#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1za3 s VAL 2 N 0.00 2.76 0.02 2.62 1.01 -1.26 -4.12 120.40 121.44 1za3 s VAL 2 Ca 0.00 0.76 -0.24 0.00 0.00 0.00 0.00 61.98 62.50 1za3 s VAL 2 Cb 0.00 -3.49 0.06 0.00 0.00 0.00 0.00 36.38 32.95 1za3 s VAL 2 CO 0.00 0.18 0.56 0.00 0.00 0.00 0.00 175.10 175.84 1za3 s GLN 3 N -1.71 1.03 -0.58 2.72 -2.07 0.11 -4.96 119.66 114.18 1za3 s GLN 3 Ca 0.49 -0.10 0.04 0.00 -1.82 0.00 0.00 55.36 53.98 1za3 s GLN 3 Cb -0.39 0.47 0.16 0.00 -1.09 0.00 0.00 33.01 32.16 1za3 s GLN 3 CO 0.52 -0.36 0.39 -0.51 -1.32 0.00 0.00 175.29 174.01 1za3 s LEU 4 N -1.73 3.91 -0.25 2.60 1.02 -1.26 -0.60 118.68 122.37 1za3 s LEU 4 Ca -0.07 -3.38 -0.29 0.00 0.02 0.00 0.00 54.13 50.40 1za3 s LEU 4 Cb -0.01 -1.37 -0.01 0.00 0.02 0.00 0.00 46.19 44.82 1za3 s LEU 4 CO 0.02 -0.15 1.38 -0.69 0.02 0.00 0.00 176.35 176.92 1za3 s VAL 5 N -0.73 4.04 0.29 -1.59 1.01 -0.87 -4.00 120.40 118.55 1za3 s VAL 5 Ca 0.23 1.20 0.06 0.00 0.00 0.00 0.00 61.98 63.47 1za3 s VAL 5 Cb -0.11 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 1za3 s VAL 5 CO -0.11 -0.35 0.40 -1.83 0.00 0.00 0.00 175.10 173.21 1za3 s GLU 6 N 4.15 3.24 0.24 2.72 -1.05 -1.26 -0.35 118.70 126.39 1za3 s GLU 6 Ca 0.60 -0.91 -0.19 0.00 -0.15 0.00 0.00 54.97 54.33 1za3 s GLU 6 Cb -0.20 -2.82 0.02 0.00 -0.44 0.00 0.00 34.13 30.69 1za3 s GLU 6 CO 0.23 0.26 0.60 -1.54 0.95 0.00 0.00 175.26 175.76 1za3 s SER 7 N -4.06 -0.26 0.00 0.83 1.04 0.82 -4.76 113.70 107.31 1za3 s SER 7 Ca 0.39 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1za3 s SER 7 Cb -0.09 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1za3 s SER 7 CO 0.30 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.94 1za3 n GLY 8 N -0.40 0.32 3.35 7.32 0.00 -1.26 -0.47 105.19 114.04 1za3 n GLY 8 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1za3 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1za3 s GLY 9 N -2.07 1.44 0.00 -0.02 0.00 -1.26 -4.61 107.32 100.79 1za3 s GLY 9 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.90 1za3 s GLY 9 CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 173.10 173.88 1za3 n GLY 10 N 1.02 0.54 3.67 0.20 0.00 0.16 -4.95 105.19 105.83 1za3 n GLY 10 Ca 0.12 -1.46 -0.39 0.00 0.00 0.00 0.00 46.02 44.29 1za3 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1za3 s LEU 11 N 0.00 4.17 0.07 0.99 1.98 -1.26 -0.30 118.68 124.33 1za3 s LEU 11 Ca 0.00 0.65 0.05 0.00 -2.89 0.00 0.00 54.13 51.93 1za3 s LEU 11 Cb 0.00 -2.64 -0.03 0.00 0.66 0.00 0.00 46.19 44.18 1za3 s LEU 11 CO 0.00 -0.12 -0.13 0.68 -1.89 0.00 0.00 176.35 174.89 1za3 s VAL 12 N 1.38 1.05 0.42 1.68 -7.23 0.62 -4.96 120.40 113.36 1za3 s VAL 12 Ca 0.23 -1.29 -0.22 0.00 -1.81 0.00 0.00 61.98 58.89 1za3 s VAL 12 Cb -0.15 -1.03 -0.10 0.00 0.56 0.00 0.00 36.38 35.66 1za3 s VAL 12 CO 0.09 -0.25 0.98 -1.10 -0.31 0.00 0.00 175.10 174.52 1za3 s GLN 13 N -1.75 4.17 0.40 4.82 -0.21 -1.26 -0.13 119.66 125.70 1za3 s GLN 13 Ca -0.03 1.26 -0.27 0.00 0.02 0.00 0.00 55.36 56.34 1za3 s GLN 13 Cb -0.10 -2.30 -0.10 0.00 1.00 0.00 0.00 33.01 31.51 1za3 s GLN 13 CO 0.02 -0.10 1.47 -2.30 -2.12 0.00 0.00 175.29 172.27 1za3 n PRO 14 N -0.47 2.56 -2.71 2.91 -0.02 -1.26 -2.92 135.00 133.09 1za3 n PRO 14 Ca 0.07 0.90 -0.08 0.00 -2.02 0.00 0.00 63.50 62.36 1za3 n PRO 14 Cb 0.52 -2.66 0.04 0.00 -0.02 0.00 0.00 33.50 31.38 1za3 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1za3 n GLY 15 N 0.49 0.14 3.06 -1.23 0.00 -0.27 -4.94 105.19 102.44 1za3 n GLY 15 Ca 0.02 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 1za3 n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1za3 s GLY 16 N -3.49 0.25 0.53 -0.02 0.00 -1.15 -4.73 107.32 98.71 1za3 s GLY 16 Ca 0.06 -0.66 -0.17 0.00 0.00 0.00 0.00 44.72 43.96 1za3 s GLY 16 CO 0.32 -0.77 1.01 -0.45 0.00 0.00 0.00 173.10 173.21 1za3 s SER 17 N -1.97 6.38 -0.30 1.64 0.15 -1.26 -3.12 113.70 115.23 1za3 s SER 17 Ca -0.08 1.65 -0.10 0.00 0.70 0.00 0.00 55.95 58.13 1za3 s SER 17 Cb -0.03 -2.52 0.18 0.00 -1.71 0.00 0.00 66.02 61.94 1za3 s SER 17 CO -0.04 -0.75 0.96 -0.22 1.20 0.00 0.00 173.24 174.39 1za3 s LEU 18 N -4.15 -0.65 -0.24 3.45 1.98 0.19 -4.97 118.68 114.29 1za3 s LEU 18 Ca 0.61 0.30 -0.11 0.00 -2.89 0.00 0.00 54.13 52.04 1za3 s LEU 18 Cb -0.12 1.50 -0.05 0.00 0.66 0.00 0.00 46.19 48.19 1za3 s LEU 18 CO 0.32 -0.12 0.17 -0.60 -1.89 0.00 0.00 176.35 174.23 1za3 s ARG 19 N 2.93 4.08 0.14 1.98 3.52 -1.26 -1.29 118.95 129.06 1za3 s ARG 19 Ca 0.09 -0.25 0.01 0.00 -0.13 0.00 0.00 55.73 55.45 1za3 s ARG 19 Cb -0.09 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.73 1za3 s ARG 19 CO -0.16 0.08 0.29 -0.51 -0.81 0.00 0.00 175.30 174.18 1za3 s LEU 20 N 1.01 4.32 -0.04 -0.88 1.02 -0.53 -4.54 118.68 119.04 1za3 s LEU 20 Ca 0.08 0.24 -0.01 0.00 0.02 0.00 0.00 54.13 54.45 1za3 s LEU 20 Cb -0.13 -2.97 0.03 0.00 0.02 0.00 0.00 46.19 43.13 1za3 s LEU 20 CO 0.04 0.06 0.04 -0.55 0.02 0.00 0.00 176.35 175.96 1za3 s SER 21 N -3.05 1.04 -0.42 2.29 0.15 0.38 -1.97 113.70 112.11 1za3 s SER 21 Ca 0.35 0.04 0.02 0.00 0.70 0.00 0.00 55.95 57.06 1za3 s SER 21 Cb -0.11 -0.19 0.11 0.00 -1.71 0.00 0.00 66.02 64.12 1za3 s SER 21 CO 0.28 -0.22 0.17 0.00 1.20 0.00 0.00 173.24 174.67 1za3 s ALA 23 N 0.61 3.31 -0.16 0.00 0.00 0.53 -1.43 121.76 124.63 1za3 s ALA 23 Ca 0.12 -1.46 -0.19 0.00 0.00 0.00 0.00 51.96 50.43 1za3 s ALA 23 Cb -0.21 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 1za3 s ALA 23 CO -0.05 -2.05 0.53 0.00 0.00 0.00 0.00 175.76 174.19 1za3 s ALA 24 N 3.03 3.50 0.04 0.00 0.00 -0.98 -2.05 121.76 125.29 1za3 s ALA 24 Ca 0.21 -0.26 0.04 0.00 0.00 0.00 0.00 51.96 51.95 1za3 s ALA 24 Cb -0.16 -2.78 -0.02 0.00 0.00 0.00 0.00 23.12 20.16 1za3 s ALA 24 CO 0.16 -0.25 -0.12 -1.54 0.00 0.00 0.00 175.76 174.01 1za3 s SER 25 N 0.92 1.40 0.00 0.00 1.04 0.23 -4.75 113.70 112.53 1za3 s SER 25 Ca 0.26 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1za3 s SER 25 Cb -0.15 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1za3 s SER 25 CO 0.11 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.92 1za3 n GLY 26 N 1.89 1.19 3.69 7.32 0.00 -1.26 0.04 105.19 118.06 1za3 n GLY 26 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 1za3 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1za3 s PHE 27 N -2.30 0.49 -0.40 1.61 -0.71 -1.26 -4.68 117.98 110.73 1za3 s PHE 27 Ca 0.00 -1.01 -0.12 0.00 -1.04 0.00 0.00 56.93 54.76 1za3 s PHE 27 Cb 0.00 0.52 0.04 0.00 -1.21 0.00 0.00 43.02 42.37 1za3 s PHE 27 CO 0.00 -1.44 0.25 -1.54 -1.34 0.00 0.00 175.22 171.15 1za3 s SER 28 N -3.14 5.83 0.37 1.98 1.04 -1.26 -4.98 113.70 113.53 1za3 s SER 28 Ca 0.21 -1.12 0.10 0.00 0.48 0.00 0.00 55.95 55.63 1za3 s SER 28 Cb -0.03 -2.06 0.87 0.00 0.10 0.00 0.00 66.02 64.90 1za3 s SER 28 CO 0.15 -0.46 1.86 0.40 0.98 0.00 0.00 173.24 176.17 1za3 h ILE 29 N 5.86 0.79 -0.03 -1.02 2.04 -1.93 -3.19 117.51 120.03 1za3 h ILE 29 Ca -0.26 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1za3 h ILE 29 Cb 1.10 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1za3 h ILE 29 CO 0.72 0.12 -0.03 0.22 0.00 0.00 0.00 178.15 179.18 1za3 h TYR 30 N 0.64 -0.08 0.00 1.37 3.20 -1.94 -2.07 116.97 118.08 1za3 h TYR 30 Ca 0.46 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.33 1za3 h TYR 30 Cb 0.82 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.13 