#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6t s VAL 2 N 0.00 3.88 -0.14 6.31 1.01 -1.26 -3.72 120.40 126.48 1a6t s VAL 2 Ca 0.00 1.32 -0.08 0.00 0.00 0.00 0.00 61.98 63.23 1a6t s VAL 2 Cb 0.00 -3.85 0.05 0.00 0.00 0.00 0.00 36.38 32.58 1a6t s VAL 2 CO 0.00 0.07 0.33 -1.58 0.00 0.00 0.00 175.10 173.92 1a6t s GLN 3 N 1.42 0.31 -0.33 2.72 0.74 0.00 -4.96 119.66 119.56 1a6t s GLN 3 Ca 0.60 0.64 0.04 0.00 0.05 0.00 0.00 55.36 56.69 1a6t s GLN 3 Cb -0.30 -0.05 0.09 0.00 1.10 0.00 0.00 33.01 33.85 1a6t s GLN 3 CO 0.28 -0.15 0.03 -0.51 -0.55 0.00 0.00 175.29 174.39 1a6t s LEU 4 N 1.21 4.48 -0.32 3.68 1.43 -1.25 -0.18 118.68 127.73 1a6t s LEU 4 Ca -0.08 -2.02 -0.11 0.00 -1.03 0.00 0.00 54.13 50.88 1a6t s LEU 4 Cb -0.09 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 1a6t s LEU 4 CO -0.10 -0.35 0.19 0.00 0.23 0.00 0.00 176.35 176.33 1a6t s GLN 5 N 0.96 3.49 0.62 1.70 0.00 0.89 -3.89 119.66 123.43 1a6t s GLN 5 Ca 0.08 -0.63 -0.06 0.00 -0.00 0.00 0.00 55.36 54.75 1a6t s GLN 5 Cb -0.19 -3.68 0.02 0.00 0.00 0.00 0.00 33.01 29.16 1a6t s GLN 5 CO -0.08 -0.39 0.93 -0.65 0.00 0.00 0.00 175.29 175.10 1a6t s GLN 6 N 1.68 2.69 0.75 9.60 -0.21 -1.26 -1.26 119.66 131.65 1a6t s GLN 6 Ca 0.06 -0.11 -0.11 0.00 0.02 0.00 0.00 55.36 55.22 1a6t s GLN 6 Cb -0.17 -2.25 0.04 0.00 1.00 0.00 0.00 33.01 31.63 1a6t s GLN 6 CO 0.09 -0.86 1.08 -1.54 -2.12 0.00 0.00 175.29 171.93 1a6t s SER 7 N -4.37 4.92 1.22 5.90 1.04 -0.78 -4.96 113.70 116.68 1a6t s SER 7 Ca 0.56 1.48 -0.17 0.00 0.48 0.00 0.00 55.95 58.29 1a6t s SER 7 Cb -0.11 -2.28 0.29 0.00 0.10 0.00 0.00 66.02 64.03 1a6t s SER 7 CO 0.45 -1.72 1.03 -0.83 0.98 0.00 0.00 173.24 173.15 1a6t s GLY 8 N -3.83 1.52 0.60 7.32 0.00 -1.26 -4.65 107.32 107.01 1a6t s GLY 8 Ca 0.59 -0.61 -0.19 0.00 0.00 0.00 0.00 44.72 44.51 1a6t s GLY 8 CO 0.55 0.22 1.27 2.56 0.00 0.00 0.00 173.10 177.70 1a6t s PRO 9 N -4.99 2.88 0.03 2.90 0.04 -1.26 -4.70 135.00 129.89 1a6t s PRO 9 Ca 0.69 2.00 0.02 0.00 0.04 0.00 0.00 61.00 63.74 1a6t s PRO 9 Cb -0.16 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1a6t s PRO 9 CO 0.59 -1.33 -0.06 0.34 0.04 0.00 0.00 177.00 176.58 1a6t s ASP 10 N -1.38 0.65 -0.12 6.66 -1.08 -0.34 -4.98 116.67 116.07 1a6t s ASP 10 Ca 0.78 -0.49 0.02 0.00 -0.52 0.00 0.00 52.55 52.33 1a6t s ASP 10 Cb -0.35 0.05 0.02 0.00 -1.46 0.00 0.00 42.92 41.17 1a6t s ASP 10 CO 0.38 -0.21 -0.16 -0.22 0.52 0.00 0.00 175.17 175.48 1a6t s LEU 11 N -1.41 1.79 0.01 -1.34 2.96 -1.26 -1.52 118.68 117.92 1a6t s LEU 11 Ca -0.11 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 53.31 1a6t s LEU 11 Cb -0.09 -1.18 -0.01 0.00 0.50 0.00 0.00 46.19 45.41 1a6t s LEU 11 CO -0.00 0.01 0.02 0.68 -1.32 0.00 0.00 176.35 175.74 1a6t s VAL 12 N 1.05 0.08 0.37 1.68 -7.23 0.06 -5.01 120.40 111.41 1a6t s VAL 12 Ca -0.04 -0.70 -0.24 0.00 -1.81 0.00 0.00 61.98 59.19 1a6t s VAL 12 Cb -0.15 -0.26 -0.10 0.00 0.56 0.00 0.00 36.38 36.43 1a6t s VAL 12 CO -0.03 -0.38 0.99 -0.54 -0.31 0.00 0.00 175.10 174.82 1a6t s LYS 13 N -1.17 4.36 0.57 4.82 1.02 -1.25 -0.87 119.74 127.21 1a6t s LYS 13 Ca -0.13 1.36 -0.18 0.00 0.02 0.00 0.00 55.97 57.04 1a6t s LYS 13 Cb -0.08 -2.58 -0.08 0.00 -0.52 0.00 0.00 37.83 34.57 1a6t s LYS 13 CO -0.00 0.06 0.62 -2.30 -0.92 0.00 0.00 175.35 172.81 1a6t n PRO 14 N 0.09 0.60 0.00 -1.68 -0.02 -1.26 -1.75 135.00 130.98 1a6t n PRO 14 Ca 0.04 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1a6t n PRO 14 Cb 0.51 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 1a6t n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a6t n GLY 15 N 1.67 2.76 0.79 -1.23 0.00 0.03 -4.93 105.19 104.27 1a6t n GLY 15 Ca 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 1a6t n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a6t n ALA 16 N -0.48 -0.34 -2.55 4.61 0.00 -0.72 -4.46 120.51 116.57 1a6t n ALA 16 Ca 0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 53.44 53.00 1a6t n ALA 16 Cb 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 19.45 19.33 1a6t n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1a6t s SER 17 N -2.01 0.29 0.02 0.00 1.04 -1.26 -2.39 113.70 109.39 1a6t s SER 17 Ca 0.15 -0.69 -0.06 0.00 0.48 0.00 0.00 55.95 55.84 1a6t s SER 17 Cb -0.00 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.31 1a6t s SER 17 CO 0.11 -0.51 0.10 0.68 0.98 0.00 0.00 173.24 174.60 1a6t s VAL 18 N -2.88 0.10 -0.25 5.02 -7.23 -0.90 -4.95 120.40 109.31 1a6t s VAL 18 Ca -0.03 -0.84 0.02 0.00 -1.81 0.00 0.00 61.98 59.33 1a6t s VAL 18 Cb 0.00 -0.54 0.06 0.00 0.56 0.00 0.00 36.38 36.46 1a6t s VAL 18 CO -0.06 -0.46 -0.10 -0.75 -0.31 0.00 0.00 175.10 173.42 1a6t s LYS 19 N -1.74 2.12 -0.05 4.82 2.20 -1.26 -0.19 119.74 125.64 1a6t s LYS 19 Ca -0.12 -1.26 -0.12 0.00 -0.36 0.00 0.00 55.97 54.10 1a6t s LYS 19 Cb -0.06 -2.82 -0.05 0.00 -1.51 0.00 0.00 37.83 33.39 1a6t s LYS 19 CO -0.00 -0.57 0.31 0.96 -0.36 0.00 0.00 175.35 175.68 1a6t s ILE 20 N 1.17 5.21 0.14 5.43 -4.36 -0.55 -4.93 121.20 123.31 1a6t s ILE 20 Ca -0.08 0.60 0.06 0.00 -0.26 0.00 0.00 60.65 60.96 1a6t s ILE 20 Cb -0.20 -3.60 -0.04 0.00 1.25 0.00 0.00 42.46 39.88 1a6t s ILE 20 CO -0.05 0.59 0.04 -0.94 0.24 0.00 0.00 174.94 174.81 1a6t s SER 21 N -0.99 5.10 -0.41 4.36 1.04 -1.26 -2.16 113.70 119.38 1a6t s SER 21 Ca 0.20 -0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.42 1a6t s SER 21 Cb -0.15 -1.22 0.14 0.00 0.10 0.00 0.00 66.02 64.89 1a6t s SER 21 CO 0.10 0.12 0.24 0.00 0.98 0.00 0.00 173.24 174.68 1a6t s LYS 23 N 0.54 4.12 0.09 0.00 2.47 -0.39 -2.46 119.74 124.11 1a6t s LYS 23 Ca 0.19 1.73 -0.07 0.00 -1.56 0.00 0.00 55.97 56.27 1a6t s LYS 23 Cb -0.21 -3.87 -0.05 0.00 -1.46 0.00 0.00 37.83 32.23 1a6t s LYS 23 CO -0.01 -0.88 0.35 0.00 0.16 0.00 0.00 175.35 174.97 1a6t s ALA 24 N 3.98 3.79 0.18 3.13 0.00 -0.07 -0.07 121.76 132.70 1a6t s ALA 24 Ca 0.62 -0.52 -0.23 0.00 0.00 0.00 0.00 51.96 51.83 1a6t s ALA 24 Cb -0.24 -2.14 0.06 0.00 0.00 0.00 0.00 23.12 20.80 1a6t s ALA 24 CO 0.21 0.64 0.61 -1.54 0.00 0.00 0.00 175.76 175.69 1a6t s SER 25 N -2.04 -0.53 0.00 0.00 1.04 0.75 -4.81 113.70 108.11 1a6t s SER 25 Ca 0.35 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1a6t s SER 25 Cb -0.13 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1a6t s SER 25 CO 0.21 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 174.02 1a6t n GLY 26 N -0.39 0.52 3.90 7.32 0.00 -1.24 -0.82 105.19 114.48 1a6t n GLY 26 Ca -0.15 -0.39 -0.03 0.00 0.00 0.00 0.00 46.02 45.44 1a6t n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1a6t s TYR 27 N -2.00 0.08 -0.55 1.61 1.13 -1.26 -4.27 117.35 112.09 1a6t s TYR 27 Ca 0.00 -0.46 -0.28 0.00 -1.41 0.00 0.00 57.07 54.91 1a6t s TYR 27 Cb 0.00 0.70 0.03 0.00 -1.10 0.00 0.00 41.96 41.59 1a6t s TYR 27 CO 0.00 -0.89 1.16 0.45 -2.51 0.00 0.00 175.55 173.76 1a6t s SER 28 N -3.46 6.49 0.14 -0.18 0.15 -1.26 -4.92 113.70 110.66 1a6t s SER 28 Ca 0.23 0.18 -0.20 0.00 0.70 0.00 0.00 55.95 56.85 1a6t s SER 28 Cb -0.03 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1a6t s SER 28 CO 0.05 -1.40 1.68 0.15 1.20 0.00 0.00 173.24 174.93 1a6t h PHE 29 N 9.44 -0.22 0.00 3.44 3.57 -1.96 -2.75 116.94 128.45 1a6t h PHE 29 Ca -0.24 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1a6t