#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1u s GLU 6 N 0.00 3.93 -0.08 0.38 -6.30 -1.26 -4.99 118.70 110.38 1s1u s GLU 6 Ca 0.00 0.80 -0.20 0.00 -2.50 0.00 0.00 54.97 53.08 1s1u s GLU 6 Cb 0.00 -3.79 -0.04 0.00 0.00 0.00 0.00 34.13 30.30 1s1u s GLU 6 CO 0.00 -0.98 0.54 0.95 0.02 0.00 0.00 175.26 175.79 1s1u s THR 7 N 3.69 5.09 0.10 -1.70 -4.23 -1.26 -4.99 115.64 112.34 1s1u s THR 7 Ca 0.43 1.11 -0.29 0.00 -1.18 0.00 0.00 61.69 61.76 1s1u s THR 7 Cb -0.11 -3.88 -0.06 0.00 1.34 0.00 0.00 72.50 69.79 1s1u s THR 7 CO 0.19 0.35 0.91 0.54 -0.54 0.00 0.00 174.62 176.07 1s1u s VAL 8 N 0.38 4.53 -0.12 2.29 0.11 -1.26 -4.92 120.40 121.41 1s1u s VAL 8 Ca 0.29 1.97 -0.29 0.00 -2.93 0.00 0.00 61.98 61.02 1s1u s VAL 8 Cb -0.16 -4.27 -0.02 0.00 -1.53 0.00 0.00 36.38 30.39 1s1u s VAL 8 CO 0.14 0.34 1.25 -2.16 -3.33 0.00 0.00 175.10 171.33 1s1u s PRO 9 N -0.08 4.27 0.22 1.54 0.04 -1.26 -4.20 135.00 135.54 1s1u s PRO 9 Ca 0.45 1.68 0.10 0.00 0.04 0.00 0.00 61.00 63.26 1s1u s PRO 9 Cb -0.23 -3.69 -0.04 0.00 0.04 0.00 0.00 34.50 30.58 1s1u s PRO 9 CO 0.28 -0.62 -0.08 0.08 0.04 0.00 0.00 177.00 176.71 1s1u s VAL 10 N 3.03 3.18 0.06 -0.36 1.01 -1.26 -5.11 120.40 120.96 1s1u s VAL 10 Ca 0.56 -1.84 -0.12 0.00 0.00 0.00 0.00 61.98 60.57 1s1u s VAL 10 Cb -0.23 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.53 1s1u s VAL 10 CO 0.18 -0.24 0.27 -0.54 0.00 0.00 0.00 175.10 174.76 1s1u s LYS 11 N -3.20 0.82 0.74 2.72 1.02 -1.26 -4.81 119.74 115.77 1s1u s LYS 11 Ca 0.28 -0.67 -0.11 0.00 0.02 0.00 0.00 55.97 55.49 1s1u s LYS 11 Cb -0.07 0.35 0.03 0.00 -0.52 0.00 0.00 37.83 37.62 1s1u s LYS 11 CO 0.17 -0.27 1.08 -0.51 -0.92 0.00 0.00 175.35 174.90 1s1u s LEU 12 N -2.35 2.85 0.54 3.17 1.43 -1.26 -1.86 118.68 121.20 1s1u s LEU 12 Ca -0.02 1.35 -0.22 0.00 -1.03 0.00 0.00 54.13 54.22 1s1u s LEU 12 Cb 0.01 -4.11 -0.05 0.00 0.03 0.00 0.00 46.19 42.06 1s1u s LEU 12 CO -0.06 -1.60 1.35 0.29 0.23 0.00 0.00 176.35 176.56 1s1u n LYS 13 N -3.20 1.73 -1.47 1.70 5.02 0.15 -4.41 118.16 117.67 1s1u n LYS 13 Ca 0.07 0.63 -0.52 0.00 -2.02 0.00 0.00 58.31 56.48 1s1u n LYS 13 Cb 0.56 -2.57 -0.05 0.00 -0.02 0.00 0.00 35.03 32.95 1s1u n LYS 13 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1s1u n PRO 14 N -0.91 0.27 -0.10 1.97 -0.02 -1.26 -1.83 135.00 133.11 1s1u n PRO 14 Ca 0.10 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1s1u n PRO 14 Cb 0.44 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 1s1u n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s1u n GLY 15 N 1.80 1.02 3.82 -1.23 0.00 -1.26 -4.96 105.19 104.38 1s1u n GLY 15 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1s1u n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s1u s MET 16 N -0.09 4.18 0.46 1.61 -1.94 -0.76 -5.08 119.30 117.68 1s1u s MET 16 Ca 0.00 1.07 0.06 0.00 -1.71 0.00 0.00 55.69 55.11 1s1u s MET 16 Cb 0.00 -2.19 -0.02 0.00 