1za3 h TYR 30 CO -0.00 -0.02 0.00 -1.13 -1.64 0.00 0.00 178.16 175.37 1za3 n SER 31 N -2.93 0.07 -4.16 -2.11 3.41 -1.21 -2.60 113.62 104.09 1za3 n SER 31 Ca -0.00 0.52 -0.16 0.00 -0.26 0.00 0.00 58.87 58.97 1za3 n SER 31 Cb 0.01 -0.54 0.03 0.00 -0.26 0.00 0.00 64.21 63.46 1za3 n SER 31 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1za3 n TYR 32 N -1.59 -1.87 -5.05 7.33 4.01 -0.78 -2.98 117.16 116.24 1za3 n TYR 32 Ca 0.02 -1.63 -0.29 0.00 -0.16 0.00 0.00 57.90 55.83 1za3 n TYR 32 Cb 0.09 -0.38 -0.16 0.00 -0.31 0.00 0.00 39.34 38.58 1za3 n TYR 32 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1za3 s SER 33 N -3.58 2.62 -0.20 7.72 0.15 -1.14 -3.95 113.70 115.32 1za3 s SER 33 Ca 0.37 -0.44 -0.02 0.00 0.70 0.00 0.00 55.95 56.57 1za3 s SER 33 Cb -0.03 -0.78 -0.00 0.00 -1.71 0.00 0.00 66.02 63.50 1za3 s SER 33 CO 0.24 0.19 -0.10 -0.63 1.20 0.00 0.00 173.24 174.14 1za3 s ILE 34 N -0.00 2.94 -0.07 6.45 1.09 0.29 -1.07 121.20 130.83 1za3 s ILE 34 Ca -0.05 -0.65 0.02 0.00 -1.10 0.00 0.00 60.65 58.87 1za3 s ILE 34 Cb -0.13 -2.30 -0.03 0.00 -1.06 0.00 0.00 42.46 38.94 1za3 s ILE 34 CO 0.03 0.47 -0.10 -1.00 -0.10 0.00 0.00 174.94 174.24 1za3 s HIS 35 N 1.26 2.84 0.03 3.97 3.76 -0.62 -1.75 115.29 124.79 1za3 s HIS 35 Ca 0.03 -0.12 -0.09 0.00 -0.15 0.00 0.00 55.06 54.73 1za3 s HIS 35 Cb -0.14 -1.70 -0.05 0.00 1.11 0.00 0.00 32.58 31.79 1za3 s HIS 35 CO -0.05 0.22 0.34 -1.58 -0.85 0.00 0.00 174.74 172.82 1za3 s TRP 36 N -0.63 3.61 -0.09 1.40 0.52 0.18 -0.77 118.94 123.15 1za3 s TRP 36 Ca 0.09 0.74 -0.07 0.00 0.02 0.00 0.00 56.10 56.88 1za3 s TRP 36 Cb -0.11 -2.11 0.03 0.00 -1.15 0.00 0.00 33.47 30.13 1za3 s TRP 36 CO 0.01 0.58 0.24 0.08 0.02 0.00 0.00 176.95 177.88 1za3 s VAL 37 N -1.30 -0.02 0.20 4.03 1.01 0.23 -0.72 120.40 123.84 1za3 s VAL 37 Ca 0.29 0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.42 1za3 s VAL 37 Cb -0.14 -0.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 1za3 s VAL 37 CO 0.16 0.03 -0.16 0.00 0.00 0.00 0.00 175.10 175.13 1za3 s ARG 38 N 0.68 1.35 -0.12 2.72 1.70 0.53 0.42 118.95 126.22 1za3 s ARG 38 Ca -0.05 -1.55 -0.04 0.00 -0.47 0.00 0.00 55.73 53.63 1za3 s ARG 38 Cb -0.06 -1.25 0.05 0.00 -0.57 0.00 0.00 34.95 33.12 1za3 s ARG 38 CO -0.04 0.23 0.07 -1.14 -1.08 0.00 0.00 175.30 173.34 1za3 s GLN 39 N -3.36 0.05 0.32 3.89 0.74 -0.47 -0.52 119.66 120.29 1za3 s GLN 39 Ca 0.21 0.08 -0.28 0.00 0.05 0.00 0.00 55.36 55.42 1za3 s GLN 39 Cb -0.03 -1.34 -0.09 0.00 1.10 0.00 0.00 33.01 32.65 1za3 s GLN 39 CO 0.08 -0.53 1.08 0.00 -0.55 0.00 0.00 175.29 175.36 1za3 s ALA 40 N 2.14 3.30 -0.02 1.58 0.00 -1.26 -1.48 121.76 126.02 1za3 s ALA 40 Ca 0.03 0.83 -0.38 0.00 0.00 0.00 0.00 51.96 52.44 1za3 s ALA 40 Cb -0.14 -3.31 -0.17 0.00 0.00 0.00 0.00 23.12 19.49 1za3 s ALA 40 CO -0.07 -0.17 1.37 -0.35 0.00 0.00 0.00 175.76 176.54 1za3 n PRO 41 N 0.79 0.86 -1.35 0.00 -0.04 -1.26 -0.50 135.00 133.50 1za3 n PRO 41 Ca 0.01 0.31 -0.12 0.00 -0.04 0.00 0.00 63.50 63.66 1za3 n PRO 41 Cb 0.46 -1.93 -0.05 0.00 -0.04 0.00 0.00 33.50 31.95 1za3 n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1za3 n GLY 42 N 2.68 1.32 3.39 0.55 0.00 -1.26 -4.99 105.19 106.88 1za3 n GLY 42 Ca 0.21 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 1za3 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1za3 n LYS 43 N -2.64 0.55 -0.72 1.61 5.02 0.35 -5.17 118.16 117.16 1za3 n LYS 43 Ca -0.12 -3.50 -0.11 0.00 -2.02 0.00 0.00 58.31 52.56 1za3 n LYS 43 Cb 0.40 2.01 0.08 0.00 -0.02 0.00 0.00 35.03 37.50 1za3 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1za3 n GLY 44 N -0.84 -1.21 3.89 0.72 0.00 -1.26 -4.63 105.19 101.85 1za3 n GLY 44 Ca -0.04 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 1za3 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1za3 s LEU 45 N 0.00 4.26 -0.14 0.99 1.43 -1.26 -4.07 118.68 119.89 1za3 s LEU 45 Ca 0.28 0.70 -0.04 0.00 -1.03 0.00 0.00 54.13 54.04 1za3 s LEU 45 Cb -0.01 -3.33 0.06 0.00 0.03 0.00 0.00 46.19 42.95 1za3 s LEU 45 CO 0.19 0.05 0.15 -0.70 0.23 0.00 0.00 176.35 176.28 1za3 s GLU 46 N -2.55 0.08 0.21 1.70 2.12 0.32 -4.98 118.70 115.59 1za3 s GLU 46 Ca 0.41 0.29 -0.31 0.00 0.36 0.00 0.00 54.97 55.71 1za3 s GLU 46 Cb -0.12 -0.95 -0.11 0.00 0.26 0.00 0.00 34.13 33.21 1za3 s GLU 46 CO 0.23 -0.50 1.59 -0.46 -0.54 0.00 0.00 175.26 175.58 1za3 s TRP 47 N 2.26 2.96 -0.12 5.30 -0.00 -1.26 -0.35 118.94 127.73 1za3 s TRP 47 Ca 0.04 0.64 -0.11 0.00 -0.00 0.00 0.00 56.10 56.67 1za3 s TRP 47 Cb -0.14 -3.99 -0.04 0.00 -0.00 0.00 0.00 33.47 29.30 1za3 s TRP 47 CO -0.08 -3.57 -0.21 0.28 -0.00 0.00 0.00 176.95 173.36 1za3 n VAL 48 N 3.40 1.03 -3.94 5.86 0.31 0.10 -4.65 118.33 120.44 1za3 n VAL 48 Ca 0.12 0.26 -0.09 0.00 -0.01 0.00 0.00 64.34 64.62 1za3 n VAL 48 Cb 0.38 -2.10 -0.07 0.00 -0.91 0.00 0.00 33.84 31.14 1za3 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1za3 s ALA 49 N -2.91 -0.07 0.05 3.52 0.00 -0.96 0.41 121.76 121.80 1za3 s ALA 49 Ca -0.18 -0.82 -0.10 0.00 0.00 0.00 0.00 51.96 50.85 1za3 s ALA 49 Cb 0.02 0.82 0.01 0.00 0.00 0.00 0.00 23.12 23.97 1za3 s ALA 49 CO 0.26 -0.64 0.22 -1.54 0.00 0.00 0.00 175.76 174.07 1za3 s SER 50 N -2.95 -0.00 -0.20 0.00 1.04 0.84 -0.65 113.70 111.78 1za3 s SER 50 Ca 0.15 -0.35 -0.11 0.00 0.48 0.00 0.00 55.95 56.12 1za3 s SER 50 Cb 0.03 0.31 0.07 0.00 0.10 0.00 0.00 66.02 66.53 1za3 s SER 50 CO -0.01 -0.59 0.49 -0.51 0.98 0.00 0.00 173.24 173.60 1za3 s ILE 51 N -2.69 -0.02 -0.36 -1.02 2.07 -0.72 -2.01 121.20 116.46 1za3 s ILE 51 Ca -0.04 0.07 0.02 0.00 -1.41 0.00 0.00 60.65 59.29 1za3 s ILE 51 Cb -0.00 -0.72 0.11 0.00 0.13 0.00 0.00 42.46 41.97 1za3 s ILE 51 CO -0.04 0.03 0.10 -0.94 -1.91 0.00 0.00 174.94 172.17 1za3 s SER 52 N 1.48 4.43 0.44 4.50 1.04 -0.46 -0.54 113.70 124.59 1za3 s SER 52 Ca -0.10 -2.12 0.18 0.00 0.48 0.00 0.00 55.95 54.39 1za3 s SER 52 Cb -0.07 -1.36 1.11 0.00 0.10 0.00 0.00 66.02 65.79 1za3 s SER 52 CO -0.15 -0.37 1.92 1.55 0.98 0.00 0.00 173.24 177.17 1za3 h PRO 52 N 7.58 0.34 -0.02 4.02 0.13 -1.72 -0.00 132.00 142.33 1za3 h PRO 52 Ca -0.07 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.05 1za3 h PRO 52 Cb 1.00 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 1za3 h PRO 52 CO 0.52 0.22 0.02 0.10 -0.23 0.00 0.00 178.00 178.63 1za3 h TYR 53 N 0.35 0.00 0.00 1.56 -0.00 -1.72 -3.12 116.97 114.04 1za3 h TYR 53 Ca 0.37 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 58.95 1za3 h TYR 53 Cb 0.94 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.64 1za3 h TYR 53 CO -0.00 0.00 -1.58 -1.13 -0.00 0.00 0.00 178.16 175.45 1za3 n SER 54 N -3.95 2.93 0.00 0.10 3.41 -0.88 -5.02 113.62 110.21 1za3 n SER 54 Ca -0.03 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1za3 n SER 54 Cb 0.10 0.71 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 1za3 n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1za3 n GLY 55 N 2.48 0.44 3.72 5.00 0.00 -0.07 -5.07 105.19 111.69 1za3 n GLY 55 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1za3 n GLY 55 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1za3 s TYR 56 N -2.12 3.67 0.02 1.61 5.04 -1.17 -4.85 117.35 119.55 1za3 s TYR 56 Ca 0.00 1.67 0.08 0.00 -2.44 0.00 0.00 57.07 56.38 1za3 s TYR 56 Cb 0.00 -3.16 -0.02 0.00 0.35 0.00 0.00 41.96 39.13 1za3 s TYR 56 CO 0.00 -0.17 -0.24 0.95 -1.34 0.00 0.00 175.55 174.75 1za3 s THR 57 N 0.55 1.90 0.05 4.34 -4.23 -1.26 -1.35 115.64 115.64 1za3 s THR 57 Ca 0.51 -1.20 0.04 0.00 -1.18 0.00 0.00 61.69 59.86 1za3 s THR 57 Cb -0.24 -1.62 -0.03 0.00 1.34 0.00 0.00 72.50 71.96 1za3 s THR 57 CO 0.29 0.38 -0.11 -0.94 -0.54 0.00 0.00 174.62 173.70 1za3 s SER 58 N -0.98 1.26 0.29 3.99 1.04 -0.85 -5.00 113.70 113.45 1za3 s SER 58 Ca 0.10 -0.56 0.04 0.00 0.48 0.00 0.00 55.95 56.00 1za3 s SER 58 Cb -0.09 -0.01 -0.06 0.00 0.10 0.00 0.00 66.02 65.95 1za3 s SER 58 CO 0.01 -0.12 0.03 -0.31 0.98 0.00 0.00 173.24 173.82 1za3 s TYR 59 N -1.26 1.84 0.57 5.02 1.51 -1.26 -0.12 117.35 123.65 1za3 s TYR 59 Ca -0.05 -0.93 -0.06 0.00 -1.01 0.00 0.00 57.07 55.02 1za3 s TYR 59 Cb -0.10 -1.14 -0.00 0.00 -0.11 0.00 0.00 41.96 40.61 1za3 s TYR 59 CO 0.01 0.01 0.89 0.00 -1.11 0.00 0.00 175.55 175.35 1za3 s ALA 60 N -3.32 3.31 0.14 3.71 0.00 0.17 -4.93 121.76 120.83 1za3 s ALA 60 Ca 0.34 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.68 1za3 s ALA 60 Cb 0.07 -2.62 -0.09 0.00 0.00 0.00 0.00 23.12 20.48 1za3 s ALA 60 CO 0.13 -0.72 1.32 -0.44 0.00 0.00 0.00 175.76 176.05 1za3 h ASP 61 N -0.12 0.25 0.00 0.00 3.32 -1.94 -1.46 116.42 116.47 1za3 h ASP 61 Ca -0.46 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.37 1za3 h ASP 61 Cb 1.24 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1za3 h ASP 61 CO 0.61 1.07 0.00 -1.54 -1.72 0.00 0.00 179.24 177.66 1za3 n SER 62 N -3.59 0.13 0.00 6.45 3.41 -1.26 -3.09 113.62 115.66 1za3 n SER 62 Ca -0.04 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.63 1za3 n SER 62 Cb 0.86 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 1za3 n SER 62 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1za3 n VAL 63 N -0.29 0.00 -1.53 -3.33 3.14 -1.13 -5.09 118.33 110.11 1za3 n VAL 63 Ca 0.00 0.00 -0.44 0.00 -2.96 0.00 0.00 64.34 60.94 1za3 n VAL 63 Cb 0.03 0.41 -0.01 0.00 -1.06 0.00 0.00 33.84 33.21 1za3 n VAL 63 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1za3 n LYS 64 N 0.00 0.93 -0.67 1.45 5.02 -0.56 -2.08 118.16 122.25 1za3 n LYS 64 Ca 0.00 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 1za3 n LYS 64 Cb 0.00 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 1za3 n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1za3 n GLY 65 N 1.49 1.05 0.38 0.72 0.00 -1.26 -4.64 105.19 102.92 1za3 n GLY 65 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 1za3 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1za3 n ARG 66 N -2.00 0.08 -3.64 1.61 1.74 -0.98 -5.05 116.66 108.42 1za3 n ARG 66 Ca 0.00 0.02 -0.35 0.00 -0.77 0.00 0.00 57.85 56.75 1za3 n ARG 66 Cb 0.00 -0.88 -0.05 0.00 -1.02 0.00 0.00 32.46 30.51 1za3 n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1za3 s PHE 67 N -2.06 3.60 -0.05 -1.55 0.40 -0.88 -2.48 117.98 114.96 1za3 s PHE 67 Ca -0.04 0.73 0.01 0.00 -0.60 0.00 0.00 56.93 57.02 1za3 s PHE 67 Cb 0.01 -2.11 0.02 0.00 0.51 0.00 0.00 43.02 41.46 1za3 s PHE 67 CO 0.07 0.58 -0.04 0.99 0.70 0.00 0.00 175.22 177.52 1za3 s THR 68 N -1.30 0.54 -0.04 0.64 2.01 -0.08 -4.87 115.64 112.55 1za3 s THR 68 Ca 0.29 -0.09 -0.03 0.00 0.31 0.00 0.00 61.69 62.16 1za3 s THR 68 Cb -0.14 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 1za3 s THR 68 CO 0.16 0.24 0.14 -0.51 -0.69 0.00 0.00 174.62 173.96 1za3 s ILE 69 N 1.14 5.23 0.34 1.82 2.07 -1.26 0.06 121.20 130.60 1za3 s ILE 69 Ca -0.08 -0.14 -0.05 0.00 -1.41 0.00 0.00 60.65 58.97 1za3 s ILE 69 Cb -0.14 -3.38 0.01 0.00 0.13 0.00 0.00 42.46 39.07 1za3 s ILE 69 CO -0.01 0.41 0.51 -0.94 -1.91 0.00 0.00 174.94 173.00 1za3 s SER 70 N -1.64 0.70 -0.28 4.50 1.04 -0.87 -4.98 113.70 112.18 1za3 s SER 70 Ca 0.23 -1.39 -0.21 0.00 0.48 0.00 0.00 55.95 55.05 1za3 s SER 70 Cb -0.12 0.67 0.12 0.00 0.10 0.00 0.00 66.02 66.80 1za3 s SER 70 CO 0.13 -1.32 0.98 0.00 0.98 0.00 0.00 173.24 174.01 1za3 s ALA 71 N -3.08 -2.06 -0.35 5.32 0.00 -1.26 -0.73 121.76 119.60 1za3 s ALA 71 Ca 0.28 2.03 0.02 0.00 0.00 0.00 0.00 51.96 54.29 1za3 s ALA 71 Cb -0.01 -1.52 0.10 0.00 0.00 0.00 0.00 23.12 21.70 1za3 s ALA 71 CO 0.18 -0.28 0.09 0.34 0.00 0.00 0.00 175.76 176.09 1za3 s ASP 72 N 0.69 4.45 0.28 0.00 2.15 -0.82 -4.97 116.67 118.45 1za3 s ASP 72 Ca -0.02 -2.11 -0.00 0.00 0.43 0.00 0.00 52.55 50.85 1za3 s ASP 72 Cb -0.05 -1.37 0.50 0.00 -0.30 0.00 0.00 42.92 41.70 1za3 s ASP 72 CO -0.10 -0.37 1.87 0.71 -0.17 0.00 0.00 175.17 177.11 1za3 h THR 73 N 6.40 1.01 -0.08 1.71 1.35 -1.96 0.37 112.91 121.70 1za3 h THR 73 Ca -0.07 -0.37 0.04 0.00 -0.55 0.00 0.00 66.41 65.46 1za3 h THR 73 Cb 1.00 -0.15 -0.05 0.00 -1.73 0.00 0.00 68.15 67.22 1za3 h THR 73 CO 0.52 0.20 -0.22 -1.28 -0.25 0.00 0.00 175.52 174.49 1za3 h SER 74 N 1.07 -0.66 0.25 5.36 0.87 -1.95 -1.12 113.55 117.36 1za3 h SER 74 Ca 0.45 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 61.12 1za3 h SER 74 Cb 0.32 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1za3 h SER 74 CO -0.21 -0.27 -0.02 0.29 -0.53 0.00 0.00 176.83 176.09 1za3 n LYS 75 N -5.35 0.81 -4.27 2.24 5.02 -0.16 -4.93 118.16 111.52 1za3 n LYS 75 Ca -0.04 -0.11 -0.32 0.00 -2.02 0.00 0.00 58.31 55.83 1za3 n LYS 75 Cb 0.26 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.70 1za3 n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1za3 n ASN 76 N -1.00 -0.16 -4.44 4.39 2.85 0.11 -4.88 115.26 112.13 1za3 n ASN 76 Ca 0.19 -1.19 -0.22 0.00 -0.11 0.00 0.00 54.58 53.25 1za3 n ASN 76 Cb 0.20 -2.02 -0.10 0.00 1.24 0.00 0.00 39.78 39.10 1za3 n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1za3 s THR 77 N -4.01 1.76 0.02 -0.44 2.01 -1.18 -2.33 115.64 111.48 1za3 s THR 77 Ca 0.21 -2.16 0.06 0.00 0.31 0.00 0.00 61.69 60.11 1za3 s THR 77 Cb -0.12 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.94 1za3 s THR 77 CO 0.97 -0.32 -0.18 0.00 -0.69 0.00 0.00 174.62 174.41 1za3 s ALA 78 N -2.94 1.49 0.36 7.40 0.00 -0.51 -1.94 121.76 125.61 1za3 s ALA 78 Ca 0.29 -0.88 0.08 0.00 0.00 0.00 0.00 51.96 51.46 1za3 s ALA 78 Cb 0.03 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 1za3 s ALA 78 CO 0.12 0.33 0.08 0.71 0.00 0.00 0.00 175.76 177.01 1za3 s TYR 79 N -0.66 2.61 -0.30 0.00 1.51 0.09 -0.05 117.35 120.55 1za3 s TYR 79 Ca 0.06 -0.45 -0.03 0.00 -1.01 0.00 0.00 57.07 55.64 1za3 s TYR 79 Cb -0.08 -1.63 0.11 0.00 -0.11 0.00 0.00 41.96 40.25 1za3 s TYR 79 CO 0.01 0.38 0.17 -1.17 -1.11 0.00 0.00 175.55 173.83 1za3 s LEU 80 N -3.79 0.42 -0.00 -1.29 2.96 -0.83 -2.04 118.68 114.10 1za3 s LEU 80 Ca 0.37 -1.27 -0.30 0.00 -0.22 0.00 0.00 54.13 52.71 1za3 s LEU 80 Cb 0.00 -0.17 -0.03 0.00 0.50 0.00 0.00 46.19 46.48 1za3 s LEU 80 CO 0.21 -0.42 1.03 -1.58 -1.32 0.00 0.00 176.35 174.27 1za3 s GLN 81 N 2.05 4.52 -0.21 1.98 2.00 0.11 -1.46 119.66 128.65 1za3 s GLN 81 Ca 0.10 1.48 0.01 0.00 -2.00 0.00 0.00 55.36 54.95 1za3 s GLN 81 Cb -0.16 -3.45 0.03 0.00 0.80 0.00 0.00 33.01 30.22 1za3 s GLN 81 CO -0.32 -0.12 -0.15 -1.64 -0.50 0.00 0.00 175.29 172.56 1za3 s MET 82 N 1.15 2.86 0.41 1.67 -1.94 -0.41 -0.90 119.30 122.14 1za3 s MET 82 Ca 0.53 -0.93 0.07 0.00 -1.71 0.00 0.00 55.69 53.65 1za3 s MET 82 Cb -0.22 -2.73 -0.07 0.00 2.01 0.00 0.00 34.83 33.82 1za3 s MET 82 CO 0.27 -0.31 0.08 -0.80 -0.01 0.00 0.00 175.02 174.25 1za3 s ASN 82 N 1.28 4.10 -0.88 3.03 0.01 -1.03 -0.64 114.94 120.81 1za3 s ASN 82 Ca 0.02 -1.26 -0.12 0.00 -0.71 0.00 0.00 52.86 50.79 1za3 s ASN 82 Cb -0.15 -0.41 0.02 0.00 0.41 0.00 0.00 41.25 41.12 1za3 s ASN 82 CO -0.09 -0.50 0.23 -1.20 -1.51 0.00 0.00 177.10 174.03 1za3 n SER 82 N -1.09 -1.09 -4.76 -1.22 7.64 -1.24 -4.76 113.62 107.10 1za3 n SER 82 Ca -0.04 -0.83 -0.37 0.00 1.01 0.00 0.00 58.87 58.64 1za3 n SER 82 Cb 0.66 -1.01 0.01 0.00 -1.01 0.00 0.00 64.21 62.86 1za3 n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1za3 s LEU 82 N -6.24 3.91 0.38 -3.43 1.43 -1.18 -4.67 118.68 108.88 1za3 s LEU 82 Ca 0.17 2.49 0.08 0.00 -1.03 0.00 0.00 54.13 55.83 1za3 s LEU 82 Cb -0.09 -4.30 -0.04 0.00 0.03 0.00 0.00 46.19 41.79 1za3 s LEU 82 CO 0.63 -1.24 0.22 -0.13 0.23 0.00 0.00 176.35 176.05 1za3 s ARG 83 N -2.86 2.38 0.38 1.70 0.52 -1.26 -1.11 118.95 118.71 1za3 s ARG 83 Ca 0.68 -1.62 0.05 0.00 -0.52 0.00 0.00 55.73 54.32 1za3 s ARG 83 Cb -0.33 -2.18 0.76 0.00 0.52 0.00 0.00 34.95 33.72 1za3 s ARG 83 CO 0.39 -0.03 2.03 0.00 0.02 0.00 0.00 175.30 177.71 1za3 h ALA 84 N 1.38 1.65 0.00 2.13 0.00 -1.97 -2.54 119.26 119.91 1za3 h ALA 84 Ca -0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1za3 h ALA 84 Cb 1.26 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1za3 h ALA 84 CO 0.64 0.31 0.00 1.05 0.00 0.00 0.00 179.25 181.25 1za3 h GLU 85 N 0.70 0.00 0.00 0.00 9.09 -1.95 -2.56 114.58 119.86 1za3 h GLU 85 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.62 1za3 h GLU 85 Cb -0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.07 1za3 h GLU 85 CO -0.05 0.00 -0.05 -0.25 0.05 0.00 0.00 179.01 178.71 1za3 n ASP 86 N -2.60 0.75 -4.63 3.06 8.00 -0.96 -4.81 116.55 115.36 1za3 n ASP 86 Ca 0.00 0.53 -0.51 0.00 0.71 0.00 0.00 54.79 55.53 1za3 n ASP 86 Cb 0.19 -0.70 -0.06 0.00 -0.02 0.00 0.00 41.12 40.54 1za3 n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1za3 n THR 87 N -2.20 0.42 -3.84 -3.53 -1.04 -0.97 -4.89 114.28 98.23 1za3 n THR 87 Ca 0.05 -0.16 -0.02 0.00 -2.04 0.00 0.00 64.05 61.89 1za3 n THR 87 Cb 0.42 -1.73 0.01 0.00 -1.82 0.00 0.00 70.33 67.21 1za3 n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1za3 s ALA 88 N 5.04 -1.71 -0.28 2.41 0.00 -0.77 -4.55 121.76 121.91 1za3 s ALA 88 Ca 0.99 -0.14 -0.16 0.00 0.00 0.00 0.00 51.96 52.65 1za3 s ALA 88 Cb -0.79 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 1za3 s ALA 88 CO 0.53 -1.07 0.41 0.08 0.00 0.00 0.00 175.76 175.71 1za3 s VAL 89 N -2.41 5.14 -0.17 0.00 1.01 -0.55 -0.65 120.40 122.78 1za3 s VAL 89 Ca 0.20 0.59 -0.10 0.00 0.00 0.00 0.00 61.98 62.67 1za3 s VAL 89 Cb -0.02 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1za3 s VAL 89 CO 0.04 0.11 0.16 -0.31 0.00 0.00 0.00 175.10 175.10 1za3 s TYR 90 N 2.14 3.48 0.05 5.22 1.51 -0.44 -1.37 117.35 127.93 1za3 s TYR 90 Ca 0.16 0.44 0.07 0.00 -1.01 0.00 0.00 57.07 56.73 1za3 s TYR 90 Cb -0.16 -2.13 -0.03 0.00 -0.11 0.00 0.00 41.96 39.53 1za3 s TYR 90 CO 0.10 0.41 -0.17 0.71 -1.11 0.00 0.00 175.55 175.49 1za3 s TYR 91 N -0.04 2.57 0.26 2.71 2.02 0.17 -2.53 117.35 122.51 1za3 s TYR 91 Ca 0.12 -0.25 0.11 0.00 -0.37 0.00 0.00 57.07 56.68 1za3 s TYR 91 Cb -0.12 -1.46 -0.05 0.00 -0.40 0.00 0.00 41.96 39.94 1za3 s TYR 91 CO 0.01 0.28 -0.15 0.00 -1.57 0.00 0.00 175.55 174.12 1za3 s SER 93 N -3.38 -0.68 0.11 0.00 1.04 0.05 -0.27 113.70 110.56 1za3 s SER 93 Ca 0.29 1.21 -0.19 0.00 0.48 0.00 0.00 55.95 57.74 1za3 s SER 93 Cb -0.06 1.20 -0.07 0.00 0.10 0.00 0.00 66.02 67.19 1za3 s SER 93 CO 0.15 -0.30 0.60 -0.60 0.98 0.00 0.00 173.24 174.07 1za3 s ARG 94 N 0.04 4.22 -0.21 4.02 3.52 -0.02 -1.58 118.95 128.94 1za3 s ARG 94 Ca -0.02 0.76 -0.01 0.00 -0.13 0.00 0.00 55.73 56.33 1za3 s ARG 94 Cb -0.04 -3.17 0.06 0.00 -1.56 0.00 0.00 34.95 30.24 1za3 s ARG 94 CO 0.03 0.59 -0.01 -0.47 -0.81 0.00 0.00 175.30 174.63 1za3 s TYR 95 N -1.19 1.64 -0.10 5.12 6.14 -0.23 -1.14 117.35 127.58 1za3 s TYR 95 Ca 0.32 -1.23 -0.30 0.00 0.64 0.00 0.00 57.07 56.50 1za3 s TYR 95 Cb -0.19 -1.27 -0.03 0.00 0.42 0.00 0.00 41.96 40.89 1za3 s TYR 95 CO 0.20 -0.67 1.29 -1.12 0.64 0.00 0.00 175.55 175.88 1za3 s SER 96 N 1.65 6.95 0.00 4.32 0.01 -1.17 -2.90 113.70 122.56 1za3 s SER 96 Ca -0.03 1.83 0.00 0.00 1.31 0.00 0.00 55.95 59.06 1za3 s SER 96 Cb -0.18 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.51 1za3 s SER 96 CO -0.07 -0.70 0.00 -1.20 0.41 0.00 0.00 173.24 171.68 1za3 n SER 97 N 5.96 0.00 -0.05 2.44 7.64 -1.26 -1.62 113.62 126.74 1za3 n SER 97 Ca 0.13 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.95 1za3 n SER 97 Cb 0.45 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.59 1za3 n SER 97 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1za3 n TYR 98 N 0.00 0.00 -0.26 1.43 9.36 -1.26 -4.38 117.16 122.05 1za3 n TYR 98 Ca 0.00 0.00 0.23 0.00 3.32 0.00 0.00 57.90 61.45 1za3 n TYR 98 Cb 0.00 -0.40 0.57 0.00 -0.63 0.00 0.00 39.34 38.88 1za3 n TYR 98 CO 0.00 0.00 0.00 -0.92 0.22 0.00 0.00 176.86 176.16 1za3 h TYR 99 N 0.00 0.42 0.00 2.98 3.20 -1.98 -3.41 116.97 118.18 1za3 h TYR 99 Ca -0.23 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.66 1za3 h TYR 99 Cb 1.43 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.57 1za3 h TYR 99 CO 0.01 0.08 0.08 -1.13 -1.64 0.00 0.00 178.16 175.56 1za3 n SER 100 N -4.47 0.00 0.00 -2.11 3.41 -1.16 -4.97 113.62 104.33 1za3 n SER 100 Ca 0.21 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1za3 n SER 100 Cb 0.84 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.77 1za3 n SER 100 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1za3 n TYR 100 N 2.23 0.00 -2.57 7.33 9.36 -1.26 -5.02 117.16 127.23 1za3 n TYR 100 Ca 0.00 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.81 1za3 n TYR 100 Cb 0.00 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 38.67 1za3 n TYR 100 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1za3 s SER 100 N 0.00 7.30 0.15 2.98 0.15 -1.26 -5.18 113.70 117.84 1za3 s SER 100 Ca 0.00 1.98 0.05 0.00 0.70 0.00 0.00 55.95 58.68 1za3 s SER 100 Cb 0.00 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 1za3 s SER 100 CO 0.00 -0.22 0.10 -0.72 1.20 0.00 0.00 173.24 173.60 1za3 s TYR 100 N 0.11 3.10 0.00 3.44 1.13 -1.26 -4.92 117.35 118.95 1za3 s TYR 100 Ca 0.50 -0.02 0.00 0.00 -1.41 0.00 0.00 57.07 56.14 1za3 s TYR 100 Cb -0.27 -1.51 0.00 0.00 -1.10 0.00 0.00 41.96 39.07 1za3 s TYR 100 CO 0.32 0.52 0.28 0.43 -2.51 0.00 0.00 175.55 174.59 1za3 n SER 100 N -0.13 0.55 -4.42 -0.18 7.64 -1.25 -4.99 113.62 110.84 1za3 n SER 100 Ca -0.09 -0.88 -0.36 0.00 1.01 0.00 0.00 58.87 58.55 1za3 n SER 100 Cb 0.54 0.13 -0.09 0.00 -1.01 0.00 0.00 64.21 63.78 1za3 n SER 100 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1za3 n TYR 100 N -0.13 -1.22 -3.94 1.43 4.01 -0.64 -4.90 117.16 111.77 1za3 n TYR 100 Ca 0.00 0.65 -0.12 0.00 -0.16 0.00 0.00 57.90 58.27 1za3 n TYR 100 Cb 0.07 -2.39 -0.02 0.00 -0.31 0.00 0.00 39.34 36.69 1za3 n TYR 100 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1za3 n ALA 100 N -4.35 -0.55 -2.76 -0.72 0.00 -1.26 -4.99 120.51 105.88 1za3 n ALA 100 Ca -0.13 -1.36 -0.43 0.00 0.00 0.00 0.00 53.44 51.51 1za3 n ALA 100 Cb 0.59 1.10 -0.05 0.00 0.00 0.00 0.00 19.45 21.08 1za3 n ALA 100 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1za3 s MET 100 N -2.58 3.18 0.00 0.00 -1.94 -1.26 -3.06 119.30 113.65 1za3 s MET 100 Ca 0.23 -0.71 0.18 0.00 -1.71 