h PHE 29 Cb 1.06 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1a6t h PHE 29 CO 1.01 -0.15 0.00 -1.13 -2.23 0.00 0.00 178.31 175.81 1a6t n SER 30 N -5.25 0.00 -0.85 0.41 3.41 -1.26 -3.07 113.62 107.00 1a6t n SER 30 Ca -0.02 0.06 0.12 0.00 -0.26 0.00 0.00 58.87 58.77 1a6t n SER 30 Cb 0.17 -0.24 0.28 0.00 -0.26 0.00 0.00 64.21 64.17 1a6t n SER 30 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1a6t n THR 31 N -1.24 0.28 -4.11 6.66 -2.24 -1.04 -4.13 114.28 108.46 1a6t n THR 31 Ca 0.05 -0.52 -0.15 0.00 -2.27 0.00 0.00 64.05 61.16 1a6t n THR 31 Cb 0.08 0.79 -0.14 0.00 -2.10 0.00 0.00 70.33 68.95 1a6t n THR 31 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1a6t s TYR 32 N -1.72 0.39 0.25 4.78 2.02 -1.18 -5.10 117.35 116.79 1a6t s TYR 32 Ca 0.35 -0.07 -0.30 0.00 -0.37 0.00 0.00 57.07 56.68 1a6t s TYR 32 Cb 0.20 -0.25 -0.09 0.00 -0.40 0.00 0.00 41.96 41.42 1a6t s TYR 32 CO 0.30 -0.01 1.05 0.71 -1.57 0.00 0.00 175.55 176.03 1a6t s TYR 33 N -0.09 3.70 -0.26 2.71 2.02 -1.26 -4.37 117.35 119.79 1a6t s TYR 33 Ca 0.02 1.74 -0.09 0.00 -0.37 0.00 0.00 57.07 58.37 1a6t s TYR 33 Cb -0.02 -3.20 -0.04 0.00 -0.40 0.00 0.00 41.96 38.31 1a6t s TYR 33 CO -0.00 -0.27 0.12 1.41 -1.57 0.00 0.00 175.55 175.24 1a6t s MET 34 N -1.16 3.75 0.12 -0.62 1.75 -0.25 -3.14 119.30 119.76 1a6t s MET 34 Ca 0.44 -0.43 0.03 0.00 -1.25 0.00 0.00 55.69 54.49 1a6t s MET 34 Cb -0.30 -3.46 -0.04 0.00 2.84 0.00 0.00 34.83 33.88 1a6t s MET 34 CO 0.37 -0.20 0.17 -1.01 -0.65 0.00 0.00 175.02 173.71 1a6t s HIS 35 N 1.67 3.30 -0.14 4.11 3.76 0.15 -0.94 115.29 127.19 1a6t s HIS 35 Ca 0.07 0.08 0.02 0.00 -0.15 0.00 0.00 55.06 55.08 1a6t s HIS 35 Cb -0.16 -1.62 0.01 0.00 1.11 0.00 0.00 32.58 31.93 1a6t s HIS 35 CO 0.06 0.53 -0.19 -1.58 -0.85 0.00 0.00 174.74 172.72 1a6t s TRP 36 N -1.62 2.45 0.17 1.40 0.52 -0.51 -0.72 118.94 120.64 1a6t s TRP 36 Ca 0.32 -1.28 0.09 0.00 0.02 0.00 0.00 56.10 55.25 1a6t s TRP 36 Cb -0.11 -1.71 -0.04 0.00 -1.15 0.00 0.00 33.47 30.46 1a6t s TRP 36 CO 0.25 -0.62 -0.12 0.08 0.02 0.00 0.00 176.95 176.56 1a6t s VAL 37 N 1.03 3.06 -0.05 4.03 1.01 -0.53 -0.58 120.40 128.38 1a6t s VAL 37 Ca -0.03 -1.67 0.05 0.00 0.00 0.00 0.00 61.98 60.32 1a6t s VAL 37 Cb -0.15 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.73 1a6t s VAL 37 CO -0.05 -0.08 -0.19 -0.75 0.00 0.00 0.00 175.10 174.02 1a6t s LYS 38 N -2.72 2.06 -0.31 2.72 2.20 0.11 -1.48 119.74 122.31 1a6t s LYS 38 Ca 0.24 -0.69 0.03 0.00 -0.36 0.00 0.00 55.97 55.18 1a6t s LYS 38 Cb -0.09 -1.75 0.09 0.00 -1.51 0.00 0.00 37.83 34.57 1a6t s LYS 38 CO 0.14 0.26 0.03 -1.14 -0.36 0.00 0.00 175.35 174.29 1a6t s GLN 39 N 0.04 1.39 -0.09 4.03 0.74 0.56 0.05 119.66 126.39 1a6t s GLN 39 Ca -0.05 -1.56 -0.30 0.00 0.05 0.00 0.00 55.36 53.50 1a6t s GLN 39 Cb -0.13 -2.85 -0.02 0.00 1.10 0.00 0.00 33.01 31.11 1a6t s GLN 39 CO 0.03 -0.88 1.20 -1.12 -0.55 0.00 0.00 175.29 173.97 1a6t s SER 40 N 1.13 7.03 -0.29 6.67 0.01 -1.24 -0.59 113.70 126.42 1a6t s SER 40 Ca 0.07 1.75 -0.27 0.00 1.31 0.00 0.00 55.95 58.81 1a6t s SER 40 Cb -0.19 -2.55 -0.12 0.00 0.21 0.00 0.00 66.02 63.38 1a6t s SER 40 CO -0.11 -0.63 1.07 1.41 0.41 0.00 0.00 173.24 175.38 1a6t n HIS 41 N 5.62 0.90 0.00 2.43 -0.00 -1.26 0.13 115.22 123.03 1a6t n HIS 41 Ca 0.12 0.59 0.00 0.00 -0.00 0.00 0.00 57.72 58.43 1a6t n HIS 41 Cb 0.46 -1.33 0.00 0.00 -0.00 0.00 0.00 29.99 29.12 1a6t n HIS 41 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1a6t n GLY 42 N 3.16 2.80 0.33 -1.41 0.00 -1.26 -4.98 105.19 103.83 1a6t n GLY 42 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.24 1a6t n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a6t n LYS 43 N -0.82 0.31 -2.19 1.61 4.76 0.34 -5.12 118.16 117.05 1a6t n LYS 43 Ca 0.00 -0.21 -0.23 0.00 -2.87 0.00 0.00 58.31 55.00 1a6t n LYS 43 Cb 0.00 -0.08 0.13 0.00 -1.84 0.00 0.00 35.03 33.24 1a6t n LYS 43 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1a6t n SER 44 N -3.02 0.89 -4.82 4.39 2.88 -1.26 -4.62 113.62 108.05 1a6t n SER 44 Ca 0.01 -1.86 -0.35 0.00 -1.33 0.00 0.00 58.87 55.35 1a6t n SER 44 Cb 0.05 -0.69 -0.06 0.00 -0.75 0.00 0.00 64.21 62.76 1a6t n SER 44 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1a6t s LEU 45 N 0.00 4.21 -0.06 2.46 1.43 -1.26 -3.66 118.68 121.80 1a6t s LEU 45 Ca 0.63 1.46 -0.02 0.00 -1.03 0.00 0.00 54.13 55.16 1a6t s LEU 45 Cb -0.03 -3.90 0.04 0.00 0.03 0.00 0.00 46.19 42.33 1a6t s LEU 45 CO 0.42 -0.10 0.10 -0.70 0.23 0.00 0.00 176.35 176.31 1a6t s GLU 46 N -2.43 -0.01 0.18 1.70 2.12 0.11 -4.95 118.70 115.41 1a6t s GLU 46 Ca 0.50 0.43 -0.30 0.00 0.36 0.00 0.00 54.97 55.95 1a6t s GLU 46 Cb -0.14 -0.35 -0.08 0.00 0.26 0.00 0.00 34.13 33.82 1a6t s GLU 46 CO 0.19 -0.28 1.13 -0.46 -0.54 0.00 0.00 175.26 175.30 1a6t s TRP 47 N 1.98 3.54 -0.18 5.30 -0.00 -1.26 0.08 118.94 128.40 1a6t s TRP 47 Ca 0.01 1.55 -0.16 0.00 -0.00 0.00 0.00 56.10 57.50 1a6t s TRP 47 Cb -0.12 -3.32 -0.06 0.00 -0.00 0.00 0.00 33.47 29.97 1a6t s TRP 47 CO -0.04 -0.78 -0.31 -0.89 -0.00 0.00 0.00 176.95 174.92 1a6t n ILE 48 N 2.39 1.48 -4.00 5.86 5.41 0.25 -4.67 119.36 126.08 1a6t n ILE 48 Ca 0.03 0.13 0.03 0.00 1.00 0.00 0.00 62.75 63.94 1a6t n ILE 48 Cb 0.46 -2.33 0.01 0.00 -0.71 0.00 0.00 39.64 37.06 1a6t n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1a6t n GLY 49 N 1.48 0.24 3.29 7.39 0.00 -1.18 -1.47 105.19 114.94 1a6t n GLY 49 Ca -0.15 -0.97 -0.15 0.00 0.00 0.00 0.00 46.02 44.75 1a6t n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1a6t s ARG 50 N -2.00 1.33 -0.15 1.61 1.70 0.14 -1.42 118.95 120.16 1a6t s ARG 50 Ca 0.23 -1.70 -0.10 0.00 -0.47 0.00 0.00 55.73 53.68 1a6t s ARG 50 Cb -0.00 -0.18 0.05 0.00 -0.57 0.00 0.00 34.95 34.24 1a6t s ARG 50 CO -0.01 -0.28 0.38 0.08 -1.08 0.00 0.00 175.30 174.38 1a6t s VAL 51 N -3.80 -0.02 -0.73 4.99 1.01 -0.12 -2.75 120.40 118.98 1a6t s VAL 51 Ca 0.36 0.06 -0.25 0.00 0.00 0.00 0.00 61.98 62.15 1a6t s VAL 51 Cb 0.07 -0.55 0.05 0.00 0.00 0.00 0.00 36.38 35.96 1a6t s VAL 51 CO 0.12 0.03 1.15 -0.62 0.00 0.00 0.00 175.10 175.78 1a6t s ASP 52 N 0.92 6.20 0.11 3.32 -1.08 0.77 -1.09 116.67 125.82 1a6t s ASP 52 Ca -0.06 -0.78 0.07 0.00 -0.52 0.00 0.00 52.55 51.25 1a6t s ASP 52 Cb -0.06 -2.50 0.36 0.00 -1.46 0.00 0.00 42.92 39.26 1a6t s ASP 52 CO -0.07 -1.63 1.18 -2.65 0.52 0.00 0.00 175.17 172.51 1a6t n PRO 52 N 8.56 0.04 0.02 4.34 -0.02 -1.26 -0.03 135.00 146.65 1a6t n PRO 52 Ca 0.03 0.52 -0.22 0.00 -2.02 0.00 0.00 63.50 61.81 1a6t n PRO 52 Cb 0.48 -1.68 -0.14 0.00 -0.02 0.00 0.00 33.50 32.14 1a6t n PRO 52 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1a6t h ASP 53 N 0.00 0.42 0.00 2.55 3.58 -1.91 -3.41 116.42 117.65 1a6t h ASP 53 Ca 0.00 -0.87 0.00 0.00 0.42 0.00 0.00 57.03 56.58 1a6t h ASP 53 Cb 0.08 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 40.99 1a6t h ASP 53 CO 0.00 1.65 0.00 -0.46 -2.88 0.00 0.00 179.24 177.55 1a6t n ASN 54 N -3.87 1.38 -0.98 2.28 6.94 -0.95 -5.01 115.26 115.06 1a6t n ASN 54 Ca -0.25 -1.49 -0.12 0.00 -0.02 0.00 0.00 54.58 52.70 1a6t n ASN 54 Cb 0.93 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 38.30 1a6t n ASN 54 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1a6t n GLY 55 N -0.24 1.16 