#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hs0 s SER 13 N -0.93 7.37 -0.36 0.00 0.15 -1.20 -4.96 113.70 113.75 3hs0 s SER 13 Ca 0.00 1.65 -0.03 0.00 0.70 0.00 0.00 55.95 58.28 3hs0 s SER 13 Cb -0.07 -2.56 0.11 0.00 -1.71 0.00 0.00 66.02 61.79 3hs0 s SER 13 CO 0.01 -0.20 2.49 0.18 1.20 0.00 0.00 173.24 176.92 3hs0 n LEU 14 N 3.63 6.39 -4.49 3.45 4.77 -1.26 -4.79 117.00 124.71 3hs0 n LEU 14 Ca 0.05 -3.67 -0.33 0.00 -0.03 0.00 0.00 56.01 52.02 3hs0 n LEU 14 Cb 0.51 -1.17 -0.13 0.00 -2.33 0.00 0.00 43.42 40.30 3hs0 n LEU 14 CO 0.51 1.51 -0.41 -1.61 -1.33 0.00 0.00 177.39 176.06 3hs0 s GLU 15 N -1.59 2.95 0.00 3.23 2.02 -1.26 -4.48 118.70 119.58 3hs0 s GLU 15 Ca 0.47 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.84 3hs0 s GLU 15 Cb 0.32 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.97 3hs0 s GLU 15 CO -0.11 0.48 0.00 0.41 0.02 0.00 0.00 175.26 176.06 3hs0 n GLY 16 N 2.74 0.79 1.89 -1.39 0.00 -1.26 -4.93 105.19 103.04 3hs0 n GLY 16 Ca -0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 3hs0 n GLY 16 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hs0 n VAL 17 N -2.25 2.71 -0.59 1.61 0.24 -1.26 -4.94 118.33 113.85 3hs0 n VAL 17 Ca 0.00 -1.62 0.00 0.00 -2.04 0.00 0.00 64.34 60.68 3hs0 n VAL 17 Cb 0.00 -1.04 0.00 0.00 -1.47 0.00 0.00 33.84 31.33 3hs0 n VAL 17 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3hs0 n GLU 18 N -0.18 -0.47 -3.15 7.34 0.00 -1.26 -4.97 120.64 117.95 3hs0 n GLU 18 Ca 0.37 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.59 3hs0 n GLU 18 Cb 0.85 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 32.28 3hs0 n GLU 18 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 3hs0 s ILE 19 N -0.88 -0.04 0.39 3.84 2.07 -1.25 -4.70 121.20 120.62 3hs0 s ILE 19 Ca 0.00 0.00 -0.23 0.00 -1.41 0.00 0.00 60.65 59.01 3hs0 s ILE 19 Cb 0.00 -0.70 -0.13 0.00 0.13 0.00 0.00 42.46 41.75 3hs0 s ILE 19 CO 0.00 0.00 0.53 0.29 -1.91 0.00 0.00 174.94 173.85 3hs0 n LYS 20 N 5.35 0.52 -3.86 3.50 5.02 -0.86 -2.59 118.16 125.24 3hs0 n LYS 20 Ca -0.03 0.19 -0.20 0.00 -2.02 0.00 0.00 58.31 56.24 3hs0 n LYS 20 Cb 0.56 -1.44 0.01 0.00 -0.02 0.00 0.00 35.03 34.14 3hs0 n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hs0 n GLY 21 N 1.82 -0.34 0.00 0.72 0.00 -1.26 -3.33 105.19 102.80 3hs0 n GLY 21 Ca 0.12 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3hs0 n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hs0 n GLY 22 N -1.46 1.88 3.84 -0.02 0.00 -1.07 -4.68 105.19 103.69 3hs0 n GLY 22 Ca -0.05 -0.54 -0.07 0.00 0.00 0.00 0.00 46.02 45.36 3hs0 n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hs0 s SER 23 N 2.00 0.03 0.19 1.61 1.04 -0.88 -4.92 113.70 112.77 3hs0 s SER 23 Ca 0.00 -1.00 -0.21 0.00 0.48 0.00 0.00 55.95 55.22 3hs0 s SER 23 Cb 0.00 0.72 0.05 0.00 0.10 0.00 0.00 66.02 66.89 3hs0 s SER 23 CO 0.00 -1.44 0.60 0.72 0.98 0.00 0.00 173.24 174.11 3hs0 s PHE 24 N -2.11 -0.39 -0.11 5.02 -0.71 -1.26 -1.19 117.98 117.23 3hs0 s PHE 24 Ca 0.19 0.10 -0.08 0.00 -1.04 0.00 0.00 56.93 56.10 3hs0 s PHE 24 Cb -0.04 0.55 0.04 0.00 -1.21 0.00 0.00 43.02 42.36 3hs0 s PHE 24 CO 0.09 -0.93 0.28 1.03 -1.34 0.00 0.00 175.22 174.35 3hs0 s ARG 25 N -3.81 0.29 0.37 1.99 0.52 -0.68 -4.91 118.95 112.72 3hs0 s ARG 25 Ca 0.04 0.48 -0.26 0.00 -0.52 0.00 0.00 55.73 55.47 3hs0 s ARG 25 Cb -0.02 0.04 -0.09 0.00 0.52 0.00 0.00 34.95 35.40 3hs0 s ARG 25 CO -0.07 -0.10 1.19 -0.51 0.02 0.00 0.00 175.30 175.83 3hs0 s LEU 26 N 0.68 4.27 0.17 2.53 1.43 -1.26 -2.96 118.68 123.54 3hs0 s LEU 26 Ca -0.04 2.40 0.09 0.00 -1.03 0.00 0.00 54.13 55.54 3hs0 s LEU 26 Cb -0.06 -3.91 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 3hs0 s LEU 26 CO -0.04 -0.59 -0.18 -0.76 0.23 0.00 0.00 176.35 175.00 3hs0 s LEU 27 N -2.25 2.45 -1.34 1.79 1.43 -1.24 -4.83 118.68 114.69 3hs0 s LEU 27 Ca 0.54 -0.88 -0.07 0.00 -1.03 0.00 0.00 54.13 52.68 3hs0 s LEU 27 Cb -0.32 -0.84 0.01 0.00 0.03 0.00 0.00 46.19 45.07 3hs0 s LEU 27 CO 0.41 -0.04 1.15 0.00 0.23 0.00 0.00 176.35 178.11 3hs0 n GLN 28 N 0.20 -7.69 0.00 1.70 6.02 -1.26 -1.00 117.38 115.34 3hs0 n GLN 28 Ca -0.12 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.69 3hs0 n GLN 28 Cb 0.57 -5.87 0.00 0.00 1.02 0.00 0.00 30.24 25.96 3hs0 n GLN 28 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3hs0 n GLU 29 N -4.85 0.00 0.00 -1.09 1.02 -1.26 -2.36 120.64 112.10 3hs0 n GLU 29 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3hs0 n GLU 29 Cb 0.58 -2.81 0.00 0.00 -0.02 0.00 0.00 31.44 29.19 3hs0 n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hs0 n GLY 30 N -1.55 0.82 0.37 0.62 0.00 -0.17 -5.02 105.19 100.25 3hs0 n GLY 30 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3hs0 n GLY 30 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hs0 n GLN 31 N 0.00 1.14 -2.92 1.61 1.13 -1.00 -4.74 117.38 112.60 3hs0 n GLN 31 Ca 0.00 -0.74 0.03 0.00 -1.94 0.00 0.00 57.00 54.35 3hs0 n GLN 31 Cb 0.00 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 28.87 3hs0 n GLN 31 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hs0 s ALA 32 N -2.37 -4.17 1.09 -1.58 0.00 -1.20 -2.91 121.76 110.61 3hs0 s ALA 32 Ca 0.26 1.24 -0.08 0.00 0.00 0.00 0.00 51.96 53.39 3hs0 s ALA 32 Cb 0.19 -2.94 0.11 0.00 0.00 0.00 0.00 23.12 20.49 3hs0 s ALA 32 CO 0.48 -2.34 0.41 1.47 0.00 0.00 0.00 175.76 175.77 3hs0 n LEU 33 N 4.21 0.00 -3.54 0.00 -0.00 -1.23 -3.61 117.00 112.82 3hs0 n LEU 33 Ca 0.07 -0.44 -0.10 0.00 -0.00 0.00 0.00 56.01 55.55 3hs0 n LEU 33 Cb 0.61 -0.37 -0.04 0.00 -0.00 0.00 0.00 43.42 43.62 3hs0 n LEU 33 CO -0.12 -1.42 0.73 -0.70 -0.00 0.00 0.00 177.39 175.88 3hs0 s GLU 34 N -3.93 0.71 0.15 1.47 -6.30 -1.16 -3.64 118.70 106.00 3hs0 s GLU 34 Ca 0.26 -0.08 0.10 0.00 -2.50 0.00 0.00 54.97 52.76 3hs0 s GLU 34 Cb -0.03 0.33 -0.04 0.00 0.00 0.00 0.00 34.13 34.39 3hs0 s GLU 34 CO 0.20 -0.27 -0.19 0.71 0.02 0.00 0.00 175.26 175.73 3hs0 s TYR 35 N -2.14 2.46 -0.11 5.30 2.02 -0.85 -1.69 117.35 122.35 3hs0 s TYR 35 Ca 0.02 -0.30 -0.00 0.00 -0.37 0.00 0.00 57.07 56.42 3hs0 s TYR 35 Cb -0.01 -1.27 0.02 0.00 -0.40 0.00 0.00 41.96 40.31 3hs0 s TYR 35 CO -0.03 0.43 -0.08 0.08 -1.57 0.00 0.00 175.55 174.38 3hs0 s VAL 36 N -1.37 1.05 0.39 0.71 1.01 -0.34 -4.94 120.40 116.92 3hs0 s VAL 36 Ca 0.19 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 61.94 3hs0 s VAL 36 Cb -0.09 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 3hs0 s VAL 36 CO 0.10 0.37 0.35 0.00 0.00 0.00 0.00 175.10 175.93 3hs0 n PRO 38 N -1.50 0.00 -4.09 0.00 -0.02 -1.26 -4.96 135.00 123.17 3hs0 n PRO 38 Ca 0.02 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.36 3hs0 n PRO 38 Cb 0.61 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.97 3hs0 n PRO 38 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3hs0 s SER 39 N -2.36 1.06 -1.93 2.55 0.01 -1.26 -4.77 113.70 107.01 3hs0 s SER 39 Ca 0.00 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.68 3hs0 s SER 39 Cb 0.00 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.25 3hs0 s SER 39 CO 0.00 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.08 3hs0 n GLY 40 N 1.38 1.76 3.15 3.44 0.00 -1.25 -4.97 105.19 108.70 3hs0 n GLY 40 Ca -0.22 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 3hs0 n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hs0 s PHE 41 N -2.68 1.25 -0.01 1.61 0.08 -1.26 -0.02 117.98 116.96 3hs0 s PHE 41 Ca 0.00 -0.36 0.03 0.00 0.12 0.00 0.00 56.93 56.72 3hs0 s PHE 41 Cb 0.00 -0.74 -0.01 0.00 -0.57 0.00 0.00 43.02 41.70 3hs0 s PHE 41 CO 0.00 0.04 -0.11 1.52 -0.10 0.00 0.00 175.22 176.57 3hs0 s TYR 42 N -0.86 0.97 -0.35 0.36 1.13 -0.60 -4.75 117.35 113.26 3hs0 s TYR 42 Ca 0.02 -0.19 -0.28 0.00 -1.41 0.00 0.00 57.07 55.21 3hs0 s TYR 42 Cb -0.08 -0.63 -0.03 0.00 -1.10 0.00 0.00 41.96 40.12 3hs0 s TYR 42 CO 0.01 -0.03 1.96 -2.14 -2.51 0.00 0.00 175.55 172.85 3hs0 s PRO 43 N -0.21 3.10 -0.13 -3.49 0.02 -1.26 -2.23 135.00 130.80 3hs0 s PRO 43 Ca 0.03 1.49 -0.09 0.00 0.02 0.00 0.00 61.00 62.45 3hs0 s PRO 43 Cb -0.05 -4.30 -0.04 0.00 0.02 0.00 0.00 34.50 30.13 3hs0 s PRO 43 CO -0.00 -2.14 0.18 -0.47 -0.33 0.00 0.00 177.00 174.23 3hs0 s TYR 44 N 7.95 3.55 -0.09 6.54 5.04 -0.66 -3.55 117.35 136.14 3hs0 s TYR 44 Ca 0.85 0.53 0.15 0.00 -2.44 0.00 0.00 57.07 56.16 3hs0 s TYR 44 Cb -0.23 -2.07 -0.21 0.00 0.35 0.00 0.00 41.96 39.79 3hs0 s TYR 44 CO 0.32 0.56 0.60 -2.30 -1.34 0.00 0.00 175.55 173.39 3hs0 n PRO 45 N 2.53 0.64 -4.37 4.97 -0.02 -1.26 -3.04 135.00 134.45 3hs0 n PRO 45 Ca -0.18 0.21 -0.29 0.00 -2.02 0.00 0.00 63.50 61.23 3hs0 n PRO 45 Cb 0.54 -1.74 -0.12 0.00 -0.02 0.00 0.00 33.50 32.15 3hs0 n PRO 45 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3hs0 s VAL 46 N -2.69 2.43 0.09 -1.45 -7.23 -1.23 -4.81 120.40 105.50 3hs0 s VAL 46 Ca -0.05 -1.73 -0.06 0.00 -1.81 0.00 0.00 61.98 58.33 3hs0 s VAL 46 Cb 0.08 -2.10 -0.26 0.00 0.56 0.00 0.00 36.38 34.66 3hs0 s VAL 46 CO 0.82 0.06 1.17 -0.61 -0.31 0.00 0.00 175.10 176.24 3hs0 h GLN 47 N 3.75 0.35 -4.35 4.82 4.15 -1.97 -3.47 115.11 118.40 3hs0 h GLN 47 Ca -0.50 -0.52 -0.25 0.00 0.77 0.00 0.00 58.65 58.15 3hs0 h GLN 47 Cb 1.17 0.18 -0.22 0.00 0.21 0.00 0.00 27.48 28.82 3hs0 h GLN 47 CO 0.42 1.22 -0.73 0.95 -1.93 0.00 0.00 178.83 178.76 3hs0 s THR 48 N -2.84 0.39 0.44 2.39 -4.23 -1.26 -2.00 115.64 108.53 3hs0 s THR 48 Ca -0.05 -0.87 0.07 0.00 -1.18 0.00 0.00 61.69 59.66 3hs0 s THR 48 Cb 0.07 -0.46 -0.01 0.00 1.34 0.00 0.00 72.50 73.44 3hs0 s THR 48 CO 0.89 -0.32 0.36 -0.13 -0.54 0.00 0.00 174.62 174.88 3hs0 s ARG 49 N -1.27 2.43 0.00 3.99 0.52 -1.24 -4.99 118.95 118.38 3hs0 s ARG 49 Ca -0.09 -1.68 0.04 0.00 -0.52 0.00 0.00 55.73 53.48 3hs0 s ARG 49 Cb -0.08 -2.27 -0.01 0.00 0.52 0.00 0.00 34.95 33.10 3hs0 s ARG 49 CO -0.00 -0.28 -0.12 0.95 0.02 0.00 0.00 175.30 175.87 3hs0 s THR 50 N -2.55 0.95 0.14 0.02 -4.23 -1.26 -3.58 115.64 105.12 3hs0 s THR 50 Ca 0.45 -0.64 -0.31 0.00 -1.18 0.00 0.00 61.69 60.02 3hs0 s THR 50 Cb -0.02 -0.82 -0.08 0.00 1.34 0.00 0.00 72.50 72.92 3hs0 s THR 50 CO 0.26 0.17 1.38 0.00 -0.54 0.00 0.00 174.62 175.89 3hs0 s ARG 52 N 0.80 3.07 0.00 0.00 1.81 -1.20 -5.01 118.95 118.43 3hs0 s ARG 52 Ca 0.63 -0.42 -0.00 0.00 -1.72 0.00 0.00 55.73 54.21 3hs0 s ARG 52 Cb -0.37 -2.87 -0.02 0.00 -0.45 0.00 0.00 34.95 31.25 3hs0 s ARG 52 CO 0.32 0.68 2.06 -1.13 -0.68 0.00 0.00 175.30 176.56 3hs0 n SER 53 N 1.61 5.26 -0.00 0.23 3.41 -1.26 -3.49 113.62 119.38 3hs0 n SER 53 Ca -0.16 -2.39 0.02 0.00 -0.26 0.00 0.00 58.87 56.08 3hs0 n SER 53 Cb 0.53 -1.13 -0.03 0.00 -0.26 0.00 0.00 64.21 63.32 3hs0 n SER 53 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3hs0 n THR 54 N 1.57 0.00 0.00 6.66 -2.24 -1.26 -5.01 114.28 114.00 3hs0 n THR 54 Ca 0.02 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3hs0 n THR 54 Cb 0.52 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 3hs0 n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hs0 n GLY 55 N 2.21 1.32 3.39 3.38 0.00 -1.23 -5.08 105.19 109.18 3hs0 n GLY 55 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3hs0 n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hs0 s SER 56 N -1.90 3.65 0.05 1.61 0.01 -1.26 -3.27 113.70 112.59 3hs0 s SER 56 Ca 0.00 -0.33 -0.25 0.00 1.31 0.00 0.00 55.95 56.68 3hs0 s SER 56 Cb 0.00 -0.88 -0.17 0.00 0.21 0.00 0.00 66.02 65.18 3hs0 s SER 56 CO 0.00 0.29 1.56 -0.50 0.41 0.00 0.00 173.24 175.00 3hs0 h TRP 57 N 5.74 -0.15 0.00 2.43 4.06 -1.87 -3.34 115.95 122.82 3hs0 h TRP 57 Ca -0.39 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.55 3hs0 h TRP 57 Cb 1.16 0.05 0.00 0.00 -1.00 0.00 0.00 29.16 29.37 3hs0 h TRP 57 CO 0.47 0.03 0.00 0.45 -3.56 0.00 0.00 178.44 175.82 3hs0 n SER 58 N -5.10 0.00 -4.33 -3.49 2.88 -1.26 -3.21 113.62 99.11 3hs0 n SER 58 Ca -0.08 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.12 3hs0 n SER 58 Cb 0.15 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.71 3hs0 n SER 58 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3hs0 n THR 59 N -0.12 0.02 -1.79 2.46 -1.04 -1.26 -4.92 114.28 107.64 3hs0 n THR 59 Ca 0.00 -0.25 -0.32 0.00 -2.04 0.00 0.00 64.05 61.43 3hs0 n THR 59 Cb 0.00 -0.50 0.05 0.00 -1.82 0.00 0.00 70.33 68.06 3hs0 n THR 59 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3hs0 n LEU 60 N -0.35 6.55 0.00 -4.42 4.77 -1.26 -5.00 117.00 117.29 3hs0 n LEU 60 Ca 0.05 -4.65 0.00 0.00 -0.03 0.00 0.00 56.01 51.38 3hs0 n LEU 60 Cb 0.54 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3hs0 n LEU 60 CO 0.51 1.80 0.00 1.17 -1.33 0.00 0.00 177.39 179.54 3hs0 n LYS 61 N -0.73 0.00 0.00 3.23 4.81 -1.26 -2.63 118.16 121.58 3hs0 n LYS 61 Ca 0.53 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 3hs0 n LYS 61 Cb 0.65 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.70 3hs0 n LYS 61 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3hs0 n THR 62 N 0.00 0.00 0.21 3.15 -1.04 -1.26 -4.45 114.28 110.89 3hs0 n THR 62 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 3hs0 n THR 62 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 3hs0 n THR 62 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 3hs0 h GLN 63 N 0.00 -0.56 0.00 -2.82 1.08 -1.96 -3.44 115.11 107.42 3hs0 h GLN 63 Ca 0.00 0.04 -0.21 0.00 -1.45 0.00 0.00 58.65 57.02 3hs0 h GLN 63 Cb 0.00 0.13 0.10 0.00 -0.05 0.00 0.00 27.48 27.66 3hs0 h GLN 63 CO 0.00 -0.37 0.08 -0.25 -0.95 0.00 0.00 178.83 177.34 3hs0 n ASP 64 N -3.72 -1.38 -3.10 1.46 8.00 -1.26 -5.00 116.55 111.55 3hs0 n ASP 64 Ca -0.07 -0.90 -0.31 0.00 0.71 0.00 0.00 54.79 54.21 3hs0 n ASP 64 Cb 0.24 -0.54 -0.02 0.00 -0.02 0.00 0.00 41.12 40.78 3hs0 n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hs0 n GLN 65 N -3.19 3.85 -4.30 -1.24 3.00 -1.26 -4.93 117.38 109.31 3hs0 n GLN 65 Ca 0.08 -4.75 -0.19 0.00 -0.01 0.00 0.00 57.00 52.13 3hs0 n GLN 65 Cb 0.31 -2.30 -0.13 0.00 0.00 0.00 0.00 30.24 28.12 3hs0 n GLN 65 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3hs0 s LYS 66 N -3.74 0.88 0.09 -1.09 1.02 -1.26 -5.00 119.74 110.65 3hs0 s LYS 66 Ca 0.46 -0.78 -0.30 0.00 0.02 0.00 0.00 55.97 55.37 3hs0 s LYS 66 Cb 0.27 -0.88 -0.05 0.00 -0.52 0.00 0.00 37.83 36.65 3hs0 s LYS 66 CO -0.15 0.21 0.98 0.99 -0.92 0.00 0.00 175.35 176.47 3hs0 s THR 67 N -0.93 4.54 0.18 2.17 2.01 -1.26 -4.23 115.64 118.12 3hs0 s THR 67 Ca 0.00 2.02 0.09 0.00 0.31 0.00 0.00 61.69 64.11 3hs0 s THR 67 Cb -0.08 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 3hs0 s THR 67 CO 0.01 0.27 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.44 3hs0 s VAL 68 N 0.27 3.24 -0.06 3.82 1.01 -1.08 -5.01 120.40 122.58 3hs0 s VAL 68 Ca 0.49 -1.65 0.01 0.00 0.00 0.00 0.00 61.98 60.82 3hs0 s VAL 68 Cb -0.23 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.54 3hs0 s VAL 68 CO 0.30 -0.12 0.34 0.54 0.00 0.00 0.00 175.10 176.16 3hs0 n ARG 69 N -0.00 1.93 -3.21 2.72 1.74 -1.26 -4.65 116.66 113.93 3hs0 n ARG 69 Ca -0.10 -0.34 -0.00 0.00 -0.77 0.00 0.00 57.85 56.63 3hs0 n ARG 69 Cb 0.56 -0.83 -0.01 0.00 -1.02 0.00 0.00 32.46 31.15 3hs0 n ARG 69 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3hs0 s LYS 70 N -0.42 0.76 0.12 5.56 2.47 -1.26 -5.14 119.74 121.83 3hs0 s LYS 70 Ca 0.01 -0.17 -0.33 0.00 -1.56 0.00 0.00 55.97 53.92 3hs0 s LYS 70 Cb 0.01 0.05 -0.13 0.00 -1.46 0.00 0.00 37.83 36.30 3hs0 s LYS 70 CO 0.01 -1.16 1.70 0.00 0.16 0.00 0.00 175.35 176.06 3hs0 n ALA 71 N 4.59 1.65 -2.23 3.13 0.00 -1.26 -4.90 120.51 121.48 3hs0 n ALA 71 Ca 0.10 0.39 -0.13 0.00 0.00 0.00 0.00 53.44 53.80 3hs0 n ALA 71 Cb 0.55 -2.44 -0.10 0.00 0.00 0.00 0.00 19.45 17.46 3hs0 n ALA 71 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3hs0 s GLU 72 N 1.80 1.04 -0.50 0.00 -1.05 -1.17 -2.03 118.70 116.79 3hs0 s GLU 72 Ca 0.81 -1.47 -0.19 0.00 -0.15 0.00 0.00 54.97 53.97 3hs0 s GLU 72 Cb -0.62 -0.37 0.05 0.00 -0.44 0.00 0.00 34.13 32.75 3hs0 s GLU 72 CO 0.39 -0.04 0.62 0.00 0.95 0.00 0.00 175.26 177.18 3hs0 s ARG 74 N 2.62 2.67 0.14 0.00 0.52 -0.95 -4.82 118.95 119.14 3hs0 s ARG 74 Ca 0.15 0.02 -0.30 0.00 -0.52 0.00 0.00 55.73 55.09 3hs0 s ARG 74 Cb -0.19 -2.18 -0.07 0.00 0.52 0.00 0.00 34.95 33.03 3hs0 s ARG 74 CO 0.12 -0.95 0.94 0.00 0.02 0.00 0.00 175.30 175.44 3hs0 s ALA 75 N -3.16 3.28 0.29 2.13 0.00 -1.26 -1.55 121.76 121.49 3hs0 s ALA 75 Ca 0.57 0.57 -0.29 0.00 0.00 0.00 0.00 51.96 52.80 3hs0 s ALA 75 Cb -0.11 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 3hs0 s ALA 75 CO 0.46 0.04 1.41 0.42 0.00 0.00 0.00 175.76 178.09 3hs0 s ILE 76 N -0.30 2.58 -0.03 0.00 1.01 0.98 -4.82 121.20 120.62 3hs0 s ILE 76 Ca 0.45 0.53 0.07 0.00 0.00 0.00 0.00 60.65 61.70 3hs0 s ILE 76 Cb -0.24 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 3hs0 s ILE 76 CO 0.30 0.10 -0.25 -1.00 0.00 0.00 0.00 174.94 174.09 3hs0 s HIS 77 N -0.50 2.33 0.22 3.97 3.76 -1.26 -4.06 115.29 119.75 3hs0 s HIS 77 Ca 0.55 -0.53 -0.19 0.00 -0.15 0.00 0.00 55.06 54.75 3hs0 s HIS 77 Cb -0.42 -1.51 -0.08 0.00 1.11 0.00 0.00 32.58 31.68 3hs0 s HIS 77 CO 0.49 -0.10 0.72 0.00 -0.85 0.00 0.00 174.74 175.00 3hs0 s PRO 79 N -2.04 4.44 0.10 0.00 0.02 -1.26 -3.02 135.00 133.24 3hs0 s PRO 79 Ca 0.43 2.05 -0.28 0.00 0.02 0.00 0.00 61.00 63.23 3hs0 s PRO 79 Cb -0.16 -3.14 -0.06 0.00 0.02 0.00 0.00 34.50 31.16 3hs0 s PRO 79 CO 0.21 -0.10 0.87 0.50 -0.33 0.00 0.00 177.00 178.14 3hs0 s ARG 80 N -1.18 4.62 0.14 5.54 3.52 -1.26 -4.73 118.95 125.60 3hs0 s ARG 80 Ca 0.50 1.28 -0.33 0.00 -0.13 0.00 0.00 55.73 57.05 3hs0 s ARG 80 Cb -0.37 -3.35 -0.13 0.00 -1.56 0.00 0.00 34.95 29.54 3hs0 s ARG 80 CO 0.45 0.30 1.67 -2.30 -0.81 0.00 0.00 175.30 174.61 3hs0 n PRO 81 N 2.59 2.38 -0.06 5.12 -0.02 -1.26 -4.31 135.00 139.44 3hs0 n PRO 81 Ca -0.01 0.86 -0.17 0.00 -2.02 0.00 0.00 63.50 62.16 3hs0 n PRO 81 Cb 0.49 -2.67 -0.13 0.00 -0.02 0.00 0.00 33.50 31.17 3hs0 n PRO 81 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hs0 h HIS 82 N 6.75 0.09 -3.68 6.00 3.86 -1.91 -3.47 115.15 122.79 3hs0 h HIS 82 Ca -0.45 -0.07 -0.30 0.00 -1.16 0.00 0.00 60.37 58.39 3hs0 h HIS 82 Cb 1.24 -0.00 -0.31 0.00 1.06 0.00 0.00 27.41 29.40 3hs0 h HIS 82 CO 0.67 1.21 -0.74 0.34 0.86 0.00 0.00 177.93 180.27 3hs0 s ASP 83 N -6.53 0.33 -0.16 2.45 2.15 -1.26 -5.12 116.67 108.53 3hs0 s ASP 83 Ca -0.21 -0.03 0.00 0.00 0.43 0.00 0.00 52.55 52.74 3hs0 s ASP 83 Cb 0.00 -0.11 0.03 0.00 -0.30 0.00 0.00 42.92 42.55 3hs0 s ASP 83 CO 0.68 -0.03 -0.12 0.12 -0.17 0.00 0.00 175.17 175.66 3hs0 s PHE 84 N 0.40 2.11 0.32 -5.34 5.36 -1.26 -4.82 117.98 114.75 3hs0 s PHE 84 Ca -0.04 -1.24 -0.18 0.00 -0.96 0.00 0.00 56.93 54.51 3hs0 s PHE 84 Cb -0.06 -1.54 -0.09 0.00 -0.34 0.00 0.00 43.02 40.98 3hs0 s PHE 84 CO -0.01 -0.67 0.79 -1.21 -1.46 0.00 0.00 175.22 172.67 3hs0 s GLU 85 N 1.50 4.16 -1.78 10.12 2.02 -1.26 -4.31 118.70 129.15 3hs0 s GLU 85 Ca 0.03 0.86 0.00 0.00 0.02 0.00 0.00 54.97 55.88 3hs0 s GLU 85 Cb -0.14 -2.54 0.00 0.00 0.10 0.00 0.00 34.13 31.56 3hs0 s GLU 85 CO -0.10 0.20 0.00 0.09 0.02 0.00 0.00 175.26 175.47 3hs0 n ASN 86 N -0.05 -5.81 -3.41 -0.19 3.02 -1.26 -4.39 115.26 103.17 3hs0 n ASN 86 Ca 0.02 0.02 0.04 0.00 -0.03 0.00 0.00 54.58 54.63 3hs0 n ASN 86 Cb 0.52 -4.84 0.01 0.00 -0.61 0.00 0.00 39.78 34.86 3hs0 n ASN 86 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hs0 n GLY 87 N -0.98 0.14 3.54 7.41 0.00 -1.26 -1.16 105.19 112.87 3hs0 n GLY 87 Ca -0.24 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.57 3hs0 n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hs0 s GLU 88 N -2.00 1.92 0.08 1.61 0.41 -0.70 -4.91 118.70 115.11 3hs0 s GLU 88 Ca 0.26 -1.52 0.06 0.00 -0.41 0.00 0.00 54.97 53.36 3hs0 s GLU 88 Cb -0.00 -1.98 -0.03 0.00 -1.78 0.00 0.00 34.13 30.34 3hs0 s GLU 88 CO -0.02 0.37 -0.16 1.52 -0.49 0.00 0.00 175.26 176.48 3hs0 s TYR 89 N -2.14 1.38 -0.06 1.61 1.13 -1.26 -1.49 117.35 116.51 3hs0 s TYR 89 Ca 0.28 -0.44 0.01 0.00 -1.41 0.00 0.00 57.07 55.51 3hs0 s TYR 89 Cb -0.07 -0.77 0.02 0.00 -1.10 0.00 0.00 41.96 40.04 3hs0 s TYR 89 CO 0.16 0.10 -0.07 -0.46 -2.51 0.00 0.00 175.55 172.77 3hs0 s TRP 90 N -1.21 1.00 0.57 -3.49 -0.00 -0.35 -4.45 118.94 111.01 3hs0 s TRP 90 Ca 0.01 -0.34 0.02 0.00 -0.00 0.00 0.00 56.10 55.78 3hs0 s TRP 90 Cb -0.10 -0.83 0.11 0.00 -0.00 0.00 0.00 33.47 32.65 3hs0 s TRP 90 CO 0.03 -0.25 0.78 -0.35 -0.00 0.00 0.00 176.95 177.15 3hs0 n PRO 91 N 4.14 0.17 -3.78 5.86 -0.05 -1.26 -0.38 135.00 139.70 3hs0 n PRO 91 Ca -0.22 -2.30 -0.37 0.00 -0.05 0.00 0.00 63.50 60.56 3hs0 n PRO 91 Cb 0.51 -0.46 -0.13 0.00 -0.05 0.00 0.00 33.50 33.37 3hs0 n PRO 91 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 175.50 176.48 3hs0 s ARG 92 N -4.50 2.96 0.22 0.54 0.52 -1.26 -4.93 118.95 112.50 3hs0 s ARG 92 Ca 0.53 -0.94 0.10 0.00 -0.52 0.00 0.00 55.73 54.90 3hs0 s ARG 92 Cb -0.03 -3.35 -0.05 0.00 0.52 0.00 0.00 34.95 32.04 3hs0 s ARG 92 CO 0.35 -0.49 -0.19 -1.12 0.02 0.00 0.00 175.30 173.88 3hs0 s SER 93 N 1.46 3.11 0.22 0.23 0.01 -1.26 -5.03 113.70 112.43 3hs0 s SER 93 Ca 0.01 -0.97 -0.09 0.00 1.31 0.00 0.00 55.95 56.22 3hs0 s SER 93 Cb -0.18 -0.22 0.22 0.00 0.21 0.00 0.00 66.02 66.06 3hs0 s SER 93 CO 0.02 -0.02 1.86 -0.65 0.41 0.00 0.00 173.24 174.86 3hs0 h PRO 94 N 2.68 0.93 -3.65 12.44 0.11 -2.01 -3.45 132.00 139.06 3hs0 h PRO 94 Ca -0.41 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 3hs0 h PRO 94 Cb 1.23 -0.21 -0.10 0.00 0.11 0.00 0.00 31.00 32.03 3hs0 h PRO 94 CO 0.57 0.62 -0.13 1.52 -0.21 0.00 0.00 178.00 180.36 3hs0 s TYR 95 N -6.11 0.31 -0.08 0.65 1.13 -1.26 -4.74 117.35 107.25 3hs0 s TYR 95 Ca -0.13 -0.66 0.03 0.00 -1.41 0.00 0.00 57.07 54.90 3hs0 s TYR 95 Cb 0.16 0.17 -0.02 0.00 -1.10 0.00 0.00 41.96 41.18 3hs0 s TYR 95 CO 0.78 -0.94 -0.17 0.71 -2.51 0.00 0.00 175.55 173.43 3hs0 s TYR 96 N -3.99 2.68 0.64 -3.49 2.02 -1.17 -5.01 117.35 109.02 3hs0 s TYR 96 Ca 0.20 -0.47 -0.09 0.00 -0.37 0.00 0.00 57.07 56.34 3hs0 s TYR 96 Cb -0.00 -1.70 0.00 0.00 -0.40 0.00 0.00 41.96 39.86 3hs0 s TYR 96 CO 0.06 -0.06 1.00 -0.80 -1.57 0.00 0.00 175.55 174.18 3hs0 s ASN 97 N -0.21 5.65 0.50 2.29 0.01 -1.26 -1.64 114.94 120.29 3hs0 s ASN 97 Ca -0.00 1.01 -0.22 0.00 -0.71 0.00 0.00 52.86 52.93 3hs0 s ASN 97 Cb -0.13 -1.94 -0.07 0.00 0.41 0.00 0.00 41.25 39.52 3hs0 s ASN 97 CO 0.03 -1.13 1.20 0.52 -1.51 0.00 0.00 177.10 176.21 3hs0 n VAL 98 N -2.77 3.23 -1.06 1.60 0.31 -1.26 -2.33 118.33 116.05 3hs0 n VAL 98 Ca 0.05 -0.50 -0.02 0.00 -0.01 0.00 0.00 64.34 63.86 3hs0 n VAL 98 Cb 0.57 -1.45 -0.01 0.00 -0.91 0.00 0.00 33.84 32.03 3hs0 n VAL 98 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3hs0 n SER 99 N -0.38 -4.91 -4.82 4.52 3.41 -0.25 -4.97 113.62 106.22 3hs0 n SER 99 Ca 0.10 0.06 -0.33 0.00 -0.26 0.00 0.00 58.87 58.43 3hs0 n SER 99 Cb 0.43 -2.60 -0.07 0.00 -0.26 0.00 0.00 64.21 61.71 3hs0 n SER 99 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3hs0 s ASP 100 N -2.14 6.96 -0.09 4.04 1.11 -0.98 -4.73 116.67 120.84 3hs0 s ASP 100 Ca 0.00 1.63 0.01 0.00 0.18 0.00 0.00 52.55 54.37 3hs0 s ASP 100 Cb 0.00 -2.51 -0.03 0.00 1.07 0.00 0.00 42.92 41.45 3hs0 s ASP 100 CO 0.00 -0.29 -0.09 -0.70 1.18 0.00 0.00 175.17 175.26 3hs0 s GLU 101 N -3.00 2.94 -0.05 8.23 2.12 -1.26 -0.62 118.70 127.06 3hs0 s GLU 101 Ca 0.59 -0.60 0.03 0.00 0.36 0.00 0.00 54.97 55.35 3hs0 s GLU 101 Cb -0.10 -2.60 0.01 0.00 0.26 0.00 0.00 34.13 31.70 3hs0 s GLU 101 CO 0.15 0.52 -0.12 -1.50 -0.54 0.00 0.00 175.26 173.77 3hs0 s ILE 102 N -0.42 1.05 0.11 -3.70 2.07 -0.43 -4.49 121.20 115.39 3hs0 s ILE 102 Ca 0.06 -0.46 0.09 0.00 -1.41 0.00 0.00 60.65 58.92 3hs0 s ILE 102 Cb -0.12 -0.94 -0.04 0.00 0.13 0.00 0.00 42.46 41.49 3hs0 s ILE 102 CO 0.02 0.32 -0.16 -0.44 -1.91 0.00 0.00 174.94 172.77 3hs0 s SER 103 N 0.42 3.99 -0.07 4.50 0.01 0.49 -1.45 113.70 121.60 3hs0 s SER 103 Ca -0.09 -0.52 0.05 0.00 