05 0.00 0.00 177.00 179.05 2whs h GLU 73 N -0.01 0.00 -0.01 4.56 5.08 -2.02 -2.28 114.58 119.90 2whs h GLU 73 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2whs h GLU 73 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2whs h GLU 73 CO 0.56 0.00 -0.28 -0.40 -1.00 0.00 0.00 179.01 177.89 2whs n ASP 74 N -2.92 1.18 -4.27 1.42 5.75 -1.26 -4.71 116.55 111.73 2whs n ASP 74 Ca 0.00 -1.00 -0.36 0.00 -0.01 0.00 0.00 54.79 53.43 2whs n ASP 74 Cb 0.25 0.18 -0.13 0.00 -1.03 0.00 0.00 41.12 40.39 2whs n ASP 74 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2whs s ILE 75 N -2.48 3.47 0.16 2.12 1.01 -0.86 -4.97 121.20 119.65 2whs s ILE 75 Ca 0.24 -0.88 -0.34 0.00 0.00 0.00 0.00 60.65 59.67 2whs s ILE 75 Cb 0.19 -2.80 -0.14 0.00 0.01 0.00 0.00 42.46 39.73 2whs s ILE 75 CO 0.52 0.11 1.55 -2.65 0.00 0.00 0.00 174.94 174.48 2whs n PRO 76 N 4.77 2.10 -2.74 2.79 -0.02 -1.26 -4.63 135.00 136.01 2whs n PRO 76 Ca -0.15 0.76 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 2whs n PRO 76 Cb 0.47 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 2whs n PRO 76 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2whs s ASP 77 N 0.84 6.51 0.32 2.55 -1.08 -1.26 -4.45 116.67 120.11 2whs s ASP 77 Ca 0.78 -1.61 0.11 0.00 -0.52 0.00 0.00 52.55 51.31 2whs s ASP 77 Cb -0.69 -2.49 0.96 0.00 -1.46 0.00 0.00 42.92 39.24 2whs s ASP 77 CO 0.39 -1.33 1.69 0.22 0.52 0.00 0.00 175.17 176.65 2whs h TYR 78 N 9.39 0.88 0.02 -5.34 3.20 -1.90 -2.16 116.97 121.06 2whs h TYR 78 Ca 0.12 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 2whs h TYR 78 Cb 1.02 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.06 2whs h TYR 78 CO 1.20 -0.09 -0.12 0.74 -1.64 0.00 0.00 178.16 178.25 2whs h PHE 79 N 0.40 0.09 -0.82 -3.82 0.04 -1.93 -3.06 116.94 107.85 2whs h PHE 79 Ca 0.67 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 61.35 2whs h PHE 79 Cb 1.42 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 39.53 2whs h PHE 79 CO -0.04 0.99 0.38 0.87 -0.60 0.00 0.00 178.31 179.91 2whs h LYS 80 N -0.83 1.19 0.00 1.51 1.57 -1.86 -2.51 116.57 115.64 2whs h LYS 80 Ca -0.02 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2whs h LYS 80 Cb 1.04 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 2whs h LYS 80 CO 0.02 0.92 -0.02 1.96 -0.57 0.00 0.00 179.45 181.76 2whs h GLN 81 N 1.17 0.00 0.00 3.15 4.20 -1.46 -2.90 115.11 119.26 2whs h GLN 81 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 2whs h GLN 81 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2whs h GLN 81 CO -0.03 0.02 0.00 0.66 -0.67 0.00 0.00 178.83 178.81 2whs h SER 82 N 0.00 0.00 -3.83 1.46 4.64 -1.34 -3.45 113.55 111.03 2whs h SER 82 Ca -0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 2whs h SER 82 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2whs h SER 82 CO 0.00 0.00 0.18 -0.36 -0.87 0.00 0.00 176.83 175.79 2whs s PHE 83 N -3.49 3.45 -0.77 4.77 0.40 -1.10 -0.04 117.98 121.20 2whs s PHE 83 Ca 0.03 1.19 0.25 0.00 -0.60 0.00 0.00 56.93 57.79 2whs s PHE 83 Cb 0.09 -2.55 0.93 0.00 0.51 0.00 0.00 43.02 42.00 2whs s PHE 83 CO 0.45 -0.14 1.76 -0.35 0.70 0.00 0.00 175.22 177.63 2whs n PRO 84 N -1.22 0.15 -0.06 0.24 -0.04 -1.26 -4.84 135.00 127.97 2whs n PRO 84 Ca 0.04 0.22 -0.10 0.00 -0.04 0.00 0.00 63.50 63.62 2whs n PRO 84 Cb 0.54 -1.71 -0.03 0.00 -0.04 0.00 0.00 33.50 32.26 2whs n PRO 84 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2whs h GLU 85 N 0.00 0.31 0.00 0.54 3.07 -1.89 -3.38 114.58 113.23 2whs h GLU 85 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2whs h GLU 85 Cb 0.53 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 2whs h GLU 85 CO 0.00 0.22 0.00 0.41 -1.40 0.00 0.00 179.01 178.24 2whs n GLY 86 N -1.11 -1.78 3.56 -3.84 0.00 0.95 -4.73 105.19 98.23 2whs n GLY 86 Ca -0.03 -2.03 -0.09 0.00 0.00 0.00 0.00 46.02 43.87 2whs n GLY 86 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2whs s TYR 87 N 0.00 -0.09 0.33 1.61 -0.85 -1.18 -0.07 117.35 117.12 2whs s TYR 87 Ca 0.00 -0.27 0.10 0.00 -0.52 0.00 0.00 57.07 56.38 2whs s TYR 87 Cb 0.00 0.41 -0.06 0.00 0.38 0.00 0.00 41.96 42.69 2whs s TYR 87 CO 0.00 -0.96 -0.11 0.95 -1.52 0.00 0.00 175.55 173.92 2whs s THR 88 N -3.89 2.31 0.05 -3.49 -4.23 0.22 -0.56 115.64 106.06 2whs s THR 88 Ca 0.11 -2.23 -0.12 0.00 -1.18 0.00 0.00 61.69 58.27 2whs s THR 88 Cb -0.01 -2.59 0.01 0.00 1.34 0.00 0.00 72.50 71.25 2whs s THR 88 CO -0.01 -0.24 0.25 -1.66 -0.54 0.00 0.00 174.62 172.42 2whs s TRP 89 N -2.58 -0.02 -0.01 3.99 1.48 -0.72 -0.80 118.94 120.28 2whs s TRP 89 Ca 0.32 -0.18 0.06 0.00 -1.06 0.00 0.00 56.10 55.24 2whs s TRP 89 Cb 0.01 0.03 -0.02 0.00 -1.16 0.00 0.00 33.47 32.34 2whs s TRP 89 CO 0.16 -0.48 -0.20 -1.21 -4.06 0.00 0.00 176.95 171.16 2whs s GLU 90 N -2.70 1.58 -0.02 3.25 0.41 -0.74 -0.60 118.70 119.89 2whs s GLU 90 Ca -0.04 -0.74 -0.04 0.00 -0.41 0.00 0.00 54.97 53.74 2whs s GLU 90 Cb -0.00 -1.55 0.00 0.00 -1.78 0.00 0.00 34.13 30.80 2whs s GLU 90 CO -0.04 