0.00 0.00 55.69 53.68 1za3 s MET 100 Cb -0.02 -4.10 0.11 0.00 2.01 0.00 0.00 34.83 32.83 1za3 s MET 100 CO 0.17 -1.37 1.03 -0.40 -0.01 0.00 0.00 175.02 174.43 1za3 n ASP 101 N 6.72 2.31 -3.79 3.03 5.68 -0.30 -4.85 116.55 125.35 1za3 n ASP 101 Ca -0.04 -1.66 -0.13 0.00 -0.50 0.00 0.00 54.79 52.47 1za3 n ASP 101 Cb 0.46 0.11 -0.13 0.00 -1.14 0.00 0.00 41.12 40.41 1za3 n ASP 101 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1za3 s TYR 102 N -1.61 -0.18 -0.08 2.11 2.02 -1.24 -4.97 117.35 113.40 1za3 s TYR 102 Ca 0.19 0.46 0.05 0.00 -0.37 0.00 0.00 57.07 57.40 1za3 s TYR 102 Cb 0.15 0.01 -0.00 0.00 -0.40 0.00 0.00 41.96 41.71 1za3 s TYR 102 CO 0.27 -0.12 -0.24 -1.58 -1.57 0.00 0.00 175.55 172.31 1za3 s TRP 103 N 0.55 2.45 0.78 2.71 0.52 -1.26 -0.84 118.94 123.84 1za3 s TRP 103 Ca -0.04 -0.90 -0.13 0.00 0.02 0.00 0.00 56.10 55.06 1za3 s TRP 103 Cb -0.05 -1.63 0.07 0.00 -1.15 0.00 0.00 33.47 30.71 1za3 s TRP 103 CO -0.03 -0.33 1.17 0.20 0.02 0.00 0.00 176.95 177.98 1za3 s GLY 104 N 0.16 2.07 0.47 0.98 0.00 0.63 -4.80 107.32 106.83 1za3 s GLY 104 Ca -0.13 0.70 0.32 0.00 0.00 0.00 0.00 44.72 45.61 1za3 s GLY 104 CO 0.07 1.10 1.97 0.06 0.00 0.00 0.00 173.10 176.30 1za3 h GLN 105 N -0.82 0.00 0.00 2.90 -0.00 -1.90 -3.41 115.11 111.88 1za3 h GLN 105 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.19 1za3 h GLN 105 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 1za3 h GLN 105 CO 0.48 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.72 1za3 n GLY 106 N -0.92 -2.66 3.75 0.06 0.00 -1.26 -5.03 105.19 99.12 1za3 n GLY 106 Ca -0.01 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 1za3 n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1za3 s THR 107 N -1.11 4.46 0.14 2.61 -4.23 -1.05 -4.92 115.64 111.54 1za3 s THR 107 Ca 0.00 -0.63 -0.28 0.00 -1.18 0.00 0.00 61.69 59.60 1za3 s THR 107 Cb 0.00 -3.07 -0.07 0.00 1.34 0.00 0.00 72.50 70.70 1za3 s THR 107 CO 0.00 0.26 0.87 -0.22 -0.54 0.00 0.00 174.62 174.99 1za3 s LEU 108 N -1.96 4.54 -0.13 4.79 0.20 -1.26 -1.32 118.68 123.53 1za3 s LEU 108 Ca 0.24 1.72 0.02 0.00 0.69 0.00 0.00 54.13 56.80 1za3 s LEU 108 Cb -0.12 -3.45 0.00 0.00 -0.43 0.00 0.00 46.19 42.20 1za3 s LEU 108 CO 0.16 0.06 -0.21 -0.69 -0.29 0.00 0.00 176.35 175.39 1za3 s VAL 109 N -0.53 2.23 -0.09 1.68 1.01 0.18 0.37 120.40 125.25 1za3 s VAL 109 Ca 0.41 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1za3 s VAL 109 Cb -0.23 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.26 1za3 s VAL 109 CO 0.28 0.54 -0.19 0.28 0.00 0.00 0.00 175.10 176.01 1za3 s THR 110 N 0.70 1.70 -0.42 3.92 -1.32 0.59 -1.84 115.64 118.98 1za3 s THR 110 Ca -0.09 -0.81 -0.05 0.00 -1.21 0.00 0.00 61.69 59.53 1za3 s THR 110 Cb -0.16 -1.49 0.10 0.00 -1.51 0.00 0.00 72.50 69.44 1za3 s THR 110 CO 0.01 0.48 0.23 -0.69 -2.21 0.00 0.00 174.62 172.44 1za3 s VAL 111 N 0.46 3.63 -0.28 5.08 1.01 -1.26 -0.28 120.40 128.77 1za3 s VAL 111 Ca -0.17 -1.83 -0.22 0.00 0.00 0.00 0.00 61.98 59.76 1za3 s VAL 111 Cb -0.17 -3.38 0.09 0.00 0.00 0.00 0.00 36.38 32.91 1za3 s VAL 111 CO 0.07 -0.63 0.79 -0.55 0.00 0.00 0.00 175.10 174.78 1za3 s SER 112 N 2.02 -0.72 0.50 3.32 0.15 0.82 -4.46 113.70 115.33 1za3 s SER 112 Ca 0.06 1.30 0.29 0.00 0.70 0.00 0.00 55.95 58.30 1za3 s SER 112 Cb -0.23 1.31 1.17 0.00 -1.71 0.00 0.00 66.02 66.56 1za3 s SER 112 CO -0.02 -0.22 1.92 0.77 1.20 0.00 0.00 173.24 176.89 1za3 h SER 113 N 5.37 0.00 -4.14 5.45 4.64 -1.95 -3.41 113.55 119.51 1za3 h SER 113 Ca -0.29 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.49 1za3 h SER 113 Cb 1.18 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 63.42 1za3 h SER 113 CO 0.10 0.10 0.44 0.00 -0.87 0.00 0.00 176.83 176.59 1za3 s ALA 114 N -3.68 2.27 0.35 5.18 0.00 -1.26 -4.99 121.76 119.64 1za3 s ALA 114 Ca 0.01 0.99 -0.07 0.00 0.00 0.00 0.00 51.96 52.89 1za3 s ALA 114 Cb 0.10 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 1za3 s ALA 114 CO 0.59 -1.66 0.66 -1.12 0.00 0.00 0.00 175.76 174.22 1za3 s SER 115 N -1.78 6.46 0.19 0.00 0.01 -1.26 -5.04 113.70 112.27 1za3 s SER 115 Ca 0.77 0.89 -0.30 0.00 1.31 0.00 0.00 55.95 58.63 1za3 s SER 115 Cb -0.32 -2.22 -0.08 0.00 0.21 0.00 0.00 66.02 63.62 1za3 s SER 115 CO 0.41 -0.31 1.09 0.42 0.41 0.00 0.00 173.24 175.26 1za3 s THR 116 N -2.26 3.86 -0.00 1.44 -4.23 -1.26 -4.86 115.64 108.33 1za3 s THR 116 Ca 0.47 1.64 0.01 0.00 -1.18 0.00 0.00 61.69 62.64 1za3 s THR 116 Cb -0.10 -4.05 -0.00 0.00 1.34 0.00 0.00 72.50 69.69 1za3 s THR 116 CO 0.32 0.30 -0.05 -0.75 -0.54 0.00 0.00 174.62 173.90 1za3 s LYS 117 N -0.49 0.39 0.50 3.99 2.20 -0.48 -4.98 119.74 120.87 1za3 s LYS 117 Ca 0.48 -0.17 -0.11 0.00 -0.36 0.00 0.00 55.97 55.82 1za3 s LYS 117 Cb -0.29 -0.38 -0.05 0.00 -1.51 0.00 0.00 37.83 35.59 1za3 s LYS 117 CO 0.35 0.10 0.89 0.20 -0.36 0.00 0.00 175.35 176.53 1za3 s GLY 118 N -0.08 1.79 0.47 5.54 0.00 -1.26 -1.39 107.32 112.39 1za3 s GLY 118 Ca 0.01 -0.15 -0.20 0.00 0.00 0.00 0.00 44.72 44.38 1za3 s GLY 118 CO -0.00 0.07 1.00 2.56 0.00 0.00 0.00 173.10 176.73 1za3 s PRO 119 N -4.46 3.95 0.10 2.90 0.04 -1.26 -4.48 135.00 131.80 1za3 s PRO 119 Ca 0.53 1.23 -0.04 0.00 0.04 0.00 0.00 61.00 62.76 1za3 s PRO 119 Cb -0.10 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 1za3 s PRO 119 CO 0.40 -0.28 0.32 -1.12 0.04 0.00 0.00 177.00 176.36 1za3 s SER 120 N -2.17 6.47 -0.22 6.66 0.01 -0.76 -4.93 113.70 118.74 1za3 s SER 120 Ca 0.64 0.52 -0.01 0.00 1.31 0.00 0.00 55.95 58.42 1za3 s SER 120 Cb -0.13 -2.06 0.06 0.00 0.21 0.00 0.00 66.02 64.10 1za3 s SER 120 CO 0.19 0.11 -0.02 -0.69 0.41 0.00 0.00 173.24 173.24 1za3 s VAL 121 N -1.57 1.16 0.13 3.43 1.01 -1.26 -1.43 120.40 121.87 1za3 s VAL 121 Ca 0.38 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.43 1za3 s VAL 121 Cb -0.13 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1za3 s VAL 121 CO 0.24 -0.15 -0.00 -0.36 0.00 0.00 0.00 175.10 174.82 1za3 s PHE 122 N 1.56 2.91 0.38 5.22 0.08 -0.59 -4.95 117.98 122.60 1za3 s PHE 122 Ca -0.04 -0.08 -0.24 0.00 0.12 0.00 0.00 56.93 56.69 1za3 s PHE 122 Cb -0.18 -1.46 -0.10 0.00 -0.57 0.00 0.00 43.02 40.71 1za3 s PHE 122 CO -0.07 0.49 0.98 -1.25 -0.10 0.00 0.00 175.22 175.27 1za3 s PRO 123 N -2.59 4.35 -0.84 0.24 0.04 -1.26 -0.26 135.00 134.68 1za3 s PRO 123 Ca 0.26 1.33 -0.10 0.00 0.04 0.00 0.00 61.00 62.53 1za3 s PRO 123 Cb -0.11 -2.55 0.22 0.00 0.04 0.00 0.00 34.50 32.11 1za3 s PRO 123 CO 0.18 0.06 0.76 -0.51 0.04 0.00 0.00 177.00 177.53 1za3 s LEU 124 N -2.55 6.30 0.46 -3.56 1.43 0.16 -4.71 118.68 116.21 1za3 s LEU 124 Ca 0.56 -2.96 -0.23 0.00 -1.03 0.00 0.00 54.13 50.46 1za3 s LEU 124 Cb -0.17 -2.11 -0.07 0.00 0.03 0.00 0.00 46.19 43.86 1za3 s LEU 124 CO 0.22 -0.45 1.20 0.00 0.23 0.00 0.00 176.35 177.55 1za3 s ALA 125 N -0.25 2.99 0.59 4.21 0.00 -1.26 -1.52 121.76 126.53 1za3 s ALA 125 Ca 0.21 1.02 -0.12 0.00 0.00 0.00 0.00 51.96 53.06 1za3 s ALA 125 Cb -0.12 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 1za3 s ALA 125 CO -0.08 -0.76 1.02 -1.25 0.00 0.00 0.00 175.76 174.69 1za3 s PRO 126 N -2.65 3.67 0.48 0.00 0.04 -1.26 -4.87 135.00 130.41 1za3 s PRO 126 Ca 0.63 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1za3 s PRO 126 Cb -0.31 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1za3 s PRO 126 CO 0.38 -0.51 0.00 0.45 0.04 0.00 0.00 177.00 