3.78 4.83 0.00 0.96 -5.00 105.19 110.68 1a6t n GLY 55 Ca 0.00 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 1a6t n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a6t s GLY 56 N -2.83 2.86 0.06 -0.02 0.00 -1.23 -4.78 107.32 101.38 1a6t s GLY 56 Ca 0.00 0.32 0.08 0.00 0.00 0.00 0.00 44.72 45.12 1a6t s GLY 56 CO 0.00 0.80 -0.22 -0.51 0.00 0.00 0.00 173.10 173.17 1a6t s THR 57 N -1.21 1.76 -0.07 0.90 -4.23 -1.26 -0.16 115.64 111.36 1a6t s THR 57 Ca 0.37 -1.33 0.04 0.00 -1.18 0.00 0.00 61.69 59.59 1a6t s THR 57 Cb -0.22 -1.54 -0.01 0.00 1.34 0.00 0.00 72.50 72.06 1a6t s THR 57 CO 0.25 0.15 -0.20 -0.55 -0.54 0.00 0.00 174.62 173.73 1a6t s SER 58 N -1.40 3.45 0.22 3.99 0.15 -1.11 -4.98 113.70 114.03 1a6t s SER 58 Ca 0.08 -0.41 0.09 0.00 0.70 0.00 0.00 55.95 56.41 1a6t s SER 58 Cb -0.09 -1.01 -0.05 0.00 -1.71 0.00 0.00 66.02 63.16 1a6t s SER 58 CO 0.03 0.25 -0.16 -0.36 1.20 0.00 0.00 173.24 174.20 1a6t s PHE 59 N -0.17 1.86 -0.85 3.44 0.08 -1.26 0.28 117.98 121.36 1a6t s PHE 59 Ca -0.02 -0.51 -0.17 0.00 0.12 0.00 0.00 56.93 56.35 1a6t s PHE 59 Cb -0.14 -0.85 0.17 0.00 -0.57 0.00 0.00 43.02 41.64 1a6t s PHE 59 CO 0.04 0.45 0.92 1.21 -0.10 0.00 0.00 175.22 177.73 1a6t s ASN 60 N -3.37 6.64 0.00 1.36 2.47 -0.54 -4.94 114.94 116.57 1a6t s ASN 60 Ca 0.24 -2.28 0.00 0.00 0.42 0.00 0.00 52.86 51.24 1a6t s ASN 60 Cb -0.02 -2.30 0.00 0.00 -1.45 0.00 0.00 41.25 37.48 1a6t s ASN 60 CO 0.09 -0.84 0.00 1.67 -3.72 0.00 0.00 177.10 174.30 1a6t n GLN 61 N 5.33 0.00 0.23 0.43 -0.06 -1.26 0.16 117.38 122.21 1a6t n GLN 61 Ca 0.16 0.00 0.16 0.00 -2.00 0.00 0.00 57.00 55.32 1a6t n GLN 61 Cb 0.47 0.00 0.77 0.00 -4.06 0.00 0.00 30.24 27.43 1a6t n GLN 61 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 1a6t h LYS 62 N 0.00 0.00 -0.07 3.69 3.64 -1.95 -2.88 116.57 119.01 1a6t h LYS 62 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1a6t h LYS 62 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1a6t h LYS 62 CO 0.00 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.37 1a6t n PHE 63 N -2.67 0.08 -0.25 1.91 3.72 0.42 -4.75 117.46 115.91 1a6t n PHE 63 Ca -0.01 -0.13 0.05 0.00 -0.05 0.00 0.00 57.45 57.31 1a6t n PHE 63 Cb 0.15 -0.01 0.18 0.00 -0.94 0.00 0.00 39.48 38.86 1a6t n PHE 63 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1a6t h LYS 64 N 1.43 0.42 -0.00 -1.08 1.57 -1.66 -1.24 116.57 116.00 1a6t h LYS 64 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1a6t h LYS 64 Cb 0.40 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1a6t h LYS 64 CO 0.00 0.28 -0.17 0.41 -0.57 0.00 0.00 179.45 179.40 1a6t n GLY 65 N -1.33 -1.27 0.16 3.86 0.00 -1.26 -4.42 105.19 100.94 1a6t n GLY 65 Ca 0.14 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1a6t n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a6t n LYS 66 N -1.34 0.58 -3.42 1.61 5.02 -0.55 -4.78 118.16 115.28 1a6t n LYS 66 Ca 0.09 0.25 -0.36 0.00 -2.02 0.00 0.00 58.31 56.27 1a6t n LYS 66 Cb 0.32 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.80 1a6t n LYS 66 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a6t s ALA 67 N -2.50 3.63 -0.33 7.82 0.00 -0.71 -2.11 121.76 127.57 1a6t s ALA 67 Ca -0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 1a6t s ALA 67 Cb 0.15 -2.46 0.11 0.00 0.00 0.00 0.00 23.12 20.91 1a6t s ALA 67 CO 0.48 0.48 0.13 0.42 0.00 0.00 0.00 175.76 177.27 1a6t s ILE 68 N -1.36 0.69 -0.04 0.00 1.01 -0.94 -4.84 121.20 115.73 1a6t s ILE 68 Ca 0.34 -1.44 -0.26 0.00 0.00 0.00 0.00 60.65 59.29 1a6t s ILE 68 Cb -0.15 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 1a6t s ILE 68 CO 0.18 -0.74 0.82 -0.76 0.00 0.00 0.00 174.94 174.43 1a6t s LEU 69 N 1.51 4.34 0.16 2.97 1.43 -1.26 -2.71 118.68 125.12 1a6t s LEU 69 Ca 0.11 1.38 -0.01 0.00 -1.03 0.00 0.00 54.13 54.58 1a6t s LEU 69 Cb -0.18 -3.28 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 1a6t s LEU 69 CO -0.22 -0.18 0.10 0.42 0.23 0.00 0.00 176.35 176.70 1a6t s THR 70 N 0.91 0.06 0.01 5.49 -4.23 -1.06 -5.01 115.64 111.80 1a6t s THR 70 Ca 0.43 -1.93 -0.08 0.00 -1.18 0.00 0.00 61.69 58.94 1a6t s THR 70 Cb -0.19 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.42 1a6t s THR 70 CO 0.22 -0.27 0.14 0.54 -0.54 0.00 0.00 174.62 174.72 1a6t s VAL 71 N -4.09 0.09 -0.30 2.29 0.11 -1.26 -1.15 120.40 116.08 1a6t s VAL 71 Ca 0.30 -0.74 0.02 0.00 -2.93 0.00 0.00 61.98 58.63 1a6t s VAL 71 Cb 0.07 -0.52 0.09 0.00 -1.53 0.00 0.00 36.38 34.49 1a6t s VAL 71 CO 0.06 -0.41 0.03 -0.62 -3.33 0.00 0.00 175.10 170.84 1a6t s ASP 72 N -1.51 4.34 0.30 3.54 2.15 0.04 -4.99 116.67 120.55 1a6t s ASP 72 Ca -0.13 -1.76 0.01 0.00 0.43 0.00 0.00 52.55 51.10 1a6t s ASP 72 Cb -0.06 -1.31 0.48 0.00 -0.30 0.00 0.00 42.92 41.73 1a6t s ASP 72 CO 0.01 -0.35 1.86 0.11 -0.17 0.00 0.00 175.17 176.63 1a6t h LYS 73 N 7.83 0.74 -1.17 4.34 1.57 -1.85 -1.82 116.57 126.22 1a6t h LYS 73 Ca -0.10 -0.14 0.33 0.00 -1.87 0.00 0.00 60.65 58.87 1a6t h LYS 73 Cb 1.03 -0.12 -0.08 0.00 0.08 0.00 0.00 32.23 33.15 1a6t h LYS 73 CO 0.48 0.67 0.80 0.77 -0.57 0.00 0.00 179.45 181.60 1a6t h SER 74 N 0.72 0.20 0.00 0.86 0.02 -1.95 -2.23 113.55 111.17 1a6t h SER 74 Ca 0.16 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1a6t h SER 74 Cb 0.26 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1a6t h SER 74 CO -0.00 0.01 0.00 -1.20 -1.14 0.00 0.00 176.83 174.50 1a6t n SER 75 N -4.40 0.97 -2.86 3.07 7.64 -1.11 -5.01 113.62 111.91 1a6t n SER 75 Ca 0.27 -1.31 -0.15 0.00 1.01 0.00 0.00 58.87 58.70 1a6t n SER 75 Cb 1.14 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 64.41 1a6t n SER 75 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1a6t n SER 76 N -0.15 -3.21 -4.24 6.43 7.64 -0.74 -4.78 113.62 114.57 1a6t n SER 76 Ca 0.00 -0.45 -0.30 0.00 1.01 0.00 0.00 58.87 59.13 1a6t n SER 76 Cb 0.20 -4.02 -0.16 0.00 -1.01 0.00 0.00 64.21 59.22 1a6t n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1a6t s THR 77 N -3.26 1.88 -0.08 0.44 2.01 -0.85 -0.89 115.64 114.89 1a6t s THR 77 Ca 0.16 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.21 1a6t s THR 77 Cb -0.07 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 1a6t s THR 77 CO 0.56 0.53 -0.17 0.00 -0.69 0.00 0.00 174.62 174.84 1a6t s ALA 78 N -0.21 2.50 0.29 7.40 0.00 -1.03 -0.78 121.76 129.93 1a6t s ALA 78 Ca -0.01 -0.97 0.10 0.00 0.00 0.00 0.00 51.96 51.09 1a6t s ALA 78 Cb -0.12 -0.96 -0.06 0.00 0.00 0.00 0.00 23.12 21.99 1a6t s ALA 78 CO 0.02 0.42 -0.15 0.71 0.00 0.00 0.00 175.76 176.76 1a6t s TYR 79 N -0.23 2.25 -0.22 0.00 1.51 -0.30 0.13 117.35 120.48 1a6t s TYR 79 Ca 0.00 -0.44 -0.04 0.00 -1.01 0.00 0.00 57.07 55.59 1a6t s TYR 79 Cb -0.13 -1.11 0.12 0.00 -0.11 0.00 0.00 41.96 40.72 1a6t s TYR 79 CO 0.03 0.61 0.36 1.41 -1.11 0.00 0.00 175.55 176.85 1a6t s MET 80 N -3.57 0.32 -0.09 -0.62 1.75 -0.92 -2.57 119.30 113.60 1a6t s MET 80 Ca 0.30 0.60 -0.09 0.00 -1.25 0.00 0.00 55.69 55.25 1a6t s MET 80 Cb -0.01 -0.39 -0.05 0.00 2.84 0.00 0.00 34.83 37.22 1a6t s MET 80 CO 0.15 -0.56 0.22 -2.00 -0.65 0.00 0.00 175.02 172.18 1a6t s GLU 81 N 2.53 3.62 -0.18 4.11 2.12 -1.10 -1.48 118.70 128.31 1a6t s GLU 81 Ca 0.09 0.02 -0.01 0.00 0.36 0.00 0.00 54.97 55.44 1a6t s GLU 81 Cb -0.15 