#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6t s SER 2 N 0.00 6.63 0.16 2.61 0.15 -1.26 -4.96 113.70 117.03 1a6t s SER 2 Ca 0.00 2.55 -0.28 0.00 0.70 0.00 0.00 55.95 58.91 1a6t s SER 2 Cb 0.00 -2.59 -0.07 0.00 -1.71 0.00 0.00 66.02 61.65 1a6t s SER 2 CO 0.00 -0.81 0.89 -0.69 1.20 0.00 0.00 173.24 173.83 1a6t s VAL 3 N 1.39 4.34 -0.18 4.45 1.01 -1.26 -4.71 120.40 125.44 1a6t s VAL 3 Ca 0.70 1.94 -0.02 0.00 0.00 0.00 0.00 61.98 64.60 1a6t s VAL 3 Cb -0.42 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 31.70 1a6t s VAL 3 CO 0.31 0.44 -0.09 -0.76 0.00 0.00 0.00 175.10 175.00 1a6t s LEU 4 N -0.70 2.74 -0.10 3.92 1.43 -1.26 -0.70 118.68 124.01 1a6t s LEU 4 Ca 0.41 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 53.06 1a6t s LEU 4 Cb -0.24 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1a6t s LEU 4 CO 0.29 0.05 0.09 -0.44 0.23 0.00 0.00 176.35 176.57 1a6t s SER 5 N 1.07 5.98 -0.11 2.29 0.01 0.91 -3.53 113.70 120.32 1a6t s SER 5 Ca 0.00 0.35 0.03 0.00 1.31 0.00 0.00 55.95 57.64 1a6t s SER 5 Cb -0.15 -1.85 -0.00 0.00 0.21 0.00 0.00 66.02 64.23 1a6t s SER 5 CO -0.02 0.39 -0.22 -1.10 0.41 0.00 0.00 173.24 172.71 1a6t s GLN 6 N -1.02 3.11 0.00 12.44 -0.21 -1.26 0.35 119.66 133.07 1a6t s GLN 6 Ca 0.15 -0.84 0.00 0.00 0.02 0.00 0.00 55.36 54.69 1a6t s GLN 6 Cb -0.12 -2.38 0.00 0.00 1.00 0.00 0.00 33.01 31.51 1a6t s GLN 6 CO 0.04 0.16 0.00 0.45 -2.12 0.00 0.00 175.29 173.82 1a6t n SER 7 N 3.59 0.00 -4.48 5.90 2.88 0.07 -4.45 113.62 117.14 1a6t n SER 7 Ca -0.19 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 56.90 1a6t n SER 7 Cb 0.53 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.91 1a6t n SER 7 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1a6t n PRO 8 N 0.00 0.84 -0.06 -1.46 -0.02 -1.26 -4.62 135.00 128.43 1a6t n PRO 8 Ca 0.00 0.16 -0.08 0.00 -2.02 0.00 0.00 63.50 61.56 1a6t n PRO 8 Cb 0.00 -2.50 -0.02 0.00 -0.02 0.00 0.00 33.50 30.96 1a6t n PRO 8 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a6t h ALA 9 N 14.08 0.16 -3.19 3.55 0.00 -1.84 -3.37 119.26 128.64 1a6t h ALA 9 Ca -0.22 0.09 -0.51 0.00 0.00 0.00 0.00 54.91 54.28 1a6t h ALA 9 Cb 1.31 0.18 -0.37 0.00 0.00 0.00 0.00 17.79 18.91 1a6t h ALA 9 CO 1.13 -0.47 -0.80 0.42 0.00 0.00 0.00 179.25 179.53 1a6t s ILE 10 N -6.21 0.91 -0.32 0.00 -1.09 -1.26 -2.04 121.20 111.20 1a6t s ILE 10 Ca -0.13 -0.22 -0.03 0.00 -2.23 0.00 0.00 60.65 58.04 1a6t s ILE 10 Cb 0.11 -0.95 0.05 0.00 -1.58 0.00 0.00 42.46 40.09 1a6t s ILE 10 CO 0.69 0.35 0.04 -0.22 -1.23 0.00 0.00 174.94 174.56 1a6t s LEU 11 N 1.74 4.09 -0.32 2.97 2.96 0.16 -4.97 118.68 125.31 1a6t s LEU 11 Ca 0.05 -1.30 -0.18 0.00 -0.22 0.00 0.00 54.13 52.48 1a6t s LEU 11 Cb -0.13 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 1a6t s LEU 11 CO -0.08 -0.29 0.50 -0.44 -1.32 0.00 0.00 176.35 174.72 1a6t s SER 12 N 1.33 6.34 0.01 3.68 0.01 -1.26 -0.68 113.70 123.13 1a6t s SER 12 Ca -0.03 0.13 0.05 0.00 1.31 0.00 0.00 55.95 57.40 1a6t s SER 12 Cb -0.20 -2.27 -0.02 0.00 0.21 0.00 0.00 66.02 63.75 1a6t s SER 12 CO -0.01 -0.41 -0.15 0.00 0.41 0.00 0.00 173.24 173.08 1a6t s ALA 13 N 2.36 1.23 0.31 1.44 0.00 -0.02 -4.89 121.76 122.19 1a6t s ALA 13 Ca 0.19 -0.73 -0.15 0.00 0.00 0.00 0.00 51.96 51.27 1a6t s ALA 13 Cb -0.15 -0.26 -0.09 0.00 0.00 0.00 0.00 23.12 22.62 1a6t s ALA 13 CO 0.12 0.27 0.73 -1.12 0.00 0.00 0.00 175.76 175.76 1a6t s SER 14 N -0.71 6.78 0.31 0.00 0.01 -1.26 -0.62 113.70 118.22 1a6t s SER 14 Ca 0.04 1.27 -0.29 0.00 1.31 0.00 0.00 55.95 58.28 1a6t s SER 14 Cb -0.07 -2.37 -0.11 0.00 0.21 0.00 0.00 66.02 63.69 1a6t s SER 14 CO 0.00 -0.19 1.50 -2.16 0.41 0.00 0.00 173.24 172.80 1a6t s PRO 15 N -2.92 4.18 0.00 12.44 0.04 -1.26 -3.04 135.00 144.43 1a6t s PRO 15 Ca 0.53 2.48 0.00 0.00 0.04 0.00 0.00 61.00 64.05 1a6t s PRO 15 Cb -0.11 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1a6t s PRO 15 CO 0.18 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 177.12 1a6t n GLY 16 N 1.52 0.34 3.90 0.56 0.00 -0.54 -4.93 105.19 106.03 1a6t n GLY 16 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1a6t n GLY 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a6t s GLU 17 N -0.90 3.21 -0.19 1.61 -1.05 -1.17 -4.55 118.70 115.65 1a6t s GLU 17 Ca 0.00 -0.84 -0.29 0.00 -0.15 0.00 0.00 54.97 53.69 1a6t s GLU 17 Cb 0.00 -2.77 0.00 0.00 -0.44 0.00 0.00 34.13 30.92 1a6t s GLU 17 CO 0.00 0.44 1.04 0.21 0.95 0.00 0.00 175.26 177.90 1a6t s LYS 18 N -3.69 4.30 0.04 -4.83 2.20 -1.15 -2.86 119.74 113.75 1a6t s LYS 18 Ca 0.33 1.38 0.07 0.00 -0.36 0.00 0.00 55.97 57.39 1a6t s LYS 18 Cb -0.09 -3.62 -0.03 0.00 -1.51 0.00 0.00 37.83 32.58 1a6t s LYS 18 CO 0.27 -0.55 -0.19 0.08 -0.36 0.00 0.00 175.35 174.60 1a6t s VAL 19 N 2.89 2.72 -0.05 4.02 1.01 0.12 -4.98 120.40 126.13 1a6t s VAL 19 Ca 0.45 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1a6t s VAL 19 Cb -0.16 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.11 1a6t s VAL 19 CO 0.09 0.36 -0.07 -0.63 0.00 0.00 0.00 175.10 174.85 1a6t s ILE 20 N -0.90 0.76 -0.06 2.22 1.01 -1.26 -0.52 121.20 122.45 1a6t s ILE 20 Ca 0.14 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.55 1a6t s ILE 20 Cb -0.10 -0.74 0.01 0.00 0.01 0.00 0.00 42.46 41.64 1a6t s ILE 20 CO 0.05 0.27 -0.11 0.00 0.00 0.00 0.00 174.94 175.15 1a6t s MET 21 N 0.82 1.56 0.22 2.79 0.23 -0.54 -4.89 119.30 119.48 1a6t s MET 21 Ca -0.12 -0.36 0.04 0.00 -1.03 0.00 0.00 55.69 54.22 1a6t s MET 21 Cb -0.15 -1.32 -0.03 0.00 -1.53 0.00 0.00 34.83 31.80 1a6t s MET 21 CO 0.01 -0.00 0.33 0.95 -2.03 0.00 0.00 175.02 174.28 1a6t s THR 22 N 0.75 5.21 0.01 3.16 -4.23 -1.26 -0.42 115.64 118.85 1a6t s THR 22 Ca -0.13 -0.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.44 1a6t s THR 22 Cb -0.15 -3.79 -0.01 0.00 1.34 0.00 0.00 72.50 69.89 1a6t s THR 22 CO 0.03 -0.27 -0.03 0.00 -0.54 0.00 0.00 174.62 173.81 1a6t s SER 24 N -0.49 0.52 0.03 0.00 0.01 0.16 -1.59 113.70 112.34 1a6t s SER 24 Ca -0.04 0.43 -0.18 0.00 1.31 0.00 0.00 55.95 57.47 1a6t s SER 24 Cb -0.04 0.42 -0.06 0.00 0.21 0.00 0.00 66.02 66.55 1a6t s SER 24 CO -0.00 -0.23 0.51 -2.16 0.41 0.00 0.00 173.24 171.76 1a6t s PRO 25 N 2.22 4.12 0.23 12.44 0.04 -1.13 -0.06 135.00 152.86 1a6t s PRO 25 Ca 0.01 0.60 0.14 0.00 0.04 0.00 0.00 61.00 61.79 1a6t s PRO 25 Cb -0.12 -3.25 0.74 0.00 0.04 0.00 0.00 34.50 31.91 1a6t s PRO 25 CO -0.07 0.60 1.38 -1.13 0.04 0.00 0.00 177.00 177.82 1a6t n SER 26 N 1.97 0.36 -3.60 6.66 3.41 0.12 -4.67 113.62 117.88 1a6t n SER 26 Ca -0.11 0.62 -0.20 0.00 -0.26 0.00 0.00 58.87 58.93 1a6t n SER 26 Cb 0.51 -0.65 -0.08 0.00 -0.26 0.00 0.00 64.21 63.73 1a6t n SER 26 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1a6t s SER 27 N -3.57 1.70 0.09 4.04 0.01 -1.26 -4.98 113.70 109.73 1a6t s SER 27 Ca -0.02 -1.70 -0.30 0.00 1.31 0.00 0.00 55.95 55.24 1a6t s SER 27 Cb 0.04 0.52 -0.06 0.00 0.21 0.00 0.00 66.02 66.73 1a6t s SER 27 CO 0.12 -1.01 1.14 -0.55 0.41 0.00 0.00 173.24 173.35 1a6t s SER 29 N -3.39 7.18 -0.04 2.44 0.15 -1.26 -4.38 113.70 114.40 1a6t s SER 