0.42 0.08 0.50 -0.49 0.00 0.00 175.26 175.73 2whs s ARG 91 N -0.56 0.25 -0.12 1.61 3.52 0.46 -1.11 118.95 123.01 2whs s ARG 91 Ca 0.08 -0.14 -0.00 0.00 -0.13 0.00 0.00 55.73 55.53 2whs s ARG 91 Cb -0.08 0.10 -0.02 0.00 -1.56 0.00 0.00 34.95 33.40 2whs s ARG 91 CO -0.00 -0.05 -0.12 -1.12 -0.81 0.00 0.00 175.30 173.20 2whs s SER 92 N -0.60 4.16 -0.23 -2.12 0.01 0.20 -0.16 113.70 114.95 2whs s SER 92 Ca -0.07 -0.26 -0.06 0.00 1.31 0.00 0.00 55.95 56.87 2whs s SER 92 Cb -0.04 -1.50 -0.02 0.00 0.21 0.00 0.00 66.02 64.67 2whs s SER 92 CO 0.00 0.20 0.03 -0.04 0.41 0.00 0.00 173.24 173.85 2whs s MET 93 N 0.13 3.59 -0.37 12.44 -1.94 0.54 -1.33 119.30 132.35 2whs s MET 93 Ca -0.05 -0.52 -0.00 0.00 -1.71 0.00 0.00 55.69 53.41 2whs s MET 93 Cb -0.15 -3.21 0.10 0.00 2.01 0.00 0.00 34.83 33.59 2whs s MET 93 CO 0.04 -0.15 0.13 -0.80 -0.01 0.00 0.00 175.02 174.23 2whs s ASN 94 N 1.47 5.04 0.45 3.03 0.01 0.93 -1.41 114.94 124.46 2whs s ASN 94 Ca 0.05 -2.02 -0.05 0.00 -0.71 0.00 0.00 52.86 50.14 2whs s ASN 94 Cb -0.15 -1.74 -0.04 0.00 0.41 0.00 0.00 41.25 39.73 2whs s ASN 94 CO 0.02 -0.46 0.76 -0.36 -1.51 0.00 0.00 177.10 175.54 2whs s PHE 95 N 1.06 3.54 0.32 2.20 0.08 -0.42 -0.96 117.98 123.81 2whs s PHE 95 Ca 0.08 0.79 0.35 0.00 0.12 0.00 0.00 56.93 58.28 2whs s PHE 95 Cb -0.21 -2.28 1.65 0.00 -0.57 0.00 0.00 43.02 41.61 2whs s PHE 95 CO -0.05 -0.21 2.10 1.05 -0.10 0.00 0.00 175.22 178.01 2whs h GLU 96 N 0.45 0.00 -0.69 0.44 4.11 -1.50 -1.71 114.58 115.67 2whs h GLU 96 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2whs h GLU 96 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2whs h GLU 96 CO 0.62 0.04 0.00 -0.40 0.07 0.00 0.00 179.01 179.34 2whs n ASP 97 N -3.21 3.48 0.00 3.06 5.68 -1.26 -4.91 116.55 119.39 2whs n ASP 97 Ca -0.01 -2.43 0.00 0.00 -0.50 0.00 0.00 54.79 51.85 2whs n ASP 97 Cb 0.24 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.67 2whs n ASP 97 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2whs n GLY 98 N 0.53 1.94 3.76 6.12 0.00 -0.64 -4.83 105.19 112.06 2whs n GLY 98 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2whs n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2whs s ALA 99 N -3.29 2.89 -0.02 4.61 0.00 -1.25 -4.85 121.76 119.86 2whs s ALA 99 Ca 0.00 1.27 0.01 0.00 0.00 0.00 0.00 51.96 53.24 2whs s ALA 99 Cb 0.00 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.60 2whs s ALA 99 CO 0.00 -1.22 -0.03 0.08 0.00 0.00 0.00 175.76 174.59 2whs s VAL 100 N -1.33 0.33 -0.05 0.00 1.01 -1.24 -1.30 120.40 117.82 2whs s VAL 100 Ca 0.69 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.65 2whs s VAL 100 Cb -0.39 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.63 2whs s VAL 100 CO 0.46 0.14 -0.24 0.00 0.00 0.00 0.00 175.10 175.46 2whs s THR 102 N -0.27 2.87 -0.01 0.00 -4.23 0.54 -0.34 115.64 114.21 2whs s THR 102 Ca -0.00 -0.79 0.05 0.00 -1.18 0.00 0.00 61.69 59.76 2whs s THR 102 Cb -0.13 -2.11 -0.01 0.00 1.34 0.00 0.00 72.50 71.59 2whs s THR 102 CO 0.03 0.59 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.85 2whs s VAL 103 N -0.68 1.22 0.11 2.29 1.01 0.78 -0.73 120.40 124.39 2whs s VAL 103 Ca 0.11 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.42 2whs s VAL 103 Cb -0.11 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2whs s VAL 103 CO 0.00 0.31 -0.10 -0.94 0.00 0.00 0.00 175.10 174.38 2whs s SER 104 N -0.45 1.47 -0.01 3.32 1.04 0.27 -0.40 113.70 118.95 2whs s SER 104 Ca 0.06 -0.87 -0.03 0.00 0.48 0.00 0.00 55.95 55.58 2whs s SER 104 Cb -0.06 0.02 -0.00 0.00 0.10 0.00 0.00 66.02 66.07 2whs s SER 104 CO -0.00 -0.30 0.07 0.21 0.98 0.00 0.00 173.24 174.20 2whs s ASN 105 N -2.65 0.03 -0.11 7.02 2.47 0.23 -0.94 114.94 121.00 2whs s ASN 105 Ca 0.08 -0.12 0.01 0.00 0.42 0.00 0.00 52.86 53.25 2whs s ASN 105 Cb -0.01 0.17 0.02 0.00 -1.45 0.00 0.00 41.25 39.98 2whs s ASN 105 CO -0.00 -0.20 -0.11 -0.62 -3.72 0.00 0.00 177.10 172.44 2whs s ASP 106 N -0.79 2.18 0.03 -4.21 -1.08 -0.55 -1.76 116.67 110.50 2whs s ASP 106 Ca -0.09 -0.34 0.08 0.00 -0.52 0.00 0.00 52.55 51.68 2whs s ASP 106 Cb -0.05 -0.92 -0.03 0.00 -1.46 0.00 0.00 42.92 40.46 2whs s ASP 106 CO 0.00 -0.06 -0.22 -0.44 0.52 0.00 0.00 175.17 174.98 2whs s SER 107 N 1.33 3.48 0.36 -0.34 0.01 0.28 -1.51 113.70 117.31 2whs s SER 107 Ca -0.01 -0.48 -0.08 0.00 1.31 0.00 0.00 55.95 56.69 2whs s SER 107 Cb -0.14 -0.47 0.03 0.00 0.21 0.00 0.00 66.02 65.65 2whs s SER 107 CO -0.05 0.27 0.61 -0.94 0.41 0.00 0.00 173.24 173.55 2whs s SER 108 N -1.22 0.54 0.06 2.44 1.04 -0.60 -3.08 113.70 112.89 2whs s SER 108 Ca 0.13 -1.35 0.02 0.00 0.48 0.00 0.00 55.95 55.23 2whs s SER 108 Cb -0.10 0.75 -0.03 0.00 0.10 0.00 0.00 66.02 66.74 2whs s SER 108 CO 0.03 -1.47 -0.07 -0.51 0.98 0.00 0.00 173.24 172.20 2whs s ILE 109 N -2.72 0.54 -0.32 -1.02 2.07 -1.26 -0.94 121.20 117.54 2whs s ILE 109 Ca 0.24 -1.32 -0.01 0.00 -1.41 0.00 0.00 60.65 58.15 2whs s ILE 109 Cb -0.02 -0.90 0.13 0.00 0.13 0.00 0.00 42.46 41.79 2whs s