#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1za3 s ILE 2 N 0.00 3.94 -0.16 0.53 1.01 -1.26 -4.94 121.20 120.32 1za3 s ILE 2 Ca 0.00 0.63 -0.07 0.00 0.00 0.00 0.00 60.65 61.21 1za3 s ILE 2 Cb 0.00 -3.59 0.07 0.00 0.01 0.00 0.00 42.46 38.95 1za3 s ILE 2 CO 0.00 -0.82 0.36 -1.58 0.00 0.00 0.00 174.94 172.89 1za3 s GLN 3 N -5.26 0.27 -0.12 2.79 0.74 -1.26 -4.99 119.66 111.83 1za3 s GLN 3 Ca 0.57 0.86 -0.17 0.00 0.05 0.00 0.00 55.36 56.67 1za3 s GLN 3 Cb -0.11 0.11 -0.04 0.00 1.10 0.00 0.00 33.01 34.07 1za3 s GLN 3 CO 0.53 -0.23 0.43 -1.64 -0.55 0.00 0.00 175.29 173.83 1za3 s MET 4 N 2.19 4.31 -0.20 1.67 -1.94 -1.26 -2.30 119.30 121.77 1za3 s MET 4 Ca -0.03 0.37 0.01 0.00 -1.71 0.00 0.00 55.69 54.33 1za3 s MET 4 Cb -0.11 -3.43 0.03 0.00 2.01 0.00 0.00 34.83 33.33 1za3 s MET 4 CO -0.11 0.19 -0.18 0.99 -0.01 0.00 0.00 175.02 175.90 1za3 s THR 5 N 0.53 2.09 0.44 2.05 2.01 -1.02 -4.03 115.64 117.72 1za3 s THR 5 Ca 0.24 -1.10 0.06 0.00 0.31 0.00 0.00 61.69 61.20 1za3 s THR 5 Cb -0.15 -1.96 0.01 0.00 0.01 0.00 0.00 72.50 70.41 1za3 s THR 5 CO 0.09 0.40 0.61 -1.10 -0.69 0.00 0.00 174.62 173.93 1za3 s GLN 6 N 1.25 2.79 -0.30 4.92 -0.21 -1.26 -0.77 119.66 126.08 1za3 s GLN 6 Ca 0.02 -1.12 -0.12 0.00 0.02 0.00 0.00 55.36 54.16 1za3 s GLN 6 Cb -0.15 -2.70 0.12 0.00 1.00 0.00 0.00 33.01 31.28 1za3 s GLN 6 CO -0.11 -0.34 0.71 -1.12 -2.12 0.00 0.00 175.29 172.30 1za3 s SER 7 N -4.35 -1.02 0.66 5.90 0.01 -0.40 -4.64 113.70 109.85 1za3 s SER 7 Ca 0.55 1.45 -0.02 0.00 1.31 0.00 0.00 55.95 59.24 1za3 s SER 7 Cb -0.10 2.01 0.06 0.00 0.21 0.00 0.00 66.02 68.20 1za3 s SER 7 CO 0.34 -0.21 0.42 -2.65 0.41 0.00 0.00 173.24 171.55 1za3 n PRO 8 N 5.10 0.09 0.13 12.44 -0.02 -1.26 -2.18 135.00 149.30 1za3 n PRO 8 Ca -0.14 -0.96 -0.00 0.00 -2.02 0.00 0.00 63.50 60.38 1za3 n PRO 8 Cb 0.52 -0.33 0.09 0.00 -0.02 0.00 0.00 33.50 33.76 1za3 n PRO 8 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1za3 h SER 9 N -0.36 0.00 -4.78 2.55 0.02 -1.82 -3.41 113.55 105.76 1za3 h SER 9 Ca -0.14 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.71 1za3 h SER 9 Cb 0.46 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 62.80 1za3 h SER 9 CO 0.13 0.63 -0.15 -0.94 -1.14 0.00 0.00 176.83 175.36 1za3 s SER 10 N -6.60 -0.36 0.05 3.07 1.04 -1.26 -0.62 113.70 109.02 1za3 s SER 10 Ca 0.01 0.40 -0.10 0.00 0.48 0.00 0.00 55.95 56.74 1za3 s SER 10 Cb 0.10 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1za3 s SER 10 CO 0.75 -0.43 0.20 -1.48 0.98 0.00 0.00 173.24 173.27 1za3 s LEU 11 N -0.99 1.35 -0.13 2.42 0.05 0.19 -4.88 118.68 116.68 1za3 s LEU 11 Ca -0.10 -0.42 0.02 0.00 0.05 0.00 0.00 54.13 53.68 1za3 s LEU 11 Cb -0.04 1.00 0.00 0.00 -2.05 0.00 0.00 46.19 45.10 1za3 s LEU 11 CO 0.05 -0.60 -0.19 -0.44 -0.55 0.00 0.00 176.35 174.62 1za3 s SER 12 N -2.25 3.40 0.02 1.48 0.01 -1.26 -1.60 113.70 113.50 1za3 s SER 12 Ca -0.03 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.72 1za3 s SER 12 Cb 0.00 -1.50 -0.02 0.00 0.21 0.00 0.00 66.02 64.72 1za3 s SER 12 CO -0.05 0.11 -0.03 0.00 0.41 0.00 0.00 173.24 173.68 1za3 s ALA 13 N 0.64 0.14 0.35 1.44 0.00 -0.98 -4.87 121.76 118.47 1za3 s ALA 13 Ca -0.10 -0.46 -0.06 0.00 0.00 0.00 0.00 51.96 51.33 1za3 s ALA 13 Cb -0.16 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.01 1za3 s ALA 13 CO 0.02 -0.11 0.65 -1.12 0.00 0.00 0.00 175.76 175.21 1za3 s SER 14 N -1.11 6.44 0.19 0.00 0.01 -1.26 -0.89 113.70 117.08 1za3 s SER 14 Ca -0.12 0.86 -0.32 0.00 1.31 0.00 0.00 55.95 57.68 1za3 s SER 14 Cb -0.08 -2.21 -0.15 0.00 0.21 0.00 0.00 66.02 63.80 1za3 s SER 14 CO -0.01 -0.31 1.23 0.52 0.41 0.00 0.00 173.24 175.08 1za3 n VAL 15 N -1.25 0.93 -0.97 3.43 0.31 -1.26 -0.13 118.33 119.39 1za3 n VAL 15 Ca -0.00 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1za3 n VAL 15 Cb 0.54 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 1za3 n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1za3 n GLY 16 N 2.04 0.81 3.85 2.92 0.00 0.26 -4.89 105.19 110.18 1za3 n GLY 16 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1za3 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1za3 s ASP 17 N -2.69 5.74 -0.38 1.61 1.01 0.82 -4.47 116.67 118.32 1za3 s ASP 17 Ca 0.00 1.47 -0.15 0.00 0.71 0.00 0.00 52.55 54.58 1za3 s ASP 17 Cb 0.00 -2.42 0.00 0.00 1.01 0.00 0.00 42.92 41.52 1za3 s ASP 17 CO 0.00 -1.19 0.34 -0.60 0.21 0.00 0.00 175.17 173.93 1za3 s ARG 18 N -5.14 3.29 0.12 8.23 3.00 -1.25 -1.45 118.95 125.76 1za3 s ARG 18 Ca 0.57 -0.69 -0.12 0.00 -1.00 0.00 0.00 55.73 54.48 1za3 s ARG 18 Cb -0.12 -3.89 -0.06 0.00 0.00 0.00 0.00 34.95 30.87 1za3 s ARG 18 CO 0.54 -0.65 0.49 0.08 0.00 0.00 0.00 175.30 175.77 1za3 s VAL 19 N 1.91 4.95 -0.22 7.11 1.01 -0.18 -5.00 120.40 129.99 1za3 s VAL 19 Ca 0.09 0.67 -0.04 0.00 0.00 0.00 0.00 61.98 62.70 1za3 s VAL 19 Cb -0.17 -3.70 0.07 0.00 0.00 0.00 0.00 36.38 32.58 1za3 s VAL 19 CO 0.12 0.25 0.09 -0.89 0.00 0.00 0.00 175.10 174.66 1za3 s THR 20 N -1.45 0.13 -0.23 3.92 2.01 -1.26 -1.74 115.64 117.02 1za3 s THR 20 Ca 0.36 -0.50 -0.05 0.00 0.31 0.00 0.00 61.69 61.81 1za3 s THR 20 Cb -0.14 -0.86 -0.02 0.00 0.01 0.00 0.00 72.50 71.48 1za3 s THR 20 CO 0.19 -0.41 0.01 -0.63 -0.69 0.00 0.00 174.62 173.09 1za3 s ILE 21 N 2.03 3.89 0.21 1.82 1.01 -0.67 -4.80 121.20 124.69 1za3 s ILE 21 Ca 0.04 -0.32 0.08 0.00 0.00 0.00 0.00 60.65 60.45 1za3 s ILE 21 Cb -0.16 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 1za3 s ILE 21 CO -0.17 0.39 0.00 0.28 0.00 0.00 0.00 174.94 175.44 1za3 s THR 22 N 1.39 3.61 -0.21 2.92 -1.32 -0.93 -1.59 115.64 119.52 1za3 s THR 22 Ca 0.05 -1.63 -0.08 0.00 -1.21 0.00 0.00 61.69 58.82 1za3 s THR 22 Cb -0.15 -2.87 0.09 0.00 -1.51 0.00 0.00 72.50 68.07 1za3 s THR 22 CO 0.01 -0.23 0.45 0.00 -2.21 0.00 0.00 174.62 172.64 1za3 s ARG 24 N 2.56 2.94 0.24 0.00 3.52 0.05 -1.84 118.95 126.43 1za3 s ARG 24 Ca -0.03 -0.90 -0.25 0.00 -0.13 0.00 0.00 55.73 54.42 1za3 s ARG 24 Cb -0.12 -2.92 -0.09 0.00 -1.56 0.00 0.00 34.95 30.26 1za3 s ARG 24 CO -0.14 -0.34 0.84 0.00 -0.81 0.00 0.00 175.30 174.86 1za3 s ALA 25 N 1.34 3.35 0.11 6.12 0.00 0.37 -2.44 121.76 130.62 1za3 s ALA 25 Ca 0.02 0.41 0.15 0.00 0.00 0.00 0.00 51.96 52.53 1za3 s ALA 25 Cb -0.16 -3.04 0.36 0.00 0.00 0.00 0.00 23.12 20.28 1za3 s ALA 25 CO -0.06 0.25 1.58 0.66 0.00 0.00 0.00 175.76 178.20 1za3 h SER 26 N 3.72 0.00 -2.06 0.00 4.64 -1.78 -3.44 113.55 114.62 1za3 h SER 26 Ca -0.47 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.27 1za3 h SER 26 Cb 1.20 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.18 1za3 h SER 26 CO 0.66 0.54 -0.66 -1.10 -0.87 0.00 0.00 176.83 175.40 1za3 s GLN 27 N -3.34 2.05 0.07 4.77 -0.21 -1.26 -5.00 119.66 116.74 1za3 s GLN 27 Ca 0.01 -1.66 -0.31 0.00 0.02 0.00 0.00 55.36 53.42 1za3 s GLN 27 Cb 0.10 -1.96 -0.06 0.00 1.00 0.00 0.00 33.01 32.10 1za3 s GLN 27 CO 0.73 0.24 1.22 0.34 -2.12 0.00 0.00 175.29 175.70 1za3 s ASP 28 N -3.66 7.05 -0.12 5.90 -1.08 -1.26 -4.74 116.67 118.76 1za3 s ASP 28 Ca 0.33 2.05 0.16 0.00 -0.52 0.00 0.00 52.55 54.56 1za3 s ASP 28 Cb -0.03 -2.58 0.27 0.00 -1.46 0.00 0.00 42.92 39.12 1za3 s ASP 28 CO 0.19 -0.49 1.14 1.33 0.52 0.00 0.00 175.17 177.85 1za3 