29 Ca 0.38 2.00 0.07 0.00 0.70 0.00 0.00 55.95 59.09 1a6t s SER 29 Cb 0.03 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.74 1a6t s SER 29 CO 0.23 -0.36 -0.25 -0.69 1.20 0.00 0.00 173.24 173.37 1a6t s VAL 30 N 0.59 2.06 -0.16 4.45 1.01 0.11 -4.84 120.40 123.62 1a6t s VAL 30 Ca 0.55 -1.08 -0.24 0.00 0.00 0.00 0.00 61.98 61.20 1a6t s VAL 30 Cb -0.28 -1.72 -0.21 0.00 0.00 0.00 0.00 36.38 34.16 1a6t s VAL 30 CO 0.31 0.57 0.48 0.77 0.00 0.00 0.00 175.10 177.23 1a6t h SER 31 N 5.81 0.00 -3.87 3.32 4.64 -1.96 -3.07 113.55 118.42 1a6t h SER 31 Ca -0.37 -0.72 -0.52 0.00 -0.47 0.00 0.00 61.79 59.72 1a6t h SER 31 Cb 1.15 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.93 1a6t h SER 31 CO 0.47 1.16 -0.82 -0.31 -0.87 0.00 0.00 176.83 176.46 1a6t s TYR 32 N -2.24 1.45 -0.03 4.77 2.02 -1.26 -4.80 117.35 117.25 1a6t s TYR 32 Ca -0.22 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.12 1a6t s TYR 32 Cb 0.01 -0.99 -0.03 0.00 -0.40 0.00 0.00 41.96 40.55 1a6t s TYR 32 CO 0.60 -0.14 -0.14 1.41 -1.57 0.00 0.00 175.55 175.70 1a6t s MET 33 N 0.09 2.45 0.18 -0.62 1.75 -1.26 -4.68 119.30 117.21 1a6t s MET 33 Ca -0.04 -0.73 0.09 0.00 -1.25 0.00 0.00 55.69 53.76 1a6t s MET 33 Cb -0.10 -2.36 -0.04 0.00 2.84 0.00 0.00 34.83 35.16 1a6t s MET 33 CO 0.02 0.61 -0.10 -0.65 -0.65 0.00 0.00 175.02 174.25 1a6t s GLN 34 N -0.88 2.05 0.00 4.11 -1.52 -0.08 -0.43 119.66 122.91 1a6t s GLN 34 Ca 0.12 -1.28 0.02 0.00 -1.95 0.00 0.00 55.36 52.28 1a6t s GLN 34 Cb -0.11 -2.15 -0.01 0.00 -0.22 0.00 0.00 33.01 30.52 1a6t s GLN 34 CO 0.02 0.43 -0.08 -1.58 -0.25 0.00 0.00 175.29 173.83 1a6t s TRP 35 N -1.71 0.69 0.17 0.91 0.52 0.13 0.49 118.94 120.13 1a6t s TRP 35 Ca 0.25 -0.19 0.07 0.00 0.02 0.00 0.00 56.10 56.25 1a6t s TRP 35 Cb -0.09 -0.44 -0.04 0.00 -1.15 0.00 0.00 33.47 31.75 1a6t s TRP 35 CO 0.15 -0.02 -0.14 0.71 0.02 0.00 0.00 176.95 177.68 1a6t s TYR 36 N -0.38 1.56 -0.03 -1.98 1.51 -0.04 -1.33 117.35 116.66 1a6t s TYR 36 Ca 0.01 -0.60 0.06 0.00 -1.01 0.00 0.00 57.07 55.53 1a6t s TYR 36 Cb -0.04 -0.76 -0.01 0.00 -0.11 0.00 0.00 41.96 41.04 1a6t s TYR 36 CO -0.00 0.25 -0.20 -1.14 -1.11 0.00 0.00 175.55 173.36 1a6t s GLN 37 N -3.36 1.76 -0.05 -0.62 0.74 -0.64 -1.70 119.66 115.79 1a6t s GLN 37 Ca 0.18 -0.70 -0.01 0.00 0.05 0.00 0.00 55.36 54.87 1a6t s GLN 37 Cb -0.01 -1.62 0.03 0.00 1.10 0.00 0.00 33.01 32.50 1a6t s GLN 37 CO 0.05 0.37 0.03 -1.14 -0.55 0.00 0.00 175.29 174.05 1a6t s GLN 38 N -0.29 0.19 0.19 1.67 0.74 0.10 -1.04 119.66 121.22 1a6t s GLN 38 Ca 0.03 0.23 -0.03 0.00 0.05 0.00 0.00 55.36 55.65 1a6t s GLN 38 Cb -0.09 -0.61 -0.05 0.00 1.10 0.00 0.00 33.01 33.35 1a6t s GLN 38 CO 0.01 -0.27 0.40 0.15 -0.55 0.00 0.00 175.29 175.02 1a6t s LYS 39 N 1.81 3.57 0.14 1.67 1.02 -1.26 -0.88 119.74 125.80 1a6t s LYS 39 Ca 0.01 -0.21 -0.31 0.00 0.02 0.00 0.00 55.97 55.48 1a6t s LYS 39 Cb -0.12 -2.83 -0.10 0.00 -0.52 0.00 0.00 37.83 34.25 1a6t s LYS 39 CO -0.03 0.41 1.75 -2.14 -0.92 0.00 0.00 175.35 174.42 1a6t s PRO 40 N -3.08 4.15 0.00 -1.68 0.02 -1.26 -2.77 135.00 130.38 1a6t s PRO 40 Ca 0.40 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.96 1a6t s PRO 40 Cb -0.11 -3.42 0.00 0.00 0.02 0.00 0.00 34.50 30.98 1a6t s PRO 40 CO 0.27 -0.78 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 1a6t n GLY 41 N 4.09 0.82 3.47 0.52 0.00 -1.26 -5.07 105.19 107.75 1a6t n GLY 41 Ca 0.17 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 1a6t n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a6t s SER 42 N -2.92 -0.58 0.64 1.61 0.01 -1.11 -5.15 113.70 106.19 1a6t s SER 42 Ca 0.00 0.26 -0.14 0.00 1.31 0.00 0.00 55.95 57.38 1a6t s SER 42 Cb 0.00 0.55 -0.02 0.00 0.21 0.00 0.00 66.02 66.77 1a6t s SER 42 CO 0.00 -0.80 1.06 -0.44 0.41 0.00 0.00 173.24 173.47 1a6t s SER 43 N -2.14 5.56 0.54 2.44 0.01 -1.26 -4.71 113.70 114.14 1a6t s SER 43 Ca -0.03 1.77 -0.19 0.00 1.31 0.00 0.00 55.95 58.80 1a6t s SER 43 Cb -0.01 -2.52 -0.06 0.00 0.21 0.00 0.00 66.02 63.64 1a6t s SER 43 CO -0.04 -1.32 1.12 -2.84 0.41 0.00 0.00 173.24 170.57 1a6t s PRO 44 N -4.41 3.40 0.04 12.44 0.02 -1.26 -4.71 135.00 140.52 1a6t s PRO 44 Ca 0.62 1.58 0.07 0.00 0.02 0.00 0.00 61.00 63.29 1a6t s PRO 44 Cb -0.16 -2.01 -0.03 0.00 0.02 0.00 0.00 34.50 32.32 1a6t s PRO 44 CO 0.43 -0.80 -0.17 0.15 -0.33 0.00 0.00 177.00 176.28 1a6t s LYS 45 N -3.29 2.10 0.25 5.54 1.02 -0.20 -4.93 119.74 120.23 1a6t s LYS 45 Ca 0.72 -0.97 -0.31 0.00 0.02 0.00 0.00 55.97 55.43 1a6t s LYS 45 Cb -0.23 -2.22 -0.11 0.00 -0.52 0.00 0.00 37.83 34.75 1a6t s LYS 45 CO 0.26 0.54 1.62 -2.14 -0.92 0.00 0.00 175.35 174.72 1a6t s PRO 46 N -1.49 4.14 0.00 -1.68 0.02 -1.26 -1.62 135.00 133.12 1a6t s PRO 46 Ca 0.15 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.72 1a6t s PRO 46 Cb -0.11 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.36 1a6t s PRO 46 CO 0.06 -0.65 0.00 1.87 -0.33 0.00 0.00 177.00 177.95 1a6t n TRP 47 N 2.95 0.00 -3.68 6.54 -0.00 -0.44 -4.76 117.44 118.05 1a6t n TRP 47 Ca 0.11 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.51 1a6t n TRP 47 Cb 0.37 0.01 -0.11 0.00 -0.00 0.00 0.00 31.31 31.59 1a6t n TRP 47 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 1a6t s ILE 48 N -1.99 -0.35 0.21 5.87 1.01 -0.90 -1.05 121.20 124.00 1a6t s ILE 48 Ca 0.00 0.15 0.10 0.00 0.00 0.00 0.00 60.65 60.90 1a6t s ILE 48 Cb 0.00 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 1a6t s ILE 48 CO 0.00 0.06 -0.15 -0.72 0.00 0.00 0.00 174.94 174.13 1a6t s TYR 49 N 2.05 2.48 -1.46 3.97 1.13 0.14 0.18 117.35 125.84 1a6t s TYR 49 Ca -0.05 -0.28 -0.09 0.00 -1.41 0.00 0.00 57.07 55.24 1a6t s TYR 49 Cb -0.10 -1.18 0.04 0.00 -1.10 0.00 0.00 41.96 39.61 1a6t s TYR 49 CO -0.12 0.55 0.74 0.43 -2.51 0.00 0.00 175.55 174.64 1a6t n SER 50 N -0.07 -5.25 0.00 -0.18 7.64 -1.15 -1.49 113.62 113.11 1a6t n SER 50 Ca -0.10 -0.46 0.00 0.00 1.01 0.00 0.00 58.87 59.32 1a6t n SER 50 Cb 0.57 -4.23 0.00 0.00 -1.01 0.00 0.00 64.21 59.53 1a6t n SER 50 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1a6t n THR 51 N -4.47 0.00 -0.70 0.44 -1.04 0.42 -4.35 114.28 104.58 1a6t n THR 51 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1a6t n THR 51 Cb 0.57 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 1a6t n THR 51 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1a6t n SER 52 N 0.00 0.00 -4.58 8.00 7.64 -1.18 -1.31 113.62 122.19 1a6t n SER 52 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1a6t n SER 52 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1a6t n SER 52 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1a6t s ASN 53 N 0.00 6.50 0.25 6.43 0.01 -0.56 -4.60 114.94 122.97 1a6t s ASN 53 Ca 0.00 0.28 -0.30 0.00 -0.71 0.00 0.00 52.86 52.14 1a6t s ASN 53 Cb 0.00 -2.36 -0.09 0.00 0.41 0.00 0.00 41.25 39.20 1a6t s ASN 53 CO 0.00 -0.65 1.30 -0.76 -1.51 0.00 0.00 177.10 175.48 1a6t s LEU 54 N 2.89 4.43 0.67 0.60 1.43 -1.26 -0.68 118.68 126.76 1a6t s LEU 54 Ca 0.28 2.50 -0.08 0.00 -1.03 0.00 0.00 54.13 55.80 1a6t s LEU 54 Cb -0.14 