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 31.03 1a6t s GLU 81 CO -0.14 0.72 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.65 1a6t s LEU 82 N -0.95 2.49 0.30 2.70 1.43 0.73 -2.21 118.68 123.18 1a6t s LEU 82 Ca 0.17 -0.50 0.07 0.00 -1.03 0.00 0.00 54.13 52.84 1a6t s LEU 82 Cb -0.13 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 1a6t s LEU 82 CO 0.06 0.03 0.35 -0.83 0.23 0.00 0.00 176.35 176.20 1a6t s GLY 82 N 1.12 1.55 -1.18 -3.19 0.00 -0.90 -2.12 107.32 102.61 1a6t s GLY 82 Ca 0.01 -1.47 -0.27 0.00 0.00 0.00 0.00 44.72 42.99 1a6t s GLY 82 CO -0.05 -1.43 0.74 -1.26 0.00 0.00 0.00 173.10 171.11 1a6t n SER 82 N -1.44 -4.75 -4.78 1.64 2.88 -1.23 -4.85 113.62 101.10 1a6t n SER 82 Ca -0.04 -1.14 -0.37 0.00 -1.33 0.00 0.00 58.87 55.99 1a6t n SER 82 Cb 0.58 -2.64 -0.02 0.00 -0.75 0.00 0.00 64.21 61.38 1a6t n SER 82 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1a6t s LEU 82 N -6.91 4.07 0.22 2.46 1.43 -1.01 -4.79 118.68 114.16 1a6t s LEU 82 Ca 0.48 2.18 0.00 0.00 -1.03 0.00 0.00 54.13 55.77 1a6t s LEU 82 Cb -0.21 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 41.76 1a6t s LEU 82 CO 0.91 -0.72 0.16 0.42 0.23 0.00 0.00 176.35 177.35 1a6t s THR 83 N -1.60 0.00 0.39 5.49 -4.23 -1.26 -0.79 115.64 113.64 1a6t s THR 83 Ca 0.61 -1.99 0.10 0.00 -1.18 0.00 0.00 61.69 59.23 1a6t s THR 83 Cb -0.26 -2.50 0.31 0.00 1.34 0.00 0.00 72.50 71.40 1a6t s THR 83 CO 0.31 0.00 1.94 0.28 -0.54 0.00 0.00 174.62 176.62 1a6t h SER 84 N 2.53 0.55 0.16 3.99 0.02 -1.98 0.22 113.55 119.03 1a6t h SER 84 Ca -0.34 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1a6t h SER 84 Cb 1.25 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1a6t h SER 84 CO 0.50 0.33 0.00 1.21 -1.14 0.00 0.00 176.83 177.72 1a6t n GLU 85 N -4.49 0.05 0.00 3.45 4.07 -1.26 -1.09 120.64 121.37 1a6t n GLU 85 Ca 0.12 0.29 0.13 0.00 -0.06 0.00 0.00 57.16 57.64 1a6t n GLU 85 Cb 0.34 -1.50 0.32 0.00 -0.06 0.00 0.00 31.44 30.54 1a6t n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1a6t n ASP 86 N -1.37 1.19 -4.62 4.31 8.00 0.79 -4.81 116.55 120.03 1a6t n ASP 86 Ca 0.02 -1.00 -0.43 0.00 0.71 0.00 0.00 54.79 54.09 1a6t n ASP 86 Cb 0.06 0.19 -0.02 0.00 -0.02 0.00 0.00 41.12 41.32 1a6t n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1a6t s SER 87 N -2.49 6.62 0.21 -2.24 0.01 -0.25 -4.87 113.70 110.70 1a6t s SER 87 Ca 0.24 0.95 -0.21 0.00 1.31 0.00 0.00 55.95 58.24 1a6t s SER 87 Cb 0.19 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.95 1a6t s SER 87 CO 0.52 -1.17 1.02 0.00 0.41 0.00 0.00 173.24 174.02 1a6t s ALA 88 N 4.54 -1.49 -0.22 1.44 0.00 -0.92 -4.45 121.76 120.67 1a6t s ALA 88 Ca 0.54 -0.45 -0.10 0.00 0.00 0.00 0.00 51.96 51.96 1a6t s ALA 88 Cb -0.13 0.77 -0.05 0.00 0.00 0.00 0.00 23.12 23.71 1a6t s ALA 88 CO 0.26 -1.06 0.14 0.08 0.00 0.00 0.00 175.76 175.18 1a6t s VAL 89 N -2.06 5.33 -0.16 0.00 1.01 0.24 -1.20 120.40 123.56 1a6t s VAL 89 Ca 0.22 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.33 1a6t s VAL 89 Cb -0.03 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1a6t s VAL 89 CO 0.06 0.39 -0.03 -0.31 0.00 0.00 0.00 175.10 175.22 1a6t s TYR 90 N 0.71 3.05 0.28 5.22 2.02 -0.37 -0.32 117.35 127.93 1a6t s TYR 90 Ca 0.07 -0.26 0.11 0.00 -0.37 0.00 0.00 57.07 56.63 1a6t s TYR 90 Cb -0.12 -1.97 -0.05 0.00 -0.40 0.00 0.00 41.96 39.42 1a6t s TYR 90 CO 0.01 -0.01 -0.14 0.71 -1.57 0.00 0.00 175.55 174.56 1a6t s TYR 91 N 0.35 2.42 -0.17 2.71 2.02 -0.55 -0.00 117.35 124.13 1a6t s TYR 91 Ca -0.03 -0.29 0.00 0.00 -0.37 0.00 0.00 57.07 56.37 1a6t s TYR 91 Cb -0.14 -1.06 0.04 0.00 -0.40 0.00 0.00 41.96 40.40 1a6t s TYR 91 CO 0.03 0.69 -0.08 0.00 -1.57 0.00 0.00 175.55 174.61 1a6t s ALA 93 N 1.53 2.09 -0.11 0.00 0.00 0.11 -0.94 121.76 124.44 1a6t s ALA 93 Ca 0.01 -1.34 -0.10 0.00 0.00 0.00 0.00 51.96 50.53 1a6t s ALA 93 Cb -0.15 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 1a6t s ALA 93 CO -0.08 0.46 0.22 0.50 0.00 0.00 0.00 175.76 176.85 1a6t s ARG 94 N -1.88 3.78 0.03 0.00 3.52 0.62 -0.68 118.95 124.34 1a6t s ARG 94 Ca 0.10 0.00 0.01 0.00 -0.13 0.00 0.00 55.73 55.72 1a6t s ARG 94 Cb -0.10 -3.27 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 1a6t s ARG 94 CO 0.05 0.61 0.08 0.50 -0.81 0.00 0.00 175.30 175.72 1a6t s ARG 95 N -0.60 2.98 -0.26 5.12 3.52 -1.19 -1.56 118.95 126.97 1a6t s ARG 95 Ca 0.16 -0.58 0.13 0.00 -0.13 0.00 0.00 55.73 55.31 1a6t s ARG 95 Cb -0.13 -2.80 0.47 0.00 -1.56 0.00 0.00 34.95 30.94 1a6t s ARG 95 CO 0.05 0.61 1.17 -0.40 -0.81 0.00 0.00 175.30 175.91 1a6t n ASP 96 N 0.84 3.47 -0.60 -2.12 5.75 -0.78 -4.43 116.55 118.68 1a6t n ASP 96 Ca -0.11 -3.13 -0.06 0.00 -0.01 0.00 0.00 54.79 51.47 1a6t n ASP 96 Cb 0.52 -0.40 -0.02 0.00 -1.03 0.00 0.00 41.12 40.20 1a6t n ASP 96 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1a6t n ASP 97 N -0.66 -3.25 0.16 -1.12 9.92 -1.26 -4.68 116.55 115.67 1a6t n ASP 97 Ca 0.29 0.09 0.00 0.00 -0.53 0.00 0.00 54.79 54.64 1a6t n ASP 97 Cb 0.90 -1.85 0.00 0.00 -0.64 0.00 0.00 41.12 39.53 1a6t n ASP 97 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1a6t n TYR 98 N -3.31 -3.93 -3.91 1.24 4.01 -1.26 -5.18 117.16 104.82 1a6t n TYR 98 Ca -0.07 1.09 -0.11 0.00 -0.16 0.00 0.00 57.90 58.65 1a6t n TYR 98 Cb 0.36 2.86 0.00 0.00 -0.31 0.00 0.00 39.34 42.25 1a6t n TYR 98 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 1a6t s TYR 99 N -2.00 0.50 -0.81 -0.72 1.13 -1.26 -5.10 117.35 109.09 1a6t s TYR 99 Ca 0.00 -1.03 -0.26 0.00 -1.41 0.00 0.00 57.07 54.37 1a6t s TYR 99 Cb 0.00 0.51 0.03 0.00 -1.10 0.00 0.00 41.96 41.40 1a6t s TYR 99 CO 0.00 -1.45 1.38 -0.06 -2.51 0.00 0.00 175.55 172.91 1a6t s PHE 100 N -2.43 2.29 -1.06 -3.49 0.08 -1.26 -1.87 117.98 110.24 1a6t s PHE 100 Ca 0.21 -0.18 0.25 0.00 0.12 0.00 0.00 56.93 57.34 1a6t s PHE 100 Cb -0.03 -4.60 0.60 0.00 -0.57 0.00 0.00 43.02 38.41 1a6t s PHE 100 CO 0.15 -2.05 1.48 -0.40 -0.10 0.00 0.00 175.22 174.30 1a6t n ASP 101 N 9.59 0.49 -3.72 1.36 5.75 -0.60 -4.85 116.55 124.57 1a6t n ASP 101 Ca 0.13 -0.23 -0.12 0.00 -0.01 0.00 0.00 54.79 54.56 1a6t n ASP 101 Cb 0.50 0.17 -0.11 0.00 -1.03 0.00 0.00 41.12 40.65 1a6t n ASP 101 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1a6t s PHE 102 N -2.96 -0.48 0.08 2.11 0.08 -1.24 -5.00 117.98 110.57 1a6t s PHE 102 Ca 0.12 1.07 0.06 0.00 0.12 0.00 0.00 56.93 58.31 1a6t s PHE 102 Cb 0.18 0.18 -0.03 0.00 -0.57 0.00 0.00 43.02 42.77 1a6t s PHE 102 CO 0.67 -0.28 -0.17 -1.58 -0.10 0.00 0.00 175.22 173.76 1a6t s TRP 103 N 1.09 1.45 0.97 0.36 0.52 -1.26 -0.28 118.94 121.80 1a6t s TRP 103 Ca -0.07 -0.43 -0.15 0.00 0.02 0.00 0.00 56.10 55.46 1a6t s TRP 103 Cb -0.08 -0.81 0.18 0.00 -1.15 0.00 0.00 33.47 31.62 1a6t s TRP 103 CO -0.09 0.11 1.23 0.20 0.02 0.00 0.00 176.95 178.42 1a6t s GLY 104 N -1.74 1.67 0.00 0.98 0.00 -0.11 -4.70 107.32 103.42 1a6t s GLY 104 Ca 0.02 -0.94 0.26 0.00 0.00 0.00 0.00 44.72 44.06 1a6t s GLY 104 CO 0.03 -0.23 1.88 0.61 0.00 0.00 0.00 173.10 175.39 1a6t n GLN 105 N -3.88 0.26 0.00 2.90 0.00 -1.25 -4.77 117.38 110.63 1a6t n GLN 105 Ca 0.12 0.04 0.00 0.00 0.00 0.00 0.00 57.00 57.16 1a6t n GLN 105 Cb 0.60 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.34 1a6t n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1a6t