#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vvi h ALA 3 N 0.00 0.61 -2.05 -1.46 0.00 -1.90 -3.45 119.26 111.01 2vvi h ALA 3 Ca 0.00 -0.68 -0.57 0.00 0.00 0.00 0.00 54.91 53.66 2vvi h ALA 3 Cb 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2vvi h ALA 3 CO 0.00 0.87 0.87 0.42 0.00 0.00 0.00 179.25 181.41 2vvi s ILE 4 N -3.35 4.43 0.31 0.00 -1.09 -1.26 -4.99 121.20 115.26 2vvi s ILE 4 Ca -0.03 1.70 -0.06 0.00 -2.23 0.00 0.00 60.65 60.03 2vvi s ILE 4 Cb 0.11 -4.22 -0.06 0.00 -1.58 0.00 0.00 42.46 36.71 2vvi s ILE 4 CO 0.82 -0.29 0.60 -0.54 -1.23 0.00 0.00 174.94 174.30 2vvi s LYS 5 N 3.55 3.67 0.54 2.79 3.01 -1.26 -5.00 119.74 127.05 2vvi s LYS 5 Ca 0.49 0.11 0.22 0.00 -1.01 0.00 0.00 55.97 55.79 2vvi s LYS 5 Cb -0.17 -2.60 1.43 0.00 -1.01 0.00 0.00 37.83 35.49 2vvi s LYS 5 CO 0.13 0.17 2.12 -1.35 0.51 0.00 0.00 175.35 176.94 2vvi h PRO 6 N 1.64 0.00 -4.77 -1.68 0.11 -1.96 -3.40 132.00 121.95 2vvi h PRO 6 Ca -0.48 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.06 2vvi h PRO 6 Cb 1.19 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.96 2vvi h PRO 6 CO 0.66 0.00 -0.84 -0.51 -0.21 0.00 0.00 178.00 177.10 2vvi s ASP 7 N -6.56 2.34 0.16 -2.05 1.01 -1.26 -3.98 116.67 106.33 2vvi s ASP 7 Ca -0.05 -0.41 0.07 0.00 0.71 0.00 0.00 52.55 52.87 2vvi s ASP 7 Cb 0.17 -1.06 -0.04 0.00 1.01 0.00 0.00 42.92 43.00 2vvi s ASP 7 CO 0.65 0.04 -0.14 -0.04 0.21 0.00 0.00 175.17 175.89 2vvi s MET 8 N 0.80 1.18 0.11 8.23 -1.94 -0.41 -5.00 119.30 122.26 2vvi s MET 8 Ca -0.11 -1.44 0.02 0.00 -1.71 0.00 0.00 55.69 52.46 2vvi s MET 8 Cb -0.16 -0.97 -0.04 0.00 2.01 0.00 0.00 34.83 35.67 2vvi s MET 8 CO 0.02 0.17 0.18 0.15 -0.01 0.00 0.00 175.02 175.52 2vvi s LYS 9 N -3.29 3.19 -0.14 2.03 1.02 0.53 -1.72 119.74 121.36 2vvi s LYS 9 Ca 0.17 -0.63 -0.00 0.00 0.02 0.00 0.00 55.97 55.53 2vvi s LYS 9 Cb -0.02 -2.86 0.03 0.00 -0.52 0.00 0.00 37.83 34.46 2vvi s LYS 9 CO 0.04 0.55 -0.07 0.42 -0.92 0.00 0.00 175.35 175.37 2vvi s ILE 10 N -1.58 1.12 -0.15 2.17 1.01 0.64 -0.56 121.20 123.85 2vvi s ILE 10 Ca 0.33 -0.47 -0.02 0.00 0.00 0.00 0.00 60.65 60.48 2vvi s ILE 10 Cb -0.12 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 2vvi s ILE 10 CO 0.26 0.28 -0.07 0.21 0.00 0.00 0.00 174.94 175.61 2vvi s ASN 11 N 1.65 4.47 -0.01 3.58 3.84 0.20 -0.60 114.94 128.08 2vvi s ASN 11 Ca 0.03 -0.22 0.00 0.00 0.21 0.00 0.00 52.86 52.88 2vvi s ASN 11 Cb -0.14 -1.72 0.01 0.00 -0.55 0.00 0.00 41.25 38.86 2vvi s ASN 11 CO -0.08 0.15 0.01 -0.22 -2.79 0.00 0.00 177.10 174.16 2vvi s LEU 12 N 0.47 1.55 -0.11 3.21 0.20 0.49 -0.87 118.68 123.62 2vvi s LEU 12 Ca -0.06 0.01 0.03 0.00 0.69 0.00 0.00 54.13 54.80 2vvi s LEU 12 Cb -0.15 -0.07 0.01 0.00 -0.43 0.00 0.00 46.19 45.55 2vvi s LEU 12 CO 0.03 -0.06 -0.21 -0.60 -0.29 0.00 0.00 176.35 175.23 2vvi s ARG 13 N 0.52 2.78 -0.15 1.98 3.52 -0.81 0.51 118.95 127.31 2vvi s ARG 13 Ca -0.04 -0.78 -0.01 0.00 -0.13 0.00 0.00 55.73 54.77 2vvi s ARG 13 Cb -0.07 -2.20 -0.01 0.00 -1.56 0.00 0.00 34.95 31.11 2vvi s ARG 13 CO -0.01 0.06 -0.11 1.41 -0.81 0.00 0.00 175.30 175.83 2vvi s MET 14 N 0.65 3.39 -0.07 5.12 -2.45 0.75 -1.28 119.30 125.41 2vvi s MET 14 Ca -0.12 -0.67 0.04 0.00 -1.25 0.00 0.00 55.69 53.69 2vvi s MET 14 Cb -0.16 -2.71 -0.00 0.00 1.25 0.00 0.00 34.83 33.21 2vvi s MET 14 CO 0.03 0.13 -0.20 -2.00 1.05 0.00 0.00 175.02 174.03 2vvi s GLU 15 N 0.57 2.31 0.00 4.11 2.12 -0.61 -0.42 118.70 126.77 2vvi s GLU 15 Ca -0.07 -0.72 0.00 0.00 0.36 0.00 0.00 54.97 54.54 2vvi s GLU 15 Cb -0.15 -1.88 0.00 0.00 0.26 0.00 0.00 34.13 32.36 2vvi s GLU 15 CO 0.03 0.21 0.00 0.41 -0.54 0.00 0.00 175.26 175.38 2vvi n GLY 16 N 3.34 1.71 3.37 -1.50 0.00 -0.72 -2.57 105.19 108.82 2vvi n GLY 16 Ca -0.19 -0.92 -0.07 0.00 0.00 0.00 0.00 46.02 44.84 2vvi n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2vvi s ASN 17 N -0.56 -0.52 -0.11 1.61 3.84 -0.23 -1.20 114.94 117.76 2vvi s ASN 17 Ca 0.00 1.14 0.03 0.00 0.21 0.00 0.00 52.86 54.24 2vvi s ASN 17 Cb 0.00 1.48 0.00 0.00 -0.55 0.00 0.00 41.25 42.19 2vvi s ASN 17 CO 0.00 -0.22 -0.22 -0.69 -2.79 0.00 0.00 177.10 173.17 2vvi s VAL 18 N 2.46 1.95 -0.84 -5.21 1.01 -0.67 -0.86 120.40 118.24 2vvi s VAL 18 Ca -0.04 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 60.99 2vvi s VAL 18 Cb -0.11 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.56 2vvi s VAL 18 CO -0.15 0.53 0.01 0.59 0.00 0.00 0.00 175.10 176.09 2vvi n ASN 19 N 3.71 -3.29 0.00 3.32 4.13 -0.29 -0.43 115.26 122.40 2vvi n ASN 19 Ca -0.20 0.24 0.00 0.00 1.68 0.00 0.00 54.58 56.31 2vvi n ASN 19 Cb 0.52 -2.83 0.00 0.00 -1.54 0.00 0.00 39.78 35.94 2vvi n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2vvi n GLY 20 N -0.75 0.48 3.49 7.41 0.00 -1.26 -5.05 105.19 109.51 2vvi n GLY 20 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 2vvi n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2vvi s HIS 21 N -2.19 3.17 0.53 1.61 3.76 0.42 -5.07 115.29 117.52 2vvi s HIS 21 Ca 0.00 -0.34 -0.19 0.00 -0.15 0.00 0.00 55.06 54.38 2vvi s HIS 21 Cb 0.00 -2.90 -0.06 0.00 1.11 0.00 0.00 32.58 30.72 2vvi s HIS 21 CO 0.00 -0.69 1.07 -1.58 -0.85 0.00 0.00 174.74 172.69 2vvi s HIS 22 N 2.16 2.88 0.12 1.40 2.46 -1.26 -1.66 115.29 121.39 2vvi s HIS 22 Ca 0.13 1.56 -0.20 0.00 0.47 0.00 0.00 55.06 57.01 2vvi s HIS 22 Cb -0.17 -3.13 0.05 0.00 -0.13 0.00 0.00 32.58 29.21 2vvi s HIS 22 CO 0.14 -1.13 0.50 -0.59 -2.47 0.00 0.00 174.74 171.19 2vvi s PHE 23 N -2.02 -0.38 -0.03 3.88 -0.12 -0.34 -4.38 117.98 114.60 2vvi s PHE 23 Ca 0.68 0.18 0.01 0.00 -0.05 0.00 0.00 56.93 57.75 2vvi s PHE 23 Cb -0.19 0.39 0.02 0.00 -0.63 0.00 0.00 43.02 42.62 2vvi s PHE 23 CO 0.26 -0.75 -0.01 0.08 -0.05 0.00 0.00 175.22 174.75 2vvi s VAL 24 N -3.50 0.25 -0.05 -2.49 1.01 -0.47 -1.76 120.40 113.39 2vvi s VAL 24 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.00 2vvi s VAL 24 Cb 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 36.38 36.09 2vvi s VAL 24 CO -0.10 0.14 -0.08 -0.63 0.00 0.00 0.00 175.10 174.43 2vvi s ILE 25 N 0.76 0.78 -0.07 2.22 1.01 0.44 -0.27 121.20 126.07 2vvi s ILE 25 Ca -0.08 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 2vvi s ILE 25 Cb -0.11 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 2vvi s ILE 25 CO -0.01 0.28 0.11 -1.81 0.00 0.00 0.00 174.94 173.51 2vvi s ASP 26 N 0.78 6.05 -0.04 3.58 1.01 -0.57 -0.17 116.67 127.30 2vvi s ASP 26 Ca -0.13 0.33 0.04 0.00 0.71 0.00 0.00 52.55 53.50 2vvi s ASP 26 Cb -0.15 -1.87 -0.00 0.00 1.01 0.00 0.00 42.92 41.91 2vvi s ASP 26 CO 0.02 0.35 -0.15 -0.83 0.21 0.00 0.00 175.17 174.77 2vvi s GLY 27 N -1.28 0.81 -0.05 0.21 0.00 0.18 -0.66 107.32 106.53 2vvi s GLY 27 Ca 0.18 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.31 2vvi s GLY 27 CO 0.08 -0.28 -0.02 0.99 0.00 0.00 0.00 173.10 173.87 2vvi s ASP 28 N 0.08 1.00 0.26 1.64 1.01 -0.70 -0.38 116.67 119.59 2vvi s ASP 28 Ca -0.04 -0.10 -0.09 0.00 0.71 0.00 0.00 52.55 53.04 2vvi s ASP 28 Cb -0.11 -0.40 0.04 0.00 1.01 0.00 0.00 42.92 43.46 2vvi s ASP 28 CO 0.02 -0.10 0.50 0.61 0.21 0.00 0.00 175.17 176.41 2vvi n GLY 29 N 4.35 1.45 3.10 0.21 0.00 0.23 -0.44 105.19 114.09 2vvi n GLY 29 Ca -0.21 -1.21 -0.08 0.00 0.00 0.00 0.00 46.02 44.52 2vvi n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vvi s THR 30 N -2.44 0.31 0.11 2.61 -4.23 -0.59 -0.26 115.64 111.16 2vvi s THR 30 Ca 0.11 -1.75 -0.25 0.00 -1.18 0.00 0.00 61.69 58.63 2vvi s THR 30 Cb -0.03 -1.43 0.08 0.00 1.34 0.00 0.00 72.50 72.46 2vvi s THR 30 CO 0.08 -0.92 0.72 -0.83 -0.54 0.00 0.00 174.62 173.13 2vvi s GLY 31 N -2.80 -0.51 -0.43 3.99 0.00 -0.70 -0.49 107.32 106.38 2vvi s GLY 31 Ca 0.06 0.59 -0.01 0.00 0.00 0.00 0.00 44.72 45.35 2vvi s GLY 31 CO -0.08 0.19 0.21 0.54 0.00 0.00 0.00 173.10 173.96 2vvi s LYS 32 N -3.53 1.96 0.30 2.90 1.02 0.13 -1.29 119.74 121.23 2vvi s LYS 32 Ca 0.04 -1.99 -0.02 0.00 0.02 0.00 0.00 55.97 54.02 2vvi s LYS 32 Cb -0.01 -3.50 0.44 0.00 -0.52 0.00 0.00 37.83 34.24 2vvi s LYS 32 CO -0.09 -1.06 1.96 -1.35 -0.92 0.00 0.00 175.35 173.89 2vvi h PRO 33 N 7.71 1.07 0.00 -1.68 0.11 -1.79 -1.05 132.00 136.37 2vvi h PRO 33 Ca -0.09 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2vvi h PRO 33 Cb 1.02 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2vvi h PRO 33 CO 0.66 0.72 0.00 0.74 -0.21 0.00 0.00 178.00 179.91 2vvi h PHE 34 N 1.09 0.00 -0.01 0.65 -1.00 -1.84 -2.82 116.94 113.01 2vvi h PHE 34 Ca 0.29 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.07 2vvi h PHE 34 Cb -0.10 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.46 2vvi h PHE 34 CO 0.00 0.00 -0.65 0.39 -1.61 0.00 0.00 178.31 176.44 2vvi n GLU 35 N -2.64 0.80 -2.98 1.51 1.02 -0.86 -4.54 120.64 112.96 2vvi n GLU 35 Ca 0.04 -0.66 -0.15 0.00 -0.02 0.00 0.00 57.16 56.37 2vvi n GLU 35 Cb 0.41 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.38 2vvi n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2vvi n GLY 36 N 1.45 -0.04 3.19 0.62 0.00 -0.45 -4.49 105.19 105.46 2vvi n GLY 36 Ca 0.08 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 2vvi n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vvi s LYS 37 N -5.56 1.37 -0.15 1.61 1.02 -0.89 -1.09 119.74 116.05 2vvi s LYS 37 Ca 0.29 -0.72 -0.22 0.00 0.02 0.00 0.00 55.97 55.34 2vvi s LYS 37 Cb -0.13 -1.36 0.05 0.00 -0.52 0.00 0.00 37.83 35.87 2vvi s LYS 37 CO 0.35 0.36 0.56 1.14 -0.92 0.00 0.00 175.35 176.85 2vvi s GLN 38 N -0.68 0.76 0.12 1.68 -2.07 -0.75 0.20 119.66 118.92 2vvi s GLN 38 Ca 0.06 0.53 0.06 0.00 -1.82 0.00 0.00 55.36 54.20 2vvi s GLN 38 Cb -0.07 0.36 -0.04 0.00 -1.09 0.00 0.00 33.01 32.17 2vvi s GLN 38 CO 0.00 -0.15 -0.14 -1.12 -1.32 0.00 0.00 175.29 172.56 2vvi s SER 39 N -0.27 1.98 -0.11 12.60 0.01 0.36 -1.20 113.70 127.07 2vvi s SER 39 Ca -0.04 -0.82 -0.11 0.00 1.31 0.00 0.00 55.95 56.29 2vvi s SER 39 Cb -0.03 -0.06 0.03 0.00 0.21 0.00 0.00 66.02 66.16 2vvi s SER 39 CO 0.03 -0.15 0.31 -0.32 0.41 0.00 0.00 173.24 173.52 2vvi s MET 40 N -2.71 0.38 -0.26 12.44 0.00 0.20 -1.54 119.30 127.82 2vvi s MET 40 Ca 0.09 0.38 -0.10 0.00 0.00 0.00 0.00 55.69 56.06 2vvi s MET 40 Cb -0.05 0.19 -0.05 0.00 0.00 0.00 0.00 34.83 34.92 2vvi s MET 40 CO 0.03 -0.05 0.17 -0.51 0.00 0.00 0.00 175.02 174.65 2vvi s ASP 41 N 0.04 5.94 -0.12 1.11 1.01 0.42 -0.80 116.67 124.27 2vvi s ASP 41 Ca -0.01 0.00 -0.02 0.00 0.71 0.00 0.00 52.55 53.23 2vvi s ASP 41 Cb -0.02 -2.09 -0.03 0.00 1.01 0.00 0.00 42.92 41.79 2vvi s ASP 41 CO 0.01 -0.01 -0.04 -0.76 0.21 0.00 0.00 175.17 174.57 2vvi s LEU 42 N 1.53 3.25 -0.16 1.23 1.43 0.11 -1.72 118.68 124.35 2vvi s LEU 42 Ca 0.07 -0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2vvi s LEU 42 Cb -0.15 -1.76 0.04 0.00 0.03 0.00 0.00 46.19 44.35 2vvi s LEU 42 CO 0.08 0.25 -0.07 -0.70 0.23 0.00 0.00 176.35 176.14 2vvi s GLU 43 N -0.12 1.56 -0.13 1.70 2.12 0.16 -1.51 118.70 122.49 2vvi s GLU 43 Ca 0.02 -0.49 -0.29 0.00 0.36 0.00 0.00 54.97 54.57 2vvi s GLU 43 Cb -0.13 -1.96 -0.04 0.00 0.26 0.00 0.00 34.13 32.26 2vvi s GLU 43 CO 0.03 -0.38 1.65 0.08 -0.54 0.00 0.00 175.26 176.09 2vvi s VAL 44 N 1.62 3.63 -0.15 3.70 1.01 -0.28 -1.51 120.40 128.42 2vvi s VAL 44 Ca 0.02 0.74 -0.12 0.00 0.00 0.00 0.00 61.98 62.62 2vvi s VAL 44 Cb -0.15 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2vvi s VAL 44 CO -0.08 -0.15 -0.23 0.29 0.00 0.00 0.00 175.10 174.93 2vvi n LYS 45 N 7.37 0.46 -4.48 2.72 4.76 0.63 -4.82 118.16 124.80 2vvi n LYS 45 Ca 0.18 0.40 -0.33 0.00 -2.87 0.00 0.00 58.31 55.69 2vvi n LYS 45 Cb 0.44 -1.55 -0.10 0.00 -1.84 0.00 0.00 35.03 31.97 2vvi n LYS 45 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2vvi s GLU 46 N -2.40 2.70 0.00 1.97 2.02 -1.09 -4.71 118.70 117.19 2vvi s GLU 46 Ca -0.19 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.19 2vvi s GLU 46 Cb 0.03 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.67 2vvi s GLU 46 CO 0.28 0.64 0.00 0.41 0.02 0.00 0.00 175.26 176.61 2vvi n GLY 47 N 1.81 0.76 3.77 -1.39 0.00 -1.26 -1.37 105.19 107.52 2vvi n GLY 47 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 2vvi n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vvi s GLY 48 N -2.00 2.87 0.09 -0.02 0.00 -1.26 -3.60 107.32 103.40 2vvi s GLY 48 Ca 0.00 0.58 -0.25 0.00 0.00 0.00 0.00 44.72 45.05 2vvi s GLY 48 CO 0.00 1.06 0.78 2.56 0.00 0.00 0.00 173.10 177.50 2vvi s PRO 49 N -1.88 4.53 0.19 2.90 0.04 -1.26 -5.11 135.00 134.41 2vvi s PRO 49 Ca 0.49 1.11 -0.33 0.00 0.04 0.00 0.00 61.00 62.31 2vvi s PRO 49 Cb -0.21 -3.33 -0.13 0.00 0.04 0.00 0.00 34.50 30.87 2vvi s PRO 49 CO 0.27 0.37 1.61 1.28 0.04 0.00 0.00 177.00 180.57 2vvi n LEU 50 N 2.42 3.51 0.00 -3.56 4.77 -1.24 -4.88 117.00 118.02 2vvi n LEU 50 Ca -0.03 1.09 0.11 0.00 -0.03 0.00 0.00 56.01 57.14 2vvi n LEU 50 Cb 0.50 -1.49 0.64 0.00 -2.33 0.00 0.00 43.42 40.73 2vvi n LEU 50 CO 0.47 -0.11 0.89 -0.81 -1.33 0.00 0.00 177.39 176.50 2vvi n PRO 51 N 3.38 0.95 -4.22 3.23 -0.04 -1.26 -4.87 135.00 132.17 2vvi n PRO 51 Ca 0.15 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.49 2vvi n PRO 51 Cb 0.32 -1.35 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 2vvi n PRO 51 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2vvi s PHE 52 N -2.00 1.12 0.06 0.54 -0.12 -1.26 -4.67 117.98 111.66 2vvi s PHE 52 Ca 0.32 -0.89 -0.34 0.00 -0.05 0.00 0.00 56.93 55.97 2vvi s PHE 52 Cb 0.15 -0.62 -0.13 0.00 -0.63 0.00 0.00 43.02 41.79 2vvi s PHE 52 CO 0.25 -0.08 1.68 0.00 -0.05 0.00 0.00 175.22 177.01 2vvi n ALA 53 N -0.16 1.08 0.24 1.99 0.00 0.35 -4.89 120.51 119.13 2vvi n ALA 53 Ca -0.10 0.39 0.07 0.00 0.00 0.00 0.00 53.44 53.80 2vvi n ALA 53 Cb 0.61 -2.39 0.58 0.00 0.00 0.00 0.00 19.45 18.25 2vvi n ALA 53 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2vvi h PHE 54 N 7.07 0.00 -0.79 0.00 3.57 -1.95 -3.13 116.94 121.70 2vvi h PHE 54 Ca -0.46 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.22 2vvi h PHE 54 Cb 1.26 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.95 2vvi h PHE 54 CO 0.72 0.09 0.54 -0.44 -2.23 0.00 0.00 178.31 176.98 2vvi h ASP 55 N 0.00 0.31 0.22 0.41 3.32 -1.96 -1.01 116.42 117.72 2vvi h ASP 55 Ca -0.00 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2vvi h ASP 55 Cb 0.16 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 2vvi h ASP 55 CO 0.01 0.15 -0.06 0.16 -1.72 0.00 0.00 179.24 177.78 2vvi h ILE 56 N 0.33 0.47 0.00 0.35 3.07 -1.95 -2.86 117.51 116.92 2vvi h ILE 56 Ca 0.40 -0.28 0.00 0.00 1.55 0.00 0.00 64.86 66.52 2vvi h ILE 56 Cb 1.06 1.19 0.00 0.00 -0.27 0.00 0.00 36.82 38.80 2vvi h ILE 56 CO -0.11 0.06 -0.76 -0.07 -1.05 0.00 0.00 178.15 176.21 2vvi h LEU 57 N 0.00 0.00 -1.11 0.16 3.38 -1.41 -3.41 115.31 112.91 2vvi h LEU 57 Ca -0.00 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 2vvi h