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.49 1a6t s LEU 54 CO 0.15 -0.51 1.01 0.00 0.23 0.00 0.00 176.35 177.23 1a6t s ALA 55 N -0.35 3.09 0.05 4.21 0.00 -0.21 -4.87 121.76 123.68 1a6t s ALA 55 Ca 0.54 -0.66 -0.33 0.00 0.00 0.00 0.00 51.96 51.51 1a6t s ALA 55 Cb -0.38 -2.75 -0.11 0.00 0.00 0.00 0.00 23.12 19.89 1a6t s ALA 55 CO 0.43 -1.11 1.82 0.45 0.00 0.00 0.00 175.76 177.35 1a6t n SER 56 N -2.85 3.69 0.00 0.00 2.88 -1.26 -2.14 113.62 113.93 1a6t n SER 56 Ca 0.06 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 1a6t n SER 56 Cb 0.59 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 1a6t n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a6t n GLY 57 N 4.18 0.43 3.61 0.46 0.00 -1.26 -5.03 105.19 107.57 1a6t n GLY 57 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1a6t n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a6t s VAL 58 N -2.00 5.06 0.46 1.61 1.01 -0.91 -5.05 120.40 120.58 1a6t s VAL 58 Ca 0.00 0.78 -0.24 0.00 0.00 0.00 0.00 61.98 62.51 1a6t s VAL 58 Cb 0.00 -3.85 -0.07 0.00 0.00 0.00 0.00 36.38 32.45 1a6t s VAL 58 CO 0.00 0.03 1.37 -2.16 0.00 0.00 0.00 175.10 174.34 1a6t s PRO 59 N 2.33 3.62 0.37 2.72 0.04 -1.26 -4.89 135.00 137.93 1a6t s PRO 59 Ca 0.21 2.29 0.23 0.00 0.04 0.00 0.00 61.00 63.76 1a6t s PRO 59 Cb -0.16 -2.57 1.24 0.00 0.04 0.00 0.00 34.50 33.05 1a6t s PRO 59 CO 0.10 -0.82 1.68 0.78 0.04 0.00 0.00 177.00 178.78 1a6t h GLY 60 N 2.18 0.00 2.00 0.56 0.00 -2.00 -2.62 103.07 103.19 1a6t h GLY 60 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1a6t h GLY 60 CO 0.60 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 176.18 1a6t n ARG 61 N -2.33 0.04 -3.49 4.80 1.85 -1.26 -4.51 116.66 111.77 1a6t n ARG 61 Ca -0.02 0.41 -0.37 0.00 -1.00 0.00 0.00 57.85 56.88 1a6t n ARG 61 Cb 0.10 -1.61 -0.06 0.00 -1.05 0.00 0.00 32.46 29.84 1a6t n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1a6t s PHE 62 N -3.11 3.55 -0.02 2.89 0.08 -0.99 -1.37 117.98 119.01 1a6t s PHE 62 Ca 0.03 0.78 0.01 0.00 0.12 0.00 0.00 56.93 57.86 1a6t s PHE 62 Cb 0.06 -2.36 0.01 0.00 -0.57 0.00 0.00 43.02 40.15 1a6t s PHE 62 CO 0.18 0.35 -0.03 0.45 -0.10 0.00 0.00 175.22 176.07 1a6t s SER 63 N 0.02 0.53 0.28 1.36 0.15 -0.08 -5.00 113.70 110.96 1a6t s SER 63 Ca 0.21 -0.07 0.09 0.00 0.70 0.00 0.00 55.95 56.88 1a6t s SER 63 Cb -0.14 -0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 63.97 1a6t s SER 63 CO 0.08 -0.00 0.08 -0.83 1.20 0.00 0.00 173.24 173.76 1a6t s GLY 64 N 0.33 1.69 0.00 9.45 0.00 -1.26 -0.75 107.32 116.78 1a6t s GLY 64 Ca -0.03 -1.66 0.00 0.00 0.00 0.00 0.00 44.72 43.03 1a6t s GLY 64 CO -0.01 -1.68 0.00 0.61 0.00 0.00 0.00 173.10 172.02 1a6t n GLY 65 N -1.02 0.24 0.00 0.20 0.00 -0.43 -4.53 105.19 99.65 1a6t n GLY 65 Ca -0.06 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1a6t n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a6t n GLY 66 N -0.30 0.63 3.59 -0.02 0.00 -1.26 -1.43 105.19 106.41 1a6t n GLY 66 Ca 0.00 -2.27 -0.07 0.00 0.00 0.00 0.00 46.02 43.68 1a6t n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a6t s SER 67 N -1.82 -0.25 0.67 1.61 1.04 -0.06 -4.94 113.70 109.95 1a6t s SER 67 Ca 0.00 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.66 1a6t s SER 67 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1a6t s SER 67 CO 0.00 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.57 1a6t n GLY 68 N 0.52 1.60 0.76 7.32 0.00 -1.16 -3.15 105.19 111.08 1a6t n GLY 68 Ca -0.06 0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.05 1a6t n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a6t n THR 69 N 0.00 1.27 -3.76 2.61 -2.24 -1.26 0.06 114.28 110.95 1a6t n THR 69 Ca 0.00 -1.17 -0.13 0.00 -2.27 0.00 0.00 64.05 60.49 1a6t n THR 69 Cb 0.00 0.35 -0.11 0.00 -2.10 0.00 0.00 70.33 68.47 1a6t n THR 69 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1a6t s SER 70 N -1.16 -0.33 0.20 3.42 0.15 -1.19 -2.84 113.70 111.95 1a6t s SER 70 Ca 0.29 0.63 -0.10 0.00 0.70 0.00 0.00 55.95 57.47 1a6t s SER 70 Cb 0.17 0.62 -0.01 0.00 -1.71 0.00 0.00 66.02 65.09 1a6t s SER 70 CO 0.16 -0.12 0.35 -0.36 1.20 0.00 0.00 173.24 174.47 1a6t s PHE 71 N 0.41 0.43 0.00 3.44 0.40 -0.62 -0.88 117.98 121.15 1a6t s PHE 71 Ca -0.02 -0.77 -0.29 0.00 -0.60 0.00 0.00 56.93 55.25 1a6t s PHE 71 Cb -0.04 0.01 0.08 0.00 0.51 0.00 0.00 43.02 43.58 1a6t s PHE 71 CO -0.02 -0.82 0.69 -1.54 0.70 0.00 0.00 175.22 174.23 1a6t s SER 72 N -3.00 -0.60 -0.23 1.36 1.04 -0.51 -1.41 113.70 110.35 1a6t s SER 72 Ca 0.21 0.46 -0.04 0.00 0.48 0.00 0.00 55.95 57.06 1a6t s SER 72 Cb 0.02 0.53 -0.00 0.00 0.10 0.00 0.00 66.02 66.67 1a6t s SER 72 CO 0.04 -0.69 -0.03 -0.22 0.98 0.00 0.00 173.24 173.32 1a6t s LEU 73 N -1.68 3.06 -0.01 2.42 1.98 0.44 -2.49 118.68 122.40 1a6t s LEU 73 Ca -0.06 -0.51 0.01 0.00 -2.89 0.00 0.00 54.13 50.68 1a6t s LEU 73 Cb -0.00 -1.74 -0.04 0.00 0.66 0.00 0.00 46.19 45.07 1a6t s LEU 73 CO 0.02 -0.06 -0.01 -0.89 -1.89 0.00 0.00 176.35 173.52 1a6t s THR 74 N 1.46 4.09 -0.18 3.68 2.01 0.07 -1.47 115.64 125.29 1a6t s THR 74 Ca 0.04 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 61.44 1a6t s THR 74 Cb -0.15 -2.81 0.05 0.00 0.01 0.00 0.00 72.50 69.60 1a6t s THR 74 CO -0.03 0.40 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.65 1a6t s ILE 75 N -1.05 0.96 0.00 1.82 1.01 0.32 -0.91 121.20 123.36 1a6t s ILE 75 Ca 0.18 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.16 1a6t s ILE 75 Cb -0.11 -1.26 0.00 0.00 0.01 0.00 0.00 42.46 41.10 1a6t s ILE 75 CO 0.09 -0.01 0.00 -1.54 0.00 0.00 0.00 174.94 173.48 1a6t n SER 76 N 4.91 0.00 -4.55 3.58 3.41 -0.47 0.15 113.62 120.64 1a6t n SER 76 Ca -0.11 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.10 1a6t n SER 76 Cb 0.47 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 1a6t n SER 76 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1a6t s GLY 77 N 0.00 0.91 0.23 5.00 0.00 -1.26 -2.94 107.32 109.25 1a6t s GLY 77 Ca 0.00 -1.57 -0.32 0.00 0.00 0.00 0.00 44.72 42.84 1a6t s GLY 77 CO 0.00 2.75 1.66 -0.62 0.00 0.00 0.00 173.10 176.89 1a6t n VAL 78 N 6.64 0.34 -4.20 1.40 0.31 -1.14 -4.71 118.33 116.97 1a6t n VAL 78 Ca 0.14 -0.09 -0.28 0.00 -0.01 0.00 0.00 64.34 64.11 1a6t n VAL 78 Cb 0.50 -1.90 -0.08 0.00 -0.91 0.00 0.00 33.84 31.44 1a6t n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1a6t s GLU 79 N 0.58 2.33 0.38 5.55 0.41 -1.26 -1.47 118.70 125.22 1a6t s GLU 79 Ca 0.72 -1.06 0.15 0.00 -0.41 0.00 0.00 54.97 54.37 1a6t s GLU 79 Cb -0.53 -2.36 1.01 0.00 -1.78 0.00 0.00 34.13 30.47 1a6t s GLU 79 CO 0.38 0.48 1.80 0.00 -0.49 0.00 0.00 175.26 177.43 1a6t h ALA 80 N 3.05 2.08 0.00 5.21 0.00 -1.97 0.28 119.26 127.91 1a6t h ALA 80 Ca -0.48 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1a6t h ALA 80 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1a6t h ALA 80 CO 0.57 -0.44 0.00 -0.85 0.00 0.00 0.00 179.25 178.52 1a6t n GLU 81 N -4.62 0.02 0.09 0.00 0.28 -1.26 -2.39 120.64 112.76 1a6t n GLU 81 Ca 0.23 0.36 0.12 0.00 -0.16 0.00 0.00 57.16 57.71 1a6t n GLU 81 Cb 0.74 -1.50 0.24 0.00 1.43 0.00 