1.31 0.00 0.00 55.95 56.70 3hs0 s SER 103 Cb -0.13 -0.61 -0.01 0.00 0.21 0.00 0.00 66.02 65.49 3hs0 s SER 103 CO 0.02 0.18 -0.23 -0.36 0.41 0.00 0.00 173.24 173.26 3hs0 s PHE 104 N -1.16 2.29 0.06 2.43 0.08 -0.04 -1.21 117.98 120.44 3hs0 s PHE 104 Ca 0.19 -0.76 0.06 0.00 0.12 0.00 0.00 56.93 56.53 3hs0 s PHE 104 Cb -0.11 -1.52 -0.03 0.00 -0.57 0.00 0.00 43.02 40.79 3hs0 s PHE 104 CO 0.11 -0.27 -0.16 -1.01 -0.10 0.00 0.00 175.22 173.79 3hs0 s HIS 105 N 0.05 1.39 0.12 0.36 3.76 -0.56 -4.83 115.29 115.58 3hs0 s HIS 105 Ca -0.08 -0.39 0.02 0.00 -0.15 0.00 0.00 55.06 54.46 3hs0 s HIS 105 Cb -0.15 -0.81 -0.04 0.00 1.11 0.00 0.00 32.58 32.70 3hs0 s HIS 105 CO 0.05 0.07 0.21 0.00 -0.85 0.00 0.00 174.74 174.23 3hs0 s TYR 107 N -1.63 1.53 0.01 0.00 2.02 -0.31 -4.89 117.35 114.07 3hs0 s TYR 107 Ca 0.33 1.02 -0.30 0.00 -0.37 0.00 0.00 57.07 57.75 3hs0 s TYR 107 Cb -0.12 -3.17 -0.05 0.00 -0.40 0.00 0.00 41.96 38.22 3hs0 s TYR 107 CO 0.27 -3.59 1.35 -0.51 -1.57 0.00 0.00 175.55 171.50 3hs0 s ASP 108 N -2.98 6.90 0.00 2.29 1.01 -1.26 -2.87 116.67 119.76 3hs0 s ASP 108 Ca 0.67 2.08 0.00 0.00 0.71 0.00 0.00 52.55 56.01 3hs0 s ASP 108 Cb -0.21 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.15 3hs0 s ASP 108 CO 0.61 -0.67 0.00 0.61 0.21 0.00 0.00 175.17 175.94 3hs0 n GLY 109 N 3.54 0.51 3.26 0.21 0.00 -1.26 -5.08 105.19 106.38 3hs0 n GLY 109 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3hs0 n GLY 109 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hs0 s TYR 110 N -2.00 2.33 -0.14 1.61 2.02 -1.14 -4.62 117.35 115.42 3hs0 s TYR 110 Ca 0.00 -0.65 -0.06 0.00 -0.37 0.00 0.00 57.07 56.00 3hs0 s TYR 110 Cb 0.00 -1.53 -0.04 0.00 -0.40 0.00 0.00 41.96 39.99 3hs0 s TYR 110 CO 0.00 -0.18 0.07 0.99 -1.57 0.00 0.00 175.55 174.86 3hs0 s THR 111 N -0.23 4.85 -0.23 -0.71 2.01 -0.32 -4.66 115.64 116.36 3hs0 s THR 111 Ca -0.01 -0.03 -0.25 0.00 0.31 0.00 0.00 61.69 61.71 3hs0 s THR 111 Cb -0.13 -3.13 -0.00 0.00 0.01 0.00 0.00 72.50 69.25 3hs0 s THR 111 CO 0.03 0.54 0.85 -0.22 -0.69 0.00 0.00 174.62 175.13 3hs0 s LEU 112 N -0.34 4.10 0.04 4.42 2.96 -1.26 -1.43 118.68 127.16 3hs0 s LEU 112 Ca 0.09 1.09 0.03 0.00 -0.22 0.00 0.00 54.13 55.11 3hs0 s LEU 112 Cb -0.12 -3.23 -0.04 0.00 0.50 0.00 0.00 46.19 43.30 3hs0 s LEU 112 CO 0.02 -0.52 0.02 -0.13 -1.32 0.00 0.00 176.35 174.43 3hs0 s ARG 113 N 2.78 2.77 0.24 1.98 0.52 0.23 -4.96 118.95 122.50 3hs0 s ARG 113 Ca 0.36 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 54.90 3hs0 s ARG 113 Cb -0.15 -2.67 0.00 0.00 0.52 0.00 0.00 34.95 32.65 3hs0 s ARG 113 CO 0.08 0.59 0.00 0.41 0.02 0.00 0.00 175.30 176.40 3hs0 n GLY 114 N 0.95 -1.79 3.53 -3.53 0.00 -1.26 -0.24 105.19 102.84 3hs0 n GLY 114 Ca -0.12 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 3hs0 n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hs0 s SER 115 N -4.00 6.35 0.14 1.61 0.01 -1.16 -4.89 113.70 111.77 3hs0 s SER 115 Ca 0.00 -0.31 -0.20 0.00 1.31 0.00 0.00 55.95 56.75 3hs0 s SER 115 Cb 0.00 -2.44 0.01 0.00 0.21 0.00 0.00 66.02 63.80 3hs0 s SER 115 CO 0.00 -1.23 1.68 0.00 0.41 0.00 0.00 173.24 174.10 3hs0 h ALA 116 N 9.31 0.09 -3.18 1.44 0.00 -1.90 -3.41 119.26 121.61 3hs0 h ALA 116 Ca -0.26 0.09 -0.65 0.00 0.00 0.00 0.00 54.91 54.09 3hs0 h ALA 116 Cb 1.07 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 19.03 3hs0 h ALA 116 CO 1.09 -0.52 -0.60 -0.80 0.00 0.00 0.00 179.25 178.42 3hs0 s ASN 117 N -5.15 5.52 -0.05 0.00 0.01 -1.26 -0.86 114.94 113.15 3hs0 s ASN 117 Ca -0.14 0.06 -0.03 0.00 -0.71 0.00 0.00 52.86 52.04 3hs0 s ASN 117 Cb 0.12 -1.52 0.02 0.00 0.41 0.00 0.00 41.25 40.28 3hs0 s ASN 117 CO 0.69 0.24 0.13 -0.13 -1.51 0.00 0.00 177.10 176.51 3hs0 s ARG 118 N -1.95 0.11 0.02 -0.60 0.52 -0.53 -4.87 118.95 111.66 3hs0 s ARG 118 Ca 0.25 0.25 0.03 0.00 -0.52 0.00 0.00 55.73 55.74 3hs0 s ARG 118 Cb -0.12 -0.05 -0.04 0.00 0.52 0.00 0.00 34.95 35.27 3hs0 s ARG 118 CO 0.16 -0.08 -0.05 0.99 0.02 0.00 0.00 175.30 176.34 3hs0 s THR 119 N 0.55 3.75 -0.03 0.02 2.01 -1.26 -1.31 115.64 119.37 3hs0 s THR 119 Ca -0.04 -0.80 -0.30 0.00 0.31 0.00 0.00 61.69 60.86 3hs0 s THR 119 Cb -0.06 -2.66 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 3hs0 s THR 119 CO -0.02 0.35 1.05 0.00 -0.69 0.00 0.00 174.62 175.30 3hs0 s GLN 121 N 1.43 3.41 0.00 0.00 -0.21 -0.67 -1.09 119.66 122.54 3hs0 s GLN 121 Ca 0.53 -0.76 0.00 0.00 0.02 0.00 0.00 55.36 55.14 3hs0 s GLN 121 Cb -0.22 -2.87 0.00 0.00 1.00 0.00 0.00 33.01 30.92 3hs0 s GLN 121 CO 0.25 0.39 0.42 1.55 -2.12 0.00 0.00 175.29 175.78 3hs0 n VAL 122 N -1.45 0.00 -1.00 1.09 3.14 -1.26 -1.36 118.33 117.50 3hs0 n VAL 122 Ca -0.08 0.00 0.06 0.00 -2.96 0.00 0.00 64.34 61.36 3hs0 n VAL 122 Cb 0.57 -0.93 0.09 0.00 -1.06 0.00 0.00 33.84 32.50 3hs0 n VAL 122 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 3hs0 n ASN 123 N -0.92 1.81 0.00 6.55 6.94 -1.26 -3.74 115.26 124.64 3hs0 n ASN 123 Ca 0.00 -2.61 0.00 0.00 -0.02 0.00 0.00 54.58 51.95 3hs0 n ASN 123 Cb 0.00 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.13 3hs0 n ASN 123 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hs0 n GLY 124 N -0.97 0.61 3.75 4.83 0.00 -0.46 -4.68 105.19 108.27 3hs0 n GLY 124 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 3hs0 n GLY 124 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hs0 s ARG 125 N -0.13 2.97 0.29 1.61 1.81 -1.26 -4.45 118.95 119.78 3hs0 s ARG 125 Ca 0.00 -0.54 -0.28 0.00 -1.72 0.00 0.00 55.73 53.20 3hs0 s ARG 125 Cb 0.00 -2.80 -0.10 0.00 -0.45 0.00 0.00 34.95 31.61 3hs0 s ARG 125 CO 0.00 0.63 0.94 -1.58 -0.68 0.00 0.00 175.30 174.62 3hs0 s TRP 126 N -1.18 3.81 1.16 -0.53 0.52 -1.26 -1.67 118.94 119.79 3hs0 s TRP 126 Ca 0.22 1.84 -0.18 0.00 0.02 0.00 0.00 56.10 58.00 3hs0 s TRP 126 Cb -0.12 -2.95 0.27 0.00 -1.15 0.00 0.00 33.47 29.52 3hs0 s TRP 126 CO 0.13 0.30 1.10 -1.54 0.02 0.00 0.00 176.95 176.96 3hs0 s SER 127 N -1.44 1.24 0.75 2.95 1.04 0.24 -4.88 113.70 113.61 3hs0 s SER 127 Ca 0.47 0.76 0.00 0.00 0.48 0.00 0.00 55.95 57.66 3hs0 s SER 127 Cb -0.22 -1.11 0.00 0.00 0.10 0.00 0.00 66.02 64.80 3hs0 s SER 127 CO 0.27 -3.94 0.00 0.61 0.98 0.00 0.00 173.24 171.17 3hs0 n GLY 128 N -0.93 0.31 3.80 7.32 0.00 -1.26 -4.64 105.19 109.79 3hs0 n GLY 128 Ca 0.11 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 3hs0 n GLY 128 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hs0 s GLN 129 N 0.00 2.28 0.05 1.61 1.11 -1.26 -5.01 119.66 118.43 3hs0 s GLN 129 Ca 0.00 -1.87 -0.31 0.00 0.01 0.00 0.00 55.36 53.19 3hs0 s GLN 129 Cb 0.00 -2.03 -0.08 0.00 -1.01 0.00 0.00 33.01 29.89 3hs0 s GLN 129 CO 0.00 -0.25 1.66 0.99 0.01 0.00 0.00 175.29 177.70 3hs0 s THR 130 N -2.64 3.12 0.27 -0.19 2.01 -1.26 -2.96 115.64 113.98 3hs0 s THR 130 Ca 0.38 0.51 -0.29 0.00 0.31 0.00 0.00 61.69 62.60 3hs0 s THR 130 Cb 0.01 -3.33 -0.09 0.00 0.01 0.00 0.00 72.50 69.10 3hs0 s THR 130 CO 0.22 -0.01 1.01 0.00 -0.69 0.00 0.00 174.62 175.15 3hs0 s ALA 131 N 2.84 3.35 -0.05 7.40 0.00 -1.26 -4.31 121.76 129.73 3hs0 s ALA 131 Ca 0.74 0.74 -0.03 0.00 0.00 0.00 0.00 51.96 53.41 3hs0 s ALA 131 Cb -0.39 -3.26 0.03 0.00 0.00 0.00 0.00 23.12 19.50 3hs0 s ALA 131 CO 0.32 0.03 0.11 0.42 0.00 0.00 0.00 175.76 176.65 3hs0 s ILE 132 N -1.21 -0.04 -0.35 0.00 1.01 0.67 -4.60 121.20 116.68 3hs0 s ILE 132 Ca 0.44 0.14 -0.12 0.00 0.00 0.00 0.00 60.65 61.10 3hs0 s ILE 132 Cb -0.28 -0.19 0.00 0.00 0.01 0.00 0.00 42.46 42.00 3hs0 s ILE 132 CO 0.35 0.06 0.22 0.00 0.00 0.00 0.00 174.94 175.57 3hs0 s ASP 134 N 1.65 2.76 0.00 0.00 -1.08 -0.52 -4.81 116.67 114.67 3hs0 s ASP 134 Ca 0.05 -0.45 0.27 0.00 -0.52 0.00 0.00 52.55 51.90 3hs0 s ASP 134 Cb -0.18 -0.68 1.03 0.00 -1.46 0.00 0.00 42.92 41.63 3hs0 s ASP 134 CO 0.09 0.23 1.73 -0.46 0.52 0.00 0.00 175.17 177.27 3hs0 n ASN 135 N 2.92 1.51 -2.14 -0.34 6.94 -1.26 -1.17 115.26 121.72 3hs0 n ASN 135 Ca -0.17 -1.51 -0.18 0.00 -0.02 0.00 0.00 54.58 52.70 3hs0 n ASN 135 Cb 0.52 -0.01 -0.03 0.00 -2.36 0.00 0.00 39.78 37.90 3hs0 n ASN 135 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hs0 n GLY 136 N 1.17 0.16 0.05 4.83 0.00 -1.26 -4.84 105.19 105.30 3hs0 n GLY 136 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 3hs0 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hs0 n ALA 137 N -1.16 1.94 -1.74 4.61 0.00 -1.26 -4.97 120.51 117.92 3hs0 n ALA 137 Ca -0.20 -0.72 -0.37 0.00 0.00 0.00 0.00 53.44 52.16 3hs0 n ALA 137 Cb 0.63 -0.17 0.05 0.00 0.00 0.00 0.00 19.45 19.96 3hs0 n ALA 137 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hs0 s GLY 138 N -4.34 2.81 0.33 0.00 0.00 -1.26 -4.87 107.32 99.99 3hs0 s GLY 138 Ca -0.06 1.13 0.07 0.00 0.00 0.00 0.00 44.72 45.86 3hs0 s GLY 138 CO 0.56 1.55 1.83 -1.82 0.00 0.00 0.00 173.10 175.22 3hs0 h TYR 139 N 0.83 0.95 -1.05 1.90 3.20 -1.74 -3.41 116.97 117.64 3hs0 h TYR 139 Ca -0.51 0.03 -0.57 0.00 3.14 0.00 0.00 58.73 60.82 3hs0 h TYR 139 Cb 1.31 -0.29 -0.06 0.00 1.54 0.00 0.00 36.73 39.23 3hs0 h TYR 139 CO 0.44 0.30 -0.40 0.00 -1.64 0.00 0.00 178.16 176.86 3hs0 s SER 141 N -4.10 1.78 -0.20 0.00 1.04 -1.26 -4.82 113.70 106.15 3hs0 s SER 141 Ca 0.36 0.97 -0.29 0.00 0.48 0.00 0.00 55.95 57.47 3hs0 s SER 141 Cb -0.00 -1.48 -0.01 0.00 0.10 0.00 0.00 66.02 64.63 3hs0 s SER 141 CO 0.21 -3.63 1.23 0.21 0.98 0.00 0.00 173.24 172.24 3hs0 s ASN 142 N -3.57 6.93 0.61 7.02 3.84 -1.26 -4.89 114.94 123.62 3hs0 s ASN 142 Ca 0.68 1.56 0.33 0.00 0.21 0.00 0.00 52.86 55.63 3hs0 s ASN 142 Cb -0.16 -2.54 1.95 0.00 -0.55 0.00 0.00 41.25 39.96 3hs0 s ASN 142 CO 0.57 -0.79 2.28 -0.65 -2.79 0.00 0.00 177.10 175.72 3hs0 h PRO 143 N 8.23 0.00 0.00 0.43 0.11 -1.99 -3.48 132.00 135.30 3hs0 h PRO 143 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3hs0 h PRO 143 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3hs0 h PRO 143 CO 0.98 0.01 0.00 0.41 -0.21 0.00 0.00 178.00 179.19 3hs0 n GLY 144 N -1.23 -1.23 2.78 -0.55 0.00 -1.26 -4.84 105.19 98.86 3hs0 n GLY 144 Ca -0.03 -1.58 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 3hs0 n GLY 144 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hs0 s ILE 145 N -1.22 1.24 0.10 -0.61 1.01 -1.26 -4.99 121.20 115.47 3hs0 s ILE 145 Ca 0.00 -1.81 -0.35 0.00 0.00 0.00 0.00 60.65 58.49 3hs0 s ILE 145 Cb 0.00 -1.92 -0.14 0.00 0.01 0.00 0.00 42.46 40.40 3hs0 s ILE 145 CO 0.00 -0.71 1.55 -2.65 0.00 0.00 0.00 174.94 173.13 3hs0 n PRO 146 N 4.47 1.85 -1.59 2.79 -0.02 -1.26 -4.78 135.00 136.46 3hs0 n PRO 146 Ca 0.01 0.67 -0.44 0.00 -2.02 0.00 0.00 63.50 61.72 3hs0 n PRO 146 Cb 0.40 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.44 3hs0 n PRO 146 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3hs0 n ILE 147 N 3.40 0.37 0.00 4.25 5.41 -1.26 -1.52 119.36 130.01 3hs0 n ILE 147 Ca 0.18 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.53 3hs0 n ILE 147 Cb 0.26 -2.42 0.00 0.00 -0.71 0.00 0.00 39.64 36.76 3hs0 n ILE 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hs0 n GLY 148 N 5.71 1.41 3.94 7.39 0.00 -1.26 -4.76 105.19 117.62 3hs0 n GLY 148 Ca 0.30 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.12 3hs0 n GLY 148 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hs0 s THR 149 N -1.13 2.62 -0.05 2.61 -4.23 -0.57 -4.09 115.64 110.80 3hs0 s THR 149 Ca 0.00 -1.22 0.04 0.00 -1.18 0.00 0.00 61.69 59.34 3hs0 s THR 149 Cb 0.00 -2.83 -0.00 0.00 1.34 0.00 0.00 72.50 71.00 3hs0 s THR 149 CO 0.00 0.00 -0.17 -0.13 -0.54 0.00 0.00 174.62 173.78 3hs0 s ARG 150 N -4.27 1.86 -0.16 3.99 0.52 -0.97 -4.43 118.95 115.49 3hs0 s ARG 150 Ca 0.50 -0.62 -0.01 0.00 -0.52 0.00 0.00 55.73 55.08 3hs0 s ARG 150 Cb -0.05 -1.60 -0.01 0.00 0.52 0.00 0.00 34.95 33.81 3hs0 s ARG 150 CO 0.30 0.23 -0.10 0.21 0.02 0.00 0.00 175.30 175.96 3hs0 s LYS 151 N 0.08 3.36 -0.14 3.54 2.20 -1.26 -2.87 119.74 124.65 3hs0 s LYS 151 Ca -0.05 -0.67 -0.05 0.00 -0.36 0.00 0.00 55.97 54.84 3hs0 s LYS 151 Cb -0.12 -2.76 -0.04 0.00 -1.51 0.00 0.00 37.83 33.40 3hs0 s LYS 151 CO 0.03 0.05 0.03 0.08 -0.36 0.00 0.00 175.35 175.17 3hs0 s VAL 152 N 0.79 4.49 0.00 4.02 1.01 -0.55 -4.95 120.40 125.21 3hs0 s VAL 152 Ca -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3hs0 s VAL 152 Cb -0.15 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.26 3hs0 s VAL 152 CO 0.01 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.24 3hs0 n GLY 153 N 3.00 1.70 0.00 4.51 0.00 -1.26 -1.66 105.19 111.48 3hs0 n GLY 153 Ca -0.18 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3hs0 n GLY 153 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hs0 n SER 154 N 0.00 1.18 -4.58 1.61 7.64 -1.26 -4.85 113.62 113.35 3hs0 n SER 154 Ca 0.00 -1.33 -0.36 0.00 1.01 0.00 0.00 58.87 58.19 3hs0 n SER 154 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 3hs0 n SER 154 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3hs0 s GLN 155 N -0.33 3.90 -0.38 1.43 -0.21 -1.26 -5.00 119.66 117.81 3hs0 s GLN 155 Ca 0.00 -0.37 0.05 0.00 0.02 0.00 0.00 55.36 55.07 3hs0 s GLN 155 Cb 0.00 -3.33 0.47 0.00 1.00 0.00 0.00 33.01 31.15 3hs0 s GLN 155 CO 0.00 0.07 1.48 0.66 -2.12 0.00 0.00 175.29 175.39 3hs0 n TYR 156 N 4.17 2.30 -1.62 0.91 4.01 -1.26 -4.63 117.16 121.04 3hs0 n TYR 156 Ca -0.16 -2.21 -0.30 0.00 -0.16 0.00 0.00 57.90 55.07 3hs0 n TYR 156 Cb 0.52 -0.66 0.22 0.00 -0.31 0.00 0.00 39.34 39.11 3hs0 n TYR 156 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3hs0 s ARG 157 N -3.54 -0.24 -0.04 -0.72 0.52 -1.26 -2.15 118.95 111.52 3hs0 s ARG 157 Ca 0.52 -0.36 -0.30 0.00 -0.52 0.00 0.00 55.73 55.07 3hs0 s ARG 157 Cb 0.43 -1.74 -0.06 0.00 0.52 0.00 0.00 34.95 34.10 3hs0 s ARG 157 CO 0.01 -3.01 1.68 -1.17 0.02 0.00 0.00 175.30 172.83 3hs0 s LEU 158 N -6.32 4.33 0.00 2.53 2.96 -1.26 -2.43 118.68 118.49 3hs0 s LEU 158 Ca 0.74 2.29 0.00 0.00 -0.22 0.00 0.00 54.13 56.94 3hs0 s LEU 158 Cb -0.05 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.11 3hs0 s LEU 158 CO 0.54 -0.93 0.00 -0.62 -1.32 0.00 0.00 176.35 174.02 3hs0 n GLU 159 N 7.04 0.00 -2.04 1.98 -0.58 -0.84 -5.02 120.64 121.17 3hs0 n GLU 159 Ca 0.17 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.59 3hs0 n GLU 159 Cb 0.42 -1.89 0.01 0.00 -0.57 0.00 0.00 31.44 29.41 3hs0 n GLU 159 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3hs0 s ASP 160 N -2.23 5.94 0.19 1.62 1.11 -1.02 -4.72 116.67 117.57 3hs0 s ASP 160 Ca 0.00 1.70 0.09 0.00 0.18 0.00 0.00 52.55 54.52 3hs0 s ASP 160 Cb 0.00 -2.52 -0.04 0.00 1.07 0.00 0.00 42.92 41.43 3hs0 s ASP 160 CO 0.00 -1.06 -0.18 -0.44 1.18 0.00 0.00 175.17 174.67 3hs0 s SER 161 N -3.09 2.83 0.03 0.27 0.01 -1.26 -0.46 113.70 112.02 3hs0 s SER 161 Ca 0.61 -0.92 0.05 0.00 1.31 0.00 0.00 55.95 56.99 3hs0 s SER 161 Cb -0.14 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 65.89 3hs0 s SER 161 CO 0.39 -0.05 -0.14 0.68 0.41 0.00 0.00 173.24 174.53 3hs0 s VAL 162 N -2.32 1.14 0.05 3.43 -7.23 -0.02 -4.75 120.40 110.71 3hs0 s VAL 162 Ca 0.20 -0.90 0.06 0.00 -1.81 0.00 0.00 61.98 59.53 3hs0 s VAL 162 Cb -0.05 -1.01 -0.04 0.00 0.56 0.00 0.00 36.38 35.85 3hs0 s VAL 162 CO 0.08 0.10 -0.12 0.42 -0.31 0.00 0.00 175.10 175.27 3hs0 s THR 163 N -0.70 3.24 0.10 5.32 -4.23 -0.66 -1.08 115.64 117.63 3hs0 s THR 163 Ca 0.03 -1.10 0.09 0.00 -1.18 0.00 0.00 61.69 59.54 3hs0 s THR 163 Cb -0.07 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 3hs0 s THR 163 CO 0.01 0.27 -0.24 -0.31 -0.54 0.00 0.00 174.62 173.82 3hs0 s TYR 164 N -1.05 2.03 0.17 3.99 2.02 0.22 -1.49 117.35 123.24 3hs0 s TYR 164 Ca 0.18 -0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 56.38 3hs0 s TYR 164 Cb -0.11 -1.12 -0.00 0.00 -0.40 0.00 0.00 41.96 40.33 3hs0 s TYR 164 CO 0.09 0.24 0.32 -3.38 -1.57 0.00 0.00 175.55 171.24 3hs0 s HIS 165 N -1.06 0.32 0.15 2.71 -3.43 -1.14 -4.76 115.29 108.08 3hs0 s HIS 165 Ca 0.10 -0.68 0.06 0.00 -0.80 0.00 0.00 55.06 53.73 3hs0 s HIS 165 Cb -0.10 0.01 -0.04 0.00 -1.43 0.00 0.00 32.58 31.02 3hs0 s HIS 165 CO 0.05 -0.74 0.05 0.00 -2.00 0.00 0.00 174.74 172.09 3hs0 n SER 167 N -0.04 3.05 -4.50 0.00 2.88 -1.26 -4.84 113.62 108.92 3hs0 n SER 167 Ca -0.09 1.05 -0.48 0.00 -1.33 0.00 0.00 58.87 58.02 3hs0 n SER 167 Cb 0.54 -1.38 -0.03 0.00 -0.75 0.00 0.00 64.21 62.59 3hs0 n SER 167 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3hs0 n ARG 168 N 4.37 0.65 -0.05 -1.46 1.74 -1.26 -1.69 116.66 118.96 3hs0 n ARG 168 Ca 0.19 0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 3hs0 n ARG 168 Cb 0.28 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 3hs0 n ARG 168 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hs0 n GLY 169 N 1.69 0.42 3.38 -0.13 0.00 -1.26 -5.06 105.19 104.23 3hs0 n GLY 169 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 3hs0 n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hs0 s LEU 170 N 0.00 2.55 0.11 0.99 1.02 -0.68 -4.77 118.68 117.90 3hs0 s LEU 170 Ca 0.00 -1.06 0.08 0.00 0.02 0.00 0.00 54.13 53.18 3hs0 s LEU 170 Cb 0.00 -0.73 -0.04 0.00 0.02 0.00 0.00 46.19 45.44 3hs0 s LEU 170 CO 0.00 -0.18 -0.16 0.42 0.02 0.00 0.00 176.35 176.46 3hs0 s THR 171 N -2.91 2.99 0.07 5.49 -4.23 -0.92 -4.82 115.64 111.30 3hs0 s THR 171 Ca 0.25 -1.44 -0.18 0.00 -1.18 0.00 0.00 61.69 59.14 3hs0 s THR 171 Cb -0.00 -2.38 -0.07 0.00 1.34 0.00 0.00 72.50 71.39 3hs0 s THR 171 CO 0.09 0.10 0.54 -0.22 -0.54 0.00 0.00 174.62 174.59 3hs0 s LEU 172 N -2.16 4.50 -0.11 4.79 2.96 -1.26 -1.96 118.68 125.44 3hs0 s LEU 172 Ca 0.19 1.19 0.00 0.00 -0.22 0.00 0.00 54.13 55.30 3hs0 s LEU 172 Cb -0.11 -2.87 0.02 0.00 0.50 0.00 0.00 46.19 43.73 3hs0 s LEU 172 CO 0.11 0.27 -0.10 -0.60 -1.32 0.00 0.00 176.35 174.71 3hs0 s ARG 173 N -1.17 1.73 0.00 1.98 3.52 -0.73 -4.78 118.95 119.50 3hs0 s ARG 173 Ca 0.29 -0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.53 3hs0 s ARG 173 Cb -0.19 -1.66 0.00 0.00 -1.56 0.00 0.00 34.95 31.54 3hs0 s ARG 173 CO 0.18 -0.20 0.00 0.41 -0.81 0.00 0.00 175.30 174.88 3hs0 n GLY 174 N 4.66 -0.35 3.72 8.12 0.00 -1.26 -1.17 105.19 118.90 3hs0 n GLY 174 Ca -0.16 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.25 3hs0 n GLY 174 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hs0 s SER 175 N -4.00 7.43 0.11 1.61 0.01 -0.96 -4.92 113.70 112.97 3hs0 s SER 175 Ca 0.00 1.72 0.09 0.00 1.31 0.00 0.00 55.95 59.07 3hs0 s SER 175 Cb 0.00 -2.57 -0.18 0.00 0.21 0.00 0.00 66.02 63.48 3hs0 s SER 175 CO 0.00 -0.15 1.18 0.06 0.41 0.00 0.00 173.24 174.74 3hs0 h GLN 176 N 6.11 0.00 -5.59 12.44 -0.00 -1.89 -3.40 115.11 122.78 3hs0 h GLN 176 Ca -0.42 0.00 -0.52 0.00 -0.00 0.00 0.00 58.65 57.71 3hs0 h GLN 176 Cb 1.21 0.00 -0.28 0.00 -0.00 0.00 0.00 27.48 28.42 3hs0 h GLN 176 CO 0.73 0.82 -0.82 0.50 -0.00 0.00 0.00 178.83 180.06 3hs0 s ARG 177 N -2.73 1.27 -0.01 0.06 3.52 -1.26 0.72 118.95 120.52 3hs0 s ARG 177 Ca 0.00 -0.67 0.02 0.00 -0.13 0.00 0.00 55.73 54.95 3hs0 s ARG 177 Cb 0.09 -1.26 -0.00 0.00 -1.56 0.00 0.00 34.95 32.22 3hs0 s ARG 177 CO 0.81 0.34 -0.07 1.03 -0.81 0.00 0.00 175.30 176.60 3hs0 s ARG 178 N -0.65 0.54 0.04 5.12 0.52 -0.24 -4.79 118.95 119.49 3hs0 s ARG 178 Ca 0.06 -0.24 0.07 0.00 -0.52 0.00 0.00 55.73 55.10 3hs0 s ARG 178 Cb -0.07 -0.52 -0.03 0.00 0.52 0.00 0.00 34.95 34.84 3hs0 s ARG 178 CO 0.00 0.14 -0.18 0.99 0.02 0.00 0.00 175.30 176.28 3hs0 s THR 179 N -0.15 2.81 -0.07 0.02 2.01 -1.26 -0.84 115.64 118.15 3hs0 s THR 179 Ca 0.02 -1.16 -0.30 0.00 0.31 0.00 0.00 61.69 60.57 3hs0 s THR 179 Cb -0.03 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 3hs0 s THR 179 CO -0.00 0.35 1.04 0.00 -0.69 0.00 0.00 174.62 175.31 3hs0 s GLN 181 N 1.83 2.62 0.27 0.00 -0.21 -0.87 -1.99 119.66 121.31 3hs0 s GLN 181 Ca 0.50 -1.36 0.01 0.00 0.02 0.00 0.00 55.36 54.54 3hs0 s GLN 181 Cb -0.20 -2.38 0.60 0.00 1.00 0.00 0.00 33.01 32.02 3hs0 s GLN 181 CO 0.21 0.13 1.76 1.49 -2.12 0.00 0.00 175.29 176.75 3hs0 h GLU 182 N 1.37 0.60 -0.48 2.91 4.81 -1.96 -1.43 114.58 120.40 3hs0 h GLU 182 Ca -0.45 -0.04 0.13 0.00 -0.13 0.00 0.00 59.36 58.88 3hs0 h GLU 182 Cb 1.25 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 3hs0 h GLU 182 CO 0.60 0.40 0.34 0.78 -0.73 0.00 0.00 179.01 180.40 3hs0 h GLY 183 N 0.62 0.07 0.00 1.92 0.00 -2.00 -3.45 103.07 100.23 3hs0 h GLY 183 Ca 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.81 3hs0 h GLY 183 CO -0.39 0.01 0.00 0.61 0.00 0.00 0.00 176.54 176.77 3hs0 n GLY 184 N -1.62 1.04 4.00 4.60 0.00 -0.54 -5.10 105.19 107.58 3hs0 n GLY 184 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 3hs0 n GLY 184 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hs0 s SER 185 N -1.96 5.80 -0.00 1.61 1.04 -1.26 -4.34 113.70 114.59 3hs0 s SER 185 Ca 0.00 -0.29 -0.14 0.00 0.48 0.00 0.00 55.95 56.00 3hs0 s SER 185 Cb 0.00 -0.95 -0.06 0.00 0.10 0.00 0.00 66.02 65.12 3hs0 s SER 185 CO 0.00 -0.61 0.39 0.26 0.98 0.00 0.00 173.24 174.26 3hs0 s TRP 186 N -2.28 3.71 1.10 5.02 0.52 -1.26 -2.05 118.94 123.69 3hs0 s TRP 186 Ca 0.50 0.95 -0.12 0.00 0.02 0.00 0.00 56.10 57.45 3hs0 s TRP 186 Cb -0.10 -2.26 0.25 0.00 -1.15 0.00 0.00 33.47 30.21 3hs0 s TRP 186 CO 0.32 0.64 1.06 -1.54 0.02 0.00 0.00 176.95 177.46 3hs0 s SER 187 N -1.13 1.49 0.96 2.95 1.04 0.20 -4.76 113.70 114.45 3hs0 s SER 187 Ca 0.24 1.71 0.00 0.00 0.48 0.00 0.00 55.95 58.38 3hs0 s SER 187 Cb -0.16 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.57 3hs0 s SER 187 CO 0.13 -3.91 0.00 0.61 0.98 0.00 0.00 173.24 171.05 3hs0 n GLY 188 N 0.64 0.91 3.11 7.32 0.00 -1.26 -4.45 105.19 111.47 3hs0 n GLY 188 Ca 0.05 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 3hs0 n GLY 188 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hs0 s THR 189 N 0.00 0.64 0.08 2.61 -1.32 -1.26 -1.54 115.64 114.85 3hs0 s THR 189 Ca 0.00 -1.44 -0.33 0.00 -1.21 0.00 0.00 61.69 58.71 3hs0 s THR 189 Cb 0.00 -1.07 -0.12 0.00 -1.51 0.00 0.00 72.50 69.80 3hs0 s THR 189 CO 0.00 -0.57 1.74 1.21 -2.21 0.00 0.00 174.62 174.79 3hs0 n GLU 190 N 0.84 2.37 -1.72 7.08 2.13 -1.26 -2.27 120.64 127.81 3hs0 n GLU 190 Ca -0.18 0.86 -0.30 0.00 0.66 0.00 0.00 57.16 58.20 3hs0 n GLU 190 Cb 0.57 -2.69 0.07 0.00 0.27 0.00 0.00 31.44 29.67 3hs0 n GLU 190 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3hs0 s PRO 191 N 2.30 2.35 0.14 5.31 0.02 -1.26 -4.67 135.00 139.19 3hs0 s PRO 191 Ca 0.83 0.50 -0.17 0.00 0.02 0.00 0.00 61.00 62.18 3hs0 s PRO 191 Cb -0.62 -1.96 0.04 0.00 0.02 0.00 0.00 34.50 31.98 3hs0 s PRO 191 CO 0.41 -1.41 0.45 -1.54 -0.33 0.00 0.00 177.00 174.58 3hs0 s SER 192 N -4.16 -0.30 -0.11 2.53 1.04 -0.32 -4.80 113.70 107.58 3hs0 s SER 192 Ca 0.60 -0.28 -0.04 0.00 0.48 0.00 0.00 55.95 56.71 3hs0 s SER 192 Cb -0.13 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 3hs0 s SER 192 CO 0.53 -0.89 0.04 0.00 0.98 0.00 0.00 173.24 173.89 3hs0 s GLN 194 N -0.60 1.94 0.69 0.00 -1.52 -0.83 -4.98 119.66 114.36 3hs0 s GLN 194 Ca 0.11 -0.52 -0.06 0.00 -1.95 0.00 0.00 55.36 52.94 3hs0 s GLN 194 Cb -0.12 -1.57 0.06 0.00 -0.22 0.00 0.00 33.01 31.16 3hs0 s GLN 194 CO 0.02 0.08 0.99 -0.51 -0.25 0.00 0.00 175.29 175.62 3hs0 s ASP 195 N 0.53 4.87 0.46 5.90 1.01 -1.26 -2.17 116.67 126.00 3hs0 s ASP 195 Ca -0.14 0.41 0.24 0.00 0.71 0.00 0.00 52.55 53.77 3hs0 s ASP 195 Cb -0.16 -1.09 1.10 0.00 1.01 0.00 0.00 42.92 43.79 3hs0 s ASP 195 CO 0.04 -1.55 1.92 0.77 0.21 0.00 0.00 175.17 176.56 3hs0 h SER 196 N -0.53 0.00 0.16 0.27 4.64 -2.01 -3.21 113.55 112.88 3hs0 h SER 196 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3hs0 h SER 196 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3hs0 h SER 196 CO 0.60 0.21 -1.39 2.22 -0.87 0.00 0.00 176.83 177.60 3hs0 n PHE 197 N -3.56 0.11 -2.23 4.77 -1.74 -1.26 -4.95 117.46 108.60 3hs0 n PHE 197 Ca -0.01 0.03 -0.36 0.00 -0.56 0.00 0.00 57.45 56.56 3hs0 n PHE 197 Cb 0.36 -0.35 0.00 0.00 1.52 0.00 0.00 39.48 41.01 3hs0 n