LEU 57 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2vvi h LEU 57 CO 0.01 0.06 -0.38 0.71 0.09 0.00 0.00 178.44 178.93 2vvi h THR 58 N 0.00 1.01 0.00 0.22 1.35 -1.57 -1.30 112.91 112.62 2vvi h THR 58 Ca 0.00 -1.42 -0.03 0.00 -0.55 0.00 0.00 66.41 64.41 2vvi h THR 58 Cb 0.87 1.83 -0.00 0.00 -1.73 0.00 0.00 68.15 69.12 2vvi h THR 58 CO 0.00 0.37 -0.15 0.71 -0.25 0.00 0.00 175.52 176.20 2vvi h THR 59 N 0.00 0.34 0.00 6.82 1.35 -1.80 -2.98 112.91 116.65 2vvi h THR 59 Ca -0.00 -0.96 -0.17 0.00 -0.55 0.00 0.00 66.41 64.72 2vvi h THR 59 Cb 0.80 1.73 -0.02 0.00 -1.73 0.00 0.00 68.15 68.93 2vvi h THR 59 CO 0.05 0.14 -0.83 0.00 -0.25 0.00 0.00 175.52 174.63 2vvi h ALA 60 N 1.85 0.62 0.00 6.62 0.00 -1.54 -3.44 119.26 123.37 2vvi h ALA 60 Ca -0.00 -0.76 -0.36 0.00 0.00 0.00 0.00 54.91 53.79 2vvi h ALA 60 Cb 0.72 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2vvi h ALA 60 CO 0.02 1.04 2.05 1.19 0.00 0.00 0.00 179.25 183.55 2vvi n PHE 61 N -3.53 1.17 0.00 0.00 0.99 -1.11 -5.01 117.46 109.97 2vvi n PHE 61 Ca -0.00 -1.92 0.00 0.00 -0.00 0.00 0.00 57.45 55.52 2vvi n PHE 61 Cb 0.80 -1.71 0.00 0.00 -1.00 0.00 0.00 39.48 37.57 2vvi n PHE 61 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2vvi n ASN 65 N 3.60 0.00 0.00 4.37 2.85 -1.26 -5.13 115.26 119.69 2vvi n ASN 65 Ca 0.47 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 55.06 2vvi n ASN 65 Cb 0.31 0.00 0.71 0.00 1.24 0.00 0.00 39.78 42.04 2vvi n ASN 65 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 2vvi n ARG 66 N 0.00 0.74 0.24 1.20 3.00 -1.26 -1.73 116.66 118.86 2vvi n ARG 66 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 57.92 2vvi n ARG 66 Cb 0.00 -1.50 0.57 0.00 0.00 0.00 0.00 32.46 31.53 2vvi n ARG 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2vvi h VAL 67 N 0.00 1.06 -1.52 5.15 2.07 -1.96 -3.21 116.25 117.84 2vvi h VAL 67 Ca 0.00 -0.32 -0.76 0.00 0.82 0.00 0.00 66.70 66.44 2vvi h VAL 67 Cb 0.01 1.17 -0.16 0.00 -1.52 0.00 0.00 31.29 30.79 2vvi h VAL 67 CO 0.00 0.09 1.97 0.49 0.02 0.00 0.00 177.57 180.14 2vvi n PHE 68 N -4.41 2.72 -3.80 1.57 3.01 -0.70 -4.67 117.46 111.18 2vvi n PHE 68 Ca -0.03 -2.76 -0.13 0.00 1.01 0.00 0.00 57.45 55.54 2vvi n PHE 68 Cb 0.17 -1.79 -0.14 0.00 -0.01 0.00 0.00 39.48 37.71 2vvi n PHE 68 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2vvi s ALA 69 N -0.72 -0.19 -0.46 4.37 0.00 -1.21 -4.21 121.76 119.34 2vvi s ALA 69 Ca 0.43 0.41 -0.29 0.00 0.00 0.00 0.00 51.96 52.52 2vvi s ALA 69 Cb 0.12 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.99 2vvi s ALA 69 CO -0.02 -0.09 1.34 -2.00 0.00 0.00 0.00 175.76 174.99 2vvi s GLU 70 N 0.60 3.55 -0.22 0.00 2.12 -0.24 -4.46 118.70 120.06 2vvi s GLU 70 Ca -0.05 0.73 -0.10 0.00 0.36 0.00 0.00 54.97 55.91 2vvi s GLU 70 Cb -0.06 -4.02 -0.05 0.00 0.26 0.00 0.00 34.13 30.26 2vvi s GLU 70 CO -0.03 -1.60 0.14 0.71 -0.54 0.00 0.00 175.26 173.94 2vvi s TYR 71 N 5.32 3.35 0.84 5.30 1.51 -1.26 -0.43 117.35 131.98 2vvi s TYR 71 Ca 0.56 0.25 -0.12 0.00 -1.01 0.00 0.00 57.07 56.75 2vvi s TYR 71 Cb -0.11 -2.20 0.10 0.00 -0.11 0.00 0.00 41.96 39.64 2vvi s TYR 71 CO 0.31 0.18 1.13 -1.25 -1.11 0.00 0.00 175.55 174.81 2vvi s PRO 72 N 0.66 1.69 0.44 -1.71 0.04 -1.26 -4.95 135.00 129.91 2vvi s PRO 72 Ca 0.07 0.34 0.16 0.00 0.04 0.00 0.00 61.00 61.61 2vvi s PRO 72 Cb -0.12 -1.90 0.99 0.00 0.04 0.00 0.00 34.50 33.51 2vvi s PRO 72 CO 0.01 -1.83 1.95 -0.44 0.04 0.00 0.00 177.00 176.73 2vvi h ASP 73 N -1.23 0.00 0.22 6.66 3.32 -1.99 -2.64 116.42 120.76 2vvi h ASP 73 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2vvi h ASP 73 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 2vvi h ASP 73 CO 0.62 0.23 -0.05 0.00 -1.72 0.00 0.00 179.24 178.32 2vvi n HIS 74 N -4.13 0.00 -4.87 4.55 1.44 -1.26 -4.77 115.22 106.17 2vvi n HIS 74 Ca -0.02 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.36 2vvi n HIS 74 Cb 0.29 -0.11 -0.15 0.00 0.12 0.00 0.00 29.99 30.14 2vvi n HIS 74 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2vvi s ILE 75 N -2.28 2.83 0.11 0.61 1.01 -1.00 -5.07 121.20 117.42 2vvi s ILE 75 Ca 0.35 -0.74 -0.32 0.00 0.00 0.00 0.00 60.65 59.95 2vvi s ILE 75 Cb 0.21 -2.17 -0.11 0.00 0.01 0.00 0.00 42.46 40.40 2vvi s ILE 75 CO 0.42 0.53 1.83 1.67 0.00 0.00 0.00 174.94 179.39 2vvi n GLN 76 N 3.53 2.73 -3.08 2.79 -0.06 -1.26 -4.70 117.38 117.34 2vvi n GLN 76 Ca -0.18 0.99 -0.45 0.00 -2.00 0.00 0.00 57.00 55.36 2vvi n GLN 76 Cb 0.53 -2.88 -0.04 0.00 -4.06 0.00 0.00 30.24 23.79 2vvi n GLN 76 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2vvi s ASP 77 N 2.70 6.32 0.40 1.69 -1.08 -1.26 -4.73 116.67 120.71 2vvi s ASP 77 Ca 0.82 -1.64 0.13 0.00 -0.52 0.00 0.00 52.55 51.34 2vvi s ASP 77 Cb -0.50 -2.32 0.82 0.00 -1.46 0.00 0.00 42.92 39.46 2vvi s ASP 77 CO 0.38 -1.08 1.89 0.22 0.52 0.00 0.00 175.17 177.10 2vvi h TYR 78 N 9.01 0.05 0.16 -5.34 3.20 -1.92 -3.03 116.97 119.09 2vvi h TYR 78 Ca -0.17 -0.01 -0.29 0.00 3.14 0.00 0.00 58.73 61.39 2vvi h TYR 78 Cb 1.07 -0.01 0.01 0.00 1.54 0.00 0.00 36.73 39.34 2vvi h TYR 78 CO 0.92 0.32 -1.43 0.74 -1.64 0.00 0.00 178.16 177.07 2vvi h PHE 79 N 0.04 0.62 -0.00 -3.82 -1.00 -1.90 -2.87 116.94 108.00 2vvi h PHE 79 Ca 0.00 -0.45 -0.14 0.00 2.81 0.00 0.00 57.97 60.20 2vvi h PHE 79 Cb 0.51 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.02 2vvi h PHE 79 CO 0.00 1.56 -0.64 0.87 -1.61 0.00 0.00 178.31 178.48 2vvi h LYS 80 N -0.13 0.00 0.00 1.51 1.57 -1.90 -2.43 116.57 115.19 2vvi h LYS 80 Ca -0.29 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2vvi h LYS 80 Cb 1.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.21 2vvi h LYS 80 CO 0.14 0.64 0.00 1.04 -0.57 0.00 0.00 179.45 180.70 2vvi n GLN 81 N -3.77 0.06 0.10 3.15 1.13 -1.14 -3.14 117.38 113.77 2vvi n GLN 81 Ca -0.01 0.28 0.13 0.00 -1.94 0.00 0.00 57.00 55.46 2vvi n GLN 81 Cb 0.64 -1.60 0.32 0.00 0.11 0.00 0.00 30.24 29.70 2vvi n GLN 81 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 2vvi h SER 82 N 0.00 0.00 -2.87 1.08 0.02 -1.19 -3.46 113.55 107.13 2vvi h SER 82 Ca 0.00 -0.05 -0.59 0.00 -0.84 0.00 0.00 61.79 60.31 2vvi h SER 82 Cb 0.30 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 2vvi h SER 82 CO 0.00 0.03 -0.46 -0.36 -1.14 0.00 0.00 176.83 174.90 2vvi s PHE 83 N -3.13 3.50 -0.03 3.45 0.40 -1.19 0.10 117.98 121.09 2vvi s PHE 83 Ca 0.09 0.27 0.20 0.00 -0.60 0.00 0.00 56.93 56.89 2vvi s PHE 83 Cb 0.12 -1.78 0.51 0.00 0.51 0.00 0.00 43.02 42.37 2vvi s PHE 83 CO 0.64 0.54 1.65 -1.00 0.70 0.00 0.00 175.22 177.74 2vvi h PRO 84 N 2.78 0.00 -0.56 0.24 0.13 -1.89 -3.43 132.00 129.27 2vvi h PRO 84 Ca -0.46 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 2vvi h PRO 84 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2vvi h PRO 84 CO 0.73 0.33 0.09 0.87 -0.23 0.00 0.00 178.00 179.79 2vvi h LYS 85 N 0.00 0.89 0.00 0.86 1.57 -1.91 -3.34 116.57 114.64 2vvi h LYS 85 Ca -0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2vvi h LYS 85 Cb 1.04 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2vvi h LYS 85 CO 0.04 0.83 0.00 0.41 -0.57 0.00 0.00 179.45 180.16 2vvi n GLY 86 N -0.73 -1.73 3.66 3.86 0.00 0.12 -4.66 105.19 105.70 2vvi n GLY 86 Ca 0.04 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 2vvi n GLY 86 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2vvi s TYR 87 N 0.00 0.05 0.12 1.61 1.13 -0.97 -0.97 117.35 118.31 2vvi s TYR 87 Ca 0.00 -0.44 0.08 0.00 -1.41 0.00 0.00 57.07 55.30 2vvi s TYR 87 Cb 0.00 0.42 -0.04 0.00 -1.10 0.00 0.00 41.96 41.24 2vvi s TYR 87 CO 0.00 -1.05 -0.19 -1.12 -2.51 0.00 0.00 175.55 170.67 2vvi s SER 88 N -2.95 2.47 0.12 -0.18 0.01 -0.33 -0.49 113.70 112.36 2vvi s SER 88 Ca 0.15 -0.73 0.07 0.00 1.31 0.00 0.00 55.95 56.75 2vvi s SER 88 Cb -0.03 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 66.04 2vvi s SER 88 CO 0.05 0.01 -0.17 -1.66 0.41 0.00 0.00 173.24 171.88 2vvi s TRP 89 N -1.45 1.59 0.10 2.43 1.48 -0.22 -1.11 118.94 121.75 2vvi s TRP 89 Ca 0.08 -0.48 0.10 0.00 -1.06 0.00 0.00 56.10 54.74 2vvi s TRP 89 Cb -0.09 -0.84 -0.04 0.00 -1.16 0.00 0.00 33.47 31.35 2vvi s TRP 89 CO 0.05 0.20 -0.26 -1.21 -4.06 0.00 0.00 176.95 171.67 2vvi s GLU 90 N -2.39 1.45 -0.07 3.25 2.02 -0.74 -1.55 118.70 120.69 2vvi s GLU 90 Ca 0.09 -1.25 -0.10 0.00 0.02 0.00 0.00 54.97 53.73 2vvi s GLU 90 Cb -0.07 -1.83 0.02 0.00 0.10 0.00 0.00 34.13 32.35 2vvi s GLU 90 CO 0.04 0.44 0.26 0.50 0.02 0.00 0.00 175.26 176.52 2vvi s ARG 91 N -1.81 0.41 0.00 1.61 3.52 0.80 -1.36 118.95 122.12 2vvi s ARG 91 Ca 0.12 0.14 0.06 0.00 -0.13 0.00 0.00 55.73 55.93 2vvi s ARG 91 Cb -0.10 0.19 -0.03 0.00 -1.56 0.00 0.00 34.95 33.45 2vvi s ARG 91 CO 0.05 -0.08 -0.19 -1.54 -0.81 0.00 0.00 175.30 172.73 2vvi s SER 92 N -0.38 3.71 -0.23 -2.12 1.04 -0.50 -0.70 113.70 114.53 2vvi s SER 92 Ca -0.05 -0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.03 2vvi s SER 92 Cb -0.03 -0.62 0.05 0.00 0.10 0.00 0.00 66.02 65.51 2vvi s SER 92 CO 0.01 0.29 -0.13 -0.76 0.98 0.00 0.00 173.24 173.64 2vvi s LEU 93 N -1.09 2.82 -0.38 2.42 1.43 0.23 -2.23 118.68 121.88 2vvi s LEU 93 Ca 0.13 -1.09 -0.07 0.00 -1.03 0.00 0.00 54.13 52.06 2vvi s LEU 93 Cb -0.10 -1.44 0.07 0.00 0.03 0.00 0.00 46.19 44.75 2vvi s LEU 93 CO 0.03 -0.14 0.18 -0.89 0.23 0.00 0.00 176.35 175.76 2vvi s THR 94 N 1.23 3.87 0.33 5.49 2.01 0.39 -1.44 115.64 127.52 2vvi s THR 94 Ca -0.04 -1.39 -0.15 0.00 0.31 0.00 0.00 61.69 60.42 2vvi s THR 94 Cb -0.17 -3.34 -0.09 0.00 0.01 0.00 0.00 72.50 68.91 2vvi s THR 94 CO -0.08 -0.39 0.75 -0.36 -0.69 0.00 0.00 174.62 173.84 2vvi s PHE 95 N 1.37 3.37 0.46 4.92 0.40 -0.02 -0.80 117.98 127.68 2vvi s PHE 95 Ca 0.02 1.23 0.31 0.00 -0.60 0.00 0.00 56.93 57.88 2vvi s PHE 95 Cb -0.22 -2.55 1.65 0.00 0.51 0.00 0.00 43.02 42.42 2vvi s PHE 95 CO 0.01 0.08 2.14 1.05 0.70 0.00 0.00 175.22 179.20 2vvi h GLU 96 N 2.21 0.00 -0.59 0.44 4.11 -1.48 -2.20 114.58 117.07 2vvi h GLU 96 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2vvi h GLU 96 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2vvi h GLU 96 CO 0.65 0.07 0.00 -0.40 0.07 0.00 0.00 179.01 179.40 2vvi n ASP 97 N -3.57 3.27 0.00 3.06 5.75 -1.26 -4.93 116.55 118.88 2vvi n ASP 97 Ca -0.02 -2.10 0.00 0.00 -0.01 0.00 0.00 54.79 52.66 2vvi n ASP 97 Cb 0.19 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 2vvi n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2vvi n GLY 98 N 1.28 1.24 3.72 6.12 0.00 -0.83 -4.75 105.19 111.97 2vvi n GLY 98 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2vvi n GLY 98 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vvi s GLY 99 N -2.26 1.34 -0.05 -0.02 0.00 -1.20 -4.76 107.32 100.37 2vvi s GLY 99 Ca 0.00 1.59 0.01 0.00 0.00 0.00 0.00 44.72 46.33 2vvi s GLY 99 CO 0.00 2.83 -0.06 -0.42 0.00 0.00 0.00 173.10 175.46 2vvi s ILE 100 N 1.00 0.64 0.09 0.90 1.01 -0.41 -0.84 121.20 123.59 2vvi s ILE 100 Ca 0.73 -0.18 0.10 0.00 0.00 0.00 0.00 60.65 61.30 2vvi s ILE 100 Cb -0.50 -0.65 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 2vvi s ILE 100 CO 0.35 0.25 -0.26 0.00 0.00 0.00 0.00 174.94 175.27 2vvi s ILE 102 N -0.95 1.78 0.02 0.00 -5.25 0.11 -0.60 121.20 116.31 2vvi s ILE 102 Ca 0.13 -1.19 -0.03 0.00 -0.99 0.00 0.00 60.65 58.57 2vvi s ILE 102 Cb -0.10 -1.53 -0.01 0.00 2.95 0.00 0.00 42.46 43.77 2vvi s ILE 102 CO 0.04 0.29 0.04 0.00 -1.79 0.00 0.00 174.94 173.53 2vvi s ALA 103 N -0.74 -0.02 0.08 2.27 0.00 0.12 -0.88 121.76 122.59 2vvi s ALA 103 Ca 0.09 -0.48 -0.06 0.00 0.00 0.00 0.00 51.96 51.50 2vvi s ALA 103 Cb -0.09 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 2vvi s ALA 103 CO 0.01 -0.21 0.13 -0.98 0.00 0.00 0.00 175.76 174.71 2vvi s ARG 104 N -1.77 0.80 -0.15 0.00 1.70 -0.36 -0.14 118.95 119.02 2vvi s ARG 104 Ca -0.12 -1.06 -0.07 0.00 -0.47 0.00 0.00 55.73 54.01 2vvi s ARG 104 Cb -0.07 0.30 0.07 0.00 -0.57 0.00 0.00 34.95 34.68 2vvi s ARG 104 CO -0.01 -0.23 0.35 1.21 -1.08 0.00 0.00 175.30 175.53 2vvi s ASN 105 N -2.89 -0.20 -0.27 -2.89 2.47 -0.59 -1.35 114.94 109.22 2vvi s ASN 105 Ca 0.07 0.77 -0.10 0.00 0.42 0.00 0.00 52.86 54.03 2vvi s ASN 105 Cb 0.06 0.82 -0.04 0.00 -1.45 0.00 0.00 41.25 40.64 2vvi s ASN 105 CO -0.10 -0.21 0.15 -1.81 -3.72 0.00 0.00 177.10 171.41 2vvi s ASP 106 N 1.91 5.75 -0.17 -4.21 1.01 -0.99 -1.06 116.67 118.91 2vvi s ASP 106 Ca -0.05 -0.06 -0.02 0.00 0.71 0.00 0.00 52.55 53.13 2vvi s ASP 106 Cb -0.11 -2.06 -0.01 0.00 1.01 0.00 0.00 42.92 41.76 2vvi s ASP 106 CO -0.11 -0.03 -0.08 -0.63 0.21 0.00 0.00 175.17 174.53 2vvi s ILE 107 N 1.63 3.32 0.28 0.77 1.01 0.36 -2.19 121.20 126.39 2vvi s ILE 107 Ca 0.07 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.23 2vvi s ILE 107 Cb -0.15 -2.46 -0.06 0.00 0.01 0.00 0.00 42.46 39.80 2vvi s ILE 107 CO 0.08 0.48 -0.01 0.42 0.00 0.00 0.00 174.94 175.90 2vvi s THR 108 N 0.84 1.39 -0.01 2.92 -4.23 -0.61 -2.30 115.64 113.64 2vvi s THR 108 Ca -0.02 -2.07 0.01 0.00 -1.18 0.00 0.00 61.69 58.43 2vvi s THR 108 Cb -0.15 -2.53 0.01 0.00 1.34 0.00 0.00 72.50 71.17 2vvi s THR 108 CO 0.01 -0.22 -0.03 -0.32 -0.54 0.00 0.00 174.62 173.52 2vvi s MET 109 N -3.80 0.39 -0.10 3.99 1.75 -1.26 -0.19 119.30 120.08 2vvi s MET 109 Ca 0.31 -0.09 -0.03 0.00 -1.25 0.00 0.00 55.69 54.62 2vvi s MET 109 Cb 0.06 -0.42 0.05 0.00 2.84 0.00 0.00 34.83 37.35 2vvi s MET 109 CO 0.12 0.02 0.11 -1.83 -0.65 0.00 0.00 175.02 172.79 2vvi s GLU 110 N 0.27 0.01 6.32 4.11 -1.05 -0.98 -4.92 118.70 122.46 2vvi s GLU 110 Ca -0.03 0.30 0.00 0.00 -0.15 0.00 0.00 54.97 55.09 2vvi s GLU 110 Cb -0.06 -0.85 0.00 0.00 -0.44 0.00 0.00 34.13 32.78 2vvi s GLU 110 CO -0.00 -0.44 0.00 0.41 0.95 0.00 0.00 175.26 176.17 2vvi n GLY 111 N 5.30 1.02 1.45 -3.83 0.00 -1.26 -3.49 105.19 104.38 2vvi n GLY 111 Ca -0.05 -0.58 -0.01 0.00 0.00 0.00 0.00 46.02 45.39 2vvi n GLY 111 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2vvi n ASP 112 N 6.35 4.04 -4.20 1.61 5.75 -1.26 -4.95 116.55 123.88 2vvi n ASP 112 Ca 0.00 -3.27 -0.30 0.00 -0.01 0.00 0.00 54.79 51.21 2vvi n ASP 112 Cb 0.00 -0.66 -0.17 0.00 -1.03 0.00 0.00 41.12 39.27 2vvi n ASP 112 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2vvi s THR 113 N -2.99 1.83 -0.10 2.12 2.01 -1.23 -0.35 115.64 116.93 2vvi s THR 113 Ca 0.49 -0.92 -0.19 0.00 0.31 0.00 0.00 61.69 61.37 2vvi s THR 113 Cb 0.40 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 2vvi s THR 113 CO 0.09 0.51 0.52 -0.36 -0.69 0.00 0.00 174.62 174.70 2vvi s PHE 114 N 0.10 3.54 -0.18 4.92 0.08 0.27 -2.33 117.98 124.38 2vvi s PHE 114 Ca -0.09 0.97 -0.06 0.00 0.12 0.00 0.00 56.93 57.87 2vvi s PHE 114 Cb -0.15 -2.60 -0.03 0.00 -0.57 0.00 0.00 43.02 39.67 2vvi s PHE 114 CO 0.05 0.17 0.03 0.71 -0.10 0.00 0.00 175.22 176.08 2vvi s TYR 115 N 0.59 3.14 -0.21 0.36 1.51 