n GLY 106 N 1.03 0.38 2.75 2.61 0.00 -1.26 -5.00 105.19 105.70 1a6t n GLY 106 Ca 0.11 -1.74 -0.28 0.00 0.00 0.00 0.00 46.02 44.11 1a6t n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a6t s THR 107 N -2.85 0.58 -0.17 2.61 2.01 0.99 -4.82 115.64 113.99 1a6t s THR 107 Ca 0.00 -0.56 -0.29 0.00 0.31 0.00 0.00 61.69 61.15 1a6t s THR 107 Cb 0.00 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.44 1a6t s THR 107 CO 0.00 -0.17 1.32 -0.55 -0.69 0.00 0.00 174.62 174.53 1a6t s SER 108 N 1.83 6.87 -0.14 3.53 0.15 -1.26 -1.24 113.70 123.44 1a6t s SER 108 Ca -0.01 1.69 0.00 0.00 0.70 0.00 0.00 55.95 58.33 1a6t s SER 108 Cb -0.17 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.60 1a6t s SER 108 CO -0.08 -0.83 -0.15 -0.22 1.20 0.00 0.00 173.24 173.17 1a6t s LEU 109 N 3.71 2.55 -0.17 3.45 2.96 -0.34 -1.20 118.68 129.65 1a6t s LEU 109 Ca 0.57 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.07 1a6t s LEU 109 Cb -0.22 -1.58 0.02 0.00 0.50 0.00 0.00 46.19 44.91 1a6t s LEU 109 CO 0.17 0.12 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.24 1a6t s THR 110 N 0.63 1.94 -0.38 3.68 2.01 -0.57 -2.17 115.64 120.79 1a6t s THR 110 Ca -0.08 -0.87 -0.07 0.00 0.31 0.00 0.00 61.69 60.98 1a6t s THR 110 Cb -0.16 -1.76 0.07 0.00 0.01 0.00 0.00 72.50 70.66 1a6t s THR 110 CO 0.03 0.52 0.18 -0.69 -0.69 0.00 0.00 174.62 173.97 1a6t s VAL 111 N 1.27 3.86 0.05 3.82 1.01 -1.25 -0.76 120.40 128.39 1a6t s VAL 111 Ca 0.03 -1.41 -0.14 0.00 0.00 0.00 0.00 61.98 60.47 1a6t s VAL 111 Cb -0.13 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 32.93 1a6t s VAL 111 CO -0.11 -0.40 0.30 -0.55 0.00 0.00 0.00 175.10 174.34 1a6t s SER 112 N 1.78 -0.11 0.05 3.32 0.15 -0.05 -4.35 113.70 114.48 1a6t s SER 112 Ca 0.02 -0.23 0.26 0.00 0.70 0.00 0.00 55.95 56.70 1a6t s SER 112 Cb -0.22 0.36 0.63 0.00 -1.71 0.00 0.00 66.02 65.08 1a6t s SER 112 CO 0.01 -0.63 1.51 -1.20 1.20 0.00 0.00 173.24 174.13 1a6t n SER 113 N 0.50 0.48 -4.76 5.45 7.64 -1.26 -3.86 113.62 117.80 1a6t n SER 113 Ca -0.18 0.06 -0.35 0.00 1.01 0.00 0.00 58.87 59.41 1a6t n SER 113 Cb 0.60 0.01 0.03 0.00 -1.01 0.00 0.00 64.21 63.83 1a6t n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a6t s ALA 114 N -3.05 2.55 -0.04 -0.43 0.00 -1.26 -5.04 121.76 114.48 1a6t s ALA 114 Ca 0.10 0.80 -0.13 0.00 0.00 0.00 0.00 51.96 52.74 1a6t s ALA 114 Cb 0.16 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 1a6t s ALA 114 CO 0.67 -1.09 0.33 -1.59 0.00 0.00 0.00 175.76 174.07 1a6t s LYS 115 N -3.56 3.81 0.15 0.00 -2.85 -1.26 -5.04 119.74 110.99 1a6t s LYS 115 Ca 0.72 0.25 -0.31 0.00 -1.00 0.00 0.00 55.97 55.63 1a6t s LYS 115 Cb -0.25 -3.23 -0.10 0.00 -2.06 0.00 0.00 37.83 32.19 1a6t s LYS 115 CO 0.34 0.68 1.66 0.95 0.10 0.00 0.00 175.35 179.08 1a6t s THR 116 N -0.96 2.51 -0.11 3.79 -4.23 -1.26 -4.70 115.64 110.68 1a6t s THR 116 Ca 0.21 0.28 0.02 0.00 -1.18 0.00 0.00 61.69 61.02 1a6t s THR 116 Cb -0.15 -3.18 0.01 0.00 1.34 0.00 0.00 72.50 70.52 1a6t s THR 116 CO 0.10 0.01 -0.16 -0.89 -0.54 0.00 0.00 174.62 173.15 1a6t s THR 117 N 1.63 1.54 0.34 3.99 2.01 -1.26 -4.92 115.64 118.97 1a6t s THR 117 Ca 0.74 -0.66 -0.29 0.00 0.31 0.00 0.00 61.69 61.78 1a6t s THR 117 Cb -0.45 -1.40 -0.11 0.00 0.01 0.00 0.00 72.50 70.54 1a6t s THR 117 CO 0.32 0.45 1.52 -2.65 -0.69 0.00 0.00 174.62 173.57 1a6t n PRO 118 N 4.22 2.64 -1.40 4.92 -0.02 -1.26 -2.87 135.00 141.23 1a6t n PRO 118 Ca -0.19 0.93 -0.30 0.00 -2.02 0.00 0.00 63.50 61.92 1a6t n PRO 118 Cb 0.51 -2.68 0.11 0.00 -0.02 0.00 0.00 33.50 31.43 1a6t n PRO 118 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1a6t s PRO 119 N -1.36 1.75 -0.22 0.52 0.04 -1.26 -4.51 135.00 129.95 1a6t s PRO 119 Ca 0.58 0.73 -0.01 0.00 0.04 0.00 0.00 61.00 62.34 1a6t s PRO 119 Cb -0.49 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.20 1a6t s PRO 119 CO 0.57 -1.88 -0.10 -1.12 0.04 0.00 0.00 177.00 174.51 1a6t s SER 120 N -3.69 3.96 -0.21 6.66 0.01 0.17 -4.97 113.70 115.62 1a6t s SER 120 Ca 0.62 -0.78 -0.08 0.00 1.31 0.00 0.00 55.95 57.02 1a6t s SER 120 Cb -0.16 -1.61 -0.04 0.00 0.21 0.00 0.00 66.02 64.42 1a6t s SER 120 CO 0.55 -0.08 0.09 -0.69 0.41 0.00 0.00 173.24 173.53 1a6t s VAL 121 N 1.32 4.84 -0.07 3.43 1.01 -1.26 -0.61 120.40 129.06 1a6t s VAL 121 Ca 0.02 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.02 1a6t s VAL 121 Cb -0.15 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.01 1a6t s VAL 121 CO -0.07 0.40 -0.15 -0.31 0.00 0.00 0.00 175.10 174.97 1a6t s TYR 122 N 0.86 1.71 0.21 5.22 2.02 0.21 -4.99 117.35 122.59 1a6t s TYR 122 Ca 0.05 -0.65 -0.30 0.00 -0.37 0.00 0.00 57.07 55.80 1a6t s TYR 122 Cb -0.13 -1.22 -0.08 0.00 -0.40 0.00 0.00 41.96 40.13 1a6t s TYR 122 CO 0.03 -0.31 1.00 -1.25 -1.57 0.00 0.00 175.55 173.45 1a6t s PRO 123 N 0.58 4.74 -0.63 -1.71 0.04 -1.26 -0.32 135.00 136.44 1a6t s PRO 123 Ca -0.16 1.58 -0.04 0.00 0.04 0.00 0.00 61.00 62.42 1a6t s PRO 123 Cb -0.16 -3.29 0.16 0.00 0.04 0.00 0.00 34.50 31.25 1a6t s PRO 123 CO 0.05 0.32 0.46 -0.51 0.04 0.00 0.00 177.00 177.35 1a6t s LEU 124 N -0.81 5.41 0.13 -3.56 1.43 -0.21 -4.91 118.68 116.15 1a6t s LEU 124 Ca 0.44 -2.76 -0.19 0.00 -1.03 0.00 0.00 54.13 50.59 1a6t s LEU 124 Cb -0.27 -1.89 -0.07 0.00 0.03 0.00 0.00 46.19 43.98 1a6t s LEU 124 CO 0.34 -0.41 0.62 0.00 0.23 0.00 0.00 176.35 177.13 1a6t s ALA 125 N 0.08 3.53 0.61 4.21 0.00 -1.26 -0.94 121.76 127.98 1a6t s ALA 125 Ca 0.16 0.08 -0.19 0.00 0.00 0.00 0.00 51.96 52.01 1a6t s ALA 125 Cb -0.20 -2.70 -0.02 0.00 0.00 0.00 0.00 23.12 20.20 1a6t s ALA 125 CO -0.04 0.38 1.30 -2.14 0.00 0.00 0.00 175.76 175.26 1a6t s PRO 126 N -1.44 2.77 -0.62 0.00 0.02 -1.26 -4.87 135.00 129.60 1a6t s PRO 126 Ca 0.34 2.07 -0.27 0.00 0.02 0.00 0.00 61.00 63.17 1a6t s PRO 126 Cb -0.19 -1.97 -0.01 0.00 0.02 0.00 0.00 34.50 32.36 1a6t s PRO 126 CO 0.20 -1.43 1.69 0.54 -0.33 0.00 0.00 177.00 177.68 1a6t s VAL 127 N -1.40 3.48 -1.65 3.83 0.11 -1.26 -4.27 120.40 119.24 1a6t s VAL 127 Ca 0.79 0.30 -0.09 0.00 -2.93 0.00 0.00 61.98 60.05 1a6t s VAL 127 Cb -0.37 -4.19 0.09 0.00 -1.53 0.00 0.00 36.38 30.38 1a6t s VAL 127 CO 0.41 -1.12 0.31 0.00 -3.33 0.00 0.00 175.10 171.37 1a6t n GLY 129 N -1.92 1.20 7.00 0.00 0.00 -1.26 -5.10 105.19 105.10 1a6t n GLY 129 Ca -0.15 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1a6t n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a6t n GLY 130 N 0.00 3.33 0.00 -0.02 0.00 -1.24 -4.75 105.19 102.51 1a6t n GLY 130 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1a6t n GLY 130 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a6t n THR 131 N 0.00 0.00 0.00 2.61 -1.04 -1.26 -4.95 114.28 109.64 1a6t n THR 131 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1a6t n THR 131 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1a6t n THR 131 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1a6t n THR 132 N 0.00 0.00 -1.74 12.58 -2.24 -1.26 -4.12 114.28 117.50 1a6t n THR 132 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1a6t n THR 132 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1a6t n THR 132 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1a6t s GLY 133 N -0.09 -0.01 -1.99 3.38 0.00 -1.26 -1.16 