n VAL 29 N 3.93 1.64 0.00 1.11 0.24 -0.66 -5.03 118.33 119.56 1za3 n VAL 29 Ca 0.09 -2.07 0.00 0.00 -2.04 0.00 0.00 64.34 60.33 1za3 n VAL 29 Cb 0.46 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 1za3 n VAL 29 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1za3 n ASN 30 N -1.17 0.00 -3.61 -1.34 3.02 -1.25 -3.07 115.26 107.83 1za3 n ASN 30 Ca 0.14 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.41 1za3 n ASN 30 Cb 0.66 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.72 1za3 n ASN 30 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1za3 s THR 31 N 0.00 1.33 -0.10 3.41 -4.23 -1.26 -0.28 115.64 114.51 1za3 s THR 31 Ca 0.00 -3.16 0.19 0.00 -1.18 0.00 0.00 61.69 57.53 1za3 s THR 31 Cb 0.00 -1.90 0.36 0.00 1.34 0.00 0.00 72.50 72.30 1za3 s THR 31 CO 0.00 -1.11 1.16 0.00 -0.54 0.00 0.00 174.62 174.13 1za3 n ALA 32 N 2.67 2.76 -2.62 3.99 0.00 -1.18 -4.54 120.51 121.59 1za3 n ALA 32 Ca 0.23 -1.96 -0.33 0.00 0.00 0.00 0.00 53.44 51.38 1za3 n ALA 32 Cb 0.42 -0.70 -0.10 0.00 0.00 0.00 0.00 19.45 19.07 1za3 n ALA 32 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1za3 s VAL 33 N -0.88 3.84 0.45 0.00 1.01 -1.26 -1.69 120.40 121.87 1za3 s VAL 33 Ca 0.23 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.63 1za3 s VAL 33 Cb 0.30 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1za3 s VAL 33 CO -0.10 0.44 0.13 0.00 0.00 0.00 0.00 175.10 175.57 1za3 s ALA 34 N -0.98 3.70 -0.01 5.51 0.00 -0.62 -1.85 121.76 127.51 1za3 s ALA 34 Ca 0.17 -1.69 0.02 0.00 0.00 0.00 0.00 51.96 50.45 1za3 s ALA 34 Cb -0.11 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.81 1za3 s ALA 34 CO 0.07 -0.16 -0.06 -1.58 0.00 0.00 0.00 175.76 174.03 1za3 s TRP 35 N -2.71 0.61 -0.03 0.00 0.52 0.11 -1.73 118.94 115.72 1za3 s TRP 35 Ca 0.31 -0.13 0.04 0.00 0.02 0.00 0.00 56.10 56.35 1za3 s TRP 35 Cb 0.04 -0.44 -0.01 0.00 -1.15 0.00 0.00 33.47 31.91 1za3 s TRP 35 CO 0.17 -0.05 -0.16 0.71 0.02 0.00 0.00 176.95 177.64 1za3 s TYR 36 N 0.11 1.52 -0.27 -1.98 2.02 -0.16 -0.47 117.35 118.12 1za3 s TYR 36 Ca -0.01 -0.36 -0.10 0.00 -0.37 0.00 0.00 57.07 56.23 1za3 s TYR 36 Cb -0.06 -1.01 -0.04 0.00 -0.40 0.00 0.00 41.96 40.45 1za3 s TYR 36 CO -0.00 -0.09 0.16 -1.14 -1.57 0.00 0.00 175.55 172.91 1za3 s GLN 37 N -0.14 3.89 -0.10 -0.62 0.74 0.54 -1.46 119.66 122.51 1za3 s GLN 37 Ca 0.01 -0.36 0.03 0.00 0.05 0.00 0.00 55.36 55.09 1za3 s GLN 37 Cb -0.09 -3.57 -0.01 0.00 1.10 0.00 0.00 33.01 30.44 1za3 s GLN 37 CO 0.01 -0.17 -0.20 -1.14 -0.55 0.00 0.00 175.29 173.24 1za3 s GLN 38 N 1.69 3.04 0.11 1.67 0.74 0.51 -1.23 119.66 126.19 1za3 s GLN 38 Ca 0.07 -0.80 0.07 0.00 0.05 0.00 0.00 55.36 54.75 1za3 s GLN 38 Cb -0.16 -2.40 -0.04 0.00 1.10 0.00 0.00 33.01 31.52 1za3 s GLN 38 CO 0.09 0.26 -0.10 0.15 -0.55 0.00 0.00 175.29 175.14 1za3 s LYS 39 N 0.18 2.12 0.07 1.67 1.02 -1.26 -1.40 119.74 122.13 1za3 s LYS 39 Ca -0.11 -1.03 -0.37 0.00 0.02 0.00 0.00 55.97 54.47 1za3 s LYS 39 Cb -0.16 -2.30 -0.18 0.00 -0.52 0.00 0.00 37.83 34.67 1za3 s LYS 39 CO 0.06 0.51 1.16 -2.30 -0.92 0.00 0.00 175.35 173.86 1za3 n PRO 40 N 0.68 0.64 0.00 -1.68 -0.02 -1.26 -1.32 135.00 132.04 1za3 n PRO 40 Ca -0.13 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1za3 n PRO 40 Cb 0.52 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1za3 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1za3 n GLY 41 N 2.02 1.95 3.81 -1.23 0.00 -1.26 -4.98 105.19 105.50 1za3 n GLY 41 Ca 0.18 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 1za3 n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1za3 s LYS 42 N 0.00 2.21 0.31 1.61 3.01 -0.44 -5.07 119.74 121.38 1za3 s LYS 42 Ca 0.00 0.66 -0.11 0.00 -1.01 0.00 0.00 55.97 55.51 1za3 s LYS 42 Cb 0.00 -1.93 -0.08 0.00 -1.01 0.00 0.00 37.83 34.81 1za3 s LYS 42 CO 0.00 -1.54 0.67 0.00 0.51 0.00 0.00 175.35 174.99 1za3 s ALA 43 N -3.15 3.42 0.53 5.17 0.00 -1.26 -4.51 121.76 121.96 1za3 s ALA 43 Ca 0.60 -0.16 -0.18 0.00 0.00 0.00 0.00 51.96 52.22 1za3 s ALA 43 Cb -0.14 -2.62 -0.12 0.00 0.00 0.00 0.00 23.12 20.24 1za3 s ALA 43 CO 0.54 0.29 0.17 -2.30 0.00 0.00 0.00 175.76 174.47 1za3 n PRO 44 N -0.57 0.23 -4.60 0.00 -0.02 -1.26 -4.67 135.00 124.11 1za3 n PRO 44 Ca 0.02 0.09 -0.24 0.00 -2.02 0.00 0.00 63.50 61.35 1za3 n PRO 44 Cb 0.53 -1.32 -0.16 0.00 -0.02 0.00 0.00 33.50 32.53 1za3 n PRO 44 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1za3 s LYS 45 N -1.49 1.46 0.05 -0.52 3.01 -0.36 -4.98 119.74 116.91 1za3 s LYS 45 Ca 0.62 -0.44 -0.26 0.00 -1.01 0.00 0.00 55.97 54.89 1za3 s LYS 45 Cb -0.48 -1.27 -0.05 0.00 -1.01 0.00 0.00 37.83 35.02 1za3 s LYS 45 CO 0.61 0.13 0.81 -1.17 0.51 0.00 0.00 175.35 176.23 1za3 s LEU 46 N 0.30 4.45 -0.06 3.17 2.96 -1.26 -0.34 118.68 127.91 1za3 s LEU 46 Ca -0.07 1.52 -0.07 0.00 -0.22 0.00 0.00 54.13 55.29 1za3 s LEU 46 Cb -0.12 -3.31 -0.03 0.00 0.50 0.00 0.00 46.19 43.22 1za3 s LEU 46 CO 0.02 -0.02 -0.15 0.18 -1.32 0.00 0.00 176.35 175.06 1za3 n LEU 47 N 2.89 1.22 -4.25 -0.68 4.77 0.38 -4.85 117.00 116.48 1za3 n LEU 47 Ca -0.01 0.19 -0.30 0.00 -0.03 0.00 0.00 56.01 55.86 1za3 n LEU 47 Cb 0.50 -0.44 -0.16 0.00 -2.33 0.00 0.00 43.42 40.98 1za3 n LEU 47 CO 0.48 -0.24 -0.56 -0.63 -1.33 0.00 0.00 177.39 175.11 1za3 s ILE 48 N -2.32 1.94 0.19 -0.08 1.09 -1.18 -1.40 121.20 119.44 1za3 s ILE 48 Ca -0.14 -1.02 0.07 0.00 -1.10 0.00 0.00 60.65 58.47 1za3 s ILE 48 Cb 0.03 -1.64 -0.05 0.00 -1.06 0.00 0.00 42.46 39.75 1za3 s ILE 48 CO 0.19 0.54 -0.13 -0.72 -0.10 0.00 0.00 174.94 174.72 1za3 s TYR 49 N -0.22 1.61 0.00 3.97 -0.85 -0.33 0.07 117.35 121.60 1za3 s TYR 49 Ca -0.01 -0.62 0.00 0.00 -0.52 0.00 0.00 57.07 55.92 1za3 s TYR 49 Cb -0.13 -0.76 0.00 0.00 0.38 0.00 0.00 41.96 41.45 1za3 s TYR 49 CO 0.03 0.29 0.00 0.00 -1.52 0.00 0.00 175.55 174.35 1za3 n ALA 50 N -0.34 0.00 0.00 9.51 0.00 -1.22 -1.42 120.51 127.05 1za3 n ALA 50 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1za3 n ALA 50 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1za3 n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1za3 n ALA 51 N 0.13 0.00 -0.26 0.00 0.00 -0.77 -3.09 120.51 116.52 1za3 n ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1za3 n ALA 51 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1za3 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1za3 n SER 52 N 0.00 1.16 -4.72 0.00 3.41 -1.23 -2.43 113.62 109.80 1za3 n SER 52 Ca 0.00 -1.41 -0.37 0.00 -0.26 0.00 0.00 58.87 56.82 1za3 n SER 52 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1za3 n SER 52 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1za3 s TYR 53 N -0.41 3.49 -0.34 7.33 1.51 -0.50 -4.51 117.35 123.91 1za3 s TYR 53 Ca 0.00 0.78 -0.29 0.00 -1.01 0.00 0.00 57.07 56.55 1za3 s TYR 53 Cb 0.00 -2.47 0.01 0.00 -0.11 0.00 0.00 41.96 39.38 1za3 s TYR 53 CO 0.00 0.19 1.25 -1.17 -1.11 0.00 0.00 175.55 174.71 1za3 s LEU 54 N 0.57 3.83 0.48 -1.29 2.96 -1.26 -1.19 118.68 122.78 1za3 s LEU 54 Ca 0.22 1.04 -0.24 0.00 -0.22 0.00 0.00 54.13 54.94 1za3 s LEU 54 Cb -0.14 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.94 1za3 s LEU 54 CO 0.08 -1.10 1.35 -0.47 -1.32 0.00 0.00 176.35 174.89 1za3 s TYR 55 N 4.37 2.48 0.13 5.38 5.04 -0.50 -4.88 117.35 129.37 1za3 s TYR 55 Ca 0.54 1.36 -0.34 0.00 -2.44 0.00 0.00 57.07 56.18 1za3 s TYR 55 Cb -0.14 -3.78 -0.14 0.00 0.35 0.00 0.00 41.96 38.25 1za3 s TYR 55 CO 0.24 -2.66 1.60 0.45 -1.34 0.00 0.00 175.55 173.84 1za3 n SER 56 N -0.52 3.07 0.00 4.32 2.88 -1.26 -2.23 113.62 119.89 1za3 n SER 56 Ca 0.07 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1za3 n SER 56 Cb 0.44 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 1za3 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1za3 n GLY 57 N 3.48 1.88 3.75 0.46 0.00 -1.26 -5.03 105.19 108.47 1za3 n GLY 57 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1za3 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1za3 s VAL 58 N -2.59 4.08 0.16 1.61 1.01 -0.95 -5.00 120.40 118.72 1za3 s VAL 58 Ca 0.00 2.07 -0.33 0.00 0.00 0.00 0.00 61.98 63.71 1za3 s VAL 58 Cb 0.00 -4.30 -0.16 0.00 0.00 0.00 0.00 36.38 31.92 1za3 s VAL 58 CO 0.00 0.47 1.20 -2.65 0.00 0.00 0.00 175.10 174.12 1za3 n PRO 59 N 1.42 1.19 0.32 2.72 -0.02 -1.26 -4.90 135.00 134.48 1za3 n PRO 59 Ca -0.02 0.43 0.20 0.00 -2.02 0.00 0.00 63.50 62.09 1za3 n PRO 59 Cb 0.47 -1.95 1.11 0.00 -0.02 0.00 0.00 33.50 33.11 1za3 n PRO 59 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1za3 h SER 60 N 3.60 0.00 0.39 2.55 0.02 -1.99 -2.23 113.55 115.89 1za3 h SER 60 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1za3 h SER 60 Cb 1.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.88 1za3 h SER 60 CO 0.72 0.00 0.00 -2.11 -1.14 0.00 0.00 176.83 174.30 1za3 n ARG 61 N -3.37 0.05 -3.31 3.45 1.85 -1.26 -4.56 116.66 109.51 1za3 n ARG 61 Ca -0.03 0.37 -0.38 0.00 -1.00 0.00 0.00 57.85 56.81 1za3 n ARG 61 Cb 0.08 -1.61 -0.06 0.00 -1.05 0.00 0.00 32.46 29.82 1za3 n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1za3 s PHE 62 N -3.11 3.58 -0.16 2.89 0.40 -0.84 -1.23 117.98 119.50 1za3 s PHE 62 Ca 0.04 0.97 -0.04 0.00 -0.60 0.00 0.00 56.93 57.31 1za3 s PHE 62 Cb 0.07 -2.53 0.08 0.00 0.51 0.00 0.00 43.02 41.14 1za3 s PHE 62 CO 0.22 0.27 0.22 0.45 0.70 0.00 0.00 175.22 177.08 1za3 s SER 63 N 0.24 1.06 -0.15 1.36 0.15 -1.02 -4.93 113.70 110.41 1za3 s SER 63 Ca 0.27 0.04 -0.06 0.00 0.70 0.00 0.00 55.95 56.90 1za3 s SER 63 Cb -0.16 0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 64.53 1za3 s SER 63 CO 0.12 -0.29 0.06 -0.83 1.20 0.00 0.00 173.24 173.50 1za3 s GLY 64 N 2.34 1.94 -0.44 9.45 0.00 -1.26 -0.19 107.32 119.16 1za3 s GLY 64 Ca 0.05 -0.74 0.07 0.00 0.00 0.00 0.00 44.72 44.10 1za3 s GLY 64 CO -0.10 -0.16 1.15 -1.14 0.00 0.00 0.00 173.10 172.85 1za3 n SER 65 N 2.95 -2.02 -3.87 1.64 3.41 -1.02 -3.53 113.62 111.18 1za3 n SER 65 Ca -0.18 -3.37 -0.22 0.00 -0.26 0.00 0.00 58.87 54.85 1za3 n SER 65 Cb 0.53 1.56 -0.08 0.00 -0.26 0.00 0.00 64.21 65.95 1za3 n SER 65 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1za3 s GLY 66 N -1.34 2.37 -0.30 5.00 0.00 -1.26 -3.88 107.32 107.90 1za3 s GLY 66 Ca 0.23 -1.62 -0.16 0.00 0.00 0.00 0.00 44.72 43.17 1za3 s GLY 66 CO -0.06 -1.66 1.04 -0.45 0.00 0.00 0.00 173.10 171.97 1za3 s SER 67 N -3.47 -0.49 0.00 1.64 0.15 -1.17 -4.75 113.70 105.62 1za3 s SER 67 Ca 0.32 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.64 1za3 s SER 67 Cb 0.03 1.54 0.00 0.00 -1.71 0.00 0.00 66.02 65.89 1za3 s SER 67 CO 0.19 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1za3 n GLY 68 N 4.85 1.72 0.00 9.45 0.00 0.61 -4.40 105.19 117.42 1za3 n GLY 68 Ca -0.09 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1za3 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1za3 n THR 69 N 0.00 0.02 -4.81 2.61 -2.24 -1.26 -1.66 114.28 106.94 1za3 n THR 69 Ca 0.00 -0.02 -0.33 0.00 -2.27 0.00 0.00 64.05 61.44 1za3 n THR 69 Cb 0.00 -0.22 -0.14 0.00 -2.10 0.00 0.00 70.33 67.87 1za3 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1za3 s ASP 70 N -2.54 4.07 -0.03 3.42 1.01 -1.26 -0.48 116.67 120.86 1za3 s ASP 70 Ca -0.00 -0.26 -0.04 0.00 0.71 0.00 0.00 52.55 52.96 1za3 s ASP 70 Cb 0.00 -1.30 0.01 0.00 1.01 0.00 0.00 42.92 42.64 1za3 s ASP 70 CO 0.02 0.24 0.11 -0.36 0.21 0.00 0.00 175.17 175.39 1za3 s PHE 71 N -0.12 -0.06 -0.32 4.23 0.40 -0.77 -3.03 117.98 118.31 1za3 s PHE 71 Ca -0.01 0.14 -0.02 0.00 -0.60 0.00 0.00 56.93 56.44 1za3 s PHE 71 Cb -0.14 0.00 0.12 0.00 0.51 0.00 0.00 43.02 43.52 1za3 s PHE 71 CO 0.03 -0.13 0.17 0.99 0.70 0.00 0.00 175.22 176.99 1za3 s THR 72 N -0.40 0.04 -0.02 0.64 2.01 -1.25 -0.56 115.64 116.10 1za3 s THR 72 Ca -0.05 -1.28 -0.30 0.00 0.31 0.00 0.00 61.69 60.38 1za3 s THR 72 Cb -0.03 -1.05 -0.06 0.00 0.01 0.00 0.00 72.50 71.37 1za3 s THR 72 CO 0.00 -0.87 1.51 -0.22 -0.69 0.00 0.00 174.62 174.35 1za3 s LEU 73 N 1.54 4.31 -0.31 4.42 1.98 -0.62 -3.06 118.68 126.94 1za3 s LEU 73 Ca 0.14 2.17 -0.00 0.00 -2.89 0.00 0.00 54.13 53.55 1za3 s LEU 73 Cb -0.20 -3.55 0.06 0.00 0.66 0.00 0.00 46.19 43.17 1za3 s LEU 73 CO -0.16 -0.82 0.01 0.42 -1.89 0.00 0.00 176.35 173.91 1za3 s THR 74 N 3.04 2.78 0.10 3.68 -4.23 0.74 -1.68 115.64 120.08 1za3 s THR 74 Ca 0.68 -1.62 -0.30 0.00 -1.18 0.00 0.00 61.69 59.27 1za3 s THR 74 Cb -0.32 -2.69 -0.06 0.00 1.34 0.00 0.00 72.50 70.76 1za3 s THR 74 CO 0.27 -0.21 1.12 -0.63 -0.54 0.00 0.00 174.62 174.63 1za3 s ILE 75 N 1.17 4.09 -0.12 2.99 1.01 -0.71 -2.44 121.20 127.19 1za3 s ILE 75 Ca -0.03 1.62 -0.12 0.00 0.00 0.00 0.00 60.65 62.12 1za3 s ILE 75 Cb -0.20 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1za3 s ILE 75 CO -0.03 0.20 -0.24 -0.24 0.00 0.00 0.00 174.94 174.63 1za3 n SER 76 N 3.22 1.35 -3.39 3.58 2.88 -0.37 -1.01 113.62 119.89 1za3 n SER 76 Ca 0.06 0.25 -0.30 0.00 -1.33 0.00 0.00 58.87 57.55 1za3 n SER 76 Cb 0.47 -0.67 -0.06 0.00 -0.75 0.00 0.00 64.21 63.20 1za3 n SER 76 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1za3 n SER 77 N -3.87 4.42 -3.91 -3.46 7.64 -1.26 -3.76 113.62 109.42 1za3 n SER 77 Ca -0.09 -3.51 -0.49 0.00 1.01 0.00 0.00 58.87 55.78 1za3 n SER 77 Cb 0.35 -0.74 -0.06 0.00 -1.01 0.00 0.00 64.21 62.75 1za3 n SER 77 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1za3 n LEU 78 N 0.60 -0.24 -4.71 -3.43 7.94 -0.53 -3.79 117.00 112.84 1za3 n LEU 78 Ca 0.31 1.01 -0.24 0.00 -1.11 0.00 0.00 56.01 55.97 1za3 n LEU 78 Cb 0.39 -0.81 -0.07 0.00 0.53 0.00 0.00 43.42 43.46 1za3 n LEU 78 CO 0.44 -1.87 -0.21 -1.10 -1.11 0.00 0.00 177.39 173.54 1za3 s GLN 79 N -0.19 2.24 0.27 1.96 -1.52 -1.26 0.92 119.66 122.08 1za3 s GLN 79 Ca 0.74 -1.72 -0.00 0.00 -1.95 0.00 0.00 55.36 52.43 1za3 s GLN 79 Cb -1.04 -2.03 0.53 0.00 -0.22 0.00 0.00 33.01 30.24 1za3 s GLN 79 CO 0.50 0.02 1.80 -1.35 -0.25 0.00 0.00 175.29 176.01 1za3 h PRO 80 N 1.56 0.80 0.00 2.91 0.11 -1.92 -1.55 132.00 133.90 1za3 h PRO 80 Ca -0.43 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1za3 h PRO 80 Cb 1.25 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1za3 h PRO 80 CO 0.67 0.53 0.00 -0.85 -0.21 0.00 0.00 178.00 178.14 1za3 n GLU 81 N -4.73 0.97 -0.12 1.05 0.00 -1.20 -3.53 120.64 113.09 1za3 n GLU 81 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.43 1za3 n GLU 81 Cb 0.38 -1.38 0.31 0.00 0.00 0.00 0.00 31.44 30.75 1za3 n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1za3 n ASP 82 N -0.88 1.94 -4.62 -1.84 