PHE 197 CO 0.00 0.00 0.00 -1.64 -0.56 0.00 0.00 176.76 174.56 3hs0 s MET 198 N -3.27 3.40 0.20 3.97 -1.94 -1.21 -5.05 119.30 115.40 3hs0 s MET 198 Ca 0.00 1.67 -0.06 0.00 -1.71 0.00 0.00 55.69 55.59 3hs0 s MET 198 Cb 0.15 -2.08 -0.02 0.00 2.01 0.00 0.00 34.83 34.88 3hs0 s MET 198 CO 0.86 -0.83 0.26 0.71 -0.01 0.00 0.00 175.02 176.01 3hs0 s TYR 199 N -1.70 0.73 -0.26 -0.03 2.02 -1.26 -4.86 117.35 111.98 3hs0 s TYR 199 Ca 0.71 -1.04 -0.11 0.00 -0.37 0.00 0.00 57.07 56.27 3hs0 s TYR 199 Cb -0.26 -0.22 -0.05 0.00 -0.40 0.00 0.00 41.96 41.03 3hs0 s TYR 199 CO 0.29 -0.75 0.17 -0.51 -1.57 0.00 0.00 175.55 173.18 3hs0 s ASP 200 N -3.07 6.01 0.53 2.29 1.01 -0.45 -5.03 116.67 117.96 3hs0 s ASP 200 Ca 0.28 0.03 -0.21 0.00 0.71 0.00 0.00 52.55 53.36 3hs0 s ASP 200 Cb 0.04 -2.10 -0.05 0.00 1.01 0.00 0.00 42.92 41.81 3hs0 s ASP 200 CO 0.08 -0.00 1.28 0.42 0.21 0.00 0.00 175.17 177.15 3hs0 s THR 201 N 1.46 2.44 0.39 -1.27 -4.23 -1.26 -4.55 115.64 108.64 3hs0 s THR 201 Ca 0.07 0.32 0.06 0.00 -1.18 0.00 0.00 61.69 60.96 3hs0 s THR 201 Cb -0.15 -3.16 0.27 0.00 1.34 0.00 0.00 72.50 70.80 3hs0 s THR 201 CO 0.08 -0.02 2.04 -0.65 -0.54 0.00 0.00 174.62 175.53 3hs0 h PRO 202 N 1.48 0.62 -1.00 3.99 0.11 -1.95 -1.50 132.00 133.75 3hs0 h PRO 202 Ca -0.50 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.61 3hs0 h PRO 202 Cb 1.29 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 3hs0 h PRO 202 CO 0.57 0.41 0.66 1.96 -0.21 0.00 0.00 178.00 181.39 3hs0 h GLN 203 N 0.63 1.23 -0.17 1.05 7.50 -1.92 0.79 115.11 124.23 3hs0 h GLN 203 Ca 0.18 -0.07 -0.03 0.00 0.50 0.00 0.00 58.65 59.23 3hs0 h GLN 203 Cb -0.04 -0.28 -0.01 0.00 0.05 0.00 0.00 27.48 27.21 3hs0 h GLN 203 CO -0.04 0.82 -0.01 0.93 -1.50 0.00 0.00 178.83 179.02 3hs0 h GLU 204 N 1.27 0.31 -0.59 1.46 5.08 -1.66 -2.47 114.58 117.98 3hs0 h GLU 204 Ca 0.40 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.64 3hs0 h GLU 204 Cb -0.00 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3hs0 h GLU 204 CO -0.12 0.54 0.31 0.28 -1.00 0.00 0.00 179.01 179.02 3hs0 h VAL 205 N 0.05 1.20 0.35 3.13 2.07 -1.03 0.81 116.25 122.83 3hs0 h VAL 205 Ca 0.05 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 3hs0 h VAL 205 Cb 0.41 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3hs0 h VAL 205 CO 0.01 0.22 -0.30 0.00 0.02 0.00 0.00 177.57 177.52 3hs0 h ALA 206 N 1.14 -0.67 0.27 1.67 0.00 -0.85 -0.54 119.26 120.27 3hs0 h ALA 206 Ca 0.21 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hs0 h ALA 206 Cb 0.08 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3hs0 h ALA 206 CO -0.03 -0.91 -0.22 1.49 0.00 0.00 0.00 179.25 179.59 3hs0 h GLU 207 N -0.67 -0.47 -0.75 0.00 4.57 -1.31 -2.91 114.58 113.04 3hs0 h GLU 207 Ca -0.02 0.03 0.10 0.00 -1.18 0.00 0.00 59.36 58.29 3hs0 h GLU 207 Cb 0.59 0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 29.22 3hs0 h GLU 207 CO -0.03 -0.32 0.38 0.00 -1.18 0.00 0.00 179.01 177.87 3hs0 h ALA 208 N 0.19 1.04 0.35 2.92 0.00 -0.73 -0.57 119.26 122.46 3hs0 h ALA 208 Ca -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3hs0 h ALA 208 Cb 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3hs0 h ALA 208 CO -0.02 -0.02 -0.17 0.35 0.00 0.00 0.00 179.25 179.39 3hs0 h PHE 209 N 0.64 -0.43 -0.95 0.00 3.57 -1.05 -2.37 116.94 116.35 3hs0 h PHE 209 Ca 0.37 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.87 3hs0 h PHE 209 Cb 0.39 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.23 3hs0 h PHE 209 CO -0.10 -0.10 0.63 -0.07 -2.23 0.00 0.00 178.31 176.44 3hs0 h LEU 210 N -0.88 1.08 -1.82 0.59 3.38 -1.46 0.28 115.31 116.48 3hs0 h LEU 210 Ca -0.05 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 57.96 3hs0 h LEU 210 Cb 0.53 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3hs0 h LEU 210 CO 0.08 0.78 0.24 -1.28 0.09 0.00 0.00 178.44 178.35 3hs0 h SER 211 N 1.27 0.19 0.00 -0.43 0.87 -1.10 0.11 113.55 114.47 3hs0 h SER 211 Ca 0.35 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.84 3hs0 h SER 211 Cb -0.13 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 3hs0 h SER 211 CO -0.08 0.13 -0.39 -1.28 -0.53 0.00 0.00 176.83 174.68 3hs0 h SER 212 N 0.22 0.00 0.04 6.23 0.87 -0.74 -3.37 113.55 116.81 3hs0 h SER 212 Ca 0.16 -0.74 -0.00 0.00 -1.23 0.00 0.00 61.79 59.97 3hs0 h SER 212 Cb 0.35 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 3hs0 h SER 212 CO -0.03 1.10 -0.01 0.25 -0.53 0.00 0.00 176.83 177.60 3hs0 h LEU 213 N -1.00 0.00 0.00 2.23 5.85 -0.11 -3.45 115.31 118.83 3hs0 h LEU 213 Ca -0.10 0.00 -0.49 0.00 0.84 0.00 0.00 57.88 58.13 3hs0 h LEU 213 Cb 0.99 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.90 3hs0 h LEU 213 CO -0.06 0.01 -0.47 0.35 -0.34 0.00 0.00 178.44 177.93 3hs0 n THR 214 N -3.82 0.00 -4.16 1.05 -2.24 0.35 -4.69 114.28 100.78 3hs0 n THR 214 Ca -0.03 -2.44 -0.12 0.00 -2.27 0.00 0.00 64.05 59.19 3hs0 n THR 214 Cb 0.10 1.18 -0.11 0.00 -2.10 0.00 0.00 70.33 69.40 3hs0 n THR 214 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3hs0 s GLU 215 N -3.38 0.79 0.46 -0.78 2.02 -1.07 -4.65 118.70 112.08 3hs0 s GLU 215 Ca 0.38 -1.18 0.03 0.00 0.02 0.00 0.00 54.97 54.22 3hs0 s GLU 215 Cb 0.02 -0.34 -0.03 0.00 0.10 0.00 0.00 34.13 33.87 3hs0 s GLU 215 CO 0.27 0.03 0.04 -0.08 0.02 0.00 0.00 175.26 175.53 3hs0 s THR 216 N -2.83 1.17 0.00 3.63 -1.32 -1.26 -2.15 115.64 112.89 3hs0 s THR 216 Ca 0.06 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.54 3hs0 s THR 216 Cb -0.00 -2.38 0.00 0.00 -1.51 0.00 0.00 72.50 68.61 3hs0 s THR 216 CO -0.02 0.00 0.00 0.29 -2.21 0.00 0.00 174.62 172.68 3hs0 n LYS 233 N -1.10 -0.11 -3.44 7.08 5.02 -1.26 -4.91 118.16 119.44 3hs0 n LYS 233 Ca -0.13 0.11 -0.22 0.00 -2.02 0.00 0.00 58.31 56.05 3hs0 n LYS 233 Cb 0.67 -0.08 -0.01 0.00 -0.02 0.00 0.00 35.03 35.59 3hs0 n LYS 233 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3hs0 s ARG 234 N 0.00 3.28 0.01 1.97 0.52 -1.26 -5.12 118.95 118.34 3hs0 s ARG 234 Ca 0.00 -0.63 -0.00 0.00 -0.52 0.00 0.00 55.73 54.57 3hs0 s ARG 234 Cb 0.00 -2.73 -0.01 0.00 0.52 0.00 0.00 34.95 32.73 3hs0 s ARG 234 CO 0.00 0.09 -0.01 -1.59 0.02 0.00 0.00 175.30 173.81 3hs0 s LYS 235 N -4.27 0.16 -0.20 3.54 -2.85 -0.91 -5.02 119.74 110.19 3hs0 s LYS 235 Ca 0.42 -0.28 -0.27 0.00 -1.00 0.00 0.00 55.97 54.84 3hs0 s LYS 235 Cb -0.10 0.06 -0.00 0.00 -2.06 0.00 0.00 37.83 35.73 3hs0 s LYS 235 CO 0.34 -0.03 0.91 0.42 0.10 0.00 0.00 175.35 177.09 3hs0 s ILE 236 N -0.69 4.80 -0.62 3.79 1.01 -1.26 -2.61 121.20 125.61 3hs0 s ILE 236 Ca -0.08 1.77 -0.26 0.00 0.00 0.00 0.00 60.65 62.08 3hs0 s ILE 236 Cb -0.05 -4.20 0.04 0.00 0.01 0.00 0.00 42.46 38.26 3hs0 s ILE 236 CO -0.00 -0.06 1.11 -0.69 0.00 0.00 0.00 174.94 175.30 3hs0 s VAL 237 N 2.63 4.09 0.19 2.92 1.01 -1.26 -4.99 120.40 124.98 3hs0 s VAL 237 Ca 0.40 0.44 0.04 0.00 0.00 0.00 0.00 61.98 62.86 3hs0 s VAL 237 Cb -0.16 -4.72 -0.03 0.00 0.00 0.00 0.00 36.38 31.47 3hs0 s VAL 237 CO 0.10 -1.42 0.29 -0.76 0.00 0.00 0.00 175.10 173.30 3hs0 s LEU 238 N 4.75 4.23 0.64 3.92 1.43 -1.26 -5.07 118.68 127.32 3hs0 s LEU 238 Ca 0.35 0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.40 3hs0 s LEU 238 Cb -0.10 -2.79 -0.02 0.00 0.03 0.00 0.00 46.19 43.31 3hs0 s LEU 238 CO 0.19 0.00 1.04 -1.81 0.23 0.00 0.00 176.35 176.00 3hs0 s ASP 239 N -3.53 5.92 0.10 2.29 1.11 -1.26 -4.95 116.67 116.35 3hs0 s ASP 239 Ca 0.34 1.50 -0.33 0.00 0.18 0.00 0.00 52.55 54.24 3hs0 s ASP 239 Cb -0.10 -2.48 -0.13 0.00 1.07 0.00 0.00 42.92 41.28 3hs0 s ASP 239 CO 0.28 -1.08 1.71 -2.65 1.18 0.00 0.00 175.17 174.61 3hs0 n PRO 240 N -2.85 2.34 -3.77 8.23 -0.02 -1.26 -1.49 135.00 136.18 3hs0 n PRO 240 Ca 0.07 0.85 -0.26 0.00 -2.02 0.00 0.00 63.50 62.13 3hs0 n PRO 240 Cb 0.54 -2.66 0.05 0.00 -0.02 0.00 0.00 33.50 31.40 3hs0 n PRO 240 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hs0 n SER 241 N 4.62 -4.43 0.00 2.55 2.88 -1.26 -4.98 113.62 113.00 3hs0 n SER 241 Ca 0.18 -0.71 0.00 0.00 -1.33 0.00 0.00 58.87 57.01 3hs0 n SER 241 Cb 0.31 -4.30 0.00 0.00 -0.75 0.00 0.00 64.21 59.48 3hs0 n SER 241 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hs0 n GLY 242 N -1.72 3.54 3.58 0.46 0.00 -0.56 -5.04 105.19 105.45 3hs0 n GLY 242 Ca -0.05 -1.97 -0.07 0.00 0.00 0.00 0.00 46.02 43.94 3hs0 n GLY 242 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hs0 s SER 243 N -0.32 -0.23 -0.02 1.61 0.15 -1.24 -4.96 113.70 108.70 3hs0 s SER 243 Ca 0.00 0.15 0.06 0.00 0.70 0.00 0.00 55.95 56.85 3hs0 s SER 243 Cb 0.00 0.21 -0.01 0.00 -1.71 0.00 0.00 66.02 64.51 3hs0 s SER 243 CO 0.00 -0.29 -0.20 -0.32 1.20 0.00 0.00 173.24 173.63 3hs0 s MET 244 N -1.79 1.70 -0.17 5.44 1.75 -1.26 -0.74 119.30 124.22 3hs0 s MET 244 Ca 0.05 -0.70 0.00 0.00 -1.25 0.00 0.00 55.69 53.79 3hs0 s MET 244 Cb -0.01 -1.59 0.01 0.00 2.84 0.00 0.00 34.83 36.08 3hs0 s MET 244 CO -0.04 0.39 -0.17 -0.80 -0.65 0.00 0.00 175.02 173.75 3hs0 s ASN 245 N -0.35 3.39 -0.25 1.11 -0.87 -0.05 -0.84 114.94 117.07 3hs0 s ASN 245 Ca 0.05 -0.57 -0.05 0.00 -1.57 0.00 0.00 52.86 50.72 3hs0 s ASN 245 Cb -0.09 -1.52 0.00 0.00 -0.02 0.00 0.00 41.25 39.62 3hs0 s ASN 245 CO 0.00 0.03 0.00 -0.63 -2.57 0.00 0.00 177.10 173.93 3hs0 s ILE 246 N 1.14 3.58 -0.35 0.60 1.01 -0.68 -1.31 121.20 125.18 3hs0 s ILE 246 Ca 0.01 -0.60 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 3hs0 s ILE 246 Cb -0.14 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.61 3hs0 s ILE 246 CO -0.07 0.27 0.19 -0.31 0.00 0.00 0.00 174.94 175.02 3hs0 s TYR 247 N 1.48 3.21 -0.49 3.97 2.02 -0.39 -1.32 117.35 125.83 3hs0 s TYR 247 Ca 0.04 -0.72 -0.19 0.00 -0.37 0.00 0.00 57.07 55.83 3hs0 s TYR 247 Cb -0.16 -2.41 0.05 0.00 -0.40 0.00 0.00 41.96 39.05 3hs0 s TYR 247 CO -0.01 -0.54 0.59 -0.51 -1.57 0.00 0.00 175.55 173.51 3hs0 s LEU 248 N 1.60 4.98 -0.32 -1.29 1.43 0.22 -0.89 118.68 124.41 3hs0 s LEU 248 Ca 0.04 -0.89 -0.08 0.00 -1.03 0.00 0.00 54.13 52.16 3hs0 s LEU 248 Cb -0.18 -2.44 0.01 0.00 0.03 0.00 0.00 46.19 43.61 3hs0 s LEU 248 CO 0.07 -0.84 0.12 -0.69 0.23 0.00 0.00 176.35 175.24 3hs0 s VAL 249 N 2.52 4.20 -0.03 -1.59 1.01 0.08 -1.37 120.40 125.22 3hs0 s VAL 249 Ca 0.14 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 3hs0 s VAL 249 Cb -0.19 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 3hs0 s VAL 249 CO 0.12 -0.01 0.09 -0.22 0.00 0.00 0.00 175.10 175.08 3hs0 s LEU 250 N 1.52 3.97 -0.19 3.92 2.96 0.82 -1.36 118.68 130.33 3hs0 s LEU 250 Ca 0.02 0.21 -0.11 0.00 -0.22 0.00 0.00 54.13 54.04 3hs0 s LEU 250 Cb -0.18 -2.21 -0.05 0.00 0.50 0.00 0.00 46.19 44.25 3hs0 s LEU 250 CO 0.04 0.31 0.18 -0.62 -1.32 0.00 0.00 176.35 174.94 3hs0 s ASP 251 N -1.53 6.29 -0.11 3.68 -1.08 -1.07 -1.53 116.67 121.31 3hs0 s ASP 251 Ca 0.21 0.32 0.15 0.00 -0.52 0.00 0.00 52.55 52.72 3hs0 s ASP 251 Cb -0.12 -2.12 0.26 0.00 -1.46 0.00 0.00 42.92 39.48 3hs0 s ASP 251 CO 0.11 0.16 1.13 0.61 0.52 0.00 0.00 175.17 177.70 3hs0 n GLY 252 N 3.46 4.15 3.51 2.66 0.00 0.18 -4.86 105.19 114.29 3hs0 n GLY 252 Ca -0.15 -0.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.62 3hs0 n GLY 252 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hs0 s SER 253 N -2.60 1.14 0.42 1.61 1.04 -1.21 -4.83 113.70 109.26 3hs0 s SER 253 Ca 0.28 1.44 0.08 0.00 0.48 0.00 0.00 55.95 58.23 3hs0 s SER 253 Cb 0.25 -2.21 0.90 0.00 0.10 0.00 0.00 66.02 65.06 3hs0 s SER 253 CO 0.01 -4.09 2.06 1.23 0.98 0.00 0.00 173.24 173.42 3hs0 h GLY 254 N -2.55 0.47 0.74 7.32 0.00 -1.62 -2.85 103.07 104.59 3hs0 h GLY 254 Ca -0.61 -0.19 0.07 0.00 0.00 0.00 0.00 47.33 46.60 3hs0 h GLY 254 CO 0.52 0.18 0.63 1.48 0.00 0.00 0.00 176.54 179.35 3hs0 h SER 255 N 0.45 1.00 0.22 0.19 4.64 -1.91 -2.99 113.55 115.16 3hs0 h SER 255 Ca 0.12 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3hs0 h SER 255 Cb -0.01 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 3hs0 h SER 255 CO -0.02 0.63 -0.19 0.40 -0.87 0.00 0.00 176.83 176.77 3hs0 h ILE 256 N 1.12 0.58 0.00 0.95 1.08 -1.85 -3.49 117.51 115.90 3hs0 h ILE 256 Ca 0.43 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.90 3hs0 h ILE 256 Cb 0.21 0.58 0.00 0.00 -3.07 0.00 0.00 36.82 34.54 3hs0 h ILE 256 CO -0.17 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 177.90 3hs0 n GLY 257 N -1.32 1.75 0.09 5.37 0.00 -1.13 -4.55 105.19 105.41 3hs0 n GLY 257 Ca -0.08 -1.96 -0.08 0.00 0.00 0.00 0.00 46.02 43.89 3hs0 n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hs0 h ALA 258 N 0.00 -0.10 0.13 4.61 0.00 -1.94 -3.20 119.26 118.76 3hs0 h ALA 258 Ca 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.70 3hs0 h ALA 258 Cb 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3hs0 h ALA 258 CO 0.00 -0.13 -0.48 1.03 0.00 0.00 0.00 179.25 179.67 3hs0 h SER 259 N -0.96 -1.42 0.02 0.00 0.87 -2.02 -0.16 113.55 109.88 3hs0 h SER 259 Ca -0.01 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3hs0 h SER 259 Cb 0.49 0.53 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 3hs0 h SER 259 CO 0.02 -0.53 0.00 0.47 -0.53 0.00 0.00 176.83 176.26 3hs0 n ASP 260 N -5.48 0.00 -0.05 6.23 9.92 -1.26 -2.85 116.55 123.06 3hs0 n ASP 260 Ca -0.08 0.15 -0.04 0.00 -0.53 0.00 0.00 54.79 54.29 3hs0 n ASP 260 Cb 0.40 -0.18 -0.01 0.00 -0.64 0.00 0.00 41.12 40.68 3hs0 n ASP 260 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 3hs0 n PHE 261 N -1.18 0.53 0.33 1.24 7.35 -0.09 -3.69 117.46 121.95 3hs0 n PHE 261 Ca 0.01 0.23 0.21 0.00 -0.76 0.00 0.00 57.45 57.13 3hs0 n PHE 261 Cb 0.01 -0.57 1.11 0.00 0.35 0.00 0.00 39.48 40.38 3hs0 n PHE 261 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 3hs0 h THR 262 N -0.72 0.07 -0.18 -2.13 1.35 -1.50 0.36 112.91 110.17 3hs0 h THR 262 Ca 0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.73 3hs0 h THR 262 Cb 0.44 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 3hs0 h THR 262 CO 0.00 0.00 -0.46 1.23 -0.25 0.00 0.00 175.52 176.04 3hs0 h GLY 263 N 0.00 0.48 2.00 5.82 0.00 -1.70 -2.37 103.07 107.29 3hs0 h GLY 263 Ca 0.00 -0.50 -0.15 0.00 0.00 0.00 0.00 47.33 46.68 3hs0 h GLY 263 CO -0.00 0.45 -0.72 0.00 0.00 0.00 0.00 176.54 176.27 3hs0 h ALA 264 N 1.15 0.71 -0.65 3.60 0.00 -0.40 -2.92 119.26 120.75 3hs0 h ALA 264 Ca 0.02 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 3hs0 h ALA 264 Cb 0.94 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3hs0 h ALA 264 CO 0.08 0.91 0.34 -0.22 0.00 0.00 0.00 179.25 180.36 3hs0 h LYS 265 N 0.00 0.92 -0.18 0.00 3.64 -1.05 -2.15 116.57 117.76 3hs0 h LYS 265 Ca -0.01 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 59.29 3hs0 h LYS 265 Cb 1.36 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 3hs0 h LYS 265 CO 0.09 0.71 -0.06 0.87 -2.27 0.00 0.00 179.45 178.79 3hs0 h LYS 266 N 0.89 -0.02 -0.65 1.90 1.57 -1.36 -1.95 116.57 116.95 3hs0 h LYS 266 Ca 0.23 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.14 3hs0 h LYS 266 Cb 0.07 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.29 3hs0 h LYS 266 CO -0.03 -0.01 0.13 0.00 -0.57 0.00 0.00 179.45 178.96 3hs0 h LEU 268 N 0.25 0.00 0.49 0.00 3.38 -1.07 -1.20 115.31 117.16 3hs0 h LEU 268 Ca 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.30 3hs0 h LEU 268 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3hs0 h LEU 268 CO -0.46 0.35 -0.25 0.58 0.09 0.00 0.00 178.44 178.76 3hs0 h VAL 269 N 0.00 0.49 0.00 1.22 2.07 -0.22 -1.63 116.25 118.18 3hs0 h VAL 269 Ca -0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3hs0 h VAL 269 Cb 0.62 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3hs0 h VAL 269 CO 0.05 0.00 -0.19 0.78 0.02 0.00 0.00 177.57 178.22 3hs0 h ASN 270 N -0.68 0.00 -0.36 0.57 4.21 -1.05 -1.31 115.58 116.96 3hs0 h ASN 270 Ca -0.07 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.34 3hs0 h ASN 270 Cb 0.53 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.71 3hs0 h ASN 270 CO 0.10 0.19 -0.17 0.25 -1.29 0.00 0.00 177.43 176.51 3hs0 h LEU 271 N 0.00 0.83 0.18 1.61 5.85 -1.06 -1.27 115.31 121.45 3hs0 h LEU 271 Ca -0.00 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 3hs0 h LEU 271 Cb 0.34 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3hs0 h LEU 271 CO 0.02 0.99 -0.09 0.40 -0.34 0.00 0.00 178.44 179.43 3hs0 h ILE 272 N 0.73 0.83 0.33 4.05 1.08 -0.25 -1.56 117.51 122.72 3hs0 h ILE 272 Ca 0.11 -0.07 -0.01 0.00 -0.39 0.00 0.00 64.86 64.50 3hs0 h ILE 272 Cb 0.68 0.88 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 3hs0 h ILE 272 CO 0.05 0.02 -0.39 -0.33 -0.69 0.00 0.00 178.15 176.81 3hs0 h GLU 273 N -0.28 -0.70 -0.76 2.37 5.08 -1.40 -1.70 114.58 117.18 3hs0 h GLU 273 Ca -0.03 0.05 0.17 0.00 -1.00 0.00 0.00 59.36 58.56 3hs0 h GLU 273 Cb 0.22 0.16 -0.13 0.00 0.50 0.00 0.00 28.75 29.49 3hs0 h GLU 273 CO 0.04 -0.47 0.01 -0.22 -1.00 0.00 0.00 179.01 177.37 3hs0 h LYS 274 N -0.73 0.10 -0.06 2.33 1.63 -1.21 -1.13 116.57 117.50 3hs0 h LYS 274 Ca -0.04 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 3hs0 h LYS 274 Cb 0.65 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.25 3hs0 h LYS 274 CO -0.08 0.07 -0.00 0.28 -3.45 0.00 0.00 179.45 176.27 3hs0 h VAL 275 N 0.10 1.25 -0.77 2.00 2.07 -1.22 -2.94 116.25 116.74 3hs0 h VAL 275 Ca 0.42 -0.77 0.19 0.00 0.82 0.00 0.00 66.70 67.35 3hs0 h VAL 275 Cb 0.74 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 32.13 3hs0 h VAL 275 CO -0.67 0.21 0.53 0.00 0.02 0.00 0.00 177.57 177.66 3hs0 h ALA 276 N 0.71 2.38 0.00 1.67 0.00 -0.28 0.12 119.26 123.87 3hs0 h ALA 276 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hs0 h ALA 276 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hs0 h ALA 276 CO 0.00 -0.61 0.00 -1.13 0.00 0.00 0.00 179.25 177.52 3hs0 n SER 277 N -4.42 0.00 -1.67 0.00 3.41 -0.61 -2.39 113.62 107.94 3hs0 n SER 277 Ca 0.16 -0.49 -0.02 0.00 -0.26 0.00 0.00 58.87 58.25 3hs0 n SER 277 Cb 0.68 -0.09 0.25 0.00 -0.26 0.00 0.00 64.21 64.79 3hs0 n SER 277 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3hs0 n TYR 278 N -1.09 1.82 0.00 7.33 4.01 0.42 -4.94 117.16 124.69 3hs0 n TYR 278 Ca 0.15 -0.86 0.00 0.00 -0.16 0.00 0.00 57.90 57.03 3hs0 n TYR 278 Cb 0.11 -0.53 0.00 0.00 -0.31 0.00 0.00 39.34 38.61 3hs0 n TYR 278 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hs0 n GLY 279 N 0.08 1.38 3.73 2.72 0.00 -1.00 -4.52 105.19 107.58 3hs0 n GLY 279 Ca 0.29 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3hs0 n GLY 279 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hs0 s VAL 280 N -0.12 4.67 -0.44 1.61 -7.23 -1.26 -5.02 120.40 112.60 3hs0 s VAL 280 Ca 0.00 1.87 -0.20 0.00 -1.81 0.00 0.00 61.98 61.84 3hs0 s VAL 280 Cb 0.00 -4.23 0.03 0.00 0.56 0.00 0.00 36.38 32.74 3hs0 s VAL 280 CO 0.00 0.31 0.60 -0.54 -0.31 0.00 0.00 175.10 175.16 3hs0 s LYS 281 N 0.17 3.23 -0.02 4.82 -0.14 -1.26 -4.69 119.74 121.85 3hs0 s LYS 281 Ca 0.44 -0.50 -0.07 0.00 -1.36 0.00 0.00 55.97 54.48 3hs0 s LYS 281 Cb -0.22 -3.97 -0.05 0.00 -1.68 0.00 0.00 37.83 31.92 3hs0 s LYS 281 CO 0.26 -1.01 0.26 -1.25 -0.76 0.00 0.00 175.35 172.85 3hs0 s PRO 282 N 2.68 3.59 -0.19 -1.68 0.05 -1.26 -4.72 135.00 133.47 3hs0 s PRO 282 Ca 0.20 -0.04 -0.29 0.00 0.05 0.00 0.00 61.00 60.92 3hs0 s PRO 282 Cb -0.15 -3.11 -0.02 0.00 0.05 0.00 0.00 34.50 31.27 3hs0 s PRO 282 CO 0.17 0.68 1.44 1.03 0.05 0.00 0.00 177.00 180.37 3hs0 s ARG 283 N -1.56 4.02 0.62 4.56 0.52 -0.02 -3.78 118.95 123.31 3hs0 s ARG 283 Ca 0.25 1.66 -0.02 0.00 -0.52 0.00 0.00 55.73 57.10 3hs0 s ARG 283 Cb -0.13 -3.91 0.05 0.00 0.52 0.00 0.00 34.95 31.48 3hs0 s ARG 283 CO 0.14 -1.00 0.88 0.71 0.02 0.00 0.00 175.30 176.05 3hs0 s TYR 284 N 4.29 2.84 -0.17 -0.53 2.02 -1.26 -1.68 117.35 122.86 3hs0 s TYR 284 Ca 0.63 0.16 -0.14 0.00 -0.37 0.00 0.00 57.07 57.34 3hs0 s TYR 284 Cb -0.23 -2.94 0.05 0.00 -0.40 0.00 0.00 41.96 38.43 3hs0 s TYR 284 CO 0.23 -1.11 0.44 0.20 -1.57 0.00 0.00 175.55 173.74 3hs0 s GLY 285 N -4.47 -0.33 -0.08 0.71 0.00 -0.44 -3.33 107.32 99.38 3hs0 s GLY 285 Ca 0.59 1.29 0.01 0.00 0.00 0.00 0.00 44.72 46.60 3hs0 s GLY 285 CO 0.41 1.16 -0.08 -2.27 0.00 0.00 0.00 173.10 172.33 3hs0 s LEU 286 N 0.41 1.28 -0.04 0.66 2.96 -1.00 -0.61 118.68 122.34 3hs0 s LEU 286 Ca -0.01 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.63 3hs0 s LEU 286 Cb -0.04 -0.72 0.03 0.00 0.50 0.00 0.00 46.19 45.96 3hs0 s LEU 286 CO -0.01 -0.07 0.07 -0.69 -1.32 0.00 0.00 176.35 174.33 3hs0 s VAL 287 N 1.28 -0.12 0.10 1.68 1.01 -0.47 -0.06 120.40 123.82 3hs0 s VAL 287 Ca -0.04 0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.34 3hs0 s VAL 287 Cb -0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 3hs0 s VAL 287 CO -0.03 0.16 0.12 0.42 0.00 0.00 0.00 175.10 175.76 3hs0 s THR 288 N 1.95 4.67 0.22 3.92 -4.23 -1.13 -0.13 115.64 120.91 3hs0 s THR 288 Ca 0.02 -0.77 -0.08 0.00 -1.18 0.00 0.00 61.69 59.67 3hs0 s THR 288 Cb -0.12 -3.29 -0.02 0.00 1.34 0.00 0.00 72.50 70.41 3hs0 s THR 288 CO -0.04 0.07 0.34 -0.72 -0.54 0.00 0.00 174.62 173.73 3hs0 s TYR 289 N -1.49 0.62 0.00 3.99 -0.85 -0.58 -1.57 117.35 117.46 3hs0 s TYR 289 Ca 0.31 -0.93 0.00 0.00 -0.52 0.00 0.00 57.07 55.92 3hs0 s TYR 289 Cb -0.12 -0.09 0.00 0.00 0.38 0.00 0.00 41.96 42.14 3hs0 s TYR 289 CO 0.23 -0.84 0.00 0.00 -1.52 0.00 0.00 175.55 173.43 3hs0 n ALA 290 N -0.32 0.00 -0.31 9.51 0.00 -1.26 0.51 120.51 128.64 3hs0 n ALA 290 Ca -0.01 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.65 3hs0 n ALA 290 Cb 0.63 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.60 3hs0 n ALA 290 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3hs0 h THR 291 N 0.00 0.54 -3.92 0.00 2.02 -1.33 -2.34 112.91 107.88 3hs0 h THR 291 Ca 0.00 -0.13 -0.31 0.00 0.77 0.00 0.00 66.41 66.74 3hs0 h THR 291 Cb 0.00 0.12 -0.20 0.00 -1.74 0.00 0.00 68.15 66.32 3hs0 h THR 291 CO 0.00 0.07 -0.74 -0.31 0.37 0.00 0.00 175.52 174.91 3hs0 s TYR 292 N -5.47 0.86 -0.06 3.16 2.02 -1.26 -4.64 117.35 111.96 3hs0 s TYR 292 Ca -0.09 -0.53 -0.22 0.00 -0.37 0.00 0.00 57.07 55.86 3hs0 s TYR 292 Cb 0.25 -0.50 -0.04 0.00 -0.40 0.00 0.00 41.96 41.27 3hs0 s TYR 292 CO 0.80 -0.04 0.64 -1.25 -1.57 0.00 0.00 175.55 174.12 3hs0 s PRO 293 N -1.90 4.40 -0.16 -1.71 0.05 -1.26 -4.42 135.00 129.99 3hs0 s PRO 293 Ca -0.05 0.77 -0.01 0.00 0.05 0.00 0.00 61.00 61.76 3hs0 s PRO 293 Cb -0.08 -3.42 -0.01 0.00 0.05 0.00 0.00 34.50 31.04 3hs0 s PRO 293 CO 0.00 0.15 -0.10 0.21 0.05 0.00 0.00 177.00 177.31 3hs0 s LYS 294 N 0.53 3.37 0.02 4.56 2.47 -0.61 -5.02 119.74 125.06 3hs0 s LYS 294 Ca 0.34 -0.67 -0.23 0.00 -1.56 0.00 0.00 55.97 53.85 3hs0 s LYS 294 Cb -0.17 -2.76 -0.05 0.00 -1.46 0.00 0.00 37.83 33.38 3hs0 s LYS 294 CO 0.17 0.06 0.70 0.42 0.16 0.00 0.00 175.35 176.85 3hs0 s ILE 295 N 0.77 4.82 -0.15 5.43 1.09 -1.26 -2.86 121.20 129.04 3hs0 s ILE 295 Ca -0.04 1.47 0.06 0.00 -1.10 0.00 0.00 60.65 61.04 3hs0 s ILE 295 Cb -0.15 -4.04 -0.09 0.00 -1.06 0.00 0.00 42.46 37.12 3hs0 s ILE 295 CO 0.01 0.37 0.21 0.79 -0.10 0.00 0.00 174.94 176.22 3hs0 n TRP 296 N 2.86 0.00 -3.64 3.97 7.02 0.92 -5.00 117.44 123.57 3hs0 n TRP 296 Ca -0.04 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.37 3hs0 n TRP 296 Cb 0.51 -0.08 -0.07 0.00 -2.42 0.00 0.00 31.31 29.25 3hs0 n TRP 296 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 3hs0 s VAL 297 N -2.03 0.00 -0.01 -0.99 1.01 -1.19 -4.84 120.40 112.36 3hs0 s VAL 297 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.00 3hs0 s VAL 297 Cb 0.04 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 3hs0 s VAL 297 CO 0.27 0.00 -0.03 -0.54 0.00 0.00 0.00 175.10 174.80 3hs0 s LYS 298 N 1.50 2.70 0.42 2.72 1.02 -1.26 -2.37 119.74 124.47 3hs0 s LYS 298 Ca -0.09 -0.64 0.11 0.00 0.02 0.00 0.00 55.97 55.37 3hs0 s LYS 298 Cb -0.05 -2.60 0.91 0.00 -0.52 0.00 0.00 37.83 35.56 3hs0 s LYS 298 CO -0.18 0.62 1.98 -0.39 -0.92 0.00 0.00 175.35 176.47 3hs0 h VAL 299 N 3.70 1.13 -0.02 3.17 -1.51 -1.86 -2.95 116.25 117.91 3hs0 h VAL 299 Ca -0.49 -0.57 0.01 0.00 -1.23 0.00 0.00 66.70 64.42 3hs0 h VAL 299 Cb 1.17 1.12 -0.00 0.00 -2.13 0.00 0.00 31.29 31.46 3hs0 h VAL 299 CO 0.55 0.18 0.02 0.77 -1.23 0.00 0.00 177.57 177.86 3hs0 h SER 300 N 0.18 0.00 -4.05 4.19 4.64 -1.89 -3.44 113.55 113.18 3hs0 h SER 300 Ca 0.04 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.84 3hs0 h SER 300 Cb 0.26 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.44 3hs0 h SER 300 CO 0.01 0.00 0.50 -1.61 -0.87 0.00 0.00 176.83 174.86 3hs0 s GLU 301 N -4.64 3.35 0.48 4.77 2.02 -1.12 -4.93 118.70 118.63 3hs0 s GLU 301 Ca -0.05 1.86 0.20 0.00 0.02 0.00 0.00 54.97 57.00 3hs0 s GLU 301 Cb 0.15 -2.18 1.19 0.00 0.10 0.00 0.00 34.13 33.38 3hs0 s GLU 301 CO 0.55 -0.91 2.02 0.00 0.02 0.00 0.00 175.26 176.94 3hs0 h ALA 302 N 1.48 1.50 0.08 5.21 0.00 -1.91 -3.34 119.26 122.27 3hs0 h ALA 302 Ca -0.50 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 3hs0 h ALA 302 Cb 1.