177.36 1za3 n SER 127 N -2.45 -7.77 0.00 6.66 2.88 -1.26 -4.66 113.62 107.02 1za3 n SER 127 Ca 0.06 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.80 1za3 n SER 127 Cb 0.54 -4.23 0.00 0.00 -0.75 0.00 0.00 64.21 59.77 1za3 n SER 127 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1za3 n GLY 134 N -1.15 -0.28 3.13 0.46 0.00 -1.26 -5.13 105.19 100.97 1za3 n GLY 134 Ca 0.00 -1.42 -0.20 0.00 0.00 0.00 0.00 46.02 44.40 1za3 n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1za3 s THR 135 N -1.92 1.05 0.13 2.61 2.01 -1.26 -3.23 115.64 115.02 1za3 s THR 135 Ca 0.00 -0.96 0.06 0.00 0.31 0.00 0.00 61.69 61.10 1za3 s THR 135 Cb 0.00 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 1za3 s THR 135 CO 0.00 -0.00 -0.15 0.00 -0.69 0.00 0.00 174.62 173.78 1za3 s ALA 136 N -0.84 1.61 -0.05 7.40 0.00 -0.94 -4.85 121.76 124.10 1za3 s ALA 136 Ca 0.01 -1.34 0.04 0.00 0.00 0.00 0.00 51.96 50.67 1za3 s ALA 136 Cb -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1za3 s ALA 136 CO 0.01 0.13 -0.15 0.00 0.00 0.00 0.00 175.76 175.75 1za3 s ALA 137 N -2.13 1.41 0.38 0.00 0.00 -1.26 -0.87 121.76 119.29 1za3 s ALA 137 Ca 0.11 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 51.51 1za3 s ALA 137 Cb -0.05 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 1za3 s ALA 137 CO 0.04 0.22 0.15 -0.48 0.00 0.00 0.00 175.76 175.69 1za3 s LEU 138 N 0.22 1.92 0.00 0.00 0.05 -0.87 -4.15 118.68 115.85 1za3 s LEU 138 Ca -0.07 -1.67 0.00 0.00 0.05 0.00 0.00 54.13 52.44 1za3 s LEU 138 Cb -0.12 0.03 0.00 0.00 -2.05 0.00 0.00 46.19 44.04 1za3 s LEU 138 CO 0.03 -0.95 0.00 0.61 -0.55 0.00 0.00 176.35 175.49 1za3 n GLY 139 N -0.83 -1.27 3.14 -3.48 0.00 -0.57 -0.32 105.19 101.86 1za3 n GLY 139 Ca -0.03 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 1za3 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1za3 s LEU 141 N -1.39 4.51 -0.42 0.00 2.96 0.64 -1.66 118.68 123.32 1za3 s LEU 141 Ca -0.14 -1.05 -0.19 0.00 -0.22 0.00 0.00 54.13 52.52 1za3 s LEU 141 Cb -0.07 -1.95 0.02 0.00 0.50 0.00 0.00 46.19 44.69 1za3 s LEU 141 CO 0.02 -0.35 0.57 -0.69 -1.32 0.00 0.00 176.35 174.58 1za3 s VAL 142 N 1.48 4.92 0.04 1.68 1.01 0.48 -1.53 120.40 128.48 1za3 s VAL 142 Ca 0.00 0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.14 1za3 s VAL 142 Cb -0.19 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 1za3 s VAL 142 CO 0.05 -0.48 -0.24 -0.75 0.00 0.00 0.00 175.10 173.68 1za3 s LYS 143 N 2.59 1.61 -0.72 2.72 2.20 -0.52 -0.56 119.74 127.06 1za3 s LYS 143 Ca 0.20 -1.03 -0.02 0.00 -0.36 0.00 0.00 55.97 54.76 1za3 s LYS 143 Cb -0.15 -1.76 -0.02 0.00 -1.51 0.00 0.00 37.83 34.39 1za3 s LYS 143 CO 0.17 0.45 0.66 -0.25 -0.36 0.00 0.00 175.35 176.02 1za3 n ASP 144 N 1.82 -6.72 -4.11 1.43 8.00 -0.44 -1.84 116.55 114.69 1za3 n ASP 144 Ca -0.17 -0.23 -0.21 0.00 0.71 0.00 0.00 54.79 54.89 1za3 n ASP 144 Cb 0.53 -4.68 -0.09 0.00 -0.02 0.00 0.00 41.12 36.85 1za3 n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1za3 s TYR 145 N -3.10 1.71 -0.30 1.24 1.13 -0.43 -4.10 117.35 113.49 1za3 s TYR 145 Ca 0.12 -1.27 -0.25 0.00 -1.41 0.00 0.00 57.07 54.26 1za3 s TYR 145 Cb -0.02 -1.01 0.20 0.00 -1.10 0.00 0.00 41.96 40.03 1za3 s TYR 145 CO 0.65 -0.37 1.49 0.12 -2.51 0.00 0.00 175.55 174.93 1za3 s PHE 146 N -3.45 -0.00 0.42 -3.49 2.19 -0.49 -1.08 117.98 112.08 1za3 s PHE 146 Ca 0.33 0.01 -0.03 0.00 0.33 0.00 0.00 56.93 57.56 1za3 s PHE 146 Cb 0.05 0.47 0.09 0.00 -1.31 0.00 0.00 43.02 42.32 1za3 s PHE 146 CO 0.16 -0.00 0.58 -0.35 1.83 0.00 0.00 175.22 177.44 1za3 n PRO 147 N 1.58 -0.08 -1.29 10.12 -0.04 -1.26 -1.38 135.00 142.65 1za3 n PRO 147 Ca -0.10 -1.30 -0.30 0.00 -0.04 0.00 0.00 63.50 61.76 1za3 n PRO 147 Cb 0.57 -0.47 0.10 0.00 -0.04 0.00 0.00 33.50 33.66 1za3 n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1za3 s GLU 148 N -4.04 1.97 0.41 0.54 2.02 -1.26 -4.75 118.70 113.59 1za3 s GLU 148 Ca 0.36 0.99 0.08 0.00 0.02 0.00 0.00 54.97 56.42 1za3 s GLU 148 Cb -0.02 -1.88 -0.02 0.00 0.10 0.00 0.00 34.13 32.32 1za3 s GLU 148 CO 0.24 -1.79 0.39 -1.25 0.02 0.00 0.00 175.26 172.87 1za3 s PRO 149 N -4.95 2.56 0.12 0.39 0.04 -1.26 -4.98 135.00 126.93 1za3 s PRO 149 Ca 0.62 -1.51 0.08 0.00 0.04 0.00 0.00 61.00 60.23 1za3 s PRO 149 Cb -0.17 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 1za3 s PRO 149 CO 0.56 -0.19 -0.14 0.54 0.04 0.00 0.00 177.00 177.81 1za3 s VAL 150 N -2.46 3.07 0.40 -0.36 0.11 -1.26 -4.54 120.40 115.36 1za3 s VAL 150 Ca 0.48 -1.44 0.07 0.00 -2.93 0.00 0.00 61.98 58.17 1za3 s VAL 150 Cb -0.04 -2.43 -0.06 0.00 -1.53 0.00 0.00 36.38 32.32 1za3 s VAL 150 CO 0.28 0.08 0.09 0.42 -3.33 0.00 0.00 175.10 172.64 1za3 s THR 151 N -1.23 2.25 -0.00 5.04 -4.23 -0.33 -4.97 115.64 112.15 1za3 s THR 151 Ca 0.20 -1.85 -0.09 0.00 -1.18 0.00 0.00 61.69 58.77 1za3 s THR 151 Cb -0.11 -2.96 0.01 0.00 1.34 0.00 0.00 72.50 70.78 1za3 s THR 151 CO 0.12 -0.03 0.17 -0.69 -0.54 0.00 0.00 174.62 173.65 1za3 s VAL 152 N -2.63 0.08 0.36 2.29 1.01 -1.26 -1.91 120.40 118.33 1za3 s VAL 152 Ca 0.38 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 1za3 s VAL 152 Cb 0.05 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.99 1za3 s VAL 152 CO 0.20 -0.35 0.55 -0.94 0.00 0.00 0.00 175.10 174.56 1za3 s SER 153 N -1.34 0.75 -0.02 3.32 1.04 -0.08 -4.99 113.70 112.37 1za3 s SER 153 Ca -0.14 -1.43 0.02 0.00 0.48 0.00 0.00 55.95 54.88 1za3 s SER 153 Cb -0.07 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1za3 s SER 153 CO 0.02 -1.39 -0.07 0.26 0.98 0.00 0.00 173.24 173.04 1za3 s TRP 154 N -2.86 0.74 -1.57 5.02 0.52 -1.26 -1.06 118.94 118.47 1za3 s TRP 154 Ca 0.27 -0.16 -0.14 0.00 0.02 0.00 0.00 56.10 56.09 1za3 s TRP 154 Cb -0.01 -0.52 0.10 0.00 -1.15 0.00 0.00 33.47 31.88 1za3 s TRP 154 CO 0.19 -0.06 0.88 0.09 0.02 0.00 0.00 176.95 178.07 1za3 n ASN 155 N 3.18 -3.93 -2.93 2.95 4.13 -0.49 -0.48 115.26 117.70 1za3 n ASN 155 Ca -0.16 -0.86 -0.20 0.00 1.68 0.00 0.00 54.58 55.03 1za3 n ASN 155 Cb 0.56 -3.51 0.01 0.00 -1.54 0.00 0.00 39.78 35.30 1za3 n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1za3 n SER 156 N -2.80 -4.89 0.00 6.41 7.64 -1.26 -2.32 113.62 116.39 1za3 n SER 156 Ca 0.02 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1za3 n SER 156 Cb 0.53 -4.03 0.00 0.00 -1.01 0.00 0.00 64.21 59.70 1za3 n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1za3 n GLY 157 N -1.20 0.68 0.18 0.23 0.00 0.37 -4.95 105.19 100.50 1za3 n GLY 157 Ca -0.11 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.98 1za3 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1za3 h ALA 158 N 0.00 0.85 -2.90 4.61 0.00 -1.24 -3.39 119.26 117.19 1za3 h ALA 158 Ca 0.00 -0.29 -0.71 0.00 0.00 0.00 0.00 54.91 53.91 1za3 h ALA 158 Cb 0.00 -0.05 -0.31 0.00 0.00 0.00 0.00 17.79 17.43 1za3 h ALA 158 CO 0.00 0.39 -0.48 -1.17 0.00 0.00 0.00 179.25 177.99 1za3 s LEU 159 N -6.51 5.28 -0.12 0.00 0.20 -1.16 -4.85 118.68 111.52 1za3 s LEU 159 Ca 0.03 -1.80 0.14 0.00 0.69 0.00 0.00 54.13 53.20 1za3 s LEU 159 Cb 0.08 -1.92 -0.20 0.00 -0.43 0.00 0.00 46.19 43.72 1za3 s LEU 159 CO 0.69 -0.57 0.11 0.35 -0.29 0.00 0.00 176.35 176.64 1za3 n THR 160 N 4.79 0.83 -1.92 3.68 -2.24 -1.26 -4.22 114.28 113.94 1za3 n THR 160 Ca -0.07 -0.58 -0.42 0.00 -2.27 0.00 0.00 64.05 60.70 1za3 n THR 160 Cb 0.42 -0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.16 1za3 n THR 160 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1za3 s SER 161 N -4.65 6.55 0.00 3.42 0.01 -1.26 -3.01 113.70 114.75 1za3 s SER 161 Ca -0.07 2.27 0.00 0.00 1.31 0.00 0.00 55.95 59.46 1za3 s SER 161 Cb 0.06 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1za3 s SER 161 CO 0.62 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.86 1za3 n GLY 162 N 4.33 0.73 3.81 3.44 0.00 -1.26 -4.69 105.19 111.55 1za3 n GLY 162 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1za3 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1za3 s VAL 163 N -2.11 4.45 -0.23 1.61 1.01 -1.16 -3.13 120.40 120.84 1za3 s VAL 163 Ca 0.00 1.42 -0.04 0.00 0.00 0.00 0.00 61.98 63.36 1za3 s VAL 163 Cb 0.00 -3.81 0.08 0.00 0.00 0.00 0.00 36.38 32.65 1za3 s VAL 163 CO 0.00 0.01 0.10 -1.00 0.00 0.00 0.00 175.10 174.21 1za3 s HIS 164 N -1.76 0.48 -0.47 5.22 3.76 -0.94 -4.98 115.29 116.59 1za3 s HIS 164 Ca 0.51 -0.70 -0.20 0.00 -0.15 0.00 0.00 55.06 54.52 1za3 s HIS 164 Cb -0.15 -0.89 0.04 0.00 1.11 0.00 0.00 32.58 32.69 1za3 s HIS 164 CO 0.20 -0.66 0.64 0.99 -0.85 0.00 0.00 174.74 175.05 1za3 s THR 165 N 2.04 4.83 0.64 1.30 2.01 -1.26 -1.80 115.64 123.40 1za3 s THR 165 Ca 0.05 -0.13 -0.14 0.00 0.31 0.00 0.00 61.69 61.78 1za3 s THR 165 Cb -0.16 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.09 1za3 s THR 165 CO -0.20 -0.69 1.07 -0.36 -0.69 0.00 0.00 174.62 173.75 1za3 s PHE 166 N 2.78 2.89 0.49 4.92 0.08 -0.76 -5.00 117.98 123.38 1za3 s PHE 166 Ca 0.20 1.51 -0.23 0.00 0.12 0.00 0.00 56.93 58.52 1za3 s PHE 166 Cb -0.16 -3.03 -0.07 0.00 -0.57 0.00 0.00 43.02 39.19 1za3 s PHE 166 CO 0.16 -1.32 1.28 -2.30 -0.10 0.00 0.00 175.22 172.94 1za3 n PRO 167 N -2.43 1.75 -2.37 0.24 -0.02 -1.26 -4.64 135.00 126.27 1za3 n PRO 167 Ca 0.09 0.63 -0.37 0.00 -2.02 0.00 0.00 63.50 61.83 1za3 n PRO 167 Cb 0.53 -2.45 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 1za3 n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1za3 s ALA 168 N -1.27 3.02 -0.03 3.55 0.00 -1.26 -4.86 121.76 120.91 1za3 s ALA 168 Ca 0.67 0.84 0.01 0.00 0.00 0.00 0.00 51.96 53.48 1za3 s ALA 168 Cb -0.46 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 1za3 s ALA 168 CO 0.53 -0.48 -0.04 0.08 0.00 0.00 0.00 175.76 175.85 1za3 s VAL 169 N -1.59 3.88 -0.36 0.00 1.01 -0.42 -4.94 120.40 117.97 1za3 s VAL 169 Ca 0.61 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.77 1za3 s VAL 169 Cb -0.26 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.48 1za3 s VAL 169 CO 0.32 0.49 0.93 -0.22 0.00 0.00 0.00 175.10 176.62 1za3 s LEU 170 N -1.18 3.99 0.80 3.92 0.20 -1.26 -1.86 118.68 123.29 1za3 s LEU 170 Ca 0.16 0.61 -0.12 0.00 0.69 0.00 0.00 54.13 55.47 1za3 s LEU 170 Cb -0.11 -3.28 0.07 0.00 -0.43 0.00 0.00 46.19 42.44 1za3 s LEU 170 CO 0.05 -0.85 1.11 -1.10 -0.29 0.00 0.00 176.35 175.27 1za3 s GLN 171 N 3.48 2.10 0.56 1.98 -0.21 -0.82 -4.93 119.66 121.81 1za3 s GLN 171 Ca 0.38 0.50 0.31 0.00 0.02 0.00 0.00 55.36 56.57 1za3 s GLN 171 Cb -0.12 -1.93 1.65 0.00 1.00 0.00 0.00 33.01 33.61 1za3 s GLN 171 CO 0.18 -1.58 2.14 0.66 -2.12 0.00 0.00 175.29 174.58 1za3 h SER 172 N -1.05 0.00 0.82 5.90 4.64 -1.97 -2.30 113.55 119.59 1za3 h SER 172 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1za3 h SER 172 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1za3 h SER 172 CO 0.61 0.07 0.00 0.77 -0.87 0.00 0.00 176.83 177.41 1za3 h SER 173 N 0.00 0.00 0.00 4.97 4.64 -2.02 -3.45 113.55 117.69 1za3 h SER 173 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1za3 h SER 173 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1za3 h SER 173 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1za3 n GLY 174 N 0.04 0.69 3.52 -0.77 0.00 -0.87 -5.07 105.19 102.73 1za3 n GLY 174 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1za3 n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1za3 s LEU 175 N 0.00 2.90 0.60 0.99 1.43 -1.26 -4.90 118.68 118.44 1za3 s LEU 175 Ca 0.00 -0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 52.77 1za3 s LEU 175 Cb 0.00 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 1za3 s LEU 175 CO 0.00 0.32 1.05 -0.31 0.23 0.00 0.00 176.35 177.65 1za3 s TYR 176 N -0.83 3.06 0.10 0.29 2.02 -0.24 -1.95 117.35 119.79 1za3 s TYR 176 Ca 0.13 1.49 -0.02 0.00 -0.37 0.00 0.00 57.07 58.30 1za3 s TYR 176 Cb -0.11 -2.97 -0.03 0.00 -0.40 0.00 0.00 41.96 38.45 1za3 s TYR 176 CO 0.03 -1.05 0.05 0.45 -1.57 0.00 0.00 175.55 173.46 1za3 s SER 177 N -2.97 0.34 0.09 2.29 0.15 -0.78 -1.31 113.70 111.51 1za3 s SER 177 Ca 0.62 -1.04 -0.26 0.00 0.70 0.00 0.00 55.95 55.98 1za3 s SER 177 Cb -0.15 0.27 0.08 0.00 -1.71 0.00 0.00 66.02 64.52 1za3 s SER 177 CO 0.39 -0.69 0.72 -1.48 1.20 0.00 0.00 173.24 173.38 1za3 s LEU 178 N -2.97 -0.49 0.27 3.45 0.05 0.28 -1.30 118.68 117.96 1za3 s LEU 178 Ca 0.15 0.02 0.12 0.00 0.05 0.00 0.00 54.13 54.46 1za3 s LEU 178 Cb 0.07 2.36 -0.05 0.00 -2.05 0.00 0.00 46.19 46.52 1za3 s LEU 178 CO -0.04 -0.82 -0.18 -0.44 -0.55 0.00 0.00 176.35 174.32 1za3 s SER 179 N -2.59 3.69 -0.07 1.48 0.01 -1.26 -0.39 113.70 114.56 1za3 s SER 179 Ca 0.02 -0.97 -0.03 0.00 1.31 0.00 0.00 55.95 56.29 1za3 s SER 179 Cb -0.01 -0.36 0.04 0.00 0.21 0.00 0.00 66.02 65.90 1za3 s SER 179 CO -0.11 0.04 0.15 -0.55 0.41 0.00 0.00 173.24 173.18 1za3 s SER 180 N -3.45 0.49 0.51 2.44 0.15 -0.66 -1.83 113.70 111.35 1za3 s SER 180 Ca 0.29 0.30 0.02 0.00 0.70 0.00 0.00 55.95 57.27 1za3 s SER 180 Cb -0.05 0.22 -0.01 0.00 -1.71 0.00 0.00 66.02 64.46 1za3 s SER 180 CO 0.15 -0.21 0.07 0.68 1.20 0.00 0.00 173.24 175.12 1za3 s VAL 181 N 1.91 1.32 -0.29 4.45 -7.23 -0.75 -0.92 120.40 118.90 1za3 s VAL 181 Ca -0.01 -1.92 -0.18 0.00 -1.81 0.00 0.00 61.98 58.07 1za3 s VAL 181 Cb -0.12 -2.24 0.14 0.00 0.56 0.00 0.00 36.38 34.72 1za3 s VAL 181 CO -0.06 0.00 0.99 0.54 -0.31 0.00 0.00 175.10 176.26 1za3 s VAL 182 N -2.84 0.00 -0.21 1.32 0.11 0.57 -2.23 120.40 117.12 1za3 s VAL 182 Ca 0.13 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 58.99 1za3 s VAL 182 Cb 0.02 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 1za3 s VAL 182 CO 0.07 0.00 0.54 0.42 -3.33 0.00 0.00 175.10 172.80 1za3 s THR 183 N 1.13 5.08 0.08 5.04 -4.23 -1.18 -2.06 115.64 119.49 1za3 s THR 183 Ca -0.07 1.00 0.05 0.00 -1.18 0.00 0.00 61.69 61.49 1za3 s THR 183 Cb -0.04 -3.86 -0.03 0.00 1.34 0.00 0.00 72.50 69.91 1za3 s THR 183 CO -0.13 0.15 -0.14 0.68 -0.54 0.00 0.00 174.62 174.64 1za3 s VAL 184 N 1.78 1.08 0.15 2.29 -7.23 -0.05 -4.78 120.40 113.65 1za3 s VAL 184 Ca 0.25 -1.35 -0.34 0.00 -1.81 0.00 0.00 61.98 58.73 1za3 s VAL 184 Cb -0.16 -1.10 -0.16 0.00 0.56 0.00 0.00 36.38 35.53 1za3 s VAL 184 CO 0.10 -0.27 1.17 -2.65 -0.31 0.00 0.00 175.10 173.13 1za3 n PRO 185 N 1.18 1.08 0.25 4.82 -0.02 -1.26 -2.22 135.00 138.83 1za3 n PRO 185 Ca -0.20 0.39 0.12 0.00 -2.02 0.00 0.00 63.50 61.78 1za3 n PRO 185 Cb 0.55 -1.89 0.66 0.00 -0.02 0.00 0.00 33.50 32.79 1za3 n PRO 185 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1za3 h SER 186 N 3.47 0.00 0.68 2.55 0.87 -1.88 -2.71 113.55 116.53 1za3 h SER 186 Ca -0.44 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.07 1za3 h SER 186 Cb 1.35 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.30 1za3 h SER 186 CO 0.71 0.15 -0.23 0.77 -0.53 0.00 0.00 