0.00 31.44 32.35 1a6t n GLU 81 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1a6t h ASP 82 N 0.00 0.00 -1.99 -1.84 3.32 -0.83 -3.45 116.42 111.62 1a6t h ASP 82 Ca 0.00 -0.10 -0.59 0.00 0.02 0.00 0.00 57.03 56.36 1a6t h ASP 82 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1a6t h ASP 82 CO 0.00 0.05 1.47 0.00 -1.72 0.00 0.00 179.24 179.04 1a6t n ALA 83 N -1.87 1.75 -3.18 3.45 0.00 -1.01 -4.84 120.51 114.82 1a6t n ALA 83 Ca 0.04 -0.20 0.03 0.00 0.00 0.00 0.00 53.44 53.31 1a6t n ALA 83 Cb 0.45 -2.89 0.00 0.00 0.00 0.00 0.00 19.45 17.02 1a6t n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6t n ALA 84 N 11.21 -0.60 -2.94 0.00 0.00 -1.18 -4.93 120.51 122.08 1a6t n ALA 84 Ca 0.29 -0.16 -0.33 0.00 0.00 0.00 0.00 53.44 53.24 1a6t n ALA 84 Cb 0.44 0.05 -0.13 0.00 0.00 0.00 0.00 19.45 19.81 1a6t n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1a6t s THR 85 N -2.25 3.55 -0.15 0.00 2.01 -0.06 -1.23 115.64 117.50 1a6t s THR 85 Ca 0.05 -0.49 -0.05 0.00 0.31 0.00 0.00 61.69 61.51 1a6t s THR 85 Cb -0.00 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 1a6t s THR 85 CO 0.00 0.52 0.01 -0.31 -0.69 0.00 0.00 174.62 174.15 1a6t s TYR 86 N 0.20 3.15 -0.03 4.92 1.51 -0.50 0.03 117.35 126.62 1a6t s TYR 86 Ca -0.04 -0.04 0.05 0.00 -1.01 0.00 0.00 57.07 56.02 1a6t s TYR 86 Cb -0.14 -1.98 -0.01 0.00 -0.11 0.00 0.00 41.96 39.72 1a6t s TYR 86 CO 0.04 0.15 -0.17 0.71 -1.11 0.00 0.00 175.55 175.16 1a6t s TYR 87 N 0.11 1.65 0.12 2.71 2.02 -0.69 -1.48 117.35 121.79 1a6t s TYR 87 Ca 0.02 -0.42 -0.02 0.00 -0.37 0.00 0.00 57.07 56.28 1a6t s TYR 87 Cb -0.13 -1.09 -0.05 0.00 -0.40 0.00 0.00 41.96 40.29 1a6t s TYR 87 CO 0.02 -0.12 0.32 0.00 -1.57 0.00 0.00 175.55 174.19 1a6t s GLN 89 N -2.71 0.56 0.04 0.00 -0.44 0.18 -0.63 119.66 116.65 1a6t s GLN 89 Ca 0.38 -0.60 0.00 0.00 -2.50 0.00 0.00 55.36 52.64 1a6t s GLN 89 Cb -0.12 -0.43 -0.03 0.00 -1.64 0.00 0.00 33.01 30.79 1a6t s GLN 89 CO 0.27 0.10 -0.04 -1.14 0.50 0.00 0.00 175.29 174.97 1a6t s GLN 90 N -1.11 0.46 -0.31 1.67 -0.44 -0.22 -0.90 119.66 118.80 1a6t s GLN 90 Ca -0.05 -0.85 0.17 0.00 -2.50 0.00 0.00 55.36 52.13 1a6t s GLN 90 Cb -0.07 0.07 0.45 0.00 -1.64 0.00 0.00 33.01 31.81 1a6t s GLN 90 CO 0.00 -0.05 1.36 0.98 0.50 0.00 0.00 175.29 178.09 1a6t n TYR 91 N 1.06 -0.75 0.02 1.67 9.36 -1.26 -2.00 117.16 125.27 1a6t n TYR 91 Ca -0.20 -1.91 -0.21 0.00 3.32 0.00 0.00 57.90 58.90 1a6t n TYR 91 Cb 0.57 0.84 -0.14 0.00 -0.63 0.00 0.00 39.34 39.98 1a6t n TYR 91 CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 1a6t h SER 92 N 1.68 0.45 -1.80 2.98 0.02 -1.92 -3.48 113.55 111.49 1a6t h SER 92 Ca -0.32 -0.89 -0.43 0.00 -0.84 0.00 0.00 61.79 59.31 1a6t h SER 92 Cb 1.29 -0.15 0.02 0.00 0.14 0.00 0.00 62.40 63.70 1a6t h SER 92 CO -0.03 1.78 -0.26 -0.94 -1.14 0.00 0.00 176.83 176.24 1a6t s SER 93 N -7.06 5.77 0.00 3.07 1.04 -1.26 -5.05 113.70 110.20 1a6t s SER 93 Ca -0.19 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1a6t s SER 93 Cb 0.06 -0.99 0.00 0.00 0.10 0.00 0.00 66.02 65.19 1a6t s SER 93 CO 0.80 -0.66 0.29 1.57 0.98 0.00 0.00 173.24 176.23 1a6t n HIS 94 N -1.83 0.00 -1.54 5.02 -0.00 -1.26 -4.27 115.22 111.34 1a6t n HIS 94 Ca 0.04 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.41 1a6t n HIS 94 Cb 0.59 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.52 1a6t n HIS 94 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1a6t n PRO 95 N -0.35 0.82 -1.64 1.57 -0.02 -1.26 -4.73 135.00 129.40 1a6t n PRO 95 Ca 0.00 -0.07 -0.48 0.00 -2.02 0.00 0.00 63.50 60.93 1a6t n PRO 95 Cb 0.00 -3.13 -0.04 0.00 -0.02 0.00 0.00 33.50 30.31 1a6t n PRO 95 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1a6t n LEU 96 N 15.17 2.56 -4.36 2.45 -0.00 -1.26 -3.95 117.00 127.61 1a6t n LEU 96 Ca 0.43 1.11 -0.18 0.00 -0.00 0.00 0.00 56.01 57.36 1a6t n LEU 96 Cb 0.45 -1.34 -0.10 0.00 -0.00 0.00 0.00 43.42 42.43 1a6t n LEU 96 CO 0.74 -0.61 -0.37 0.42 -0.00 0.00 0.00 177.39 177.57 1a6t s THR 97 N 0.56 1.38 0.15 1.47 -4.23 -0.85 -4.98 115.64 109.15 1a6t s THR 97 Ca 0.78 -2.10 0.10 0.00 -1.18 0.00 0.00 61.69 59.29 1a6t s THR 97 Cb -0.77 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 70.76 1a6t s THR 97 CO 0.43 -0.41 -0.22 -0.36 -0.54 0.00 0.00 174.62 173.52 1a6t s PHE 98 N -3.19 2.04 0.70 3.99 0.40 -1.26 -1.06 117.98 119.59 1a6t s PHE 98 Ca 0.26 -0.41 -0.12 0.00 -0.60 0.00 0.00 56.93 56.07 1a6t s PHE 98 Cb 0.04 -1.06 0.16 0.00 0.51 0.00 0.00 43.02 42.67 1a6t s PHE 98 CO 0.08 0.34 0.84 0.41 0.70 0.00 0.00 175.22 177.60 1a6t n GLY 99 N 0.62 -1.74 0.20 4.36 0.00 0.20 -4.55 105.19 104.28 1a6t n GLY 99 Ca -0.16 -1.63 0.06 0.00 0.00 0.00 0.00 46.02 44.29 1a6t n GLY 99 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1a6t h GLY 100 N -1.39 0.00 0.00 -0.02 0.00 -1.89 -3.45 103.07 96.32 1a6t h GLY 100 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1a6t h GLY 100 CO 0.19 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.34 1a6t n GLY 101 N -0.03 1.00 3.09 4.60 0.00 -1.26 -5.02 105.19 107.57 1a6t n GLY 101 Ca -0.01 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 1a6t n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a6t s THR 102 N -1.22 1.84 -0.35 2.61 2.01 -0.55 -4.69 115.64 115.30 1a6t s THR 102 Ca 0.00 -0.82 -0.20 0.00 0.31 0.00 0.00 61.69 60.98 1a6t s THR 102 Cb 0.00 -1.67 -0.00 0.00 0.01 0.00 0.00 72.50 70.84 1a6t s THR 102 CO 0.00 0.51 0.60 -0.75 -0.69 0.00 0.00 174.62 174.28 1a6t s LYS 103 N 1.18 3.69 -0.25 4.92 2.20 -0.87 -1.42 119.74 129.21 1a6t s LYS 103 Ca 0.00 0.02 -0.20 0.00 -0.36 0.00 0.00 55.97 55.44 1a6t s LYS 103 Cb -0.14 -3.80 -0.02 0.00 -1.51 0.00 0.00 37.83 32.36 1a6t s LYS 103 CO -0.08 -0.68 0.61 -1.17 -0.36 0.00 0.00 175.35 173.67 1a6t s LEU 104 N 2.60 4.07 -0.06 5.43 2.96 -0.37 -0.66 118.68 132.66 1a6t s LEU 104 Ca 0.23 0.69 0.06 0.00 -0.22 0.00 0.00 54.13 54.89 1a6t s LEU 104 Cb -0.15 -2.82 -0.01 0.00 0.50 0.00 0.00 46.19 43.71 1a6t s LEU 104 CO 0.14 -0.34 -0.25 -1.61 -1.32 0.00 0.00 176.35 172.97 1a6t s GLU 105 N 2.36 2.52 0.30 1.98 2.02 0.14 -3.08 118.70 124.96 1a6t s GLU 105 Ca 0.26 -0.91 -0.18 0.00 0.02 0.00 0.00 54.97 54.16 1a6t s GLU 105 Cb -0.16 -2.15 -0.09 0.00 0.10 0.00 0.00 34.13 31.83 1a6t s GLU 105 CO 0.09 0.39 0.77 -0.51 0.02 0.00 0.00 175.26 176.02 1a6t s LEU 106 N -0.19 4.16 0.02 1.80 2.01 -1.26 -0.84 118.68 124.38 1a6t s LEU 106 Ca -0.03 1.41 -0.03 0.00 0.01 0.00 0.00 54.13 55.50 1a6t s LEU 106 Cb -0.14 -3.98 -0.04 0.00 0.01 0.00 0.00 46.19 42.04 1a6t s LEU 106 CO 0.03 -0.14 0.22 -0.75 1.01 0.00 0.00 176.35 176.72 1a6t s LYS 107 N -2.62 3.48 0.29 1.70 2.20 0.21 -4.80 119.74 120.20 1a6t s LYS 107 Ca 0.51 -0.30 -0.03 0.00 -0.36 0.00 0.00 55.97 55.79 1a6t s LYS 107 Cb -0.13 -3.06 -0.01 0.00 -1.51 0.00 0.00 37.83 33.12 1a6t s LYS 107 CO 0.18 0.64 0.39 -0.98 -0.36 0.00 0.00 175.35 175.22 1a6t s ARG 108 N -2.12 1.68 0.19 4.03 1.70 -1.26 -4.57 118.95 118.60 1a6t s ARG 108 Ca 0.31 -1.65 -0.31 0.00 -0.47 0.00 0.00 55.73 53.60 1a6t s ARG 108 Cb -0.13 0.40 -0.11 0.00 -0.57 0.00 0.00 