2.01 0.00 0.00 34.83 34.63 1s1u s MET 16 CO 0.00 -0.04 0.27 0.34 -0.01 0.00 0.00 175.02 175.58 1s1u s ASP 17 N -2.29 4.59 0.69 3.03 -1.08 -1.26 -4.84 116.67 115.50 1s1u s ASP 17 Ca 0.61 -1.10 -0.11 0.00 -0.52 0.00 0.00 52.55 51.44 1s1u s ASP 17 Cb -0.09 -0.18 0.00 0.00 -1.46 0.00 0.00 42.92 41.19 1s1u s ASP 17 CO 0.15 -0.75 1.06 -0.83 0.52 0.00 0.00 175.17 175.33 1s1u s GLY 18 N -4.06 1.67 0.31 2.66 0.00 -1.26 -5.00 107.32 101.65 1s1u s GLY 18 Ca 0.38 0.08 -0.29 0.00 0.00 0.00 0.00 44.72 44.89 1s1u s GLY 18 CO 0.22 0.38 1.36 2.56 0.00 0.00 0.00 173.10 177.62 1s1u s PRO 19 N -5.04 4.31 -0.45 2.90 0.04 -1.26 -4.93 135.00 130.58 1s1u s PRO 19 Ca 0.58 2.26 0.09 0.00 0.04 0.00 0.00 61.00 63.97 1s1u s PRO 19 Cb -0.14 -3.07 0.30 0.00 0.04 0.00 0.00 34.50 31.62 1s1u s PRO 19 CO 0.55 -0.28 0.68 1.63 0.04 0.00 0.00 177.00 179.62 1s1u n LYS 20 N 1.20 1.41 -3.66 4.56 5.02 -1.23 0.26 118.16 125.73 1s1u n LYS 20 Ca 0.02 -3.72 -0.37 0.00 -2.02 0.00 0.00 58.31 52.23 1s1u n LYS 20 Cb 0.41 -1.68 -0.07 0.00 -0.02 0.00 0.00 35.03 33.68 1s1u n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1s1u s VAL 21 N -2.24 5.33 0.54 -0.18 1.01 -0.28 -4.88 120.40 119.71 1s1u s VAL 21 Ca 0.39 0.45 -0.22 0.00 0.00 0.00 0.00 61.98 62.60 1s1u s VAL 21 Cb 0.24 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1s1u s VAL 21 CO -0.09 0.50 1.36 -0.75 0.00 0.00 0.00 175.10 176.12 1s1u s LYS 22 N -0.30 3.16 -0.31 2.72 2.20 -1.26 -4.30 119.74 121.65 1s1u s LYS 22 Ca 0.16 2.24 -0.13 0.00 -0.36 0.00 0.00 55.97 57.88 1s1u s LYS 22 Cb -0.13 -2.27 -0.03 0.00 -1.51 0.00 0.00 37.83 33.89 1s1u s LYS 22 CO 0.05 -1.18 0.27 -1.14 -0.36 0.00 0.00 175.35 172.99 1s1u s GLN 23 N -2.90 3.75 0.31 4.03 2.00 -1.26 -4.58 119.66 121.02 1s1u s GLN 23 Ca 0.71 -0.37 -0.29 0.00 -2.00 0.00 0.00 55.36 53.41 1s1u s GLN 23 Cb -0.40 -3.73 -0.11 0.00 0.80 0.00 0.00 33.01 29.57 1s1u s GLN 23 CO 0.48 -0.34 1.48 -0.46 -0.50 0.00 0.00 175.29 175.95 1s1u s TRP 24 N 1.85 2.81 0.50 1.67 -0.11 -1.26 -4.91 118.94 119.49 1s1u s TRP 24 Ca 0.09 1.05 -0.24 0.00 1.22 0.00 0.00 56.10 58.23 1s1u s TRP 24 Cb -0.16 -3.94 -0.07 0.00 -1.50 0.00 0.00 33.47 27.80 1s1u s TRP 24 CO 0.11 -2.93 1.40 -1.25 -4.62 0.00 0.00 176.95 169.67 1s1u s PRO 25 N -1.13 3.41 0.40 5.86 0.04 -1.26 -4.95 135.00 137.36 1s1u s PRO 25 Ca 0.57 2.35 0.08 0.00 0.04 0.00 0.00 61.00 64.04 1s1u s PRO 25 Cb -0.45 -2.47 -0.06 0.00 0.04 0.00 0.00 34.50 31.57 1s1u s PRO 25 CO 0.52 -1.01 0.10 -0.51 0.04 0.00 0.00 177.00 176.14 1s1u s LEU 26 N -3.11 3.03 0.23 -3.56 1.43 -1.26 -5.08 118.68 110.36 1s1u s LEU 26 Ca 0.66 -1.13 -0.15 0.00 -1.03 0.00 0.00 54.13 52.48 1s1u s LEU 26 Cb -0.43 -1.28 -0.08 0.00 0.03 0.00 0.00 46.19 44.43 1s1u s LEU 26 CO 0.53 -0.45 0.64 0.42 0.23 0.00 0.00 176.35 177.72 1s1u s THR 27 N -2.61 4.74 0.26 5.49 -4.23 -1.26 -4.88 115.64 113.15 1s1u s THR 27 Ca 0.38 0.92 -0.10 0.00 -1.18 0.00 0.00 