#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d5i s VAL 2 N 0.00 5.33 0.04 1.69 1.01 -1.26 -4.55 120.40 122.65 1d5i s VAL 2 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 1d5i s VAL 2 Cb 0.00 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1d5i s VAL 2 CO 0.00 0.43 -0.01 0.00 0.00 0.00 0.00 175.10 175.52 1d5i s GLN 3 N 0.47 0.51 -0.18 2.72 1.03 -0.36 -5.01 119.66 118.84 1d5i s GLN 3 Ca 0.07 -0.95 0.01 0.00 0.04 0.00 0.00 55.36 54.53 1d5i s GLN 3 Cb -0.12 0.18 0.02 0.00 0.03 0.00 0.00 33.01 33.13 1d5i s GLN 3 CO -0.01 -0.10 -0.19 -1.17 -2.54 0.00 0.00 175.29 171.28 1d5i s LEU 4 N -2.33 2.08 -0.29 2.60 1.98 -1.26 -1.55 118.68 119.91 1d5i s LEU 4 Ca -0.02 -0.63 -0.02 0.00 -2.89 0.00 0.00 54.13 50.57 1d5i s LEU 4 Cb 0.01 -1.44 0.04 0.00 0.66 0.00 0.00 46.19 45.46 1d5i s LEU 4 CO -0.06 -0.01 -0.02 -1.58 -1.89 0.00 0.00 176.35 172.79 1d5i s GLN 5 N 1.31 2.55 0.20 1.98 2.00 -0.71 -4.10 119.66 122.89 1d5i s GLN 5 Ca 0.05 -1.18 -0.01 0.00 -2.00 0.00 0.00 55.36 52.22 1d5i s GLN 5 Cb -0.13 -3.13 -0.04 0.00 0.80 0.00 0.00 33.01 30.51 1d5i s GLN 5 CO -0.13 -0.56 0.39 -0.65 -0.50 0.00 0.00 175.29 173.84 1d5i s GLN 6 N 1.27 3.52 0.87 1.67 -0.21 -1.26 0.15 119.66 125.67 1d5i s GLN 6 Ca -0.04 -0.35 -0.11 0.00 0.02 0.00 0.00 55.36 54.88 1d5i s GLN 6 Cb -0.19 -2.84 0.11 0.00 1.00 0.00 0.00 33.01 31.09 1d5i s GLN 6 CO -0.02 0.40 1.09 -1.54 -2.12 0.00 0.00 175.29 173.11 1d5i s SER 7 N -3.18 3.66 0.97 5.90 1.04 -0.85 -4.96 113.70 116.28 1d5i s SER 7 Ca 0.38 1.64 -0.12 0.00 0.48 0.00 0.00 55.95 58.33 1d5i s SER 7 Cb -0.11 -2.31 0.17 0.00 0.10 0.00 0.00 66.02 63.87 1d5i s SER 7 CO 0.29 -2.54 1.11 -0.83 0.98 0.00 0.00 173.24 172.25 1d5i s GLY 8 N -3.33 1.57 0.57 7.32 0.00 -1.26 -4.61 107.32 107.58 1d5i s GLY 8 Ca 0.63 -0.44 -0.19 0.00 0.00 0.00 0.00 44.72 44.72 1d5i s GLY 8 CO 0.57 0.16 0.90 0.00 0.00 0.00 0.00 173.10 174.73 1d5i n ALA 9 N -4.05 -0.03 -2.57 3.20 0.00 -1.26 -4.71 120.51 111.10 1d5i n ALA 9 Ca 0.06 0.03 -0.23 0.00 0.00 0.00 0.00 53.44 53.30 1d5i n ALA 9 Cb 0.58 -2.06 -0.14 0.00 0.00 0.00 0.00 19.45 17.83 1d5i n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1d5i s GLU 10 N -2.55 1.15 -0.15 0.00 0.41 0.20 -4.97 118.70 112.80 1d5i s GLU 10 Ca 0.73 -0.81 0.00 0.00 -0.41 0.00 0.00 54.97 54.48 1d5i s GLU 10 Cb -0.44 -1.20 0.02 0.00 -1.78 0.00 0.00 34.13 30.74 1d5i s GLU 10 CO 0.50 0.30 -0.14 -1.17 -0.49 0.00 0.00 175.26 174.26 1d5i s LEU 11 N -1.07 1.65 0.14 1.80 2.96 -1.26 -1.27 118.68 121.63 1d5i s LEU 11 Ca 0.04 -0.47 0.07 0.00 -0.22 0.00 0.00 54.13 53.56 1d5i s LEU 11 Cb -0.08 -1.16 -0.04 0.00 0.50 0.00 0.00 46.19 45.41 1d5i s LEU 11 CO 0.01 -0.06 -0.17 -0.04 -1.32 0.00 0.00 176.35 174.77 1d5i s MET 12 N 1.49 1.16 0.34 1.98 -1.94 0.22 -4.97 119.30 117.57 1d5i s MET 12 Ca 0.05 -1.31 -0.26 0.00 -1.71 0.00 0.00 55.69 52.47 1d5i s MET 12 Cb -0.13 -1.18 -0.10 0.00 2.01 0.00 0.00 34.83 35.43 1d5i s MET 12 CO -0.10 0.24 0.96 0.15 -0.01 0.00 0.00 175.02 176.26 1d5i s LYS 13 N -2.60 4.51 0.37 2.03 -0.14 -1.26 -0.88 119.74 121.76 1d5i s LYS 13 Ca 0.12 1.35 -0.28 0.00 -1.36 0.00 0.00 55.97 55.79 1d5i s LYS 13 Cb -0.06 -2.73 -0.11 0.00 -1.68 0.00 0.00 37.83 33.24 1d5i s LYS 13 CO 0.05 0.20 1.45 -2.30 -0.76 0.00 0.00 175.35 173.99 1d5i n PRO 14 N 0.41 2.57 0.00 -1.68 -0.02 -1.26 -1.62 135.00 133.40 1d5i n PRO 14 Ca 0.03 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1d5i n PRO 14 Cb 0.50 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1d5i n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d5i n GLY 15 N 0.54 3.38 3.90 -1.23 0.00 0.59 -4.92 105.19 107.46 1d5i n GLY 15 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1d5i n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d5i s ALA 16 N -2.85 2.43 0.09 4.61 0.00 -0.64 -4.11 121.76 121.29 1d5i s ALA 16 Ca 0.00 -0.86 0.10 0.00 0.00 0.00 0.00 51.96 51.20 1d5i s ALA 16 Cb 0.00 -2.89 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 1d5i s ALA 16 CO 0.00 -2.02 -0.26 -1.12 0.00 0.00 0.00 175.76 172.37 1d5i s SER 17 N -4.67 3.10 0.05 0.00 0.01 -1.26 -2.10 113.70 108.83 1d5i s SER 17 Ca 0.67 -0.67 0.04 0.00 1.31 0.00 0.00 55.95 57.31 1d5i s SER 17 Cb -0.08 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.89 1d5i s SER 17 CO 0.51 0.19 -0.13 0.54 0.41 0.00 0.00 173.24 174.76 1d5i s VAL 18 N -0.96 0.98 -0.19 3.43 0.11 0.02 -4.97 120.40 118.82 1d5i s VAL 18 Ca 0.12 -1.13 0.00 0.00 -2.93 0.00 0.00 61.98 58.04 1d5i s VAL 18 Cb -0.10 -0.94 0.04 0.00 -1.53 0.00 0.00 36.38 33.85 1d5i s VAL 18 CO 0.04 -0.17 -0.08 -0.75 -3.33 0.00 0.00 175.10 170.81 1d5i s LYS 19 N -1.46 1.80 0.12 1.54 2.20 -1.26 -0.82 119.74 121.86 1d5i s LYS 19 Ca -0.02 -0.75 0.03 0.00 -0.36 0.00 0.00 55.97 54.87 1d5i s LYS 19 Cb -0.09 -2.30 -0.04 0.00 -1.51 0.00 0.00 37.83 33.89 1d5i s LYS 19 CO 0.02 -0.44 0.17 0.96 -0.36 0.00 0.00 175.35 175.69 1d5i s ILE 20 N 1.48 4.85 0.40 5.43 -4.36 -0.36 -4.93 121.20 123.69 1d5i s ILE 20 Ca -0.01 -0.79 0.08 0.00 -0.26 0.00 0.00 60.65 59.66 1d5i s ILE 20 Cb -0.16 -3.43 -0.07 0.00 1.25 0.00 0.00 42.46 40.05 1d5i s ILE 20 CO -0.08 -0.00 0.03 -0.94 0.24 0.00 0.00 174.94 174.19 1d5i s SER 21 N -2.85 4.01 -0.24 4.36 1.04 -1.26 -1.32 113.70 117.44 1d5i s SER 21 Ca 0.32 -1.25 -0.04 0.00 0.48 0.00 0.00 55.95 55.46 1d5i s SER 21 Cb -0.11 -0.42 0.13 0.00 0.10 0.00 0.00 66.02 65.71 1d5i s SER 21 CO 0.25 -0.42 0.43 0.00 0.98 0.00 0.00 173.24 174.48 1d5i s LYS 23 N 2.62 3.18 -0.07 0.00 2.20 0.12 -0.91 119.74 126.88 1d5i s LYS 23 Ca 0.08 -0.86 -0.18 0.00 -0.36 0.00 0.00 55.97 54.66 1d5i s LYS 23 Cb -0.14 -3.85 -0.05 0.00 -1.51 0.00 0.00 37.83 32.28 1d5i s LYS 23 CO -0.15 -0.60 0.48 0.00 -0.36 0.00 0.00 175.35 174.72 1d5i s ALA 24 N 1.67 3.53 0.08 3.13 0.00 -0.66 -1.74 121.76 127.77 1d5i s ALA 24 Ca 0.05 -0.16 0.03 0.00 0.00 0.00 0.00 51.96 51.88 1d5i s ALA 24 Cb -0.18 -2.60 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 1d5i s ALA 24 CO 0.09 0.14 -0.09 0.95 0.00 0.00 0.00 175.76 176.86 1d5i s THR 25 N 0.09 0.77 0.00 0.00 -4.23 -0.60 -4.86 115.64 106.82 1d5i s THR 25 Ca 0.26 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1d5i s THR 25 Cb -0.16 -1.19 0.00 0.00 1.34 0.00 0.00 72.50 72.49 1d5i s THR 25 CO 0.12 -0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 1d5i n GLY 26 N 0.74 0.69 3.65 3.99 0.00 -1.26 -1.22 105.19 111.79 1d5i n GLY 26 Ca -0.18 -0.66 -0.02 0.00 0.00 0.00 0.00 46.02 45.17 1d5i n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1d5i s TYR 27 N -2.00 -0.11 -1.07 1.61 1.13 -1.26 -4.73 117.35 110.92 1d5i s TYR 27 Ca 0.00 -0.06 -0.19 0.00 -1.41 0.00 0.00 57.07 55.41 1d5i s TYR 27 Cb 0.00 0.58 0.11 0.00 -1.10 0.00 0.00 41.96 41.55 1d5i s TYR 27 CO 0.00 -0.48 1.38 0.95 -2.51 0.00 0.00 175.55 174.88 1d5i s THR 28 N -2.78 4.50 0.12 -3.49 -4.23 -1.26 -4.89 115.64 103.60 1d5i s THR 28 Ca 0.12 -1.67 0.05 0.00 -1.18 0.00 0.00 61.69 59.01 1d5i s THR 28 Cb 0.02 -4.95 0.12 0.00 1.34 0.00 0.00 72.50 69.03 1d5i s THR 28 CO -0.02 -1.72 0.52 0.33 -0.54 0.00 0.00 174.62 173.18 1d5i n PHE 29 N 7.22 0.32 0.26 3.99 7.35 -1.26 -1.94 117.46 133.40 1d5i n PHE 29 Ca 0.33 0.39 0.14 0.00 -0.76 0.00 0.00 57.45 57.56 1d5i n PHE 29 Cb 0.48 -0.82 0.67 0.00 0.35 0.00 0.00 39.48 40.16 1d5i n PHE 29 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1d5i h SER 30 N 0.00 0.00 0.35 -2.13 0.87 -1.90 -3.21 113.55 