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3hs0 h ALA 302 CO 0.58 0.21 -0.04 0.38 0.00 0.00 0.00 179.25 180.38 3hs0 h ASP 303 N 0.00 -0.09 0.00 0.00 -0.00 -1.93 -3.44 116.42 110.96 3hs0 h ASP 303 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3hs0 h ASP 303 Cb 0.35 0.02 0.00 0.00 -0.00 0.00 0.00 39.33 39.70 3hs0 h ASP 303 CO 0.02 0.33 0.00 -1.20 -0.00 0.00 0.00 179.24 178.39 3hs0 n SER 304 N -4.46 0.00 0.00 4.15 7.64 -1.26 -2.59 113.62 117.11 3hs0 n SER 304 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 3hs0 n SER 304 Cb 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 3hs0 n SER 304 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3hs0 n SER 305 N 1.12 0.00 -4.58 6.43 7.64 -1.25 -4.45 113.62 118.53 3hs0 n SER 305 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 3hs0 n SER 305 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 3hs0 n SER 305 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3hs0 s ASN 306 N -2.46 6.26 0.52 6.43 3.84 -1.07 -4.78 114.94 123.68 3hs0 s ASN 306 Ca 0.00 0.43 0.23 0.00 0.21 0.00 0.00 52.86 53.73 3hs0 s ASN 306 Cb 0.00 -2.55 1.42 0.00 -0.55 0.00 0.00 41.25 39.57 3hs0 s ASN 306 CO 0.00 -1.57 2.12 0.00 -2.79 0.00 0.00 177.10 174.85 3hs0 h ALA 307 N 10.66 1.57 0.01 1.71 0.00 -1.95 -0.31 119.26 130.96 3hs0 h ALA 307 Ca -0.26 -0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.30 3hs0 h ALA 307 Cb 1.09 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.89 3hs0 h ALA 307 CO 1.15 0.11 -1.06 -0.44 0.00 0.00 0.00 179.25 179.01 3hs0 h ASP 308 N 0.00 0.86 0.51 0.00 3.32 -1.93 0.62 116.42 119.80 3hs0 h ASP 308 Ca -0.00 -0.70 -0.02 0.00 0.02 0.00 0.00 57.03 56.32 3hs0 h ASP 308 Cb 0.18 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 3hs0 h ASP 308 CO 0.01 1.51 -0.29 -0.25 -1.72 0.00 0.00 179.24 178.49 3hs0 h TRP 309 N 0.36 -0.77 -0.36 4.55 2.91 -1.64 -0.27 115.95 120.73 3hs0 h TRP 309 Ca -0.13 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 59.87 3hs0 h TRP 309 Cb 1.71 0.27 -0.02 0.00 -0.51 0.00 0.00 29.16 30.61 3hs0 h TRP 309 CO 0.10 -0.46 0.18 0.28 -1.03 0.00 0.00 178.44 177.51 3hs0 h VAL 310 N -0.76 1.16 -0.31 2.65 2.07 -1.16 -0.49 116.25 119.41 3hs0 h VAL 310 Ca -0.06 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3hs0 h VAL 310 Cb 0.61 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3hs0 h VAL 310 CO 0.08 0.16 0.20 0.74 0.02 0.00 0.00 177.57 178.77 3hs0 h THR 311 N 0.45 1.08 -0.04 2.57 2.02 -0.83 0.91 112.91 119.06 3hs0 h THR 311 Ca 0.13 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 3hs0 h THR 311 Cb 0.09 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 3hs0 h THR 311 CO -0.02 0.07 -0.08 0.11 0.37 0.00 0.00 175.52 175.97 3hs0 h LYS 312 N 0.41 0.13 -0.98 6.66 1.57 -0.50 -1.14 116.57 122.72 3hs0 h LYS 312 Ca 0.11 -0.08 0.14 0.00 -1.87 0.00 0.00 60.65 58.95 3hs0 h LYS 312 Cb -0.04 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.19 3hs0 h LYS 312 CO -0.02 0.67 0.60 1.96 -0.57 0.00 0.00 179.45 182.08 3hs0 h GLN 313 N -0.40 0.87 -0.25 3.15 1.08 -0.59 -2.07 115.11 116.91 3hs0 h GLN 313 Ca 0.00 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.10 3hs0 h GLN 313 Cb 0.66 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 3hs0 h GLN 313 CO 0.02 0.58 -0.02 1.25 -0.95 0.00 0.00 178.83 179.70 3hs0 h LEU 314 N 0.90 0.45 -1.88 1.46 5.85 -0.75 -2.32 115.31 119.02 3hs0 h LEU 314 Ca 0.51 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3hs0 h LEU 314 Cb 0.58 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3hs0 h LEU 314 CO -0.30 0.67 0.00 0.78 -0.34 0.00 0.00 178.44 179.25 3hs0 h ASN 315 N 0.21 0.00 0.49 1.25 2.35 -0.57 -2.73 115.58 116.58 3hs0 h ASN 315 Ca 0.07 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 3hs0 h ASN 315 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3hs0 h ASN 315 CO 0.02 0.00 -0.24 -0.33 -1.65 0.00 0.00 177.43 175.23 3hs0 h GLU 316 N 0.00 -0.64 -6.00 0.81 4.39 -0.81 -3.47 114.58 108.86 3hs0 h GLU 316 Ca 0.00 0.04 -0.77 0.00 0.34 0.00 0.00 59.36 58.97 3hs0 h GLU 316 Cb 0.06 0.14 0.06 0.00 -0.10 0.00 0.00 28.75 28.92 3hs0 h GLU 316 CO 0.00 -0.35 -0.02 -0.89 -1.16 0.00 0.00 179.01 176.59 3hs0 n ILE 317 N -5.23 0.30 -4.32 3.13 5.41 -1.03 -4.99 119.36 112.61 3hs0 n ILE 317 Ca -0.10 -0.07 -0.25 0.00 1.00 0.00 0.00 62.75 63.33 3hs0 n ILE 317 Cb 0.30 -0.01 -0.12 0.00 -0.71 0.00 0.00 39.64 39.09 3hs0 n ILE 317 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3hs0 s ASN 318 N -0.14 2.80 0.59 4.38 3.84 -1.26 -5.03 114.94 120.12 3hs0 s ASN 318 Ca 0.87 -0.73 0.37 0.00 0.21 0.00 0.00 52.86 53.59 3hs0 s ASN 318 Cb -1.22 -0.17 1.81 0.00 -0.55 0.00 0.00 41.25 41.13 3hs0 s ASN 318 CO 0.57 0.09 2.15 0.22 -2.79 0.00 0.00 177.10 177.34 3hs0 h TYR 319 N 3.92 0.00 0.00 0.43 3.20 -1.94 -2.23 116.97 120.35 3hs0 h TYR 319 Ca -0.47 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.40 3hs0 h TYR 319 Cb 1.18 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.45 3hs0 h TYR 319 CO 0.62 0.02 0.00 0.39 -1.64 0.00 0.00 178.16 177.55 3hs0 n GLU 320 N -3.16 0.84 0.10 1.82 -0.58 -1.26 -3.19 120.64 115.21 3hs0 n GLU 320 Ca -0.01 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.86 3hs0 n GLU 320 Cb 0.20 -1.33 0.44 0.00 -0.57 0.00 0.00 31.44 30.19 3hs0 n GLU 320 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3hs0 n ASP 321 N -0.83 0.68 0.00 1.62 8.00 -0.84 -3.71 116.55 121.48 3hs0 n ASP 321 Ca 0.13 0.59 0.00 0.00 0.71 0.00 0.00 54.79 56.22 3hs0 n ASP 321 Cb 0.06 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.40 3hs0 n ASP 321 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3hs0 n HIS 322 N -2.17 0.00 -0.32 1.24 8.25 -1.19 -4.85 115.22 116.19 3hs0 n HIS 322 Ca 0.05 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.70 3hs0 n HIS 322 Cb 0.37 0.00 0.38 0.00 1.12 0.00 0.00 29.99 31.86 3hs0 n HIS 322 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 3hs0 h LYS 323 N 0.00 0.14 0.00 -0.41 3.64 -1.64 -2.46 116.57 115.84 3hs0 h LYS 323 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3hs0 h LYS 323 Cb 0.03 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3hs0 h LYS 323 CO 0.00 0.09 0.00 -0.11 -2.27 0.00 0.00 179.45 177.16 3hs0 n LEU 324 N -5.27 0.00 -4.38 5.20 7.94 -1.26 -4.10 117.00 115.13 3hs0 n LEU 324 Ca 0.27 0.83 -0.46 0.00 -1.11 0.00 0.00 56.01 55.54 3hs0 n LEU 324 Cb 0.87 -0.33 -0.02 0.00 0.53 0.00 0.00 43.42 44.47 3hs0 n LEU 324 CO 0.03 -0.33 0.73 -0.54 -1.11 0.00 0.00 177.39 176.17 3hs0 s LYS 325 N -2.32 3.75 -0.46 1.96 1.02 -0.94 -4.92 119.74 117.83 3hs0 s LYS 325 Ca 0.00 -2.41 0.04 0.00 0.02 0.00 0.00 55.97 53.61 3hs0 s LYS 325 Cb 0.00 -4.64 0.56 0.00 -0.52 0.00 0.00 37.83 33.23 3hs0 s LYS 325 CO 0.00 -1.46 1.79 -1.13 -0.92 0.00 0.00 175.35 173.64 3hs0 n SER 326 N 4.61 4.62 -3.01 2.83 3.41 -1.17 -3.00 113.62 121.91 3hs0 n SER 326 Ca 0.20 -3.71 -0.15 0.00 -0.26 0.00 0.00 58.87 54.95 3hs0 n SER 326 Cb 0.46 -0.79 0.11 0.00 -0.26 0.00 0.00 64.21 63.73 3hs0 n SER 326 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hs0 n GLY 327 N -1.05 -1.79 2.38 5.00 0.00 -1.26 -1.84 105.19 106.63 3hs0 n GLY 327 Ca 0.54 -1.61 -0.26 0.00 0.00 0.00 0.00 46.02 44.68 3hs0 n GLY 327 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hs0 n THR 328 N -3.23 1.16 -2.85 2.61 -1.04 -1.26 -2.12 114.28 107.54 3hs0 n THR 328 Ca 0.08 -4.72 -0.44 0.00 -2.04 0.00 0.00 64.05 56.94 3hs0 n THR 328 Cb 0.30 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 66.77 3hs0 n THR 328 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3hs0 n ASN 329 N 1.21 5.43 0.22 8.00 2.85 -0.88 -2.16 115.26 129.93 3hs0 n ASN 329 Ca 0.26 -3.10 0.07 0.00 -0.11 0.00 0.00 54.58 51.70 3hs0 n ASN 329 Cb 0.45 -1.46 0.58 0.00 1.24 0.00 0.00 39.78 40.59 3hs0 n ASN 329 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 3hs0 h THR 330 N 4.00 1.04 0.21 -0.44 2.02 -1.84 -2.90 112.91 115.01 3hs0 h THR 330 Ca 0.30 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.33 3hs0 h THR 330 Cb 0.76 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 3hs0 h THR 330 CO 1.33 0.05 -0.36 0.50 0.37 0.00 0.00 175.52 177.42 3hs0 h LYS 331 N 0.07 -0.62 -1.00 6.66 3.64 -1.84 -1.70 116.57 121.78 3hs0 h LYS 331 Ca 0.02 0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.62 3hs0 h LYS 331 Cb 0.06 0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 31.93 3hs0 h LYS 331 CO 0.00 -0.41 0.62 0.87 -2.27 0.00 0.00 179.45 178.25 3hs0 h LYS 332 N -0.64 0.76 -0.82 1.90 1.57 -1.86 -1.36 116.57 116.12 3hs0 h LYS 332 Ca 0.01 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3hs0 h LYS 332 Cb 0.63 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 3hs0 h LYS 332 CO -0.15 0.50 0.38 0.00 -0.57 0.00 0.00 179.45 179.61 3hs0 h ALA 333 N 1.62 1.13 0.00 3.86 0.00 -1.31 -1.80 119.26 122.77 3hs0 h ALA 333 Ca 0.56 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 55.13 3hs0 h ALA 333 Cb 0.85 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3hs0 h ALA 333 CO -0.34 0.65 -0.79 -0.07 0.00 0.00 0.00 179.25 178.70 3hs0 h LEU 334 N 1.17 0.00 -1.39 0.00 3.38 -0.60 -3.04 115.31 114.82 3hs0 h LEU 334 Ca 0.28 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.20 3hs0 h LEU 334 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3hs0 h LEU 334 CO -0.03 0.79 -0.10 1.56 0.09 0.00 0.00 178.44 180.75 3hs0 h GLN 335 N 0.00 0.28 -0.64 1.13 4.20 -0.85 -0.53 115.11 118.71 3hs0 h GLN 335 Ca -0.01 -0.06 0.08 0.00 0.06 0.00 0.00 58.65 58.72 3hs0 h GLN 335 Cb 1.49 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 29.17 3hs0 h GLN 335 CO 0.10 0.39 0.30 0.00 -0.67 0.00 0.00 178.83 178.95 3hs0 h ALA 336 N 1.64 0.85 -0.08 3.87 0.00 -1.22 -0.07 119.26 124.25 3hs0 h ALA 336 Ca 0.06 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3hs0 h ALA 336 Cb 0.35 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3hs0 h ALA 336 CO 0.02 -0.10 -0.40 0.28 0.00 0.00 0.00 179.25 179.05 3hs0 h VAL 337 N 0.53 1.30 0.00 0.00 2.07 -1.23 -2.13 116.25 116.79 3hs0 h VAL 337 Ca 0.31 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.37 3hs0 h VAL 337 Cb 0.32 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3hs0 h VAL 337 CO -0.26 0.43 0.00 0.22 0.02 0.00 0.00 177.57 177.98 3hs0 h TYR 338 N 0.15 0.00 -0.03 1.57 3.20 0.07 -2.88 116.97 119.06 3hs0 h TYR 338 Ca 0.01 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.76 3hs0 h TYR 338 Cb 0.77 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.05 3hs0 h TYR 338 CO 0.01 0.00 -0.47 0.77 -1.64 0.00 0.00 178.16 176.83 3hs0 h SER 339 N 0.00 0.46 0.59 -2.11 0.02 -0.37 -3.16 113.55 108.99 3hs0 h SER 339 Ca 0.00 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 60.23 3hs0 h SER 339 Cb 0.53 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3hs0 h SER 339 CO 0.00 1.12 0.00 0.23 -1.14 0.00 0.00 176.83 177.04 3hs0 n MET 340 N -4.31 0.07 -0.06 3.45 2.81 -1.10 -2.89 117.12 115.08 3hs0 n MET 340 Ca -0.10 0.30 -0.14 0.00 -1.81 0.00 0.00 57.70 55.96 3hs0 n MET 340 Cb 0.60 -1.62 -0.14 0.00 -0.71 0.00 0.00 33.22 31.34 3hs0 n MET 340 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 3hs0 n MET 341 N -1.75 0.68 -0.61 0.03 2.00 -1.13 -4.75 117.12 111.59 3hs0 n MET 341 Ca 0.03 0.17 -0.30 0.00 0.00 0.00 0.00 57.70 57.60 3hs0 n MET 341 Cb 0.20 -1.63 0.27 0.00 0.00 0.00 0.00 33.22 32.05 3hs0 n MET 341 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3hs0 s SER 342 N -6.22 -0.28 0.19 7.83 1.04 -1.14 -5.08 113.70 110.04 3hs0 s SER 342 Ca -0.17 0.84 -0.08 0.00 0.48 0.00 0.00 55.95 57.01 3hs0 s SER 342 Cb 0.07 -1.19 -0.01 0.00 0.10 0.00 0.00 66.02 64.99 3hs0 s SER 342 CO 0.76 -4.89 0.31 -1.66 0.98 0.00 0.00 173.24 168.74 3hs0 s TRP 343 N -2.52 0.53 0.00 5.02 -2.14 -1.26 -5.06 118.94 113.51 3hs0 s TRP 343 Ca 0.69 -0.87 0.00 0.00 2.66 0.00 0.00 56.10 58.58 3hs0 s TRP 343 Cb -0.13 -0.08 0.00 0.00 -3.10 0.00 0.00 33.47 30.15 3hs0 s TRP 343 CO 0.58 -0.78 0.21 -2.30 -2.66 0.00 0.00 176.95 172.00 3hs0 n PRO 344 N -0.27 0.00 0.00 3.25 -0.02 -1.26 -5.02 135.00 131.68 3hs0 n PRO 344 Ca -0.04 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3hs0 n PRO 344 Cb 0.63 -0.71 0.00 0.00 -0.02 0.00 0.00 33.50 33.40 3hs0 n PRO 344 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3hs0 n VAL 347 N -0.36 0.00 -2.42 -1.45 0.24 -1.26 -5.13 118.33 107.96 3hs0 n VAL 347 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 3hs0 n VAL 347 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 3hs0 n VAL 347 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 3hs0 s PRO 348 N 0.00 4.51 0.61 7.34 0.02 -1.26 -5.05 135.00 141.16 3hs0 s PRO 348 Ca 0.00 1.81 -0.10 0.00 0.02 0.00 0.00 61.00 62.73 3hs0 s PRO 348 Cb 0.00 -3.27 0.15 0.00 0.02 0.00 0.00 34.50 31.40 3hs0 s PRO 348 CO 0.00 -0.08 0.52 -2.30 -0.33 0.00 0.00 177.00 174.81 3hs0 n PRO 349 N 2.80 -2.18 -3.54 5.54 -0.02 -1.26 -5.02 135.00 131.33 3hs0 n PRO 349 Ca 0.05 -0.83 -0.40 0.00 -2.02 0.00 0.00 63.50 60.29 3hs0 n PRO 349 Cb 0.45 -0.80 -0.11 0.00 -0.02 0.00 0.00 33.50 33.03 3hs0 n PRO 349 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3hs0 s GLU 350 N -4.18 3.44 0.00 -0.52 2.56 -1.26 -4.25 118.70 114.49 3hs0 s GLU 350 Ca 0.34 -0.68 0.00 0.00 0.00 0.00 0.00 54.97 54.63 3hs0 s GLU 350 Cb -0.04 -3.80 0.00 0.00 2.00 0.00 0.00 34.13 32.29 3hs0 s GLU 350 CO 0.26 -0.47 0.00 0.41 -0.56 0.00 0.00 175.26 174.91 3hs0 n GLY 351 N 5.10 1.31 0.07 -1.50 0.00 -1.26 -5.02 105.19 103.89 3hs0 n GLY 351 Ca -0.13 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 3hs0 n GLY 351 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3hs0 h TRP 352 N 0.00 -0.01 0.00 1.61 5.08 -1.98 -3.25 115.95 117.40 3hs0 h TRP 352 Ca 0.00 -0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3hs0 h TRP 352 Cb 0.21 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.37 3hs0 h TRP 352 CO 0.00 0.77 0.00 0.27 -1.28 0.00 0.00 178.44 178.20 3hs0 n ASN 353 N -4.68 2.51 0.00 0.11 6.94 -1.26 -2.32 115.26 116.56 3hs0 n ASN 353 Ca -0.08 -1.80 0.00 0.00 -0.02 0.00 0.00 54.58 52.67 3hs0 n ASN 353 Cb 0.38 -0.45 0.00 0.00 -2.36 0.00 0.00 39.78 37.35 3hs0 n ASN 353 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 3hs0 n ARG 354 N 0.49 -0.05 -3.89 -3.83 0.63 -1.23 -5.06 116.66 103.72 3hs0 n ARG 354 Ca 0.00 -0.14 -0.35 0.00 -0.92 0.00 0.00 57.85 56.44 3hs0 n ARG 354 Cb 0.43 -0.56 -0.10 0.00 0.45 0.00 0.00 32.46 32.68 3hs0 n ARG 354 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3hs0 s THR 355 N -0.02 4.93 -0.07 5.15 2.01 -0.98 -3.64 115.64 123.02 3hs0 s THR 355 Ca 0.00 0.02 -0.23 0.00 0.31 0.00 0.00 61.69 61.79 3hs0 s THR 355 Cb 0.00 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 3hs0 s THR 355 CO 0.00 0.43 0.70 -0.60 -0.69 0.00 0.00 174.62 174.46 3hs0 s ARG 356 N 0.57 4.43 -0.09 4.92 3.52 0.08 -4.93 118.95 127.45 3hs0 s ARG 356 Ca 0.05 0.87 -0.02 0.00 -0.13 0.00 0.00 55.73 56.50 3hs0 s ARG 356 Cb -0.13 -3.45 -0.03 0.00 -1.56 0.00 0.00 34.95 29.78 3hs0 s ARG 356 CO 0.01 0.05 -0.01 -1.01 -0.81 0.00 0.00 175.30 173.52 3hs0 s HIS 357 N 0.85 3.11 -0.16 5.12 3.76 -0.39 -0.87 115.29 126.71 3hs0 s HIS 357 Ca 0.37 0.12 -0.04 0.00 -0.15 0.00 0.00 55.06 55.36 3hs0 s HIS 357 Cb -0.18 -1.79 0.07 0.00 1.11 0.00 0.00 32.58 31.79 3hs0 s HIS 357 CO 0.18 0.40 0.17 0.08 -0.85 0.00 0.00 174.74 174.72 3hs0 s VAL 358 N -0.74 -0.25 -0.21 -0.90 1.01 -0.43 -1.57 120.40 117.30 3hs0 s VAL 358 Ca 0.11 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 3hs0 s VAL 358 Cb -0.11 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 3hs0 s VAL 358 CO 0.02 -0.10 0.13 -0.63 0.00 0.00 0.00 175.10 174.52 3hs0 s ILE 359 N 2.28 5.29 -0.37 2.22 1.01 0.95 -1.26 121.20 131.32 3hs0 s ILE 359 Ca 0.05 0.15 -0.06 0.00 0.00 0.00 0.00 60.65 60.79 3hs0 s ILE 359 Cb -0.15 -3.43 0.07 0.00 0.01 0.00 0.00 42.46 38.96 3hs0 s ILE 359 CO -0.09 0.41 0.16 -0.63 0.00 0.00 0.00 174.94 174.79 3hs0 s ILE 360 N 0.62 3.71 -0.15 2.92 -1.09 -0.06 -0.19 121.20 126.96 3hs0 s ILE 360 Ca 0.07 -1.45 -0.05 0.00 -2.23 0.00 0.00 60.65 57.00 3hs0 s ILE 360 Cb -0.12 -3.25 -0.03 0.00 -1.58 0.00 0.00 42.46 37.47 3hs0 s ILE 360 CO 0.01 -0.38 0.00 -0.22 -1.23 0.00 0.00 174.94 173.11 3hs0 s LEU 361 N 1.33 3.49 -0.68 2.97 2.96 0.45 -0.74 118.68 128.47 3hs0 s LEU 361 Ca 0.01 -0.01 0.05 0.00 -0.22 0.00 0.00 54.13 53.96 3hs0 s LEU 361 Cb -0.21 -1.85 0.18 0.00 0.50 0.00 0.00 46.19 44.80 3hs0 s LEU 361 CO 0.01 0.21 0.50 0.23 -1.32 0.00 0.00 176.35 175.98 3hs0 n MET 362 N 3.29 1.75 -4.35 1.98 2.81 -0.46 -0.82 117.12 121.32 3hs0 n MET 362 Ca -0.17 -4.39 -0.29 0.00 -1.81 0.00 0.00 57.70 51.04 3hs0 n MET 362 Cb 0.53 -2.23 -0.06 0.00 -0.71 0.00 0.00 33.22 30.75 3hs0 n MET 362 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 3hs0 n THR 363 N 1.94 0.00 -0.25 2.03 5.66 -1.20 -2.59 114.28 119.88 3hs0 n THR 363 Ca 0.22 -2.14 0.06 0.00 -3.05 0.00 0.00 64.05 59.13 3hs0 n THR 363 Cb 0.37 0.40 0.15 0.00 -1.55 0.00 0.00 70.33 69.70 3hs0 n THR 363 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3hs0 n ASP 364 N -1.32 2.96 0.00 1.09 5.68 -1.26 -3.37 116.55 120.33 3hs0 n ASP 364 Ca -0.18 -2.10 0.00 0.00 -0.50 0.00 0.00 54.79 52.01 3hs0 n ASP 364 Cb 0.58 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 3hs0 n ASP 364 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hs0 n GLY 365 N 0.35 0.44 2.63 6.12 0.00 -1.26 -1.32 105.19 112.15 3hs0 n GLY 365 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3hs0 n GLY 365 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hs0 n LEU 366 N 0.00 7.45 -4.77 0.99 4.77 -1.26 -4.65 117.00 119.52 3hs0 n LEU 366 Ca 0.00 -4.94 -0.39 0.00 -0.03 0.00 0.00 56.01 50.65 3hs0 n LEU 366 Cb 0.11 -1.21 -0.01 0.00 -2.33 0.00 0.00 43.42 39.98 3hs0 n LEU 366 CO 0.00 1.94 0.91 -1.38 -1.33 0.00 0.00 177.39 177.53 3hs0 s HIS 367 N -3.06 2.99 0.00 -1.77 -3.43 -1.26 -4.85 115.29 103.91 3hs0 s HIS 367 Ca 0.49 1.48 0.00 0.00 -0.80 0.00 0.00 55.06 56.23 3hs0 s HIS 367 Cb 0.27 -3.55 0.00 0.00 -1.43 0.00 0.00 32.58 27.87 3hs0 s HIS 367 CO -0.20 -1.69 0.27 0.27 -2.00 0.00 0.00 174.74 171.40 3hs0 n ASN 368 N 0.26 0.00 -3.92 7.38 0.23 -0.92 -5.04 115.26 113.25 3hs0 n ASN 368 Ca 0.03 -1.00 -0.10 0.00 -0.53 0.00 0.00 54.58 52.98 3hs0 n ASN 368 Cb 0.44 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.04 3hs0 n ASN 368 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 3hs0 s MET 369 N 0.00 0.43 0.00 -3.83 -1.94 -1.20 -4.91 119.30 107.85 3hs0 s MET 369 Ca 0.00 -0.53 0.00 0.00 -1.71 0.00 0.00 55.69 53.45 3hs0 s MET 369 Cb 0.00 0.17 0.00 0.00 2.01 0.00 0.00 34.83 37.01 3hs0 s MET 369 CO 0.00 -0.09 0.00 0.41 -0.01 0.00 0.00 175.02 175.33 3hs0 n GLY 370 N 1.41 3.07 0.00 -0.03 0.00 -1.26 -4.01 105.19 104.37 3hs0 n GLY 370 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3hs0 n GLY 370 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hs0 n GLY 371 N -0.94 -0.31 3.59 -0.02 0.00 -1.26 -4.86 105.19 101.40 3hs0 n GLY 371 Ca 0.00 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 3hs0 n GLY 371 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hs0 s ASP 372 N -4.00 6.59 0.54 1.61 -1.08 -1.26 -4.70 116.67 114.37 3hs0 s ASP 372 Ca 0.00 0.37 0.31 0.00 -0.52 0.00 0.00 52.55 52.71 3hs0 s ASP 372 Cb 0.00 -2.53 1.48 0.00 -1.46 0.00 0.00 42.92 40.41 3hs0 s ASP 372 CO 0.00 -1.22 1.89 -0.65 0.52 0.00 0.00 175.17 175.70 3hs0 h PRO 373 N 9.22 0.00 -0.93 4.34 0.11 -1.92 -2.12 132.00 140.70 3hs0 h PRO 373 Ca -0.23 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.00 3hs0 h PRO 373 Cb 1.06 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.10 3hs0 h PRO 373 CO 1.11 0.00 0.59 0.82 -0.21 0.00 0.00 178.00 180.31 3hs0 h ILE 374 N 0.00 0.89 0.00 4.15 2.04 -1.90 -1.23 117.51 121.46 3hs0 h ILE 374 Ca 0.42 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.99 3hs0 h ILE 374 Cb 1.69 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3hs0 h ILE 374 CO -0.00 0.15 0.00 0.35 0.00 0.00 0.00 178.15 178.65 3hs0 n THR 375 N -4.58 1.35 0.05 -0.27 -2.24 -0.80 -0.84 114.28 106.96 3hs0 n THR 375 Ca 0.17 0.63 -0.21 0.00 -2.27 0.00 0.00 64.05 62.38 3hs0 n THR 375 Cb 0.40 -1.62 -0.14 0.00 -2.10 0.00 0.00 70.33 66.86 3hs0 n THR 375 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3hs0 h VAL 376 N 0.00 0.86 0.35 2.28 2.07 -1.42 -3.02 116.25 117.37 3hs0 h VAL 376 Ca 0.00 -2.51 -0.01 0.00 0.82 0.00 0.00 66.70 65.01 3hs0 h VAL 376 Cb 0.02 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 3hs0 h VAL 376 CO 0.00 0.85 -0.27 0.40 0.02 0.00 0.00 177.57 178.57 3hs0 h ILE 377 N 0.09 0.43 -0.11 4.57 1.08 -1.04 0.27 117.51 122.79 3hs0 h ILE 377 Ca -0.35 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.15 3hs0 h ILE 377 Cb 2.06 0.43 -0.00 0.00 -3.07 0.00 0.00 36.82 36.24 3hs0 h ILE 377 CO 0.14 0.00 0.20 0.44 -0.69 0.00 0.00 178.15 178.24 3hs0 h ASP 378 N -0.63 0.00 -0.03 1.72 3.32 -1.51 0.61 116.42 119.91 3hs0 h ASP 378 Ca -0.03 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 3hs0 h ASP 378 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 3hs0 h ASP 378 CO -0.01 0.00 -0.28 -0.33 -1.72 0.00 0.00 179.24 176.90 3hs0 h GLU 379 N 0.00 0.25 -0.60 3.56 5.08 -1.06 -3.16 114.58 118.64 3hs0 h GLU 379 Ca 0.05 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 3hs0 h GLU 379 Cb 0.44 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 3hs0 h GLU 379 CO -0.00 0.90 0.22 0.82 -1.00 0.00 0.00 179.01 179.95 3hs0 h ILE 380 N -0.33 1.23 -0.94 3.13 2.04 0.23 -2.60 117.51 120.28 3hs0 h ILE 380 Ca -0.03 -0.75 0.08 0.00 1.00 0.00 0.00 64.86 65.16 3hs0 h ILE 380 Cb 0.98 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 37.59 3hs0 h ILE 380 CO 0.06 0.29 0.61 0.03 0.00 0.00 0.00 178.15 179.13 3hs0 h ARG 381 N 0.84 0.99 0.00 2.37 3.08 -0.01 -0.13 114.38 121.52 3hs0 h ARG 381 Ca 0.20 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3hs0 h ARG 381 Cb 0.23 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3hs0 h ARG 381 CO -0.01 0.66 -0.05 -0.44 -1.07 0.00 0.00 179.97 179.05 3hs0 h ASP 382 N 1.02 0.00 1.23 7.04 5.19 -1.49 0.20 116.42 129.61 3hs0 h ASP 382 Ca 0.42 -0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.69 3hs0 h ASP 382 Cb 0.28 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 3hs0 h ASP 382 CO -0.17 0.00 -0.65 0.25 -3.12 0.00 0.00 179.24 175.55 3hs0 h LEU 383 N 0.00 0.00 -2.64 1.55 5.85 -0.68 -3.24 115.31 116.15 3hs0 h LEU 383 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hs0 h LEU 383 Cb 0.96 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.99 3hs0 h LEU 383 CO 0.00 0.65 0.00 0.18 -0.34 0.00 0.00 178.44 178.93 3hs0 n LEU 384 N -3.32 3.42 -3.59 2.25 4.77 -0.53 -4.96 117.00 115.03 3hs0 n LEU 384 Ca 0.01 -1.85 -0.22 0.00 -0.03 0.00 0.00 56.01 53.92 3hs0 n LEU 384 Cb 0.77 -0.33 0.07 0.00 -2.33 0.00 0.00 43.42 41.60 3hs0 n LEU 384 CO 0.42 0.83 0.15 0.00 -1.33 0.00 0.00 177.39 177.45 3hs0 n TYR 385 N 1.19 -2.47 -3.64 -1.77 9.36 -0.98 -4.97 117.16 113.89 3hs0 n TYR 385 Ca 0.18 0.96 -0.36 0.00 3.32 0.00 0.00 57.90 62.00 3hs0 n TYR 385 Cb 0.54 -4.86 -0.08 0.00 -0.63 0.00 0.00 39.34 34.31 3hs0 n TYR 385 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3hs0 s ILE 386 N -3.37 5.36 -1.00 2.97 1.01 0.67 -4.24 121.20 122.59 3hs0 s ILE 386 Ca 0.33 0.33 -0.06 0.00 0.00 0.00 0.00 60.65 61.25 3hs0 s ILE 386 Cb -0.15 -3.54 0.01 0.00 0.01 0.00 0.00 42.46 38.79 3hs0 s ILE 386 CO 0.75 0.39 0.87 0.61 0.00 0.00 0.00 174.94 177.57 3hs0 n GLY 387 N 3.65 -0.17 0.62 6.18 0.00 -0.73 -4.66 105.19 110.07 3hs0 n GLY 387 Ca -0.14 0.01 0.06 0.00 0.00 0.00 0.00 46.02 45.95 3hs0 n GLY 387 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hs0 n LYS 388 N -3.81 0.89 -3.61 1.61 5.02 -1.26 -5.02 118.16 111.99 3hs0 n LYS 388 Ca -0.03 -2.43 -0.03 0.00 -2.02 0.00 0.00 58.31 53.81 3hs0 n LYS 388 Cb 0.56 -1.05 -0.06 0.00 -0.02 0.00 0.00 35.03 34.46 3hs0 n LYS 388 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3hs0 s ASP 389 N -2.49 -0.77 0.00 4.39 2.15 -1.25 -5.02 116.67 113.68 3hs0 s ASP 389 Ca 0.29 1.17 0.30 0.00 0.43 0.00 0.00 52.55 54.74 3hs0 s ASP 389 Cb 0.28 1.52 1.73 0.00 -0.30 0.00 0.00 42.92 46.16 3hs0 s ASP 389 CO -0.05 -0.18 2.10 0.54 -0.17 0.00 0.00 175.17 177.41 3hs0 n ARG 390 N 4.39 0.85 0.00 4.34 1.74 -1.26 -2.50 116.66 124.22 3hs0 n ARG 390 Ca -0.17 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 56.98 3hs0 n ARG 390 Cb 0.56 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.43 3hs0 n ARG 390 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3hs0 n LYS 391 N -1.05 2.68 -3.52 5.56 4.81 -1.26 -4.92 118.16 120.46 3hs0 n LYS 391 Ca 0.21 -0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.59 3hs0 n LYS 391 Cb 0.12 -1.12 -0.07 0.00 0.02 0.00 0.00 35.03 33.99 3hs0 n LYS 391 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 3hs0 s ASN 392 N -2.23 -0.46 -0.08 3.14 3.84 -1.04 -5.06 114.94 113.06 3hs0 s ASN 392 Ca 0.05 0.92 -0.23 0.00 0.21 0.00 0.00 52.86 53.80 3hs0 s ASN 392 Cb 0.10 1.58 -0.19 0.00 -0.55 0.00 0.00 41.25 42.19 3hs0 s ASN 392 CO 0.53 -0.25 0.87 -0.65 -2.79 0.00 0.00 177.10 174.81 3hs0 h PRO 393 N 8.12 -0.08 -0.82 0.43 0.11 -1.92 -3.32 132.00 134.52 3hs0 h PRO 393 Ca -0.18 0.01 -0.31 0.00 0.11 0.00 0.00 66.00 65.62 3hs0 h PRO 393 Cb 1.12 0.02 -0.12 0.00 0.11 0.00 0.00 31.00 32.13 3hs0 h PRO 393 CO 0.17 0.51 -0.29 0.54 -0.21 0.00 0.00 178.00 178.72 3hs0 n ARG 394 N -4.80 -1.08 0.25 1.05 1.74 -1.26 -1.78 116.66 110.78 3hs0 n ARG 394 Ca -0.08 1.02 0.13 0.00 -0.77 0.00 0.00 57.85 58.15 3hs0 n ARG 394 Cb 0.31 -5.18 0.63 0.00 -1.02 0.00 0.00 32.46 27.19 3hs0 n ARG 394 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3hs0 h GLU 395 N 0.00 0.00 0.00 5.56 4.39 -1.93 -2.60 114.58 120.00 3hs0 h GLU 395 Ca -0.32 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.34 3hs0 h GLU 395 Cb 1.