107.32 106.19 1a6t s GLY 133 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.69 1a6t s GLY 133 CO 0.00 3.81 0.00 -1.26 0.00 0.00 0.00 173.10 175.65 1a6t n SER 134 N 13.90 -5.47 -2.56 1.64 2.88 -1.26 -4.29 113.62 118.46 1a6t n SER 134 Ca 0.30 0.35 -0.04 0.00 -1.33 0.00 0.00 58.87 58.15 1a6t n SER 134 Cb 0.52 -4.65 -0.03 0.00 -0.75 0.00 0.00 64.21 59.30 1a6t n SER 134 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1a6t n SER 135 N -1.37 -2.94 -1.77 -3.46 3.41 -0.31 -4.20 113.62 102.99 1a6t n SER 135 Ca -0.21 1.29 -0.01 0.00 -0.26 0.00 0.00 58.87 59.68 1a6t n SER 135 Cb 0.66 -5.02 -0.01 0.00 -0.26 0.00 0.00 64.21 59.59 1a6t n SER 135 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1a6t n VAL 136 N 1.26 -5.00 -3.48 -3.33 0.31 -1.26 -2.09 118.33 104.74 1a6t n VAL 136 Ca -0.26 0.58 -0.37 0.00 -0.01 0.00 0.00 64.34 64.28 1a6t n VAL 136 Cb 0.40 -4.39 -0.07 0.00 -0.91 0.00 0.00 33.84 28.88 1a6t n VAL 136 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1a6t s THR 137 N -0.24 5.24 0.38 2.52 2.01 -1.26 -2.63 115.64 121.66 1a6t s THR 137 Ca -0.05 0.70 0.08 0.00 0.31 0.00 0.00 61.69 62.73 1a6t s THR 137 Cb 0.00 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 1a6t s THR 137 CO 0.19 0.41 0.14 -0.76 -0.69 0.00 0.00 174.62 173.90 1a6t s LEU 138 N 0.23 3.14 0.24 4.42 1.43 0.71 -4.57 118.68 124.28 1a6t s LEU 138 Ca 0.20 -0.96 0.02 0.00 -1.03 0.00 0.00 54.13 52.35 1a6t s LEU 138 Cb -0.14 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 1a6t s LEU 138 CO 0.07 -0.41 0.17 -0.83 0.23 0.00 0.00 176.35 175.59 1a6t s GLY 139 N -3.85 1.72 -0.28 -3.19 0.00 -0.12 -1.84 107.32 99.75 1a6t s GLY 139 Ca 0.39 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 43.30 1a6t s GLY 139 CO 0.22 -1.43 0.53 0.00 0.00 0.00 0.00 173.10 172.42 1a6t s LEU 141 N 2.75 4.05 -0.43 0.00 2.96 0.56 -1.78 118.68 126.80 1a6t s LEU 141 Ca 0.16 0.30 -0.10 0.00 -0.22 0.00 0.00 54.13 54.28 1a6t s LEU 141 Cb -0.14 -2.46 0.08 0.00 0.50 0.00 0.00 46.19 44.18 1a6t s LEU 141 CO -0.22 -0.20 0.28 -0.69 -1.32 0.00 0.00 176.35 174.20 1a6t s VAL 142 N 2.11 4.32 0.10 1.68 1.01 0.14 -0.62 120.40 129.15 1a6t s VAL 142 Ca 0.16 -1.40 0.10 0.00 0.00 0.00 0.00 61.98 60.83 1a6t s VAL 142 Cb -0.16 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1a6t s VAL 142 CO 0.10 -0.54 -0.25 -0.75 0.00 0.00 0.00 175.10 173.66 1a6t s LYS 143 N 1.44 1.42 -1.02 2.72 2.20 0.22 -0.16 119.74 126.57 1a6t s LYS 143 Ca 0.03 -1.24 -0.05 0.00 -0.36 0.00 0.00 55.97 54.35 1a6t s LYS 143 Cb -0.23 -1.79 -0.06 0.00 -1.51 0.00 0.00 37.83 34.23 1a6t s LYS 143 CO 0.02 0.43 0.89 0.41 -0.36 0.00 0.00 175.35 176.75 1a6t n GLY 144 N 1.17 -1.17 3.30 5.54 0.00 -1.11 0.42 105.19 113.35 1a6t n GLY 144 Ca -0.18 0.57 -0.18 0.00 0.00 0.00 0.00 46.02 46.23 1a6t n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1a6t s TYR 145 N -3.35 1.58 -0.02 1.61 1.13 -1.11 -4.21 117.35 112.98 1a6t s TYR 145 Ca 0.41 -0.57 -0.07 0.00 -1.41 0.00 0.00 57.07 55.43 1a6t s TYR 145 Cb -0.05 -0.78 -0.02 0.00 -1.10 0.00 0.00 41.96 40.00 1a6t s TYR 145 CO 0.74 0.25 -0.14 0.34 -2.51 0.00 0.00 175.55 174.23 1a6t n PHE 146 N 0.04 0.00 -1.51 -3.49 7.35 -1.14 0.64 117.46 119.35 1a6t n PHE 146 Ca -0.11 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.16 1a6t n PHE 146 Cb 0.59 -0.21 -0.07 0.00 0.35 0.00 0.00 39.48 40.14 1a6t n PHE 146 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1a6t n PRO 147 N -3.85 0.88 -0.29 -7.13 -0.02 -1.26 -4.68 135.00 118.65 1a6t n PRO 147 Ca -0.07 0.12 -0.01 0.00 -2.02 0.00 0.00 63.50 61.52 1a6t n PRO 147 Cb 0.23 -2.70 0.02 0.00 -0.02 0.00 0.00 33.50 31.03 1a6t n PRO 147 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1a6t n GLU 148 N 8.64 -0.19 -1.61 -0.52 4.07 -1.26 -4.48 120.64 125.29 1a6t n GLU 148 Ca 0.44 1.14 -0.43 0.00 -0.06 0.00 0.00 57.16 58.26 1a6t n GLU 148 Cb 0.33 -1.69 -0.03 0.00 -0.06 0.00 0.00 31.44 29.99 1a6t n GLU 148 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1a6t n PRO 149 N -5.08 2.09 -4.03 5.31 -0.02 -1.26 -4.94 135.00 127.07 1a6t n PRO 149 Ca 0.07 0.60 -0.15 0.00 -2.02 0.00 0.00 63.50 62.00 1a6t n PRO 149 Cb 0.29 -3.21 -0.15 0.00 -0.02 0.00 0.00 33.50 30.41 1a6t n PRO 149 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1a6t s VAL 150 N 7.83 0.24 -0.14 -1.45 0.11 -1.26 -4.54 120.40 121.19 1a6t s VAL 150 Ca 0.99 -0.09 -0.03 0.00 -2.93 0.00 0.00 61.98 59.92 1a6t s VAL 150 Cb -0.35 -0.24 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 1a6t s VAL 150 CO 0.36 0.09 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.29 1a6t s THR 151 N 0.19 3.84 -0.13 5.04 2.01 0.66 -4.95 115.64 122.31 1a6t s THR 151 Ca -0.02 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.61 1a6t s THR 151 Cb -0.04 -2.67 0.02 0.00 0.01 0.00 0.00 72.50 69.82 1a6t s THR 151 CO -0.00 0.51 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.09 1a6t s LEU 152 N 0.23 1.55 0.32 4.42 2.96 -1.26 -0.81 118.68 126.09 1a6t s LEU 152 Ca -0.03 -0.42 0.06 0.00 -0.22 0.00 0.00 54.13 53.52 1a6t s LEU 152 Cb -0.14 -1.06 -0.06 0.00 0.50 0.00 0.00 46.19 45.42 1a6t s LEU 152 CO 0.03 -0.06 -0.00 0.42 -1.32 0.00 0.00 176.35 175.42 1a6t s THR 153 N 1.45 1.54 -0.01 3.68 -4.23 -0.55 -4.96 115.64 112.57 1a6t s THR 153 Ca 0.03 -2.06 0.07 0.00 -1.18 0.00 0.00 61.69 58.55 1a6t s THR 153 Cb -0.13 -2.68 -0.02 0.00 1.34 0.00 0.00 72.50 71.01 1a6t s THR 153 CO -0.08 -0.14 -0.23 0.26 -0.54 0.00 0.00 174.62 173.89 1a6t s TRP 154 N -3.06 2.43 -1.40 3.99 0.52 -1.26 -0.23 118.94 119.93 1a6t s TRP 154 Ca 0.33 -0.36 -0.15 0.00 0.02 0.00 0.00 56.10 55.94 1a6t s TRP 154 Cb 0.07 -1.51 0.02 0.00 -1.15 0.00 0.00 33.47 30.90 1a6t s TRP 154 CO 0.14 0.06 0.32 0.09 0.02 0.00 0.00 176.95 177.58 1a6t n ASN 155 N 2.24 -1.35 -3.41 2.95 3.02 0.12 -0.07 115.26 118.76 1a6t n ASN 155 Ca -0.16 -1.27 -0.24 0.00 -0.03 0.00 0.00 54.58 52.88 1a6t n ASN 155 Cb 0.51 -1.73 -0.01 0.00 -0.61 0.00 0.00 39.78 37.95 1a6t n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1a6t n SER 156 N -2.58 -3.42 0.00 6.41 7.64 -1.26 -0.87 113.62 119.54 1a6t n SER 156 Ca -0.23 -0.41 0.00 0.00 1.01 0.00 0.00 58.87 59.24 1a6t n SER 156 Cb 0.64 -2.85 0.00 0.00 -1.01 0.00 0.00 64.21 60.99 1a6t n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a6t n GLY 157 N -1.13 2.14 0.08 0.23 0.00 0.90 -4.94 105.19 102.46 1a6t n GLY 157 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 1a6t n GLY 157 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a6t h SER 158 N 0.00 0.13 -3.27 1.61 0.02 -0.87 -3.38 113.55 107.79 1a6t h SER 158 Ca 0.00 -0.07 -0.57 0.00 -0.84 0.00 0.00 61.79 60.31 1a6t h SER 158 Cb 0.00 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.45 1a6t h SER 158 CO 0.00 0.16 0.94 -0.76 -1.14 0.00 0.00 176.83 176.04 1a6t s LEU 159 N -10.04 3.83 0.00 5.07 1.02 -1.16 -4.78 118.68 112.62 1a6t s LEU 159 Ca -0.13 1.04 0.00 0.00 0.02 0.00 0.00 54.13 55.05 1a6t s LEU 159 Cb 0.07 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.73 1a6t s LEU 159 CO 0.68 -1.09 0.00 -1.20 0.02 0.00 0.00 176.35 174.76 1a6t n SER 160 N 7.58 1.94 -4.79 2.29 7.64 -1.26 -4.27 113.62 122.74 1a6t n SER 160 Ca 0.14 -0.08 -0.36 0.00 1.01 0.00 0.00 58.87 59.57 1a6t n SER 160 Cb 0.47 0.55 -0.07 