107.52 1d5i h SER 30 Ca 0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1d5i h SER 30 Cb 0.62 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1d5i h SER 30 CO -0.28 0.11 -0.92 -1.20 -0.53 0.00 0.00 176.83 174.01 1d5i n SER 31 N -3.34 0.66 -4.77 6.23 7.64 -0.82 -4.39 113.62 114.83 1d5i n SER 31 Ca -0.01 -0.38 -0.34 0.00 1.01 0.00 0.00 58.87 59.15 1d5i n SER 31 Cb 0.31 0.74 -0.07 0.00 -1.01 0.00 0.00 64.21 64.17 1d5i n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1d5i s TYR 32 N -3.12 3.31 0.29 1.43 1.51 -1.21 -4.15 117.35 115.41 1d5i s TYR 32 Ca 0.06 0.26 -0.28 0.00 -1.01 0.00 0.00 57.07 56.10 1d5i s TYR 32 Cb 0.15 -1.78 -0.09 0.00 -0.11 0.00 0.00 41.96 40.13 1d5i s TYR 32 CO 0.79 0.56 0.96 -1.58 -1.11 0.00 0.00 175.55 175.18 1d5i s TRP 33 N -1.09 3.78 -0.23 2.71 0.52 -0.48 -3.95 118.94 120.19 1d5i s TRP 33 Ca 0.19 1.82 -0.08 0.00 0.02 0.00 0.00 56.10 58.06 1d5i s TRP 33 Cb -0.12 -2.98 -0.04 0.00 -1.15 0.00 0.00 33.47 29.18 1d5i s TRP 33 CO 0.10 0.21 0.08 0.42 0.02 0.00 0.00 176.95 177.78 1d5i s ILE 34 N -1.42 4.62 0.03 2.03 -1.09 0.56 -1.27 121.20 124.66 1d5i s ILE 34 Ca 0.47 -0.08 -0.04 0.00 -2.23 0.00 0.00 60.65 58.77 1d5i s ILE 34 Cb -0.23 -3.14 -0.04 0.00 -1.58 0.00 0.00 42.46 37.47 1d5i s ILE 34 CO 0.28 0.37 0.24 -1.61 -1.23 0.00 0.00 174.94 172.99 1d5i s GLU 35 N 1.20 3.51 -0.07 2.79 0.41 0.82 -1.93 118.70 125.43 1d5i s GLU 35 Ca 0.05 -0.22 0.05 0.00 -0.41 0.00 0.00 54.97 54.43 1d5i s GLU 35 Cb -0.14 -3.05 -0.00 0.00 -1.78 0.00 0.00 34.13 29.15 1d5i s GLU 35 CO 0.04 0.63 -0.22 -1.58 -0.49 0.00 0.00 175.26 173.64 1d5i s TRP 36 N -1.39 2.28 0.02 1.61 0.52 -0.22 0.13 118.94 121.88 1d5i s TRP 36 Ca 0.30 -0.80 0.03 0.00 0.02 0.00 0.00 56.10 55.65 1d5i s TRP 36 Cb -0.13 -1.52 -0.01 0.00 -1.15 0.00 0.00 33.47 30.66 1d5i s TRP 36 CO 0.20 -0.29 -0.08 0.08 0.02 0.00 0.00 176.95 176.87 1d5i s VAL 37 N 0.14 0.63 -0.15 4.03 1.01 0.01 -1.28 120.40 124.79 1d5i s VAL 37 Ca -0.11 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 1d5i s VAL 37 Cb -0.15 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 1d5i s VAL 37 CO 0.06 -0.02 -0.04 -0.75 0.00 0.00 0.00 175.10 174.34 1d5i s LYS 38 N -0.72 3.61 -0.28 2.72 2.20 0.56 -0.90 119.74 126.93 1d5i s LYS 38 Ca -0.01 -0.52 -0.00 0.00 -0.36 0.00 0.00 55.97 55.07 1d5i s LYS 38 Cb -0.05 -2.89 0.09 0.00 -1.51 0.00 0.00 37.83 33.46 1d5i s LYS 38 CO 0.00 0.27 0.06 -1.14 -0.36 0.00 0.00 175.35 174.19 1d5i s GLN 39 N 0.27 0.89 0.15 4.03 0.74 0.35 -1.11 119.66 125.00 1d5i s GLN 39 Ca -0.03 -1.03 0.08 0.00 0.05 0.00 0.00 55.36 54.43 1d5i s GLN 39 Cb -0.14 -2.20 -0.04 0.00 1.10 0.00 0.00 33.01 31.73 1d5i s GLN 39 CO 0.03 -0.88 -0.08 -0.98 -0.55 0.00 0.00 175.29 172.83 1d5i s ARG 40 N 1.56 2.14 0.31 1.67 1.70 -1.25 -1.14 118.95 123.94 1d5i s ARG 40 Ca 0.06 -1.16 -0.28 0.00 -0.47 0.00 0.00 55.73 53.88 1d5i s ARG 40 Cb -0.18 -2.24 -0.13 0.00 -0.57 0.00 0.00 34.95 31.83 1d5i s ARG 40 CO -0.18 0.46 1.21 -2.30 -1.08 0.00 0.00 175.30 173.41 1d5i n PRO 41 N 0.24 1.86 -1.02 3.89 -0.02 -1.26 -2.00 135.00 136.69 1d5i n PRO 41 Ca -0.11 0.65 -0.01 0.00 -2.02 0.00 0.00 63.50 62.01 1d5i n PRO 41 Cb 0.54 -2.17 -0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1d5i n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d5i n GLY 42 N 1.07 0.34 1.76 -1.23 0.00 -1.26 -4.86 105.19 101.01 1d5i n GLY 42 Ca 0.07 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 46.08 1d5i n GLY 42 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1d5i n HIS 43 N -2.59 0.28 -0.31 1.61 8.25 -0.85 -5.12 115.22 116.49 1d5i n HIS 43 Ca -0.01 -0.88 0.00 0.00 -0.26 0.00 0.00 57.72 56.57 1d5i n HIS 43 Cb 0.21 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.15 1d5i n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1d5i n GLY 44 N 0.22 1.20 3.68 -1.41 0.00 -1.26 -4.56 105.19 103.05 1d5i n GLY 44 Ca 0.07 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 1d5i n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d5i s LEU 45 N 0.00 3.40 -0.01 0.99 1.43 -1.26 -3.91 118.68 119.33 1d5i s LEU 45 Ca 0.00 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 1d5i s LEU 45 Cb 0.00 -2.12 -0.00 0.00 0.03 0.00 0.00 46.19 44.10 1d5i s LEU 45 CO 0.00 0.15 -0.06 -1.61 0.23 0.00 0.00 176.35 175.06 1d5i s GLU 46 N -2.48 0.53 -0.24 1.70 2.02 -0.26 -4.97 118.70 114.99 1d5i s GLU 46 Ca 0.26 -0.23 -0.20 0.00 0.02 0.00 0.00 54.97 54.82 1d5i s GLU 46 Cb -0.11 -0.51 -0.02 0.00 0.10 0.00 0.00 34.13 33.58 1d5i s GLU 46 CO 0.18 0.13 0.60 -0.46 0.02 0.00 0.00 175.26 175.74 1d5i s TRP 47 N -0.13 3.30 -0.15 1.61 -0.00 -1.26 -0.32 118.94 121.99 1d5i s TRP 47 Ca 0.02 0.80 -0.22 0.00 -0.00 0.00 0.00 56.10 56.70 1d5i s TRP 47 Cb -0.03 -2.80 -0.24 0.00 -0.00 0.00 0.00 33.47 30.40 1d5i s TRP 47 CO -0.00 -0.28 0.51 0.82 -0.00 0.00 0.00 176.95 177.99 1d5i h ILE 48 N 5.36 1.23 0.00 5.86 2.04 -1.55 -3.43 117.51 127.02 1d5i h ILE 48 Ca -0.28 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 63.27 1d5i h ILE 48 Cb 1.13 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.97 1d5i h ILE 48 CO 0.76 0.54 0.00 0.61 0.00 0.00 0.00 178.15 180.06 1d5i n GLY 49 N 1.59 -1.58 3.18 5.37 0.00 -1.20 -1.50 105.19 111.05 1d5i n GLY 49 Ca -0.23 -1.17 -0.11 0.00 0.00 0.00 0.00 46.02 44.51 1d5i n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1d5i s GLU 50 N -1.68 0.65 0.03 1.61 -1.05 -0.72 -1.06 118.70 116.50 1d5i s GLU 50 Ca 0.00 -0.49 0.03 0.00 -0.15 0.00 0.00 54.97 54.36 1d5i s GLU 50 Cb 0.00 0.28 -0.02 0.00 -0.44 0.00 0.00 34.13 33.95 1d5i s GLU 50 CO 0.00 -0.18 -0.09 -1.50 0.95 0.00 0.00 175.26 174.44 1d5i s ILE 51 N -2.07 0.65 -0.24 1.83 2.07 -0.81 -1.04 121.20 121.58 1d5i s ILE 51 Ca -0.09 -0.90 -0.07 0.00 -1.41 0.00 0.00 60.65 58.18 1d5i s ILE 51 Cb -0.03 -0.65 -0.03 0.00 0.13 0.00 0.00 42.46 41.88 1d5i s ILE 51 CO -0.01 -0.20 0.06 -0.22 -1.91 0.00 0.00 174.94 172.66 1d5i s LEU 52 N -1.21 3.40 0.22 8.50 2.96 0.59 -0.33 118.68 132.81 1d5i s LEU 52 Ca -0.05 -0.21 -0.30 0.00 -0.22 0.00 0.00 54.13 53.35 1d5i s LEU 52 Cb -0.08 -1.91 -0.09 0.00 0.50 0.00 0.00 46.19 44.62 1d5i s LEU 52 CO 0.01 -0.02 1.24 -2.84 -1.32 0.00 0.00 176.35 173.42 1d5i s PRO 52 N 1.53 4.45 0.00 0.98 0.02 -1.25 -1.33 135.00 139.41 1d5i s PRO 52 Ca 0.06 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.05 1d5i s PRO 52 Cb -0.15 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.17 1d5i s PRO 52 CO 0.03 -0.13 0.00 0.41 -0.33 0.00 0.00 177.00 176.98 1d5i n GLY 53 N 2.01 2.10 0.27 0.52 0.00 -1.26 -4.35 105.19 104.48 1d5i n GLY 53 Ca 0.04 -0.72 0.14 0.00 0.00 0.00 0.00 46.02 45.48 1d5i n GLY 53 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1d5i h SER 54 N 0.00 0.00 -0.33 1.61 4.64 -1.89 -3.47 113.55 114.11 1d5i h SER 54 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1d5i h SER 54 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 1d5i h SER 54 CO 0.00 0.10 -0.13 0.61 -0.87 0.00 0.00 176.83 176.54 1d5i n GLY 55 N -0.54 0.85 3.75 -0.77 0.00 -0.44 -4.97 105.19 103.07 1d5i n GLY 55 Ca -0.01 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 1d5i n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1d5i s SER 56 N -2.51 5.38 0.05 1.61 0.01 -1.24 -4.67 113.70 112.33 1d5i s SER 56 Ca 0.00 2.65 -0.01 0.00 1.31 0.00 0.00 55.95 59.90 1d5i s SER 56 Cb 0.00 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 