61.69 61.71 1s1u s THR 27 Cb 0.05 -3.72 0.38 0.00 1.34 0.00 0.00 72.50 70.55 1s1u s THR 27 CO 0.21 0.07 1.58 -0.08 -0.54 0.00 0.00 174.62 175.85 1s1u h GLU 28 N 3.01 -0.01 -0.47 3.99 4.81 -2.00 0.12 114.58 124.04 1s1u h GLU 28 Ca -0.48 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 58.85 1s1u h GLU 28 Cb 1.18 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.47 1s1u h GLU 28 CO 0.66 -0.00 -0.21 1.49 -0.73 0.00 0.00 179.01 180.22 1s1u h GLU 29 N -0.01 -0.10 0.92 1.92 4.81 -2.00 0.18 114.58 120.30 1s1u h GLU 29 Ca 0.42 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.61 1s1u h GLU 29 Cb 0.65 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.06 1s1u h GLU 29 CO -0.93 -0.07 -0.44 0.87 -0.73 0.00 0.00 179.01 177.72 1s1u h LYS 30 N -0.10 -1.19 -0.87 1.92 1.79 -1.22 -2.54 116.57 114.36 1s1u h LYS 30 Ca 0.22 0.08 0.11 0.00 -2.18 0.00 0.00 60.65 58.89 1s1u h LYS 30 Cb 0.45 0.27 -0.13 0.00 -1.58 0.00 0.00 32.23 31.24 1s1u h LYS 30 CO -0.54 -0.79 -0.47 0.82 -1.08 0.00 0.00 179.45 177.39 1s1u h ILE 31 N -1.24 0.03 -0.28 1.86 1.08 -0.34 0.19 117.51 118.80 1s1u h ILE 31 Ca -0.13 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.41 1s1u h ILE 31 Cb 0.95 0.03 -0.06 0.00 -3.07 0.00 0.00 36.82 34.66 1s1u h ILE 31 CO 0.21 0.00 -0.14 0.11 -0.69 0.00 0.00 178.15 177.64 1s1u h LYS 32 N -0.07 -0.09 -0.75 2.37 1.57 -0.99 0.13 116.57 118.74 1s1u h LYS 32 Ca 0.23 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 59.16 1s1u h LYS 32 Cb 0.53 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.77 1s1u h LYS 32 CO -0.88 -0.06 0.31 0.00 -0.57 0.00 0.00 179.45 178.25 1s1u h ALA 33 N 1.13 1.05 -0.39 3.86 0.00 -0.27 0.07 119.26 124.71 1s1u h ALA 33 Ca 0.15 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 1s1u h ALA 33 Cb 0.32 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1s1u h ALA 33 CO -0.35 -0.19 -0.15 -0.07 0.00 0.00 0.00 179.25 178.50 1s1u h LEU 34 N 0.47 0.72 0.04 0.00 3.38 0.63 -1.43 115.31 119.12 1s1u h LEU 34 Ca 0.41 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1s1u h LEU 34 Cb 0.59 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1s1u h LEU 34 CO -0.38 0.88 -0.02 0.58 0.09 0.00 0.00 178.44 179.59 1s1u h VAL 35 N 0.65 1.01 -0.55 1.22 2.07 1.00 -0.36 116.25 121.29 1s1u h VAL 35 Ca 0.11 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1s1u h VAL 35 Cb 0.62 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 1s1u h VAL 35 CO 0.04 0.05 0.25 -0.08 0.02 0.00 0.00 177.57 177.84 1s1u h GLU 36 N -0.14 0.45 0.54 1.57 4.81 -1.02 0.77 114.58 121.56 1s1u h GLU 36 Ca -0.01 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1s1u h GLU 36 Cb 0.12 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.40 1s1u h GLU 36 CO 0.01 0.30 -0.26 0.82 -0.73 0.00 0.00 179.01 179.15 1s1u h ILE 37 N 0.47 0.38 -0.18 2.32 2.04 -1.03 -3.05 117.51 118.45 1s1u h ILE 37 Ca 0.26 