34.95 34.55 1a6t s ARG 108 CO 0.21 -0.67 1.59 0.00 -1.08 0.00 0.00 175.30 175.35 1a6t s ALA 109 N -3.51 3.80 0.33 7.88 0.00 -1.26 -4.92 121.76 124.07 1a6t s ALA 109 Ca 0.31 1.43 -0.25 0.00 0.00 0.00 0.00 51.96 53.46 1a6t s ALA 109 Cb 0.01 -3.63 -0.15 0.00 0.00 0.00 0.00 23.12 19.35 1a6t s ALA 109 CO 0.17 -0.82 0.49 -0.25 0.00 0.00 0.00 175.76 175.35 1a6t n ASP 110 N 3.70 -1.19 -3.71 0.00 9.92 -1.26 -4.80 116.55 119.21 1a6t n ASP 110 Ca 0.13 0.99 -0.13 0.00 -0.53 0.00 0.00 54.79 55.25 1a6t n ASP 110 Cb 0.38 -1.03 -0.13 0.00 -0.64 0.00 0.00 41.12 39.70 1a6t n ASP 110 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a6t s ALA 111 N -1.31 -0.52 0.45 2.24 0.00 -1.26 -4.93 121.76 116.43 1a6t s ALA 111 Ca 0.62 0.94 -0.23 0.00 0.00 0.00 0.00 51.96 53.29 1a6t s ALA 111 Cb -0.73 -0.75 -0.08 0.00 0.00 0.00 0.00 23.12 21.56 1a6t s ALA 111 CO 0.59 -0.35 1.14 0.00 0.00 0.00 0.00 175.76 177.14 1a6t s ALA 112 N 1.66 2.99 0.41 0.00 0.00 -1.26 -2.30 121.76 123.26 1a6t s ALA 112 Ca -0.05 0.88 -0.22 0.00 0.00 0.00 0.00 51.96 52.57 1a6t s ALA 112 Cb -0.11 -3.36 -0.11 0.00 0.00 0.00 0.00 23.12 19.54 1a6t s ALA 112 CO -0.08 -0.57 0.95 -1.25 0.00 0.00 0.00 175.76 174.81 1a6t s PRO 113 N -2.67 4.31 -0.30 0.00 0.04 -1.26 -4.34 135.00 130.76 1a6t s PRO 113 Ca 0.63 1.16 -0.15 0.00 0.04 0.00 0.00 61.00 62.68 1a6t s PRO 113 Cb -0.27 -2.32 -0.03 0.00 0.04 0.00 0.00 34.50 31.92 1a6t s PRO 113 CO 0.33 0.04 0.37 0.99 0.04 0.00 0.00 177.00 178.77 1a6t s THR 114 N -2.05 5.17 -0.04 1.26 2.01 0.14 -4.85 115.64 117.28 1a6t s THR 114 Ca 0.59 0.32 -0.08 0.00 0.31 0.00 0.00 61.69 62.83 1a6t s THR 114 Cb -0.11 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 1a6t s THR 114 CO 0.15 0.04 0.25 -0.69 -0.69 0.00 0.00 174.62 173.68 1a6t s VAL 115 N 2.05 5.32 -0.11 3.82 1.01 -1.26 -1.23 120.40 130.01 1a6t s VAL 115 Ca 0.13 0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.33 1a6t s VAL 115 Cb -0.16 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.72 1a6t s VAL 115 CO 0.11 0.49 0.28 -0.44 0.00 0.00 0.00 175.10 175.53 1a6t s SER 116 N -1.38 -0.30 -0.02 3.32 0.01 -0.77 -4.98 113.70 109.57 1a6t s SER 116 Ca 0.23 0.58 0.07 0.00 1.31 0.00 0.00 55.95 58.13 1a6t s SER 116 Cb -0.13 0.51 -0.02 0.00 0.21 0.00 0.00 66.02 66.59 1a6t s SER 116 CO 0.12 -0.14 -0.23 -0.51 0.41 0.00 0.00 173.24 172.88 1a6t s ILE 117 N 0.84 1.86 -0.08 1.44 2.07 -1.26 -0.69 121.20 125.37 1a6t s ILE 117 Ca -0.06 -1.00 0.02 0.00 -1.41 0.00 0.00 60.65 58.21 1a6t s ILE 117 Cb -0.07 -1.55 0.01 0.00 0.13 0.00 0.00 42.46 40.99 1a6t s ILE 117 CO -0.06 0.52 -0.14 -0.36 -1.91 0.00 0.00 174.94 173.00 1a6t s PHE 118 N -0.47 1.71 0.90 3.50 0.40 -0.02 -5.01 117.98 118.98 1a6t s PHE 118 Ca 0.07 -0.71 -0.13 0.00 -0.60 0.00 0.00 56.93 55.56 1a6t s PHE 118 Cb -0.10 -1.24 0.13 0.00 0.51 0.00 0.00 43.02 42.32 1a6t s PHE 118 CO -0.00 -0.36 1.17 -1.25 0.70 0.00 0.00 175.22 175.48 1a6t s PRO 119 N 0.80 1.24 0.47 0.24 0.04 -1.26 -2.72 135.00 133.80 1a6t s PRO 119 Ca -0.11 0.12 -0.24 0.00 0.04 0.00 0.00 61.00 60.81 1a6t s PRO 119 Cb -0.16 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 1a6t s PRO 119 CO 0.02 -2.10 1.26 -2.14 0.04 0.00 0.00 177.00 174.08 1a6t s PRO 120 N -5.47 3.65 0.59 0.56 0.02 -1.23 -4.86 135.00 128.26 1a6t s PRO 120 Ca 0.65 2.02 -0.17 0.00 0.02 0.00 0.00 61.00 63.52 1a6t s PRO 120 Cb -0.12 -2.47 -0.03 0.00 0.02 0.00 0.00 34.50 31.90 1a6t s PRO 120 CO 0.52 -0.71 1.10 -1.54 -0.33 0.00 0.00 177.00 176.04 1a6t s SER 121 N -1.06 5.55 0.52 2.53 1.04 -1.26 -4.90 113.70 116.11 1a6t s SER 121 Ca 0.64 2.02 0.27 0.00 0.48 0.00 0.00 55.95 59.36 1a6t s SER 121 Cb -0.35 -2.56 1.41 0.00 0.10 0.00 0.00 66.02 64.62 1a6t s SER 121 CO 0.43 -1.33 2.05 0.77 0.98 0.00 0.00 173.24 176.13 1a6t h SER 122 N 0.64 0.00 -0.39 7.02 4.64 -1.99 -1.70 113.55 121.77 1a6t h SER 122 Ca -0.48 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 1a6t h SER 122 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1a6t h SER 122 CO 0.56 0.13 0.11 -0.33 -0.87 0.00 0.00 176.83 176.43 1a6t h GLU 123 N 0.00 0.62 -0.31 4.77 3.07 -1.99 -2.17 114.58 118.56 1a6t h GLU 123 Ca -0.00 -0.14 -0.12 0.00 -0.50 0.00 0.00 59.36 58.60 1a6t h GLU 123 Cb 0.38 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1a6t h GLU 123 CO 0.02 0.63 -0.30 0.37 -1.40 0.00 0.00 179.01 178.33 1a6t h GLN 124 N 0.49 0.66 -0.55 2.33 4.15 -1.64 -3.06 115.11 117.49 1a6t h GLN 124 Ca 0.13 -0.29 -0.09 0.00 0.77 0.00 0.00 58.65 59.16 1a6t h GLN 124 Cb 0.28 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 1a6t h GLN 124 CO -0.00 0.88 -0.02 -0.07 -1.93 0.00 0.00 178.83 177.69 1a6t h LEU 125 N 0.56 0.97 -0.28 -2.39 3.38 -1.37 -1.97 115.31 114.21 1a6t h LEU 125 Ca 0.07 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1a6t h LEU 125 Cb 0.80 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1a6t h LEU 125 CO 0.07 1.05 0.00 0.41 0.09 0.00 0.00 178.44 180.06 1a6t n THR 126 N -4.24 1.06 0.61 0.22 -1.04 -0.83 -0.76 114.28 109.31 1a6t n THR 126 Ca 0.02 0.30 0.12 0.00 -2.04 0.00 0.00 64.05 62.44 1a6t n THR 126 Cb 0.35 -1.14 0.16 0.00 -1.82 0.00 0.00 70.33 67.87 1a6t n THR 126 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1a6t n SER 127 N -1.76 3.19 0.00 8.00 3.41 -0.80 -4.97 113.62 120.70 1a6t n SER 127 Ca 0.02 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 1a6t n SER 127 Cb 0.16 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1a6t n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a6t n GLY 128 N 1.38 2.29 3.96 5.00 0.00 0.06 -5.05 105.19 112.83 1a6t n GLY 128 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1a6t n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a6t s GLY 129 N -2.26 2.08 -0.28 -0.02 0.00 -0.87 -1.12 107.32 104.85 1a6t s GLY 129 Ca 0.00 -1.69 -0.03 0.00 0.00 0.00 0.00 44.72 43.00 1a6t s GLY 129 CO 0.00 -1.80 0.53 0.00 0.00 0.00 0.00 173.10 171.83 1a6t s ALA 130 N -2.69 -1.82 -0.11 3.20 0.00 -0.93 -3.34 121.76 116.07 1a6t s ALA 130 Ca 0.47 1.64 0.01 0.00 0.00 0.00 0.00 51.96 54.08 1a6t s ALA 130 Cb -0.04 -1.91 -0.02 0.00 0.00 0.00 0.00 23.12 21.16 1a6t s ALA 130 CO 0.29 -1.20 -0.14 -1.12 0.00 0.00 0.00 175.76 173.59 1a6t s SER 131 N 2.76 3.97 -0.26 0.00 0.01 -1.26 -0.82 113.70 118.10 1a6t s SER 131 Ca 0.13 -0.31 -0.05 0.00 1.31 0.00 0.00 55.95 57.03 1a6t s SER 131 Cb -0.14 -1.41 -0.00 0.00 0.21 0.00 0.00 66.02 64.67 1a6t s SER 131 CO -0.19 0.21 0.03 -0.69 0.41 0.00 0.00 173.24 173.01 1a6t s VAL 132 N 0.09 3.73 0.00 3.43 1.01 0.18 -3.49 120.40 125.35 1a6t s VAL 132 Ca -0.06 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 1a6t s VAL 132 Cb -0.15 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1a6t s VAL 132 CO 0.05 0.25 0.09 -0.69 0.00 0.00 0.00 175.10 174.80 1a6t s VAL 133 N 1.50 4.79 -0.06 2.92 1.01 -1.10 -0.58 120.40 128.88 1a6t s VAL 133 Ca 0.04 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1a6t s VAL 133 Cb -0.16 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 33.04 1a6t s VAL 133 CO 0.00 0.33 -0.03 0.00 0.00 0.00 0.00 175.10 175.40 1a6t