ILE 109 CO 0.17 -0.54 0.22 -1.58 -1.91 0.00 0.00 174.94 171.29 2whs s GLN 110 N -2.25 0.39 7.74 3.50 2.00 0.09 -4.91 119.66 126.23 2whs s GLN 110 Ca -0.04 -0.80 0.00 0.00 -2.00 0.00 0.00 55.36 52.52 2whs s GLN 110 Cb -0.05 -1.07 0.00 0.00 0.80 0.00 0.00 33.01 32.68 2whs s GLN 110 CO -0.01 -1.11 0.00 0.41 -0.50 0.00 0.00 175.29 174.07 2whs n GLY 111 N 4.70 3.31 1.34 2.59 0.00 -1.26 -1.81 105.19 114.06 2whs n GLY 111 Ca 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 2whs n GLY 111 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2whs n ASN 112 N 6.79 3.37 -3.77 1.61 5.03 -1.26 -4.86 115.26 122.16 2whs n ASN 112 Ca 0.00 -2.58 -0.21 0.00 0.87 0.00 0.00 54.58 52.66 2whs n ASN 112 Cb 0.00 -0.62 -0.17 0.00 -1.02 0.00 0.00 39.78 37.97 2whs n ASN 112 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2whs s PHE 114 N 1.69 3.27 -0.20 0.00 0.08 -0.38 -0.74 117.98 121.71 2whs s PHE 114 Ca 0.00 1.63 0.01 0.00 0.12 0.00 0.00 56.93 58.68 2whs s PHE 114 Cb -0.13 -2.94 0.03 0.00 -0.57 0.00 0.00 43.02 39.41 2whs s PHE 114 CO -0.03 -0.30 -0.17 0.42 -0.10 0.00 0.00 175.22 175.04 2whs s ILE 115 N -2.02 2.21 -0.11 0.64 1.01 -0.12 -0.80 121.20 122.01 2whs s ILE 115 Ca 0.62 -1.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 2whs s ILE 115 Cb -0.13 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 2whs s ILE 115 CO 0.17 0.41 -0.01 -0.31 0.00 0.00 0.00 174.94 175.21 2whs s TYR 116 N 1.27 3.12 -0.29 3.97 2.02 0.13 -1.56 117.35 126.01 2whs s TYR 116 Ca 0.02 0.05 0.02 0.00 -0.37 0.00 0.00 57.07 56.79 2whs s TYR 116 Cb -0.15 -1.86 0.08 0.00 -0.40 0.00 0.00 41.96 39.64 2whs s TYR 116 CO -0.10 0.30 0.01 1.21 -1.57 0.00 0.00 175.55 175.40 2whs s ASN 117 N -0.44 4.29 -0.14 2.29 3.84 -0.57 -0.60 114.94 123.61 2whs s ASN 117 Ca 0.08 -1.67 -0.04 0.00 0.21 0.00 0.00 52.86 51.44 2whs s ASN 117 Cb -0.12 -1.31 -0.03 0.00 -0.55 0.00 0.00 41.25 39.24 2whs s ASN 117 CO 0.02 -0.33 -0.01 -0.69 -2.79 0.00 0.00 177.10 173.31 2whs s VAL 118 N 1.23 4.18 -0.04 -5.21 1.01 0.95 -1.48 120.40 121.05 2whs s VAL 118 Ca 0.04 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 61.82 2whs s VAL 118 Cb -0.19 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 2whs s VAL 118 CO -0.11 0.53 -0.24 -0.54 0.00 0.00 0.00 175.10 174.73 2whs s LYS 119 N -0.06 2.21 -0.02 2.72 1.02 -0.11 -1.13 119.74 124.35 2whs s LYS 119 Ca 0.03 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.16 2whs s LYS 119 Cb -0.13 -1.99 0.02 0.00 -0.52 0.00 0.00 37.83 35.22 2whs s LYS 119 CO 0.02 0.44 0.00 -1.50 -0.92 0.00 0.00 175.35 173.40 2whs s ILE 120 N -0.35 0.14 -0.15 2.17 2.07 -0.58 -0.56 121.20 123.94 2whs s ILE 120 Ca 0.03 0.09 -0.00 0.00 -1.41 0.00 0.00 60.65 59.36 2whs s ILE 120 Cb -0.11 -0.23 0.03 0.00 0.13 0.00 0.00 42.46 42.28 2whs s ILE 120 CO 0.01 0.13 -0.10 -0.55 -1.91 0.00 0.00 174.94 172.52 2whs s SER 121 N 0.92 2.66 -0.21 4.50 0.15 0.09 -1.77 113.70 120.04 2whs s SER 121 Ca -0.09 -0.53 -0.01 0.00 0.70 0.00 0.00 55.95 56.03 2whs s SER 121 Cb -0.12 -1.02 0.06 0.00 -1.71 0.00 0.00 66.02 63.22 2whs s SER 121 CO -0.02 -0.12 -0.03 -0.83 1.20 0.00 0.00 173.24 173.45 2whs s GLY 122 N 1.58 1.06 0.54 9.45 0.00 -0.07 -0.34 107.32 119.54 2whs s GLY 122 Ca 0.03 -1.07 0.06 0.00 0.00 0.00 0.00 44.72 43.74 2whs s GLY 122 CO -0.09 1.07 0.44 -1.83 0.00 0.00 0.00 173.10 172.70 2whs s GLU 123 N 1.57 2.27 -1.13 2.90 -1.05 -1.07 -0.04 118.70 122.16 2whs s GLU 123 Ca -0.03 -1.96 0.00 0.00 -0.15 0.00 0.00 54.97 52.82 2whs s GLU 123 Cb -0.18 -2.16 0.00 0.00 -0.44 0.00 0.00 34.13 31.35 2whs s GLU 123 CO -0.07 -0.63 0.00 0.27 0.95 0.00 0.00 175.26 175.78 2whs n ASN 124 N -1.81 -3.85 -4.70 0.83 6.94 -1.26 -3.61 115.26 107.80 2whs n ASN 124 Ca 0.00 0.21 -0.42 0.00 -0.02 0.00 0.00 54.58 54.35 2whs n ASN 124 Cb 0.64 -3.33 -0.03 0.00 -2.36 0.00 0.00 39.78 34.70 2whs n ASN 124 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 2whs s PHE 125 N -2.53 3.31 0.07 -2.53 0.08 -1.26 -3.97 117.98 111.16 2whs s PHE 125 Ca 0.00 1.24 -0.32 0.00 0.12 0.00 0.00 56.93 57.97 2whs s PHE 125 Cb 0.00 -3.43 -0.12 0.00 -0.57 0.00 0.00 43.02 38.90 2whs s PHE 125 CO 0.00 -1.35 1.80 -2.30 -0.10 0.00 0.00 175.22 173.28 2whs n PRO 126 N 4.49 2.50 -0.06 0.24 -0.02 -1.26 -4.86 135.00 136.04 2whs n PRO 126 Ca 0.10 0.91 0.22 0.00 -2.02 0.00 0.00 63.50 62.71 2whs n PRO 126 Cb 0.46 -2.77 0.69 0.00 -0.02 0.00 0.00 33.50 31.86 2whs n PRO 126 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2whs h PRO 127 N 8.29 0.02 -0.64 0.52 0.11 -1.98 0.25 132.00 138.58 2whs h PRO 127 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2whs h PRO 127 Cb 1.24 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2whs h PRO 127 CO 0.93 0.01 0.00 0.09 -0.21 0.00 0.00 178.00 178.83 2whs n ASN 128 N -4.35 3.85 -4.41 -2.05 3.02 -1.26 -4.41 115.26 105.65 2whs n ASN 128 Ca 0.12 -2.08 -0.29 0.00 -0.03 0.00 0.00 54.58 52.31 2whs n ASN 128 Cb 0.70 -0.45 0.17 0.00 -0.61 0.00 0.00 39.78 39.60 2whs n ASN 128 