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 1s1u h ILE 37 Cb 0.23 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1s1u h ILE 37 CO -0.22 0.04 -0.06 0.00 0.00 0.00 0.00 178.15 177.92 1s1u h THR 39 N 0.26 1.19 -0.01 0.00 2.02 -0.83 0.09 112.91 115.63 1s1u h THR 39 Ca 0.06 -0.38 -0.18 0.00 0.77 0.00 0.00 66.41 66.68 1s1u h THR 39 Cb 0.28 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 1s1u h THR 39 CO 0.01 0.20 -0.79 -0.08 0.37 0.00 0.00 175.52 175.23 1s1u h GLU 40 N 1.11 0.12 0.00 6.66 4.57 -1.31 -2.59 114.58 123.15 1s1u h GLU 40 Ca 0.32 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.34 1s1u h GLU 40 Cb -0.08 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1s1u h GLU 40 CO -0.08 0.85 -0.19 0.52 -1.18 0.00 0.00 179.01 178.93 1s1u h MET 41 N 0.07 0.00 0.01 1.92 2.86 -0.48 -2.25 114.93 117.06 1s1u h MET 41 Ca -0.02 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1s1u h MET 41 Cb 1.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.05 1s1u h MET 41 CO 0.11 0.19 -0.00 1.49 1.06 0.00 0.00 176.91 179.76 1s1u h GLU 42 N 0.00 -0.01 -0.90 1.72 4.81 -0.81 0.24 114.58 119.63 1s1u h GLU 42 Ca -0.00 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.38 1s1u h GLU 42 Cb 0.44 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.75 1s1u h GLU 42 CO 0.02 0.67 0.58 0.87 -0.73 0.00 0.00 179.01 180.42 1s1u h LYS 43 N -0.71 0.64 -0.12 1.92 1.57 -1.20 0.54 116.57 119.22 1s1u h LYS 43 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1s1u h LYS 43 Cb 0.69 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1s1u h LYS 43 CO 0.00 0.43 0.00 0.39 -0.57 0.00 0.00 179.45 179.70 1s1u n GLU 44 N -4.57 1.33 -1.65 3.15 1.02 -0.87 -4.88 120.64 114.17 1s1u n GLU 44 Ca 0.18 -0.50 -0.21 0.00 -0.02 0.00 0.00 57.16 56.61 1s1u n GLU 44 Cb 0.50 -1.18 -0.08 0.00 -0.02 0.00 0.00 31.44 30.66 1s1u n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s1u n GLY 45 N 0.79 1.85 0.08 0.62 0.00 0.19 -4.84 105.19 103.88 1s1u n GLY 45 Ca 0.08 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 1s1u n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s1u h LYS 46 N 0.00 0.12 -5.84 1.61 1.79 -0.71 -3.43 116.57 110.11 1s1u h LYS 46 Ca -0.43 -0.08 -0.57 0.00 -2.18 0.00 0.00 60.65 57.39 1s1u h LYS 46 Cb 1.36 0.01 -0.14 0.00 -1.58 0.00 0.00 32.23 31.88 1s1u h LYS 46 CO 0.62 0.65 -0.70 0.96 -1.08 0.00 0.00 179.45 179.90 1s1u s ILE 47 N -3.99 2.08 0.00 1.86 -4.36 -1.05 -0.05 121.20 115.69 1s1u s ILE 47 Ca -0.16 -2.23 0.00 0.00 -0.26 0.00 0.00 60.65 58.01 1s1u s ILE 47 Cb 0.02 -2.46 -0.00 0.00 1.25 0.00 0.00 42.46 41.27 1s1u s ILE 47 CO 0.71 -0.31 -0.01 -0.44 0.24 0.00 0.00 174.94 175.13 1s1u s SER 48 N -3.51 0.10 0.36 4.36 0.01 -0.40 -4.24 113.70 110.39 1s1u s SER 48 Ca 0.30 -0.04 -0.28 0.00 1.31 0.00 0.00 55.95 57.24 1s1u s SER 48 Cb 0.01 -0.01 -0.11 0.00 0.21 0.00 0.00 66.02 66.12 1s1u s SER 48 CO 0.14 -0.00 1.45 -0.54 0.41 0.00 0.00 173.24 174.70 1s1u s LYS 49 N -0.08 4.16 0.47 12.44 1.02 -1.26 -1.48 119.74 135.01 1s1u s LYS 49 Ca -0.00 2.49 0.06 0.00 0.02 0.00 0.00 55.97 58.54 1s1u s LYS 49 Cb -0.01 -2.99 -0.01 0.00 -0.52 0.00 0.00 37.83 34.30 1s1u s LYS 49 CO -0.00 -0.46 0.25 0.96 -0.92 0.00 0.00 175.35 175.17 1s1u s ILE 50 N -1.06 1.93 0.44 2.17 -4.36 -0.33 -4.85 121.20 115.15 1s1u s ILE 50 Ca 0.52 -1.64 0.07 0.00 -0.26 0.00 0.00 60.65 59.34 1s1u s ILE 50 Cb -0.45 -2.58 -0.03 0.00 1.25 0.00 0.00 42.46 40.66 1s1u s ILE 50 CO 0.60 0.00 0.25 -0.83 0.24 0.00 0.00 174.94 175.20 1s1u s GLY 51 N -4.05 2.35 0.52 6.27 0.00 -1.26 -4.84 107.32 106.31 1s1u s GLY 51 Ca 0.34 -1.81 0.29 0.00 0.00 0.00 0.00 44.72 43.53 1s1u s GLY 51 CO 0.20 -1.89 1.91 -0.56 0.00 0.00 0.00 173.10 172.75 1s1u h PRO 52 N 1.22 0.04 0.00 2.90 0.13 -2.01 -0.84 132.00 133.43 1s1u h PRO 52 Ca -0.41 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1s1u h PRO 52 Cb 1.27 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1s1u h PRO 52 CO 0.65 0.02 0.00 -0.85 -0.23 0.00 0.00 178.00 177.60 1s1u n GLU 53 N -4.32 0.16 -3.76 0.86 0.00 -1.26 -4.27 120.64 108.05 1s1u n GLU 53 Ca 0.16 0.01 -0.37 0.00 0.00 0.00 0.00 57.16 56.96 1s1u n GLU 53 Cb 0.85 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 30.67 1s1u n GLU 53 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 1s1u s ASN 54 N -2.03 5.27 0.00 -1.84 3.84 -0.32 -4.97 114.94 114.89 1s1u s ASN 54 Ca 0.08 -1.55 0.29 0.00 0.21 0.00 0.00 52.86 51.89 1s1u s ASN 54 Cb 0.04 -1.84 1.35 0.00 -0.55 0.00 0.00 41.25 40.24 1s1u s ASN 54 CO 0.06 -0.43 1.92 -0.81 -2.79 0.00 0.00 177.10 175.05 1s1u n PRO 55 N 4.72 1.11 -2.43 0.43 -0.04 -1.26 -4.96 135.00 132.58 1s1u n PRO 55 Ca -0.09 -0.42 -0.28 0.00 -0.04 0.00 0.00 63.50 62.68 1s1u n PRO 55 Cb 0.43 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.41 1s1u n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1s1u s TYR 56 N -2.18 3.45 -0.18 0.54 2.02 -1.26 -4.80 117.35 114.94 1s1u s TYR 56 Ca 0.37 0.82 -0.29 0.00 -0.37 0.00 0.00 57.07 57.60 1s1u s TYR 56 Cb 0.21 -2.54 0.11 0.00 -0.40 0.00 0.00 41.96 39.34 1s1u s TYR 56 CO 0.40 -0.56 0.95 1.21 -1.57 0.00 0.00 175.55 175.97 1s1u s ASN 57 N -4.20 -0.45 0.01 2.29 2.47 0.14 -4.64 114.94 110.55 1s1u s ASN 57 Ca 0.51 0.63 0.02 0.00 0.42 0.00 0.00 52.86 54.44 1s1u s ASN 57 Cb -0.10 0.55 -0.01 0.00 -1.45 0.00 0.00 41.25 40.24 1s1u s ASN 57 CO 0.46 -0.32 -0.06 -0.89 -3.72 0.00 0.00 177.10 172.57 1s1u s THR 58 N -0.68 0.46 0.55 -5.21 2.01 -0.32 -1.12 115.64 111.33 1s1u s THR 58 Ca -0.02 -0.43 -0.20 0.00 0.31 0.00 0.00 61.69 61.36 1s1u s THR 58 Cb -0.02 -0.42 -0.05 0.00 0.01 0.00 0.00 72.50 72.01 1s1u s THR 58 CO 0.01 0.01 1.15 -2.84 -0.69 0.00 0.00 174.62 172.26 1s1u s PRO 59 N -0.47 3.30 0.00 4.92 0.02 -1.26 -3.99 135.00 137.53 1s1u s PRO 59 Ca -0.01 1.68 0.03 0.00 0.02 0.00 0.00 61.00 62.73 1s1u s PRO 59 Cb -0.04 -2.02 -0.01 0.00 0.02 0.00 0.00 34.50 32.44 1s1u s PRO 59 CO -0.00 -0.91 -0.11 0.14 -0.33 0.00 0.00 177.00 175.80 1s1u s VAL 60 N -1.70 0.83 0.13 3.83 -7.23 -1.26 -1.76 120.40 113.23 1s1u s VAL 60 Ca 0.73 -0.57 -0.00 0.00 -1.81 0.00 0.00 61.98 60.33 1s1u s VAL 60 Cb -0.26 -0.