0.73 -0.63 117.35 122.84 2vvi s TYR 115 Ca 0.28 -0.16 -0.01 0.00 -1.01 0.00 0.00 57.07 56.18 2vvi s TYR 115 Cb -0.16 -2.06 0.01 0.00 -0.11 0.00 0.00 41.96 39.65 2vvi s TYR 115 CO 0.12 -0.01 -0.13 -0.80 -1.11 0.00 0.00 175.55 173.63 2vvi s ASN 116 N 0.59 3.73 -0.54 2.29 0.01 -0.05 -1.57 114.94 119.39 2vvi s ASN 116 Ca 0.01 -0.65 -0.13 0.00 -0.71 0.00 0.00 52.86 51.38 2vvi s ASN 116 Cb -0.14 -1.59 0.13 0.00 0.41 0.00 0.00 41.25 40.07 2vvi s ASN 116 CO 0.02 -0.04 0.46 -0.75 -1.51 0.00 0.00 177.10 175.28 2vvi s LYS 117 N 1.34 2.82 -0.12 -0.60 2.20 -0.93 -1.93 119.74 122.53 2vvi s LYS 117 Ca 0.04 -1.83 -0.03 0.00 -0.36 0.00 0.00 55.97 53.79 2vvi s LYS 117 Cb -0.14 -4.14 -0.03 0.00 -1.51 0.00 0.00 37.83 32.00 2vvi s LYS 117 CO -0.08 -1.27 -0.02 0.08 -0.36 0.00 0.00 175.35 173.69 2vvi s VAL 118 N 1.32 4.05 -0.05 4.02 1.01 -0.40 -2.34 120.40 128.02 2vvi s VAL 118 Ca 0.06 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.78 2vvi s VAL 118 Cb -0.26 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 2vvi s VAL 118 CO 0.00 0.54 -0.23 -0.13 0.00 0.00 0.00 175.10 175.29 2vvi s ARG 119 N -0.21 2.21 -0.05 2.72 1.81 -0.46 -1.58 118.95 123.39 2vvi s ARG 119 Ca 0.04 -0.81 -0.01 0.00 -1.72 0.00 0.00 55.73 53.24 2vvi s ARG 119 Cb -0.13 -1.93 0.03 0.00 -0.45 0.00 0.00 34.95 32.47 2vvi s ARG 119 CO 0.02 0.37 0.02 0.12 -0.68 0.00 0.00 175.30 175.15 2vvi s PHE 120 N -0.18 0.37 -0.03 -0.53 2.19 -1.06 -1.22 117.98 117.52 2vvi s PHE 120 Ca -0.01 0.01 0.02 0.00 0.33 0.00 0.00 56.93 57.28 2vvi s PHE 120 Cb -0.12 -0.57 0.01 0.00 -1.31 0.00 0.00 43.02 41.03 2vvi s PHE 120 CO 0.02 -0.21 -0.08 -1.01 1.83 0.00 0.00 175.22 175.77 2vvi s HIS 121 N 1.64 0.85 0.00 10.12 3.76 -0.06 -1.07 115.29 130.53 2vvi s HIS 121 Ca -0.01 -0.21 -0.01 0.00 -0.15 0.00 0.00 55.06 54.69 2vvi s HIS 121 Cb -0.13 -0.62 -0.00 0.00 1.11 0.00 0.00 32.58 32.94 2vvi s HIS 121 CO -0.03 -0.10 0.01 0.20 -0.85 0.00 0.00 174.74 173.97 2vvi s GLY 122 N 0.26 0.07 0.10 -2.22 0.00 -0.04 0.05 107.32 105.53 2vvi s GLY 122 Ca -0.04 -0.15 0.01 0.00 0.00 0.00 0.00 44.72 44.54 2vvi s GLY 122 CO 0.00 -0.18 -0.05 -1.34 0.00 0.00 0.00 173.10 171.53 2vvi s VAL 123 N -0.49 0.61 -1.42 1.40 -7.23 0.34 -1.14 120.40 112.47 2vvi s VAL 123 Ca -0.05 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 2vvi s VAL 123 Cb -0.03 -1.71 0.00 0.00 0.56 0.00 0.00 36.38 35.19 2vvi s VAL 123 CO -0.00 -0.84 0.00 0.59 -0.31 0.00 0.00 175.10 174.53 2vvi n ASN 124 N -0.04 -4.66 -4.67 4.85 3.02 -1.26 -1.29 115.26 111.20 2vvi n ASN 124 Ca -0.12 0.15 -0.43 0.00 -0.03 0.00 0.00 54.58 54.16 2vvi n ASN 124 Cb 0.61 -3.67 -0.02 0.00 -0.61 0.00 0.00 39.78 36.09 2vvi n ASN 124 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2vvi s PHE 125 N -2.67 2.81 0.36 3.10 0.08 -1.26 -3.26 117.98 117.14 2vvi s PHE 125 Ca 0.00 0.92 -0.28 0.00 0.12 0.00 0.00 56.93 57.69 2vvi s PHE 125 Cb 0.00 -3.56 -0.11 0.00 -0.57 0.00 0.00 43.02 38.78 2vvi s PHE 125 CO 0.00 -1.99 1.45 -2.14 -0.10 0.00 0.00 175.22 172.45 2vvi s PRO 126 N 3.14 4.17 0.38 0.24 0.02 -1.26 -4.90 135.00 136.78 2vvi s PRO 126 Ca 0.58 2.49 0.14 0.00 0.02 0.00 0.00 61.00 64.24 2vvi s PRO 126 Cb -0.25 -3.00 0.98 0.00 0.02 0.00 0.00 34.50 32.25 2vvi s PRO 126 CO 0.20 -0.46 1.82 0.00 -0.33 0.00 0.00 177.00 178.23 2vvi h ALA 127 N 3.23 2.05 -0.55 -1.55 0.00 -1.98 -1.64 119.26 118.82 2vvi h ALA 127 Ca -0.50 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2vvi h ALA 127 Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2vvi h ALA 127 CO 0.66 -0.37 0.00 0.09 0.00 0.00 0.00 179.25 179.62 2vvi n ASN 128 N -4.60 3.87 -4.89 0.00 3.02 -1.26 -4.26 115.26 107.14 2vvi n ASN 128 Ca 0.21 -2.22 -0.29 0.00 -0.03 0.00 0.00 54.58 52.25 2vvi n ASN 128 Cb 0.68 -0.44 0.07 0.00 -0.61 0.00 0.00 39.78 39.48 2vvi n ASN 128 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2vvi s GLY 129 N -1.06 1.61 0.62 7.41 0.00 -0.62 -4.86 107.32 110.43 2vvi s GLY 129 Ca 0.41 -0.52 0.39 0.00 0.00 0.00 0.00 44.72 45.00 2vvi s GLY 129 CO 0.23 -0.09 2.26 -0.56 0.00 0.00 0.00 173.10 174.95 2vvi h PRO 130 N -0.86 0.00 0.03 2.90 0.13 -1.94 -2.15 132.00 130.11 2vvi h PRO 130 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2vvi h PRO 130 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2vvi h PRO 130 CO 0.65 0.01 -0.02 0.28 -0.23 0.00 0.00 178.00 178.70 2vvi h VAL 131 N 0.00 1.31 0.00 1.56 2.07 -1.93 0.14 116.25 119.41 2vvi h VAL 131 Ca -0.00 -1.74 -0.09 0.00 0.82 0.00 0.00 66.70 65.69 2vvi h VAL 131 Cb 0.13 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 2vvi h VAL 131 CO 0.00 0.40 -0.42 0.24 0.02 0.00 0.00 177.57 177.82 2vvi h MET 132 N -0.89 0.00 -0.01 1.57 2.86 -1.75 0.11 114.93 116.81 2vvi h MET 132 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2vvi h MET 132 Cb 0.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 2vvi h MET 132 CO 0.01 0.42 -0.01 1.04 1.06 0.00 0.00 176.91 179.43 2vvi n GLN 133 N -3.59 1.52 -3.70 1.72 1.13 -0.82 -4.67 117.38 108.97 2vvi n GLN 133 Ca -0.00 -0.77 -0.25 0.00 -1.94 0.00 0.00 57.00 54.04 2vvi n GLN 133 Cb 0.53 -1.48 0.03 0.00 0.11 0.00 0.00 30.24 29.42 2vvi n GLN 133 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2vvi n LYS 134 N -0.07 -3.14 -0.44 -1.09 5.02 -0.94 -4.93 118.16 112.56 2vvi n LYS 134 Ca 0.20 0.55 0.08 0.00 -2.02 0.00 0.00 58.31 57.12 2vvi n LYS 134 Cb 0.31 -4.77 0.26 0.00 -0.02 0.00 0.00 35.03 30.81 2vvi n LYS 134 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2vvi n LYS 135 N -4.17 3.24 -3.51 1.97 4.76 0.46 -4.99 118.16 115.92 2vvi n LYS 135 Ca -0.21 -2.66 -0.33 0.00 -2.87 0.00 0.00 58.31 52.24 2vvi n LYS 135 Cb 0.65 -1.73 -0.05 0.00 -1.84 0.00 0.00 35.03 32.05 2vvi n LYS 135 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2vvi s THR 136 N -2.10 5.02 -0.16 -0.18 -4.23 -1.25 -0.93 115.64 111.81 2vvi s THR 136 Ca 0.40 0.38 -0.04 0.00 -1.18 0.00 0.00 61.69 61.25 2vvi s THR 136 Cb 0.28 -3.64 -0.08 0.00 1.34 0.00 0.00 72.50 70.41 2vvi s THR 136 CO 0.15 0.05 -0.17 0.18 -0.54 0.00 0.00 174.62 174.29 2vvi n LEU 137 N 0.20 1.95 -3.58 4.79 4.77 0.12 -4.82 117.00 120.42 2vvi n LEU 137 Ca -0.02 0.07 -0.05 0.00 -0.03 0.00 0.00 56.01 55.98 2vvi n LEU 137 Cb 0.52 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 2vvi n LEU 137 CO 0.45 0.52 0.89 -1.59 -1.33 0.00 0.00 177.39 176.34 2vvi s LYS 138 N -2.30 0.54 0.06 3.23 -2.85 -1.21 -4.99 119.74 112.23 2vvi s LYS 138 Ca -0.21 -0.22 -0.29 0.00 -1.00 0.00 0.00 55.97 54.24 2vvi s LYS 138 Cb 0.07 0.23 -0.05 0.00 -2.06 0.00 0.00 37.83 36.03 2vvi s LYS 138 CO 0.31 -0.24 0.94 -1.58 0.10 0.00 0.00 175.35 174.88 2vvi s TRP 139 N -2.70 3.74 0.61 1.78 0.52 -1.26 -0.05 118.94 121.58 2vvi s TRP 139 Ca 0.09 1.72 -0.15 0.00 0.02 0.00 0.00 56.10 57.77 2vvi s TRP 139 Cb -0.00 -3.05 -0.03 0.00 -1.15 0.00 0.00 33.47 29.24 2vvi s TRP 139 CO -0.05 0.13 1.07 -1.21 0.02 0.00 0.00 176.95 176.90 2vvi s GLU 140 N 0.39 3.19 0.47 4.98 0.41 -0.48 -4.70 118.70 122.96 2vvi s GLU 140 Ca 0.48 1.24 -0.24 0.00 -0.41 0.00 0.00 54.97 56.03 2vvi s GLU 140 Cb -0.22 -2.01 -0.08 0.00 -1.78 0.00 0.00 34.13 30.04 2vvi s GLU 140 CO 0.28 -0.92 1.40 -2.30 -0.49 0.00 0.00 175.26 173.23 2vvi n PRO 141 N -2.16 2.07 -4.07 0.39 -0.02 -1.26 -4.72 135.00 125.23 2vvi n PRO 141 Ca 0.09 0.74 -0.14 0.00 -2.02 0.00 0.00 63.50 62.18 2vvi n PRO 141 Cb 0.53 -2.59 -0.04 0.00 -0.02 0.00 0.00 