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2whs s GLY 129 N -1.00 1.62 0.45 7.41 0.00 0.08 -4.81 107.32 111.06 2whs s GLY 129 Ca 0.44 -0.75 0.22 0.00 0.00 0.00 0.00 44.72 44.63 2whs s GLY 129 CO 0.28 -0.07 1.92 -0.56 0.00 0.00 0.00 173.10 174.67 2whs h PRO 130 N -1.82 0.00 0.45 2.90 0.13 -1.94 -1.70 132.00 130.02 2whs h PRO 130 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2whs h PRO 130 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2whs h PRO 130 CO 0.50 0.23 -0.22 0.28 -0.23 0.00 0.00 178.00 178.56 2whs h VAL 131 N 0.00 0.16 0.00 1.56 2.07 -1.93 0.27 116.25 118.38 2whs h VAL 131 Ca -0.00 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 2whs h VAL 131 Cb 0.56 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2whs h VAL 131 CO 0.03 0.04 -0.07 0.24 0.02 0.00 0.00 177.57 177.83 2whs h MET 132 N -1.11 0.00 -0.03 1.57 2.86 -1.78 0.16 114.93 116.61 2whs h MET 132 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2whs h MET 132 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2whs h MET 132 CO 0.10 0.07 0.00 1.04 1.06 0.00 0.00 176.91 179.18 2whs n GLN 133 N -3.48 2.15 -3.60 1.72 1.13 -0.64 -4.60 117.38 110.07 2whs n GLN 133 Ca -0.02 -1.67 -0.20 0.00 -1.94 0.00 0.00 57.00 53.17 2whs n GLN 133 Cb 0.20 -1.47 0.05 0.00 0.11 0.00 0.00 30.24 29.14 2whs n GLN 133 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2whs n LYS 134 N 1.03 -5.29 -0.17 -1.09 5.02 -0.35 -4.91 118.16 112.40 2whs n LYS 134 Ca 0.15 0.70 0.09 0.00 -2.02 0.00 0.00 58.31 57.23 2whs n LYS 134 Cb 0.53 -5.40 0.18 0.00 -0.02 0.00 0.00 35.03 30.32 2whs n LYS 134 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2whs n LYS 135 N -4.19 2.26 -3.22 1.97 4.76 0.81 -4.99 118.16 115.57 2whs n LYS 135 Ca -0.29 -2.06 -0.31 0.00 -2.87 0.00 0.00 58.31 52.78 2whs n LYS 135 Cb 0.67 -1.40 -0.05 0.00 -1.84 0.00 0.00 35.03 32.41 2whs n LYS 135 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2whs s THR 136 N -1.22 4.86 -0.14 -0.18 -4.23 -1.25 0.41 115.64 113.90 2whs s THR 136 Ca 0.31 0.53 0.19 0.00 -1.18 0.00 0.00 61.69 61.54 2whs s THR 136 Cb 0.18 -3.66 0.44 0.00 1.34 0.00 0.00 72.50 70.80 2whs s THR 136 CO 0.25 -0.24 1.18 0.00 -0.54 0.00 0.00 174.62 175.26 2whs n GLN 137 N -0.59 1.15 0.00 3.99 6.02 0.15 -4.81 117.38 123.29 2whs n GLN 137 Ca 0.01 -2.87 0.00 0.00 -0.01 0.00 0.00 57.00 54.13 2whs n GLN 137 Cb 0.53 -0.99 0.00 0.00 1.02 0.00 0.00 30.24 30.81 2whs n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2whs n GLY 138 N -0.28 2.77 3.85 1.08 0.00 -1.26 -4.73 105.19 106.62 2whs n GLY 138 Ca 0.14 -1.92 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 2whs n GLY 138 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2whs s TRP 139 N -2.89 3.61 0.51 1.61 0.52 -1.26 -0.68 118.94 120.35 2whs s TRP 139 Ca 0.00 0.94 -0.19 0.00 0.02 0.00 0.00 56.10 56.87 2whs s TRP 139 Cb 0.00 -2.28 -0.07 0.00 -1.15 0.00 0.00 33.47 29.97 2whs s TRP 139 CO 0.00 0.48 1.04 -1.21 0.02 0.00 0.00 176.95 177.28 2whs s GLU 140 N -1.86 3.72 0.74 4.98 0.41 -0.46 -4.75 118.70 121.47 2whs s GLU 140 Ca 0.35 1.30 -0.15 0.00 -0.41 0.00 0.00 54.97 56.05 2whs s GLU 140 Cb -0.15 -2.09 0.03 0.00 -1.78 0.00 0.00 34.13 30.14 2whs s GLU 140 CO 0.18 -0.49 1.07 -0.35 -0.49 0.00 0.00 175.26 175.18 2whs n PRO 141 N -1.22 0.50 -4.01 0.39 -0.04 -1.26 -4.71 135.00 124.65 2whs n PRO 141 Ca 0.09 0.23 -0.10 0.00 -0.04 0.00 0.00 63.50 63.68 2whs n PRO 141 Cb 0.53 -2.32 -0.05 0.00 -0.04 0.00 0.00 33.50 31.61 2whs n PRO 141 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2whs s SER 142 N -1.74 0.10 -0.18 3.54 1.04 -0.64 -4.95 113.70 110.87 2whs s SER 142 Ca 0.75 -1.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.11 2whs s SER 142 Cb -0.33 0.61 0.05 0.00 0.10 0.00 0.00 66.02 66.44 2whs s SER 142 CO 0.49 -1.19 -0.01 -0.89 0.98 0.00 0.00 173.24 172.62 2whs s THR 143 N -3.76 0.87 0.18 2.02 2.01 -1.26 -1.15 115.64 114.55 2whs s THR 143 Ca 0.24 -0.61 -0.20 0.00 0.31 0.00 0.00 61.69 61.43 2whs s THR 143 Cb -0.01 -1.18 -0.08 0.00 0.01 0.00 0.00 72.50 71.24 2whs s THR 143 CO 0.11 -0.02 0.69 -0.70 -0.69 0.00 0.00 174.62 174.01 2whs s GLU 144 N 1.72 4.27 -0.16 4.92 2.12 -0.11 -4.58 118.70 126.88 2whs s GLU 144 Ca -0.00 0.86 -0.01 0.00 0.36 0.00 0.00 54.97 56.17 2whs s GLU 144 Cb -0.16 -3.00 -0.01 0.00 0.26 0.00 0.00 34.13 31.22 2whs s GLU 144 CO -0.07 0.47 -0.11 1.03 -0.54 0.00 0.00 175.26 176.04 2whs s ARG 145 N -1.71 3.35 -0.02 4.30 0.52 0.16 -1.30 118.95 124.25 2whs s ARG 145 Ca 0.39 -0.68 0.08 0.00 -0.52 0.00 0.00 55.73 55.00 2whs s ARG 145 Cb -0.18 -2.75 -0.02 0.00 0.52 0.00 0.00 34.95 32.52 2whs s ARG 145 CO 0.21 0.04 -0.26 -0.51 0.02 0.00 0.00 175.30 174.81 2whs s LEU 146 N 0.80 2.05 0.15 2.53 1.02 -0.03 -1.13 118.68 124.07 2whs s LEU 146 Ca -0.04 -0.47 -0.00 0.00 0.02 0.00 0.00 54.13 53.64 2whs s LEU 146 Cb -0.15 -1.33 -0.04 0.00 0.02 0.00 0.00 46.19 44.69 2whs s LEU 146 CO 0.01 0.31 0.06 0.72 0.02 0.00 0.00 176.35 177.47 2whs s PHE 147 N -0.56 1.00 -0.05 