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 1s1u s VAL 60 CO 0.29 0.14 0.02 -0.36 -0.31 0.00 0.00 175.10 174.88 1s1u s PHE 61 N -0.42 0.92 -0.20 2.82 0.40 0.22 -4.95 117.98 116.77 1s1u s PHE 61 Ca 0.03 -1.13 0.01 0.00 -0.60 0.00 0.00 56.93 55.24 1s1u s PHE 61 Cb -0.05 -0.53 0.03 0.00 0.51 0.00 0.00 43.02 42.98 1s1u s PHE 61 CO -0.00 -0.39 -0.18 0.00 0.70 0.00 0.00 175.22 175.36 1s1u s ALA 62 N -3.89 2.40 0.31 5.36 0.00 -1.26 0.78 121.76 125.45 1s1u s ALA 62 Ca 0.21 -1.36 0.08 0.00 0.00 0.00 0.00 51.96 50.89 1s1u s ALA 62 Cb 0.07 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 1s1u s ALA 62 CO 0.00 -0.57 0.16 0.96 0.00 0.00 0.00 175.76 176.32 1s1u s ILE 63 N 1.24 3.43 -0.12 0.00 -4.36 -0.01 -4.90 121.20 116.48 1s1u s ILE 63 Ca 0.01 -1.61 -0.06 0.00 -0.26 0.00 0.00 60.65 58.73 1s1u s ILE 63 Cb -0.15 -3.07 -0.04 0.00 1.25 0.00 0.00 42.46 40.45 1s1u s ILE 63 CO -0.11 -0.24 0.10 -0.75 0.24 0.00 0.00 174.94 174.19 1s1u s LYS 64 N -3.85 3.44 0.55 0.37 2.47 -1.26 0.55 119.74 122.00 1s1u s LYS 64 Ca 0.37 -0.21 -0.20 0.00 -1.56 0.00 0.00 55.97 54.36 1s1u s LYS 64 Cb -0.05 -3.12 -0.05 0.00 -1.46 0.00 0.00 37.83 33.15 1s1u s LYS 64 CO 0.23 0.69 1.16 0.15 0.16 0.00 0.00 175.35 177.74 1s1u s LYS 65 N -0.78 3.30 -0.13 4.03 1.02 -0.59 -4.78 119.74 121.81 1s1u s LYS 65 Ca 0.13 1.70 -0.29 0.00 0.02 0.00 0.00 55.97 57.53 1s1u s LYS 65 Cb -0.12 -2.04 -0.03 0.00 -0.52 0.00 0.00 37.83 35.13 1s1u s LYS 65 CO 0.03 -0.91 1.36 0.21 -0.92 0.00 0.00 175.35 175.12 1s1u s LYS 66 N -3.22 4.23 -1.60 1.68 2.47 -1.26 -3.35 119.74 118.69 1s1u s LYS 66 Ca 0.73 1.80 -0.16 0.00 -1.56 0.00 0.00 55.97 56.78 1s1u s LYS 66 Cb -0.26 -3.80 0.12 0.00 -1.46 0.00 0.00 37.83 32.42 1s1u s LYS 66 CO 0.30 -0.73 0.88 -3.47 0.16 0.00 0.00 175.35 172.50 1s1u n ASP 67 N 6.63 -4.17 -3.84 1.43 2.03 -1.26 -4.84 116.55 112.54 1s1u n ASP 67 Ca 0.15 -0.86 -0.12 0.00 0.52 0.00 0.00 54.79 54.47 1s1u n ASP 67 Cb 0.44 -3.36 -0.12 0.00 -0.72 0.00 0.00 41.12 37.36 1s1u n ASP 67 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1s1u s SER 68 N -3.26 -0.10 -0.27 1.67 0.15 -1.21 -5.05 113.70 105.63 1s1u s SER 68 Ca 0.70 0.18 0.04 0.00 0.70 0.00 0.00 55.95 57.57 1s1u s SER 68 Cb -0.36 0.26 0.47 0.00 -1.71 0.00 0.00 66.02 64.68 1s1u s SER 68 CO 0.86 -0.10 1.55 1.07 1.20 0.00 0.00 173.24 177.82 1s1u n THR 69 N 2.74 2.34 -4.37 6.45 5.66 -1.26 -4.29 114.28 121.55 1s1u n THR 69 Ca -0.14 -1.20 -0.25 0.00 -3.05 0.00 0.00 64.05 59.40 1s1u n THR 69 Cb 0.58 -0.58 -0.09 0.00 -1.55 0.00 0.00 70.33 68.70 1s1u n THR 69 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1s1u