1d5i s SER 56 CO 0.00 -1.48 -0.02 0.42 0.41 0.00 0.00 173.24 172.56 1d5i s THR 57 N -1.37 0.21 -0.04 1.44 -4.23 -1.26 -0.30 115.64 110.09 1d5i s THR 57 Ca 0.71 -1.74 -0.01 0.00 -1.18 0.00 0.00 61.69 59.46 1d5i s THR 57 Cb -0.37 -1.45 0.03 0.00 1.34 0.00 0.00 72.50 72.05 1d5i s THR 57 CO 0.44 -0.96 0.05 0.20 -0.54 0.00 0.00 174.62 173.80 1d5i s ASN 58 N -2.84 0.91 -0.06 3.99 0.01 -0.20 -5.00 114.94 111.75 1d5i s ASN 58 Ca 0.06 0.06 0.02 0.00 -0.71 0.00 0.00 52.86 52.29 1d5i s ASN 58 Cb 0.07 -0.14 -0.03 0.00 0.41 0.00 0.00 41.25 41.56 1d5i s ASN 58 CO -0.10 -0.22 -0.11 -0.31 -1.51 0.00 0.00 177.10 174.86 1d5i s TYR 59 N 1.90 2.81 0.04 2.20 2.02 -1.26 -1.75 117.35 123.30 1d5i s TYR 59 Ca 0.02 -0.12 -0.30 0.00 -0.37 0.00 0.00 57.07 56.29 1d5i s TYR 59 Cb -0.12 -1.68 -0.05 0.00 -0.40 0.00 0.00 41.96 39.70 1d5i s TYR 59 CO -0.03 0.21 1.25 1.21 -1.57 0.00 0.00 175.55 176.62 1d5i s ASN 60 N -0.66 7.01 0.46 2.29 3.84 -0.56 -4.88 114.94 122.43 1d5i s ASN 60 Ca 0.10 2.02 0.26 0.00 0.21 0.00 0.00 52.86 55.45 1d5i s ASN 60 Cb -0.11 -2.57 1.29 0.00 -0.55 0.00 0.00 41.25 39.31 1d5i s ASN 60 CO 0.01 -0.55 1.78 -0.08 -2.79 0.00 0.00 177.10 175.48 1d5i h GLU 61 N 7.08 0.22 -0.14 0.43 4.57 -1.95 0.25 114.58 125.03 1d5i h GLU 61 Ca -0.40 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 57.81 1d5i h GLU 61 Cb 1.20 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 1d5i h GLU 61 CO 0.84 0.14 0.13 -0.22 -1.18 0.00 0.00 179.01 178.73 1d5i h LYS 62 N 0.22 0.00 -0.04 1.92 3.64 -1.95 -3.09 116.57 117.28 1d5i h LYS 62 Ca 0.58 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 1d5i h LYS 62 Cb 1.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.64 1d5i h LYS 62 CO -0.19 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.18 1d5i n PHE 63 N -4.08 0.06 -0.25 1.91 3.01 0.85 -4.86 117.46 114.09 1d5i n PHE 63 Ca 0.00 -0.19 -0.12 0.00 1.01 0.00 0.00 57.45 58.15 1d5i n PHE 63 Cb 0.25 -0.02 -0.09 0.00 -0.01 0.00 0.00 39.48 39.60 1d5i n PHE 63 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1d5i h LYS 64 N 0.66 -0.20 0.00 -1.08 1.79 -1.40 0.19 116.57 116.52 1d5i h LYS 64 Ca 0.00 0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.40 1d5i h LYS 64 Cb 0.31 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 1d5i h LYS 64 CO 0.00 -0.14 -0.39 0.78 -1.08 0.00 0.00 179.45 178.62 1d5i h GLY 65 N -0.21 0.00 1.54 3.86 0.00 -1.89 -3.32 103.07 103.05 1d5i h GLY 65 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.16 1d5i h GLY 65 CO -0.71 0.00 -1.31 0.50 0.00 0.00 0.00 176.54 175.01 1d5i h LYS 66 N 0.00 0.24 -6.28 4.80 1.57 -1.54 -3.46 116.57 111.90 1d5i h LYS 66 Ca -0.00 -0.41 -0.67 0.00 -1.87 0.00 0.00 60.65 57.69 1d5i h LYS 66 Cb 0.94 0.15 -0.17 0.00 0.08 0.00 0.00 32.23 33.23 1d5i h LYS 66 CO 0.05 1.16 -0.70 0.00 -0.57 0.00 0.00 179.45 179.39 1d5i s ALA 67 N -2.65 3.04 -0.04 3.86 0.00 0.53 -4.27 121.76 122.24 1d5i s ALA 67 Ca -0.05 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 1d5i s ALA 67 Cb 0.07 -1.15 0.03 0.00 0.00 0.00 0.00 23.12 22.07 1d5i s ALA 67 CO 0.87 0.62 0.03 0.99 0.00 0.00 0.00 175.76 178.27 1d5i s THR 68 N -1.01 0.07 0.13 0.00 2.01 -0.75 -4.74 115.64 111.36 1d5i s THR 68 Ca 0.17 0.27 0.02 0.00 0.31 0.00 0.00 61.69 62.47 1d5i s THR 68 Cb -0.11 -0.27 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 1d5i s THR 68 CO 0.08 0.19 0.23 -0.36 -0.69 0.00 0.00 174.62 174.06 1d5i s PHE 69 N 1.82 3.41 0.15 4.92 0.08 -1.26 -1.26 117.98 125.84 1d5i s PHE 69 Ca 0.01 0.12 -0.15 0.00 0.12 0.00 0.00 56.93 57.04 1d5i s PHE 69 Cb -0.12 -1.66 0.02 0.00 -0.57 0.00 0.00 43.02 40.69 1d5i s PHE 69 CO -0.03 0.53 0.40 0.95 -0.10 0.00 0.00 175.22 176.97 1d5i s THR 70 N -1.66 0.06 -0.08 0.64 -4.23 -0.94 -4.99 115.64 104.44 1d5i s THR 70 Ca 0.34 -0.82 -0.07 0.00 -1.18 0.00 0.00 61.69 59.95 1d5i s THR 70 Cb -0.11 -1.41 0.03 0.00 1.34 0.00 0.00 72.50 72.34 1d5i s THR 70 CO 0.27 -0.29 0.22 0.00 -0.54 0.00 0.00 174.62 174.28 1d5i s ALA 71 N -3.86 -0.52 -0.36 3.99 0.00 -1.26 -0.27 121.76 119.48 1d5i s ALA 71 Ca 0.07 0.67 -0.13 0.00 0.00 0.00 0.00 51.96 52.57 1d5i s ALA 71 Cb 0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 1d5i s ALA 71 CO -0.07 -0.12 0.25 0.34 0.00 0.00 0.00 175.76 176.16 1d5i s ASP 72 N 0.34 6.04 0.13 0.00 -1.08 0.40 -4.87 116.67 117.63 1d5i s ASP 72 Ca -0.02 -0.58 -0.17 0.00 -0.52 0.00 0.00 52.55 51.27 1d5i s ASP 72 Cb -0.03 -2.14 -0.02 0.00 -1.46 0.00 0.00 42.92 39.27 1d5i s ASP 72 CO -0.01 -0.30 1.70 0.71 0.52 0.00 0.00 175.17 177.78 1d5i h THR 73 N 5.55 1.17 0.05 1.71 1.35 -1.97 -2.28 112.91 118.49 1d5i h THR 73 Ca -0.30 -0.50 -0.00 0.00 -0.55 0.00 0.00 66.41 65.06 1d5i h THR 73 Cb 1.14 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1d5i h THR 73 CO 0.66 0.18 -0.03 0.77 -0.25 0.00 0.00 175.52 176.86 1d5i h SER 74 N 0.43 -0.06 0.00 5.36 4.64 -1.96 -2.78 113.55 119.19 1d5i h SER 74 Ca 0.12 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1d5i h SER 74 Cb 0.14 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1d5i h SER 74 CO -0.01 0.17 0.00 -1.54 -0.87 0.00 0.00 176.83 174.58 1d5i n SER 75 N -5.02 0.00 -3.61 4.97 3.41 -1.24 -4.90 113.62 107.23 1d5i n SER 75 Ca -0.08 -1.00 -0.26 0.00 -0.26 0.00 0.00 58.87 57.27 1d5i n SER 75 Cb 0.15 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.15 1d5i n SER 75 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1d5i n ASN 76 N -0.96 -5.64 -4.21 4.04 5.03 -0.91 -4.85 115.26 107.75 1d5i n ASN 76 Ca 0.21 -0.58 -0.25 0.00 0.87 0.00 0.00 54.58 54.83 1d5i n ASN 76 Cb 0.10 -4.49 -0.15 0.00 -1.02 0.00 0.00 39.78 34.22 1d5i n ASN 76 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1d5i s THR 77 N -3.27 1.53 0.19 3.41 2.01 -0.91 -1.65 115.64 116.95 1d5i s THR 77 Ca 0.56 -1.01 0.11 0.00 0.31 0.00 0.00 61.69 61.67 1d5i s THR 77 Cb -0.27 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 1d5i s THR 77 CO 0.70 0.28 -0.23 0.00 -0.69 0.00 0.00 174.62 174.68 1d5i s ALA 78 N -0.65 2.42 0.04 7.40 0.00 -0.09 0.15 121.76 131.04 1d5i s ALA 78 Ca 0.07 -1.61 0.02 0.00 0.00 0.00 0.00 51.96 50.43 1d5i s ALA 78 Cb -0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1d5i s ALA 78 CO 0.01 0.38 -0.07 0.71 0.00 0.00 0.00 175.76 176.79 1d5i s TYR 79 N -1.77 0.65 -0.08 0.00 2.02 0.63 -1.15 117.35 117.65 1d5i s TYR 79 Ca 0.20 -0.52 0.01 0.00 -0.37 0.00 0.00 57.07 56.39 1d5i s TYR 79 Cb -0.07 -0.39 0.02 0.00 -0.40 0.00 0.00 41.96 41.11 1d5i s TYR 79 CO 0.09 -0.09 -0.10 1.41 -1.57 0.00 0.00 175.55 175.29 1d5i s MET 80 N -1.66 1.53 -0.18 -0.62 -2.45 -0.44 -2.22 119.30 113.27 1d5i s MET 80 Ca -0.10 -0.31 -0.07 0.00 -1.25 0.00 0.00 55.69 53.96 1d5i s MET 80 Cb -0.09 -1.41 -0.04 0.00 1.25 0.00 0.00 34.83 34.54 1d5i s MET 80 CO 0.00 -0.10 0.04 -1.14 1.05 0.00 0.00 175.02 174.87 1d5i s GLN 81 N 1.10 3.90 0.33 4.11 0.74 -0.39 -1.23 119.66 128.23 1d5i s GLN 81 Ca -0.07 -0.38 0.08 0.00 0.05 0.00 0.00 55.36 55.04 1d5i s GLN 81 Cb -0.14 -3.15 -0.04 0.00 1.10 0.00 0.00 33.01 30.78 1d5i s GLN 81 CO -0.01 0.26 0.16 -0.51 -0.55 0.00 0.00 175.29 174.64 1d5i s LEU 82 N 0.39 3.35 0.00 3.68 1.43 0.00 -1.80 118.68 125.73 1d5i s LEU 82 Ca 0.02 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 1d5i s LEU 82 Cb -0.13 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.24 1d5i s LEU 82 CO 0.01 -0.28 0.00 -1.20 0.23 0.00 0.00 176.35 175.11 1d5i