8.00 -0.58 -4.83 116.55 113.73 1za3 n ASP 82 Ca 0.18 -1.81 -0.45 0.00 0.71 0.00 0.00 54.79 53.42 1za3 n ASP 82 Cb 0.08 -0.16 -0.04 0.00 -0.02 0.00 0.00 41.12 40.98 1za3 n ASP 82 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1za3 n PHE 83 N 0.51 2.20 -3.63 1.24 7.35 -1.23 -4.86 117.46 119.05 1za3 n PHE 83 Ca 0.16 -0.15 -0.03 0.00 -0.76 0.00 0.00 57.45 56.67 1za3 n PHE 83 Cb 0.35 -2.72 -0.03 0.00 0.35 0.00 0.00 39.48 37.43 1za3 n PHE 83 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1za3 s ALA 84 N 5.95 -2.13 0.18 3.13 0.00 -1.11 -4.87 121.76 122.91 1za3 s ALA 84 Ca 0.96 1.81 -0.21 0.00 0.00 0.00 0.00 51.96 54.51 1za3 s ALA 84 Cb -0.50 -0.71 -0.08 0.00 0.00 0.00 0.00 23.12 21.83 1za3 s ALA 84 CO 0.43 -0.44 0.72 0.99 0.00 0.00 0.00 175.76 177.45 1za3 s THR 85 N -1.76 4.53 -0.06 0.00 2.01 -0.49 -1.50 115.64 118.37 1za3 s THR 85 Ca 0.09 1.41 0.01 0.00 0.31 0.00 0.00 61.69 63.52 1za3 s THR 85 Cb -0.01 -3.96 0.02 0.00 0.01 0.00 0.00 72.50 68.56 1za3 s THR 85 CO -0.05 0.37 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.87 1za3 s TYR 86 N -1.34 1.04 -0.09 4.92 2.02 0.11 -0.37 117.35 123.65 1za3 s TYR 86 Ca 0.38 -0.36 0.03 0.00 -0.37 0.00 0.00 57.07 56.76 1za3 s TYR 86 Cb -0.19 -0.85 0.00 0.00 -0.40 0.00 0.00 41.96 40.52 1za3 s TYR 86 CO 0.22 -0.25 -0.20 0.71 -1.57 0.00 0.00 175.55 174.46 1za3 s TYR 87 N 0.92 2.25 0.17 2.71 1.51 -0.53 0.43 117.35 124.80 1za3 s TYR 87 Ca -0.11 -0.92 -0.17 0.00 -1.01 0.00 0.00 57.07 54.87 1za3 s TYR 87 Cb -0.15 -1.53 -0.07 0.00 -0.11 0.00 0.00 41.96 40.10 1za3 s TYR 87 CO 0.01 -0.39 0.63 0.00 -1.11 0.00 0.00 175.55 174.68 1za3 s GLN 89 N -1.87 0.64 -0.22 0.00 0.74 -0.71 -0.10 119.66 118.15 1za3 s GLN 89 Ca 0.39 0.05 -0.29 0.00 0.05 0.00 0.00 55.36 55.56 1za3 s GLN 89 Cb -0.16 -0.89 -0.04 0.00 1.10 0.00 0.00 33.01 33.02 1za3 s GLN 89 CO 0.20 -0.23 1.96 0.45 -0.55 0.00 0.00 175.29 177.12 1za3 s SER 90 N 1.59 5.87 0.00 6.67 0.15 -0.20 -1.60 113.70 126.18 1za3 s SER 90 Ca -0.01 1.77 0.00 0.00 0.70 0.00 0.00 55.95 58.41 1za3 s SER 90 Cb -0.13 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1za3 s SER 90 CO -0.03 -1.65 0.45 -1.54 1.20 0.00 0.00 173.24 171.67 1za3 n SER 91 N 10.20 0.00 0.00 5.45 3.41 -0.68 -3.13 113.62 128.86 1za3 n SER 91 Ca 0.25 0.65 0.02 0.00 -0.26 0.00 0.00 58.87 59.53 1za3 n SER 91 Cb 0.45 -0.40 0.10 0.00 -0.26 0.00 0.00 64.21 64.10 1za3 n SER 91 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1za3 n SER 92 N -1.70 0.00 0.00 4.04 7.64 -1.26 -4.27 113.62 118.08 1za3 n SER 92 Ca 0.00 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1za3 n SER 92 Cb 0.00 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1za3 n SER 92 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1za3 n SER 93 N -1.37 0.00 -4.87 6.43 7.64 -1.26 -5.01 113.62 115.17 1za3 n SER 93 Ca 0.02 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.60 1za3 n SER 93 Cb 0.04 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.30 1za3 n SER 93 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1za3 s PRO 94 N 2.49 2.53 -0.64 1.43 0.02 -1.26 -5.00 135.00 134.58 1za3 s PRO 94 Ca 0.00 0.41 -0.00 0.00 0.02 0.00 0.00 61.00 61.43 1za3 s PRO 94 Cb 0.00 -1.99 0.43 0.00 0.02 0.00 0.00 34.50 32.96 1za3 s PRO 94 CO 0.00 -1.26 1.84 0.66 -0.33 0.00 0.00 177.00 177.91 1za3 n TYR 95 N -3.15 3.11 -1.68 6.54 4.02 -1.26 -4.67 117.16 120.08 1za3 n TYR 95 Ca 0.07 -2.75 -0.43 0.00 -0.01 0.00 0.00 57.90 54.78 1za3 n TYR 95 Cb 0.58 -1.13 -0.03 0.00 -0.02 0.00 0.00 39.34 38.74 1za3 n TYR 95 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1za3 n THR 96 N -0.77 0.52 -2.21 -0.72 -1.04 -1.18 -4.71 114.28 104.16 1za3 n THR 96 Ca 0.56 -0.09 -0.26 0.00 -2.04 0.00 0.00 64.05 62.22 1za3 n THR 96 Cb 0.61 -2.12 0.08 0.00 -1.82 0.00 0.00 70.33 67.08 1za3 n THR 96 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1za3 s PHE 97 N 3.45 2.67 0.68 -1.42 0.08 -1.26 -1.03 117.98 121.14 1za3 s PHE 97 Ca 0.86 0.36 0.02 0.00 0.12 0.00 0.00 56.93 58.28 1za3 s PHE 97 Cb -0.51 -3.26 0.11 0.00 -0.57 0.00 0.00 43.02 38.79 1za3 s PHE 97 CO 0.41 -1.55 0.94 0.20 -0.10 0.00 0.00 175.22 175.12 1za3 s GLY 98 N -4.57 1.76 0.32 4.36 0.00 0.86 -4.32 107.32 105.73 1za3 s GLY 98 Ca 0.62 -1.80 0.26 0.00 0.00 0.00 0.00 44.72 43.81 1za3 s GLY 98 CO 0.45 -1.27 1.77 0.06 0.00 0.00 0.00 173.10 174.12 1za3 h GLN 99 N -0.34 0.00 0.00 2.90 -0.00 -1.88 -3.46 115.11 112.32 1za3 h GLN 99 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.30 1za3 h GLN 99 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 1za3 h GLN 99 CO 0.41 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.65 1za3 n GLY 100 N 0.49 2.14 3.19 0.06 0.00 -1.26 -5.06 105.19 104.75 1za3 n GLY 100 Ca 0.03 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 44.08 1za3 n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1za3 s THR 101 N -1.68 1.73 -0.33 2.61 2.01 0.17 -4.61 115.64 115.54 1za3 s THR 101 Ca 0.00 -0.88 -0.03 0.00 0.31 0.00 0.00 61.69 61.09 1za3 s THR 101 Cb 0.00 -1.48 0.05 0.00 0.01 0.00 0.00 72.50 71.09 1za3 s THR 101 CO 0.00 0.49 0.06 -0.54 -0.69 0.00 0.00 174.62 173.94 1za3 s LYS 102 N -0.02 2.43 -0.14 4.92 1.02 0.21 0.10 119.74 128.25 1za3 s LYS 102 Ca -0.05 -1.31 -0.09 0.00 0.02 0.00 0.00 55.97 54.54 1za3 s LYS 102 Cb -0.13 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 1za3 s LYS 102 CO 0.03 -0.70 0.16 0.08 -0.92 0.00 0.00 175.35 174.00 1za3 s VAL 103 N 1.28 5.44 0.01 3.17 1.01 -0.56 -0.64 120.40 130.12 1za3 s VAL 103 Ca -0.02 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.22 1za3 s VAL 103 Cb -0.20 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1za3 s VAL 103 CO -0.00 0.54 -0.06 -1.83 0.00 0.00 0.00 175.10 173.75 1za3 s GLU 104 N -0.47 0.43 -0.31 2.72 4.04 -0.63 -2.77 118.70 121.70 1za3 s GLU 104 Ca 0.13 -0.40 -0.17 0.00 0.04 0.00 0.00 54.97 54.57 1za3 s GLU 104 Cb -0.12 -0.31 -0.02 0.00 0.02 0.00 0.00 34.13 33.70 1za3 s GLU 104 CO 0.02 0.07 0.46 0.42 -1.84 0.00 0.00 175.26 174.40 1za3 s ILE 105 N -0.64 5.08 0.17 1.83 -1.09 -1.26 -2.32 121.20 122.96 1za3 s ILE 105 Ca -0.03 0.46 -0.30 0.00 -2.23 0.00 0.00 60.65 58.55 1za3 s ILE 105 Cb -0.05 -3.86 -0.08 0.00 -1.58 0.00 0.00 42.46 36.89 1za3 s ILE 105 CO -0.00 -0.06 1.20 -0.75 -1.23 0.00 0.00 174.94 174.10 1za3 s LYS 106 N 2.26 4.49 0.00 2.79 2.20 -0.07 -4.91 119.74 126.49 1za3 s LYS 106 Ca 0.17 1.87 0.00 0.00 -0.36 0.00 0.00 55.97 57.65 1za3 s LYS 106 Cb -0.16 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 1za3 s LYS 106 CO 0.12 -0.11 0.00 2.89 -0.36 0.00 0.00 175.35 177.89 1za3 n ARG 107 N 2.65 0.00 -2.53 4.03 -4.01 -1.26 -4.10 116.66 111.45 1za3 n ARG 107 Ca 0.05 0.00 -0.29 0.00 -1.04 0.00 0.00 57.85 56.57 1za3 n ARG 107 Cb 0.45 0.00 -0.01 0.00 -3.04 0.00 0.00 32.46 29.86 1za3 n ARG 107 CO 0.00 0.00 0.00 0.95 -3.04 0.00 0.00 177.63 175.54 1za3 s THR 108 N -2.00 4.84 0.09 8.89 -4.23 -1.26 -4.98 115.64 116.99 1za3 s THR 108 Ca 0.00 0.44 -0.31 0.00 -1.18 0.00 0.00 61.69 60.64 1za3 s THR 108 Cb 0.00 -3.84 -0.08 0.00 1.34 0.00 0.00 72.50 69.92 1za3 s THR 108 CO 0.00 -0.84 1.53 -0.69 -0.54 0.00 0.00 174.62 174.08 1za3 s VAL 109 N -2.75 3.11 -0.13 2.29 1.01 -1.26 -4.79 120.40 117.89 1za3 s VAL 109 Ca 0.50 0.69 0.02 0.00 0.00 0.00 0.00 61.98 63.19 1za3 s VAL 109 Cb -0.10 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.85 1za3 s VAL 109 CO 0.43 0.02 -0.20 0.00 0.00 0.00 0.00 175.10 175.36 1za3 s ALA 110 N 1.87 2.06 0.55 5.51 0.00 -0.60 -4.95 121.76 126.19 1za3 s ALA 110 Ca 0.69 -0.97 -0.19 0.00 0.00 0.00 0.00 51.96 51.50 1za3 s ALA 110 Cb -0.39 -0.94 -0.06 0.00 0.00 0.00 0.00 23.12 21.74 1za3 s ALA 110 CO 0.30 -0.04 1.09 0.00 0.00 0.00 0.00 175.76 177.11 1za3 s ALA 111 N 0.87 2.73 0.14 0.00 0.00 -1.26 -1.73 121.76 122.50 1za3 s ALA 111 Ca -0.07 0.67 -0.24 0.00 0.00 0.00 0.00 51.96 52.32 1za3 s ALA 111 Cb -0.15 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.59 1za3 s ALA 111 CO -0.02 -0.69 0.72 -1.25 0.00 0.00 0.00 175.76 174.52 1za3 s PRO 112 N -3.47 4.46 0.18 0.00 0.04 -1.26 -4.52 135.00 130.43 1za3 s PRO 112 Ca 0.69 1.