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 3hs0 h GLU 395 CO 0.46 0.15 -0.22 -0.44 -1.16 0.00 0.00 179.01 177.79 3hs0 h ASP 396 N 0.00 0.00 -0.07 1.42 3.32 -2.01 -3.15 116.42 115.93 3hs0 h ASP 396 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hs0 h ASP 396 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3hs0 h ASP 396 CO 0.02 0.22 0.00 -1.22 -1.72 0.00 0.00 179.24 176.54 3hs0 n TYR 397 N -3.50 0.09 -3.71 4.55 4.01 -0.98 -4.67 117.16 112.95 3hs0 n TYR 397 Ca -0.01 -0.04 -0.14 0.00 -0.16 0.00 0.00 57.90 57.55 3hs0 n TYR 397 Cb 0.39 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.27 3hs0 n TYR 397 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3hs0 s LEU 398 N -1.56 0.35 -0.07 7.72 2.96 -1.19 -1.26 118.68 125.63 3hs0 s LEU 398 Ca 0.29 0.37 0.02 0.00 -0.22 0.00 0.00 54.13 54.59 3hs0 s LEU 398 Cb 0.14 0.43 0.01 0.00 0.50 0.00 0.00 46.19 47.28 3hs0 s LEU 398 CO 0.23 -0.19 -0.12 -1.81 -1.32 0.00 0.00 176.35 173.14 3hs0 s ASP 399 N 1.61 1.87 -0.22 3.68 -0.00 -0.61 -4.98 116.67 118.02 3hs0 s ASP 399 Ca -0.05 -0.31 -0.00 0.00 -0.00 0.00 0.00 52.55 52.19 3hs0 s ASP 399 Cb -0.12 -0.84 0.02 0.00 -0.00 0.00 0.00 42.92 41.99 3hs0 s ASP 399 CO -0.07 0.01 -0.12 -0.69 -0.00 0.00 0.00 175.17 174.30 3hs0 s VAL 400 N 0.83 2.49 -0.10 -1.27 1.01 -1.26 -0.03 120.40 122.06 3hs0 s VAL 400 Ca -0.11 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 60.83 3hs0 s VAL 400 Cb -0.15 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 3hs0 s VAL 400 CO 0.02 0.33 -0.04 -0.31 0.00 0.00 0.00 175.10 175.10 3hs0 s TYR 401 N 1.29 3.04 -0.10 5.22 2.02 0.74 -1.65 117.35 127.91 3hs0 s TYR 401 Ca 0.01 -0.04 0.02 0.00 -0.37 0.00 0.00 57.07 56.70 3hs0 s TYR 401 Cb -0.15 -1.82 0.01 0.00 -0.40 0.00 0.00 41.96 39.60 3hs0 s TYR 401 CO -0.08 0.24 -0.15 0.08 -1.57 0.00 0.00 175.55 174.08 3hs0 s VAL 402 N -0.41 1.45 -0.21 0.71 1.01 -0.74 -0.42 120.40 121.79 3hs0 s VAL 402 Ca 0.07 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 3hs0 s VAL 402 Cb -0.12 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 3hs0 s VAL 402 CO 0.02 0.43 -0.02 -0.36 0.00 0.00 0.00 175.10 175.17 3hs0 s PHE 403 N 0.92 2.99 -0.22 5.22 0.08 -0.00 -1.38 117.98 125.58 3hs0 s PHE 403 Ca -0.08 -0.69 -0.18 0.00 0.12 0.00 0.00 56.93 56.10 3hs0 s PHE 403 Cb -0.15 -2.09 -0.03 0.00 -0.57 0.00 0.00 43.02 40.18 3hs0 s PHE 403 CO -0.00 -0.39 0.51 0.20 -0.10 0.00 0.00 175.22 175.44 3hs0 s GLY 404 N 1.21 2.00 0.15 4.36 0.00 0.16 -3.20 107.32 112.01 3hs0 s GLY 404 Ca 0.03 -0.47 -0.17 0.00 0.00 0.00 0.00 44.72 44.11 3hs0 s GLY 404 CO -0.00 1.11 1.70 -0.24 0.00 0.00 0.00 173.10 175.67 3hs0 h VAL 405 N 5.20 0.73 0.00 1.40 3.04 -1.87 -3.21 116.25 121.54 3hs0 h VAL 405 Ca -0.32 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 3hs0 h VAL 405 Cb 1.15 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 31.09 3hs0 h VAL 405 CO 0.73 0.01 0.00 0.61 -1.01 0.00 0.00 177.57 177.91 3hs0 n GLY 406 N -1.25 3.23 0.00 3.17 0.00 -1.26 -3.98 105.19 105.10 3hs0 n GLY 406 Ca 0.01 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.05 3hs0 n GLY 406 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hs0 n PRO 407 N -1.13 0.00 -0.33 1.61 -0.02 -1.26 -3.52 135.00 130.36 3hs0 n PRO 407 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3hs0 n PRO 407 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3hs0 n PRO 407 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3hs0 n LEU 408 N 0.00 0.00 -4.74 2.45 4.32 -1.26 -5.08 117.00 112.70 3hs0 n LEU 408 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.58 3hs0 n LEU 408 Cb 0.00 -0.16 -0.05 0.00 -1.62 0.00 0.00 43.42 41.59 3hs0 n LEU 408 CO 0.00 0.00 0.70 -0.69 -1.22 0.00 0.00 177.39 176.18 3hs0 s VAL 409 N -2.00 4.23 -0.76 4.08 1.01 -1.23 -4.87 120.40 120.87 3hs0 s VAL 409 Ca 0.00 1.95 -0.19 0.00 0.00 0.00 0.00 61.98 63.74 3hs0 s VAL 409 Cb 0.00 -4.24 0.12 0.00 0.00 0.00 0.00 36.38 32.26 3hs0 s VAL 409 CO 0.00 0.34 0.92 0.21 0.00 0.00 0.00 175.10 176.57 3hs0 s ASN 410 N -0.28 6.42 0.58 3.32 3.84 -0.43 -4.89 114.94 123.49 3hs0 s ASN 410 Ca 0.46 -1.75 0.36 0.00 0.21 0.00 0.00 52.86 52.14 3hs0 s ASN 410 Cb -0.26 -2.35 1.59 0.00 -0.55 0.00 0.00 41.25 39.68 3hs0 s ASN 410 CO 0.32 -1.08 2.07 1.56 -2.79 0.00 0.00 177.10 177.17 3hs0 h GLN 411 N 8.94 0.00 -0.24 0.43 4.20 -1.94 -1.21 115.11 125.29 3hs0 h GLN 411 Ca -0.07 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.51 3hs0 h GLN 411 Cb 1.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 3hs0 h GLN 411 CO 1.07 0.00 -0.39 0.28 -0.67 0.00 0.00 178.83 179.12 3hs0 h VAL 412 N 0.00 1.30 0.18 -0.54 2.07 -1.90 -2.91 116.25 114.45 3hs0 h VAL 412 Ca -0.00 -1.54 -0.34 0.00 0.82 0.00 0.00 66.70 65.63 3hs0 h VAL 412 Cb 0.41 1.53 0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3hs0 h VAL 412 CO 0.00 0.49 -1.69 0.78 0.02 0.00 0.00 177.57 177.16 3hs0 h ASN 413 N 0.46 0.60 1.03 0.57 2.35 -1.53 -2.89 115.58 116.17 3hs0 h ASN 413 Ca 0.04 -0.86 0.00 0.00 -0.55 0.00 0.00 56.30 54.94 3hs0 h ASN 413 Cb 0.88 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.06 3hs0 h ASN 413 CO 0.08 1.72 0.00 2.30 -1.65 0.00 0.00 177.43 179.87 3hs0 n ILE 414 N -3.57 0.69 0.08 2.81 -5.35 -0.85 -3.18 119.36 109.99 3hs0 n ILE 414 Ca -0.23 0.01 -0.23 0.00 -0.27 0.00 0.00 62.75 62.04 3hs0 n ILE 414 Cb 1.07 -0.88 -0.15 0.00 -1.74 0.00 0.00 39.64 37.94 3hs0 n ILE 414 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 3hs0 h ASN 415 N 0.00 0.64 0.56 7.28 -1.24 -1.56 -3.16 115.58 118.11 3hs0 h ASN 415 Ca 0.00 -0.94 0.00 0.00 0.71 0.00 0.00 56.30 56.07 3hs0 h ASN 415 Cb 0.51 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.35 3hs0 h ASN 415 CO 0.00 1.78 0.00 0.00 -1.29 0.00 0.00 177.43 177.92 3hs0 n ALA 416 N -2.85 1.66 -0.05 1.57 0.00 -1.09 -2.68 120.51 117.06 3hs0 n ALA 416 Ca -0.24 -0.01 -0.20 0.00 0.00 0.00 0.00 53.44 52.99 3hs0 n ALA 416 Cb 1.07 -1.28 -0.13 0.00 0.00 0.00 0.00 19.45 19.11 3hs0 n ALA 416 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hs0 n LEU 417 N -1.73 2.77 -4.74 0.00 4.77 -1.21 -4.90 117.00 111.96 3hs0 n LEU 417 Ca 0.03 0.07 -0.35 0.00 -0.03 0.00 0.00 56.01 55.72 3hs0 n LEU 417 Cb 0.19 -1.03 0.06 0.00 -2.33 0.00 0.00 43.42 40.31 3hs0 n LEU 417 CO 0.15 0.89 0.84 0.00 -1.33 0.00 0.00 177.39 177.93 3hs0 s ALA 418 N -2.54 2.35 0.50 -1.18 0.00 -1.09 -4.85 121.76 114.95 3hs0 s ALA 418 Ca -0.28 0.99 -0.21 0.00 0.00 0.00 0.00 51.96 52.46 3hs0 s ALA 418 Cb 0.08 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.65 3hs0 s ALA 418 CO 0.70 -1.52 1.14 -1.12 0.00 0.00 0.00 175.76 174.96 3hs0 s SER 419 N -1.75 5.99 -0.59 0.00 0.01 -0.66 -4.97 113.70 111.74 3hs0 s SER 419 Ca 0.77 2.23 -0.04 0.00 1.31 0.00 0.00 55.95 60.22 3hs0 s SER 419 Cb -0.31 -2.59 0.15 0.00 0.21 0.00 0.00 66.02 63.48 3hs0 s SER 419 CO 0.39 -1.04 0.42 -0.54 0.41 0.00 0.00 173.24 172.88 3hs0 s LYS 420 N -2.97 2.54 -0.11 12.44 -0.14 -1.26 -4.47 119.74 125.77 3hs0 s LYS 420 Ca 0.68 -2.32 0.01 0.00 -1.36 0.00 0.00 55.97 52.98 3hs0 s LYS 420 Cb -0.26 -3.78 -0.02 0.00 -1.68 0.00 0.00 37.83 32.09 3hs0 s LYS 420 CO 0.31 -1.17 -0.14 0.15 -0.76 0.00 0.00 175.35 173.74 3hs0 s LYS 421 N 0.31 3.15 0.12 1.68 1.02 -1.26 -4.03 119.74 120.73 3hs0 s LYS 421 Ca 0.14 -0.70 -0.35 0.00 0.02 0.00 0.00 55.97 55.08 3hs0 s LYS 421 Cb -0.20 -2.55 -0.17 0.00 -0.52 0.00 0.00 37.83 34.39 3hs0 s LYS 421 CO -0.04 0.31 1.16 -3.47 -0.92 0.00 0.00 175.35 172.39 3hs0 n ASP 422 N 3.23 1.03 -0.31 2.83 -0.08 -0.59 -1.85 116.55 120.81 3hs0 n ASP 422 Ca -0.18 1.14 -0.04 0.00 -1.51 0.00 0.00 54.79 54.20 3hs0 n ASP 422 Cb 0.53 -1.14 -0.02 0.00 2.34 0.00 0.00 41.12 42.83 3hs0 n ASP 422 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 3hs0 n ASN 423 N 2.08 -5.10 -4.14 1.67 5.15 -1.26 -4.96 115.26 108.70 3hs0 n ASN 423 Ca 0.17 0.10 -0.15 0.00 -0.60 0.00 0.00 54.58 54.10 3hs0 n ASN 423 Cb 0.20 -2.96 -0.11 0.00 -0.53 0.00 0.00 39.78 36.38 3hs0 n ASN 423 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3hs0 s GLU 424 N -1.95 0.75 -0.16 1.20 2.02 -0.77 -5.05 118.70 114.74 3hs0 s GLU 424 Ca 0.00 -0.97 -0.00 0.00 0.02 0.00 0.00 54.97 54.02 3hs0 s GLU 424 Cb 0.00 -0.57 -0.00 0.00 0.10 0.00 0.00 34.13 33.66 3hs0 s GLU 424 CO 0.00 0.11 -0.14 -1.14 0.02 0.00 0.00 175.26 174.10 3hs0 s GLN 425 N -2.08 3.23 0.00 1.61 0.74 -1.26 -4.46 119.66 117.44 3hs0 s GLN 425 Ca -0.02 -0.74 0.06 0.00 0.05 0.00 0.00 55.36 54.71 3hs0 s GLN 425 Cb -0.07 -2.65 0.03 0.00 1.10 0.00 0.00 33.01 31.42 3hs0 s GLN 425 CO 0.01 0.00 0.63 0.72 -0.55 0.00 0.00 175.29 176.11 3hs0 n HIS 426 N 4.10 0.00 -4.69 1.67 8.25 -1.26 -4.68 115.22 118.61 3hs0 n HIS 426 Ca -0.19 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.02 3hs0 n HIS 426 Cb 0.52 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.47 3hs0 n HIS 426 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3hs0 s VAL 427 N -0.62 1.24 0.02 1.59 0.11 -1.26 -1.79 120.40 119.69 3hs0 s VAL 427 Ca 0.06 -0.59 0.01 0.00 -2.93 0.00 0.00 61.98 58.54 3hs0 s VAL 427 Cb 0.05 -1.09 -0.01 0.00 -1.53 0.00 0.00 36.38 33.80 3hs0 s VAL 427 CO 0.09 0.37 -0.05 -0.36 -3.33 0.00 0.00 175.10 171.81 3hs0 s PHE 428 N 0.24 0.48 -0.05 1.54 0.08 -0.48 -5.01 117.98 114.78 3hs0 s PHE 428 Ca -0.07 -0.30 -0.02 0.00 0.12 0.00 0.00 56.93 56.66 3hs0 s PHE 428 Cb -0.12 -0.30 0.04 0.00 -0.57 0.00 0.00 43.02 42.07 3hs0 s PHE 428 CO 0.02 -0.06 0.10 0.21 -0.10 0.00 0.00 175.22 175.39 3hs0 s LYS 429 N -0.87 0.00 0.17 0.44 2.20 -1.26 0.39 119.74 120.81 3hs0 s LYS 429 Ca -0.05 0.37 0.09 0.00 -0.36 0.00 0.00 55.97 56.02 3hs0 s LYS 429 Cb -0.06 -0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 35.92 3hs0 s LYS 429 CO -0.00 -0.24 -0.20 0.14 -0.36 0.00 0.00 175.35 174.69 3hs0 s VAL 430 N 1.63 1.94 0.11 4.02 -7.23 -1.21 -1.35 120.40 118.32 3hs0 s VAL 430 Ca -0.03 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 57.93 3hs0 s VAL 430 Cb -0.12 -1.88 -0.11 0.00 0.56 0.00 0.00 36.38 34.83 3hs0 s VAL 430 CO -0.04 -0.24 1.49 0.50 -0.31 0.00 0.00 175.10 176.50 3hs0 h LYS 431 N 3.32 -0.43 -4.56 4.82 3.64 -1.87 -3.36 116.57 118.13 3hs0 h LYS 431 Ca -0.44 0.03 -0.27 0.00 -1.27 0.00 0.00 60.65 58.70 3hs0 h LYS 431 Cb 1.20 0.10 -0.14 0.00 -0.41 0.00 0.00 32.23 32.98 3hs0 h LYS 431 CO 0.49 -0.29 -0.54 0.16 -2.27 0.00 0.00 179.45 177.00 3hs0 s ASP 432 N -4.69 0.44 0.60 4.20 -4.77 -1.26 -4.12 116.67 107.06 3hs0 s ASP 432 Ca -0.13 -1.43 0.33 0.00 -3.30 0.00 0.00 52.55 48.02 3hs0 s ASP 432 Cb 0.07 0.44 1.91 0.00 -1.09 0.00 0.00 42.92 44.24 3hs0 s ASP 432 CO 0.54 -0.92 2.25 -0.03 0.70 0.00 0.00 175.17 177.72 3hs0 h MET 433 N 2.49 0.00 0.60 2.11 1.85 -1.87 -1.58 114.93 118.52 3hs0 h MET 433 Ca -0.33 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 58.74 3hs0 h MET 433 Cb 1.25 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.27 3hs0 h MET 433 CO 0.48 0.02 -0.38 1.49 -0.40 0.00 0.00 176.91 178.12 3hs0 h GLU 434 N 0.00 -0.90 -0.16 0.39 4.81 -1.95 -2.88 114.58 113.89 3hs0 h GLU 434 Ca -0.00 0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 3hs0 h GLU 434 Cb 0.06 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3hs0 h GLU 434 CO 0.00 -0.60 0.14 -0.91 -0.73 0.00 0.00 179.01 176.91 3hs0 h ASN 435 N -0.93 0.00 0.02 1.04 2.35 -1.70 -1.95 115.58 114.41 3hs0 h ASN 435 Ca -0.07 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.50 3hs0 h ASN 435 Cb 0.76 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.13 3hs0 h ASN 435 CO 0.06 0.00 -0.62 0.25 -1.65 0.00 0.00 177.43 175.48 3hs0 h LEU 436 N 0.00 0.67 -0.09 1.61 5.85 -1.35 -2.49 115.31 119.51 3hs0 h LEU 436 Ca 0.08 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 3hs0 h LEU 436 Cb 0.35 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 3hs0 h LEU 436 CO -0.00 1.12 0.05 -0.33 -0.34 0.00 0.00 178.44 178.95 3hs0 h GLU 437 N 0.44 0.12 -1.22 1.25 5.08 -1.16 -2.46 114.58 116.63 3hs0 h GLU 437 Ca -0.01 -0.01 0.35 0.00 -1.00 0.00 0.00 59.36 58.70 3hs0 h GLU 437 Cb 1.19 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.32 3hs0 h GLU 437 CO 0.12 0.11 0.82 -0.44 -1.00 0.00 0.00 179.01 178.62 3hs0 h ASP 438 N 0.09 0.24 0.52 1.42 5.19 -1.13 0.53 116.42 123.29 3hs0 h ASP 438 Ca 0.03 0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.49 3hs0 h ASP 438 Cb 0.02 0.04 0.01 0.00 0.18 0.00 0.00 39.33 39.57 3hs0 h ASP 438 CO -0.01 -0.02 -0.25 0.58 -3.12 0.00 0.00 179.24 176.43 3hs0 h VAL 439 N 0.18 0.00 0.00 -1.35 2.07 -1.00 -1.86 116.25 114.29 3hs0 h VAL 439 Ca 0.67 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 68.14 3hs0 h VAL 439 Cb 2.16 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 3hs0 h VAL 439 CO -0.24 0.00 -0.17 -0.26 0.02 0.00 0.00 177.57 176.92 3hs0 h PHE 440 N -0.72 0.00 -0.06 1.57 0.04 -1.30 -0.75 116.94 115.73 3hs0 h PHE 440 Ca -0.07 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.61 3hs0 h PHE 440 Cb 0.54 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 3hs0 h PHE 440 CO 0.10 0.17 -0.37 1.88 -0.60 0.00 0.00 178.31 179.49 3hs0 h TYR 441 N 0.00 0.13 0.00 -0.55 0.05 -0.92 -2.97 116.97 112.71 3hs0 h TYR 441 Ca -0.00 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.75 3hs0 h TYR 441 Cb 0.42 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.13 3hs0 h TYR 441 CO 0.00 0.48 -0.39 0.37 -1.05 0.00 0.00 178.16 177.57 3hs0 h GLN 442 N 0.10 0.00 -0.04 4.88 4.15 -0.27 -3.29 115.11 120.64 3hs0 h GLN 442 Ca 0.01 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 3hs0 h GLN 442 Cb 0.71 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.40 3hs0 h GLN 442 CO 0.05 0.00 -0.02 0.52 -1.93 0.00 0.00 178.83 177.45 3hs0 h MET 443 N 0.00 0.08 0.00 1.69 2.86 -1.28 -2.62 114.93 115.67 3hs0 h MET 443 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3hs0 h MET 443 Cb 0.94 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.60 3hs0 h MET 443 CO 0.00 0.48 0.00 -0.89 1.06 0.00 0.00 176.91 177.56 3hs0 n ILE 444 N -4.82 0.00 -0.08 -1.22 5.41 -1.18 -2.40 119.36 115.06 3hs0 n ILE 444 Ca -0.08 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.56 3hs0 n ILE 444 Cb 0.24 -0.85 -0.09 0.00 -0.71 0.00 0.00 39.64 38.23 3hs0 n ILE 444 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3hs0 n ASP 445 N -0.93 2.41 0.02 4.38 9.92 -1.01 -4.29 116.55 127.05 3hs0 n ASP 445 Ca 0.03 -0.08 -0.07 0.00 -0.53 0.00 0.00 54.79 54.14 3hs0 n ASP 445 Cb 0.01 -0.06 -0.05 0.00 -0.64 0.00 0.00 41.12 40.39 3hs0 n ASP 445 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 3hs0 h GLU 446 N 0.00 -0.28 0.00 -1.24 4.81 -1.16 -1.83 114.58 114.88 3hs0 h GLU 446 Ca -0.39 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 3hs0 h GLU 446 Cb 1.66 0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.11 3hs0 h GLU 446 CO -0.05 -0.19 0.00 0.45 -0.73 0.00 0.00 179.01 178.50 3hs0 n SER 447 N -3.86 0.00 0.00 1.04 2.88 -1.03 -4.66 113.62 107.99 3hs0 n SER 447 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 3hs0 n SER 447 Cb 0.18 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 3hs0 n SER 447 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 3hs0 n GLN 448 N -0.10 0.00 0.00 -1.46 7.27 -0.69 -5.09 117.38 117.31 3hs0 n GLN 448 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3hs0 n GLN 448 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 3hs0 n GLN 448 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 3hs0 n SER 449 N 0.00 0.00 -0.06 1.69 2.88 -1.26 -4.93 113.62 111.94 3hs0 n SER 449 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 3hs0 n SER 449 Cb 0.00 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 63.57 3hs0 n SER 449 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3hs0 n LEU 450 N 0.00 0.00 0.00 2.46 4.77 -1.26 0.19 117.00 123.16 3hs0 n LEU 450 Ca 0.00 0.19 0.02 0.00 -0.03 0.00 0.00 56.01 56.18 3hs0 n LEU 450 Cb 0.00 -0.06 0.09 0.00 -2.33 0.00 0.00 43.42 41.11 3hs0 n LEU 450 CO 0.00 -0.19 0.43 -1.54 -1.33 0.00 0.00 177.39 174.77 3hs0 n SER 451 N -1.78 0.00 -4.68 -1.43 3.41 -1.26 -4.65 113.62 103.23 3hs0 n SER 451 Ca 0.06 0.16 -0.42 0.00 -0.26 0.00 0.00 58.87 58.40 3hs0 n SER 451 Cb 0.38 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 3hs0 n SER 451 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3hs0 s LEU 452 N -2.44 4.34 0.35 1.04 2.96 0.50 -4.75 118.68 120.68 3hs0 s LEU 452 Ca 0.04 2.30 -0.28 0.00 -0.22 0.00 0.00 54.13 55.97 3hs0 s LEU 452 Cb 0.02 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 43.07 3hs0 s LEU 452 CO 0.05 -0.86 1.25 0.00 -1.32 0.00 0.00 176.35 175.47 3hs0 n GLY 454 N 0.80 -0.82 2.91 0.00 0.00 -0.19 -4.59 105.19 103.30 3hs0 n GLY 454 Ca 0.01 0.38 -0.28 0.00 0.00 0.00 0.00 46.02 46.14 3hs0 n GLY 454 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hs0 s MET 455 N -6.12 1.56 -0.22 1.61 0.00 -1.25 -2.23 119.30 112.65 3hs0 s MET 455 Ca 0.37 -0.46 -0.01 0.00 0.00 0.00 0.00 55.69 55.60 3hs0 s MET 455 Cb -0.14 -1.91 0.06 0.00 0.00 0.00 0.00 34.83 32.84 3hs0 s MET 455 CO 0.87 -0.37 -0.02 0.08 0.00 0.00 0.00 175.02 175.58 3hs0 s VAL 456 N 1.63 1.17 -0.17 10.11 1.01 -1.26 -4.99 120.40 127.90 3hs0 s VAL 456 Ca 0.02 -0.97 -0.25 0.00 0.00 0.00 0.00 61.98 60.78 3hs0 s VAL 456 Cb -0.14 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 3hs0 s VAL 456 CO -0.08 -0.12 0.82 0.86 0.00 0.00 0.00 175.10 176.57 3hs0 s TRP 457 N 1.56 3.42 -1.15 5.22 -0.11 -1.26 -4.97 118.94 121.65 3hs0 s TRP 457 Ca -0.04 1.23 -0.21 0.00 1.22 0.00 0.00 56.10 58.30 3hs0 s TRP 457 Cb -0.18 -3.00 0.01 0.00 -1.50 0.00 0.00 33.47 28.80 3hs0 s TRP 457 CO -0.07 -0.24 1.74 -1.21 -4.62 0.00 0.00 176.95 172.55 3hs0 s GLU 458 N 2.15 3.37 0.16 5.86 0.41 -1.26 -4.95 118.70 124.43 3hs0 s GLU 458 Ca 0.38 -1.36 -0.30 0.00 -0.41 0.00 0.00 54.97 53.27 3hs0 s GLU 458 Cb -0.16 -5.36 -0.07 0.00 -1.78 0.00 0.00 34.13 26.75 3hs0 s GLU 458 CO 0.12 -2.78 0.96 -1.01 -0.49 0.00 0.00 175.26 172.06 3hs0 s HIS 459 N 6.71 3.87 -0.91 1.61 3.76 -1.26 -4.95 115.29 124.12 3hs0 s HIS 459 Ca 0.57 1.84 0.15 0.00 -0.15 0.00 0.00 55.06 57.47 3hs0 s HIS 459 Cb 0.01 -3.04 0.63 0.00 1.11 0.00 0.00 32.58 31.29 3hs0 s HIS 459 CO 0.03 0.27 1.47 -2.13 -0.85 0.00 0.00 174.74 173.53 3hs0 n ARG 460 N 2.26 0.03 0.00 1.40 0.63 -1.26 -3.02 116.66 116.71 3hs0 n ARG 460 Ca 0.01 0.30 0.00 0.00 -0.92 0.00 0.00 57.85 57.24 3hs0 n ARG 460 Cb 0.48 -1.56 0.00 0.00 0.45 0.00 0.00 32.46 31.83 3hs0 n ARG 460 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 3hs0 n LYS 461 N -1.63 0.61 0.00 -0.14 2.85 -1.26 -4.87 118.16 113.72 3hs0 n LYS 461 Ca 0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 3hs0 n LYS 461 Cb 0.16 -1.05 0.00 0.00 -0.65 0.00 0.00 35.03 33.49 3hs0 n LYS 461 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3hs0 n GLY 462 N 0.12 0.30 2.62 2.58 0.00 -1.17 -4.76 105.19 104.89 3hs0 n GLY 462 Ca 0.00 0.38 -0.20 0.00 0.00 0.00 0.00 46.02 46.20 3hs0 n GLY 462 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hs0 n THR 463 N 0.00 -1.21 0.00 2.61 -2.24 -1.26 -4.48 114.28 107.71 3hs0 n THR 463 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3hs0 n THR 463 Cb 0.00 -2.89 0.00 0.00 -2.10 0.00 0.00 70.33 65.34 3hs0 n THR 463 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hs0 n ASP 464 N -2.14 0.00 -0.46 3.42 10.43 -1.26 -2.88 116.55 123.66 3hs0 n ASP 464 Ca -0.19 0.00 0.36 0.00 2.57 0.00 0.00 54.79 57.53 3hs0 n ASP 464 Cb 0.65 0.00 0.56 0.00 1.84 0.00 0.00 41.12 44.17 3hs0 n ASP 464 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 3hs0 n TYR 465 N 1.90 0.13 0.33 1.24 4.01 -1.26 0.16 117.16 123.67 3hs0 n TYR 465 Ca 0.00 0.13 0.18 0.00 -0.16 0.00 0.00 57.90 58.05 3hs0 n TYR 465 Cb 0.00 -0.49 0.97 0.00 -0.31 0.00 0.00 39.34 39.51 3hs0 n TYR 465 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3hs0 h HIS 466 N 0.00 0.00 -0.00 -0.72 3.86 -1.75 -1.58 115.15 114.96 3hs0 h HIS 466 Ca 0.66 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.87 3hs0 h HIS 466 Cb 2.