33.50 31.37 2vvi n PRO 141 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2vvi s SER 142 N -0.59 0.75 -0.08 2.55 0.01 -1.03 -4.96 113.70 110.35 2vvi s SER 142 Ca 0.64 -1.41 -0.01 0.00 1.31 0.00 0.00 55.95 56.48 2vvi s SER 142 Cb -0.45 0.66 0.03 0.00 0.21 0.00 0.00 66.02 66.47 2vvi s SER 142 CO 0.55 -1.29 -0.00 -0.89 0.41 0.00 0.00 173.24 172.02 2vvi s THR 143 N -3.15 0.43 0.08 1.44 2.01 -1.26 -1.85 115.64 113.34 2vvi s THR 143 Ca 0.29 0.06 -0.22 0.00 0.31 0.00 0.00 61.69 62.13 2vvi s THR 143 Cb -0.00 -0.59 -0.07 0.00 0.01 0.00 0.00 72.50 71.85 2vvi s THR 143 CO 0.18 0.24 0.66 -0.70 -0.69 0.00 0.00 174.62 174.32 2vvi s GLU 144 N 1.95 4.38 -0.25 4.92 2.12 -0.05 -4.67 118.70 127.10 2vvi s GLU 144 Ca 0.05 0.91 -0.11 0.00 0.36 0.00 0.00 54.97 56.18 2vvi s GLU 144 Cb -0.12 -3.29 -0.05 0.00 0.26 0.00 0.00 34.13 30.93 2vvi s GLU 144 CO -0.06 0.51 0.18 0.15 -0.54 0.00 0.00 175.26 175.50 2vvi s LYS 145 N -0.76 4.03 -0.17 4.30 1.02 0.73 -0.79 119.74 128.10 2vvi s LYS 145 Ca 0.33 -0.28 -0.06 0.00 0.02 0.00 0.00 55.97 55.98 2vvi s LYS 145 Cb -0.20 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.48 2vvi s LYS 145 CO 0.21 -0.03 0.02 -1.64 -0.92 0.00 0.00 175.35 172.99 2vvi s MET 146 N 1.33 3.84 0.22 1.68 -1.94 0.64 -0.22 119.30 124.85 2vvi s MET 146 Ca 0.07 -0.41 -0.22 0.00 -1.71 0.00 0.00 55.69 53.43 2vvi s MET 146 Cb -0.14 -3.09 0.05 0.00 2.01 0.00 0.00 34.83 33.65 2vvi s MET 146 CO 0.07 0.28 0.65 1.52 -0.01 0.00 0.00 175.02 177.53 2vvi s TYR 147 N 0.32 -0.36 -0.10 -0.03 -0.85 -0.52 -1.33 117.35 114.48 2vvi s TYR 147 Ca 0.01 0.03 -0.21 0.00 -0.52 0.00 0.00 57.07 56.38 2vvi s TYR 147 Cb -0.13 0.62 -0.04 0.00 0.38 0.00 0.00 41.96 42.79 2vvi s TYR 147 CO 0.01 -1.03 0.58 0.08 -1.52 0.00 0.00 175.55 173.68 2vvi s VAL 148 N -3.83 5.12 -0.06 -3.49 1.01 -1.26 -0.20 120.40 117.69 2vvi s VAL 148 Ca 0.06 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.23 2vvi s VAL 148 Cb -0.03 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.45 2vvi s VAL 148 CO -0.03 0.28 -0.04 -0.60 0.00 0.00 0.00 175.10 174.71 2vvi s ARG 149 N 0.76 0.90 -1.45 2.72 3.52 -0.19 -4.85 118.95 120.36 2vvi s ARG 149 Ca 0.31 -0.09 -0.09 0.00 -0.13 0.00 0.00 55.73 55.74 2vvi s ARG 149 Cb -0.16 -0.97 0.01 0.00 -1.56 0.00 0.00 34.95 32.26 2vvi s ARG 149 CO 0.14 -0.14 0.22 -3.47 -0.81 0.00 0.00 175.30 171.24 2vvi n ASP 150 N 4.37 -0.50 0.00 -2.12 2.03 -1.26 -1.79 116.55 117.28 2vvi n ASP 150 Ca -0.19 -1.25 0.00 0.00 0.52 0.00 0.00 54.79 53.87 2vvi n ASP 150 Cb 0.51 -1.81 0.00 0.00 -0.72 0.00 0.00 41.12 39.10 2vvi n ASP 150 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2vvi n GLY 151 N -2.39 0.40 3.03 0.27 0.00 -1.26 -5.00 105.19 100.25 2vvi n GLY 151 Ca -0.27 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 2vvi n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vvi s VAL 152 N -1.91 1.00 -0.07 1.61 1.01 -0.74 -5.10 120.40 116.20 2vvi s VAL 152 Ca 0.00 -0.46 -0.33 0.00 0.00 0.00 0.00 61.98 61.20 2vvi s VAL 152 Cb 0.00 -0.90 -0.11 0.00 0.00 0.00 0.00 36.38 35.37 2vvi s VAL 152 CO 0.00 0.31 1.93 -0.11 0.00 0.00 0.00 175.10 177.23 2vvi n LEU 153 N 3.45 3.62 -4.21 3.92 7.94 -1.25 -1.02 117.00 129.44 2vvi n LEU 153 Ca -0.20 0.92 -0.31 0.00 -1.11 0.00 0.00 56.01 55.31 2vvi n LEU 153 Cb 0.53 -1.42 -0.17 0.00 0.53 0.00 0.00 43.42 42.90 2vvi n LEU 153 CO 0.25 -0.01 -0.55 -0.89 -1.11 0.00 0.00 177.39 175.07 2vvi s THR 154 N 4.40 1.95 -0.24 1.96 2.01 0.72 -0.80 115.64 125.65 2vvi s THR 154 Ca 0.92 -0.97 -0.08 0.00 0.31 0.00 0.00 61.69 61.87 2vvi s THR 154 Cb -0.62 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.18 2vvi s THR 154 CO 0.49 0.54 0.09 -0.83 -0.69 0.00 0.00 174.62 174.21 2vvi s GLY 155 N 0.22 1.81 -0.12 4.40 0.00 0.10 -1.43 107.32 112.30 2vvi s GLY 155 Ca -0.14 -1.05 0.01 0.00 0.00 0.00 0.00 44.72 43.53 2vvi s GLY 155 CO 0.07 0.46 -0.14 0.99 0.00 0.00 0.00 173.10 174.48 2vvi s ASP 156 N 1.41 3.95 -0.16 1.64 1.11 0.70 -0.88 116.67 124.43 2vvi s ASP 156 Ca 0.06 -0.33 -0.13 0.00 0.18 0.00 0.00 52.55 52.32 2vvi s ASP 156 Cb -0.15 -1.50 0.04 0.00 1.07 0.00 0.00 42.92 42.39 2vvi s ASP 156 CO 0.04 0.19 0.42 -0.51 1.18 0.00 0.00 175.17 176.49 2vvi s ILE 157 N 0.21 -0.00 -0.32 0.77 2.07 -0.66 -0.19 121.20 123.08 2vvi s ILE 157 Ca -0.09 0.02 -0.10 0.00 -1.41 0.00 0.00 60.65 59.07 2vvi s ILE 157 Cb -0.15 -0.59 -0.01 0.00 0.13 0.00 0.00 42.46 41.84 2vvi s ILE 157 CO 0.05 0.01 0.17 0.42 -1.91 0.00 0.00 174.94 173.68 2vvi s THR 158 N 0.45 4.68 0.32 4.00 -4.23 -1.26 -0.48 115.64 119.13 2vvi s THR 158 Ca -0.02 -0.41 0.08 0.00 -1.18 0.00 0.00 61.69 60.15 2vvi s THR 158 Cb -0.04 -3.40 -0.03 0.00 1.34 0.00 0.00 72.50 70.37 2vvi s THR 158 CO -0.02 0.04 0.24 -0.04 -0.54 0.00 0.00 174.62 174.31 2vvi s MET 159 N 1.62 2.68 -0.02 3.99 1.00 0.15 -4.79 119.30 123.92 2vvi s MET 159 Ca 0.05 -1.31 -0.00 0.00 0.00 0.00 0.00 55.69 54.42 2vvi s MET 159 Cb -0.17 -2.43 0.03 0.00 0.00 0.00 0.00 34.83 32.26 2vvi s MET 159 CO 0.07 0.15 0.04 0.00 0.00 0.00 0.00 175.02 175.28 2vvi s ALA 160 N -2.30 0.02 -0.03 3.03 0.00 -1.26 -0.69 121.76 120.52 2vvi s ALA 160 Ca 0.39 0.32 -0.24 0.00 0.00 0.00 0.00 51.96 52.43 2vvi s ALA 160 Cb -0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 2vvi s ALA 160 CO 0.25 -0.10 0.72 -0.51 0.00 0.00 0.00 175.76 176.12 2vvi s LEU 161 N 0.94 4.36 0.10 0.00 1.43 -0.07 -1.39 118.68 124.05 2vvi s LEU 161 Ca -0.08 1.27 -0.30 0.00 -1.03 0.00 0.00 54.13 53.99 2vvi s LEU 161 Cb -0.11 -3.13 -0.06 0.00 0.03 0.00 0.00 46.19 42.92 2vvi s LEU 161 CO -0.03 -0.07 1.11 -0.22 0.23 0.00 0.00 176.35 177.36 2vvi s LEU 162 N 0.53 4.42 0.27 1.79 2.96 0.92 -0.66 118.68 128.91 2vvi s LEU 162 Ca 0.38 1.97 0.07 0.00 -0.22 0.00 0.00 54.13 56.33 2vvi s LEU 162 Cb -0.19 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.88 2vvi s LEU 162 CO 0.20 -0.31 0.23 -0.76 -1.32 0.00 0.00 176.35 174.38 2vvi s LEU 163 N 0.44 3.79 0.21 -0.68 1.43 -0.35 0.10 118.68 123.62 2vvi s LEU 163 Ca 0.53 -0.29 -0.31 0.00 -1.03 0.00 0.00 54.13 53.04 2vvi s LEU 163 Cb -0.27 -2.34 -0.10 0.00 0.03 0.00 0.00 46.19 43.50 2vvi s LEU 163 CO 0.31 -0.11 1.52 -1.61 0.23 0.00 0.00 176.35 176.69 2vvi s GLU 164 N -3.88 4.23 0.00 1.70 2.02 -0.10 -1.93 118.70 120.73 2vvi s GLU 164 Ca 0.35 2.36 0.00 0.00 0.02 0.00 0.00 54.97 57.69 2vvi s GLU 164 Cb -0.07 -3.13 0.00 0.00 0.10 0.00 0.00 34.13 31.03 2vvi s GLU 164 CO 0.25 -0.54 0.00 0.41 0.02 0.00 0.00 175.26 175.40 2vvi n GLY 165 N 3.06 0.62 2.89 -1.39 0.00 -1.26 -4.60 105.19 104.52 2vvi n GLY 165 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2vvi n GLY 165 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2vvi n ASN 166 N 0.00 -0.74 -4.75 1.61 3.02 -0.81 -5.04 115.26 108.55 2vvi n ASN 166 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 2vvi n ASN 166 Cb 0.00 -0.41 0.12 0.00 -0.61 0.00 0.00 39.78 38.88 2vvi n ASN 166 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vvi s ALA 167 N -3.26 1.79 0.15 5.41 0.00 -1.26 -4.79 121.76 119.80 2vvi s ALA 167 Ca 0.00 -0.12 0.09 0.00 0.00 0.00 0.00 51.96 51.93 2vvi s ALA 167 Cb 0.00 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 2vvi s ALA 167 CO 0.00 -2.14 -0.14 -1.01 0.00 0.00 0.00 175.76 172.47 2vvi s HIS 168 N -3.02 2.57 -0.21 0.00 3.76 -1.26 -1.21 115.29 115.92 2vvi s HIS 168 Ca 0.63 -0.24 -0.01 0.00 -0.15 0.00 0.00 55.06 55.28 2vvi s HIS 168 