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.47 1za3 s PRO 112 Cb -0.20 -3.26 -0.08 0.00 0.04 0.00 0.00 34.50 31.00 1za3 s PRO 112 CO 0.28 0.58 1.12 -1.12 0.04 0.00 0.00 177.00 177.90 1za3 s SER 113 N -1.10 7.23 -0.09 6.66 0.01 -1.08 -4.79 113.70 120.53 1za3 s SER 113 Ca 0.34 2.13 0.00 0.00 1.31 0.00 0.00 55.95 59.72 1za3 s SER 113 Cb -0.22 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.38 1za3 s SER 113 CO 0.24 -0.25 -0.08 -0.69 0.41 0.00 0.00 173.24 172.87 1za3 s VAL 114 N -0.22 3.60 -0.01 3.43 1.01 -1.26 -1.07 120.40 125.87 1za3 s VAL 114 Ca 0.50 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1za3 s VAL 114 Cb -0.30 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1za3 s VAL 114 CO 0.35 0.57 -0.06 -0.36 0.00 0.00 0.00 175.10 175.60 1za3 s PHE 115 N -0.41 0.58 0.03 5.22 0.40 -0.33 -4.97 117.98 118.49 1za3 s PHE 115 Ca 0.06 -0.12 0.07 0.00 -0.60 0.00 0.00 56.93 56.34 1za3 s PHE 115 Cb -0.12 -0.41 -0.03 0.00 0.51 0.00 0.00 43.02 42.97 1za3 s PHE 115 CO 0.02 -0.04 -0.19 -1.50 0.70 0.00 0.00 175.22 174.21 1za3 s ILE 116 N 0.08 2.72 -0.26 0.64 2.07 -1.26 -0.78 121.20 124.40 1za3 s ILE 116 Ca -0.01 -1.17 -0.00 0.00 -1.41 0.00 0.00 60.65 58.06 1za3 s ILE 116 Cb -0.05 -2.12 0.08 0.00 0.13 0.00 0.00 42.46 40.49 1za3 s ILE 116 CO -0.00 0.37 0.02 -0.36 -1.91 0.00 0.00 174.94 173.06 1za3 s PHE 117 N -0.89 1.96 0.86 3.50 0.08 0.12 -5.01 117.98 118.60 1za3 s PHE 117 Ca 0.14 -1.64 -0.10 0.00 0.12 0.00 0.00 56.93 55.45 1za3 s PHE 117 Cb -0.10 -1.60 0.11 0.00 -0.57 0.00 0.00 43.02 40.86 1za3 s PHE 117 CO 0.04 -0.78 1.13 -2.14 -0.10 0.00 0.00 175.22 173.37 1za3 s PRO 118 N 1.54 1.48 0.53 0.24 0.02 -1.26 -1.94 135.00 135.60 1za3 s PRO 118 Ca 0.02 1.43 -0.18 0.00 0.02 0.00 0.00 61.00 62.28 1za3 s PRO 118 Cb -0.18 -1.79 -0.07 0.00 0.02 0.00 0.00 34.50 32.48 1za3 s PRO 118 CO -0.13 -2.27 1.04 -1.25 -0.33 0.00 0.00 177.00 174.07 1za3 s PRO 119 N -4.72 3.63 0.73 5.54 0.04 -1.24 -4.81 135.00 134.17 1za3 s PRO 119 Ca 0.65 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.88 1za3 s PRO 119 Cb -0.21 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.29 1za3 s PRO 119 CO 0.57 -0.57 1.07 -1.54 0.04 0.00 0.00 177.00 176.57 1za3 s SER 120 N -2.31 4.99 0.27 6.66 1.04 -1.26 -4.95 113.70 118.14 1za3 s SER 120 Ca 0.66 1.69 -0.00 0.00 0.48 0.00 0.00 55.95 58.78 1za3 s SER 120 Cb -0.16 -2.49 0.37 0.00 0.10 0.00 0.00 66.02 63.83 1za3 s SER 120 CO 0.27 -1.70 1.74 0.44 0.98 0.00 0.00 173.24 174.96 1za3 h ASP 121 N -0.90 0.64 -0.10 7.02 5.19 -2.01 -2.89 116.42 123.37 1za3 h ASP 121 Ca -0.44 -0.18 -0.07 0.00 -0.62 0.00 0.00 57.03 55.72 1za3 h ASP 121 Cb 1.22 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 40.54 1za3 h ASP 121 CO 0.55 0.79 -0.13 -0.33 -3.12 0.00 0.00 179.24 177.00 1za3 h GLU 122 N 0.59 0.44 0.14 3.56 5.08 -2.00 -3.09 114.58 119.31 1za3 h GLU 122 Ca 0.10 -0.12 -0.28 0.00 -1.00 0.00 0.00 59.36 58.06 1za3 h GLU 122 Cb 0.56 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.77 1za3 h GLU 122 CO 0.03 0.57 -1.27 0.37 -1.00 0.00 0.00 179.01 177.71 1za3 h GLN 123 N 0.41 0.36 -0.51 2.33 4.15 -1.84 -3.01 115.11 116.99 1za3 h GLN 123 Ca 0.08 -0.58 -0.01 0.00 0.77 0.00 0.00 58.65 58.91 1za3 h GLN 123 Cb 0.47 0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.35 1za3 h GLN 123 CO 0.03 1.27 0.27 -0.07 -1.93 0.00 0.00 178.83 178.39 1za3 h LEU 124 N 0.11 0.62 -0.63 -2.39 4.07 -1.45 0.17 115.31 115.82 1za3 h LEU 124 Ca -0.16 -0.04 0.01 0.00 0.08 0.00 0.00 57.88 57.77 1za3 h LEU 124 Cb 1.98 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 43.53 1za3 h LEU 124 CO 0.22 0.51 0.42 0.11 -1.08 0.00 0.00 178.44 178.61 1za3 h LYS 125 N 0.71 0.82 0.00 1.13 1.57 -1.55 -2.50 116.57 116.76 1za3 h LYS 125 Ca 0.18 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1za3 h LYS 125 Cb 0.03 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1za3 h LYS 125 CO -0.03 0.54 0.00 0.43 -0.57 0.00 0.00 179.45 179.83 1za3 n SER 126 N -4.65 0.00 0.00 0.86 7.64 0.59 -4.80 113.62 113.26 1za3 n SER 126 Ca 0.05 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1za3 n SER 126 Cb 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1za3 n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1za3 n GLY 127 N -0.53 0.53 3.40 0.23 0.00 -0.94 -5.02 105.19 102.87 1za3 n GLY 127 Ca 0.02 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 1za3 n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1za3 s THR 128 N -2.00 0.03 -0.08 2.61 2.01 -1.24 -3.38 115.64 113.58 1za3 s THR 128 Ca 0.00 -0.21 -0.02 0.00 0.31 0.00 0.00 61.69 61.77 1za3 s THR 128 Cb 0.00 -0.93 0.03 0.00 0.01 0.00 0.00 72.50 71.62 1za3 s THR 128 CO 0.00 -0.12 0.02 0.00 -0.69 0.00 0.00 174.62 173.84 1za3 s ALA 129 N -1.93 0.62 -0.33 7.40 0.00 0.82 -3.56 121.76 124.78 1za3 s ALA 129 Ca -0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.73 1za3 s ALA 129 Cb -0.01 -0.78 0.07 0.00 0.00 0.00 0.00 23.12 22.40 1za3 s ALA 129 CO 0.02 -0.59 0.05 -1.12 0.00 0.00 0.00 175.76 174.13 1za3 s SER 130 N 2.01 4.95 -0.20 0.00 0.01 -1.26 -1.43 113.70 117.78 1za3 s SER 130 Ca 0.04 -1.57 -0.16 0.00 1.31 0.00 0.00 55.95 55.57 1za3 s SER 130 Cb -0.13 -1.72 -0.04 0.00 0.21 0.00 0.00 66.02 64.34 1za3 s SER 130 CO -0.05 -0.34 0.40 -0.69 0.41 0.00 0.00 173.24 172.96 1za3 s VAL 131 N 1.18 5.20 -0.02 3.43 1.01 -0.41 -3.74 120.40 127.05 1za3 s VAL 131 Ca -0.00 0.71 0.04 0.00 0.00 0.00 0.00 61.98 62.73 1za3 s VAL 131 Cb -0.20 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1za3 s VAL 131 CO -0.03 0.26 -0.15 -0.69 0.00 0.00 0.00 175.10 174.49 1za3 s VAL 132 N 1.26 3.02 -0.08 2.92 1.01 -0.82 -0.74 120.40 126.97 1za3 s VAL 132 Ca 0.19 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1za3 s VAL 132 Cb -0.15 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.04 1za3 s VAL 132 CO 0.08 0.52 -0.12 0.00 0.00 0.00 0.00 175.10 175.58 1za3 s LEU 134 N 0.92 1.52 -0.21 0.00 2.96 0.04 -0.56 118.68 123.36 1za3 s LEU 134 Ca -0.09 -0.40 -0.08 0.00 -0.22 0.00 0.00 54.13 53.34 1za3 s LEU 134 Cb -0.15 -1.02 -0.04 0.00 0.50 0.00 0.00 46.19 45.48 1za3 s LEU 134 CO 0.00 -0.05 0.07 -0.76 -1.32 0.00 0.00 176.35 174.29 1za3 s LEU 135 N 1.38 3.72 -0.18 -0.68 1.02 0.05 -1.18 118.68 122.80 1za3 s LEU 135 Ca 0.01 -0.01 0.01 0.00 0.02 0.00 0.00 54.13 54.16 1za3 