0.29 -0.12 -0.41 -1.45 117.98 116.67 2whs s PHE 147 Ca 0.09 -1.22 -0.12 0.00 -0.05 0.00 0.00 56.93 55.62 2whs s PHE 147 Cb -0.10 -0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 41.69 2whs s PHE 147 CO -0.01 -0.48 0.31 0.00 -0.05 0.00 0.00 175.22 174.99 2whs s ALA 148 N -3.99 3.75 -0.13 1.99 0.00 -1.26 -0.67 121.76 121.45 2whs s ALA 148 Ca 0.27 -0.38 -0.05 0.00 0.00 0.00 0.00 51.96 51.80 2whs s ALA 148 Cb 0.07 -2.25 0.06 0.00 0.00 0.00 0.00 23.12 21.01 2whs s ALA 148 CO 0.04 0.50 0.27 0.50 0.00 0.00 0.00 175.76 177.07 2whs s ARG 149 N -0.94 0.17 -1.48 0.00 3.52 0.18 -4.94 118.95 115.47 2whs s ARG 149 Ca 0.20 0.74 -0.10 0.00 -0.13 0.00 0.00 55.73 56.44 2whs s ARG 149 Cb -0.15 -0.03 0.06 0.00 -1.56 0.00 0.00 34.95 33.28 2whs s ARG 149 CO 0.09 -0.27 0.87 -0.25 -0.81 0.00 0.00 175.30 174.94 2whs n ASP 150 N 5.19 -3.53 0.00 -2.12 8.00 -1.26 -0.98 116.55 121.85 2whs n ASP 150 Ca -0.09 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.59 2whs n ASP 150 Cb 0.50 -3.80 0.00 0.00 -0.02 0.00 0.00 41.12 37.80 2whs n ASP 150 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2whs n GLY 151 N -1.67 0.68 3.66 0.44 0.00 -1.26 -5.00 105.19 102.04 2whs n GLY 151 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 2whs n GLY 151 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2whs s MET 152 N -0.26 2.36 -0.21 1.61 -1.94 -0.15 -4.64 119.30 116.06 2whs s MET 152 Ca 0.00 -1.27 -0.12 0.00 -1.71 0.00 0.00 55.69 52.59 2whs s MET 152 Cb 0.00 -2.26 -0.05 0.00 2.01 0.00 0.00 34.83 34.53 2whs s MET 152 CO 0.00 0.40 0.20 -0.51 -0.01 0.00 0.00 175.02 175.11 2whs s LEU 153 N -3.36 4.18 -0.21 -0.03 1.02 -0.72 -0.64 118.68 118.91 2whs s LEU 153 Ca 0.29 0.27 -0.07 0.00 0.02 0.00 0.00 54.13 54.65 2whs s LEU 153 Cb -0.08 -2.20 -0.03 0.00 0.02 0.00 0.00 46.19 43.90 2whs s LEU 153 CO 0.19 0.09 0.05 -0.63 0.02 0.00 0.00 176.35 176.08 2whs s ILE 154 N 0.74 4.43 0.06 -0.59 -1.09 0.16 0.12 121.20 125.03 2whs s ILE 154 Ca 0.11 -0.15 0.07 0.00 -2.23 0.00 0.00 60.65 58.45 2whs s ILE 154 Cb -0.13 -3.02 -0.04 0.00 -1.58 0.00 0.00 42.46 37.69 2whs s ILE 154 CO 0.03 0.40 -0.14 -0.83 -1.23 0.00 0.00 174.94 173.17 2whs s GLY 155 N 1.00 1.68 -0.03 6.18 0.00 0.34 -1.29 107.32 115.21 2whs s GLY 155 Ca 0.03 -1.20 0.01 0.00 0.00 0.00 0.00 44.72 43.56 2whs s GLY 155 CO 0.03 -1.13 -0.05 -1.31 0.00 0.00 0.00 173.10 170.64 2whs s ASN 156 N -1.76 0.85 -0.03 1.64 0.01 -0.28 -1.56 114.94 113.80 2whs s ASN 156 Ca 0.17 -0.12 -0.02 0.00 -0.71 0.00 0.00 52.86 52.18 2whs s ASN 156 Cb -0.11 -0.31 0.01 0.00 0.41 0.00 0.00 41.25 41.25 2whs s ASN 156 CO 0.09 -0.01 0.07 -0.62 -1.51 0.00 0.00 177.10 175.12 2whs s ASP 157 N 0.52 -0.06 -0.34 -1.22 -1.08 -0.78 -0.66 116.67 113.05 2whs s ASP 157 Ca -0.07 0.14 -0.05 0.00 -0.52 0.00 0.00 52.55 52.06 2whs s ASP 157 Cb -0.10 0.12 0.06 0.00 -1.46 0.00 0.00 42.92 41.54 2whs s ASP 157 CO 0.00 -0.04 0.10 -0.31 0.52 0.00 0.00 175.17 175.44 2whs s TYR 158 N 0.20 3.31 0.26 -5.34 2.02 -1.26 -0.59 117.35 115.95 2whs s TYR 158 Ca -0.01 -1.71 0.07 0.00 -0.37 0.00 0.00 57.07 55.05 2whs s TYR 158 Cb -0.02 -2.40 -0.04 0.00 -0.40 0.00 0.00 41.96 39.10 2whs s TYR 158 CO -0.01 -0.80 0.19 -1.64 -1.57 0.00 0.00 175.55 171.73 2whs s MET 159 N 1.32 2.86 -0.06 -0.62 -1.94 0.89 -4.84 119.30 116.91 2whs s MET 159 Ca -0.01 -1.11 -0.03 0.00 -1.71 0.00 0.00 55.69 52.84 2whs s MET 159 Cb -0.20 -2.53 0.04 0.00 2.01 0.00 0.00 34.83 34.15 2whs s MET 159 CO 0.01 0.37 0.10 0.00 -0.01 0.00 0.00 175.02 175.49 2whs s ALA 160 N -2.17 0.06 -0.12 3.03 0.00 -1.26 -2.08 121.76 119.22 2whs s ALA 160 Ca 0.34 0.36 -0.23 0.00 0.00 0.00 0.00 51.96 52.42 2whs s ALA 160 Cb -0.08 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 2whs s ALA 160 CO 0.25 -0.51 0.69 -0.51 0.00 0.00 0.00 175.76 175.67 2whs s LEU 161 N 2.19 4.25 0.35 0.00 1.43 0.81 -1.35 118.68 126.35 2whs s LEU 161 Ca 0.04 1.07 -0.28 0.00 -1.03 0.00 0.00 54.13 53.92 2whs s LEU 161 Cb -0.12 -3.03 -0.10 0.00 0.03 0.00 0.00 46.19 42.97 2whs s LEU 161 CO -0.04 -0.19 1.37 -0.54 0.23 0.00 0.00 176.35 177.18 2whs s LYS 162 N 1.27 4.25 0.02 1.70 1.02 0.15 -0.72 119.74 127.44 2whs s LYS 162 Ca 0.35 2.34 0.04 0.00 0.02 0.00 0.00 55.97 58.72 2whs s LYS 162 Cb -0.17 -3.02 -0.03 0.00 -0.52 0.00 0.00 37.83 34.09 2whs s LYS 162 CO 0.15 -0.32 -0.08 -0.51 -0.92 0.00 0.00 175.35 173.67 2whs s LEU 163 N -1.93 3.13 0.16 3.17 1.43 -0.72 0.32 118.68 124.24 2whs s LEU 163 Ca 0.51 -0.20 -0.34 0.00 -1.03 0.00 0.00 54.13 53.07 2whs s LEU 163 Cb -0.42 -1.82 -0.14 0.00 0.03 0.00 0.00 46.19 43.84 2whs s LEU 163 CO 0.56 0.26 1.55 1.21 0.23 0.00 0.00 176.35 180.17 2whs n GLU 164 N 1.38 2.08 -2.01 1.70 2.13 0.17 -0.81 120.64 125.28 2whs n GLU 164 Ca -0.15 0.75 -0.13 0.00 0.66 0.00 0.00 57.16 58.29 2whs n GLU 164 Cb 0.52 -2.50 -0.02 0.00 0.27 0.00 0.00 31.44 29.71 2whs n GLU 164 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2whs n GLY 165 N 3.28 0.27 0.00 8.31 0.00 -1.26 -4.92 105.19 110.88 2whs n GLY 165 Ca 0.17 