n SER 82 N -1.18 0.00 -4.50 2.29 7.64 -1.19 -0.80 113.62 115.87 1d5i n SER 82 Ca -0.03 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.42 1d5i n SER 82 Cb 0.61 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1d5i n SER 82 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1d5i n LEU 82 N -0.45 0.69 -4.25 -3.43 4.77 -0.89 -4.53 117.00 108.91 1d5i n LEU 82 Ca 0.00 1.01 -0.16 0.00 -0.03 0.00 0.00 56.01 56.83 1d5i n LEU 82 Cb 0.00 -1.18 -0.09 0.00 -2.33 0.00 0.00 43.42 39.82 1d5i n LEU 82 CO 0.00 -2.35 -0.18 0.42 -1.33 0.00 0.00 177.39 173.95 1d5i s THR 83 N -1.31 0.05 0.40 -5.08 -4.23 -1.26 -0.30 115.64 103.92 1d5i s THR 83 Ca 0.62 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.39 1d5i s THR 83 Cb -0.65 -2.50 0.28 0.00 1.34 0.00 0.00 72.50 70.97 1d5i s THR 83 CO 0.58 0.00 2.05 0.77 -0.54 0.00 0.00 174.62 177.48 1d5i h SER 84 N 2.37 0.00 0.22 3.99 4.64 -1.96 0.13 113.55 122.93 1d5i h SER 84 Ca -0.31 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1d5i h SER 84 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1d5i h SER 84 CO 0.47 0.14 -0.02 -0.08 -0.87 0.00 0.00 176.83 176.46 1d5i h GLU 85 N 0.00 0.00 -0.02 4.77 4.57 -1.96 -1.68 114.58 120.26 1d5i h GLU 85 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1d5i h GLU 85 Cb 0.36 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1d5i h GLU 85 CO 0.02 0.02 -0.05 -0.25 -1.18 0.00 0.00 179.01 177.56 1d5i n ASP 86 N -3.27 1.66 -4.69 1.04 8.00 0.45 -4.86 116.55 114.88 1d5i n ASP 86 Ca -0.02 -1.48 -0.42 0.00 0.71 0.00 0.00 54.79 53.58 1d5i n ASP 86 Cb 0.13 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1d5i n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1d5i s SER 87 N -2.09 6.95 -0.05 -2.24 0.01 -0.64 -4.87 113.70 110.78 1d5i s SER 87 Ca 0.34 1.98 -0.31 0.00 1.31 0.00 0.00 55.95 59.27 1d5i s SER 87 Cb 0.21 -2.56 0.13 0.00 0.21 0.00 0.00 66.02 64.00 1d5i s SER 87 CO 0.36 -0.64 1.34 0.00 0.41 0.00 0.00 173.24 174.72 1d5i s ALA 88 N 2.19 -2.38 -0.18 1.44 0.00 -0.75 -4.77 121.76 117.29 1d5i s ALA 88 Ca 0.60 0.69 -0.11 0.00 0.00 0.00 0.00 51.96 53.13 1d5i s ALA 88 Cb -0.28 0.40 -0.05 0.00 0.00 0.00 0.00 23.12 23.19 1d5i s ALA 88 CO 0.25 -1.07 0.18 0.08 0.00 0.00 0.00 175.76 175.19 1d5i s VAL 89 N -2.22 5.38 -0.11 0.00 1.01 -0.29 -0.75 120.40 123.41 1d5i s VAL 89 Ca 0.17 0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 1d5i s VAL 89 Cb 0.05 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 1d5i s VAL 89 CO -0.04 0.43 -0.03 -0.31 0.00 0.00 0.00 175.10 175.15 1d5i s TYR 90 N 0.31 3.04 0.09 5.22 2.02 -0.26 -0.49 117.35 127.29 1d5i s TYR 90 Ca 0.11 -0.07 0.10 0.00 -0.37 0.00 0.00 57.07 56.84 1d5i s TYR 90 Cb -0.12 -1.85 -0.03 0.00 -0.40 0.00 0.00 41.96 39.56 1d5i s TYR 90 CO 0.00 0.21 -0.26 0.71 -1.57 0.00 0.00 175.55 174.64 1d5i s TYR 91 N -0.29 2.26 0.13 2.71 2.02 -0.08 -0.59 117.35 123.52 1d5i s TYR 91 Ca 0.05 -0.39 0.08 0.00 -0.37 0.00 0.00 57.07 56.43 1d5i s TYR 91 Cb -0.12 -1.28 -0.04 0.00 -0.40 0.00 0.00 41.96 40.11 1d5i s TYR 91 CO 0.02 0.24 -0.09 0.00 -1.57 0.00 0.00 175.55 174.15 1d5i s ALA 93 N -1.40 -1.08 -0.48 0.00 0.00 0.34 -0.21 121.76 118.94 1d5i s ALA 93 Ca 0.23 0.98 -0.24 0.00 0.00 0.00 0.00 51.96 52.93 1d5i s ALA 93 Cb -0.10 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.65 1d5i s ALA 93 CO 0.14 -0.24 0.85 0.50 0.00 0.00 0.00 175.76 177.01 1d5i s ARG 94 N -0.41 3.41 0.00 0.00 3.52 -0.57 0.29 118.95 125.18 1d5i s ARG 94 Ca -0.05 -0.10 0.00 0.00 -0.13 0.00 0.00 55.73 55.44 1d5i s ARG 94 Cb -0.03 -3.97 0.00 0.00 -1.56 0.00 0.00 34.95 29.39 1d5i s ARG 94 CO 0.03 -1.24 0.00 0.41 -0.81 0.00 0.00 175.30 173.69 1d5i n GLY 95 N 5.01 0.63 3.94 8.12 0.00 -0.39 -3.54 105.19 118.96 1d5i n GLY 95 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 1d5i n GLY 95 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1d5i s HIS 96 N 1.61 3.48 0.21 1.61 -3.43 -1.26 -4.77 115.29 112.74 1d5i s HIS 96 Ca 0.00 0.25 0.11 0.00 -0.80 0.00 0.00 55.06 54.62 1d5i s HIS 96 Cb 0.00 -1.79 -0.05 0.00 -1.43 0.00 0.00 32.58 29.32 1d5i s HIS 96 CO 0.00 0.34 -0.22 -1.54 -2.00 0.00 0.00 174.74 171.31 1d5i s SER 97 N -3.57 3.41 -0.27 7.38 1.04 -1.21 -1.38 113.70 119.10 1d5i s SER 97 Ca 0.38 -0.91 -0.24 0.00 0.48 0.00 0.00 55.95 55.65 1d5i s SER 97 Cb -0.10 -0.26 -0.10 0.00 0.10 0.00 0.00 66.02 65.66 1d5i s SER 97 CO 0.31 0.09 1.06 0.00 0.98 0.00 0.00 173.24 175.67 1d5i n TYR 98 N 0.03 0.74 -2.88 5.02 -0.00 -1.26 -2.50 117.16 116.31 1d5i n TYR 98 Ca -0.11 0.49 -0.11 0.00 -0.00 0.00 0.00 57.90 58.17 1d5i n TYR 98 Cb 0.57 -1.23 0.01 0.00 -0.00 0.00 0.00 39.34 38.69 1d5i n TYR 98 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 176.86 179.34 1d5i n TYR 99 N 3.41 -0.74 0.00 -3.48 0.18 -1.26 -5.01 117.16 110.26 1d5i n TYR 99 Ca 0.25 0.31 0.00 0.00 1.88 0.00 0.00 57.90 60.34 1d5i n TYR 99 Cb -0.03 -1.05 0.00 0.00 -0.38 0.00 0.00 39.34 37.89 1d5i n TYR 99 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1d5i n PHE 100 N 0.73 0.00 0.00 -3.48 -0.00 -1.04 -5.16 117.46 108.51 1d5i n PHE 100 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 1d5i n PHE 100 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.95 1d5i n PHE 100 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.76 177.74 1d5i n TYR 100 N -0.68 0.00 -1.43 -5.13 9.36 -1.26 -3.33 117.16 114.68 1d5i n TYR 100 Ca 0.00 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.06 1d5i n TYR 100 Cb 0.00 0.00 0.16 0.00 -0.63 0.00 0.00 39.34 38.87 1d5i n TYR 100 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1d5i n ASP 100 N 0.00 3.81 0.00 2.98 5.75 -1.26 -5.06 116.55 122.77 1d5i n ASP 100 Ca 0.00 -3.74 0.00 0.00 -0.01 0.00 0.00 54.79 51.04 1d5i n ASP 100 Cb 0.00 -0.72 0.00 0.00 -1.03 0.00 0.00 41.12 39.37 1d5i n ASP 100 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1d5i n GLY 100 N -1.07 1.36 3.87 6.12 0.00 -1.26 -5.10 105.19 109.11 1d5i n GLY 100 Ca 0.46 -2.14 -0.21 0.00 0.00 0.00 0.00 46.02 44.13 1d5i n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1d5i s ASP 101 N 0.00 5.17 -0.18 1.61 1.01 -1.26 -4.84 116.67 118.18 1d5i s ASP 101 Ca 0.00 -0.62 -0.01 0.00 0.71 0.00 0.00 52.55 52.63 1d5i s ASP 101 Cb 0.00 -0.77 0.05 0.00 1.01 0.00 0.00 42.92 43.22 1d5i s ASP 101 CO 0.00 -0.51 -0.01 -0.31 0.21 0.00 0.00 175.17 174.55 1d5i s TYR 102 N -2.39 1.46 -0.03 4.23 1.51 -1.23 -5.00 117.35 115.90 1d5i s TYR 102 Ca 0.45 -1.04 -0.15 0.00 -1.01 0.00 0.00 57.07 55.32 1d5i s TYR 102 Cb -0.05 -1.20 -0.05 0.00 -0.11 0.00 0.00 41.96 40.55 1d5i s TYR 102 CO 0.27 -0.62 0.39 -1.58 -1.11 0.00 0.00 175.55 172.90 1d5i s TRP 103 N 1.71 3.69 1.08 2.71 0.52 -1.26 -1.51 118.94 125.88 1d5i s TRP 103 Ca -0.01 0.94 -0.17 0.00 0.02 0.00 0.00 56.10 56.88 1d5i s TRP 103 Cb -0.17 -2.29 0.24 0.00 -1.15 0.00 0.00 33.47 30.10 1d5i s TRP 103 CO -0.07 0.59 1.19 0.20 0.02 0.00 0.00 176.95 178.87 1d5i s GLY 104 N -0.84 1.65 0.00 0.98 0.00 0.71 -4.67 107.32 105.14 1d5i s GLY 104 Ca 0.23 -0.98 0.31 0.00 0.00 0.00 0.00 44.72 44.29 1d5i s GLY 104 CO 0.12 -0.17 2.15 0.61 0.00 0.00 0.00 173.10 175.81 1d5i n GLN 105 N -4.29 0.91 0.00 2.90 0.00 -1.26 -4.77 117.38 110.87 1d5i n GLN 105 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 57.00 57.06 1d5i n GLN 105 Cb 0.59 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.34 1d5i n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1d5i