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.99 3hs0 h HIS 466 CO -0.00 0.00 -0.76 1.63 0.86 0.00 0.00 177.93 179.66 3hs0 n LYS 467 N -3.02 0.83 -3.00 2.45 5.02 0.43 -4.60 118.16 116.28 3hs0 n LYS 467 Ca -0.02 -0.32 -0.17 0.00 -2.02 0.00 0.00 58.31 55.78 3hs0 n LYS 467 Cb 0.26 -1.42 -0.02 0.00 -0.02 0.00 0.00 35.03 33.84 3hs0 n LYS 467 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3hs0 n GLN 468 N -0.99 0.75 0.28 1.97 3.00 -0.62 -5.00 117.38 116.77 3hs0 n GLN 468 Ca 0.05 -2.59 0.12 0.00 -0.01 0.00 0.00 57.00 54.57 3hs0 n GLN 468 Cb 0.35 -1.32 0.80 0.00 0.00 0.00 0.00 30.24 30.06 3hs0 n GLN 468 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 3hs0 h PRO 469 N 3.97 0.00 -0.00 -1.09 0.11 -1.75 -2.90 132.00 130.34 3hs0 h PRO 469 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3hs0 h PRO 469 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3hs0 h PRO 469 CO 0.40 0.03 -0.05 -2.67 -0.21 0.00 0.00 178.00 175.50 3hs0 n TRP 470 N -4.03 0.00 -2.46 0.65 2.14 -1.24 -3.45 117.44 109.04 3hs0 n TRP 470 Ca -0.03 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.13 3hs0 n TRP 470 Cb 0.11 -0.22 -0.03 0.00 -0.81 0.00 0.00 31.31 30.36 3hs0 n TRP 470 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3hs0 s GLN 471 N -2.49 4.51 -0.15 -2.67 2.00 -1.10 -1.10 119.66 118.66 3hs0 s GLN 471 Ca 0.30 1.75 -0.00 0.00 -2.00 0.00 0.00 55.36 55.41 3hs0 s GLN 471 Cb 0.20 -3.31 0.03 0.00 0.80 0.00 0.00 33.01 30.74 3hs0 s GLN 471 CO 0.46 -0.09 -0.09 0.00 -0.50 0.00 0.00 175.29 175.07 3hs0 s ALA 472 N 0.37 1.62 0.38 1.58 0.00 -0.27 -4.20 121.76 121.23 3hs0 s ALA 472 Ca 0.54 -0.84 -0.24 0.00 0.00 0.00 0.00 51.96 51.42 3hs0 s ALA 472 Cb -0.30 -1.08 -0.09 0.00 0.00 0.00 0.00 23.12 21.65 3hs0 s ALA 472 CO 0.33 -0.60 1.01 0.15 0.00 0.00 0.00 175.76 176.65 3hs0 s LYS 473 N 1.58 4.30 -0.01 0.00 1.02 -0.14 -0.80 119.74 125.69 3hs0 s LYS 473 Ca 0.03 1.43 0.02 0.00 0.02 0.00 0.00 55.97 57.47 3hs0 s LYS 473 Cb -0.14 -2.60 -0.00 0.00 -0.52 0.00 0.00 37.83 34.57 3hs0 s LYS 473 CO -0.09 -0.00 -0.07 0.42 -0.92 0.00 0.00 175.35 174.69 3hs0 s ILE 474 N -1.68 0.58 -0.06 2.17 1.01 -0.96 -1.57 121.20 120.69 3hs0 s ILE 474 Ca 0.56 -0.30 -0.00 0.00 0.00 0.00 0.00 60.65 60.90 3hs0 s ILE 474 Cb -0.20 -0.49 0.03 0.00 0.01 0.00 0.00 42.46 41.80 3hs0 s ILE 474 CO 0.26 0.17 -0.02 -0.44 0.00 0.00 0.00 174.94 174.91 3hs0 s SER 475 N -0.08 1.33 -0.32 3.58 0.01 -0.99 -2.05 113.70 115.19 3hs0 s SER 475 Ca 0.02 -0.11 -0.07 0.00 1.31 0.00 0.00 55.95 57.10 3hs0 s SER 475 Cb -0.04 -0.45 0.02 0.00 0.21 0.00 0.00 66.02 65.76 3hs0 s SER 475 CO -0.00 -0.14 0.10 -0.69 0.41 0.00 0.00 173.24 172.92 3hs0 s VAL 476 N 1.55 3.97 0.47 3.43 1.01 -0.95 -2.33 120.40 127.55 3hs0 s VAL 476 Ca -0.01 -0.87 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 3hs0 s VAL 476 Cb -0.13 -3.14 -0.07 0.00 0.00 0.00 0.00 36.38 33.04 3hs0 s VAL 476 CO -0.03 -0.05 1.24 -0.63 0.00 0.00 0.00 175.10 175.63 3hs0 s ILE 477 N 1.47 2.75 0.09 2.22 -1.09 -1.16 -3.17 121.20 122.30 3hs0 s ILE 477 Ca 0.01 0.58 0.00 0.00 -2.23 0.00 0.00 60.65 59.01 3hs0 s ILE 477 Cb -0.18 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 3hs0 s ILE 477 CO 0.03 0.01 0.00 0.54 -1.23 0.00 0.00 174.94 174.29 3hs0 n ARG 478 N -0.50 0.00 -4.25 2.79 1.74 -1.26 -4.98 116.66 110.21 3hs0 n ARG 478 Ca 0.07 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.01 3hs0 n ARG 478 Cb 0.46 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.80 3hs0 n ARG 478 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3hs0 s HIS 483 N -1.18 1.25 -0.18 -1.55 0.09 -1.26 -5.31 115.29 107.15 3hs0 s HIS 483 Ca 0.00 -1.04 -0.20 0.00 -0.00 0.00 0.00 55.06 53.82 3hs0 s HIS 483 Cb 0.00 -0.71 0.05 0.00 -0.00 0.00 0.00 32.58 31.92 3hs0 s HIS 483 CO 0.00 -0.23 0.54 -2.00 -0.00 0.00 0.00 174.74 173.05 3hs0 s GLU 484 N -3.93 0.68 -0.42 1.40 2.12 -1.19 -5.01 118.70 112.35 3hs0 s GLU 484 Ca 0.26 0.65 0.02 0.00 0.36 0.00 0.00 54.97 56.26 3hs0 s GLU 484 Cb 0.06 0.33 0.14 0.00 0.26 0.00 0.00 34.13 34.92 3hs0 s GLU 484 CO 0.05 -0.11 0.25 -1.54 -0.54 0.00 0.00 175.26 173.38 3hs0 s SER 485 N 0.04 3.31 0.70 -1.70 1.04 -1.26 -2.25 113.70 113.59 3hs0 s SER 485 Ca -0.02 -2.59 -0.01 0.00 0.48 0.00 0.00 55.95 53.81 3hs0 s SER 485 Cb -0.04 -0.82 0.02 0.00 0.10 0.00 0.00 66.02 65.28 3hs0 s SER 485 CO 0.02 -0.26 0.14 0.00 0.98 0.00 0.00 173.24 174.11 3hs0 s MET 487 N -3.01 1.49 0.25 0.00 -1.94 -0.39 -2.25 119.30 113.44 3hs0 s MET 487 Ca 0.08 -1.81 -0.22 0.00 -1.71 0.00 0.00 55.69 52.04 3hs0 s MET 487 Cb -0.00 -0.48 0.04 0.00 2.01 0.00 0.00 34.83 36.40 3hs0 s MET 487 CO 0.06 -0.25 0.82 0.20 -0.01 0.00 0.00 175.02 175.83 3hs0 s GLY 488 N -3.37 -0.08 0.02 -0.03 0.00 0.02 -3.43 107.32 100.44 3hs0 s GLY 488 Ca 0.37 -0.22 0.08 0.00 0.00 0.00 0.00 44.72 44.95 3hs0 s GLY 488 CO 0.14 0.02 -0.24 0.00 0.00 0.00 0.00 173.10 173.03 3hs0 s ALA 489 N -3.48 1.99 -0.44 3.20 0.00 0.59 -1.12 121.76 122.50 3hs0 s ALA 489 Ca 0.12 -1.10 -0.25 0.00 0.00 0.00 0.00 51.96 50.73 3hs0 s ALA 489 Cb -0.04 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.65 3hs0 s ALA 489 CO 0.06 0.47 0.90 0.08 0.00 0.00 0.00 175.76 177.28 3hs0 s VAL 490 N -0.69 4.53 -0.20 0.00 1.01 -0.26 0.40 120.40 125.18 3hs0 s VAL 490 Ca 0.09 0.81 0.01 0.00 0.00 0.00 0.00 61.98 62.90 3hs0 s VAL 490 Cb -0.09 -4.39 -0.21 0.00 0.00 0.00 0.00 36.38 31.69 3hs0 s VAL 490 CO 0.01 -0.74 0.02 1.33 0.00 0.00 0.00 175.10 175.71 3hs0 n VAL 491 N 6.27 1.57 -3.41 2.92 0.24 -0.84 -1.13 118.33 123.96 3hs0 n VAL 491 Ca 0.06 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 3hs0 n VAL 491 Cb 0.48 -1.41 0.00 0.00 -1.47 0.00 0.00 33.84 31.44 3hs0 n VAL 491 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3hs0 n SER 492 N -3.27 0.73 0.12 -1.34 3.41 -1.19 -4.52 113.62 107.56 3hs0 n SER 492 Ca -0.39 -0.41 0.12 0.00 -0.26 0.00 0.00 58.87 57.93 3hs0 n SER 492 Cb 1.03 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 65.22 3hs0 n SER 492 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3hs0 h GLU 493 N 0.00 0.00 0.00 4.33 5.08 -1.90 -3.35 114.58 118.74 3hs0 h GLU 493 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 3hs0 h GLU 493 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3hs0 h GLU 493 CO 0.00 0.00 -1.82 0.66 -1.00 0.00 0.00 179.01 176.85 3hs0 n TYR 494 N -2.47 0.00 -4.41 4.33 4.01 -1.26 -1.49 117.16 115.87 3hs0 n TYR 494 Ca 0.04 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.45 3hs0 n TYR 494 Cb 0.47 -0.58 -0.10 0.00 -0.31 0.00 0.00 39.34 38.82 3hs0 n TYR 494 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3hs0 s PHE 495 N -2.29 3.04 -0.15 -0.72 0.08 -1.26 -0.94 117.98 115.75 3hs0 s PHE 495 Ca -0.09 0.08 0.01 0.00 0.12 0.00 0.00 56.93 57.05 3hs0 s PHE 495 Cb 0.04 -1.70 0.02 0.00 -0.57 0.00 0.00 43.02 40.80 3hs0 s PHE 495 CO 0.45 0.42 -0.19 0.08 -0.10 0.00 0.00 175.22 175.88 3hs0 s VAL 496 N -0.95 1.89 -0.09 -0.44 1.01 -0.72 -1.99 120.40 119.11 3hs0 s VAL 496 Ca 0.16 -0.85 -0.19 0.00 0.00 0.00 0.00 61.98 61.09 3hs0 s VAL 496 Cb -0.11 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 3hs0 s VAL 496 CO 0.06 0.51 0.52 -0.22 0.00 0.00 0.00 175.10 175.97 3hs0 s LEU 497 N 1.15 4.32 0.00 3.92 2.96 0.16 -1.45 118.68 129.74 3hs0 s LEU 497 Ca -0.00 0.92 -0.01 0.00 -0.22 0.00 0.00 54.13 54.82 3hs0 s LEU 497 Cb -0.14 -2.77 0.00 0.00 0.50 0.00 0.00 46.19 43.78 3hs0 s LEU 497 CO -0.08 0.02 0.20 1.07 -1.32 0.00 0.00 176.35 176.24 3hs0 n THR 498 N 3.42 0.00 -3.19 3.68 5.66 -0.70 -0.30 114.28 122.85 3hs0 n THR 498 Ca -0.07 -0.70 -0.33 0.00 -3.05 0.00 0.00 64.05 59.90 3hs0 n THR 498 Cb 0.52 0.44 -0.06 0.00 -1.55 0.00 0.00 70.33 69.67 3hs0 n THR 498 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hs0 s ALA 499 N -2.04 3.39 -0.34 1.79 0.00 -1.25 -1.37 121.76 121.94 3hs0 s ALA 499 Ca 0.11 -0.00 0.24 0.00 0.00 0.00 0.00 51.96 52.31 3hs0 s ALA 499 Cb -0.00 -2.71 0.45 0.00 0.00 0.00 0.00 23.12 20.86 3hs0 s ALA 499 CO 0.08 0.37 1.64 0.00 0.00 0.00 0.00 175.76 177.85 3hs0 h ALA 500 N 2.57 0.97 0.00 0.00 0.00 -1.74 -3.30 119.26 117.76 3hs0 h ALA 500 Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3hs0 h ALA 500 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3hs0 h ALA 500 CO 0.66 0.06 0.00 -2.39 0.00 0.00 0.00 179.25 177.58 3hs0 n HIS 501 N -3.12 0.00 1.03 0.00 1.44 -1.26 -3.53 115.22 109.78 3hs0 n HIS 501 Ca 0.03 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.81 3hs0 n HIS 501 Cb 0.52 0.00 0.22 0.00 0.12 0.00 0.00 29.99 30.85 3hs0 n HIS 501 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hs0 n PHE 503 N 0.42 0.00 0.00 0.00 3.72 -1.23 -4.92 117.46 115.45 3hs0 n PHE 503 Ca 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 3hs0 n PHE 503 Cb 0.29 0.26 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 3hs0 n PHE 503 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 3hs0 n THR 504 N -2.21 0.00 -3.72 4.37 5.66 -1.26 -5.18 114.28 111.94 3hs0 n THR 504 Ca 0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.85 3hs0 n THR 504 Cb 0.00 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.63 3hs0 n THR 504 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3hs0 s VAL 505 N 0.00 -0.12 0.00 1.08 0.11 -1.26 -5.17 120.40 115.04 3hs0 s VAL 505 Ca 0.00 0.24 0.00 0.00 -2.93 0.00 0.00 61.98 59.29 3hs0 s VAL 505 Cb 0.00 -0.26 0.00 0.00 -1.53 0.00 0.00 36.38 34.59 3hs0 s VAL 505 CO 0.00 0.10 0.00 1.41 -3.33 0.00 0.00 175.10 173.28 3hs0 n HIS 510 N 4.60 0.00 0.61 1.54 8.25 -1.26 -5.02 115.22 123.93 3hs0 n HIS 510 Ca -0.19 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.37 3hs0 n HIS 510 Cb 0.51 0.00 0.42 0.00 1.12 0.00 0.00 29.99 32.04 3hs0 n HIS 510 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3hs0 n SER 511 N 0.00 0.19 -4.27 0.41 3.41 -1.26 -4.82 113.62 107.28 3hs0 n SER 511 Ca 0.00 0.54 -0.21 0.00 -0.26 0.00 0.00 58.87 58.93 3hs0 n SER 511 Cb 0.00 -0.58 -0.12 0.00 -0.26 0.00 0.00 64.21 63.25 3hs0 n SER 511 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hs0 s ILE 512 N -3.07 1.56 -0.01 -1.33 1.01 -1.26 -2.97 121.20 115.13 3hs0 s ILE 512 Ca 0.08 -1.62 -0.06 0.00 0.00 0.00 0.00 60.65 59.05 3hs0 s ILE 512 Cb 0.12 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 41.06 3hs0 s ILE 512 CO 0.38 -0.22 0.13 -1.59 0.00 0.00 0.00 174.94 173.63 3hs0 s LYS 513 N -2.24 0.41 -0.03 2.79 -2.85 -0.98 -4.62 119.74 112.22 3hs0 s LYS 513 Ca 0.08 -0.29 0.07 0.00 -1.00 0.00 0.00 55.97 54.82 3hs0 s LYS 513 Cb -0.08 0.17 -0.02 0.00 -2.06 0.00 0.00 37.83 35.85 3hs0 s LYS 513 CO 0.04 -0.09 -0.23 0.08 0.10 0.00 0.00 175.35 175.25 3hs0 s VAL 514 N -1.09 1.81 -0.01 1.79 1.01 -1.20 -2.34 120.40 120.35 3hs0 s VAL 514 Ca -0.12 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 60.93 3hs0 s VAL 514 Cb -0.06 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 3hs0 s VAL 514 CO 0.01 0.51 -0.11 -0.94 0.00 0.00 0.00 175.10 174.58 3hs0 s SER 515 N -0.43 1.29 0.13 3.32 1.04 -0.61 0.99 113.70 119.44 3hs0 s SER 515 Ca 0.06 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.29 3hs0 s SER 515 Cb -0.10 -0.21 -0.04 0.00 0.10 0.00 0.00 66.02 65.77 3hs0 s SER 515 CO 0.00 0.12 0.01 -0.69 0.98 0.00 0.00 173.24 173.66 3hs0 s VAL 516 N -0.12 0.39 -2.07 5.02 1.01 -1.26 -0.97 120.40 122.40 3hs0 s VAL 516 Ca 0.02 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.07 3hs0 s VAL 516 Cb -0.06 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.35 3hs0 s VAL 516 CO -0.00 -0.58 0.00 0.61 0.00 0.00 0.00 175.10 175.13 3hs0 n GLY 517 N -0.12 1.10 2.32 4.51 0.00 -1.26 0.17 105.19 111.92 3hs0 n GLY 517 Ca -0.08 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 3hs0 n GLY 517 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hs0 n GLY 518 N -0.62 0.82 3.61 -0.02 0.00 -1.26 -4.97 105.19 102.75 3hs0 n GLY 518 Ca -0.22 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 3hs0 n GLY 518 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hs0 s GLU 519 N -3.60 3.93 0.20 1.61 2.02 0.13 -4.94 118.70 118.06 3hs0 s GLU 519 Ca 0.00 0.41 -0.13 0.00 0.02 0.00 0.00 54.97 55.27 3hs0 s GLU 519 Cb 0.00 -3.72 0.24 0.00 0.10 0.00 0.00 34.13 30.74 3hs0 s GLU 519 CO 0.00 -0.60 1.65 -0.22 0.02 0.00 0.00 175.26 176.11 3hs0 h LYS 520 N 8.14 0.05 -6.08 1.61 3.64 -1.93 -3.37 116.57 118.62 3hs0 h LYS 520 Ca -0.26 -0.00 -0.80 0.00 -1.27 0.00 0.00 60.65 58.32 3hs0 h LYS 520 Cb 1.11 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 32.93 3hs0 h LYS 520 CO 0.83 0.03 0.77 -2.13 -2.27 0.00 0.00 179.45 176.69 3hs0 n ARG 521 N -5.34 0.64 -4.01 1.90 0.63 -1.26 -4.95 116.66 104.27 3hs0 n ARG 521 Ca 0.07 0.23 -0.36 0.00 -0.92 0.00 0.00 57.85 56.88 3hs0 n ARG 521 Cb 0.32 -1.84 -0.07 0.00 0.45 0.00 0.00 32.46 31.33 3hs0 n ARG 521 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 3hs0 s ASP 522 N 3.11 6.08 -0.03 6.15 -4.77 -1.26 -4.47 116.67 121.48 3hs0 s ASP 522 Ca 1.00 0.37 -0.05 0.00 -3.30 0.00 0.00 52.55 50.57 3hs0 s ASP 522 Cb -1.25 -1.90 -0.04 0.00 -1.09 0.00 0.00 42.92 38.63 3hs0 s ASP 522 CO 0.72 0.39 0.20 -0.76 0.70 0.00 0.00 175.17 176.42 3hs0 s LEU 523 N -1.07 4.38 0.18 2.11 1.43 0.28 -4.88 118.68 121.11 3hs0 s LEU 523 Ca 0.15 0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 53.41 3hs0 s LEU 523 Cb -0.12 -2.51 -0.08 0.00 0.03 0.00 0.00 46.19 43.51 3hs0 s LEU 523 CO 0.05 0.29 1.28 -0.70 0.23 0.00 0.00 176.35 177.50 3hs0 s GLU 524 N -1.66 4.41 0.10 1.70 2.12 -1.26 -3.27 118.70 120.84 3hs0 s GLU 524 Ca 0.24 1.99 0.07 0.00 0.36 0.00 0.00 54.97 57.64 3hs0 s GLU 524 Cb -0.13 -3.22 -0.04 0.00 0.26 0.00 0.00 34.13 31.00 3hs0 s GLU 524 CO 0.14 -0.23 -0.13 0.96 -0.54 0.00 0.00 175.26 175.47 3hs0 s ILE 525 N 0.23 3.19 -0.16 -3.70 -4.36 -1.26 -1.16 121.20 113.97 3hs0 s ILE 525 Ca 0.56 -1.30 -0.12 0.00 -0.26 0.00 0.00 60.65 59.54 3hs0 s ILE 525 Cb -0.35 -2.46 -0.23 0.00 1.25 0.00 0.00 42.46 40.67 3hs0 s ILE 525 CO 0.36 0.15 0.25 1.21 0.24 0.00 0.00 174.94 177.15 3hs0 n GLU 526 N 0.86 0.68 -3.62 0.37 2.13 0.47 -4.42 120.64 117.10 3hs0 n GLU 526 Ca -0.14 0.36 -0.06 0.00 0.66 0.00 0.00 57.16 57.98 3hs0 n GLU 526 Cb 0.52 -1.70 -0.06 0.00 0.27 0.00 0.00 31.44 30.47 3hs0 n GLU 526 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3hs0 s VAL 527 N -2.49 0.00 -0.08 6.31 0.11 -1.22 -4.95 120.40 118.07 3hs0 s VAL 527 Ca -0.26 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 58.64 3hs0 s VAL 527 Cb 0.07 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.87 3hs0 s VAL 527 CO 0.69 0.00 0.37 -0.69 -3.33 0.00 0.00 175.10 172.14 3hs0 s VAL 528 N -0.58 5.18 -0.59 2.04 1.01 -1.26 -2.82 120.40 123.38 3hs0 s VAL 528 Ca 0.04 0.73 -0.06 0.00 0.00 0.00 0.00 61.98 62.69 3hs0 s VAL 528 Cb -0.02 -3.69 0.15 0.00 0.00 0.00 0.00 36.38 32.82 3hs0 s VAL 528 CO -0.06 0.47 0.43 -0.76 0.00 0.00 0.00 175.10 175.18 3hs0 s LEU 529 N -0.25 5.59 0.44 3.92 1.43 0.60 -4.97 118.68 125.45 3hs0 s LEU 529 Ca 0.21 -2.47 -0.23 0.00 -1.03 0.00 0.00 54.13 50.60 3hs0 s LEU 529 Cb -0.15 -1.94 -0.08 0.00 0.03 0.00 0.00 46.19 44.05 3hs0 s LEU 529 CO 0.09 -0.51 1.13 -0.36 0.23 0.00 0.00 176.35 176.94 3hs0 s PHE 530 N 0.50 3.00 0.23 0.29 0.08 -1.26 -1.87 117.98 118.96 3hs0 s PHE 530 Ca 0.13 1.57 -0.30 0.00 0.12 0.00 0.00 56.93 58.44 3hs0 s PHE 530 Cb -0.21 -3.31 -0.10 0.00 -0.57 0.00 0.00 43.02 38.84 3hs0 s PHE 530 CO -0.04 -1.24 1.40 -1.58 -0.10 0.00 0.00 175.22 173.66 3hs0 s HIS 531 N -1.56 3.10 0.66 0.36 5.65 -1.05 -4.89 115.29 117.56 3hs0 s HIS 531 Ca 0.61 1.07 0.42 0.00 0.25 0.00 0.00 55.06 57.41 3hs0 s HIS 531 Cb -0.27 -3.75 2.29 0.00 -1.18 0.00 0.00 32.58 29.67 3hs0 s HIS 531 CO 0.33 -2.44 2.31 -1.00 -0.65 0.00 0.00 174.74 173.29 3hs0 h PRO 532 N 5.22 0.00 0.00 2.88 0.13 -1.93 -0.87 132.00 137.43 3hs0 h PRO 532 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3hs0 h PRO 532 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3hs0 h PRO 532 CO 0.78 0.00 -1.05 0.09 -0.23 0.00 0.00 178.00 177.59 3hs0 n ASN 533 N -3.13 0.63 -4.78 1.44 4.13 -1.26 -4.95 115.26 107.34 3hs0 n ASN 533 Ca -0.03 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.82 3hs0 n ASN 533 Cb 0.11 0.72 -0.00 0.00 -1.54 0.00 0.00 39.78 39.07 3hs0 n ASN 533 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3hs0 s TYR 534 N -3.27 2.59 -0.30 3.10 5.04 -0.34 -4.89 117.35 119.28 3hs0 s TYR 534 Ca 0.02 1.16 -0.04 0.00 -2.44 0.00 0.00 57.07 55.77 3hs0 s TYR 534 Cb 0.13 -4.02 0.19 0.00 0.35 0.00 0.00 41.96 38.61 3hs0 s TYR 534 CO 0.80 -3.01 0.86 1.21 -1.34 0.00 0.00 175.55 174.07 3hs0 s ASN 535 N -0.13 -0.91 0.26 4.32 3.84 -1.26 -4.98 114.94 116.08 3hs0 s ASN 535 Ca 0.53 0.03 0.19 0.00 0.21 0.00 0.00 52.86 53.82 3hs0 s ASN 535 Cb -0.46 1.52 0.97 0.00 -0.55 0.00 0.00 41.25 42.72 3hs0 s ASN 535 CO 0.63 -0.16 1.58 0.00 -2.79 0.00 0.00 177.10 176.36 3hs0 n ILE 536 N 5.07 1.11 -0.35 -5.21 0.13 -1.26 -0.92 119.36 117.92 3hs0 n ILE 536 Ca 0.08 0.59 0.06 0.00 -1.10 0.00 0.00 62.75 62.37 3hs0 n ILE 536 Cb 0.57 -1.56 0.17 0.00 -0.84 0.00 0.00 39.64 37.98 3hs0 n ILE 536 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 3hs0 n ASN 537 N -2.13 3.12 -0.44 9.51 4.13 -1.26 -2.84 115.26 125.34 3hs0 n ASN 537 Ca -0.00 -2.22 0.37 0.00 1.68 0.00 0.00 54.58 54.40 3hs0 n ASN 537 Cb 0.08 -0.30 0.68 0.00 -1.54 0.00 0.00 39.78 38.70 3hs0 n ASN 537 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 3hs0 h GLY 538 N 1.93 0.71 -5.12 7.41 0.00 -1.34 -2.27 103.07 104.39 3hs0 h GLY 538 Ca 0.00 -0.08 -0.28 0.00 0.00 0.00 0.00 47.33 46.97 3hs0 h GLY 538 CO 0.05 -0.17 -1.07 0.28 0.00 0.00 0.00 176.54 175.63 3hs0 n LYS 539 N -4.41 1.97 0.12 4.80 5.02 -1.26 -4.76 118.16 119.64 3hs0 n LYS 539 Ca 0.33 -3.58 0.11 0.00 -2.02 0.00 0.00 58.31 53.15 3hs0 n LYS 539 Cb 1.38 -1.68 0.47 0.00 -0.02 0.00 0.00 35.03 35.19 3hs0 n LYS 539 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3hs0 n LYS 540 N -0.60 0.16 -0.01 1.97 4.81 -0.86 -2.60 118.16 121.03 3hs0 n LYS 540 Ca 0.12 0.44 -0.07 0.00 -0.87 0.00 0.00 58.31 57.93 3hs0 n LYS 540 Cb 0.83 -1.83 0.11 0.00 0.02 0.00 0.00 35.03 34.16 3hs0 n LYS 540 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3hs0 h GLU 541 N 0.00 0.58 -0.82 1.64 4.39 -1.86 -3.14 114.58 115.38 3hs0 h GLU 541 Ca 0.00 -0.28 -0.19 0.00 0.34 0.00 0.00 59.36 59.23 3hs0 h GLU 541 Cb 0.29 -0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.82 3hs0 h GLU 541 CO 0.00 0.86 0.24 0.00 -1.16 0.00 0.00 179.01 178.95 3hs0 n ALA 542 N -2.50 4.24 -1.70 3.43 0.00 -1.07 -4.88 120.51 118.03 3hs0 n ALA 542 Ca -0.01 -1.90 -0.14 0.00 0.00 0.00 0.00 53.44 51.39 3hs0 n ALA 542 Cb 0.50 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 3hs0 n ALA 542 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hs0 n GLY 543 N -0.10 0.87 3.02 0.00 0.00 -1.18 -4.96 105.19 102.84 3hs0 n GLY 543 Ca 0.34 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3hs0 n GLY 543 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hs0 s ILE 544 N -2.57 2.76 0.00 -0.61 -4.36 -1.16 -4.77 121.20 110.49 3hs0 s ILE 544 Ca 0.00 -2.77 0.00 0.00 -0.26 0.00 0.00 60.65 57.62 3hs0 s ILE 544 Cb 0.00 -2.93 0.00 0.00 1.25 0.00 0.00 42.46 40.78 3hs0 s ILE 544 CO 0.00 -0.73 0.08 -2.65 0.24 0.00 0.00 174.94 171.87 3hs0 n PRO 545 N 3.74 0.00 -3.36 0.37 -0.02 -1.26 -3.84 135.00 130.63 3hs0 n PRO 545 Ca 0.04 0.08 -0.39 0.00 -2.02 0.00 0.00 63.50 61.21 3hs0 n PRO 545 Cb 0.37 -0.55 -0.08 0.00 -0.02 0.00 0.00 33.50 33.23 3hs0 n PRO 545 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3hs0 s GLU 546 N -0.16 4.10 -0.40 -0.52 2.02 -1.26 -4.44 118.70 118.04 3hs0 s GLU 546 Ca 0.00 0.17 -0.03 0.00 0.02 0.00 0.00 54.97 55.13 3hs0 s GLU 546 Cb 0.00 -3.60 0.11 0.00 0.10 0.00 0.00 34.13 30.74 3hs0 s GLU 546 CO 0.00 -0.17 0.19 0.12 0.02 0.00 0.00 175.26 175.42 3hs0 s PHE 547 N 1.73 3.57 -0.72 1.61 5.36 -1.13 -4.99 117.98 123.41 3hs0 s PHE 547 Ca 0.18 -2.38 0.05 0.00 -0.96 0.00 0.00 56.93 53.81 3hs0 s PHE 547 Cb -0.15 -3.14 0.28 0.00 -0.34 0.00 0.00 43.02 39.67 3hs0 s PHE 547 CO 0.09 -0.96 0.95 0.66 -1.46 0.00 0.00 175.22 174.49 3hs0 n TYR 548 N 4.59 0.74 -1.99 10.12 4.01 -1.26 -4.28 117.16 129.09 3hs0 n TYR 548 Ca -0.03 -0.27 -0.39 0.00 -0.16 0.00 0.00 57.90 57.05 3hs0 n TYR 548 Cb 0.42 -0.25 0.01 0.00 -0.31 0.00 0.00 39.34 39.20 3hs0 n TYR 548 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3hs0 s ASP 549 N -0.25 6.04 -1.37 7.72 2.15 -1.26 -3.14 116.67 126.55 3hs0 s ASP 549 Ca 0.19 2.67 -0.04 0.00 0.43 0.00 0.00 52.55 55.80 3hs0 s ASP 549 Cb 0.15 -2.64 0.02 0.00 -0.30 0.00 0.00 42.92 40.15 3hs0 s ASP 549 CO 0.05 -1.04 0.80 -1.22 -0.17 0.00 0.00 175.17 173.60 3hs0 n TYR 550 N -0.21 -2.06 -2.26 -5.34 4.01 -1.26 -4.40 117.16 105.64 3hs0 n TYR 550 Ca 0.06 0.87 -0.42 0.00 -0.16 0.00 0.00 57.90 58.25 3hs0 n TYR 550 Cb 0.44 -4.33 0.00 0.00 -0.31 0.00 0.00 39.34 35.15 3hs0 n TYR 550 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3hs0 n ASP 551 N -3.00 6.00 -4.06 7.72 2.03 -1.19 -4.15 116.55 119.90 3hs0 n ASP 551 Ca -0.20 -3.13 -0.13 0.00 0.52 0.00 0.00 54.79 51.85 3hs0 n ASP 551 Cb 0.63 -1.44 -0.11 0.00 -0.72 0.00 0.00 41.12 39.48 3hs0 n ASP 551 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3hs0 s VAL 552 N -0.18 0.53 -0.04 5.18 -7.23 -1.26 -3.08 120.40 114.31 3hs0 s VAL 552 Ca 0.43 -1.10 -0.16 0.00 -1.81 0.00 0.00 61.98 59.35 3hs0 s VAL 552 Cb 0.12 -0.63 0.03 0.00 0.56 0.00 0.00 36.38 36.46 3hs0 s VAL 552 CO -0.02 -0.40 0.35 0.00 -0.31 0.00 0.00 175.10 174.72 3hs0 s ALA 553 N -1.44 -0.89 -0.04 1.32 0.00 -0.47 -2.53 121.76 117.71 3hs0 s ALA 553 Ca -0.10 0.53 0.03 0.00 0.00 0.00 0.00 51.96 52.42 3hs0 s ALA 553 Cb -0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 3hs0 s ALA 553 CO 0.00 -0.25 -0.10 -0.51 0.00 0.00 0.00 175.76 174.89 3hs0 s LEU 554 N -1.05 2.97 -0.32 0.00 1.43 -0.78 -1.72 118.68 119.22 3hs0 s LEU 554 Ca -0.11 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 3hs0 s LEU 554 Cb -0.04 -1.65 0.08 0.00 0.03 0.00 0.00 46.19 44.60 3hs0 s LEU 554 CO 0.04 0.34 0.01 -0.63 0.23 0.00 0.00 176.35 176.34 3hs0 s ILE 555 N -0.81 2.62 -0.23 -0.59 1.01 -0.53 -0.29 121.20 122.37 3hs0 s ILE 555 Ca 0.13 -1.82 -0.28 0.00 0.00 0.00 0.00 60.65 58.69 3hs0 s ILE 555 Cb -0.11 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.70 3hs0 s ILE 555 CO 0.02 -0.31 0.97 -0.75 0.00 0.00 0.00 174.94 174.88 3hs0 s LYS 556 N 1.10 4.24 0.66 2.79 2.20 -1.13 -1.76 119.74 127.84 3hs0 s LYS 556 Ca 0.00 1.23 -0.13 0.00 -0.36 0.00 0.00 55.97 56.71 3hs0 s LYS 556 Cb -0.20 -3.64 -0.01 0.00 -1.51 0.00 0.00 37.83 32.47 3hs0 s LYS 556 CO -0.05 -0.59 1.06 -0.51 -0.36 0.00 0.00 175.35 174.91 3hs0 s LEU 557 N 3.06 3.27 0.33 5.43 1.43 -0.11 -0.40 118.68 131.70 3hs0 s LEU 557 Ca 0.41 1.72 0.18 0.00 -1.03 0.00 0.00 54.13 55.41 3hs0 s LEU 557 Cb -0.15 -4.51 0.20 0.00 0.03 0.00 0.00 46.19 41.75 3hs0 s LEU 557 CO 0.07 -1.39 1.51 0.50 0.23 0.00 0.00 176.35 177.27 3hs0 h LYS 558 N -0.28 0.00 -5.03 1.70 1.63 -1.41 -3.40 116.57 109.78 3hs0 h LYS 558 Ca -0.45 0.00 -0.63 0.00 -0.85 0.00 0.00 60.65 58.72 3hs0 h LYS 558 Cb 1.22 0.00 -0.34 0.00 -0.60 0.00 0.00 32.23 32.51 3hs0 h LYS 558 CO 0.56 0.36 -0.86 -0.80 -3.45 0.00 0.00 179.45 175.27 3hs0 s ASN 559 N -6.38 2.79 0.62 4.20 0.01 -1.26 -5.02 114.94 109.90 3hs0 s ASN 559 Ca 0.04 -0.51 -0.18 0.00 -0.71 0.00 0.00 52.86 51.50 3hs0 s ASN 559 Cb 0.07 -1.28 -0.07 0.00 0.41 0.00 0.00 41.25 40.39 3hs0 s ASN 559 CO 0.72 0.07 0.57 0.29 -1.51 0.00 0.00 177.10 177.24 3hs0 n LYS 560 N 3.97 0.49 -4.05 -0.60 5.02 -1.26 -4.91 118.16 116.81 3hs0 n LYS 560 Ca -0.20 0.20 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 3hs0 n LYS 560 Cb 0.52 -1.79 -0.06 0.00 -0.02 0.00 0.00 35.03 33.68 3hs0 n LYS 560 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hs0 s LEU 561 N 0.19 3.95 -0.29 -0.35 1.43 -0.56 -5.04 118.68 118.01 3hs0 s LEU 561 Ca 0.69 0.13 -0.06 0.00 -1.03 0.00 0.00 54.13 53.86 3hs0 s LEU 561 Cb -0.41 -2.43 0.02 0.00 0.03 0.00 0.00 46.19 43.40 3hs0 s LEU 561 CO 0.54 0.23 0.06 -0.75 0.23 0.00 0.00 176.35 176.66 3hs0 s LYS 562 N -2.02 2.97 1.47 1.70 2.20 -1.26 -4.89 119.74 119.91 3hs0 s LYS 562 Ca 0.26 -0.93 -0.24 0.00 -0.36 0.00 0.00 55.97 54.70 3hs0 s LYS 562 Cb -0.12 -3.31 0.38 0.00 -1.51 0.00 0.00 37.83 33.27 3hs0 s LYS 562 CO 0.18 -0.47 0.88 0.66 -0.36 0.00 0.00 175.35 176.24 3hs0 n TYR 563 N 4.82 -3.67 -1.58 4.03 4.01 -1.26 -4.92 117.16 118.60 3hs0 n TYR 563 Ca -0.15 -0.78 0.00 0.00 -0.16 0.00 0.00 57.90 56.82 3hs0 n TYR 563 Cb 0.47 -1.36 0.00 0.00 -0.31 0.00 0.00 39.34 38.14 3hs0 n TYR 563 