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2whs n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2whs n GLY 166 N -1.11 -1.10 0.00 -0.02 0.00 0.01 -5.11 105.19 97.86 2whs n GLY 166 Ca -0.15 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.25 2whs n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2whs n GLY 167 N -1.04 -0.91 3.17 -0.02 0.00 -1.26 -4.55 105.19 100.58 2whs n GLY 167 Ca 0.00 -1.65 -0.18 0.00 0.00 0.00 0.00 46.02 44.19 2whs n GLY 167 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2whs s HIS 168 N -2.13 1.21 -0.21 1.61 0.09 -1.26 -1.76 115.29 112.84 2whs s HIS 168 Ca 0.00 -0.47 -0.03 0.00 -0.00 0.00 0.00 55.06 54.56 2whs s HIS 168 Cb 0.00 -0.68 -0.01 0.00 -0.00 0.00 0.00 32.58 31.90 2whs s HIS 168 CO 0.00 0.06 -0.07 -0.47 -0.00 0.00 0.00 174.74 174.26 2whs s TYR 169 N -1.37 2.93 0.18 1.40 5.04 0.11 -4.94 117.35 120.71 2whs s TYR 169 Ca -0.01 -0.96 0.04 0.00 -2.44 0.00 0.00 57.07 53.70 2whs s TYR 169 Cb -0.09 -2.06 -0.04 0.00 0.35 0.00 0.00 41.96 40.12 2whs s TYR 169 CO 0.02 -0.53 0.24 -0.51 -1.34 0.00 0.00 175.55 173.44 2whs s LEU 170 N 1.33 4.10 -0.25 6.97 1.43 -1.26 -0.14 118.68 130.86 2whs s LEU 170 Ca 0.04 0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 53.01 2whs s LEU 170 Cb -0.14 -2.68 0.08 0.00 0.03 0.00 0.00 46.19 43.48 2whs s LEU 170 CO -0.03 0.02 0.61 0.00 0.23 0.00 0.00 176.35 177.18 2whs s GLU 172 N 1.65 4.40 -0.16 0.00 2.12 -0.13 -0.08 118.70 126.50 2whs s GLU 172 Ca -0.10 0.93 -0.06 0.00 0.36 0.00 0.00 54.97 56.10 2whs s GLU 172 Cb -0.06 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 2whs s GLU 172 CO -0.18 -0.06 0.06 -0.06 -0.54 0.00 0.00 175.26 174.49 2whs s PHE 173 N 1.21 3.29 -0.09 5.30 0.40 0.25 -0.05 117.98 128.29 2whs s PHE 173 Ca 0.38 0.16 0.03 0.00 -0.60 0.00 0.00 56.93 56.90 2whs s PHE 173 Cb -0.18 -2.01 0.01 0.00 0.51 0.00 0.00 43.02 41.35 2whs s PHE 173 CO 0.17 0.29 -0.18 0.15 0.70 0.00 0.00 175.22 176.36 2whs s LYS 174 N -0.04 2.41 0.01 0.44 1.02 -0.44 -1.87 119.74 121.27 2whs s LYS 174 Ca 0.06 -0.65 0.04 0.00 0.02 0.00 0.00 55.97 55.45 2whs s LYS 174 Cb -0.12 -1.92 -0.01 0.00 -0.52 0.00 0.00 37.83 35.25 2whs s LYS 174 CO 0.01 0.05 -0.12 -1.12 -0.92 0.00 0.00 175.35 173.25 2whs s SER 175 N 0.66 1.41 -0.18 2.83 0.01 -0.60 -0.63 113.70 117.19 2whs s SER 175 Ca -0.13 -0.31 0.01 0.00 1.31 0.00 0.00 55.95 56.83 2whs s SER 175 Cb -0.16 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 65.97 2whs s SER 175 CO 0.04 0.08 -0.17 -0.89 0.41 0.00 0.00 173.24 172.71 2whs s THR 176 N -0.52 1.91 -0.13 1.44 2.01 -0.26 -0.50 115.64 119.58 2whs s THR 176 Ca 0.03 -0.90 -0.06 0.00 0.31 0.00 0.00 61.69 61.07 2whs s THR 176 Cb -0.06 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 2whs s THR 176 CO 0.00 0.46 0.07 -0.31 -0.69 0.00 0.00 174.62 174.16 2whs s TYR 177 N 1.34 3.35 -0.24 4.92 2.02 0.12 -1.79 117.35 127.06 2whs s TYR 177 Ca 0.04 0.27 -0.02 0.00 -0.37 0.00 0.00 57.07 57.00 2whs s TYR 177 Cb -0.14 -1.95 0.08 0.00 -0.40 0.00 0.00 41.96 39.55 2whs s TYR 177 CO -0.12 0.45 0.05 0.21 -1.57 0.00 0.00 175.55 174.57 2whs s LYS 178 N -0.47 0.80 0.58 -0.62 2.20 0.02 -1.76 119.74 120.48 2whs s LYS 178 Ca 0.10 -0.74 -0.21 0.00 -0.36 0.00 0.00 55.97 54.77 2whs s LYS 178 Cb -0.12 -2.11 -0.04 0.00 -1.51 0.00 0.00 37.83 34.05 2whs s LYS 178 CO 0.02 -0.77 1.35 0.00 -0.36 0.00 0.00 175.35 175.59 2whs s ALA 179 N 1.71 2.69 -1.50 3.13 0.00 -1.26 -0.61 121.76 125.93 2whs s ALA 179 Ca 0.02 1.32 0.27 0.00 0.00 0.00 0.00 51.96 53.57 2whs s ALA 179 Cb -0.17 -3.57 1.39 0.00 0.00 0.00 0.00 23.12 20.77 2whs s ALA 179 CO -0.15 -1.46 1.93 1.63 0.00 0.00 0.00 175.76 177.71 2whs n LYS 180 N -1.29 0.44 -3.86 0.00 5.02 0.91 -4.82 118.16 114.57 2whs n LYS 180 Ca 0.12 0.03 -0.09 0.00 -2.02 0.00 0.00 58.31 56.35 2whs n LYS 180 Cb 0.46 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.90 2whs n LYS 180 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2whs s LYS 181 N -2.50 1.01 0.38 1.97 -2.85 -1.26 -5.01 119.74 111.47 2whs s LYS 181 Ca 0.27 -0.99 -0.27 0.00 -1.00 0.00 0.00 55.97 53.98 2whs s LYS 181 Cb 0.18 0.38 -0.09 0.00 -2.06 0.00 0.00 37.83 36.24 2whs s LYS 181 CO 0.40 -0.36 1.27 -2.14 0.10 0.00 0.00 175.35 174.62 2whs s PRO 182 N -3.89 4.11 0.26 1.78 0.02 -1.26 -4.97 135.00 131.05 2whs s PRO 182 Ca 0.09 2.10 0.01 0.00 0.02 0.00 0.00 61.00 63.22 2whs s PRO 182 Cb 0.04 -2.84 -0.05 0.00 0.02 0.00 0.00 34.50 31.67 2whs s PRO 182 CO -0.07 -0.36 0.09 0.14 -0.33 0.00 0.00 177.00 176.48 2whs s VAL 183 N -1.25 0.58 -0.05 3.83 -7.23 -1.26 -5.02 120.40 109.99 2whs s VAL 183 Ca 0.54 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.42 2whs s VAL 183 Cb -0.37 -2.63 -0.05 0.00 0.56 0.00 0.00 36.38 33.89 2whs s VAL 183 CO 0.48 -0.01 1.53 -0.13 -0.31 0.00 0.00 175.10 176.65 2whs s ARG 184 N -4.03 4.21 0.16 4.82 0.52 -1.26 -5.00 118.95 118.38 2whs s ARG 184 Ca 0.37 2.06 -0.30 0.00 -0.52 0.00 0.00 55.73 57.34 2whs s ARG 184 Cb 0.08 -3.83 -0.07 0.00 0.52 