n GLY 106 N 1.08 -0.15 2.94 2.61 0.00 -1.26 -5.03 105.19 105.38 1d5i n GLY 106 Ca 0.21 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.43 1d5i n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d5i s THR 107 N -2.95 1.02 -0.12 2.61 2.01 0.24 -4.85 115.64 113.61 1d5i s THR 107 Ca 0.00 -0.33 -0.24 0.00 0.31 0.00 0.00 61.69 61.42 1d5i s THR 107 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 1d5i s THR 107 CO 0.00 0.35 0.76 -0.55 -0.69 0.00 0.00 174.62 174.49 1d5i s SER 108 N 1.30 6.96 -0.15 3.53 0.15 -1.26 -1.10 113.70 123.13 1d5i s SER 108 Ca -0.03 1.16 0.01 0.00 0.70 0.00 0.00 55.95 57.79 1d5i s SER 108 Cb -0.14 -2.43 -0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1d5i s SER 108 CO -0.04 -0.26 -0.17 -0.69 1.20 0.00 0.00 173.24 173.28 1d5i s VAL 109 N 1.52 2.56 -0.08 4.45 1.01 0.07 -0.63 120.40 129.30 1d5i s VAL 109 Ca 0.38 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.59 1d5i s VAL 109 Cb -0.17 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 1d5i s VAL 109 CO 0.15 0.52 -0.23 -0.89 0.00 0.00 0.00 175.10 174.66 1d5i s THR 110 N 0.74 2.21 -0.21 3.92 2.01 -0.39 -1.82 115.64 122.11 1d5i s THR 110 Ca -0.07 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 60.94 1d5i s THR 110 Cb -0.16 -1.83 0.03 0.00 0.01 0.00 0.00 72.50 70.55 1d5i s THR 110 CO 0.01 0.56 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.67 1d5i s VAL 111 N 0.02 2.34 -0.00 3.82 1.01 -1.26 -0.61 120.40 125.71 1d5i s VAL 111 Ca -0.09 -1.05 -0.28 0.00 0.00 0.00 0.00 61.98 60.56 1d5i s VAL 111 Cb -0.15 -2.10 0.08 0.00 0.00 0.00 0.00 36.38 34.21 1d5i s VAL 111 CO 0.05 0.36 0.73 -0.55 0.00 0.00 0.00 175.10 175.70 1d5i s SER 112 N 1.28 -0.56 0.00 3.32 0.15 -0.06 -4.58 113.70 113.24 1d5i s SER 112 Ca 0.02 0.40 0.26 0.00 0.70 0.00 0.00 55.95 57.32 1d5i s SER 112 Cb -0.15 0.51 0.59 0.00 -1.71 0.00 0.00 66.02 65.25 1d5i s SER 112 CO -0.09 -0.67 1.46 -1.20 1.20 0.00 0.00 173.24 173.94 1d5i n SER 113 N 0.40 1.22 -4.77 5.45 7.64 -1.26 -4.20 113.62 118.09 1d5i n SER 113 Ca -0.16 -1.00 -0.36 0.00 1.01 0.00 0.00 58.87 58.35 1d5i n SER 113 Cb 0.60 0.22 0.01 0.00 -1.01 0.00 0.00 64.21 64.02 1d5i n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1d5i s ALA 114 N -2.51 2.78 0.17 -0.43 0.00 -1.26 -5.04 121.76 115.46 1d5i s ALA 114 Ca 0.23 0.95 -0.02 0.00 0.00 0.00 0.00 51.96 53.12 1d5i s ALA 114 Cb 0.19 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 1d5i s ALA 114 CO 0.54 -0.87 0.37 -1.12 0.00 0.00 0.00 175.76 174.68 1d5i s SER 115 N -1.51 6.41 0.33 0.00 0.01 -1.26 -5.02 113.70 112.66 1d5i s SER 115 Ca 0.70 0.44 -0.28 0.00 1.31 0.00 0.00 55.95 58.13 1d5i s SER 115 Cb -0.28 -2.03 -0.13 0.00 0.21 0.00 0.00 66.02 63.79 1d5i s SER 115 CO 0.33 0.00 1.17 0.41 0.41 0.00 0.00 173.24 175.57 1d5i n THR 116 N -0.36 2.03 -3.62 1.44 -1.04 -1.26 -4.69 114.28 106.78 1d5i n THR 116 Ca -0.04 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.05 61.43 1d5i n THR 116 Cb 0.53 -1.34 -0.06 0.00 -1.82 0.00 0.00 70.33 67.64 1d5i n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1d5i s LYS 117 N -1.77 0.56 0.53 -2.82 2.20 0.75 -4.93 119.74 114.26 1d5i s LYS 117 Ca 0.57 1.10 -0.18 0.00 -0.36 0.00 0.00 55.97 57.10 1d5i s LYS 117 Cb -0.62 0.32 -0.07 0.00 -1.51 0.00 0.00 37.83 35.95 1d5i s LYS 117 CO 0.61 -0.14 1.02 0.20 -0.36 0.00 0.00 175.35 176.68 1d5i s GLY 118 N 1.93 2.22 0.64 5.54 0.00 -1.26 -1.61 107.32 114.77 1d5i s GLY 118 Ca -0.08 0.37 -0.09 0.00 0.00 0.00 0.00 44.72 44.92 1d5i s GLY 118 CO -0.18 0.67 0.99 2.56 0.00 0.00 0.00 173.10 177.14 1d5i s PRO 119 N -3.80 2.99 -0.11 2.90 0.04 -1.26 -4.69 135.00 131.08 1d5i s PRO 119 Ca 0.63 0.28 -0.04 0.00 0.04 0.00 0.00 61.00 61.90 1d5i s PRO 119 Cb -0.13 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 1d5i s PRO 119 CO 0.29 -0.80 0.04 -1.12 0.04 0.00 0.00 177.00 175.45 1d5i s SER 120 N -4.30 5.56 -0.20 6.66 0.01 -0.29 -4.92 113.70 116.23 1d5i s SER 120 Ca 0.55 0.21 -0.02 0.00 1.31 0.00 0.00 55.95 58.01 1d5i s SER 120 Cb -0.11 -1.69 -0.00 0.00 0.21 0.00 0.00 66.02 64.43 1d5i s SER 120 CO 0.49 0.36 -0.10 -0.69 0.41 0.00 0.00 173.24 173.71 1d5i s VAL 121 N -0.74 2.95 0.10 3.43 1.01 -1.26 0.02 120.40 125.90 1d5i s VAL 121 Ca 0.12 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.53 1d5i s VAL 121 Cb -0.12 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1d5i s VAL 121 CO 0.02 0.47 -0.13 -0.36 0.00 0.00 0.00 175.10 175.10 1d5i s PHE 122 N 1.30 2.66 0.35 5.22 0.08 -0.04 -4.94 117.98 122.60 1d5i s PHE 122 Ca 0.04 -0.20 -0.19 0.00 0.12 0.00 0.00 56.93 56.70 1d5i s PHE 122 Cb -0.14 -1.42 -0.10 0.00 -0.57 0.00 0.00 43.02 40.80 1d5i s PHE 122 CO -0.05 0.39 0.83 -1.25 -0.10 0.00 0.00 175.22 175.05 1d5i s PRO 123 N -2.06 4.19 -0.72 0.24 0.04 -1.26 -0.12 135.00 135.32 1d5i s PRO 123 Ca 0.19 0.94 -0.04 0.00 0.04 0.00 0.00 61.00 62.13 1d5i s PRO 123 Cb -0.11 -2.46 0.18 0.00 0.04 0.00 0.00 34.50 32.16 1d5i s PRO 123 CO 0.11 0.14 0.57 -0.51 0.04 0.00 0.00 177.00 177.35 1d5i s LEU 124 N -2.78 5.51 0.14 -3.56 1.43 -0.26 -4.80 118.68 114.35 1d5i s LEU 124 Ca 0.55 -3.05 -0.31 0.00 -1.03 0.00 0.00 54.13 50.29 1d5i s LEU 124 Cb -0.12 -1.91 -0.08 0.00 0.03 0.00 0.00 46.19 44.11 1d5i s LEU 124 CO 0.17 -0.35 1.30 0.00 0.23 0.00 0.00 176.35 177.71 1d5i s ALA 125 N -0.35 3.51 0.57 4.21 0.00 -1.26 -2.33 121.76 126.11 1d5i s ALA 125 Ca 0.20 1.04 -0.20 0.00 0.00 0.00 0.00 51.96 53.00 1d5i s ALA 125 Cb -0.16 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.42 1d5i s ALA 125 CO -0.06 -0.53 1.10 -0.35 0.00 0.00 0.00 175.76 175.92 1d5i n PRO 126 N 3.38 1.17 -2.39 0.00 -0.04 -1.25 -4.60 135.00 131.27 1d5i n PRO 126 Ca 0.09 0.44 -0.01 0.00 -0.04 0.00 0.00 63.50 63.98 1d5i n PRO 126 Cb 0.43 -2.28 -0.00 0.00 -0.04 0.00 0.00 33.50 31.61 1d5i n PRO 126 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1d5i n SER 127 N -0.76 -3.69 0.00 3.54 7.64 -1.26 -4.17 113.62 114.92 1d5i n SER 127 Ca 0.13 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.20 1d5i n SER 127 Cb 0.46 -2.58 0.00 0.00 -1.01 0.00 0.00 64.21 61.08 1d5i n SER 127 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1d5i n SER 128 N 2.08 0.00 -2.01 6.43 7.64 -1.26 -3.66 113.62 122.85 1d5i n SER 128 Ca -0.04 0.53 -0.16 0.00 1.01 0.00 0.00 58.87 60.21 1d5i n SER 128 Cb 0.06 -0.03 0.04 0.00 -1.01 0.00 0.00 64.21 63.28 1d5i n SER 128 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1d5i n LYS 129 N -1.10 3.02 -4.24 1.43 4.76 -1.26 -4.87 118.16 115.89 1d5i n LYS 129 Ca 0.00 -3.92 -0.15 0.00 -2.87 0.00 0.00 58.31 51.37 1d5i n LYS 129 Cb 0.00 -2.05 -0.09 0.00 -1.84 0.00 0.00 35.03 31.05 1d5i n LYS 129 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1d5i s SER 130 N -3.56 0.75 0.00 4.39 1.04 -1.24 -5.04 113.70 110.04 1d5i s SER 130 Ca 0.45 -1.50 0.00 0.00 0.48 0.00 0.00 55.95 55.38 1d5i s SER 130 Cb 0.39 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.92 1d5i s SER 130 CO 0.01 -0.89 0.00 0.41 0.98 0.00 0.00 173.24 173.75 1d5i n THR 131 N -0.41 0.00 -3.53 2.02 -1.04 -1.26 -4.47 114.28 105.60 1d5i n THR 131 Ca 0.03 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.63 1d5i n THR 131 Cb 0.65 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.08 1d5i n THR 131 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1d5i s SER 132 N -1.18 5.78 0.00 8.00 0.01 -1.26 -4.81 113.70 120.24 1d5i s SER 132 Ca 0.00 -1.72 0.00 0.00 1.31 0.00 0.00 55.95 55.54 1d5i s SER 132 Cb 0.00 -2.04 0.00 0.00 0.21 0.00 0.00 66.02 64.19 1d5i s SER 132 CO 0.00 -0.66 0.65 0.61 0.41 0.00 0.00 173.24 174.25 1d5i n GLY 133 N 4.98 0.76 3.99 3.44 0.00 -1.26 -5.08 105.19 112.02 1d5i n GLY 133 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1d5i n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d5i n GLY 134 N 0.00 2.20 3.20 -0.02 0.00 -1.26 -4.80 105.19 104.51 1d5i n GLY 134 Ca 0.00 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 1d5i n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d5i s THR 135 N 0.00 1.50 0.24 2.61 2.01 -1.26 -0.19 115.64 120.55 1d5i s THR 135 Ca 0.00 -0.92 0.10 0.00 0.31 0.00 0.00 61.69 61.18 1d5i s THR 135 Cb 0.00 -1.27 -0.05 0.00 0.01 0.00 0.00 72.50 71.19 1d5i s THR 135 CO 0.00 0.33 -0.18 0.00 -0.69 0.00 0.00 174.62 174.09 1d5i s ALA 136 N -0.56 2.40 0.04 7.40 0.00 0.68 -4.73 121.76 126.98 1d5i s ALA 136 Ca 0.07 -1.77 0.08 0.00 0.00 0.00 0.00 51.96 50.34 1d5i s ALA 136 Cb -0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1d5i s ALA 136 CO 0.00 0.19 -0.21 0.00 0.00 0.00 0.00 175.76 175.74 1d5i s ALA 137 N -2.69 2.47 0.25 0.00 0.00 -1.26 0.38 121.76 120.92 1d5i s ALA 137 Ca 0.26 -1.21 -0.15 0.00 0.00 0.00 0.00 51.96 50.86 1d5i s ALA 137 Cb -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.43 1d5i s ALA 137 CO 0.11 0.56 0.54 -0.48 0.00 0.00 0.00 175.76 176.49 1d5i s LEU 138 N -1.32 0.17 0.00 0.00 0.05 -0.70 -3.80 118.68 113.08 1d5i s LEU 138 Ca 0.13 -0.84 0.00 0.00 0.05 0.00 0.00 54.13 53.48 1d5i s LEU 138 Cb -0.10 2.01 0.00 0.00 -2.05 0.00 0.00 46.19 46.05 1d5i s LEU 138 CO 0.04 -1.19 0.00 0.61 -0.55 0.00 0.00 176.35 175.26 1d5i n GLY 139 N -0.40 -0.61 2.92 -3.48 0.00 -0.98 -0.85 105.19 101.79 1d5i n GLY 139 Ca -0.02 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 1d5i n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d5i s LEU 141 N -0.15 3.37 -0.57 0.00 2.96 0.83 -1.86 118.68 123.27 1d5i s LEU 141 Ca -0.02 -0.41 -0.16 0.00 -0.22 0.00 0.00 54.13 53.32 1d5i s LEU 141 Cb -0.01 -1.85 0.14 0.00 0.50 0.00 0.00 46.19 44.97 1d5i s LEU 141 CO 0.00 -0.07 0.52 -0.69 -1.32 0.00 0.00 176.35 174.79 1d5i s VAL 142 N 1.54 5.25 0.11 1.68 1.01 0.62 -0.86 120.40 129.74 1d5i s VAL 142 Ca 0.05 -1.58 0.07 0.00 0.00 0.00 0.00 61.98 60.51 1d5i s VAL 142 Cb -0.15 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 1d5i s VAL 142 CO 0.01 -0.88 -0.07 -0.75 0.00 0.00 0.00 175.10 173.40 1d5i s LYS 143 N 1.48 2.23 -1.04 2.72 2.20 0.10 -0.81 119.74 126.61 1d5i s LYS 143 Ca 0.04 -0.99 -0.07 0.00 -0.36 0.00 0.00 55.97 54.59 1d5i s LYS 143 Cb -0.28 -2.36 -0.06 0.00 -1.51 0.00 0.00 37.83 33.62 1d5i s LYS 143 CO 0.02 0.51 0.90 -0.25 -0.36 0.00 0.00 175.35 176.17 1d5i n ASP 144 N 0.62 -6.59 -4.47 1.43 8.00 -0.17 -1.14 116.55 114.24 1d5i n ASP 144 Ca -0.13 -0.71 -0.23 0.00 0.71 0.00 0.00 54.79 54.43 1d5i n ASP 144 Cb 0.52 -5.05 -0.10 0.00 -0.02 0.00 0.00 41.12 36.47 1d5i n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1d5i s TYR 145 N -3.38 2.13 -0.28 1.24 -0.85 -0.66 -4.14 117.35 111.41 1d5i s TYR 145 Ca 0.44 -0.61 -0.23 0.00 -0.52 0.00 0.00 57.07 56.16 1d5i s TYR 145 Cb -0.07 -1.21 0.11 0.00 0.38 0.00 0.00 41.96 41.18 1d5i s TYR 145 CO 0.75 0.41 0.92 0.12 -1.52 0.00 0.00 175.55 176.24 1d5i s PHE 146 N -2.84 -0.62 0.35 -3.49 5.36 -0.63 -0.28 117.98 115.83 1d5i s PHE 146 Ca 0.31 1.43 -0.01 0.00 -0.96 0.00 0.00 56.93 57.69 1d5i s PHE 146 Cb 0.03 0.37 0.07 0.00 -0.34 0.00 0.00 43.02 43.15 1d5i s PHE 146 CO 0.14 -0.30 0.49 -0.35 -1.46 0.00 0.00 175.22 173.73 1d5i n PRO 147 N 2.79 0.18 -1.11 10.12 -0.04 -1.26 -0.18 135.00 145.50 1d5i n PRO 147 Ca -0.15 -1.25 -0.31 0.00 -0.04 0.00 0.00 63.50 61.76 1d5i n PRO 147 Cb 0.56 -0.35 0.12 0.00 -0.04 0.00 0.00 33.50 33.80 1d5i n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1d5i s GLU 148 N -3.73 1.67 0.46 0.54 2.02 -1.26 -4.78 118.70 113.62 1d5i s GLU 148 Ca 0.32 1.15 0.05 0.00 0.02 0.00 0.00 54.97 56.50 1d5i s GLU 148 Cb -0.02 -1.83 -0.03 0.00 0.10 0.00 0.00 34.13 32.35 1d5i s GLU 148 CO 0.21 -2.05 0.12 -1.25 0.02 0.00 0.00 175.26 172.31 1d5i s PRO 149 N -4.85 2.16 0.17 0.39 0.04 -1.26 -4.95 135.00 126.70 1d5i s PRO 149 Ca 0.63 -2.09 0.09 0.00 0.04 0.00 0.00 61.00 59.67 1d5i s PRO 149 Cb -0.19 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1d5i s PRO 149 CO 0.57 -0.24 -0.19 0.14 0.04 0.00 0.00 177.00 177.31 1d5i s VAL 150 N -2.73 1.93 0.19 -0.36 -7.23 -1.26 -4.53 120.40 106.41 1d5i s VAL 150 Ca 0.29 -1.94 0.11 0.00 -1.81 0.00 0.00 61.98 58.63 1d5i s VAL 150 Cb 0.04 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 1d5i s VAL 150 CO 0.16 -0.27 -0.23 0.42 -0.31 0.00 0.00 175.10 174.87 1d5i s THR 151 N -1.95 2.43 -0.05 5.32 -4.23 -0.57 -4.98 115.64 111.61 1d5i s THR 151 Ca 0.17 -1.97 -0.03 0.00 -1.18 0.00 0.00 61.69 58.68 1d5i s THR 151 Cb -0.06 -2.16 0.03 0.00 1.34 0.00 0.00 72.50 71.65 1d5i s THR 151 CO 0.07 -0.10 0.12 -0.69 -0.54 0.00 0.00 174.62 173.49 1d5i s VAL 152 N -1.62 -0.04 0.31 2.29 1.01 -1.25 -1.82 120.40 119.28 1d5i s VAL 152 Ca 0.21 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.36 1d5i s VAL 152 Cb -0.08 -0.20 -0.06 0.00 0.00 0.00 0.00 36.38 36.04 1d5i s VAL 152 CO 0.10 0.06 0.04 -0.94 0.00 0.00 0.00 175.10 174.36 1d5i s SER 153 N 0.88 2.28 -0.11 3.32 1.04 -0.46 -4.95 113.70 115.69 1d5i s SER 153 Ca -0.07 -1.34 0.02 0.00 0.48 0.00 0.00 55.95 55.04 1d5i s SER 153 Cb -0.09 -0.07 0.01 0.00 0.10 0.00 0.00 66.02 65.97 1d5i s SER 153 CO -0.04 -0.58 -0.19 0.26 0.98 0.00 0.00 173.24 173.67 1d5i s TRP 154 N -3.31 2.28 -1.19 5.02 0.52 -1.26 0.01 118.94 121.01 1d5i s TRP 154 Ca 0.35 -1.06 -0.11 0.00 0.02 0.00 0.00 56.10 55.30 1d5i s TRP 154 Cb 0.08 -1.58 -0.02 0.00 -1.15 0.00 0.00 33.47 30.80 1d5i s TRP 154 CO 0.14 -0.50 0.76 0.09 0.02 0.00 0.00 176.95 177.47 1d5i n ASN 155 N 4.00 -4.06 -1.27 2.95 3.02 0.11 -2.17 115.26 117.83 1d5i n ASN 155 Ca -0.20 -0.91 -0.07 0.00 -0.03 0.00 0.00 54.58 53.37 1d5i n ASN 155 Cb 0.52 -3.87 -0.03 0.00 -0.61 0.00 0.00 39.78 35.79 1d5i n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1d5i n SER 156 N -2.90 -1.98 0.00 6.41 7.64 -1.26 -1.44 113.62 120.09 1d5i n SER 156 Ca -0.16 0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1d5i n SER 156 Cb 0.63 -2.06 0.00 0.00 -1.01 0.00 0.00 64.21 61.77 1d5i n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1d5i n GLY 157 N -0.16 1.73 0.21 0.23 0.00 -0.92 -4.96 105.19 101.30 1d5i n GLY 157 Ca -0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.09 1d5i n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d5i h ALA 158 N 0.00 1.00 -3.14 4.61 0.00 -1.29 -3.41 119.26 117.04 1d5i h ALA 158 Ca 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.21 1d5i h ALA 158 Cb 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 17.47 1d5i h ALA 158 CO 0.00 0.00 -0.57 -1.17 0.00 0.00 0.00 179.25 177.51 1d5i s LEU 159 N -5.54 4.78 -0.00 0.00 2.96 -1.04 -4.90 118.68 114.94 1d5i s LEU 159 Ca 0.04 -1.59 0.00 0.00 -0.22 0.00 0.00 54.13 52.36 1d5i s LEU 159 Cb 0.09 -1.85 -0.00 0.00 0.50 0.00 0.00 46.19 44.93 1d5i s LEU 159 CO 0.54 -0.45 -0.00 0.41 -1.32 0.00 0.00 176.35 175.53 1d5i n THR 160 N 4.71 0.02 -1.92 3.68 -1.04 -1.26 -4.24 114.28 114.23 1d5i n THR 160 Ca -0.08 