0.00 -1.01 0.00 0.00 64.21 64.15 1a6t n SER 160 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1a6t s SER 161 N -0.94 5.90 0.00 6.43 1.04 -1.26 -4.25 113.70 120.62 1a6t s SER 161 Ca 0.00 0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.76 1a6t s SER 161 Cb 0.00 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.30 1a6t s SER 161 CO 0.00 0.39 0.00 0.61 0.98 0.00 0.00 173.24 175.22 1a6t n GLY 162 N 2.08 0.71 3.74 7.32 0.00 -1.26 -4.72 105.19 113.07 1a6t n GLY 162 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 1a6t n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a6t s VAL 163 N -2.69 4.92 -0.37 1.61 1.01 -1.26 -2.29 120.40 121.33 1a6t s VAL 163 Ca 0.00 1.37 0.01 0.00 0.00 0.00 0.00 61.98 63.36 1a6t s VAL 163 Cb 0.00 -4.00 0.12 0.00 0.00 0.00 0.00 36.38 32.50 1a6t s VAL 163 CO 0.00 0.35 0.16 -1.00 0.00 0.00 0.00 175.10 174.61 1a6t s HIS 164 N 0.17 1.82 -0.30 5.22 3.76 -0.55 -4.97 115.29 120.44 1a6t s HIS 164 Ca 0.34 -2.06 -0.24 0.00 -0.15 0.00 0.00 55.06 52.96 1a6t s HIS 164 Cb -0.18 -1.78 0.00 0.00 1.11 0.00 0.00 32.58 31.73 1a6t s HIS 164 CO 0.18 -0.84 0.80 0.99 -0.85 0.00 0.00 174.74 175.03 1a6t s THR 165 N 1.03 4.79 0.11 1.30 2.01 -1.26 -2.14 115.64 121.47 1a6t s THR 165 Ca 0.14 1.25 -0.26 0.00 0.31 0.00 0.00 61.69 63.13 1a6t s THR 165 Cb -0.21 -4.15 -0.07 0.00 0.01 0.00 0.00 72.50 68.08 1a6t s THR 165 CO -0.12 -0.24 0.82 -0.36 -0.69 0.00 0.00 174.62 174.03 1a6t s PHE 166 N 2.97 3.82 0.37 4.92 0.08 0.38 -5.00 117.98 125.52 1a6t s PHE 166 Ca 0.33 1.61 -0.28 0.00 0.12 0.00 0.00 56.93 58.72 1a6t s PHE 166 Cb -0.14 -2.86 -0.10 0.00 -0.57 0.00 0.00 43.02 39.35 1a6t s PHE 166 CO 0.12 0.35 1.35 -1.25 -0.10 0.00 0.00 175.22 175.68 1a6t s PRO 167 N -0.46 4.16 0.68 0.24 0.04 -1.26 -4.20 135.00 134.20 1a6t s PRO 167 Ca 0.39 2.27 -0.17 0.00 0.04 0.00 0.00 61.00 63.54 1a6t s PRO 167 Cb -0.22 -2.93 0.01 0.00 0.04 0.00 0.00 34.50 31.39 1a6t s PRO 167 CO 0.26 -0.38 1.28 0.00 0.04 0.00 0.00 177.00 178.20 1a6t s ALA 168 N -1.18 2.25 -0.16 8.56 0.00 -1.26 -4.88 121.76 125.09 1a6t s ALA 168 Ca 0.53 1.15 -0.00 0.00 0.00 0.00 0.00 51.96 53.63 1a6t s ALA 168 Cb -0.41 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.20 1a6t s ALA 168 CO 0.54 -1.77 -0.08 0.08 0.00 0.00 0.00 175.76 174.53 1a6t s VAL 169 N -1.54 1.24 -0.04 0.00 1.01 -0.71 -4.94 120.40 115.43 1a6t s VAL 169 Ca 0.81 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 1a6t s VAL 169 Cb -0.36 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 1a6t s VAL 169 CO 0.42 0.22 1.46 -0.22 0.00 0.00 0.00 175.10 176.99 1a6t s LEU 170 N 1.59 4.30 -0.18 3.92 2.96 -1.26 -2.57 118.68 127.43 1a6t s LEU 170 Ca 0.02 2.10 -0.02 0.00 -0.22 0.00 0.00 54.13 56.01 1a6t s LEU 170 Cb -0.15 -3.55 0.05 0.00 0.50 0.00 0.00 46.19 43.05 1a6t s LEU 170 CO -0.08 -0.79 0.01 -1.58 -1.32 0.00 0.00 176.35 172.58 1a6t s GLN 171 N 3.06 0.88 -1.42 1.98 2.00 0.42 -4.83 119.66 121.74 1a6t s GLN 171 Ca 0.66 -0.44 -0.09 0.00 -2.00 0.00 0.00 55.36 53.48 1a6t s GLN 171 Cb -0.31 -2.02 0.04 0.00 0.80 0.00 0.00 33.01 31.53 1a6t s GLN 171 CO 0.26 -0.56 1.01 0.43 -0.50 0.00 0.00 175.29 175.92 1a6t n SER 172 N 4.99 -4.59 -0.75 6.67 7.64 -1.26 -1.44 113.62 124.88 1a6t n SER 172 Ca -0.10 -0.70 -0.10 0.00 1.01 0.00 0.00 58.87 58.99 1a6t n SER 172 Cb 0.47 -4.36 -0.04 0.00 -1.01 0.00 0.00 64.21 59.27 1a6t n SER 172 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a6t n GLY 173 N -1.74 1.11 2.81 0.23 0.00 -1.26 -4.99 105.19 101.35 1a6t n GLY 173 Ca -0.04 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.40 1a6t n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a6t s LEU 174 N -2.23 1.16 0.27 0.99 1.43 -0.52 -4.76 118.68 115.01 1a6t s LEU 174 Ca 0.00 -0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 53.03 1a6t s LEU 174 Cb 0.00 -0.18 -0.06 0.00 0.03 0.00 0.00 46.19 45.99 1a6t s LEU 174 CO 0.00 -0.11 0.54 -0.31 0.23 0.00 0.00 176.35 176.70 1a6t s TYR 175 N 1.01 3.47 -0.03 0.29 2.02 0.21 -0.44 117.35 123.88 1a6t s TYR 175 Ca -0.10 0.69 0.03 0.00 -0.37 0.00 0.00 57.07 57.32 1a6t s TYR 175 Cb -0.13 -2.13 -0.00 0.00 -0.40 0.00 0.00 41.96 39.29 1a6t s TYR 175 CO -0.02 0.21 -0.12 0.99 -1.57 0.00 0.00 175.55 175.04 1a6t s THR 176 N -2.00 1.03 0.03 -0.71 2.01 -1.06 -2.73 115.64 112.21 1a6t s THR 176 Ca 0.44 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1a6t s THR 176 Cb -0.11 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 1a6t s THR 176 CO 0.28 0.31 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.26 1a6t s LEU 177 N 0.07 2.32 -0.00 4.42 0.20 0.77 -1.73 118.68 124.73 1a6t s LEU 177 Ca -0.02 -0.67 -0.10 0.00 0.69 0.00 0.00 54.13 54.04 1a6t s LEU 177 Cb -0.09 0.09 0.01 0.00 -0.43 0.00 0.00 46.19 45.77 1a6t s LEU 177 CO 0.01 -0.38 0.19 -0.94 -0.29 0.00 0.00 176.35 174.94 1a6t s SER 178 N -1.95 -0.04 0.01 3.68 1.04 -1.26 0.29 113.70 115.47 1a6t s SER 178 Ca -0.08 -0.13 0.02 0.00 0.48 0.00 0.00 55.95 56.25 1a6t s SER 178 Cb -0.04 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.31 1a6t s SER 178 CO -0.03 -0.40 -0.06 -0.55 0.98 0.00 0.00 173.24 173.17 1a6t s SER 179 N -1.40 0.72 0.27 7.02 0.15 -0.73 -0.47 113.70 119.26 1a6t s SER 179 Ca -0.14 -0.25 0.11 0.00 0.70 0.00 0.00 55.95 56.37 1a6t s SER 179 Cb -0.07 -0.04 -0.05 0.00 -1.71 0.00 0.00 66.02 64.15 1a6t s SER 179 CO 0.02 -0.02 -0.17 -0.94 1.20 0.00 0.00 173.24 173.33 1a6t s SER 180 N -0.60 3.34 -0.12 5.45 1.04 -0.91 -1.64 113.70 120.26 1a6t s SER 180 Ca -0.02 -1.05 -0.05 0.00 0.48 0.00 0.00 55.95 55.31 1a6t s SER 180 Cb -0.05 -0.26 0.06 0.00 0.10 0.00 0.00 66.02 65.87 1a6t s SER 180 CO 0.00 -0.05 0.26 0.54 0.98 0.00 0.00 173.24 174.98 1a6t s VAL 181 N -2.64 -0.29 -0.52 5.02 0.11 -0.77 -1.48 120.40 119.82 1a6t s VAL 181 Ca 0.29 0.23 -0.15 0.00 -2.93 0.00 0.00 61.98 59.42 1a6t s VAL 181 Cb -0.03 -0.43 0.12 0.00 -1.53 0.00 0.00 36.38 34.51 1a6t s VAL 181 CO 0.13 0.10 0.46 -0.89 -3.33 0.00 0.00 175.10 171.57 1a6t s THR 182 N 2.03 5.02 0.32 5.04 2.01 -0.97 -0.21 115.64 128.88 1a6t s THR 182 Ca -0.02 -1.52 0.07 0.00 0.31 0.00 0.00 61.69 60.53 1a6t s THR 182 Cb -0.11 -4.21 -0.02 0.00 0.01 0.00 0.00 72.50 68.16 1a6t s THR 182 CO -0.09 -0.83 0.36 0.68 -0.69 0.00 0.00 174.62 174.06 1a6t s VAL 183 N 1.56 4.04 0.25 3.82 -7.23 -1.08 -4.69 120.40 117.08 1a6t s VAL 183 Ca 0.04 -1.18 -0.30 0.00 -1.81 0.00 0.00 61.98 58.73 1a6t s VAL 183 Cb -0.29 -3.38 -0.10 0.00 0.56 0.00 0.00 36.38 33.18 1a6t s VAL 183 CO 0.03 -0.20 1.42 0.42 -0.31 0.00 0.00 175.10 176.45 1a6t s THR 184 N -2.20 2.71 0.54 5.32 -4.23 -1.25 -4.01 115.64 112.52 1a6t s THR 184 Ca 0.41 0.60 0.24 0.00 -1.18 0.00 0.00 61.69 61.76 1a6t s THR 184 Cb -0.08 -3.38 0.36 0.00 1.34 0.00 0.00 72.50 70.74 1a6t s THR 184 CO 0.29 0.10 2.05 0.77 -0.54 0.00 0.00 174.62 177.29 1a6t h SER 185 N 4.92 0.00 0.78 3.99 4.64 -1.62 0.25 113.55 126.51 1a6t h SER 185 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1a6t h SER 185 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1a6t h SER 185 CO 0.77 0.00 -0.13 -1.54 -0.87 0.00 0.00 176.83 175.05 1a6t n SER 186 N -4.27 0.17 0.06 4.97 3.41 -1.26 -3.98 113.62 112.72 1a6t n SER 186 Ca 0.05 0.16 -0.23 0.00 -0.26 0.00 0.00 58.87 58.59 1a6t n SER 186 Cb 0.43 -0.26 -0.15 0.00 -0.26 0.00 0.00 64.21 63.97 1a6t n SER 186 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1a6t h THR 187 N 0.06 0.95 0.00 6.66 2.02 -0.86 -3.43 112.91 118.31 1a6t h THR 187 Ca 0.00 -2.49 0.00 0.00 0.77 0.00 0.00 66.41 64.69 1a6t h THR 187 Cb 0.47 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1a6t h THR 187 CO 0.00 0.83 0.00 1.87 0.37 0.00 0.00 175.52 178.59 1a6t n TRP 188 N -3.65 0.00 -0.38 3.16 -0.00 -1.16 -0.92 117.44 114.48 1a6t n TRP 188 Ca -0.25 0.00 0.29 0.00 -0.00 0.00 0.00 57.50 57.54 1a6t n TRP 188 Cb 1.04 0.00 0.56 0.00 -0.00 0.00 0.00 31.31 32.92 1a6t n TRP 188 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 1a6t h PRO 189 N 0.00 0.23 0.22 5.87 0.11 -1.89 0.35 132.00 136.88 1a6t h PRO 189 Ca 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1a6t h PRO 189 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1a6t h PRO 189 CO 0.00 0.15 -0.10 0.66 -0.21 0.00 0.00 178.00 178.50 1a6t h SER 190 N 0.24 -0.25 -1.99 -2.05 4.64 -1.83 -3.44 113.55 108.87 1a6t h SER 190 Ca 0.73 -0.09 -0.45 0.00 -0.47 0.00 0.00 61.79 61.51 1a6t h SER 190 Cb 2.01 0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 64.16 1a6t h SER 190 CO -0.42 -0.06 -0.38 -1.10 -0.87 0.00 0.00 176.83 173.99 1a6t s GLN 191 N -5.61 3.27 -0.12 4.77 -1.52 0.12 -5.08 119.66 115.49 1a6t s GLN 191 Ca -0.15 -0.89 -0.25 0.00 -1.95 0.00 0.00 55.36 52.13 1a6t s GLN 191 Cb 0.04 -2.85 -0.02 0.00 -0.22 0.00 0.00 33.01 29.95 1a6t s GLN 191 CO 0.63 0.24 0.79 0.99 -0.25 0.00 0.00 175.29 177.68 1a6t s THR 192 N -2.08 4.95 -0.16 -0.19 2.01 -1.26 -4.67 115.64 114.23 1a6t s THR 192 Ca 0.40 1.58 0.01 0.00 0.31 0.00 0.00 61.69 63.98 1a6t s THR 192 Cb -0.09 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.32 1a6t s THR 192 CO 0.30 0.12 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.54 1a6t s ILE 193 N 1.57 2.30 -0.06 1.82 1.01 -1.26 -4.94 121.20 121.65 1a6t s ILE 193 Ca 0.39 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 60.18 1a6t s ILE 193 Cb -0.17 -1.96 0.01 0.00 0.01 0.00 0.00 42.46 40.35 1a6t s ILE 193 CO 0.16 0.53 -0.10 -0.89 0.00 0.00 0.00 174.94 174.63 1a6t s THR 194 N 1.01 0.95 -0.22 2.92 2.01 -1.26 -1.83 115.64 119.21 1a6t s THR 194 Ca -0.02 -0.38 -0.10 0.00 0.31 0.00 0.00 61.69 61.50 1a6t s THR 194 Cb -0.15 -0.88 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 1a6t s THR 194 CO -0.05 0.31 0.13 0.00 -0.69 0.00 0.00 174.62 174.32 1a6t s ASN 196 N 0.88 6.19 -0.08 0.00 -0.87 0.68 -1.01 114.94 120.72 1a6t s ASN 196 Ca 0.07 0.21 0.03 0.00 -1.57 0.00 0.00 52.86 51.60 1a6t s ASN 196 Cb -0.13 -2.10 0.00 0.00 -0.02 0.00 0.00 41.25 39.00 1a6t s ASN 196 CO 0.03 0.13 -0.20 -0.69 -2.57 0.00 0.00 177.10 173.80 1a6t s VAL 197 N 0.65 1.72 -0.10 1.60 1.01 0.15 -1.48 120.40 123.95 1a6t s VAL 197 Ca 0.09 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1a6t s VAL 197 Cb -0.12 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1a6t s VAL 197 CO 0.01 0.48 -0.17 0.00 0.00 0.00 0.00 175.10 175.43 1a6t s ALA 198 N 0.42 1.74 -0.46 5.51 0.00 0.01 -0.49 121.76 128.48 1a6t s ALA 198 Ca -0.16 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.08 1a6t s ALA 198 Cb -0.17 -0.78 0.15 0.00 0.00 0.00 0.00 23.12 22.32 1a6t s ALA 198 CO 0.07 0.04 0.29 -1.58 0.00 0.00 0.00 175.76 174.58 1a6t s HIS 199 N 0.77 1.96 0.26 0.00 2.46 0.13 -0.24 115.29 120.63 1a6t s HIS 199 Ca -0.11 -2.47 -0.01 0.00 0.47 0.00 0.00 55.06 52.93 1a6t s HIS 199 Cb -0.16 -1.77 0.56 0.00 -0.13 0.00 0.00 32.58 31.08 1a6t s HIS 199 CO 0.02 -0.76 1.71 -1.35 -2.47 0.00 0.00 174.74 171.89 1a6t h PRO 200 N 6.39 0.40 -1.02 2.88 0.11 -1.80 -1.86 132.00 137.10 1a6t h PRO 200 Ca 0.06 -0.02 0.25 0.00 0.11 0.00 0.00 66.00 66.40 1a6t h PRO 200 Cb 0.90 -0.09 -0.10 0.00 0.11 0.00 0.00 31.00 31.82 1a6t h PRO 200 CO 0.48 0.26 0.64 0.00 -0.21 0.00 0.00 178.00 179.17 1a6t h ALA 201 N 1.62 2.05 -0.18 -0.75 0.00 -1.91 -0.04 119.26 120.05 1a6t h ALA 201 Ca 0.47 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1a6t h ALA 201 Cb 0.79 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1a6t h ALA 201 CO -0.47 -0.46 0.00 -1.13 0.00 0.00 0.00 179.25 177.19 1a6t n SER 202 N -4.71 2.54 -1.69 0.00 3.41 -0.81 -4.99 113.62 107.38 1a6t n SER 202 Ca 0.25 -1.74 -0.15 0.00 -0.26 0.00 0.00 58.87 56.97 1a6t n SER 202 Cb 0.80 -0.11 -0.01 0.00 -0.26 0.00 0.00 64.21 64.63 1a6t n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1a6t n SER 203 N 0.78 -4.57 -4.75 4.04 7.64 -0.03 -4.96 113.62 111.78 1a6t n SER 203 Ca 0.11 0.01 -0.33 0.00 1.01 0.00 0.00 58.87 59.66 1a6t n SER 203 Cb 0.39 -3.69 -0.08 0.00 -1.01 0.00 0.00 64.21 59.83 1a6t n SER 203 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1a6t s THR 204 N -2.74 4.53 -0.26 0.44 -4.23 -0.96 -4.99 115.64 107.43 1a6t s THR 204 Ca 0.00 -0.46 -0.04 0.00 -1.18 0.00 0.00 61.69 60.01 1a6t s THR 204 Cb 0.00 -3.05 0.09 0.00 1.34 0.00 0.00 72.50 70.88 1a6t s THR 204 CO 0.00 0.37 0.14 -0.75 -0.54 0.00 0.00 174.62 173.84 1a6t s LYS 205 N -1.64 0.18 -0.19 3.99 2.47 -1.26 -0.69 119.74 122.60 1a6t s LYS 205 Ca 0.21 -0.35 -0.05 0.00 -1.56 0.00 0.00 55.97 54.22 1a6t s LYS 205 Cb -0.12 -1.26 -0.03 0.00 -1.46 0.00 0.00 37.83 34.97 1a6t s LYS 205 CO 0.12 -0.93 0.00 0.08 0.16 0.00 0.00 175.35 174.79 1a6t s VAL 206 N 2.15 4.10 -0.36 4.02 1.01 0.36 -4.97 120.40 126.71 1a6t s VAL 206 Ca 0.07 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 1a6t s VAL 206 Cb -0.16 -2.84 0.05 0.00 0.00 0.00 0.00 36.38 33.43 1a6t s VAL 206 CO -0.29 0.45 0.14 -1.81 0.00 0.00 0.00 175.10 173.59 1a6t s ASP 207 N 0.75 5.36 -0.36 3.32 1.01 -1.26 0.30 116.67 125.78 1a6t s ASP 207 Ca 0.00 -1.31 -0.02 0.00 0.71 0.00 0.00 52.55 51.94 1a6t s ASP 207 Cb -0.14 -1.88 0.09 0.00 1.01 0.00 0.00 42.92 41.99 1a6t s ASP 207 CO 0.02 -0.39 0.11 -0.75 0.21 0.00 0.00 175.17 174.37 1a6t s LYS 208 N 1.38 2.09 -0.06 8.23 2.47 -0.18 -4.96 119.74 128.70 1a6t s LYS 208 Ca 0.00 -1.63 -0.30 0.00 -1.56 0.00 0.00 55.97 52.48 1a6t s LYS 208 Cb -0.21 -3.40 -0.03 0.00 -1.46 0.00 0.00 37.83 32.74 1a6t s LYS 208 CO 0.02 -0.90 1.17 0.21 0.16 0.00 0.00 175.35 176.02 1a6t s LYS 209 N 1.15 4.36 -0.56 4.03 2.20 -1.26 -1.29 119.74 128.37 1a6t s LYS 209 Ca 0.04 1.64 -0.27 0.00 -0.36 0.00 0.00 55.97 57.02 1a6t s LYS 209 Cb -0.21 -3.55 0.03 0.00 -1.51 0.00 0.00 37.83 32.59 1a6t s LYS 209 CO -0.04 -0.43 1.10 0.42 -0.36 0.00 0.00 175.35 176.05 1a6t s ILE 210 N 2.18 4.16 0.13 5.43 -1.09 -0.76 -4.96 121.20 126.29 1a6t s ILE 210 Ca 0.55 0.71 0.04 0.00 -2.23 0.00 0.00 60.65 59.71 1a6t s ILE 210 Cb -0.24 -4.65 -0.04 0.00 -1.58 0.00 0.00 42.46 35.95 1a6t s ILE 210 CO 0.21 -1.24 0.15 -1.61 -1.23 0.00 0.00 174.94 171.22 1a6t s GLU 211 N 4.57 3.00 0.55 2.79 0.41 -1.26 -4.71 118.70 124.05 1a6t s GLU 211 Ca 0.39 -0.76 -0.17 0.00 -0.41 0.00 0.00 54.97 54.01 1a6t s GLU 211 Cb -0.09 -2.74 -0.06 0.00 -1.78 0.00 0.00 34.13 29.47 1a6t s GLU 211 CO 0.24 0.52 1.05 -2.14 -0.49 0.00 0.00 175.26 174.43 1a6t s PRO 212 N -2.90 3.54 0.00 0.39 0.02 -1.26 -4.74 135.00 130.05 1a6t s PRO 212 Ca 0.31 1.25 0.13 0.00 0.02 0.00 0.00 61.00 62.71 1a6t s PRO 212 Cb -0.11 -2.06 0.79 0.00 0.02 0.00 0.00 34.50 33.14 1a6t s PRO 212 CO 0.24 -0.64 1.21 0.54 -0.33 0.00 0.00 177.00 178.03