s PHE 135 N 1.31 2.93 -0.54 0.00 0.08 0.13 -1.32 117.98 120.58 1a6t s PHE 135 Ca -0.05 -0.96 -0.02 0.00 0.12 0.00 0.00 56.93 56.03 1a6t s PHE 135 Cb -0.14 -2.06 0.14 0.00 -0.57 0.00 0.00 43.02 40.40 1a6t s PHE 135 CO -0.02 -0.53 0.33 -0.51 -0.10 0.00 0.00 175.22 174.39 1a6t s LEU 136 N 1.32 5.09 0.19 -0.37 1.02 -0.10 -1.85 118.68 123.99 1a6t s LEU 136 Ca 0.04 -2.61 0.08 0.00 0.02 0.00 0.00 54.13 51.66 1a6t s LEU 136 Cb -0.14 -1.81 -0.04 0.00 0.02 0.00 0.00 46.19 44.22 1a6t s LEU 136 CO -0.03 -0.40 -0.04 0.20 0.02 0.00 0.00 176.35 176.10 1a6t s ASN 137 N 0.88 4.53 -1.43 2.29 0.01 -0.36 -1.32 114.94 119.53 1a6t s ASN 137 Ca 0.14 -0.51 -0.00 0.00 -0.71 0.00 0.00 52.86 51.78 1a6t s ASN 137 Cb -0.22 -0.87 0.00 0.00 0.41 0.00 0.00 41.25 40.57 1a6t s ASN 137 CO -0.03 0.08 0.04 0.59 -1.51 0.00 0.00 177.10 176.27 1a6t n ASN 138 N -0.20 -5.01 -4.92 -1.22 4.13 -0.45 0.27 115.26 107.86 1a6t n ASN 138 Ca -0.09 -0.04 -0.26 0.00 1.68 0.00 0.00 54.58 55.87 1a6t n ASN 138 Cb 0.56 -4.09 -0.00 0.00 -1.54 0.00 0.00 39.78 34.71 1a6t n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1a6t s PHE 139 N -2.86 3.54 0.00 3.10 -0.71 -0.80 -4.59 117.98 115.66 1a6t s PHE 139 Ca 0.02 0.66 0.00 0.00 -1.04 0.00 0.00 56.93 56.58 1a6t s PHE 139 Cb -0.01 -2.17 0.00 0.00 -1.21 0.00 0.00 43.02 39.63 1a6t s PHE 139 CO 0.03 -0.15 0.00 0.98 -1.34 0.00 0.00 175.22 174.74 1a6t n TYR 140 N -2.10 0.00 -1.46 3.49 9.36 -0.97 0.14 117.16 125.62 1a6t n TYR 140 Ca -0.01 0.00 -0.47 0.00 3.32 0.00 0.00 57.90 60.74 1a6t n TYR 140 Cb 0.55 -0.02 -0.08 0.00 -0.63 0.00 0.00 39.34 39.17 1a6t n TYR 140 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1a6t n PRO 141 N -1.78 0.81 -0.54 2.98 -0.02 -1.26 -4.50 135.00 130.69 1a6t n PRO 141 Ca 0.00 0.17 0.42 0.00 -2.02 0.00 0.00 63.50 62.07 1a6t n PRO 141 Cb 0.00 -2.39 0.67 0.00 -0.02 0.00 0.00 33.50 31.76 1a6t n PRO 141 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1a6t n LYS 142 N 8.34 -0.01 -2.19 -0.52 4.81 -1.26 -4.43 118.16 122.89 1a6t n LYS 142 Ca 0.46 1.01 -0.43 0.00 -0.87 0.00 0.00 58.31 58.49 1a6t n LYS 142 Cb 0.23 -2.19 -0.02 0.00 0.02 0.00 0.00 35.03 33.07 1a6t n LYS 142 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1a6t s ASP 143 N -4.05 6.77 0.09 3.14 1.01 -1.26 -5.00 116.67 117.37 1a6t s ASP 143 Ca -0.05 1.96 -0.15 0.00 0.71 0.00 0.00 52.55 55.02 1a6t s ASP 143 Cb 0.25 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.67 1a6t s ASP 143 CO 0.76 -0.87 0.37 -0.51 0.21 0.00 0.00 175.17 175.12 1a6t s ILE 144 N 3.87 0.08 -0.05 0.77 2.07 -1.26 -4.55 121.20 122.13 1a6t s ILE 144 Ca 0.65 -0.63 0.03 0.00 -1.41 0.00 0.00 60.65 59.29 1a6t s ILE 144 Cb -0.28 -1.10 0.01 0.00 0.13 0.00 0.00 42.46 41.22 1a6t s ILE 144 CO 0.23 -0.35 -0.11 0.20 -1.91 0.00 0.00 174.94 173.00 1a6t s ASN 145 N -2.51 1.55 -0.04 4.50 -0.87 -0.43 -4.96 114.94 112.18 1a6t s ASN 145 Ca 0.00 -0.25 0.05 0.00 -1.57 0.00 0.00 52.86 51.09 1a6t s ASN 145 Cb 0.01 -0.58 -0.02 0.00 -0.02 0.00 0.00 41.25 40.64 1a6t s ASN 145 CO -0.08 0.05 -0.19 -0.69 -2.57 0.00 0.00 177.10 173.62 1a6t s VAL 146 N 0.44 2.69 -0.05 1.60 1.01 -1.26 -0.41 120.40 124.42 1a6t s VAL 146 Ca -0.09 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 1a6t s VAL 146 Cb -0.13 -2.02 0.03 0.00 0.00 0.00 0.00 36.38 34.27 1a6t s VAL 146 CO 0.02 0.58 0.08 -0.75 0.00 0.00 0.00 175.10 175.04 1a6t s LYS 147 N -0.63 -0.03 -0.08 2.72 2.20 0.13 -4.96 119.74 119.09 1a6t s LYS 147 Ca 0.10 0.36 -0.16 0.00 -0.36 0.00 0.00 55.97 55.91 1a6t s LYS 147 Cb -0.11 -0.36 -0.05 0.00 -1.51 0.00 0.00 37.83 35.81 1a6t s LYS 147 CO 0.00 -0.26 0.43 -1.58 -0.36 0.00 0.00 175.35 173.58 1a6t s TRP 148 N 1.79 3.58 -0.10 4.03 0.52 -1.26 -0.40 118.94 127.09 1a6t s TRP 148 Ca -0.01 0.89 0.01 0.00 0.02 0.00 0.00 56.10 57.01 1a6t s TRP 148 Cb -0.12 -2.44 0.02 0.00 -1.15 0.00 0.00 33.47 29.78 1a6t s TRP 148 CO -0.04 0.34 -0.14 0.15 0.02 0.00 0.00 176.95 177.28 1a6t s LYS 149 N 0.02 2.04 -0.22 4.98 1.02 -0.07 0.18 119.74 127.70 1a6t s LYS 149 Ca 0.24 -0.50 -0.06 0.00 0.02 0.00 0.00 55.97 55.67 1a6t s LYS 149 Cb -0.15 -1.77 -0.03 0.00 -0.52 0.00 0.00 37.83 35.36 1a6t s LYS 149 CO 0.10 -0.08 0.03 0.42 -0.92 0.00 0.00 175.35 174.90 1a6t s ILE 150 N 1.04 4.11 -1.53 2.17 1.01 0.84 -0.67 121.20 128.17 1a6t s ILE 150 Ca -0.06 -0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.28 1a6t s ILE 150 Cb -0.15 -2.88 0.05 0.00 0.01 0.00 0.00 42.46 39.49 1a6t s ILE 150 CO -0.02 0.40 0.42 0.47 0.00 0.00 0.00 174.94 176.21 1a6t n ASP 151 N 4.47 -0.81 0.00 3.58 8.00 0.79 -0.13 116.55 132.45 1a6t n ASP 151 Ca -0.17 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.25 1a6t n ASP 151 Cb 0.52 -2.60 0.00 0.00 -0.02 0.00 0.00 41.12 39.02 1a6t n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a6t n GLY 152 N -1.94 0.63 3.40 0.44 0.00 -1.26 -5.01 105.19 101.46 1a6t n GLY 152 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1a6t n GLY 152 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a6t s SER 153 N -2.45 3.76 0.09 1.61 0.15 0.81 -5.05 113.70 112.63 1a6t s SER 153 Ca 0.00 -0.31 -0.31 0.00 0.70 0.00 0.00 55.95 56.03 1a6t s SER 153 Cb 0.00 -0.97 -0.09 0.00 -1.71 0.00 0.00 66.02 63.25 1a6t s SER 153 CO 0.00 0.28 1.69 -0.70 1.20 0.00 0.00 173.24 175.71 1a6t s GLU 154 N -0.38 4.18 -0.12 5.44 2.12 -1.26 -0.11 118.70 128.58 1a6t s GLU 154 Ca 0.04 2.41 -0.03 0.00 0.36 0.00 0.00 54.97 57.74 1a6t s GLU 154 Cb -0.12 -3.54 -0.03 0.00 0.26 0.00 0.00 34.13 30.69 1a6t s GLU 154 CO 0.02 -0.75 -0.01 0.50 -0.54 0.00 0.00 175.26 174.48 1a6t s ARG 155 N 2.49 3.28 0.00 4.30 6.06 0.13 -4.90 118.95 130.31 1a6t s ARG 155 Ca 0.75 -0.45 0.00 0.00 -2.50 0.00 0.00 55.73 53.53 1a6t s ARG 155 Cb -0.42 -2.85 0.00 0.00 0.06 0.00 0.00 34.95 31.74 1a6t s ARG 155 CO 0.33 0.51 0.00 1.04 -2.50 0.00 0.00 175.30 174.69 1a6t n GLN 156 N 2.72 0.43 -2.49 5.12 1.13 -1.26 -4.21 117.38 118.83 1a6t n GLN 156 Ca -0.18 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.47 1a6t n GLN 156 Cb 0.53 -0.87 -0.04 0.00 0.11 0.00 0.00 30.24 29.97 1a6t n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1a6t s ASN 157 N -3.57 7.24 0.00 1.08 0.01 -1.26 -3.58 114.94 114.86 1a6t s ASN 157 Ca 0.00 2.14 0.00 0.00 -0.71 0.00 0.00 52.86 54.29 1a6t s ASN 157 Cb 0.00 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 39.05 1a6t s ASN 157 CO 0.00 -0.23 0.00 0.61 -1.51 0.00 0.00 177.10 175.97 1a6t n GLY 158 N 1.93 0.81 3.69 0.66 0.00 -1.26 -4.81 105.19 106.21 1a6t n GLY 158 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1a6t n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a6t s VAL 159 N -3.13 4.94 -0.25 1.61 1.01 -1.24 -1.76 120.40 121.58 1a6t s VAL 159 Ca 0.00 1.60 0.03 0.00 0.00 0.00 0.00 61.98 63.61 1a6t s VAL 159 Cb 0.00 -4.12 0.06 0.00 0.00 0.00 0.00 36.38 32.32 1a6t s VAL 159 CO 0.00 0.11 -0.12 -0.22 0.00 0.00 0.00 175.10 174.88 1a6t s LEU 160 N 1.60 3.32 0.07 3.92 2.96 0.11 -4.96 118.68 125.70 1a6t s LEU 160 Ca 0.39 -1.33 0.04 0.00 -0.22 0.00 0.00 54.13 53.01 1a6t s LEU 160 Cb -0.17 