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hs0 n GLY 564 N 1.85 -1.78 0.20 2.72 0.00 -0.19 -4.88 105.19 103.12 3hs0 n GLY 564 Ca 0.13 -1.13 0.14 0.00 0.00 0.00 0.00 46.02 45.16 3hs0 n GLY 564 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3hs0 h GLN 565 N 0.00 0.00 0.00 1.61 1.08 -1.99 -2.18 115.11 113.63 3hs0 h GLN 565 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3hs0 h GLN 565 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3hs0 h GLN 565 CO 0.00 0.00 -0.10 0.25 -0.95 0.00 0.00 178.83 178.03 3hs0 n THR 566 N -2.43 0.94 -3.38 -0.54 -2.24 -1.26 -4.53 114.28 100.84 3hs0 n THR 566 Ca -0.02 -1.06 -0.11 0.00 -2.27 0.00 0.00 64.05 60.58 3hs0 n THR 566 Cb 0.05 0.34 -0.09 0.00 -2.10 0.00 0.00 70.33 68.53 3hs0 n THR 566 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3hs0 s ILE 567 N -1.27 -0.54 0.14 2.28 1.01 -0.82 -4.23 121.20 117.78 3hs0 s ILE 567 Ca 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.61 3hs0 s ILE 567 Cb 0.09 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 3hs0 s ILE 567 CO 0.01 -0.19 0.06 -0.13 0.00 0.00 0.00 174.94 174.69 3hs0 s ARG 568 N 2.49 0.98 0.81 2.79 0.52 -1.22 -1.02 118.95 124.30 3hs0 s ARG 568 Ca 0.11 -1.48 -0.12 0.00 -0.52 0.00 0.00 55.73 53.73 3hs0 s ARG 568 Cb -0.15 0.19 0.09 0.00 0.52 0.00 0.00 34.95 35.60 3hs0 s ARG 568 CO -0.18 -0.26 1.17 -2.14 0.02 0.00 0.00 175.30 173.90 3hs0 s PRO 569 N -4.05 1.85 0.15 3.54 0.02 -1.26 -3.68 135.00 131.57 3hs0 s PRO 569 Ca 0.26 -0.01 0.11 0.00 0.02 0.00 0.00 61.00 61.39 3hs0 s PRO 569 Cb 0.07 -1.97 -0.04 0.00 0.02 0.00 0.00 34.50 32.58 3hs0 s PRO 569 CO 0.03 -1.64 -0.25 -1.50 -0.33 0.00 0.00 177.00 173.31 3hs0 s ILE 570 N -3.56 2.33 0.41 2.83 2.07 -0.28 -1.03 121.20 123.97 3hs0 s ILE 570 Ca 0.63 -1.83 -0.25 0.00 -1.41 0.00 0.00 60.65 57.79 3hs0 s ILE 570 Cb -0.10 -2.06 -0.08 0.00 0.13 0.00 0.00 42.46 40.34 3hs0 s ILE 570 CO 0.49 0.02 1.17 0.00 -1.91 0.00 0.00 174.94 174.71 3hs0 s LEU 572 N -2.59 3.38 0.31 0.00 1.43 -1.26 -1.94 118.68 118.01 3hs0 s LEU 572 Ca 0.58 -0.30 -0.29 0.00 -1.03 0.00 0.00 54.13 53.09 3hs0 s LEU 572 Cb -0.30 -2.06 -0.11 0.00 0.03 0.00 0.00 46.19 43.75 3hs0 s LEU 572 CO 0.38 0.12 1.43 -2.84 0.23 0.00 0.00 176.35 175.67 3hs0 s PRO 573 N -2.68 4.23 -0.57 1.29 0.02 -1.26 -3.64 135.00 132.39 3hs0 s PRO 573 Ca 0.27 2.38 -0.00 0.00 0.02 0.00 0.00 61.00 63.66 3hs0 s PRO 573 Cb -0.10 -3.05 -0.01 0.00 0.02 0.00 0.00 34.50 31.36 3hs0 s PRO 573 CO 0.18 -0.40 0.48 0.00 -0.33 0.00 0.00 177.00 176.93 3hs0 s THR 575 N -3.18 1.68 0.25 0.00 -4.23 -1.24 -3.89 115.64 105.04 3hs0 s THR 575 Ca 0.04 -2.13 0.02 0.00 -1.18 0.00 0.00 61.69 58.44 3hs0 s THR 575 Cb -0.00 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 71.37 3hs0 s THR 575 CO 0.36 -0.28 1.64 -0.33 -0.54 0.00 0.00 174.62 175.46 3hs0 h GLU 576 N 2.25 0.44 -0.71 3.99 5.08 -1.32 -2.59 114.58 121.72 3hs0 h GLU 576 Ca -0.40 -0.22 0.07 0.00 -1.00 0.00 0.00 59.36 57.82 3hs0 h GLU 576 Cb 1.24 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.44 3hs0 h GLU 576 CO 0.68 0.77 0.47 0.78 -1.00 0.00 0.00 179.01 180.70 3hs0 h GLY 577 N 1.12 0.91 0.29 -3.84 0.00 -1.83 -0.11 103.07 99.62 3hs0 h GLY 577 Ca 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 3hs0 h GLY 577 CO 0.07 0.20 -0.08 -0.84 0.00 0.00 0.00 176.54 175.88 3hs0 h THR 578 N 0.70 1.60 -0.77 4.70 2.02 -1.79 -0.20 112.91 119.17 3hs0 h THR 578 Ca 0.31 -1.88 0.17 0.00 0.77 0.00 0.00 66.41 65.79 3hs0 h THR 578 Cb 0.33 2.84 -0.11 0.00 -1.74 0.00 0.00 68.15 69.47 3hs0 h THR 578 CO -0.11 0.50 0.23 0.74 0.37 0.00 0.00 175.52 177.25 3hs0 h THR 579 N -0.69 0.51 -0.29 3.16 2.02 -1.11 0.18 112.91 116.70 3hs0 h THR 579 Ca -0.01 -0.11 -0.07 0.00 0.77 0.00 0.00 66.41 67.00 3hs0 h THR 579 Cb 0.86 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 3hs0 h THR 579 CO 0.02 0.06 -0.08 0.03 0.37 0.00 0.00 175.52 175.91 3hs0 h ARG 580 N 0.31 0.57 0.00 6.66 3.08 -1.06 -1.32 114.38 122.62 3hs0 h ARG 580 Ca 0.44 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 3hs0 h ARG 580 Cb 0.77 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 3hs0 h ARG 580 CO -0.51 0.77 -0.04 0.00 -1.07 0.00 0.00 179.97 179.12 3hs0 h ALA 581 N 0.78 1.70 -0.01 0.04 0.00 0.63 -1.48 119.26 120.92 3hs0 h ALA 581 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hs0 h ALA 581 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hs0 h ALA 581 CO 0.03 0.05 -0.32 1.28 0.00 0.00 0.00 179.25 180.29 3hs0 n LEU 582 N -4.15 1.00 -1.49 0.00 4.77 0.48 -4.80 117.00 112.80 3hs0 n LEU 582 Ca -0.03 -0.25 -0.04 0.00 -0.03 0.00 0.00 56.01 55.66 3hs0 n LEU 582 Cb 0.12 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 3hs0 n LEU 582 CO 0.31 0.19 0.03 0.54 -1.33 0.00 0.00 177.39 177.13 3hs0 n ARG 583 N -0.75 -1.45 -4.45 3.23 5.12 -0.56 -4.99 116.66 112.80 3hs0 n ARG 583 Ca 0.11 0.18 -0.22 0.00 -1.93 0.00 0.00 57.85 55.99 3hs0 n ARG 583 Cb 0.35 -3.23 -0.10 0.00 -1.16 0.00 0.00 32.46 28.32 3hs0 n ARG 583 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3hs0 s LEU 584 N -2.88 2.57 0.62 0.55 1.43 -0.52 -5.04 118.68 115.41 3hs0 s LEU 584 Ca 0.01 -1.15 -0.14 0.00 -1.03 0.00 0.00 54.13 51.82 3hs0 s LEU 584 Cb -0.01 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.38 3hs0 s LEU 584 CO 0.16 -0.23 1.05 -2.84 0.23 0.00 0.00 176.35 174.72 3hs0 s PRO 585 N -3.65 3.29 0.41 1.29 0.02 -1.26 -4.50 135.00 130.58 3hs0 s PRO 585 Ca 0.29 1.09 0.27 0.00 0.02 0.00 0.00 61.00 62.67 3hs0 s PRO 585 Cb 0.02 -2.03 1.44 0.00 0.02 0.00 0.00 34.50 33.95 3hs0 s PRO 585 CO 0.13 -0.83 1.81 -1.00 -0.33 0.00 0.00 177.00 176.78 3hs0 h PRO 586 N 0.12 0.00 -0.95 5.54 0.13 -1.99 -2.22 132.00 132.63 3hs0 h PRO 586 Ca -0.46 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.45 3hs0 h PRO 586 Cb 1.21 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 3hs0 h PRO 586 CO 0.58 0.00 0.28 0.25 -0.23 0.00 0.00 178.00 178.88 3hs0 n THR 587 N -2.44 2.05 -3.37 1.56 -2.24 -1.26 -4.89 114.28 103.69 3hs0 n THR 587 Ca -0.02 -0.98 -0.38 0.00 -2.27 0.00 0.00 64.05 60.41 3hs0 n THR 587 Cb 0.06 -0.64 -0.07 0.00 -2.10 0.00 0.00 70.33 67.58 3hs0 n THR 587 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3hs0 s THR 588 N -1.82 5.20 0.80 4.28 2.01 -0.84 -5.08 115.64 120.20 3hs0 s THR 588 Ca 0.31 0.78 -0.10 0.00 0.31 0.00 0.00 61.69 62.98 3hs0 s THR 588 Cb 0.25 -3.75 0.11 0.00 0.01 0.00 0.00 72.50 69.12 3hs0 s THR 588 CO 0.06 0.28 1.14 0.42 -0.69 0.00 0.00 174.62 175.84 3hs0 s THR 589 N 1.07 2.11 0.15 -0.82 -4.23 -1.26 -4.97 115.64 107.68 3hs0 s THR 589 Ca 0.21 -0.15 -0.09 0.00 -1.18 0.00 0.00 61.69 60.48 3hs0 s THR 589 Cb -0.15 -2.96 -0.07 0.00 1.34 0.00 0.00 72.50 70.66 3hs0 s THR 589 CO 0.08 0.00 1.45 0.00 -0.54 0.00 0.00 174.62 175.61 3hs0 h GLN 591 N 0.64 0.99 0.00 0.00 5.75 -2.00 -2.49 115.11 118.01 3hs0 h GLN 591 Ca 0.02 -0.23 -0.04 0.00 -0.15 0.00 0.00 58.65 58.25 3hs0 h GLN 591 Cb 1.10 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.52 3hs0 h GLN 591 CO 0.11 0.90 -0.19 1.96 -2.65 0.00 0.00 178.83 178.96 3hs0 h GLN 592 N 0.94 0.00 -0.07 1.69 4.20 -1.92 0.21 115.11 120.15 3hs0 h GLN 592 Ca 0.20 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 3hs0 h GLN 592 Cb 0.37 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 3hs0 h GLN 592 CO 0.00 0.19 -0.09 1.96 -0.67 0.00 0.00 178.83 180.23 3hs0 h GLN 593 N 0.00 0.18 -0.18 1.46 4.20 -1.27 -2.70 115.11 116.80 3hs0 h GLN 593 Ca -0.00 -0.10 0.02 0.00 0.06 0.00 0.00 58.65 58.62 3hs0 h GLN 593 Cb 0.38 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 3hs0 h GLN 593 CO 0.02 0.65 0.06 -0.22 -0.67 0.00 0.00 178.83 178.67 3hs0 h LYS 594 N -0.27 0.15 0.00 1.46 3.64 -1.10 0.18 116.57 120.63 3hs0 h LYS 594 Ca 0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hs0 h LYS 594 Cb 0.62 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3hs0 h LYS 594 CO 0.02 0.10 0.09 0.93 -2.27 0.00 0.00 179.45 178.32 3hs0 h GLU 595 N 0.15 0.00 0.07 1.90 5.08 -1.01 0.31 114.58 121.07 3hs0 h GLU 595 Ca 0.08 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.07 3hs0 h GLU 595 Cb 0.05 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 3hs0 h GLU 595 CO -0.08 0.00 -2.20 -1.91 -1.00 0.00 0.00 179.01 173.82 3hs0 n GLU 596 N -2.88 0.71 -0.10 2.33 4.07 -0.32 -4.25 120.64 120.20 3hs0 n GLU 596 Ca -0.02 0.21 -0.21 0.00 -0.06 0.00 0.00 57.16 57.07 3hs0 n GLU 596 Cb 0.15 -1.63 -0.12 0.00 -0.06 0.00 0.00 31.44 29.78 3hs0 n GLU 596 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3hs0 h LEU 597 N 0.04 0.02 -5.84 4.31 3.38 -0.08 -3.42 115.31 113.73 3hs0 h LEU 597 Ca -0.49 -0.57 -0.67 0.00 0.09 0.00 0.00 57.88 56.24 3hs0 h LEU 597 Cb 1.99 -0.01 -0.37 0.00 0.09 0.00 0.00 40.66 42.36 3hs0 h LEU 597 CO 0.01 1.46 -0.09 0.18 0.09 0.00 0.00 178.44 180.09 3hs0 n LEU 598 N -4.41 5.25 -4.73 1.67 4.77 0.10 -5.02 117.00 114.63 3hs0 n LEU 598 Ca -0.30 -5.53 -0.30 0.00 -0.03 0.00 0.00 56.01 49.85 3hs0 n LEU 598 Cb 0.68 -0.79 0.13 0.00 -2.33 0.00 0.00 43.42 41.10 3hs0 n LEU 598 CO 0.21 2.17 0.67 -2.16 -1.33 0.00 0.00 177.39 176.96 3hs0 s PRO 599 N -3.45 1.47 -1.24 3.23 0.04 -1.25 -4.72 135.00 129.09 3hs0 s PRO 599 Ca 0.43 0.88 -0.16 0.00 0.04 0.00 0.00 61.00 62.19 3hs0 s PRO 599 Cb 0.21 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.90 3hs0 s PRO 599 CO -0.09 -2.11 2.15 0.00 0.04 0.00 0.00 177.00 176.99 3hs0 n ALA 600 N -3.80 4.88 -3.00 8.56 0.00 -1.26 -4.74 120.51 121.15 3hs0 n ALA 600 Ca 0.07 -3.67 0.00 0.00 0.00 0.00 0.00 53.44 49.84 3hs0 n ALA 600 Cb 0.55 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.44 3hs0 n ALA 600 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hs0 n GLN 601 N 6.30 0.00 -3.17 0.00 10.64 -1.24 -4.47 117.38 125.44 3hs0 n GLN 601 Ca 0.52 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 55.28 3hs0 n GLN 601 Cb 0.39 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.70 3hs0 n GLN 601 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3hs0 s ASP 602 N 1.45 6.49 -0.20 2.61 1.01 -1.26 -1.65 116.67 125.12 3hs0 s ASP 602 Ca 0.00 0.54 -0.07 0.00 0.71 0.00 0.00 52.55 53.72 3hs0 s ASP 602 Cb 0.00 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.58 3hs0 s ASP 602 CO 0.00 -0.36 0.07 -0.63 0.21 0.00 0.00 175.17 174.45 3hs0 s ILE 603 N 2.44 4.70 -0.40 0.77 1.01 -0.63 -4.91 121.20 124.18 3hs0 s ILE 603 Ca 0.24 -0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.54 3hs0 s ILE 603 Cb -0.15 -3.14 0.01 0.00 0.01 0.00 0.00 42.46 39.19 3hs0 s ILE 603 CO 0.10 0.42 1.27 -0.75 0.00 0.00 0.00 174.94 175.98 3hs0 s LYS 604 N 0.69 3.75 0.39 2.79 2.20 -1.26 -0.12 119.74 128.17 3hs0 s LYS 604 Ca 0.04 0.90 0.02 0.00 -0.36 0.00 0.00 55.97 56.57 3hs0 s LYS 604 Cb -0.13 -3.93 -0.01 0.00 -1.51 0.00 0.00 37.83 32.25 3hs0 s LYS 604 CO 0.02 -1.34 0.08 0.00 -0.36 0.00 0.00 175.35 173.75 3hs0 n ALA 605 N 8.05 0.46 -3.52 3.13 0.00 0.06 -4.45 120.51 124.25 3hs0 n ALA 605 Ca 0.14 -1.87 -0.15 0.00 0.00 0.00 0.00 53.44 51.56 3hs0 n ALA 605 Cb 0.48 1.18 -0.07 0.00 0.00 0.00 0.00 19.45 21.03 3hs0 n ALA 605 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3hs0 s LEU 606 N 0.00 -0.44 0.42 0.00 0.05 0.57 -1.63 118.68 117.65 3hs0 s LEU 606 Ca 0.12 1.02 0.04 0.00 0.05 0.00 0.00 54.13 55.35 3hs0 s LEU 606 Cb 0.01 2.26 -0.04 0.00 -2.05 0.00 0.00 46.19 46.36 3hs0 s LEU 606 CO 0.08 -0.37 0.04 0.72 -0.55 0.00 0.00 176.35 176.27 3hs0 s PHE 607 N -0.30 2.05 -0.18 3.48 -0.71 -0.72 -0.59 117.98 121.01 3hs0 s PHE 607 Ca -0.05 -0.95 -0.00 0.00 -1.04 0.00 0.00 56.93 54.89 3hs0 s PHE 607 Cb -0.03 -1.49 0.00 0.00 -1.21 0.00 0.00 43.02 40.29 3hs0 s PHE 607 CO 0.04 0.13 -0.14 0.08 -1.34 0.00 0.00 175.22 173.99 3hs0 s VAL 608 N -2.99 2.63 -0.00 -2.49 1.01 -1.26 -1.77 120.40 115.52 3hs0 s VAL 608 Ca 0.24 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.53 3hs0 s VAL 608 Cb 0.06 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 3hs0 s VAL 608 CO 0.12 0.50 -0.23 -0.55 0.00 0.00 0.00 175.10 174.94 3hs0 s SER 609 N 1.09 2.73 -0.33 3.32 0.15 -1.15 -4.89 113.70 114.62 3hs0 s SER 609 Ca -0.00 -0.45 -0.16 0.00 0.70 0.00 0.00 55.95 56.05 3hs0 s SER 609 Cb -0.14 -0.29 -0.01 0.00 -1.71 0.00 0.00 66.02 63.86 3hs0 s SER 609 CO -0.04 0.27 0.38 -0.70 1.20 0.00 0.00 173.24 174.35 3hs0 s GLU 610 N -0.69 3.63 -0.51 5.44 2.12 -1.26 -2.72 118.70 124.71 3hs0 s GLU 610 Ca 0.09 -0.32 0.03 0.00 0.36 0.00 0.00 54.97 55.14 3hs0 s GLU 610 Cb -0.09 -3.78 0.14 0.00 0.26 0.00 0.00 34.13 30.65 3hs0 s GLU 610 CO -0.00 -0.51 0.27 -1.21 -0.54 0.00 0.00 175.26 173.27 3hs0 s GLU 611 N 2.08 1.79 -0.58 4.30 2.02 -0.92 -4.82 118.70 122.57 3hs0 s GLU 611 Ca 0.13 -2.49 -0.03 0.00 0.02 0.00 0.00 54.97 52.60 3hs0 s GLU 611 Cb -0.16 -3.00 -0.03 0.00 0.10 0.00 0.00 34.13 31.04 3hs0 s GLU 611 CO 0.12 -1.14 0.50 0.39 0.02 0.00 0.00 175.26 175.14 3hs0 n GLU 612 N 3.14 -1.61 -1.34 1.61 1.02 -1.26 -3.78 120.64 118.42 3hs0 n GLU 612 Ca 0.08 0.47 -0.12 0.00 -0.02 0.00 0.00 57.16 57.57 3hs0 n GLU 612 Cb 0.33 -3.92 -0.05 0.00 -0.02 0.00 0.00 31.44 27.79 3hs0 n GLU 612 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3hs0 n LYS 613 N -2.47 -1.40 -4.86 3.49 5.02 -1.26 -4.96 118.16 111.71 3hs0 n LYS 613 Ca -0.06 0.88 -0.26 0.00 -2.02 0.00 0.00 58.31 56.85 3hs0 n LYS 613 Cb 0.57 -5.14 -0.16 0.00 -0.02 0.00 0.00 35.03 30.28 3hs0 n LYS 613 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3hs0 s LYS 614 N -2.87 1.75 -0.16 1.97 1.02 -1.25 -5.09 119.74 115.11 3hs0 s LYS 614 Ca 0.00 -0.63 -0.15 0.00 0.02 0.00 0.00 55.97 55.21 3hs0 s LYS 614 Cb 0.00 -1.55 -0.04 0.00 -0.52 0.00 0.00 37.83 35.71 3hs0 s LYS 614 CO 0.00 0.28 0.33 -0.51 -0.92 0.00 0.00 175.35 174.53 3hs0 s LEU 615 N -0.07 4.23 -0.00 3.17 1.43 -1.26 -2.17 118.68 124.01 3hs0 s LEU 615 Ca -0.02 0.54 0.04 0.00 -1.03 0.00 0.00 54.13 53.67 3hs0 s LEU 615 Cb -0.11 -2.43 -0.01 0.00 0.03 0.00 0.00 46.19 43.67 3hs0 s LEU 615 CO 0.02 0.06 -0.13 -0.89 0.23 0.00 0.00 176.35 175.63 3hs0 s THR 616 N 0.63 1.04 -0.52 5.49 2.01 -1.10 -4.96 115.64 118.23 3hs0 s THR 616 Ca 0.18 -0.64 -0.28 0.00 0.31 0.00 0.00 61.69 61.26 3hs0 s THR 616 Cb -0.13 -0.88 0.03 0.00 0.01 0.00 0.00 72.50 71.52 3hs0 s THR 616 CO 0.05 0.24 1.12 -0.13 -0.69 0.00 0.00 174.62 175.22 3hs0 s ARG 617 N -0.46 3.59 -0.18 4.92 0.52 -1.26 -2.93 118.95 123.16 3hs0 s ARG 617 Ca 0.04 0.34 -0.21 0.00 -0.52 0.00 0.00 55.73 55.38 3hs0 s ARG 617 Cb -0.06 -3.96 -0.03 0.00 0.52 0.00 0.00 34.95 31.42 3hs0 s ARG 617 CO -0.00 -1.49 0.62 0.15 0.02 0.00 0.00 175.30 174.60 3hs0 s LYS 618 N 4.55 4.24 -0.31 3.54 -0.14 -0.73 -4.96 119.74 125.93 3hs0 s LYS 618 Ca 0.44 0.63 -0.17 0.00 -1.36 0.00 0.00 55.97 55.50 3hs0 s LYS 618 Cb -0.08 -3.56 -0.02 0.00 -1.68 0.00 0.00 37.83 32.50 3hs0 s LYS 618 CO 0.28 -0.18 0.49 -2.00 -0.76 0.00 0.00 175.35 173.18 3hs0 s GLU 619 N 1.71 3.83 0.38 1.68 2.12 -1.26 -1.76 118.70 125.41 3hs0 s GLU 619 Ca 0.29 0.03 0.05 0.00 0.36 0.00 0.00 54.97 55.70 3hs0 s GLU 619 Cb -0.16 -3.73 -0.06 0.00 0.26 0.00 0.00 34.13 30.43 3hs0 s GLU 619 CO 0.11 -0.49 0.04 0.14 -0.54 0.00 0.00 175.26 174.52 3hs0 s VAL 620 N 2.31 1.53 -0.11 3.70 -7.23 -0.65 -4.41 120.40 115.54 3hs0 s VAL 620 Ca 0.19 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.39 3hs0 s VAL 620 Cb -0.16 -2.81 0.00 0.00 0.56 0.00 0.00 36.38 33.98 3hs0 s VAL 620 CO 0.11 0.00 -0.23 -0.31 -0.31 0.00 0.00 175.10 174.37 3hs0 s TYR 621 N -2.99 2.55 -0.51 2.82 2.02 -1.26 -0.76 117.35 119.23 3hs0 s TYR 621 Ca 0.32 -1.14 -0.29 0.00 -0.37 0.00 0.00 57.07 55.59 3hs0 s TYR 621 Cb 0.08 -1.72 0.03 0.00 -0.40 0.00 0.00 41.96 39.95 3hs0 s TYR 621 CO 0.16 -0.49 1.19 0.42 -1.57 0.00 0.00 175.55 175.25 3hs0 s ILE 622 N 0.55 4.11 -0.69 2.71 1.01 0.83 -4.19 121.20 125.53 3hs0 s ILE 622 Ca -0.14 1.09 -0.26 0.00 0.00 0.00 0.00 60.65 61.34 3hs0 s ILE 622 Cb -0.17 -4.61 -0.01 0.00 0.01 0.00 0.00 42.46 37.69 3hs0 s ILE 622 CO 0.04 -1.10 1.72 -0.54 0.00 0.00 0.00 174.94 175.06 3hs0 s LYS 623 N 4.68 2.79 0.00 2.79 -0.14 -0.22 -1.61 119.74 128.04 3hs0 s LYS 623 Ca 0.48 0.23 0.00 0.00 -1.36 0.00 0.00 55.97 55.31 3hs0 s LYS 623 Cb -0.08 -4.46 0.00 0.00 -1.68 0.00 0.00 37.83 31.61 3hs0 s LYS 623 CO 0.30 -2.65 0.84 -1.71 -0.76 0.00 0.00 175.35 171.37 3hs0 n ASN 624 N 11.93 1.53 0.00 2.83 5.15 -0.66 -4.25 115.26 131.79 3hs0 n ASN 624 Ca 0.19 -1.70 0.00 0.00 -0.60 0.00 0.00 54.58 52.47 3hs0 n ASN 624 Cb 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.76 3hs0 n ASN 624 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hs0 n GLY 625 N -0.35 1.20 0.26 8.20 0.00 -0.88 -3.60 105.19 110.01 3hs0 n GLY 625 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 3hs0 n GLY 625 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3hs0 h ASP 626 N 0.00 0.00 0.55 1.61 2.03 -1.90 -2.77 116.42 115.94 3hs0 h ASP 626 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3hs0 h ASP 626 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3hs0 h ASP 626 CO 0.00 0.11 -0.22 0.29 -1.03 0.00 0.00 179.24 178.40 3hs0 n LYS 627 N -3.30 0.32 0.05 4.15 5.02 -1.26 -4.13 118.16 119.01 3hs0 n LYS 627 Ca -0.00 -0.13 0.01 0.00 -2.02 0.00 0.00 58.31 56.17 3hs0 n LYS 627 Cb 0.33 -1.50 0.33 0.00 -0.02 0.00 0.00 35.03 34.17 3hs0 n LYS 627 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3hs0 h LYS 628 N 0.31 0.40 -0.55 1.97 3.64 -1.67 -2.46 116.57 118.22 3hs0 h LYS 628 Ca 0.00 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 3hs0 h LYS 628 Cb 0.45 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3hs0 h LYS 628 CO 0.00 0.49 0.19 0.78 -2.27 0.00 0.00 179.45 178.65 3hs0 h GLY 629 N 0.82 0.90 1.98 5.01 0.00 -1.79 -3.03 103.07 106.95 3hs0 h GLY 629 Ca 0.08 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 3hs0 h GLY 629 CO 0.02 0.48 -0.22 1.48 0.00 0.00 0.00 176.54 178.30 3hs0 h SER 630 N 0.75 0.00 -0.16 0.19 4.64 -1.78 -2.99 113.55 114.20 3hs0 h SER 630 Ca 0.18 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.46 3hs0 h SER 630 Cb 0.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3hs0 h SER 630 CO -0.01 0.20 -0.04 0.00 -0.87 0.00 0.00 176.83 176.10 3hs0 h GLU 632 N 0.00 0.94 -0.02 0.00 5.08 -1.57 -3.07 114.58 115.93 3hs0 h GLU 632 Ca 0.04 -0.32 0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3hs0 h GLU 632 Cb 0.48 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3hs0 h GLU 632 CO 0.02 0.98 0.15 0.00 -1.00 0.00 0.00 179.01 179.16 3hs0 h ARG 633 N 0.85 0.00 0.00 2.33 3.08 -1.51 0.51 114.38 119.64 3hs0 h ARG 633 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3hs0 h ARG 633 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3hs0 h ARG 633 CO 0.04 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.69 3hs0 n ASP 634 N -3.11 0.00 0.07 7.04 8.00 -1.16 -3.68 116.55 123.70 3hs0 n ASP 634 Ca -0.02 -1.31 -0.06 0.00 0.71 0.00 0.00 54.79 54.11 3hs0 n ASP 634 Cb 0.22 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.41 3hs0 n ASP 634 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hs0 h ALA 635 N 2.64 0.77 0.00 2.24 0.00 -1.12 -3.16 119.26 120.63 3hs0 h ALA 635 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3hs0 h ALA 635 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hs0 h ALA 635 CO 0.00 0.74 0.00 0.00 0.00 0.00 0.00 179.25 179.99 3hs0 n GLN 636 N -3.87 0.96 0.04 0.00 10.64 -1.24 -2.01 117.38 121.90 3hs0 n GLN 636 Ca -0.03 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.26 3hs0 n GLN 636 Cb 0.64 -1.50 0.04 0.00 -0.86 0.00 0.00 30.24 28.56 3hs0 n GLN 636 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3hs0 n TYR 637 N -1.00 0.37 -2.21 2.61 4.01 -1.19 -4.57 117.16 115.18 3hs0 n TYR 637 Ca 0.23 0.11 -0.40 0.00 -0.16 0.00 0.00 57.90 57.67 3hs0 n TYR 637 Cb 0.11 -0.53 -0.03 0.00 -0.31 0.00 0.00 39.34 38.59 3hs0 n TYR 637 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hs0 s ALA 638 N -3.22 3.46 0.26 -0.72 0.00 -0.85 -4.94 121.76 115.74 3hs0 s ALA 638 Ca 0.03 1.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.87 3hs0 s ALA 638 Cb 0.14 -3.44 -0.15 0.00 0.00 0.00 0.00 23.12 19.67 3hs0 s ALA 638 CO 0.79 -0.53 0.99 -2.30 0.00 0.00 0.00 175.76 174.71 3hs0 n PRO 639 N 0.85 1.16 0.00 0.00 -0.02 -1.26 -2.32 135.00 133.41 3hs0 n PRO 639 Ca -0.00 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3hs0 n PRO 639 Cb 0.43 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 3hs0 n PRO 639 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hs0 n GLY 640 N 1.47 2.67 0.97 -1.23 0.00 -1.26 -4.86 105.19 102.96 3hs0 n GLY 640 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3hs0 n GLY 640 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hs0 n TYR 641 N 0.00 0.63 0.16 1.61 4.01 -0.98 -4.27 117.16 118.31 3hs0 n TYR 641 Ca 0.00 -0.33 0.08 0.00 -0.16 0.00 0.00 57.90 57.50 3hs0 n TYR 641 Cb 0.00 -0.26 0.44 0.00 -0.31 0.00 0.00 39.34 39.21 3hs0 n TYR 641 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3hs0 n ASP 642 N 0.15 0.43 -0.50 7.72 9.92 -1.26 -1.19 116.55 131.81 3hs0 n ASP 642 Ca 0.09 0.69 0.08 0.00 -0.53 0.00 0.00 54.79 55.12 3hs0 n ASP 642 Cb 0.57 -0.75 0.03 0.00 -0.64 0.00 0.00 41.12 40.34 3hs0 n ASP 642 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3hs0 n LYS 643 N -2.06 1.53 -2.29 -1.24 5.02 -1.26 -4.99 118.16 112.87 3hs0 n LYS 643 Ca -0.01 -1.12 -0.42 0.00 -2.02 0.00 0.00 58.31 54.74 3hs0 n LYS 643 Cb 0.05 -1.29 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 3hs0 n LYS 643 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hs0 s VAL 644 N -1.66 3.50 -0.14 -0.18 1.01 -0.33 -4.97 120.40 117.63 3hs0 s VAL 644 Ca 0.16 1.16 -0.15 0.00 0.00 0.00 0.00 61.98 63.15 3hs0 s VAL 644 Cb 0.13 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 3hs0 s VAL 644 CO 0.31 0.14 -0.30 0.29 0.00 0.00 0.00 175.10 175.54 3hs0 n LYS 645 N 3.19 0.46 -3.80 2.72 5.02 -1.26 -4.92 118.16 119.57 3hs0 n LYS 645 Ca 0.08 0.18 -0.37 0.00 -2.02 0.00 0.00 58.31 56.18 3hs0 n LYS 645 Cb 0.44 -1.30 -0.13 0.00 -0.02 0.00 0.00 35.03 34.02 3hs0 n LYS 645 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3hs0 s ASP 646 N -5.93 4.95 0.41 4.39 -1.08 -1.26 -4.99 116.67 113.16 3hs0 s ASP 646 Ca -0.25 -0.62 0.26 0.00 -0.52 0.00 0.00 52.55 51.43 3hs0 s ASP 646 Cb 0.04 -1.85 1.43 0.00 -1.46 0.00 0.00 42.92 41.08 3hs0 s ASP 646 CO 0.37 -0.14 1.80 0.16 0.52 0.00 0.00 175.17 177.87 3hs0 h ILE 647 N 5.83 0.00 0.00 4.11 3.07 -1.96 0.17 117.51 128.72 3hs0 h ILE 647 Ca -0.34 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.07 3hs0 h ILE 647 Cb 1.14 0.58 0.00 0.00 -0.27 0.00 0.00 36.82 38.27 3hs0 h ILE 647 CO 0.60 0.00 0.00 0.77 -1.05 0.00 0.00 178.15 178.47 3hs0 h SER 648 N 0.00 0.00 -0.45 2.16 4.64 -1.94 0.16 113.55 118.11 3hs0 h SER 648 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3hs0 h SER 648 Cb 0.