0.00 0.00 34.95 31.65 2whs s ARG 184 CO 0.13 -0.76 0.99 -1.64 0.02 0.00 0.00 175.30 174.05 2whs s MET 185 N 3.49 4.71 0.67 3.54 -1.94 -1.26 -4.64 119.30 123.87 2whs s MET 185 Ca 0.68 1.53 -0.08 0.00 -1.71 0.00 0.00 55.69 56.10 2whs s MET 185 Cb -0.31 -3.33 0.03 0.00 2.01 0.00 0.00 34.83 33.23 2whs s MET 185 CO 0.26 0.25 1.01 -1.25 -0.01 0.00 0.00 175.02 175.29 2whs s PRO 186 N -0.37 2.65 0.70 2.03 0.04 -1.26 -4.78 135.00 134.02 2whs s PRO 186 Ca 0.46 0.10 -0.07 0.00 0.04 0.00 0.00 61.00 61.53 2whs s PRO 186 Cb -0.25 -2.14 0.06 0.00 0.04 0.00 0.00 34.50 32.20 2whs s PRO 186 CO 0.32 -1.01 1.01 0.20 0.04 0.00 0.00 177.00 177.56 2whs s GLY 187 N -4.39 1.68 -0.18 0.56 0.00 -1.26 -4.56 107.32 99.17 2whs s GLY 187 Ca 0.57 -0.89 -0.42 0.00 0.00 0.00 0.00 44.72 43.99 2whs s GLY 187 CO 0.47 -0.49 1.34 -2.13 0.00 0.00 0.00 173.10 172.30 2whs n ARG 188 N -2.91 0.25 -1.19 2.90 0.63 -1.26 -4.87 116.66 110.20 2whs n ARG 188 Ca 0.08 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 2whs n ARG 188 Cb 0.60 -1.63 0.00 0.00 0.45 0.00 0.00 32.46 31.88 2whs n ARG 188 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 2whs n HIS 189 N 2.82 -0.43 -3.95 -0.14 1.44 -0.53 -4.47 115.22 109.96 2whs n HIS 189 Ca 0.24 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.86 2whs n HIS 189 Cb 0.05 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.07 2whs n HIS 189 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2whs s GLU 190 N -1.43 0.57 -0.11 -1.40 2.02 -0.91 -0.85 118.70 116.59 2whs s GLU 190 Ca 0.00 -0.81 -0.00 0.00 0.02 0.00 0.00 54.97 54.18 2whs s GLU 190 Cb 0.00 0.22 0.02 0.00 0.10 0.00 0.00 34.13 34.47 2whs s GLU 190 CO 0.00 -0.13 -0.09 0.42 0.02 0.00 0.00 175.26 175.47 2whs s ILE 191 N -2.70 1.14 0.06 -1.63 1.01 -0.42 0.16 121.20 118.82 2whs s ILE 191 Ca -0.04 -0.37 -0.27 0.00 0.00 0.00 0.00 60.65 59.97 2whs s ILE 191 Cb -0.01 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.28 2whs s ILE 191 CO -0.05 0.38 0.83 -1.81 0.00 0.00 0.00 174.94 174.29 2whs s ASP 192 N 1.56 7.29 0.01 3.58 1.11 -0.64 -0.93 116.67 128.65 2whs s ASP 192 Ca 0.03 1.55 0.01 0.00 0.18 0.00 0.00 52.55 54.32 2whs s ASP 192 Cb -0.13 -2.51 -0.01 0.00 1.07 0.00 0.00 42.92 41.35 2whs s ASP 192 CO -0.07 -0.02 -0.03 -0.13 1.18 0.00 0.00 175.17 176.09 2whs s ARG 193 N 0.02 0.27 -0.09 8.23 0.52 -0.30 -0.93 118.95 126.67 2whs s ARG 193 Ca 0.41 -0.34 0.04 0.00 -0.52 0.00 0.00 55.73 55.32 2whs s ARG 193 Cb -0.21 -0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.15 2whs s ARG 193 CO 0.25 0.02 -0.22 0.21 0.02 0.00 0.00 175.30 175.58 2whs s LYS 194 N -0.69 2.73 -0.10 3.54 2.20 -0.46 -1.62 119.74 125.34 2whs s LYS 194 Ca -0.06 -0.78 0.01 0.00 -0.36 0.00 0.00 55.97 54.78 2whs s LYS 194 Cb -0.05 -2.10 0.02 0.00 -1.51 0.00 0.00 37.83 34.19 2whs s LYS 194 CO -0.00 0.16 -0.12 -1.17 -0.36 0.00 0.00 175.35 173.86 2whs s LEU 195 N 0.38 1.52 -0.04 5.43 2.96 -1.26 -1.38 118.68 126.29 2whs s LEU 195 Ca -0.17 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 2whs s LEU 195 Cb -0.17 -0.93 0.01 0.00 0.50 0.00 0.00 46.19 45.59 2whs s LEU 195 CO 0.08 -0.03 -0.10 -1.81 -1.32 0.00 0.00 176.35 173.17 2whs s ASP 196 N 1.17 1.38 -0.23 3.68 1.01 -0.49 -4.47 116.67 118.71 2whs s ASP 196 Ca -0.04 -0.22 -0.29 0.00 0.71 0.00 0.00 52.55 52.71 2whs s ASP 196 Cb -0.14 -0.44 -0.01 0.00 1.01 0.00 0.00 42.92 43.33 2whs s ASP 196 CO -0.03 0.06 1.38 -0.69 0.21 0.00 0.00 175.17 176.10 2whs s VAL 197 N 0.32 4.04 -0.64 -1.27 1.01 -1.26 -1.09 120.40 121.50 2whs s VAL 197 Ca -0.06 1.21 0.22 0.00 0.00 0.00 0.00 61.98 63.35 2whs s VAL 197 Cb -0.11 -3.97 -0.16 0.00 0.00 0.00 0.00 36.38 32.14 2whs s VAL 197 CO 0.01 -0.32 0.94 0.35 0.00 0.00 0.00 175.10 176.08 2whs n THR 198 N 6.00 0.10 -3.62 3.92 -2.24 0.62 -4.97 114.28 114.09 2whs n THR 198 Ca 0.16 -0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 61.64 2whs n THR 198 Cb 0.46 0.37 -0.06 0.00 -2.10 0.00 0.00 70.33 68.99 2whs n THR 198 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2whs s SER 199 N -3.74 -0.39 -0.01 3.42 0.15 -1.15 -4.98 113.70 107.01 2whs s SER 199 Ca 0.03 0.64 -0.29 0.00 0.70 0.00 0.00 55.95 57.03 2whs s SER 199 Cb 0.15 0.61 0.07 0.00 -1.71 0.00 0.00 66.02 65.14 2whs s SER 199 CO 0.83 -0.20 0.67 -1.38 1.20 0.00 0.00 173.24 174.36 2whs s HIS 200 N -0.26 -0.62 1.05 3.44 -3.43 -1.26 -0.03 115.29 114.18 2whs s HIS 200 Ca 0.02 0.92 -0.18 0.00 -0.80 0.00 0.00 55.06 55.03 2whs s HIS 200 Cb -0.03 0.45 0.24 0.00 -1.43 0.00 0.00 32.58 31.80 2whs s HIS 200 CO -0.04 -0.66 1.29 0.54 -2.00 0.00 0.00 174.74 173.87 2whs s ASN 201 N -1.55 2.31 0.20 7.38 4.22 -0.14 -4.96 114.94 122.40 2whs s ASN 201 Ca -0.08 0.28 -0.10 0.00 -2.14 0.00 0.00 52.86 50.82 2whs s ASN 201 Cb -0.00 -0.30 0.14 0.00 1.28 0.00 0.00 41.25 42.36 2whs s ASN 201 CO 0.04 -3.23 1.83 -0.09 -2.04 0.00 0.00 177.10 173.61 2whs h ARG 202 N -1.98 1.00 -0.51 3.55 2.43 -2.02 -2.81 114.38 114.04 2whs h ARG 202 Ca -0.44 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 