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 1a6t s LEU 160 CO 0.16 -0.17 0.02 0.20 -1.32 0.00 0.00 176.35 175.23 1a6t s ASN 161 N 1.12 5.17 -0.01 3.68 0.02 -1.26 -1.17 114.94 122.48 1a6t s ASN 161 Ca -0.08 -0.11 -0.13 0.00 -1.02 0.00 0.00 52.86 51.52 1a6t s ASN 161 Cb -0.19 -1.29 0.02 0.00 0.02 0.00 0.00 41.25 39.81 1a6t s ASN 161 CO -0.06 0.19 0.28 -0.55 0.02 0.00 0.00 177.10 176.98 1a6t s SER 162 N -2.22 -0.16 0.01 -1.22 0.15 -0.48 -5.01 113.70 104.78 1a6t s SER 162 Ca 0.26 0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.98 1a6t s SER 162 Cb -0.12 0.30 -0.01 0.00 -1.71 0.00 0.00 66.02 64.48 1a6t s SER 162 CO 0.18 -0.43 -0.09 0.26 1.20 0.00 0.00 173.24 174.36 1a6t s TRP 163 N -1.31 0.78 0.63 3.44 0.52 -1.26 -1.45 118.94 120.29 1a6t s TRP 163 Ca -0.14 -0.23 -0.00 0.00 0.02 0.00 0.00 56.10 55.75 1a6t s TRP 163 Cb -0.06 -0.48 0.07 0.00 -1.15 0.00 0.00 33.47 31.85 1a6t s TRP 163 CO 0.04 -0.02 0.88 0.95 0.02 0.00 0.00 176.95 178.82 1a6t s THR 164 N -0.51 2.43 0.91 2.01 -4.23 -0.94 -5.04 115.64 110.27 1a6t s THR 164 Ca 0.00 -0.59 -0.14 0.00 -1.18 0.00 0.00 61.69 59.78 1a6t s THR 164 Cb -0.05 -2.83 0.17 0.00 1.34 0.00 0.00 72.50 71.13 1a6t s THR 164 CO 0.00 0.00 1.27 -1.81 -0.54 0.00 0.00 174.62 173.54 1a6t s ASP 165 N -4.55 3.47 0.27 3.99 1.01 -1.26 -4.68 116.67 114.93 1a6t s ASP 165 Ca 0.61 0.30 -0.30 0.00 0.71 0.00 0.00 52.55 53.88 1a6t s ASP 165 Cb -0.09 -0.46 -0.11 0.00 1.01 0.00 0.00 42.92 43.28 1a6t s ASP 165 CO 0.41 -2.51 1.48 -1.58 0.21 0.00 0.00 175.17 173.19 1a6t s GLN 166 N -5.77 4.22 0.19 8.23 0.74 -1.26 -4.71 119.66 121.29 1a6t s GLN 166 Ca 0.71 2.40 -0.30 0.00 0.05 0.00 0.00 55.36 58.22 1a6t s GLN 166 Cb -0.05 -3.07 -0.09 0.00 1.10 0.00 0.00 33.01 30.90 1a6t s GLN 166 CO 0.51 -0.48 1.30 0.34 -0.55 0.00 0.00 175.29 176.41 1a6t s ASP 167 N 0.33 6.92 0.11 6.67 -1.08 0.15 -4.88 116.67 124.89 1a6t s ASP 167 Ca 0.60 2.37 -0.21 0.00 -0.52 0.00 0.00 52.55 54.79 1a6t s ASP 167 Cb -0.44 -2.61 -0.09 0.00 -1.46 0.00 0.00 42.92 38.32 1a6t s ASP 167 CO 0.46 -0.51 1.75 0.77 0.52 0.00 0.00 175.17 178.16 1a6t h SER 168 N 5.43 0.06 -0.01 -0.34 4.64 -1.91 0.15 113.55 121.58 1a6t h SER 168 Ca -0.45 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1a6t h SER 168 Cb 1.21 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1a6t h SER 168 CO 0.77 0.05 -0.01 0.50 -0.87 0.00 0.00 176.83 177.28 1a6t h LYS 169 N 0.11 0.03 -0.04 4.77 3.64 -1.99 -3.40 116.57 119.69 1a6t h LYS 169 Ca 0.05 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1a6t h LYS 169 Cb 0.02 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1a6t h LYS 169 CO -0.04 0.47 0.00 -0.40 -2.27 0.00 0.00 179.45 177.20 1a6t n ASP 170 N -4.85 1.75 -2.30 4.20 5.68 -1.22 -5.01 116.55 114.79 1a6t n ASP 170 Ca -0.08 -1.59 -0.20 0.00 -0.50 0.00 0.00 54.79 52.42 1a6t n ASP 170 Cb 0.24 -0.03 -0.01 0.00 -1.14 0.00 0.00 41.12 40.18 1a6t n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1a6t n SER 171 N -0.09 -5.73 -4.74 -1.12 7.64 0.54 -4.94 113.62 105.18 1a6t n SER 171 Ca 0.02 -0.02 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 1a6t n SER 171 Cb 0.18 -4.75 -0.07 0.00 -1.01 0.00 0.00 64.21 58.56 1a6t n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1a6t s THR 172 N -3.00 2.24 0.46 0.44 -4.23 -1.26 -4.65 115.64 105.63 1a6t s THR 172 Ca 0.00 -1.71 0.05 0.00 -1.18 0.00 0.00 61.69 58.85 1a6t s THR 172 Cb -0.00 -2.95 -0.03 0.00 1.34 0.00 0.00 72.50 70.85 1a6t s THR 172 CO 0.01 0.00 0.12 -0.31 -0.54 0.00 0.00 174.62 173.89 1a6t s TYR 173 N -2.62 2.22 -0.08 3.99 2.02 0.37 -0.68 117.35 122.57 1a6t s TYR 173 Ca 0.40 -0.76 -0.10 0.00 -0.37 0.00 0.00 57.07 56.24 1a6t s TYR 173 Cb 0.04 -1.81 0.02 0.00 -0.40 0.00 0.00 41.96 39.82 1a6t s TYR 173 CO 0.22 0.16 0.27 -1.12 -1.57 0.00 0.00 175.55 173.51 1a6t s SER 174 N -3.91 -0.24 -0.01 2.29 0.01 -1.26 -1.34 113.70 109.25 1a6t s SER 174 Ca 0.28 0.41 0.01 0.00 1.31 0.00 0.00 55.95 57.96 1a6t s SER 174 Cb 0.04 0.49 -0.00 0.00 0.21 0.00 0.00 66.02 66.75 1a6t s SER 174 CO 0.15 -0.18 -0.05 -0.32 0.41 0.00 0.00 173.24 173.26 1a6t s MET 175 N -0.24 0.40 -0.07 12.44 0.00 -0.43 -2.21 119.30 129.19 1a6t s MET 175 Ca -0.04 -0.16 0.01 0.00 0.00 0.00 0.00 55.69 55.50 1a6t s MET 175 Cb -0.03 -0.39 -0.03 0.00 0.00 0.00 0.00 34.83 34.38 1a6t s MET 175 CO 0.01 0.09 -0.08 0.45 0.00 0.00 0.00 175.02 175.50 1a6t s SER 176 N -0.06 4.58 -0.08 1.11 0.15 -0.53 -0.92 113.70 117.95 1a6t s SER 176 Ca 0.01 -0.04 -0.02 0.00 0.70 0.00 0.00 55.95 56.60 1a6t s SER 176 Cb -0.02 -1.16 0.03 0.00 -1.71 0.00 0.00 66.02 63.16 1a6t s SER 176 CO -0.00 0.35 0.01 -0.55 1.20 0.00 0.00 173.24 174.25 1a6t s SER 177 N -0.76 1.72 -0.11 5.45 0.15 -0.43 -1.38 113.70 118.33 1a6t s SER 177 Ca 0.12 -0.16 0.03 0.00 0.70 0.00 0.00 55.95 56.64 1a6t s SER 177 Cb -0.11 -0.45 0.01 0.00 -1.71 0.00 0.00 66.02 63.76 1a6t s SER 177 CO 0.01 -0.21 -0.21 -0.89 1.20 0.00 0.00 173.24 173.14 1a6t s THR 178 N 1.97 1.90 -0.25 6.45 2.01 -0.32 -0.51 115.64 126.89 1a6t s THR 178 Ca 0.04 -0.91 -0.07 0.00 0.31 0.00 0.00 61.69 61.07 1a6t s THR 178 Cb -0.13 -1.67 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 1a6t s THR 178 CO -0.06 0.52 0.06 -0.22 -0.69 0.00 0.00 174.62 174.24 1a6t s LEU 179 N 0.60 3.41 -0.17 4.42 2.96 0.26 0.06 118.68 130.23 1a6t s LEU 179 Ca -0.13 -0.22 -0.03 0.00 -0.22 0.00 0.00 54.13 53.53 1a6t s LEU 179 Cb -0.17 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 1a6t s LEU 179 CO 0.04 -0.04 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.08 1a6t s THR 180 N 1.61 3.50 0.46 3.68 2.01 -0.72 -0.65 115.64 125.53 1a6t s THR 180 Ca 0.06 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.59 1a6t s THR 180 Cb -0.15 -2.54 -0.00 0.00 0.01 0.00 0.00 72.50 69.82 1a6t s THR 180 CO 0.03 0.48 0.04 0.18 -0.69 0.00 0.00 174.62 174.65 1a6t n LEU 181 N 3.95 0.00 -4.92 4.42 4.77 -0.00 -4.76 117.00 120.46 1a6t n LEU 181 Ca -0.18 -3.03 -0.29 0.00 -0.03 0.00 0.00 56.01 52.49 1a6t n LEU 181 Cb 0.52 0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 42.08 1a6t n LEU 181 CO 0.31 -0.44 -0.05 0.42 -1.33 0.00 0.00 177.39 176.30 1a6t s THR 182 N -2.82 5.28 0.45 -5.08 -4.23 -1.26 -2.20 115.64 105.78 1a6t s THR 182 Ca 0.05 -0.34 0.27 0.00 -1.18 0.00 0.00 61.69 60.49 1a6t s THR 182 Cb 0.00 -3.68 0.47 0.00 1.34 0.00 0.00 72.50 70.63 1a6t s THR 182 CO 0.04 -0.01 1.74 0.50 -0.54 0.00 0.00 174.62 176.34 1a6t h LYS 183 N 2.55 0.20 0.07 3.99 3.64 -1.32 0.21 116.57 125.91 1a6t h LYS 183 Ca -0.47 -0.01 -0.25 0.00 -1.27 0.00 0.00 60.65 58.65 1a6t h LYS 183 Cb 1.18 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1a6t h LYS 183 CO 0.72 0.13 -1.09 -0.44 -2.27 0.00 0.00 179.45 176.50 1a6t h ASP 184 N 0.21 0.43 -0.25 4.20 3.32 -1.93 -1.45 116.42 120.94 1a6t h ASP 184 Ca 0.65 -0.40 -0.18 0.00 0.02 0.00 0.00 57.03 57.11 1a6t h ASP 184 Cb 2.02 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 41.44 1a6t h ASP 184 CO -0.24 1.26 -0.56 -0.33 -1.72 0.00 0.00 179.24 177.65 1a6t h GLU 185 N 0.13 0.82 -0.02 3.56 5.08 -1.35 -3.13 114.58 119.67 1a6t h GLU 