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 3hs0 h SER 648 CO 0.00 0.00 0.11 -0.33 -0.87 0.00 0.00 176.83 175.74 3hs0 h GLU 649 N 0.00 0.72 0.00 4.77 5.08 -1.09 -3.36 114.58 120.70 3hs0 h GLU 649 Ca 0.00 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3hs0 h GLU 649 Cb 0.07 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3hs0 h GLU 649 CO 0.00 0.72 -0.88 1.33 -1.00 0.00 0.00 179.01 179.18 3hs0 n VAL 650 N -4.51 0.00 -3.74 3.13 0.24 -0.61 -4.85 118.33 107.99 3hs0 n VAL 650 Ca 0.01 -0.25 -0.38 0.00 -2.04 0.00 0.00 64.34 61.67 3hs0 n VAL 650 Cb 0.21 0.67 -0.12 0.00 -1.47 0.00 0.00 33.84 33.13 3hs0 n VAL 650 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3hs0 s VAL 651 N -2.19 3.84 0.40 3.34 1.01 0.46 -4.82 120.40 122.44 3hs0 s VAL 651 Ca 0.00 -1.13 0.08 0.00 0.00 0.00 0.00 61.98 60.93 3hs0 s VAL 651 Cb 0.06 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 3hs0 s VAL 651 CO 0.36 -0.19 0.40 0.42 0.00 0.00 0.00 175.10 176.09 3hs0 s THR 652 N 1.41 2.89 -2.00 3.92 -4.23 -1.26 -4.43 115.64 111.94 3hs0 s THR 652 Ca -0.01 -1.28 0.04 0.00 -1.18 0.00 0.00 61.69 59.26 3hs0 s THR 652 Cb -0.20 -3.04 0.11 0.00 1.34 0.00 0.00 72.50 70.72 3hs0 s THR 652 CO 0.03 -0.03 0.59 -2.65 -0.54 0.00 0.00 174.62 172.02 3hs0 n PRO 653 N -1.57 0.26 0.04 3.99 -0.02 -1.26 -1.99 135.00 134.45 3hs0 n PRO 653 Ca 0.03 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.63 3hs0 n PRO 653 Cb 0.61 -1.24 0.06 0.00 -0.02 0.00 0.00 33.50 32.91 3hs0 n PRO 653 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hs0 n ARG 654 N -0.74 0.34 -3.53 -0.52 3.00 -1.26 -4.94 116.66 109.01 3hs0 n ARG 654 Ca 0.03 0.03 -0.38 0.00 -0.01 0.00 0.00 57.85 57.52 3hs0 n ARG 654 Cb 0.01 -1.65 -0.06 0.00 0.00 0.00 0.00 32.46 30.77 3hs0 n ARG 654 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3hs0 s PHE 655 N -3.22 3.71 0.37 -1.55 0.08 -0.84 0.76 117.98 117.30 3hs0 s PHE 655 Ca 0.04 0.95 0.07 0.00 0.12 0.00 0.00 56.93 58.11 3hs0 s PHE 655 Cb 0.13 -2.26 -0.00 0.00 -0.57 0.00 0.00 43.02 40.32 3hs0 s PHE 655 CO 0.78 0.64 0.50 -0.51 -0.10 0.00 0.00 175.22 176.54 3hs0 s LEU 656 N -1.04 3.82 -0.02 -0.37 1.43 0.21 -4.82 118.68 117.89 3hs0 s LEU 656 Ca 0.23 -0.31 -0.00 0.00 -1.03 0.00 0.00 54.13 53.02 3hs0 s LEU 656 Cb -0.16 -2.68 0.03 0.00 0.03 0.00 0.00 46.19 43.41 3hs0 s LEU 656 CO 0.12 -0.57 0.03 0.00 0.23 0.00 0.00 176.35 176.17 3hs0 s THR 658 N 1.27 0.68 0.00 0.00 -4.23 0.17 -1.05 115.64 112.47 3hs0 s THR 658 Ca -0.07 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 3hs0 s THR 658 Cb -0.13 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.26 3hs0 s THR 658 CO -0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 3hs0 n GLY 659 N -0.83 0.22 1.40 3.99 0.00 -1.26 0.07 105.19 108.77 3hs0 n GLY 659 Ca -0.05 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.04 3hs0 n GLY 659 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hs0 n GLY 660 N 0.23 -1.77 1.04 -0.02 0.00 -1.22 -4.73 105.19 98.72 3hs0 n GLY 660 Ca 0.00 -1.92 0.02 0.00 0.00 0.00 0.00 46.02 44.12 3hs0 n GLY 660 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hs0 n VAL 661 N 0.00 1.72 -3.66 1.61 0.24 -1.25 -1.46 118.33 115.52 3hs0 n VAL 661 Ca 0.00 -2.84 -0.08 0.00 -2.04 0.00 0.00 64.34 59.37 3hs0 n VAL 661 Cb 0.00 -0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.27 3hs0 n VAL 661 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3hs0 s SER 662 N -3.03 -0.36 0.17 -1.34 0.15 -1.26 -4.24 113.70 103.79 3hs0 s SER 662 Ca 0.38 1.03 -0.05 0.00 0.70 0.00 0.00 55.95 58.00 3hs0 s SER 662 Cb 0.38 1.32 0.06 0.00 -1.71 0.00 0.00 66.02 66.07 3hs0 s SER 662 CO -0.08 -0.23 1.48 -0.65 1.20 0.00 0.00 173.24 174.97 3hs0 h PRO 663 N 7.98 0.65 -5.49 5.44 0.11 -1.94 -3.49 132.00 135.26 3hs0 h PRO 663 Ca -0.19 -0.41 -0.55 0.00 0.11 0.00 0.00 66.00 64.96 3hs0 h PRO 663 Cb 1.12 0.05 -0.13 0.00 0.11 0.00 0.00 31.00 32.14 3hs0 h PRO 663 CO 0.15 1.02 -0.62 0.71 -0.21 0.00 0.00 178.00 179.05 3hs0 s TYR 664 N -4.05 2.21 -0.44 0.65 2.02 -1.26 -4.92 117.35 111.56 3hs0 s TYR 664 Ca -0.08 -0.77 -0.29 0.00 -0.37 0.00 0.00 57.07 55.56 3hs0 s TYR 664 Cb 0.11 -1.45 0.02 0.00 -0.40 0.00 0.00 41.96 40.24 3hs0 s TYR 664 CO 0.85 0.26 1.25 0.00 -1.57 0.00 0.00 175.55 176.35 3hs0 s ALA 665 N -2.98 3.12 0.04 3.71 0.00 -1.26 -3.93 121.76 120.46 3hs0 s ALA 665 Ca 0.35 -0.32 -0.14 0.00 0.00 0.00 0.00 51.96 51.84 3hs0 s ALA 665 Cb 0.08 -3.91 -0.06 0.00 0.00 0.00 0.00 23.12 19.23 3hs0 s ALA 665 CO 0.16 -2.28 0.43 -0.51 0.00 0.00 0.00 175.76 173.56 3hs0 s ASP 666 N 3.05 6.80 0.80 0.00 1.01 -0.53 -5.00 116.67 122.80 3hs0 s ASP 666 Ca 0.54 0.97 -0.13 0.00 0.71 0.00 0.00 52.55 54.64 3hs0 s ASP 666 Cb -0.10 -2.25 0.08 0.00 1.01 0.00 0.00 42.92 41.65 3hs0 s ASP 666 CO 0.31 0.27 1.17 -2.16 0.21 0.00 0.00 175.17 174.98 3hs0 s PRO 667 N -1.33 1.78 0.23 8.23 0.04 -1.26 -4.49 135.00 138.21 3hs0 s PRO 667 Ca 0.27 1.62 0.09 0.00 0.04 0.00 0.00 61.00 63.03 3hs0 s PRO 667 Cb -0.16 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 3hs0 s PRO 667 CO 0.15 -2.08 -0.04 -0.80 0.04 0.00 0.00 177.00 174.27 3hs0 s ASN 668 N -2.41 4.42 1.03 6.66 -0.87 -1.26 -4.73 114.94 117.77 3hs0 s ASN 668 Ca 0.70 -0.63 -0.16 0.00 -1.57 0.00 0.00 52.86 51.21 3hs0 s ASN 668 Cb -0.26 -0.79 0.21 0.00 -0.02 0.00 0.00 41.25 40.40 3hs0 s ASN 668 CO 0.51 0.04 1.21 0.42 -2.57 0.00 0.00 177.10 176.71 3hs0 s THR 669 N -2.09 1.87 0.39 1.60 -4.23 -1.26 -5.07 115.64 106.85 3hs0 s THR 669 Ca 0.29 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.84 3hs0 s THR 669 Cb -0.07 -2.78 -0.04 0.00 1.34 0.00 0.00 72.50 70.94 3hs0 s THR 669 CO 0.18 0.00 0.07 0.00 -0.54 0.00 0.00 174.62 174.33 3hs0 h ARG 671 N 1.87 0.96 0.00 0.00 3.08 -1.97 -2.02 114.38 116.30 3hs0 h ARG 671 Ca -0.39 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3hs0 h ARG 671 Cb 1.26 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3hs0 h ARG 671 CO 0.66 0.70 0.00 0.78 -1.07 0.00 0.00 179.97 181.05 3hs0 h GLY 672 N 1.02 0.00 0.26 0.04 0.00 -1.96 -2.51 103.07 99.92 3hs0 h GLY 672 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3hs0 h GLY 672 CO -0.04 0.00 -1.32 1.22 0.00 0.00 0.00 176.54 176.40 3hs0 n ASP 673 N -2.37 0.53 -4.64 0.19 8.00 -0.87 -4.31 116.55 113.08 3hs0 n ASP 673 Ca 0.03 -0.34 -0.49 0.00 0.71 0.00 0.00 54.79 54.70 3hs0 n ASP 673 Cb 0.28 1.21 -0.05 0.00 -0.02 0.00 0.00 41.12 42.54 3hs0 n ASP 673 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3hs0 n SER 674 N -1.95 2.46 0.00 -2.24 2.88 -0.82 -1.05 113.62 112.90 3hs0 n SER 674 Ca 0.01 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 3hs0 n SER 674 Cb 0.45 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 3hs0 n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hs0 n GLY 675 N 3.10 3.29 3.53 0.46 0.00 0.97 -1.26 105.19 115.28 3hs0 n GLY 675 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 3hs0 n GLY 675 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hs0 s GLY 676 N -2.93 1.58 0.22 -0.02 0.00 -0.21 -3.85 107.32 102.10 3hs0 s GLY 676 Ca 0.00 0.04 -0.28 0.00 0.00 0.00 0.00 44.72 44.48 3hs0 s GLY 676 CO 0.00 0.68 0.88 -4.14 0.00 0.00 0.00 173.10 170.53 3hs0 s PRO 677 N -4.51 4.72 -0.45 2.90 0.02 -1.26 -0.55 135.00 135.86 3hs0 s PRO 677 Ca 0.68 1.35 -0.14 0.00 0.02 0.00 0.00 61.00 62.90 3hs0 s PRO 677 Cb -0.24 -3.21 0.06 0.00 0.02 0.00 0.00 34.50 31.13 3hs0 s PRO 677 CO 0.63 0.51 0.35 -1.17 -0.33 0.00 0.00 177.00 176.98 3hs0 s LEU 678 N -1.29 5.40 0.05 -5.54 2.96 -0.17 -4.31 118.68 115.78 3hs0 s LEU 678 Ca 0.40 -1.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.08 3hs0 s LEU 678 Cb -0.24 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 3hs0 s LEU 678 CO 0.29 -0.57 0.15 -0.63 -1.32 0.00 0.00 176.35 174.26 3hs0 s ILE 679 N 1.62 5.04 -0.13 6.68 1.01 0.25 -1.46 121.20 134.20 3hs0 s ILE 679 Ca 0.04 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.21 3hs0 s ILE 679 Cb -0.23 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 3hs0 s ILE 679 CO 0.07 0.19 -0.14 -0.69 0.00 0.00 0.00 174.94 174.36 3hs0 s VAL 680 N -1.41 2.94 -1.02 2.92 1.01 -0.24 -0.32 120.40 124.29 3hs0 s VAL 680 Ca 0.31 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 3hs0 s VAL 680 Cb -0.13 -2.23 0.25 0.00 0.00 0.00 0.00 36.38 34.28 3hs0 s VAL 680 CO 0.23 0.53 0.98 -2.28 0.00 0.00 0.00 175.10 174.55 3hs0 s HIS 681 N 0.37 4.13 -0.04 5.22 2.46 -1.26 -2.10 115.29 124.06 3hs0 s HIS 681 Ca -0.12 -2.86 0.02 0.00 0.47 0.00 0.00 55.06 52.58 3hs0 s HIS 681 Cb -0.16 -3.58 -0.03 0.00 -0.13 0.00 0.00 32.58 28.68 3hs0 s HIS 681 CO 0.06 -0.86 -0.09 0.21 -2.47 0.00 0.00 174.74 171.60 3hs0 s LYS 682 N -1.34 2.62 -1.40 2.88 2.20 -0.96 -4.67 119.74 119.06 3hs0 s LYS 682 Ca 0.30 -0.65 -0.06 0.00 -0.36 0.00 0.00 55.97 55.20 3hs0 s LYS 682 Cb -0.09 -2.51 0.00 0.00 -1.51 0.00 0.00 37.83 33.73 3hs0 s LYS 682 CO -0.10 0.63 0.36 0.54 -0.36 0.00 0.00 175.35 176.42 3hs0 n ARG 683 N 2.00 -2.05 -1.95 4.03 5.12 -1.26 -1.77 116.66 120.79 3hs0 n ARG 683 Ca -0.17 0.28 -0.20 0.00 -1.93 0.00 0.00 57.85 55.83 3hs0 n ARG 683 Cb 0.53 -3.99 -0.05 0.00 -1.16 0.00 0.00 32.46 27.79 3hs0 n ARG 683 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3hs0 n SER 684 N -2.84 -5.58 -4.13 0.55 7.64 -1.26 -4.92 113.62 103.08 3hs0 n SER 684 Ca -0.27 0.26 -0.09 0.00 1.01 0.00 0.00 58.87 59.78 3hs0 n SER 684 Cb 0.67 -4.74 -0.10 0.00 -1.01 0.00 0.00 64.21 59.03 3hs0 n SER 684 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3hs0 s ARG 685 N -4.30 0.79 -0.32 1.43 1.81 -0.73 -4.83 118.95 112.80 3hs0 s ARG 685 Ca 0.00 -1.34 -0.01 0.00 -1.72 0.00 0.00 55.73 52.66 3hs0 s ARG 685 Cb 0.00 0.18 0.06 0.00 -0.45 0.00 0.00 34.95 34.75 3hs0 s ARG 685 CO 0.00 -0.18 0.04 -0.06 -0.68 0.00 0.00 175.30 174.42 3hs0 s PHE 686 N -3.95 3.36 -0.20 -0.53 0.08 -0.95 -2.25 117.98 113.54 3hs0 s PHE 686 Ca 0.16 -2.06 -0.05 0.00 0.12 0.00 0.00 56.93 55.09 3hs0 s PHE 686 Cb 0.08 -2.36 -0.03 0.00 -0.57 0.00 0.00 43.02 40.14 3hs0 s PHE 686 CO -0.04 -0.85 0.00 0.42 -0.10 0.00 0.00 175.22 174.66 3hs0 s ILE 687 N 1.20 4.00 -0.06 0.64 1.09 -0.89 -3.21 121.20 123.97 3hs0 s ILE 687 Ca -0.02 -0.30 -0.30 0.00 -1.10 0.00 0.00 60.65 58.94 3hs0 s ILE 687 Cb -0.20 -2.81 -0.02 0.00 -1.06 0.00 0.00 42.46 38.37 3hs0 s ILE 687 CO -0.02 0.43 1.01 -1.58 -0.10 0.00 0.00 174.94 174.68 3hs0 s GLN 688 N 0.95 4.47 -0.01 2.79 0.74 -0.82 -1.08 119.66 126.72 3hs0 s GLN 688 Ca 0.01 1.42 0.09 0.00 0.05 0.00 0.00 55.36 56.94 3hs0 s GLN 688 Cb -0.14 -3.51 -0.12 0.00 1.10 0.00 0.00 33.01 30.34 3hs0 s GLN 688 CO 0.02 -0.22 0.28 1.33 -0.55 0.00 0.00 175.29 176.15 3hs0 n VAL 689 N 4.29 0.00 -3.96 1.34 0.24 -0.53 -4.04 118.33 115.67 3hs0 n VAL 689 Ca 0.08 -0.25 -0.09 0.00 -2.04 0.00 0.00 64.34 62.04 3hs0 n VAL 689 Cb 0.49 0.61 -0.04 0.00 -1.47 0.00 0.00 33.84 33.43 3hs0 n VAL 689 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3hs0 s GLY 690 N -2.51 0.45 -0.12 7.63 0.00 -1.08 -1.68 107.32 110.01 3hs0 s GLY 690 Ca -0.00 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 43.95 3hs0 s GLY 690 CO 0.37 -0.52 -0.18 0.14 0.00 0.00 0.00 173.10 172.91 3hs0 s VAL 691 N -3.85 1.75 -0.00 1.40 1.01 -0.50 -1.00 120.40 119.21 3hs0 s VAL 691 Ca 0.20 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 3hs0 s VAL 691 Cb -0.02 -1.56 -0.08 0.00 0.00 0.00 0.00 36.38 34.72 3hs0 s VAL 691 CO 0.09 0.49 1.85 -0.63 0.00 0.00 0.00 175.10 176.90 3hs0 s ILE 692 N 0.87 3.24 0.00 2.22 1.01 0.28 -0.64 121.20 128.19 3hs0 s ILE 692 Ca -0.08 0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.87 3hs0 s ILE 692 Cb -0.15 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.13 3hs0 s ILE 692 CO -0.01 -0.03 0.00 -0.24 0.00 0.00 0.00 174.94 174.66 3hs0 n SER 693 N 7.40 0.00 -4.34 3.58 2.88 -0.75 -0.02 113.62 122.37 3hs0 n SER 693 Ca 0.19 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.56 3hs0 n SER 693 Cb 0.42 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.77 3hs0 n SER 693 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3hs0 s TRP 694 N 0.00 1.59 0.20 0.66 1.48 -1.02 -4.75 118.94 117.09 3hs0 s TRP 694 Ca 0.00 -0.92 0.07 0.00 -1.06 0.00 0.00 56.10 54.19 3hs0 s TRP 694 Cb 0.00 -0.92 -0.05 0.00 -1.16 0.00 0.00 33.47 31.34 3hs0 s TRP 694 CO 0.00 -0.03 -0.13 0.20 -4.06 0.00 0.00 176.95 172.93 3hs0 s GLY 695 N -3.32 1.38 0.22 3.67 0.00 -1.26 0.14 107.32 108.16 3hs0 s GLY 695 Ca 0.29 -1.64 0.22 0.00 0.00 0.00 0.00 44.72 43.59 3hs0 s GLY 695 CO 0.09 -1.73 1.10 -2.08 0.00 0.00 0.00 173.10 170.48 3hs0 h VAL 696 N 2.59 0.03 -3.07 1.40 2.07 -1.68 -3.46 116.25 114.14 3hs0 h VAL 696 Ca -0.38 -1.07 -0.23 0.00 0.82 0.00 0.00 66.70 65.85 3hs0 h VAL 696 Cb 1.22 1.60 -0.32 0.00 -1.52 0.00 0.00 31.29 32.26 3hs0 h VAL 696 CO 0.62 0.02 -0.55 -0.69 0.02 0.00 0.00 177.57 177.00 3hs0 s VAL 697 N -3.32 -0.15 -0.71 2.57 1.01 -1.26 -4.14 120.40 114.41 3hs0 s VAL 697 Ca 0.00 0.21 -0.26 0.00 0.00 0.00 0.00 61.98 61.94 3hs0 s VAL 697 Cb 0.09 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 3hs0 s VAL 697 CO 0.78 0.09 1.86 -0.62 0.00 0.00 0.00 175.10 177.21 3hs0 s ASP 698 N 1.61 5.28 0.00 3.32 2.15 -1.26 -4.76 116.67 123.01 3hs0 s ASP 698 Ca -0.05 -0.03 0.27 0.00 0.43 0.00 0.00 52.55 53.17 3hs0 s ASP 698 Cb -0.11 -2.54 0.85 0.00 -0.30 0.00 0.00 42.92 40.82 3hs0 s ASP 698 CO -0.07 -2.46 1.63 0.55 -0.17 0.00 0.00 175.17 174.65 3hs0 n VAL 699 N 7.38 0.00 -3.56 1.11 3.14 -1.26 -4.88 118.33 120.26 3hs0 n VAL 699 Ca 0.26 -0.28 -0.38 0.00 -2.96 0.00 0.00 64.34 60.98 3hs0 n VAL 699 Cb 0.50 0.68 -0.06 0.00 -1.06 0.00 0.00 33.84 33.90 3hs0 n VAL 699 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3hs0 n LYS 701 N 1.85 0.66 0.00 0.00 5.02 -1.26 -4.95 118.16 119.48 3hs0 n LYS 701 Ca -0.15 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 3hs0 n LYS 701 Cb 0.53 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 3hs0 n LYS 701 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3hs0 n ASN 702 N -3.68 0.00 0.00 4.39 5.15 -1.26 -5.04 115.26 114.82 3hs0 n ASN 702 Ca -0.43 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.55 3hs0 n ASN 702 Cb 0.94 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.19 3hs0 n ASN 702 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 3hs0 n GLN 703 N 0.00 0.00 0.00 1.20 0.00 -1.26 -4.70 117.38 112.62 3hs0 n GLN 703 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 3hs0 n GLN 703 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3hs0 n GLN 703 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 3hs0 n LYS 704 N 0.00 0.00 0.00 3.69 4.81 -1.26 -5.02 118.16 120.38 3hs0 n LYS 704 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3hs0 n LYS 704 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3hs0 n LYS 704 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3hs0 n ARG 705 N 0.00 0.00 0.00 1.64 3.00 -1.26 -4.59 116.66 115.45 3hs0 n ARG 705 Ca 0.00 0.41 0.00 0.00 -0.01 0.00 0.00 57.85 58.25 3hs0 n ARG 705 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 32.46 31.77 3hs0 n ARG 705 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 3hs0 n GLN 706 N -1.60 0.00 0.06 5.56 1.13 -1.26 -3.83 117.38 117.45 3hs0 n GLN 706 Ca 0.00 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.04 3hs0 n GLN 706 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.28 3hs0 n GLN 706 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 3hs0 h LYS 707 N 0.00 0.00 -6.03 -1.09 1.57 -2.01 -3.49 116.57 105.52 3hs0 h LYS 707 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 3hs0 h LYS 707 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 3hs0 h LYS 707 CO 0.00 0.52 -0.42 -0.65 -0.57 0.00 0.00 179.45 178.33 3hs0 s GLN 708 N -2.84 3.51 0.06 3.15 -0.21 -1.25 -5.10 119.66 116.98 3hs0 s GLN 708 Ca -0.00 -0.30 0.07 0.00 0.02 0.00 0.00 55.36 55.14 3hs0 s GLN 708 Cb 0.08 -2.95 -0.03 0.00 1.00 0.00 0.00 33.01 31.11 3hs0 s GLN 708 CO 0.79 0.54 -0.19 0.08 -2.12 0.00 0.00 175.29 174.40 3hs0 s VAL 709 N -1.59 1.53 0.53 1.09 1.01 -1.26 -5.11 120.40 116.59 3hs0 s VAL 709 Ca 0.38 -1.23 -0.19 0.00 0.00 0.00 0.00 61.98 60.93 3hs0 s VAL 709 Cb -0.13 -1.36 -0.10 0.00 0.00 0.00 0.00 36.38 34.80 3hs0 s VAL 709 CO 0.27 0.09 0.55 -2.65 0.00 0.00 0.00 175.10 173.35 3hs0 n PRO 710 N 1.67 0.57 0.26 2.72 -0.02 -1.26 -4.86 135.00 134.09 3hs0 n PRO 710 Ca -0.18 0.22 0.17 0.00 -2.02 0.00 0.00 63.50 61.68 3hs0 n PRO 710 Cb 0.54 -1.67 0.64 0.00 -0.02 0.00 0.00 33.50 32.98 3hs0 n PRO 710 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hs0 h ALA 711 N 0.44 1.00 -0.02 3.55 0.00 -1.99 -2.97 119.26 119.27 3hs0 h ALA 711 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3hs0 h ALA 711 Cb 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3hs0 h ALA 711 CO 0.48 0.00 0.00 -2.39 0.00 0.00 0.00 179.25 177.34 3hs0 n HIS 712 N -3.04 0.01 -2.41 0.00 1.44 -1.26 -4.34 115.22 105.62 3hs0 n HIS 712 Ca 0.01 -0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.34 3hs0 n HIS 712 Cb 0.32 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.41 3hs0 n HIS 712 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hs0 s ALA 713 N -1.99 2.73 0.51 1.59 0.00 -1.12 -4.78 121.76 118.70 3hs0 s ALA 713 Ca 0.37 -2.55 0.02 0.00 0.00 0.00 0.00 51.96 49.80 3hs0 s ALA 713 Cb 0.21 -4.64 0.02 0.00 0.00 0.00 0.00 23.12 18.71 3hs0 s ALA 713 CO 0.33 -3.95 0.73 1.03 0.00 0.00 0.00 175.76 173.89 3hs0 s ARG 714 N 5.09 2.70 -0.05 0.00 1.81 -1.26 -3.42 118.95 123.82 3hs0 s ARG 714 Ca 0.58 -0.75 0.03 0.00 -1.72 0.00 0.00 55.73 53.87 3hs0 s ARG 714 Cb 0.02 -2.53 0.01 0.00 -0.45 0.00 0.00 34.95 31.99 3hs0 s ARG 714 CO 0.07 -0.56 -0.14 -0.51 -0.68 0.00 0.00 175.30 173.48 3hs0 s ASP 715 N -4.37 1.85 -0.10 0.23 1.01 0.11 -1.87 116.67 113.54 3hs0 s ASP 715 Ca 0.55 -0.31 -0.03 0.00 0.71 0.00 0.00 52.55 53.47 3hs0 s ASP 715 Cb -0.10 -0.69 -0.03 0.00 1.01 0.00 0.00 42.92 43.11 3hs0 s ASP 715 CO 0.38 0.08 0.03 -0.36 0.21 0.00 0.00 175.17 175.51 3hs0 s PHE 716 N 0.37 3.25 0.00 4.23 0.08 0.12 -0.66 117.98 125.38 3hs0 s PHE 716 Ca -0.09 0.25 0.05 0.00 0.12 0.00 0.00 56.93 57.25 3hs0 s PHE 716 Cb -0.13 -1.84 -0.01 0.00 -0.57 0.00 0.00 43.02 40.46 3hs0 s PHE 716 CO 0.03 0.50 -0.15 -1.01 -0.10 0.00 0.00 175.22 174.49 3hs0 s HIS 717 N -0.82 1.31 -0.15 0.36 3.76 -0.38 -1.81 115.29 117.56 3hs0 s HIS 717 Ca 0.13 -0.27 -0.29 0.00 -0.15 0.00 0.00 55.06 54.47 3hs0 s HIS 717 Cb -0.12 -0.83 -0.03 0.00 1.11 0.00 0.00 32.58 32.72 3hs0 s HIS 717 CO 0.03 -0.00 1.42 0.42 -0.85 0.00 0.00 174.74 175.75 3hs0 s ILE 718 N -0.47 4.00 -0.55 0.60 -1.09 0.19 0.65 121.20 124.52 3hs0 s ILE 718 Ca 0.05 1.19 -0.28 0.00 -2.23 0.00 0.00 60.65 59.38 3hs0 s ILE 718 Cb -0.06 -3.82 0.01 0.00 -1.58 0.00 0.00 42.46 37.01 3hs0 s ILE 718 CO -0.00 -0.16 1.46 0.21 -1.23 0.00 0.00 174.94 175.21 3hs0 s ASN 719 N 2.71 6.08 0.57 3.58 3.84 0.23 -1.41 114.94 130.53 3hs0 s ASN 719 Ca 0.62 0.35 0.27 0.00 0.21 0.00 0.00 52.86 54.32 3hs0 s ASN 719 Cb -0.25 -2.54 1.57 0.00 -0.55 0.00 0.00 41.25 39.48 3hs0 s ASN 719 CO 0.21 -1.74 2.08 -0.07 -2.79 0.00 0.00 177.10 174.79 3hs0 h LEU 720 N 13.28 0.00 -2.45 3.21 3.38 -1.63 0.23 115.31 131.34 3hs0 h LEU 720 Ca -0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3hs0 h LEU 720 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 3hs0 h LEU 720 CO 1.17 0.00 -0.03 -0.26 0.09 0.00 0.00 178.44 179.41 3hs0 h PHE 721 N 0.00 0.00 -0.28 1.13 0.04 -1.90 -2.25 116.94 113.67 3hs0 h PHE 721 Ca 0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.88 3hs0 h PHE 721 Cb 0.57 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.72 3hs0 h PHE 721 CO 0.00 0.03 0.00 1.04 -0.60 0.00 0.00 178.31 178.78 3hs0 n GLN 722 N -3.50 2.05 -2.34 1.51 1.13 0.82 -4.12 117.38 112.92 3hs0 n GLN 722 Ca -0.02 -1.58 -0.05 0.00 -1.94 0.00 0.00 57.00 53.40 3hs0 n GLN 722 Cb 0.13 -1.43 0.05 0.00 0.11 0.00 0.00 30.24 29.10 3hs0 n GLN 722 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 3hs0 n VAL 723 N 0.80 1.46 0.03 5.09 0.24 -0.85 -4.92 118.33 120.18 3hs0 n VAL 723 Ca 0.17 -3.00 -0.18 0.00 -2.04 0.00 0.00 64.34 59.29 3hs0 n VAL 723 Cb 0.43 0.59 -0.08 0.00 -1.47 0.00 0.00 33.84 33.31 3hs0 n VAL 723 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3hs0 h LEU 724 N 2.21 0.85 -0.67 1.34 3.38 -1.72 -2.33 115.31 118.37 3hs0 h LEU 724 Ca -0.02 -0.65 0.11 0.00 0.09 0.00 0.00 57.88 57.41 3hs0 h LEU 724 Cb 1.40 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.81 3hs0 h LEU 724 CO 0.30 1.45 0.26 -0.65 0.09 0.00 0.00 178.44 179.89 3hs0 h PRO 725 N 0.40 0.43 -0.04 1.13 0.11 -1.93 0.12 132.00 132.22 3hs0 h PRO 725 Ca -0.10 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.84 3hs0 h PRO 725 Cb 1.60 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.60 3hs0 h PRO 725 CO 0.19 0.28 -0.62 2.35 -0.21 0.00 0.00 178.00 179.99 3hs0 h TRP 726 N 0.44 0.19 0.16 0.65 7.01 -1.96 -2.55 115.95 119.90 3hs0 h TRP 726 Ca 0.35 -0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.26 3hs0 h TRP 726 Cb 0.46 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.49 3hs0 h TRP 726 CO -0.16 0.73 -0.08 -0.07 -2.79 0.00 0.00 178.44 176.07 3hs0 h LEU 727 N 0.11 -0.19 -0.71 0.65 3.38 -0.93 -2.94 115.31 114.69 3hs0 h LEU 727 Ca -0.01 -0.34 0.15 0.00 0.09 0.00 0.00 57.88 57.77 3hs0 h LEU 727 Cb 1.12 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.81 3hs0 h LEU 727 CO 0.09 0.37 0.16 0.11 0.09 0.00 0.00 178.44 179.26 3hs0 h LYS 728 N -0.88 0.25 0.00 1.13 1.57 -0.84 -1.65 116.57 116.16 3hs0 h LYS 728 Ca -0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3hs0 h LYS 728 Cb 0.52 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3hs0 h LYS 728 CO 0.04 0.17 0.00 -1.91 -0.57 0.00 0.00 179.45 177.17 3hs0 n GLU 729 N -5.16 0.00 0.32 3.15 2.13 -0.96 -2.04 120.64 118.08 3hs0 n GLU 729 Ca 0.13 0.41 0.20 0.00 0.66 0.00 0.00 57.16 58.56 3hs0 n GLU 729 Cb 0.43 -1.34 1.07 0.00 0.27 0.00 0.00 31.44 31.87 3hs0 n GLU 729 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 3hs0 h LYS 730 N 0.00 0.00 -0.35 5.31 1.79 -1.43 -1.60 116.57 120.28 3hs0 h LYS 730 Ca 0.00 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.31 3hs0 h LYS 730 Cb 0.00 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.56 3hs0 h LYS 730 CO 0.00 0.00 -0.04 1.28 -1.08 0.00 0.00 179.45 179.61 3hs0 n LEU 731 N -3.18 4.16 -0.11 2.94 4.77 -0.63 -4.70 117.00 120.24 3hs0 n LEU 731 Ca -0.02 -3.63 -0.13 0.00 -0.03 0.00 0.00 56.01 52.19 3hs0 n LEU 731 Cb 0.16 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.60 3hs0 n LEU 731 CO 0.20 1.14 0.53 0.06 -1.33 0.00 0.00 177.39 177.99 3hs0 h GLN 732 N 1.12 0.94 -1.68 3.23 3.07 -0.68 -3.29 115.11 117.81 3hs0 h GLN 732 Ca 0.20 -0.51 -0.57 0.00 0.09 0.00 0.00 58.65 57.86 3hs0 h GLN 732 Cb 1.66 0.02 -0.22 0.00 0.08 0.00 0.00 27.48 29.03 3hs0 h GLN 732 CO 0.38 1.16 0.67 -0.25 0.09 0.00 0.00 178.83 180.89 3hs0 n ASP 733 N -4.05 7.01 0.00 0.06 8.00 -1.26 -4.45 116.55 121.85 3hs0 n ASP 733 Ca -0.03 -3.46 0.00 0.00 0.71 0.00 0.00 54.79 52.01 3hs0 n ASP 733 Cb 0.56 -1.10 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 3hs0 n ASP 733 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hs0 n GLU 734 N 0.01 0.10 -0.65 -1.24 -0.58 -1.24 -5.03 120.64 112.02 3hs0 n GLU 734 Ca 0.49 -0.18 0.00 0.00 -0.42 0.00 0.00 57.16 57.05 3hs0 n GLU 734 Cb 0.50 -0.64 0.00 0.00 -0.57 0.00 0.00 31.44 30.73 3hs0 n GLU 734 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3hs0 n ASP 735 N -0.07 -1.09 0.09 1.62 9.92 -1.26 -4.83 116.55 120.92 3hs0 n ASP 735 Ca 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3hs0 n ASP 735 Cb 0.12 -0.18 -0.04 0.00 -0.64 0.00 0.00 41.12 40.38 3hs0 n ASP 735 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3hs0 h LEU 736 N 0.00 0.00 -2.27 0.64 3.38 -1.88 -3.50 115.31 111.68 3hs0 h LEU 736 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hs0 h LEU 736 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hs0 h LEU 736 CO 0.00 0.62 -1.00 0.61 0.09 0.00 0.00 178.44 178.76 3hs0 n GLY 737 N 1.31 -3.88 0.33 0.83 0.00 -1.26 -3.81 105.19 98.71 3hs0 n GLY 737 Ca -0.03 0.43 -0.02 0.00 0.00 0.00 0.00 46.02 46.40 3hs0 n GLY 737 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hs0 n PHE 738 N 0.78 -3.63 0.00 1.61 3.72 -1.26 -1.36 117.46 117.32 3hs0 n PHE 738 Ca -0.00 -0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3hs0 n PHE 738 Cb 0.06 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 3hs0 n PHE 738 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3hs0 n LEU 739 N 0.00 0.00 0.00 4.37 4.77 -1.25 -4.78 117.00 120.11 3hs0 n LEU 739 Ca 0.01 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.06 3hs0 n LEU 739 Cb 0.05 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.52 3hs0 n LEU 739 CO 0.04 0.00 0.59 0.00 -1.33 0.00 0.00 177.39 176.69