2whs h ARG 202 Cb 1.24 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2whs h ARG 202 CO 0.33 0.74 0.00 -0.40 -1.51 0.00 0.00 179.97 179.12 2whs n ASP 203 N -4.49 4.76 -3.70 -3.80 5.75 -1.26 -4.95 116.55 108.85 2whs n ASP 203 Ca 0.06 -2.72 -0.26 0.00 -0.01 0.00 0.00 54.79 51.86 2whs n ASP 203 Cb 0.08 -0.58 0.06 0.00 -1.03 0.00 0.00 41.12 39.65 2whs n ASP 203 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2whs n TYR 204 N 0.50 -2.69 0.65 2.11 4.02 -1.06 -4.47 117.16 116.22 2whs n TYR 204 Ca 0.24 0.98 0.11 0.00 -0.01 0.00 0.00 57.90 59.22 2whs n TYR 204 Cb 0.97 -4.67 0.04 0.00 -0.02 0.00 0.00 39.34 35.65 2whs n TYR 204 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2whs n THR 205 N -4.90 0.14 -4.13 -0.72 -2.24 -1.26 -4.76 114.28 96.40 2whs n THR 205 Ca 0.02 -0.20 -0.23 0.00 -2.27 0.00 0.00 64.05 61.38 2whs n THR 205 Cb 0.55 0.27 -0.17 0.00 -2.10 0.00 0.00 70.33 68.88 2whs n THR 205 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2whs s SER 206 N -3.75 1.51 -0.02 3.42 0.01 -1.26 -0.98 113.70 112.62 2whs s SER 206 Ca 0.05 -0.19 -0.02 0.00 1.31 0.00 0.00 55.95 57.09 2whs s SER 206 Cb 0.15 -0.61 0.00 0.00 0.21 0.00 0.00 66.02 65.77 2whs s SER 206 CO 0.79 -0.07 0.06 -0.69 0.41 0.00 0.00 173.24 173.74 2whs s VAL 207 N 1.22 0.01 -0.03 3.43 1.01 -0.96 -0.96 120.40 124.12 2whs s VAL 207 Ca -0.05 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 61.89 2whs s VAL 207 Cb -0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 36.38 36.10 2whs s VAL 207 CO -0.02 -0.05 -0.23 -1.61 0.00 0.00 0.00 175.10 173.19 2whs s GLU 208 N -0.14 1.98 0.10 2.72 2.02 0.96 -0.13 118.70 126.21 2whs s GLU 208 Ca -0.02 -0.81 0.03 0.00 0.02 0.00 0.00 54.97 54.19 2whs s GLU 208 Cb -0.01 -1.83 -0.04 0.00 0.10 0.00 0.00 34.13 32.34 2whs s GLU 208 CO 0.00 0.44 -0.08 1.14 0.02 0.00 0.00 175.26 176.77 2whs s GLN 209 N -0.38 0.86 0.09 1.61 -2.07 -0.64 -0.28 119.66 118.84 2whs s GLN 209 Ca 0.05 -1.26 0.06 0.00 -1.82 0.00 0.00 55.36 52.39 2whs s GLN 209 Cb -0.10 -0.39 -0.03 0.00 -1.09 0.00 0.00 33.01 31.39 2whs s GLN 209 CO 0.00 0.04 -0.16 0.00 -1.32 0.00 0.00 175.29 173.85 2whs s GLU 211 N -1.93 0.15 -0.13 0.00 2.12 -0.68 -1.39 118.70 116.83 2whs s GLU 211 Ca 0.02 -0.24 0.02 0.00 0.36 0.00 0.00 54.97 55.13 2whs s GLU 211 Cb -0.09 -0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.30 2whs s GLU 211 CO 0.03 -0.01 -0.20 0.42 -0.54 0.00 0.00 175.26 174.96 2whs s ILE 212 N -0.53 2.32 -0.09 -3.70 -1.09 -0.48 -2.07 121.20 115.57 2whs s ILE 212 Ca -0.05 -0.90 -0.02 0.00 -2.23 0.00 0.00 60.65 57.45 2whs s ILE 212 Cb -0.04 -1.94 0.04 0.00 -1.58 0.00 0.00 42.46 38.94 2whs s ILE 212 CO -0.00 0.54 0.02 0.00 -1.23 0.00 0.00 174.94 174.27 2whs s ALA 213 N 0.65 0.67 -0.11 9.38 0.00 -0.52 -1.36 121.76 130.48 2whs s ALA 213 Ca -0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 51.96 51.66 2whs s ALA 213 Cb -0.16 -0.82 0.03 0.00 0.00 0.00 0.00 23.12 22.17 2whs s ALA 213 CO 0.02 -0.62 -0.04 0.42 0.00 0.00 0.00 175.76 175.54 2whs s ILE 214 N 1.99 0.77 0.42 0.00 1.01 -0.11 -1.40 121.20 123.88 2whs s ILE 214 Ca 0.04 -0.22 -0.25 0.00 0.00 0.00 0.00 60.65 60.22 2whs s ILE 214 Cb -0.13 -0.90 -0.08 0.00 0.01 0.00 0.00 42.46 41.36 2whs s ILE 214 CO -0.06 0.25 1.27 0.00 0.00 0.00 0.00 174.94 176.40 2whs s ALA 215 N 1.80 3.17 0.06 9.38 0.00 -0.11 -1.62 121.76 134.44 2whs s ALA 215 Ca 0.04 1.17 0.05 0.00 0.00 0.00 0.00 51.96 53.22 2whs s ALA 215 Cb -0.13 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 2whs s ALA 215 CO -0.07 -0.81 -0.15 1.03 0.00 0.00 0.00 175.76 175.76 2whs s ARG 216 N -2.36 0.90 0.32 0.00 1.81 0.12 -4.67 118.95 115.08 2whs s ARG 216 Ca 0.59 -0.89 -0.28 0.00 -1.72 0.00 0.00 55.73 53.42 2whs s ARG 216 Cb -0.36 -0.94 -0.10 0.00 -0.45 0.00 0.00 34.95 33.10 2whs s ARG 216 CO 0.46 0.22 1.20 -1.01 -0.68 0.00 0.00 175.30 175.49 2whs s HIS 217 N -1.08 3.25 -0.34 -0.53 3.76 -1.26 -2.13 115.29 116.96 2whs s HIS 217 Ca 0.00 1.55 -0.16 0.00 -0.15 0.00 0.00 55.06 56.30 2whs s HIS 217 Cb -0.09 -3.48 -0.01 0.00 1.11 0.00 0.00 32.58 30.11 2whs s HIS 217 CO 0.02 -1.26 0.43 0.45 -0.85 0.00 0.00 174.74 173.53 2whs s SER 218 N -0.75 6.25 -0.20 1.40 0.15 -1.26 -4.83 113.70 114.45 2whs s SER 218 Ca 0.49 -0.10 0.11 0.00 0.70 0.00 0.00 55.95 57.15 2whs s SER 218 Cb -0.35 -2.23 0.68 0.00 -1.71 0.00 0.00 66.02 62.40 2whs s SER 218 CO 0.46 -0.39 1.54 0.18 1.20 0.00 0.00 173.24 176.23 2whs n LEU 219 N 5.54 4.97 -0.09 3.45 4.77 -1.26 -4.57 117.00 129.80 2whs n LEU 219 Ca -0.07 -2.53 0.14 0.00 -0.03 0.00 0.00 56.01 53.52 2whs n LEU 219 Cb 0.49 -0.66 0.52 0.00 -2.33 0.00 0.00 43.42 41.44 2whs n LEU 219 CO 0.42 0.58 0.79 0.18 -1.33 0.00 0.00 177.39 178.03 2whs n LEU 220 N 0.47 0.46 0.00 2.23 4.32 -1.26 -5.30 117.00 117.91 2whs n LEU 220 Ca 0.24 0.06 0.00 0.00 -0.02 0.00 0.00 56.01 56.28 2whs n LEU 220 Cb 1.05 -0.24 0.00 0.00 -1.62 0.00 0.00 43.42 42.61 2whs n LEU 220 CO 0.28 0.09 0.00 0.61 -1.22 0.00 0.00 177.39 177.15