185 Ca -0.10 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 57.71 1a6t h GLU 185 Cb 1.77 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 31.10 1a6t h GLU 185 CO 0.18 1.18 -0.00 -0.92 -1.00 0.00 0.00 179.01 178.44 1a6t h TYR 186 N 0.58 -0.00 0.00 4.33 3.20 -0.67 -2.84 116.97 121.57 1a6t h TYR 186 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1a6t h TYR 186 Cb 1.17 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.44 1a6t h TYR 186 CO 0.08 -0.00 0.00 0.39 -1.64 0.00 0.00 178.16 176.99 1a6t n GLU 187 N -5.09 0.55 -1.15 1.82 1.02 -0.55 -2.84 120.64 114.39 1a6t n GLU 187 Ca -0.07 0.03 -0.18 0.00 -0.02 0.00 0.00 57.16 56.93 1a6t n GLU 187 Cb 0.04 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.11 1a6t n GLU 187 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1a6t n ARG 188 N -1.09 2.28 -4.02 3.49 1.85 -1.07 -4.94 116.66 113.16 1a6t n ARG 188 Ca 0.14 -3.25 -0.09 0.00 -1.00 0.00 0.00 57.85 53.64 1a6t n ARG 188 Cb 0.10 -2.06 -0.06 0.00 -1.05 0.00 0.00 32.46 29.39 1a6t n ARG 188 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1a6t s HIS 189 N -3.40 0.47 0.01 2.89 3.76 -1.13 -5.06 115.29 112.82 1a6t s HIS 189 Ca 0.53 -0.81 0.00 0.00 -0.15 0.00 0.00 55.06 54.63 1a6t s HIS 189 Cb 0.45 0.08 0.00 0.00 1.11 0.00 0.00 32.58 34.22 1a6t s HIS 189 CO 0.03 -0.93 0.00 -1.71 -0.85 0.00 0.00 174.74 171.28 1a6t n ASN 190 N -0.36 0.03 -4.35 1.40 5.15 -1.26 -4.80 115.26 111.07 1a6t n ASN 190 Ca -0.01 0.01 -0.34 0.00 -0.60 0.00 0.00 54.58 53.64 1a6t n ASN 190 Cb 0.62 -0.01 -0.14 0.00 -0.53 0.00 0.00 39.78 39.73 1a6t n ASN 190 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1a6t s SER 191 N -5.03 4.18 -0.15 1.20 1.04 -1.26 -0.11 113.70 113.57 1a6t s SER 191 Ca 0.00 -0.35 -0.04 0.00 0.48 0.00 0.00 55.95 56.05 1a6t s SER 191 Cb 0.00 -1.68 -0.03 0.00 0.10 0.00 0.00 66.02 64.41 1a6t s SER 191 CO 0.00 0.08 -0.03 -0.31 0.98 0.00 0.00 173.24 173.97 1a6t s TYR 192 N 0.86 3.06 0.04 5.02 2.02 -0.43 -0.15 117.35 127.77 1a6t s TYR 192 Ca -0.02 -0.20 0.04 0.00 -0.37 0.00 0.00 57.07 56.52 1a6t s TYR 192 Cb -0.15 -1.94 -0.02 0.00 -0.40 0.00 0.00 41.96 39.45 1a6t s TYR 192 CO 0.01 0.05 -0.13 0.99 -1.57 0.00 0.00 175.55 174.90 1a6t s THR 193 N 0.19 1.00 -0.30 -0.71 2.01 0.15 -2.06 115.64 115.93 1a6t s THR 193 Ca -0.01 -1.01 0.02 0.00 0.31 0.00 0.00 61.69 61.00 1a6t s THR 193 Cb -0.14 -0.93 0.08 0.00 0.01 0.00 0.00 72.50 71.53 1a6t s THR 193 CO 0.03 -0.07 0.01 0.00 -0.69 0.00 0.00 174.62 173.89 1a6t s GLU 195 N 1.20 3.84 -0.13 0.00 2.02 0.47 -2.28 118.70 123.82 1a6t s GLU 195 Ca 0.04 -0.38 -0.01 0.00 0.02 0.00 0.00 54.97 54.63 1a6t s GLU 195 Cb -0.19 -3.46 -0.02 0.00 0.10 0.00 0.00 34.13 30.56 1a6t s GLU 195 CO -0.10 -0.12 -0.10 0.00 0.02 0.00 0.00 175.26 174.96 1a6t s ALA 196 N 1.50 2.74 -0.20 5.21 0.00 -0.62 0.20 121.76 130.59 1a6t s ALA 196 Ca 0.06 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 51.10 1a6t s ALA 196 Cb -0.15 -1.29 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 1a6t s ALA 196 CO 0.06 0.27 -0.02 0.99 0.00 0.00 0.00 175.76 177.07 1a6t s THR 197 N 0.23 3.80 0.03 0.00 2.01 0.45 -0.51 115.64 121.66 1a6t s THR 197 Ca -0.07 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.58 1a6t s THR 197 Cb -0.15 -2.71 -0.02 0.00 0.01 0.00 0.00 72.50 69.63 1a6t s THR 197 CO 0.05 0.44 -0.05 -2.28 -0.69 0.00 0.00 174.62 172.08 1a6t s HIS 198 N 0.99 0.45 0.29 4.92 2.46 -1.26 -1.32 115.29 121.83 1a6t s HIS 198 Ca 0.01 -0.54 0.34 0.00 0.47 0.00 0.00 55.06 55.34 1a6t s HIS 198 Cb -0.14 -0.29 1.85 0.00 -0.13 0.00 0.00 32.58 33.86 1a6t s HIS 198 CO 0.01 -0.15 2.04 1.57 -2.47 0.00 0.00 174.74 175.74 1a6t h LYS 199 N 4.50 0.00 0.00 2.88 2.10 -1.93 -1.98 116.57 122.14 1a6t h LYS 199 Ca -0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 1a6t h LYS 199 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1a6t h LYS 199 CO 0.42 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.12 1a6t n THR 200 N -2.71 0.00 -3.62 0.07 -2.24 -1.26 -4.77 114.28 99.76 1a6t n THR 200 Ca -0.02 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.64 1a6t n THR 200 Cb 0.07 -0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 67.92 1a6t n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1a6t s SER 201 N -1.55 -0.56 0.05 3.42 0.15 -0.74 -4.94 113.70 109.52 1a6t s SER 201 Ca 0.17 0.99 0.26 0.00 0.70 0.00 0.00 55.95 58.07 1a6t s SER 201 Cb 0.08 0.97 0.68 0.00 -1.71 0.00 0.00 66.02 66.04 1a6t s SER 201 CO 0.13 -0.25 1.56 0.41 1.20 0.00 0.00 173.24 176.28 1a6t n THR 202 N 2.06 0.15 -4.35 6.45 -1.04 -1.26 -4.48 114.28 111.81 1a6t n THR 202 Ca -0.13 -0.10 -0.34 0.00 -2.04 0.00 0.00 64.05 61.44 1a6t n THR 202 Cb 0.56 -0.12 -0.13 0.00 -1.82 0.00 0.00 70.33 68.82 1a6t n THR 202 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1a6t s SER 203 N -3.46 4.51 0.67 8.00 1.04 -1.26 -5.09 113.70 118.10 1a6t s SER 203 Ca 0.10 -0.24 -0.17 0.00 0.48 0.00 0.00 55.95 56.12 1a6t s SER 203 Cb 0.16 -1.74 -0.01 0.00 0.10 0.00 0.00 66.02 64.54 1a6t s SER 203 CO 0.65 0.12 1.13 -2.65 0.98 0.00 0.00 173.24 173.47 1a6t n PRO 204 N 3.88 0.83 -2.94 4.02 -0.02 -1.26 -4.91 135.00 134.60 1a6t n PRO 204 Ca -0.18 0.34 -0.43 0.00 -2.02 0.00 0.00 63.50 61.21 1a6t n PRO 204 Cb 0.52 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.59 1a6t n PRO 204 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1a6t s ILE 205 N -1.58 4.58 -0.13 4.25 1.01 0.33 -4.90 121.20 124.77 1a6t s ILE 205 Ca 0.78 0.25 -0.07 0.00 0.00 0.00 0.00 60.65 61.62 1a6t s ILE 205 Cb -0.37 -4.40 -0.04 0.00 0.01 0.00 0.00 42.46 37.66 1a6t s ILE 205 CO 0.45 -0.87 0.12 0.68 0.00 0.00 0.00 174.94 175.32 1a6t s VAL 206 N 3.44 5.36 -0.03 2.92 -7.23 -1.26 -1.59 120.40 122.01 1a6t s VAL 206 Ca 0.28 0.16 0.01 0.00 -1.81 0.00 0.00 61.98 60.62 1a6t s VAL 206 Cb -0.13 -3.34 0.02 0.00 0.56 0.00 0.00 36.38 33.48 1a6t s VAL 206 CO 0.20 0.60 -0.03 -0.75 -0.31 0.00 0.00 175.10 174.80 1a6t s LYS 207 N -0.83 0.59 0.30 4.82 2.47 -0.97 -5.02 119.74 121.11 1a6t s LYS 207 Ca 0.14 -0.07 -0.12 0.00 -1.56 0.00 0.00 55.97 54.36 1a6t s LYS 207 Cb -0.12 -0.64 0.01 0.00 -1.46 0.00 0.00 37.83 35.63 1a6t s LYS 207 CO 0.03 -0.05 0.57 -1.54 0.16 0.00 0.00 175.35 174.52 1a6t s SER 208 N 0.70 0.17 0.08 1.43 1.04 -1.26 -1.19 113.70 114.65 1a6t s SER 208 Ca -0.08 -1.08 -0.23 0.00 0.48 0.00 0.00 55.95 55.04 1a6t s SER 208 Cb -0.12 0.68 0.06 0.00 0.10 0.00 0.00 66.02 66.74 1a6t s SER 208 CO -0.00 -1.32 0.55 0.72 0.98 0.00 0.00 173.24 174.16 1a6t s PHE 209 N -3.40 -0.46 -0.08 5.02 -0.12 -0.87 -5.02 117.98 113.05 1a6t s PHE 209 Ca 0.22 0.45 0.03 0.00 -0.05 0.00 0.00 56.93 57.57 1a6t s PHE 209 Cb -0.02 0.40 -0.02 0.00 -0.63 0.00 0.00 43.02 42.75 1a6t s PHE 209 CO 0.12 -0.70 -0.16 -0.80 -0.05 0.00 0.00 175.22 173.62 1a6t s ASN 210 N -2.19 3.80 0.00 1.98 0.01 -1.26 -1.32 114.94 115.97 1a6t s ASN 210 Ca -0.03 -0.31 0.04 0.00 -0.71 0.00 0.00 52.86 51.85 1a6t s ASN 210 Cb -0.00 -1.07 0.26 0.00 0.41 0.00 0.00 41.25 40.85 1a6t s ASN 210 CO -0.05 0.27 0.74 -1.14 -1.51 0.00 0.00 177.10 175.41