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.50 1d5i n THR 160 Cb 0.43 -0.62 -0.02 0.00 -1.82 0.00 0.00 70.33 68.30 1d5i n THR 160 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1d5i s SER 161 N -4.14 6.55 0.00 8.00 0.15 -1.26 -2.60 113.70 120.40 1d5i s SER 161 Ca -0.01 2.75 0.00 0.00 0.70 0.00 0.00 55.95 59.39 1d5i s SER 161 Cb 0.00 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1d5i s SER 161 CO 0.01 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.27 1d5i n GLY 162 N 2.44 0.49 3.67 9.45 0.00 -1.26 -4.81 105.19 115.16 1d5i n GLY 162 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1d5i n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d5i s VAL 163 N -2.09 5.02 -0.18 1.61 1.01 -1.07 -3.45 120.40 121.24 1d5i s VAL 163 Ca 0.00 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.22 1d5i s VAL 163 Cb 0.00 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.46 1d5i s VAL 163 CO 0.00 0.13 -0.10 -1.00 0.00 0.00 0.00 175.10 174.13 1d5i s HIS 164 N 1.77 2.20 -0.23 5.22 3.76 -0.35 -5.00 115.29 122.65 1d5i s HIS 164 Ca 0.30 -1.40 -0.06 0.00 -0.15 0.00 0.00 55.06 53.75 1d5i s HIS 164 Cb -0.16 -1.55 -0.02 0.00 1.11 0.00 0.00 32.58 31.95 1d5i s HIS 164 CO 0.11 -0.70 0.04 0.99 -0.85 0.00 0.00 174.74 174.33 1d5i s THR 165 N 1.47 4.07 0.47 1.30 2.01 -1.26 -1.32 115.64 122.38 1d5i s THR 165 Ca 0.00 -0.26 -0.19 0.00 0.31 0.00 0.00 61.69 61.56 1d5i s THR 165 Cb -0.15 -2.89 -0.09 0.00 0.01 0.00 0.00 72.50 69.38 1d5i s THR 165 CO -0.09 0.37 0.97 -0.36 -0.69 0.00 0.00 174.62 174.83 1d5i s PHE 166 N 1.47 3.38 0.43 4.92 0.08 -0.61 -5.02 117.98 122.63 1d5i s PHE 166 Ca 0.05 1.54 -0.26 0.00 0.12 0.00 0.00 56.93 58.39 1d5i s PHE 166 Cb -0.15 -2.82 -0.09 0.00 -0.57 0.00 0.00 43.02 39.39 1d5i s PHE 166 CO 0.02 -0.25 1.34 -2.30 -0.10 0.00 0.00 175.22 173.93 1d5i n PRO 167 N -1.13 2.08 -2.00 0.24 -0.02 -1.26 -4.56 135.00 128.36 1d5i n PRO 167 Ca 0.07 0.74 -0.37 0.00 -2.02 0.00 0.00 63.50 61.92 1d5i n PRO 167 Cb 0.54 -2.48 0.03 0.00 -0.02 0.00 0.00 33.50 31.57 1d5i n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1d5i s ALA 168 N -1.19 2.63 0.02 3.55 0.00 -1.26 -4.80 121.76 120.70 1d5i s ALA 168 Ca 0.61 1.06 0.07 0.00 0.00 0.00 0.00 51.96 53.70 1d5i s ALA 168 Cb -0.49 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.14 1d5i s ALA 168 CO 0.58 -1.15 -0.22 0.14 0.00 0.00 0.00 175.76 175.11 1d5i s VAL 169 N -1.53 2.46 -0.28 0.00 -7.23 -0.10 -4.94 120.40 108.78 1d5i s VAL 169 Ca 0.75 -1.16 -0.20 0.00 -1.81 0.00 0.00 61.98 59.56 1d5i s VAL 169 Cb -0.32 -1.96 -0.02 0.00 0.56 0.00 0.00 36.38 34.64 1d5i s VAL 169 CO 0.36 0.44 0.61 -0.22 -0.31 0.00 0.00 175.10 175.97 1d5i s LEU 170 N -1.09 4.09 0.57 1.32 2.96 -1.26 -1.44 118.68 123.84 1d5i s LEU 170 Ca 0.12 0.56 -0.04 0.00 -0.22 0.00 0.00 54.13 54.55 1d5i s LEU 170 Cb -0.10 -2.80 0.01 0.00 0.50 0.00 0.00 46.19 43.80 1d5i s LEU 170 CO 0.02 -0.39 0.86 -1.10 -1.32 0.00 0.00 176.35 174.42 1d5i s GLN 171 N 2.50 2.83 0.38 1.98 -0.21 -0.39 -4.95 119.66 121.80 1d5i s GLN 171 Ca 0.25 -0.20 0.07 0.00 0.02 0.00 0.00 55.36 55.51 1d5i s GLN 171 Cb -0.15 -2.33 0.80 0.00 1.00 0.00 0.00 33.01 32.32 1d5i s GLN 171 CO 0.10 -0.68 1.96 0.66 -2.12 0.00 0.00 175.29 175.21 1d5i h SER 172 N -0.09 0.60 0.00 5.90 4.64 -1.97 0.74 113.55 123.37 1d5i h SER 172 Ca -0.45 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1d5i h SER 172 Cb 1.27 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1d5i h SER 172 CO 0.59 0.38 0.03 -1.54 -0.87 0.00 0.00 176.83 175.43 1d5i n SER 173 N -4.48 0.00 0.00 4.97 3.41 -1.26 -4.79 113.62 111.47 1d5i n SER 173 Ca 0.10 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 1d5i n SER 173 Cb 0.25 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1d5i n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1d5i n GLY 174 N -1.45 0.93 3.88 5.00 0.00 0.25 -5.01 105.19 108.79 1d5i n GLY 174 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1d5i n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d5i s LEU 175 N 0.00 4.11 0.32 0.99 1.43 -1.26 -4.85 118.68 119.43 1d5i s LEU 175 Ca 0.00 0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.13 1d5i s LEU 175 Cb 0.00 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 1d5i s LEU 175 CO 0.00 0.08 0.57 -0.31 0.23 0.00 0.00 176.35 176.93 1d5i s TYR 176 N -1.68 3.49 0.01 0.29 2.02 0.61 -1.27 117.35 120.83 1d5i s TYR 176 Ca 0.33 0.57 0.00 0.00 -0.37 0.00 0.00 57.07 57.60 1d5i s TYR 176 Cb -0.11 -2.06 -0.01 0.00 -0.40 0.00 0.00 41.96 39.37 1d5i s TYR 176 CO 0.26 0.11 -0.02 0.45 -1.57 0.00 0.00 175.55 174.78 1d5i s SER 177 N -3.51 0.19 -0.02 2.29 0.15 -0.52 -1.00 113.70 111.28 1d5i s SER 177 Ca 0.43 -0.36 -0.14 0.00 0.70 0.00 0.00 55.95 56.58 1d5i s SER 177 Cb -0.10 0.07 0.02 0.00 -1.71 0.00 0.00 66.02 64.30 1d5i s SER 177 CO 0.33 -0.21 0.30 -0.22 1.20 0.00 0.00 173.24 174.64 1d5i s LEU 178 N -1.04 0.89 0.09 3.45 0.20 0.01 -0.92 118.68 121.35 1d5i s LEU 178 Ca -0.11 0.12 0.10 0.00 0.69 0.00 0.00 54.13 54.93 1d5i s LEU 178 Cb -0.07 1.22 -0.03 0.00 -0.43 0.00 0.00 46.19 46.87 1d5i s LEU 178 CO -0.01 -0.41 -0.26 -0.44 -0.29 0.00 0.00 176.35 174.94 1d5i s SER 179 N -1.19 3.28 -0.06 3.68 0.01 -1.26 -0.28 113.70 117.89 1d5i s SER 179 Ca -0.12 -0.66 0.02 0.00 1.31 0.00 0.00 55.95 56.49 1d5i s SER 179 Cb -0.05 -0.27 0.01 0.00 0.21 0.00 0.00 66.02 65.92 1d5i s SER 179 CO 0.04 0.22 -0.11 -0.55 0.41 0.00 0.00 173.24 173.25 1d5i s SER 180 N -1.68 1.62 0.27 2.44 0.15 -0.78 -1.57 113.70 114.15 1d5i s SER 180 Ca 0.13 -0.27 0.06 0.00 0.70 0.00 0.00 55.95 56.57 1d5i s SER 180 Cb -0.10 -0.75 -0.06 0.00 -1.71 0.00 0.00 66.02 63.41 1d5i s SER 180 CO 0.04 0.02 -0.04 0.68 1.20 0.00 0.00 173.24 175.14 1d5i s VAL 181 N 0.67 1.50 -0.24 4.45 -7.23 -0.44 -1.01 120.40 118.11 1d5i s VAL 181 Ca -0.14 -2.10 -0.20 0.00 -1.81 0.00 0.00 61.98 57.74 1d5i s VAL 181 Cb -0.15 -2.43 0.06 0.00 0.56 0.00 0.00 36.38 34.42 1d5i s VAL 181 CO 0.03 -0.30 0.62 0.54 -0.31 0.00 0.00 175.10 175.68 1d5i s VAL 182 N -3.11 -0.00 -0.13 1.32 0.11 -0.03 -1.21 120.40 117.34 1d5i s VAL 182 Ca 0.29 0.01 -0.06 0.00 -2.93 0.00 0.00 61.98 59.29 1d5i s VAL 182 Cb 0.04 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.98 1d5i s VAL 182 CO 0.11 0.00 0.09 0.42 -3.33 0.00 0.00 175.10 172.40 1d5i s THR 183 N 0.65 5.09 0.16 5.04 -4.23 -1.22 -1.72 115.64 119.41 1d5i s THR 183 Ca -0.03 0.06 0.05 0.00 -1.18 0.00 0.00 61.69 60.60 1d5i s THR 183 Cb -0.05 -3.23 -0.04 0.00 1.34 0.00 0.00 72.50 70.52 1d5i s THR 183 CO -0.04 0.57 -0.11 0.68 -0.54 0.00 0.00 174.62 175.17 1d5i s VAL 184 N -0.57 1.31 0.17 2.29 -7.23 0.16 -4.88 120.40 111.66 1d5i s VAL 184 Ca 0.12 -2.06 -0.32 0.00 -1.81 0.00 0.00 61.98 57.91 1d5i s VAL 184 Cb -0.12 -1.86 -0.11 0.00 0.56 0.00 0.00 36.38 34.86 1d5i s VAL 184 CO 0.02 -0.68 1.65 -2.84 -0.31 0.00 0.00 175.10 172.94 1d5i s PRO 185 N -3.62 4.18 0.00 4.82 0.02 -1.26 -0.23 135.00 138.90 1d5i s PRO 185 Ca 0.17 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.66 1d5i s PRO 185 Cb 0.01 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1d5i s PRO 185 CO 0.02 -0.68 0.63 0.43 -0.33 0.00 0.00 177.00 177.06 1d5i n SER 186 N 4.21 0.00 -2.71 2.53 7.64 0.74 -2.17 113.62 123.85 1d5i n SER 186 Ca 0.15 0.19 -0.36 0.00 1.01 0.00 0.00 58.87 59.87 1d5i n SER 186 Cb 0.37 -0.19 0.03 0.00 -1.01 0.00 0.00 64.21 63.41 1d5i n SER 186 