s LEU 135 Cb -0.13 -1.96 0.03 0.00 0.02 0.00 0.00 46.19 44.14 1za3 s LEU 135 CO -0.07 0.10 -0.15 0.21 0.02 0.00 0.00 176.35 176.46 1za3 s ASN 136 N 0.82 3.15 -0.86 2.29 2.47 -0.23 -1.41 114.94 121.16 1za3 s ASN 136 Ca 0.04 -0.71 -0.03 0.00 0.42 0.00 0.00 52.86 52.58 1za3 s ASN 136 Cb -0.13 -1.34 -0.03 0.00 -1.45 0.00 0.00 41.25 38.29 1za3 s ASN 136 CO 0.02 -0.06 0.78 0.59 -3.72 0.00 0.00 177.10 174.70 1za3 n ASN 137 N 4.67 -6.97 -4.41 -4.21 3.02 -0.92 -2.64 115.26 103.80 1za3 n ASN 137 Ca -0.18 -0.38 -0.20 0.00 -0.03 0.00 0.00 54.58 53.79 1za3 n ASN 137 Cb 0.49 -5.05 -0.10 0.00 -0.61 0.00 0.00 39.78 34.50 1za3 n ASN 137 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1za3 s PHE 138 N -3.19 1.86 -0.10 3.10 -0.71 -0.31 -4.71 117.98 113.92 1za3 s PHE 138 Ca 0.23 -0.84 -0.26 0.00 -1.04 0.00 0.00 56.93 55.02 1za3 s PHE 138 Cb -0.03 -1.13 0.06 0.00 -1.21 0.00 0.00 43.02 40.71 1za3 s PHE 138 CO 0.71 0.11 0.60 -0.47 -1.34 0.00 0.00 175.22 174.83 1za3 s TYR 139 N -3.21 -0.59 0.75 3.49 6.14 -0.71 -0.11 117.35 123.12 1za3 s TYR 139 Ca 0.32 1.15 -0.13 0.00 0.64 0.00 0.00 57.07 59.05 1za3 s TYR 139 Cb 0.06 0.31 0.18 0.00 0.42 0.00 0.00 41.96 42.93 1za3 s TYR 139 CO 0.12 -0.49 0.78 -0.35 0.64 0.00 0.00 175.55 176.25 1za3 n PRO 140 N 1.52 -1.87 0.16 4.97 -0.04 -1.26 -1.55 135.00 136.92 1za3 n PRO 140 Ca -0.18 -1.23 0.06 0.00 -0.04 0.00 0.00 63.50 62.11 1za3 n PRO 140 Cb 0.56 -1.02 0.53 0.00 -0.04 0.00 0.00 33.50 33.54 1za3 n PRO 140 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1za3 h ARG 141 N 0.00 0.20 -6.78 0.54 2.43 -1.97 -3.45 114.38 105.35 1za3 h ARG 141 Ca -0.28 -0.02 -0.52 0.00 -0.81 0.00 0.00 59.98 58.36 1za3 h ARG 141 Cb 0.81 -0.04 0.04 0.00 -0.42 0.00 0.00 29.97 30.36 1za3 h ARG 141 CO 0.19 0.17 0.63 -1.21 -1.51 0.00 0.00 179.97 178.23 1za3 s GLU 142 N -5.14 4.41 -0.20 0.20 8.01 -1.26 -5.02 118.70 119.70 1za3 s GLU 142 Ca -0.06 2.09 -0.28 0.00 0.01 0.00 0.00 54.97 56.74 1za3 s GLU 142 Cb 0.17 -3.14 0.10 0.00 -4.31 0.00 0.00 34.13 26.95 1za3 s GLU 142 CO 0.70 -0.17 0.90 0.00 0.01 0.00 0.00 175.26 176.70 1za3 s ALA 143 N -0.55 -1.89 -0.29 5.21 0.00 -1.26 -4.72 121.76 118.26 1za3 s ALA 143 Ca 0.52 1.71 -0.07 0.00 0.00 0.00 0.00 51.96 54.12 1za3 s ALA 143 Cb -0.37 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 21.85 1za3 s ALA 143 CO 0.44 -0.30 0.08 0.15 0.00 0.00 0.00 175.76 176.13 1za3 s LYS 144 N -0.42 3.18 -0.16 0.00 3.01 -0.88 -4.98 119.74 119.50 1za3 s LYS 144 Ca -0.02 -0.79 -0.02 0.00 -1.01 0.00 0.00 55.97 54.13 1za3 s LYS 144 Cb -0.03 -3.36 -0.01 0.00 -1.01 0.00 0.00 37.83 33.42 1za3 s LYS 144 CO 0.01 -0.40 -0.10 0.08 0.51 0.00 0.00 175.35 175.45 1za3 s VAL 145 N 1.52 3.23 0.23 3.17 1.01 -1.26 -0.44 120.40 127.86 1za3 s VAL 145 Ca 0.03 -0.58 0.11 0.00 0.00 0.00 0.00 61.98 61.54 1za3 s VAL 145 Cb -0.17 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 1za3 s VAL 145 CO 0.02 0.49 -0.21 -1.10 0.00 0.00 0.00 175.10 174.31 1za3 s GLN 146 N 0.66 1.54 0.02 2.72 -0.21 -1.03 -4.95 119.66 118.42 1za3 s GLN 146 Ca -0.05 -1.62 0.04 0.00 0.02 0.00 0.00 55.36 53.75 1za3 s GLN 146 Cb -0.15 -1.70 -0.03 0.00 1.00 0.00 0.00 33.01 32.13 1za3 s GLN 146 CO 0.02 0.34 -0.09 -1.58 -2.12 0.00 0.00 175.29 171.86 1za3 s TRP 147 N -2.17 2.80 -0.19 0.91 0.52 -1.26 -1.49 118.94 118.06 1za3 s TRP 147 Ca 0.24 -0.10 -0.04 0.00 0.02 0.00 0.00 56.10 56.23 1za3 s TRP 147 Cb -0.06 -1.56 0.06 0.00 -1.15 0.00 0.00 33.47 30.76 1za3 s TRP 147 CO 0.11 0.35 0.07 0.15 0.02 0.00 0.00 176.95 177.65 1za3 s LYS 148 N -1.50 0.38 -0.33 4.98 1.02 -0.10 -2.07 119.74 122.13 1za3 s LYS 148 Ca 0.17 -0.31 -0.05 0.00 0.02 0.00 0.00 55.97 55.81 1za3 s LYS 148 Cb -0.11 -1.94 0.05 0.00 -0.52 0.00 0.00 37.83 35.31 1za3 s LYS 148 CO 0.08 -0.69 0.07 0.08 -0.92 0.00 0.00 175.35 173.98 1za3 s VAL 149 N 1.98 3.51 -1.37 3.17 1.01 -1.02 -1.80 120.40 125.87 1za3 s VAL 149 Ca 0.01 -1.25 -0.01 0.00 0.00 0.00 0.00 61.98 60.73 1za3 s VAL 149 Cb -0.17 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 1za3 s VAL 149 CO -0.11 -0.17 0.49 0.47 0.00 0.00 0.00 175.10 175.78 1za3 n ASP 150 N 4.74 -0.71 -3.85 3.32 8.00 -1.05 -2.68 116.55 124.32 1za3 n ASP 150 Ca -0.12 -0.97 -0.30 0.00 0.71 0.00 0.00 54.79 54.11 1za3 n ASP 150 Cb 0.44 -3.26 0.02 0.00 -0.02 0.00 0.00 41.12 38.29 1za3 n ASP 150 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1za3 n ASN 151 N -2.98 -4.62 -4.26 -2.24 4.13 -1.26 -4.99 115.26 99.03 1za3 n ASN 151 Ca -0.30 -0.74 -0.33 0.00 1.68 0.00 0.00 54.58 54.89 1za3 n ASN 151 Cb 0.68 -3.71 -0.15 0.00 -1.54 0.00 0.00 39.78 35.06 1za3 n ASN 151 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1za3 s ALA 152 N -3.25 2.50 -0.37 5.41 0.00 -1.09 -5.06 121.76 119.90 1za3 s ALA 152 Ca 0.63 -1.06 -0.28 0.00 0.00 0.00 0.00 51.96 51.25 1za3 s ALA 152 Cb -0.32 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 1za3 s ALA 152 CO 0.78 -0.06 1.77 -0.51 0.00 0.00 0.00 175.76 177.74 1za3 s LEU 153 N 0.87 3.49 0.44 0.00 1.43 -1.26 -2.44 118.68 121.21 1za3 s LEU 153 Ca -0.04 1.13 -0.22 0.00 -1.03 0.00 0.00 54.13 53.97 1za3 s LEU 153 Cb -0.15 -3.38 -0.09 0.00 0.03 0.00 0.00 46.19 42.59 1za3 s LEU 153 CO -0.01 -1.77 1.02 -1.10 0.23 0.00 0.00 176.35 174.73 1za3 s GLN 154 N 5.77 4.02 0.00 1.70 -1.52 -0.88 -5.02 119.66 123.73 1za3 s GLN 154 Ca 0.76 1.37 0.00 0.00 -1.95 0.00 0.00 55.36 55.55 1za3 s GLN 154 Cb -0.20 -2.29 0.00 0.00 -0.22 0.00 0.00 33.01 30.30 1za3 s GLN 154 CO 0.32 -0.24 0.00 0.43 -0.25 0.00 0.00 175.29 175.55 1za3 n SER 155 N -0.55 0.00 -1.46 5.90 7.64 -1.26 -4.66 113.62 119.24 1za3 n SER 155 Ca 0.07 0.00 0.06 0.00 1.01 0.00 0.00 58.87 60.01 1za3 n SER 155 Cb 0.52 -0.04 0.29 0.00 -1.01 0.00 0.00 64.21 63.97 1za3 n SER 155 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1za3 n GLY 156 N 3.21 2.44 0.54 0.23 0.00 -1.26 -4.43 105.19 105.92 1za3 n GLY 156 Ca 0.00 -0.67 0.06 0.00 0.00 0.00 0.00 46.02 45.41 1za3 n GLY 156 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1za3 n ASN 157 N 0.56 3.03 -3.93 1.61 2.04 -1.26 -4.98 115.26 112.33 1za3 n ASN 157 Ca 0.20 -2.53 -0.18 0.00 -0.44 0.00 0.00 54.58 51.63 1za3 n ASN 157 Cb 0.88 -0.34 -0.15 0.00 -2.53 0.00 0.00 39.78 37.64 1za3 n ASN 157 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1za3 s SER 158 N -1.62 0.80 0.07 0.53 1.04 -1.26 -2.30 113.70 110.95 1za3 s SER 158 Ca 0.28 -0.11 0.09 0.00 0.48 0.00 0.00 55.95 56.68 1za3 s SER 158 Cb 0.20 -0.26 -0.03 0.00 0.10 0.00 0.00 66.02 66.03 1za3 s SER 158 CO 0.09 0.01 -0.25 -1.10 0.98 0.00 0.00 173.24 172.96 1za3 s GLN 159 N 0.41 1.58 0.04 4.02 -0.21 -1.18 -4.96 119.66 119.38 1za3 s GLN 159 Ca -0.05 -1.14 0.04 0.00 0.02 0.00 0.00 55.36 54.23 1za3 s GLN 159 Cb -0.09 -1.83 -0.04 0.00 1.00 0.00 0.00 33.01 32.05 1za3 s GLN 159 CO -0.00 0.46 -0.05 -1.21 -2.12 0.00 0.00 175.29 172.36 1za3 s GLU 160 N -1.46 2.48 0.05 2.91 2.02 -1.26 -1.63 118.70 121.80 1za3 s GLU 160 Ca 0.11 -0.80 0.06 0.00 0.02 0.00 0.00 54.97 54.35 1za3 s GLU 160 Cb -0.10 -2.48 -0.02 0.00 0.10 0.00 0.00 34.13 31.63 1za3 s GLU 160 CO 0.03 0.57 -0.16 0.45 0.02 0.00 0.00 175.26 176.17 1za3 s SER 161 N -1.79 1.86 -0.01 -0.19 0.15 -0.49 -5.00 113.70 108.24 1za3 s SER 161 Ca 0.20 -0.50 0.02 