Cb -0.17 -1.31 0.06 0.00 1.11 0.00 0.00 32.58 32.28 2vvi s HIS 168 CO 0.56 0.46 -0.01 -0.47 -0.85 0.00 0.00 174.74 174.43 2vvi s TYR 169 N -1.45 1.70 0.16 1.40 5.04 0.17 -4.96 117.35 119.41 2vvi s TYR 169 Ca 0.22 -1.31 -0.28 0.00 -2.44 0.00 0.00 57.07 53.26 2vvi s TYR 169 Cb -0.10 -1.30 -0.07 0.00 0.35 0.00 0.00 41.96 40.84 2vvi s TYR 169 CO 0.13 -0.69 0.86 0.50 -1.34 0.00 0.00 175.55 175.00 2vvi s ARG 170 N 1.63 4.67 -0.05 4.97 3.52 -1.26 -0.90 118.95 131.52 2vvi s ARG 170 Ca -0.03 1.30 0.02 0.00 -0.13 0.00 0.00 55.73 56.88 2vvi s ARG 170 Cb -0.18 -3.31 0.02 0.00 -1.56 0.00 0.00 34.95 29.92 2vvi s ARG 170 CO -0.07 0.43 -0.09 0.00 -0.81 0.00 0.00 175.30 174.76 2vvi s ASP 172 N 0.75 5.22 -0.04 0.00 1.01 0.02 0.29 116.67 123.93 2vvi s ASP 172 Ca -0.13 -0.16 0.06 0.00 0.71 0.00 0.00 52.55 53.03 2vvi s ASP 172 Cb -0.15 -1.93 -0.01 0.00 1.01 0.00 0.00 42.92 41.83 2vvi s ASP 172 CO 0.02 -0.01 -0.22 -0.55 0.21 0.00 0.00 175.17 174.62 2vvi s SER 173 N 1.45 2.68 -0.11 0.27 0.15 0.37 -0.46 113.70 118.05 2vvi s SER 173 Ca 0.06 -0.43 0.02 0.00 0.70 0.00 0.00 55.95 56.29 2vvi s SER 173 Cb -0.15 -0.55 0.01 0.00 -1.71 0.00 0.00 66.02 63.63 2vvi s SER 173 CO 0.04 0.24 -0.15 -0.60 1.20 0.00 0.00 173.24 173.96 2vvi s ARG 174 N -0.28 2.20 -0.09 5.44 3.52 -0.95 -1.65 118.95 127.16 2vvi s ARG 174 Ca 0.02 -0.56 0.04 0.00 -0.13 0.00 0.00 55.73 55.10 2vvi s ARG 174 Cb -0.11 -1.87 -0.01 0.00 -1.56 0.00 0.00 34.95 31.40 2vvi s ARG 174 CO 0.01 -0.05 -0.20 0.99 -0.81 0.00 0.00 175.30 175.24 2vvi s THR 175 N 0.96 2.42 -0.11 4.11 2.01 -0.06 -1.41 115.64 123.56 2vvi s THR 175 Ca -0.07 -0.91 -0.03 0.00 0.31 0.00 0.00 61.69 60.98 2vvi s THR 175 Cb -0.15 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 2vvi s THR 175 CO -0.01 0.56 0.01 0.42 -0.69 0.00 0.00 174.62 174.90 2vvi s THR 176 N 0.06 4.33 -0.04 -0.82 -4.23 -0.47 0.00 115.64 114.48 2vvi s THR 176 Ca -0.09 -0.22 0.06 0.00 -1.18 0.00 0.00 61.69 60.26 2vvi s THR 176 Cb -0.15 -2.86 -0.02 0.00 1.34 0.00 0.00 72.50 70.81 2vvi s THR 176 CO 0.05 0.56 -0.21 -0.31 -0.54 0.00 0.00 174.62 174.18 2vvi s TYR 177 N -0.46 2.50 -0.08 3.99 2.02 0.02 -1.78 117.35 123.56 2vvi s TYR 177 Ca 0.08 -0.37 -0.03 0.00 -0.37 0.00 0.00 57.07 56.38 2vvi s TYR 177 Cb -0.12 -1.57 0.05 0.00 -0.40 0.00 0.00 41.96 39.91 2vvi s TYR 177 CO 0.02 0.02 0.13 0.15 -1.57 0.00 0.00 175.55 174.30 2vvi s LYS 178 N -0.57 0.01 0.41 -0.62 1.02 -0.27 -3.89 119.74 115.83 2vvi s LYS 178 Ca 0.08 0.44 -0.24 0.00 0.02 0.00 0.00 55.97 56.26 2vvi s LYS 178 Cb -0.11 -0.52 -0.08 0.00 -0.52 0.00 0.00 37.83 36.60 2vvi s LYS 178 CO 0.00 -0.36 1.13 0.00 -0.92 0.00 0.00 175.35 175.20 2vvi s ALA 179 N 2.25 3.10 0.14 5.17 0.00 -1.26 -1.19 121.76 129.97 2vvi s ALA 179 Ca 0.04 0.87 -0.12 0.00 0.00 0.00 0.00 51.96 52.74 2vvi s ALA 179 Cb -0.13 -3.34 -0.00 0.00 0.00 0.00 0.00 23.12 19.65 2vvi s ALA 179 CO -0.05 -0.44 1.56 0.87 0.00 0.00 0.00 175.76 177.70 2vvi h LYS 180 N 2.49 0.88 -6.61 0.00 1.57 -1.35 -3.43 116.57 110.11 2vvi h LYS 180 Ca -0.49 -0.33 -0.51 0.00 -1.87 0.00 0.00 60.65 57.46 2vvi h LYS 180 Cb 1.23 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 2vvi h LYS 180 CO 0.62 0.97 0.29 -2.00 -0.57 0.00 0.00 179.45 178.76 2vvi s GLU 181 N -4.83 4.72 0.53 3.15 2.12 -1.26 -5.04 118.70 118.08 2vvi s GLU 181 Ca -0.12 1.36 -0.21 0.00 0.36 0.00 0.00 54.97 56.35 2vvi s GLU 181 Cb 0.11 -3.31 -0.05 0.00 0.26 0.00 0.00 34.13 31.14 2vvi s GLU 181 CO 0.84 0.44 1.26 0.15 -0.54 0.00 0.00 175.26 177.40 2vvi s LYS 182 N -0.80 3.30 -0.48 4.30 1.02 -1.26 -4.01 119.74 121.80 2vvi s LYS 182 Ca 0.41 1.98 0.00 0.00 0.02 0.00 0.00 55.97 58.38 2vvi s LYS 182 Cb -0.24 -2.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 2vvi s LYS 182 CO 0.29 -0.99 0.00 0.41 -0.92 0.00 0.00 175.35 174.14 2vvi n GLY 183 N 0.59 0.73 3.71 -3.33 0.00 -1.26 -5.02 105.19 100.61 2vvi n GLY 183 Ca 0.10 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 2vvi n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vvi s VAL 184 N -2.16 4.06 0.03 1.61 1.01 -1.26 -4.96 120.40 118.73 2vvi s VAL 184 Ca 0.00 1.48 -0.30 0.00 0.00 0.00 0.00 61.98 63.16 2vvi s VAL 184 Cb 0.00 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 2vvi s VAL 184 CO 0.00 0.11 1.48 -0.75 0.00 0.00 0.00 175.10 175.94 2vvi s LYS 185 N 1.11 4.26 0.12 2.72 2.20 -1.26 -5.00 119.74 123.89 2vvi s LYS 185 Ca 0.58 2.08 -0.30 0.00 -0.36 0.00 0.00 55.97 57.98 2vvi s LYS 185 Cb -0.29 -3.56 -0.06 0.00 -1.51 0.00 0.00 37.83 32.41 2vvi s LYS 185 CO 0.29 -0.62 1.00 -0.51 -0.36 0.00 0.00 175.35 175.16 2vvi s LEU 186 N 2.40 4.49 0.86 5.43 1.43 -1.26 -4.72 118.68 127.31 2vvi s LEU 186 Ca 0.67 1.86 -0.12 0.00 -1.03 0.00 0.00 54.13 55.51 2vvi s LEU 186 Cb -0.34 -3.59 0.11 0.00 0.03 0.00 0.00 46.19 42.40 2vvi s LEU 186 CO 0.28 -0.13 1.12 -2.16 0.23 0.00 0.00 176.35 175.69 2vvi s PRO 187 N 0.01 1.56 0.83 1.29 0.04 -1.26 -5.03 135.00 132.43 2vvi s PRO 187 Ca 0.48 0.47 -0.10 0.00 0.04 0.00 0.00 61.00 61.89 2vvi s PRO 187 Cb -0.25 -1.87 0.14 0.00 0.04 0.00 0.00 34.50 32.56 2vvi s PRO 187 CO 0.31 -1.95 1.17 0.20 0.04 0.00 0.00 177.00 176.77 2vvi s GLY 188 N -3.94 1.73 0.12 0.56 0.00 -1.26 -4.69 107.32 99.84 2vvi s GLY 188 Ca 0.62 -1.18 -0.34 0.00 0.00 0.00 0.00 44.72 43.82 2vvi s GLY 188 CO 0.54 -0.57 1.58 2.98 0.00 0.00 0.00 173.10 177.63 2vvi n TYR 189 N -3.33 2.17 -4.01 1.90 9.36 -1.26 -4.75 117.16 117.23 2vvi n TYR 189 Ca 0.13 0.30 -0.12 0.00 3.32 0.00 0.00 57.90 61.52 2vvi n TYR 189 Cb 0.60 -2.52 -0.03 0.00 -0.63 0.00 0.00 39.34 36.76 2vvi n TYR 189 CO 0.00 0.00 0.00 -3.38 0.22 0.00 0.00 176.86 173.70 2vvi s HIS 190 N 1.22 0.71 0.17 2.98 -3.43 -0.45 -4.98 115.29 111.51 2vvi s HIS 190 Ca 0.81 -1.06 0.10 0.00 -0.80 0.00 0.00 55.06 54.11 2vvi s HIS 190 Cb -0.73 0.16 -0.04 0.00 -1.43 0.00 0.00 32.58 30.54 2vvi s HIS 190 CO 0.41 -1.19 -0.18 -0.51 -2.00 0.00 0.00 174.74 171.28 2vvi s LEU 191 N -3.15 2.68 -0.17 5.38 1.43 -0.20 -0.26 118.68 124.39 2vvi s LEU 191 Ca 0.26 -0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 2vvi s LEU 191 Cb -0.01 -1.44 0.05 0.00 0.03 0.00 0.00 46.19 44.81 2vvi s LEU 191 CO 0.16 0.13 -0.02 -0.69 0.23 0.00 0.00 176.35 176.16 2vvi s VAL 192 N -1.51 0.93 0.29 -1.59 1.01 0.03 -0.76 120.40 118.80 2vvi s VAL 192 Ca 0.21 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.30 2vvi s VAL 192 Cb -0.09 -1.21 -0.09 0.00 0.00 0.00 0.00 36.38 34.99 2vvi s VAL 192 CO 0.12 0.01 0.97 -1.81 0.00 0.00 0.00 175.10 174.39 2vvi s ASP 193 N 1.70 7.39 0.10 3.32 1.01 0.20 -0.87 116.67 129.52 2vvi s ASP 193 Ca -0.00 1.95 -0.14 0.00 0.71 0.00 0.00 52.55 55.07 2vvi s ASP 193 Cb -0.16 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.20 2vvi s ASP 193 CO -0.07 -0.03 0.34 -1.38 0.21 0.00 0.00 175.17 174.24 2vvi s HIS 194 N -1.40 -0.12 -0.01 4.23 -3.43 -0.77 -0.95 115.29 112.84 2vvi s HIS 194 Ca 0.47 -0.17 0.02 0.00 -0.80 0.00 0.00 55.06 54.57 2vvi s HIS 194 Cb -0.23 0.17 0.00 0.00 -1.43 0.00 0.00 32.58 31.09 2vvi s HIS 194 CO 0.29 -0.63 -0.05 0.00 -2.00 0.00 0.00 174.74 172.35 2vvi s ILE 196 N 0.19 1.16 -0.06 0.00 2.07 -1.26 -1.77 121.20 121.52 2vvi s ILE 196 Ca -0.02 -0.58 -0.02 0.00 -1.41 0.00 0.00 60.65 58.62 2vvi s ILE 196 Cb -0.06 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.57 2vvi s ILE 196 CO -0.00 0.34 0.12 -0.70 -1.91 0.00 0.00 174.94 172.79 2vvi s GLU 197 N 0.04 0.05 -0.53 3.50 2.12 0.07 -4.52 118.70 119.42 2vvi s GLU 197 Ca -0.02 0.37 -0.28 0.00 0.36 0.00 0.00 54.97 55.40 2vvi s GLU 197 Cb -0.10 -0.23 0.02 0.00 0.26 0.00 0.00 34.13 34.09 2vvi s GLU 197 CO 0.01 -0.20 1.25 0.42 -0.54 0.00 0.00 175.26 176.20 2vvi s ILE 198 N 1.42 4.01 0.05 -3.70 1.01 -1.26 -0.59 121.20 122.13 2vvi s ILE 198 Ca -0.06 0.95 -0.18 0.00 0.00 0.00 0.00 60.65 61.36 2vvi s ILE 198 Cb -0.12 -4.58 -0.16 0.00 0.01 0.00 0.00 42.46 37.62 2vvi s ILE 198 CO -0.05 -1.15 1.28 -0.07 0.00 0.00 0.00 174.94 174.95 2vvi h LEU 199 N 12.00 0.60 -7.58 2.97 3.38 -0.27 -3.47 115.31 122.93 2vvi h LEU 199 Ca -0.25 -0.59 -0.07 0.00 0.09 0.00 0.00 57.88 57.06 2vvi h LEU 199 Cb 1.07 -0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.51 2vvi h LEU 199 CO 1.16 1.08 -0.22 -0.94 0.09 0.00 0.00 178.44 179.61 2vvi s SER 200 N -6.56 -0.08 0.08 -0.43 1.04 -1.19 -5.00 113.70 101.57 2vvi s SER 200 Ca -0.13 -0.42 -0.21 0.00 0.48 0.00 0.00 55.95 55.67 2vvi s SER 200 Cb 0.06 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.63 2vvi s SER 200 CO 0.81 -0.76 0.49 -1.38 0.98 0.00 0.00 173.24 173.38 2vvi s HIS 201 N -3.60 -0.37 0.75 5.02 -3.43 -1.26 -0.30 115.29 112.10 2vvi s HIS 201 Ca 0.02 0.29 -0.08 0.00 -0.80 0.00 0.00 55.06 54.50 2vvi s HIS 201 Cb 0.03 0.34 0.09 0.00 -1.43 0.00 0.00 32.58 31.61 2vvi s HIS 201 CO -0.10 -0.68 1.07 0.16 -2.00 0.00 0.00 174.74 173.19 2vvi s ASP 202 N -2.27 4.45 0.28 7.38 1.47 -0.70 -4.96 116.67 122.33 2vvi s ASP 202 Ca -0.03 0.33 0.03 0.00 1.18 0.00 0.00 52.55 54.07 2vvi s ASP 202 Cb -0.00 -0.84 0.67 0.00 -0.34 0.00 0.00 42.92 42.41 2vvi s ASP 202 CO -0.06 -1.84 1.73 0.50 0.68 0.00 0.00 175.17 176.19 2vvi h LYS 203 N -0.79 0.52 -0.54 2.11 3.64 -2.03 -1.30 116.57 118.18 2vvi h LYS 203 Ca -0.43 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2vvi h LYS 203 Cb 1.30 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2vvi h LYS 203 CO 0.54 0.34 0.00 -0.25 -2.27 0.00 0.00 179.45 177.82 2vvi n ASP 204 N -4.94 4.21 -1.84 4.20 8.00 -1.26 -4.95 116.55 119.98 2vvi n ASP 204 Ca 0.21 -2.40 -0.17 0.00 0.71 0.00 0.00 54.79 53.14 2vvi n ASP 204 Cb 0.58 -0.50 -0.05 0.00 -0.02 0.00 0.00 41.12 41.13 2vvi n ASP 204 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2vvi n TYR 205 N 0.82 -0.56 0.37 1.24 4.02 -0.49 -4.31 117.16 118.25 2vvi n TYR 205 Ca 0.22 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.25 2vvi n TYR 205 Cb 0.78 -3.18 0.53 0.00 -0.02 0.00 0.00 39.34 37.44 2vvi n TYR 205 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 2vvi h ASN 206 N 0.00 0.00 -3.47 7.72 2.35 -1.93 -3.42 115.58 116.84 2vvi h ASN 206 Ca -0.37 0.00 -0.40 0.00 -0.55 0.00 0.00 56.30 54.98 2vvi h ASN 206 Cb 1.18 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 39.22 2vvi h ASN 206 CO 0.50 0.00 -0.77 -0.54 -1.65 0.00 0.00 177.43 174.97 2vvi s LYS 207 N -3.41 0.78 -0.04 0.81 1.02 -1.26 -1.13 119.74 116.51 2vvi s LYS 207 Ca 0.04 -0.09 -0.02 0.00 0.02 0.00 0.00 55.97 55.92 2vvi s LYS 207 Cb 0.09 -0.79 0.02 0.00 -0.52 0.00 0.00 37.83 36.63 2vvi s LYS 207 CO 0.49 -0.08 0.09 0.08 -0.92 0.00 0.00 175.35 175.01 2vvi s VAL 208 N 0.89 -0.03 -0.27 3.17 1.01 -0.57 -1.71 120.40 122.89 2vvi s VAL 208 Ca -0.12 0.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.90 2vvi s VAL 208 Cb -0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 2vvi s VAL 208 CO 0.00 0.04 0.08 -0.75 0.00 0.00 0.00 175.10 174.47 2vvi s LYS 209 N 0.64 3.36 -0.06 2.72 2.20 0.59 0.07 119.74 129.26 2vvi s LYS 209 Ca -0.05 -0.68 0.04 0.00 -0.36 0.00 0.00 55.97 54.92 2vvi s LYS 209 Cb -0.07 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 32.88 2vvi s LYS 209 CO -0.03 -0.32 -0.16 -1.17 -0.36 0.00 0.00 175.35 173.31 2vvi s LEU 210 N 1.56 2.59 0.01 5.43 2.96 0.02 0.53 118.68 131.78 2vvi s LEU 210 Ca 0.05 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 2vvi s LEU 210 Cb -0.16 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 44.99 2vvi s LEU 210 CO 0.03 0.30 -0.12 -0.47 -1.32 0.00 0.00 176.35 174.77 2vvi s TYR 211 N -0.46 1.09 0.01 5.38 5.04 0.24 -0.63 117.35 128.03 2vvi s TYR 211 Ca 0.06 -0.26 0.01 0.00 -2.44 0.00 0.00 57.07 54.43 2vvi s TYR 211 Cb -0.12 -0.68 -0.01 0.00 0.35 0.00 0.00 41.96 41.50 2vvi s TYR 211 CO 0.02 -0.00 -0.03 -2.00 -1.34 0.00 0.00 175.55 172.19 2vvi s GLU 212 N -0.62 0.27 -0.08 4.97 2.12 -0.34 -0.75 118.70 124.27 2vvi s GLU 212 Ca 0.03 -0.28 0.02 0.00 0.36 0.00 0.00 54.97 55.09 2vvi s GLU 212 Cb -0.06 -0.16 0.01 0.00 0.26 0.00 0.00 34.13 34.19 2vvi s GLU 212 CO 0.00 0.04 -0.12 -1.58 -0.54 0.00 0.00 175.26 173.06 2vvi s HIS 213 N -0.51 1.55 -0.01 5.30 5.65 -0.73 -1.81 115.29 124.73 2vvi s HIS 213 Ca -0.04 -0.63 0.02 0.00 0.25 0.00 0.00 55.06 54.66 2vvi s HIS 213 Cb -0.04 -1.15 0.00 0.00 -1.18 0.00 0.00 32.58 30.21 2vvi s HIS 213 CO -0.00 -0.34 -0.07 0.00 -0.65 0.00 0.00 174.74 173.68 2vvi s ALA 214 N 0.86 0.60 -0.05 1.58 0.00 -0.25 -1.35 121.76 123.16 2vvi s ALA 214 Ca -0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 51.96 51.60 2vvi s ALA 214 Cb -0.15 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.79 2vvi s ALA 214 CO 0.01 0.11 -0.00 0.08 0.00 0.00 0.00 175.76 175.96 2vvi s VAL 215 N 0.07 0.34 0.34 0.00 1.01 -0.12 -1.08 120.40 120.96 2vvi s VAL 215 Ca -0.01 0.08 -0.22 0.00 0.00 0.00 0.00 61.98 61.83 2vvi s VAL 215 Cb -0.05 -0.46 -0.10 0.00 0.00 0.00 0.00 36.38 35.77 2vvi s VAL 215 CO -0.00 0.22 0.89 0.00 0.00 0.00 0.00 175.10 176.22 2vvi s ALA 216 N 1.55 3.20 0.25 5.51 0.00 0.42 -0.63 121.76 132.05 2vvi s ALA 216 Ca -0.02 0.39 -0.21 0.00 0.00 0.00 0.00 51.96 52.12 2vvi s ALA 216 Cb -0.13 -3.08 0.03 0.00 0.00 0.00 0.00 23.12 19.94 2vvi s ALA 216 CO -0.03 0.20 0.67 -3.38 0.00 0.00 0.00 175.76 173.22 2vvi s HIS 217 N -1.82 -0.24 -1.33 0.00 -3.43 0.06 -4.43 115.29 104.10 2vvi s HIS 217 Ca 0.53 -0.15 0.28 0.00 -0.80 0.00 0.00 55.06 54.92 2vvi s HIS 217 Cb -0.14 0.64 1.05 0.00 -1.43 0.00 0.00 32.58 32.69 2vvi s HIS 217 CO 0.19 -1.12 1.77 0.43 -2.00 0.00 0.00 174.74 174.01 2vvi n SER 218 N -0.43 0.37 0.00 7.38 7.64 -1.26 -1.03 113.62 126.29 2vvi n SER 218 Ca -0.07 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.58 2vvi n SER 218 Cb 0.61 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2vvi n SER 218 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vvi n GLY 219 N 1.39 -1.35 3.77 0.23 0.00 -1.26 -4.83 105.19 103.14 2vvi n GLY 219 Ca 0.10 -1.54 -0.40 0.00 0.00 0.00 0.00 46.02 44.19 2vvi n GLY 219 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vvi s LEU 220 N -2.39 4.11 -0.17 0.99 1.43 -1.26 -0.41 118.68 120.99 2vvi s LEU 220 Ca 0.00 2.86 0.11 0.00 -1.03 0.00 0.00 54.13 56.07 2vvi s LEU 220 Cb 0.00 -3.96 0.61 0.00 0.03 0.00 0.00 46.19 42.87 2vvi s LEU 220 CO 0.00 -1.15 1.43 -0.81 0.23 0.00 0.00 176.35 176.05 2vvi n PRO 221 N -0.20 3.82 -1.79 1.29 -0.05 -1.26 -4.95 135.00 131.86 2vvi n PRO 221 Ca 0.05 -2.33 -0.32 0.00 -0.05 0.00 0.00 63.50 60.85 2vvi n PRO 221 Cb 0.42 -2.04 0.05 0.00 -0.05 0.00 0.00 33.50 31.88 2vvi n PRO 221 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 2vvi n ASP 222 N 0.50 6.56 0.00 3.54 8.00 0.46 -5.17 116.55 130.45 2vvi n ASP 222 Ca 0.21 -3.78 0.00 0.00 0.71 0.00 0.00 54.79 51.92 2vvi n ASP 222 Cb 0.93 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 2vvi n ASP 222 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35