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1d5i n SER 187 N -1.13 6.74 0.00 6.43 3.41 -1.26 -4.00 113.62 123.81 1d5i n SER 187 Ca 0.00 -3.80 0.00 0.00 -0.26 0.00 0.00 58.87 54.81 1d5i n SER 187 Cb 0.15 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 1d5i n SER 187 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1d5i n SER 188 N -0.57 0.00 -0.91 4.04 7.64 -0.92 -4.79 113.62 118.11 1d5i n SER 188 Ca 0.51 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1d5i n SER 188 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 1d5i n SER 188 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1d5i n LEU 189 N -0.29 0.00 0.00 -3.43 4.32 -1.26 0.60 117.00 116.95 1d5i n LEU 189 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1d5i n LEU 189 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1d5i n LEU 189 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 1d5i n GLY 190 N 0.71 0.01 0.72 -0.72 0.00 -1.26 -4.87 105.19 99.78 1d5i n GLY 190 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1d5i n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1d5i n THR 191 N 0.00 0.03 -3.90 2.61 -2.24 0.12 -4.99 114.28 105.91 1d5i n THR 191 Ca 0.00 -0.51 -0.11 0.00 -2.27 0.00 0.00 64.05 61.16 1d5i n THR 191 Cb 0.00 1.35 -0.10 0.00 -2.10 0.00 0.00 70.33 69.47 1d5i n THR 191 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1d5i s GLN 192 N -1.48 0.41 -0.08 -0.78 -1.52 0.20 -5.04 119.66 111.38 1d5i s GLN 192 Ca 0.21 -0.43 -0.05 0.00 -1.95 0.00 0.00 55.36 53.14 1d5i s GLN 192 Cb 0.15 0.17 -0.04 0.00 -0.22 0.00 0.00 33.01 33.07 1d5i s GLN 192 CO 0.22 -0.09 0.13 0.95 -0.25 0.00 0.00 175.29 176.26 1d5i s THR 193 N -1.32 5.32 -0.20 -0.19 -4.23 -1.26 -4.73 115.64 109.03 1d5i s THR 193 Ca -0.14 0.04 -0.03 0.00 -1.18 0.00 0.00 61.69 60.38 1d5i s THR 193 Cb -0.08 -3.36 0.06 0.00 1.34 0.00 0.00 72.50 70.46 1d5i s THR 193 CO 0.01 0.53 0.04 -0.31 -0.54 0.00 0.00 174.62 174.35 1d5i s TYR 194 N -1.10 0.98 -0.04 3.99 2.02 -1.26 -4.97 117.35 116.98 1d5i s TYR 194 Ca 0.18 -0.85 0.05 0.00 -0.37 0.00 0.00 57.07 56.09 1d5i s TYR 194 Cb -0.12 -1.02 -0.01 0.00 -0.40 0.00 0.00 41.96 40.41 1d5i s TYR 194 CO 0.08 -0.61 -0.20 0.42 -1.57 0.00 0.00 175.55 173.66 1d5i s ILE 195 N 1.87 1.67 -0.13 2.71 1.01 -1.26 -0.75 121.20 126.33 1d5i s ILE 195 Ca -0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 60.65 59.76 1d5i s ILE 195 Cb -0.17 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 1d5i s ILE 195 CO -0.09 0.47 -0.05 0.00 0.00 0.00 0.00 174.94 175.27 1d5i s ASN 197 N -0.01 6.16 -0.10 0.00 -0.87 0.10 -1.99 114.94 118.22 1d5i s ASN 197 Ca 0.00 -0.44 -0.01 0.00 -1.57 0.00 0.00 52.86 50.85 1d5i s ASN 197 Cb -0.13 -2.19 -0.03 0.00 -0.02 0.00 0.00 41.25 38.88 1d5i s ASN 197 CO 0.03 -0.39 -0.07 -0.69 -2.57 0.00 0.00 177.10 173.41 1d5i s VAL 198 N 1.96 3.68 -0.03 1.60 1.01 0.85 -1.35 120.40 128.12 1d5i s VAL 198 Ca 0.10 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1d5i s VAL 198 Cb -0.17 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.69 1d5i s VAL 198 CO 0.12 0.56 -0.03 0.21 0.00 0.00 0.00 175.10 175.96 1d5i s ASN 199 N -0.29 0.67 -0.47 3.32 3.04 -0.75 -0.47 114.94 119.99 1d5i s ASN 199 Ca 0.04 -0.08 0.03 0.00 0.04 0.00 0.00 52.86 52.89 1d5i s ASN 199 Cb -0.13 -0.31 0.14 0.00 -1.54 0.00 0.00 41.25 39.41 1d5i s ASN 199 CO 0.02 -0.06 0.28 -2.28 -3.04 0.00 0.00 177.10 172.02 1d5i s HIS 200 N 0.83 2.08 0.19 0.43 5.65 0.44 -1.51 115.29 123.41 1d5i s HIS 200 Ca -0.10 -2.52 -0.13 0.00 0.25 0.00 0.00 55.06 52.56 1d5i s HIS 200 Cb -0.13 -1.89 0.21 0.00 -1.18 0.00 0.00 32.58 29.60 1d5i s HIS 200 CO -0.01 -0.76 1.70 0.87 -0.65 0.00 0.00 174.74 175.89 1d5i h LYS 201 N 6.47 0.18 -1.12 2.88 1.57 -1.79 -1.50 116.57 123.26 1d5i h LYS 201 Ca 0.04 -0.01 0.32 0.00 -1.87 0.00 0.00 60.65 59.12 1d5i h LYS 201 Cb 0.91 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.12 1d5i h LYS 201 CO 0.50 0.12 0.78 -1.35 -0.57 0.00 0.00 179.45 178.93 1d5i h PRO 202 N 0.19 0.09 -0.30 3.15 0.11 -1.91 0.31 132.00 133.63 1d5i h PRO 202 Ca 0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.37 1d5i h PRO 202 Cb 0.38 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1d5i h PRO 202 CO -0.38 0.06 0.00 -1.13 -0.21 0.00 0.00 178.00 176.34 1d5i n SER 203 N -4.30 2.80 -3.68 -2.05 3.41 -0.67 -4.96 113.62 104.17 1d5i n SER 203 Ca 0.25 -1.90 -0.27 0.00 -0.26 0.00 0.00 58.87 56.68 1d5i n SER 203 Cb 1.13 -0.20 0.03 0.00 -0.26 0.00 0.00 64.21 64.91 1d5i n SER 203 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1d5i n ASN 204 N 0.61 -5.10 -4.81 4.04 5.15 0.11 -4.90 115.26 110.36 1d5i n ASN 204 Ca 0.11 -0.63 -0.37 0.00 -0.60 0.00 0.00 54.58 53.10 1d5i n ASN 204 Cb 0.41 -4.08 -0.06 0.00 -0.53 0.00 0.00 39.78 35.52 1d5i n ASN 204 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1d5i s THR 205 N -3.24 5.32 -0.13 -0.44 2.01 -0.76 -4.99 115.64 113.40 1d5i s THR 205 Ca 0.58 0.47 -0.05 0.00 0.31 0.00 0.00 61.69 62.99 1d5i s THR 205 Cb -0.28 -3.55 0.06 0.00 0.01 0.00 0.00 72.50 68.73 1d5i s THR 205 CO 0.71 0.53 0.28 -0.75 -0.69 0.00 0.00 174.62 174.70 1d5i s LYS 206 N -0.51 0.19 -0.00 4.92 2.20 -1.26 -0.42 119.74 124.86 1d5i s LYS 206 Ca 0.17 0.71 0.03 0.00 -0.36 0.00 0.00 55.97 56.51 1d5i s LYS 206 Cb -0.13 -0.03 -0.01 0.00 -1.51 0.00 0.00 37.83 36.14 1d5i s LYS 206 CO 0.06 -0.24 -0.08 0.08 -0.36 0.00 0.00 175.35 174.81 1d5i s VAL 207 N 2.00 0.65 -0.14 4.02 1.01 0.38 -5.01 120.40 123.32 1d5i s VAL 207 Ca -0.03 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1d5i s VAL 207 Cb -0.11 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.71 1d5i s VAL 207 CO -0.09 0.16 -0.18 -1.81 0.00 0.00 0.00 175.10 173.17 1d5i s ASP 208 N -0.27 3.44 -0.14 3.32 1.01 -1.26 -0.10 116.67 122.66 1d5i s ASP 208 Ca 0.03 -0.52 0.02 0.00 0.71 0.00 0.00 52.55 52.79 1d5i s ASP 208 Cb -0.03 -1.51 0.01 0.00 1.01 0.00 0.00 42.92 42.40 1d5i s ASP 208 CO -0.00 0.09 -0.19 -0.75 0.21 0.00 0.00 175.17 174.53 1d5i s LYS 209 N 0.76 2.72 0.02 8.23 2.47 -0.84 -4.93 119.74 128.16 1d5i s LYS 209 Ca -0.07 -0.74 -0.24 0.00 -1.56 0.00 0.00 55.97 53.36 1d5i s LYS 209 Cb -0.16 -2.29 -0.05 0.00 -1.46 0.00 0.00 37.83 33.88 1d5i s LYS 209 CO 0.00 -0.10 0.73 0.21 0.16 0.00 0.00 175.35 176.35 1d5i s LYS 210 N 1.06 4.46 -0.07 4.03 2.20 -1.26 -1.10 119.74 129.05 1d5i s LYS 210 Ca -0.03 0.98 0.04 0.00 -0.36 0.00 0.00 55.97 56.61 1d5i s LYS 210 Cb -0.14 -3.37 -0.01 0.00 -1.51 0.00 0.00 37.83 32.79 1d5i s LYS 210 CO -0.05 0.26 -0.20 0.08 -0.36 0.00 0.00 175.35 175.08 1d5i s VAL 211 N 0.05 2.54 0.04 4.02 1.01 0.07 -4.94 120.40 123.18 1d5i s VAL 211 Ca 0.37 -0.89 -0.27 0.00 0.00 0.00 0.00 61.98 61.19 1d5i s VAL 211 Cb -0.20 -1.98 0.09 0.00 0.00 0.00 0.00 36.38 34.30 1d5i s VAL 211 CO 0.21 0.56 0.84 -1.83 0.00 0.00 0.00 175.10 174.88 1d5i s GLU 212 N -0.16 0.95 0.61 2.72 -1.05 -1.26 -4.54 118.70 115.97 1d5i s GLU 212 Ca -0.02 -0.37 -0.14 0.00 -0.15 0.00 0.00 54.97 54.28 1d5i s GLU 212 Cb -0.14 0.42 -0.12 0.00 -0.44 0.00 0.00 34.13 33.85 1d5i s GLU 212 CO 0.04 -0.42 -0.37 -0.35 0.95 0.00 0.00 175.26 175.11 1d5i n PRO 213 N -0.29 0.00 -0.72 -4.83 -0.04 -1.26 -4.55 135.00 123.31 1d5i n PRO 213 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1d5i n PRO 213 Cb 0.62 -0.83 0.00 0.00 -0.04 0.00 0.00 33.50 33.26 1d5i n PRO 213 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63