0.00 0.70 0.00 0.00 55.95 56.37 1za3 s SER 161 Cb -0.11 -0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.07 1za3 s SER 161 CO 0.11 0.04 -0.08 -0.69 1.20 0.00 0.00 173.24 173.83 1za3 s VAL 162 N -0.91 0.62 0.99 4.45 1.01 -1.26 -1.16 120.40 124.14 1za3 s VAL 162 Ca 0.02 -0.33 -0.13 0.00 0.00 0.00 0.00 61.98 61.54 1za3 s VAL 162 Cb -0.08 -0.52 0.18 0.00 0.00 0.00 0.00 36.38 35.95 1za3 s VAL 162 CO 0.02 0.18 1.12 0.42 0.00 0.00 0.00 175.10 176.84 1za3 s THR 163 N -0.17 1.96 0.77 3.92 -4.23 -0.44 -4.99 115.64 112.46 1za3 s THR 163 Ca 0.03 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.43 1za3 s THR 163 Cb -0.03 -2.62 0.06 0.00 1.34 0.00 0.00 72.50 71.25 1za3 s THR 163 CO -0.00 0.00 1.10 -1.83 -0.54 0.00 0.00 174.62 173.34 1za3 s GLU 164 N -5.18 2.24 0.41 3.99 -1.05 -1.26 -4.71 118.70 113.14 1za3 s GLU 164 Ca 0.66 1.22 -0.26 0.00 -0.15 0.00 0.00 54.97 56.43 1za3 s GLU 164 Cb -0.15 -1.89 -0.09 0.00 -0.44 0.00 0.00 34.13 31.55 1za3 s GLU 164 CO 0.55 -1.66 1.39 -1.14 0.95 0.00 0.00 175.26 175.36 1za3 s GLN 165 N -4.80 3.91 0.48 -4.83 0.74 -1.26 -4.72 119.66 109.17 1za3 s GLN 165 Ca 0.62 2.36 -0.22 0.00 0.05 0.00 0.00 55.36 58.17 1za3 s GLN 165 Cb -0.18 -2.78 -0.07 0.00 1.10 0.00 0.00 33.01 31.08 1za3 s GLN 165 CO 0.55 -0.61 1.15 0.34 -0.55 0.00 0.00 175.29 176.16 1za3 s ASP 166 N -0.50 6.10 0.00 6.67 2.15 -0.25 -4.90 116.67 125.94 1za3 s ASP 166 Ca 0.57 2.25 0.24 0.00 0.43 0.00 0.00 52.55 56.04 1za3 s ASP 166 Cb -0.42 -2.60 0.68 0.00 -0.30 0.00 0.00 42.92 40.28 1za3 s ASP 166 CO 0.55 -0.96 1.53 -1.54 -0.17 0.00 0.00 175.17 174.58 1za3 n SER 167 N -0.68 2.17 0.00 -0.34 3.41 -1.26 -2.30 113.62 114.63 1za3 n SER 167 Ca 0.08 -1.74 0.00 0.00 -0.26 0.00 0.00 58.87 56.95 1za3 n SER 167 Cb 0.49 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1za3 n SER 167 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1za3 n LYS 168 N 0.67 2.87 0.00 4.33 2.85 -1.26 -3.23 118.16 124.39 1za3 n LYS 168 Ca 0.17 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 1za3 n LYS 168 Cb 0.44 -0.91 0.00 0.00 -0.65 0.00 0.00 35.03 33.91 1za3 n LYS 168 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1za3 n ASP 169 N -1.64 1.00 -2.68 -5.58 5.68 -1.26 -4.95 116.55 107.12 1za3 n ASP 169 Ca 0.00 -1.46 -0.17 0.00 -0.50 0.00 0.00 54.79 52.66 1za3 n ASP 169 Cb 0.33 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.31 1za3 n ASP 169 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1za3 n SER 170 N -0.23 -4.57 -4.89 -1.12 7.64 -0.97 -4.89 113.62 104.58 1za3 n SER 170 Ca 0.00 -0.02 -0.20 0.00 1.01 0.00 0.00 58.87 59.66 1za3 n SER 170 Cb 0.33 -3.81 -0.03 0.00 -1.01 0.00 0.00 64.21 59.69 1za3 n SER 170 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1za3 s THR 171 N -2.83 3.42 0.38 0.44 -4.23 -1.26 -4.67 115.64 106.89 1za3 s THR 171 Ca 0.11 -1.28 0.08 0.00 -1.18 0.00 0.00 61.69 59.43 1za3 s THR 171 Cb -0.06 -3.17 -0.06 0.00 1.34 0.00 0.00 72.50 70.54 1za3 s THR 171 CO 0.14 -0.13 0.03 -0.31 -0.54 0.00 0.00 174.62 173.82 1za3 s TYR 172 N -2.32 2.53 0.00 3.99 2.02 0.84 -1.09 117.35 123.32 1za3 s TYR 172 Ca 0.44 -0.56 -0.01 0.00 -0.37 0.00 0.00 57.07 56.56 1za3 s TYR 172 Cb -0.06 -1.68 -0.01 0.00 -0.40 0.00 0.00 41.96 39.81 1za3 s TYR 172 CO 0.28 0.42 0.01 -1.12 -1.57 0.00 0.00 175.55 173.57 1za3 s SER 173 N -3.74 0.09 -0.06 2.29 0.01 -1.26 -1.16 113.70 109.87 1za3 s SER 173 Ca 0.36 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.42 1za3 s SER 173 Cb 0.05 0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.39 1za3 s SER 173 CO 0.19 -0.16 -0.04 -0.22 0.41 0.00 0.00 173.24 173.42 1za3 s LEU 174 N -0.73 1.10 -0.12 2.44 0.20 -0.50 -1.33 118.68 119.74 1za3 s LEU 174 Ca -0.08 -0.15 -0.07 0.00 0.69 0.00 0.00 54.13 54.51 1za3 s LEU 174 Cb -0.05 -0.54 -0.04 0.00 -0.43 0.00 0.00 46.19 45.13 1za3 s LEU 174 CO -0.00 -0.10 0.14 -0.94 -0.29 0.00 0.00 176.35 175.16 1za3 s SER 175 N 1.34 6.39 -0.12 3.68 1.04 -0.31 -0.77 113.70 124.94 1za3 s SER 175 Ca -0.04 0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.87 1za3 s SER 175 Cb -0.14 -2.07 0.02 0.00 0.10 0.00 0.00 66.02 63.93 1za3 s SER 175 CO -0.03 0.40 -0.15 -0.55 0.98 0.00 0.00 173.24 173.89 1za3 s SER 176 N -0.98 2.55 -0.32 7.02 0.15 0.28 -1.40 113.70 121.00 1za3 s SER 176 Ca 0.15 -0.45 -0.00 0.00 0.70 0.00 0.00 55.95 56.34 1za3 s SER 176 Cb -0.12 -1.13 0.07 0.00 -1.71 0.00 0.00 66.02 63.13 1za3 s SER 176 CO 0.04 -0.01 0.03 -0.89 1.20 0.00 0.00 173.24 173.61 1za3 s THR 177 N 1.14 2.83 0.10 6.45 2.01 -0.65 -0.96 115.64 126.56 1za3 s THR 177 Ca -0.03 -1.68 -0.29 0.00 0.31 0.00 0.00 61.69 60.00 1za3 s THR 177 Cb -0.14 -2.75 -0.06 0.00 0.01 0.00 0.00 72.50 69.56 1za3 s THR 177 CO -0.04 -0.27 0.92 -0.22 -0.69 0.00 0.00 174.62 174.31 1za3 s LEU 178 N 1.16 4.49 -0.22 4.42 2.96 0.08 -3.10 118.68 128.48 1za3 s LEU 178 Ca -0.01 1.72 -0.03 0.00 -0.22 0.00 0.00 54.13 55.59 1za3 s LEU 178 Cb -0.20 -3.51 0.07 0.00 0.50 0.00 0.00 46.19 43.05 1za3 s LEU 178 CO -0.03 -0.04 0.08 0.28 -1.32 0.00 0.00 176.35 175.31 1za3 s THR 179 N -0.04 0.26 0.09 3.68 -1.32 -0.97 -1.28 115.64 116.05 1za3 s THR 179 Ca 0.45 -0.57 0.10 0.00 -1.21 0.00 0.00 61.69 60.46 1za3 s THR 179 Cb -0.23 -0.95 -0.03 0.00 -1.51 0.00 0.00 72.50 69.77 1za3 s THR 179 CO 0.28 -0.38 -0.26 -0.76 -2.21 0.00 0.00 174.62 171.29 1za3 s LEU 180 N 1.96 2.24 0.65 9.08 1.43 -0.52 -4.92 118.68 128.60 1za3 s LEU 180 Ca 0.03 -0.66 -0.18 0.00 -1.03 0.00 0.00 54.13 52.29 1za3 s LEU 180 Cb -0.17 -1.23 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 1za3 s LEU 180 CO -0.16 0.21 1.28 -0.94 0.23 0.00 0.00 176.35 176.97 1za3 s SER 181 N -1.63 4.63 0.16 2.29 1.04 -1.26 -0.13 113.70 118.81 1za3 s SER 181 Ca 0.12 2.58 -0.16 0.00 0.48 0.00 0.00 55.95 58.97 1za3 s SER 181 Cb -0.10 -2.61 0.10 0.00 0.10 0.00 0.00 66.02 63.51 1za3 s SER 181 CO 0.04 -1.98 1.70 0.50 0.98 0.00 0.00 173.24 174.47 1za3 h LYS 182 N 0.52 0.10 -0.47 4.02 3.64 -1.85 -2.12 116.57 120.41 1za3 h LYS 182 Ca -0.51 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 58.96 1za3 h LYS 182 Cb 1.33 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 33.05 1za3 h LYS 182 CO 0.53 0.06 0.02 0.00 -2.27 0.00 0.00 179.45 177.79 1za3 h ALA 183 N 1.34 0.46 -0.31 5.00 0.00 -1.91 -1.96 119.26 121.88 1za3 h ALA 183 Ca 0.19 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1za3 h ALA 183 Cb 0.27 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1za3 h ALA 183 CO -0.32 -0.37 0.06 -0.44 0.00 0.00 0.00 179.25 178.18 1za3 h ASP 184 N 0.13 0.41 -0.05 0.00 5.19 -1.76 -2.51 116.42 117.83 1za3 h ASP 184 Ca 0.23 -0.05 -0.12 0.00 -0.62 0.00 0.00 57.03 56.47 1za3 h ASP 184 Cb 0.34 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.74 1za3 h ASP 184 CO -0.37 0.42 -0.36 0.22 -3.12 0.00 0.00 179.24 176.03 1za3 h TYR 185 N 0.44 0.64 -0.18 4.55 3.20 -1.05 -2.95 116.97 121.61 1za3 h TYR 185 Ca 0.10 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1za3 h TYR 185 Cb 0.19 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1za3 h TYR 185 CO 0.01 0.83 0.00 0.39 -1.64 0.00 0.00 178.16 177.75 1za3 n GLU 186 N -4.05 1.62 0.00 1.82 1.02 -0.97 -3.32 120.64 116.76 1za3 n GLU 186 Ca -0.01 -0.94 0.12 0.00 -0.02 