176.83 177.70 1za3 h SER 187 N 0.00 0.00 -0.58 6.23 4.64 -1.89 -3.27 113.55 118.67 1za3 h SER 187 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1za3 h SER 187 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1za3 h SER 187 CO 0.02 0.23 0.00 -1.54 -0.87 0.00 0.00 176.83 174.67 1za3 n SER 188 N -3.55 4.44 -0.02 4.97 3.41 -1.02 -4.38 113.62 117.46 1za3 n SER 188 Ca -0.01 -2.43 -0.16 0.00 -0.26 0.00 0.00 58.87 56.02 1za3 n SER 188 Cb 0.38 -0.53 -0.09 0.00 -0.26 0.00 0.00 64.21 63.70 1za3 n SER 188 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1za3 h LEU 189 N 3.64 0.48 -2.00 1.04 3.38 -1.69 -3.06 115.31 117.10 1za3 h LEU 189 Ca 0.00 -0.67 0.17 0.00 0.09 0.00 0.00 57.88 57.47 1za3 h LEU 189 Cb 1.35 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1za3 h LEU 189 CO 0.19 1.07 0.43 1.23 0.09 0.00 0.00 178.44 181.46 1za3 h GLY 190 N -0.07 0.00 0.00 0.83 0.00 -1.83 -3.37 103.07 98.62 1za3 h GLY 190 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1za3 h GLY 190 CO 0.09 0.00 -0.20 -1.30 0.00 0.00 0.00 176.54 175.13 1za3 n THR 191 N -4.28 0.78 -2.06 4.70 -2.24 -1.25 -5.06 114.28 104.85 1za3 n THR 191 Ca 0.11 0.26 -0.41 0.00 -2.27 0.00 0.00 64.05 61.73 1za3 n THR 191 Cb 0.67 -1.57 -0.03 0.00 -2.10 0.00 0.00 70.33 67.30 1za3 n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1za3 s GLN 192 N -1.77 4.29 -0.07 -0.78 0.74 -1.16 -4.97 119.66 115.95 1za3 s GLN 192 Ca -0.06 2.23 -0.27 0.00 0.05 0.00 0.00 55.36 57.31 1za3 s GLN 192 Cb 0.01 -3.15 -0.03 0.00 1.10 0.00 0.00 33.01 30.94 1za3 s GLN 192 CO 0.09 -0.41 0.87 0.95 -0.55 0.00 0.00 175.29 176.24 1za3 s THR 193 N 0.27 4.91 -0.20 -0.34 -4.23 -1.26 -4.84 115.64 109.95 1za3 s THR 193 Ca 0.61 1.79 -0.03 0.00 -1.18 0.00 0.00 61.69 62.87 1za3 s THR 193 Cb -0.40 -4.20 -0.01 0.00 1.34 0.00 0.00 72.50 69.23 1za3 s THR 193 CO 0.39 0.13 -0.06 -0.31 -0.54 0.00 0.00 174.62 174.23 1za3 s TYR 194 N 1.35 2.93 -0.04 3.99 2.02 -1.26 -4.98 117.35 121.36 1za3 s TYR 194 Ca 0.44 -0.89 0.06 0.00 -0.37 0.00 0.00 57.07 56.32 1za3 s TYR 194 Cb -0.19 -2.04 -0.02 0.00 -0.40 0.00 0.00 41.96 39.31 1za3 s TYR 194 CO 0.20 -0.48 -0.21 0.42 -1.57 0.00 0.00 175.55 173.91 1za3 s ILE 195 N 1.22 2.44 -0.40 2.71 1.01 -1.26 -0.69 121.20 126.22 1za3 s ILE 195 Ca 0.03 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.75 1za3 s ILE 195 Cb -0.14 -1.90 0.11 0.00 0.01 0.00 0.00 42.46 40.54 1za3 s ILE 195 CO -0.02 0.58 0.14 0.00 0.00 0.00 0.00 174.94 175.64 1za3 s ASN 197 N 0.73 6.63 -0.18 0.00 -0.87 -0.23 -3.00 114.94 118.02 1za3 s ASN 197 Ca 0.12 0.45 -0.02 0.00 -1.57 0.00 0.00 52.86 51.84 1za3 s ASN 197 Cb -0.21 -2.50 -0.01 0.00 -0.02 0.00 0.00 41.25 38.51 1za3 s ASN 197 CO -0.05 -1.06 -0.09 -0.69 -2.57 0.00 0.00 177.10 172.63 1za3 s VAL 198 N 3.93 3.16 -0.12 1.60 1.01 -0.42 -0.91 120.40 128.65 1za3 s VAL 198 Ca 0.42 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 1za3 s VAL 198 Cb -0.10 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 1za3 s VAL 198 CO 0.25 0.48 -0.08 0.21 0.00 0.00 0.00 175.10 175.96 1za3 s ASN 199 N 0.95 4.43 -0.45 3.32 3.84 -0.81 -1.74 114.94 124.49 1za3 s ASN 199 Ca -0.01 -0.18 0.02 0.00 0.21 0.00 0.00 52.86 52.90 1za3 s ASN 199 Cb -0.15 -1.53 0.14 0.00 -0.55 0.00 0.00 41.25 39.16 1za3 s ASN 199 CO -0.00 0.22 0.26 -2.28 -2.79 0.00 0.00 177.10 172.51 1za3 s HIS 200 N 0.04 1.95 0.26 0.43 5.65 -0.23 -1.19 115.29 122.21 1za3 s HIS 200 Ca -0.02 -2.43 -0.02 0.00 0.25 0.00 0.00 55.06 52.84 1za3 s HIS 200 Cb -0.14 -1.82 0.49 0.00 -1.18 0.00 0.00 32.58 29.93 1za3 s HIS 200 CO 0.03 -0.77 1.80 -0.22 -0.65 0.00 0.00 174.74 174.93 1za3 h LYS 201 N 6.59 0.74 0.00 2.88 3.64 -1.82 -2.31 116.57 126.29 1za3 h LYS 201 Ca 0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1za3 h LYS 201 Cb 0.92 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1za3 h LYS 201 CO 0.48 0.49 0.03 -1.35 -2.27 0.00 0.00 179.45 176.83 1za3 h PRO 202 N 0.77 0.00 0.00 1.90 0.11 -1.90 -3.09 132.00 129.78 1za3 h PRO 202 Ca 0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.54 1za3 h PRO 202 Cb 0.52 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.59 1za3 h PRO 202 CO -0.30 0.00 -0.46 -1.13 -0.21 0.00 0.00 178.00 175.90 1za3 n SER 203 N -2.60 0.54 -3.64 -2.05 3.41 -0.97 -4.97 113.62 103.34 1za3 n SER 203 Ca -0.02 -2.23 -0.20 0.00 -0.26 0.00 0.00 58.87 56.15 1za3 n SER 203 Cb 0.08 -0.26 0.05 0.00 -0.26 0.00 0.00 64.21 63.82 1za3 n SER 203 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1za3 n ASN 204 N -0.23 -1.38 -3.96 4.04 5.15 -0.91 -4.94 115.26 113.03 1za3 n ASN 204 Ca 0.04 -0.77 -0.31 0.00 -0.60 0.00 0.00 54.58 52.94 1za3 n ASN 204 Cb 0.73 -4.31 -0.15 0.00 -0.53 0.00 0.00 39.78 35.51 1za3 n ASN 204 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1za3 s THR 205 N -3.60 1.69 -0.14 -0.44 2.01 -0.95 -5.04 115.64 109.17 1za3 s THR 205 Ca 0.00 -1.42 0.01 0.00 0.31 0.00 0.00 61.69 60.59 1za3 s THR 205 Cb -0.00 -1.96 0.02 0.00 0.01 0.00 0.00 72.50 70.56 1za3 s THR 205 CO 0.79 -0.17 -0.15 -0.75 -0.69 0.00 0.00 174.62 173.66 1za3 s LYS 206 N 1.30 2.30 0.04 4.92 2.20 -1.26 -1.07 119.74 128.17 1za3 s LYS 206 Ca -0.04 -0.57 0.06 0.00 -0.36 0.00 0.00 55.97 55.06 1za3 s LYS 206 Cb -0.19 -2.07 -0.02 0.00 -1.51 0.00 0.00 37.83 34.04 1za3 s LYS 206 CO -0.07 -0.19 -0.17 0.08 -0.36 0.00 0.00 175.35 174.64 1za3 s VAL 207 N 1.37 1.33 -0.15 4.02 1.01 -0.71 -5.02 120.40 122.25 1za3 s VAL 207 Ca 0.02 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 1za3 s VAL 207 Cb -0.13 -1.17 0.03 0.00 0.00 0.00 0.00 36.38 35.11 1za3 s VAL 207 CO -0.09 0.11 -0.07 -1.81 0.00 0.00 0.00 175.10 173.25 1za3 s ASP 208 N -1.07 2.64 -0.17 3.32 1.01 -1.26 -1.31 116.67 119.83 1za3 s ASP 208 Ca 0.04 -0.55 0.01 0.00 0.71 0.00 0.00 52.55 52.76 1za3 s ASP 208 Cb -0.08 -0.93 0.02 0.00 1.01 0.00 0.00 42.92 42.95 1za3 s ASP 208 CO 0.01 -0.15 -0.16 -0.75 0.21 0.00 0.00 175.17 174.33 1za3 s LYS 209 N 1.63 2.58 0.03 8.23 2.47 -1.16 -4.93 119.74 128.59 1za3 s LYS 209 Ca 0.02 -0.73 -0.30 0.00 -1.56 0.00 0.00 55.97 53.40 1za3 s LYS 209 Cb -0.14 -2.36 -0.04 0.00 -1.46 0.00 0.00 37.83 33.82 1za3 s LYS 209 CO -0.08 -0.25 1.07 0.21 0.16 0.00 0.00 175.35 176.45 1za3 s LYS 210 N 1.38 4.52 -0.35 4.03 2.20 -1.26 -1.64 119.74 128.62 1za3 s LYS 210 Ca 0.04 1.56 -0.11 0.00 -0.36 0.00 0.00 55.97 57.10 1za3 s LYS 210 Cb -0.13 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 32.79 1za3 s LYS 210 CO -0.11 -0.12 0.20 0.08 -0.36 0.00 0.00 175.35 175.04 1za3 s VAL 211 N 0.95 4.75 0.25 4.02 1.01 0.13 -4.92 120.40 126.59 1za3 s VAL 211 Ca 0.54 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 62.03 1za3 s VAL 211 Cb -0.25 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1za3 s VAL 211 CO 0.29 -0.10 -0.16 -1.61 0.00 0.00 0.00 175.10 173.51 1za3 s GLU 212 N 1.61 1.52 -0.11 2.72 2.02 -1.26 -4.49 118.70 120.72 1za3 s GLU 212 Ca 0.04 -1.70 -0.30 0.00 0.02 0.00 0.00 54.97 53.03 1za3 s GLU 212 Cb -0.18 -1.43 -0.03 0.00 0.10 0.00 0.00 34.13 32.59 1za3 s GLU 212 CO 0.07 0.24 1.30 -2.14 0.02 0.00 0.00 175.26 174.75 1za3 s PRO 213 N -3.59 4.26 0.00 0.39 0.02 -1.26 -4.49 135.00 130.33 1za3 s PRO 213 Ca 0.27 1.75 0.32 0.00 0.02 0.00 0.00 61.00 63.35 1za3 s PRO 213 Cb -0.02 -3.71 1.83 0.00 0.02 0.00 0.00 34.50 32.62 1za3 s PRO 213 CO 0.11 -0.64 2.19 1.63 -0.33 0.00 0.00 177.00 179.96