0.00 0.00 57.16 56.30 1za3 n GLU 186 Cb 0.48 -1.33 0.24 0.00 -0.02 0.00 0.00 31.44 30.82 1za3 n GLU 186 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1za3 n LYS 187 N 0.19 0.16 -3.94 3.49 5.02 -1.10 -4.96 118.16 117.03 1za3 n LYS 187 Ca 0.14 -0.10 -0.10 0.00 -2.02 0.00 0.00 58.31 56.23 1za3 n LYS 187 Cb 0.27 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.67 1za3 n LYS 187 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1za3 s HIS 188 N -2.90 0.17 -0.17 2.13 3.76 -1.21 -5.09 115.29 111.97 1za3 s HIS 188 Ca 0.13 -0.36 -0.14 0.00 -0.15 0.00 0.00 55.06 54.55 1za3 s HIS 188 Cb 0.18 -0.13 -0.08 0.00 1.11 0.00 0.00 32.58 33.65 1za3 s HIS 188 CO 0.68 -0.18 -0.11 1.17 -0.85 0.00 0.00 174.74 175.45 1za3 n LYS 189 N 1.82 0.50 -3.19 1.40 3.00 -1.26 -4.78 118.16 115.65 1za3 n LYS 189 Ca -0.22 0.48 -0.37 0.00 -0.00 0.00 0.00 58.31 58.21 1za3 n LYS 189 Cb 0.56 -1.66 -0.06 0.00 0.00 0.00 0.00 35.03 33.87 1za3 n LYS 189 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1za3 s VAL 190 N -2.38 4.66 -0.14 3.15 1.01 -1.26 -0.52 120.40 124.92 1za3 s VAL 190 Ca -0.22 1.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.90 1za3 s VAL 190 Cb 0.04 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.62 1za3 s VAL 190 CO 0.36 0.31 0.09 -0.31 0.00 0.00 0.00 175.10 175.56 1za3 s TYR 191 N -1.39 0.14 -0.02 5.22 1.51 -0.50 -2.53 117.35 119.76 1za3 s TYR 191 Ca 0.38 -0.15 0.01 0.00 -1.01 0.00 0.00 57.07 56.30 1za3 s TYR 191 Cb -0.17 -0.62 0.02 0.00 -0.11 0.00 0.00 41.96 41.07 1za3 s TYR 191 CO 0.21 -0.44 -0.03 0.00 -1.11 0.00 0.00 175.55 174.18 1za3 s ALA 192 N 2.16 0.42 0.05 3.71 0.00 -0.75 -1.85 121.76 125.50 1za3 s ALA 192 Ca 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 51.96 51.98 1za3 s ALA 192 Cb -0.15 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1za3 s ALA 192 CO -0.08 0.00 0.18 0.00 0.00 0.00 0.00 175.76 175.87 1za3 s GLU 194 N -2.36 1.10 0.02 0.00 2.12 -0.56 -2.35 118.70 116.67 1za3 s GLU 194 Ca 0.32 -1.02 -0.20 0.00 0.36 0.00 0.00 54.97 54.43 1za3 s GLU 194 Cb -0.13 -2.37 -0.06 0.00 0.26 0.00 0.00 34.13 31.84 1za3 s GLU 194 CO 0.25 -0.79 0.58 0.08 -0.54 0.00 0.00 175.26 174.84 1za3 s VAL 195 N 1.50 4.87 -0.17 3.70 1.01 0.17 -2.46 120.40 129.02 1za3 s VAL 195 Ca 0.03 1.22 -0.01 0.00 0.00 0.00 0.00 61.98 63.22 1za3 s VAL 195 Cb -0.18 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.33 1za3 s VAL 195 CO -0.13 0.46 -0.04 -0.89 0.00 0.00 0.00 175.10 174.50 1za3 s THR 196 N -0.46 1.05 0.03 3.92 2.01 0.42 -2.03 115.64 120.57 1za3 s THR 196 Ca 0.30 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.66 1za3 s THR 196 Cb -0.18 -1.27 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 1za3 s THR 196 CO 0.17 0.07 -0.04 -2.28 -0.69 0.00 0.00 174.62 171.86 1za3 s HIS 197 N 1.65 0.35 0.36 4.92 2.46 -1.26 -2.07 115.29 121.70 1za3 s HIS 197 Ca 0.00 -0.54 0.03 0.00 0.47 0.00 0.00 55.06 55.03 1za3 s HIS 197 Cb -0.16 -0.24 0.68 0.00 -0.13 0.00 0.00 32.58 32.74 1za3 s HIS 197 CO -0.07 -0.17 2.01 0.37 -2.47 0.00 0.00 174.74 174.41 1za3 h GLN 198 N 4.58 0.76 -0.18 2.88 4.15 -1.94 -2.16 115.11 123.21 1za3 h GLN 198 Ca -0.33 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.01 1za3 h GLN 198 Cb 1.21 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.72 1za3 h GLN 198 CO 0.42 0.51 -0.03 0.78 -1.93 0.00 0.00 178.83 178.58 1za3 h GLY 199 N 0.79 0.28 -5.19 2.39 0.00 -1.85 -3.42 103.07 96.08 1za3 h GLY 199 Ca 0.21 -0.15 -0.57 0.00 0.00 0.00 0.00 47.33 46.83 1za3 h GLY 199 CO -0.04 0.14 0.03 1.08 0.00 0.00 0.00 176.54 177.75 1za3 s LEU 200 N -8.96 4.30 0.17 3.11 1.43 -0.81 -4.61 118.68 113.31 1za3 s LEU 200 Ca -0.06 1.08 -0.11 0.00 -1.03 0.00 0.00 54.13 54.01 1za3 s LEU 200 Cb 0.16 -2.97 0.07 0.00 0.03 0.00 0.00 46.19 43.48 1za3 s LEU 200 CO 0.72 -0.09 1.69 0.77 0.23 0.00 0.00 176.35 179.67 1za3 h SER 201 N 6.78 0.90 -4.72 2.29 4.64 -1.82 -3.43 113.55 118.19 1za3 h SER 201 Ca -0.41 -0.23 -0.15 0.00 -0.47 0.00 0.00 61.79 60.53 1za3 h SER 201 Cb 1.19 -0.24 -0.22 0.00 -0.31 0.00 0.00 62.40 62.82 1za3 h SER 201 CO 0.76 0.90 -0.49 -0.94 -0.87 0.00 0.00 176.83 176.18 1za3 s SER 202 N -6.27 -0.02 0.13 4.97 1.04 -1.26 -5.10 113.70 107.18 1za3 s SER 202 Ca -0.12 -0.08 -0.35 0.00 0.48 0.00 0.00 55.95 55.87 1za3 s SER 202 Cb 0.13 0.24 -0.15 0.00 0.10 0.00 0.00 66.02 66.34 1za3 s SER 202 CO 0.82 -0.31 1.46 -2.65 0.98 0.00 0.00 173.24 173.55 1za3 n PRO 203 N 1.78 1.69 -3.36 4.02 -0.02 -1.26 -4.97 135.00 132.88 1za3 n PRO 203 Ca -0.21 0.61 -0.38 0.00 -2.02 0.00 0.00 63.50 61.51 1za3 n PRO 203 Cb 0.56 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.66 1za3 n PRO 203 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1za3 s VAL 204 N 0.69 5.20 -0.19 -1.45 1.01 -0.86 -4.91 120.40 119.89 1za3 s VAL 204 Ca 0.81 0.84 0.01 0.00 0.00 0.00 0.00 61.98 63.63 1za3 s VAL 204 Cb -0.80 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 31.83 1za3 s VAL 204 CO 0.42 0.31 -0.18 -0.89 0.00 0.00 0.00 175.10 174.76 1za3 s THR 205 N 0.82 2.16 0.06 3.92 2.01 -1.26 -0.65 115.64 122.69 1za3 s THR 205 Ca 0.23 -0.98 0.04 0.00 0.31 0.00 0.00 61.69 61.29 1za3 s THR 205 Cb -0.15 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 1za3 s THR 205 CO 0.09 0.47 -0.03 -0.54 -0.69 0.00 0.00 174.62 173.91 1za3 s LYS 206 N 1.28 2.51 0.16 4.92 -0.14 -0.99 -5.01 119.74 122.47 1za3 s LYS 206 Ca 0.04 -0.81 -0.19 0.00 -1.36 0.00 0.00 55.97 53.64 1za3 s LYS 206 Cb -0.14 -2.51 0.05 0.00 -1.68 0.00 0.00 37.83 33.55 1za3 s LYS 206 CO -0.12 0.56 0.51 -1.54 -0.76 0.00 0.00 175.35 174.01 1za3 s SER 207 N -1.97 -0.36 0.22 2.83 1.04 -1.26 -1.98 113.70 112.21 1za3 s SER 207 Ca 0.22 -0.25 0.05 0.00 0.48 0.00 0.00 55.95 56.45 1za3 s SER 207 Cb -0.11 0.55 -0.05 0.00 0.10 0.00 0.00 66.02 66.51 1za3 s SER 207 CO 0.14 -0.96 -0.06 0.72 0.98 0.00 0.00 173.24 174.05 1za3 s PHE 208 N -3.81 1.60 -0.21 5.02 -0.12 -0.77 -5.01 117.98 114.68 1za3 s PHE 208 Ca 0.04 -0.78 -0.04 0.00 -0.05 0.00 0.00 56.93 56.11 1za3 s PHE 208 Cb -0.00 -0.87 -0.01 0.00 -0.63 0.00 0.00 43.02 41.51 1za3 s PHE 208 CO -0.09 0.12 -0.05 -0.80 -0.05 0.00 0.00 175.22 174.35 1za3 s ASN 209 N -3.30 4.29 0.17 1.98 0.02 -1.26 -1.41 114.94 115.43 1za3 s ASN 209 Ca 0.25 -0.38 -0.32 0.00 -1.02 0.00 0.00 52.86 51.39 1za3 s ASN 209 Cb 0.03 -1.73 -0.16 0.00 0.02 0.00 0.00 41.25 39.41 1za3 s ASN 209 CO 0.07 -0.00 0.97 -1.14 0.02 0.00 0.00 177.10 177.02 1za3 n ARG 210 N 4.67 0.75 -0.80 -0.60 0.63 0.33 -2.89 116.66 118.75 1za3 n ARG 210 Ca -0.18 0.27 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 1za3 n ARG 210 Cb 0.51 -1.63 0.00 0.00 0.45 0.00 0.00 32.46 31.79 1za3 n ARG 210 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1za3 n GLY 211 N 1.81 1.03 3.89 5.14 0.00 -1.26 -4.69 105.19 111.11 1za3 n GLY 211 Ca 0.16 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1za3 n GLY 211 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1za3 n GLU 212 N -0.24 -1.05 0.00 1.61 0.28 -1.22 -5.28 120.64 114.74 1za3 n GLU 212 Ca 0.00 0.48 0.11 0.00 -0.16 0.00 0.00 57.16 57.59 1za3 n GLU 212 Cb 0.16 -2.22 0.67 0.00 1.43 0.00 0.00 31.44 31.48 1za3 n GLU 212 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97