s LYS 70 N -2.20 2.04 0.26 1.09 -0.14 -1.26 -5.02 119.74 114.51 1s1u s LYS 70 Ca 0.38 -1.78 0.06 0.00 -1.36 0.00 0.00 55.97 53.26 1s1u s LYS 70 Cb 0.31 -1.89 -0.03 0.00 -1.68 0.00 0.00 37.83 34.54 1s1u s LYS 70 CO 0.08 0.13 0.34 -1.58 -0.76 0.00 0.00 175.35 173.56 1s1u s TRP 71 N -2.54 3.33 -0.04 3.18 0.52 -1.26 -1.54 118.94 120.59 1s1u s TRP 71 Ca 0.35 -0.07 0.03 0.00 0.02 0.00 0.00 56.10 56.43 1s1u s TRP 71 Cb 0.01 -1.60 0.00 0.00 -1.15 0.00 0.00 33.47 30.73 1s1u s TRP 71 CO 0.19 0.39 -0.14 0.50 0.02 0.00 0.00 176.95 177.91 1s1u s ARG 72 N -3.98 1.56 -0.22 4.98 3.52 0.19 -4.83 118.95 120.17 1s1u s ARG 72 Ca 0.35 -0.48 -0.27 0.00 -0.13 0.00 0.00 55.73 55.20 1s1u s ARG 72 Cb -0.09 -1.35 0.00 0.00 -1.56 0.00 0.00 34.95 31.95 1s1u s ARG 72 CO 0.28 0.16 0.95 0.21 -0.81 0.00 0.00 175.30 176.09 1s1u s LYS 73 N 0.23 4.25 -0.12 5.12 2.20 -1.26 -0.83 119.74 129.33 1s1u s LYS 73 Ca -0.06 1.20 -0.02 0.00 -0.36 0.00 0.00 55.97 56.72 1s1u s LYS 73 Cb -0.12 -3.63 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 1s1u s LYS 73 CO 0.02 -0.54 -0.03 -1.17 -0.36 0.00 0.00 175.35 173.27 1s1u s LEU 74 N 2.91 3.34 -0.17 5.43 2.96 0.23 -4.96 118.68 128.42 1s1u s LEU 74 Ca 0.41 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.30 1s1u s LEU 74 Cb -0.15 -1.78 0.02 0.00 0.50 0.00 0.00 46.19 44.78 1s1u s LEU 74 CO 0.08 0.27 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.51 1s1u s VAL 75 N -0.21 1.84 -1.30 1.68 1.01 -1.26 0.71 120.40 122.86 1s1u s VAL 75 Ca 0.04 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 61.07 1s1u s VAL 75 Cb -0.13 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 1s1u s VAL 75 CO 0.02 0.50 2.25 -0.67 0.00 0.00 0.00 175.10 177.20 1s1u n ASP 76 N 4.69 4.21 -0.21 3.32 4.64 -0.72 -4.72 116.55 127.76 1s1u n ASP 76 Ca -0.19 -2.75 0.00 0.00 -1.38 0.00 0.00 54.79 50.47 1s1u n ASP 76 Cb 0.50 -1.50 0.00 0.00 -1.04 0.00 0.00 41.12 39.08 1s1u n ASP 76 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1s1u n PHE 77 N 6.01 0.00 0.09 -0.67 0.99 -1.26 -4.15 117.46 118.47 1s1u n PHE 77 Ca 0.54 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.86 1s1u n PHE 77 Cb 0.36 -0.02 -0.06 0.00 -1.00 0.00 0.00 39.48 38.76 1s1u n PHE 77 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1s1u h ARG 78 N 0.23 -0.56 -0.74 -1.08 3.08 -1.89 0.47 114.38 113.90 1s1u h ARG 78 Ca 0.00 0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.18 1s1u h ARG 78 Cb 0.10 0.13 -0.07 0.00 0.08 0.00 0.00 29.97 30.20 1s1u h ARG 78 CO 0.00 -0.37 0.38 1.49 -1.07 0.00 0.00 179.97 180.40 1s1u h GLU 79 N -0.58 0.61 0.19 0.04 4.57 -2.00 -1.56 114.58 115.85 1s1u h GLU 79 Ca 0.04 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1s1u h GLU 79 Cb 0.63 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1s1u h GLU 79 CO -0.26 0.41 -0.09 1.25 -1.18 0.00 0.00 179.01 179.13 1s1u h LEU 80 N 0.63 -0.22 -1.23 1.64 5.85 -1.69 -2.83 115.31 117.47 1s1u h LEU 80 Ca 0.36 -0.24 0.24 0.00 0.84 0.00 0.00 57.88 59.09 1s1u h LEU 80 Cb 0.38 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.36 1s1u h LEU 80 CO -0.27 0.14 0.64 0.78 -0.34 0.00 0.00 178.44 179.39 1s1u h ASN 81 N -0.60 0.56 0.15 1.25 2.35 0.28 0.67 115.58 120.24 1s1u h ASN 81 Ca -0.03 0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 1s1u h ASN 81 Cb 0.44 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1s1u h ASN 81 CO 0.04 0.13 -0.27 0.50 -1.65 0.00 0.00 177.43 176.18 1s1u h LYS 82 N 0.50 0.20 -0.01 0.81 3.64 -1.13 -3.00 116.57 117.58 1s1u h LYS 82 Ca 0.60 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 1s1u h LYS 82 Cb 1.32 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1s1u h LYS 82 CO -0.35 0.46 -0.34 0.54 -2.27 0.00 0.00 179.45 177.49 1s1u n ARG 83 N -4.15 1.05 -2.89 1.90 1.74 0.21 -4.93 116.66 109.58 1s1u n ARG 83 Ca -0.01 -0.75 -0.36 0.00 -0.77 0.00 0.00 57.85 55.96 1s1u n ARG 83 Cb 0.37 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.26 1s1u n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1s1u s THR 84 N -2.47 4.36 0.68 0.55 2.01 -0.06 0.29 115.64 121.00 1s1u s THR 84 Ca 0.22 1.58 -0.17 0.00 0.31 0.00 0.00 61.69 63.64 1s1u s THR 84 Cb 0.19 -3.88 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 1s1u s THR 84 CO 0.53 0.06 0.47 0.00 -0.69 0.00 0.00 174.62 175.00 1s1u n GLN 85 N 0.35 0.35 -2.83 4.92 10.64 -0.78 -4.41 117.38 125.63 1s1u n GLN 85 Ca 0.02 0.15 -0.41 0.00 -1.83 0.00 0.00 57.00 54.92 1s1u n GLN 85 Cb 0.51 -1.75 -0.04 0.00 -0.86 0.00 0.00 30.24 28.11 1s1u n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1s1u s ASP 86 N -1.36 7.16 0.08 2.61 1.11 -1.26 -4.93 116.67 120.08 1s1u s ASP 86 Ca 0.66 1.41 -0.06 0.00 0.18 0.00 0.00 52.55 54.73 1s1u s ASP 86 Cb -0.38 -2.50 -0.05 0.00 1.07 0.00 0.00 42.92 41.06 1s1u s ASP 86 CO 0.58 -0.30 0.33 -0.36 1.18 0.00 0.00 175.17 176.60 1s1u s PHE 87 N 1.44 3.54 -0.22 4.23 0.40 -1.26 -5.17 117.98 120.93 1s1u s PHE 87 Ca 0.45 0.60 -0.06 0.00 -0.60 0.00 0.00 56.93 57.31 1s1u s PHE 87 Cb -0.19 -2.02 -0.03 0.00 0.51 0.00 0.00 43.02 41.30 1s1u s PHE 87 CO 0.20 0.53 0.03 1.67 0.70 0.00 0.00 175.22 178.35 1s1u s TRP 88 N -1.46 3.07 -0.27 0.36 1.48 -1.26 -5.13 118.94 115.73 1s1u s TRP 88 Ca 0.34 -0.44 -0.14 0.00 -1.06 0.00 0.00 56.10 54.80 1s1u s TRP 88 Cb -0.13 -2.16 0.08 0.00 -1.16 0.00 0.00 33.47 30.11 1s1u s TRP 88 CO 0.20 -0.29 0.64 -1.58 -4.06 0.00 0.00 176.95 171.86 1s1u s HIS 96 N 1.28 -1.04 -0.49 1.66 2.46 -1.26 -5.11 115.29 112.80 1s1u s HIS 96 Ca 0.04 2.03 -0.29 0.00 0.47 0.00 0.00 55.06 57.32 1s1u s HIS 96 Cb -0.15 0.60 0.03 0.00 -0.13 0.00 0.00 32.58 32.93 1s1u s HIS 96 CO 0.02 -0.52 1.18 -1.25 -2.47 0.00 0.00 174.74 171.70 1s1u s PRO 97 N 1.80 3.68 0.25 2.88 0.04 -1.26 -4.87 135.00 137.51 1s1u s PRO 97 Ca -0.09 0.56 0.24 0.00 0.04 0.00 0.00 61.00 61.74 1s1u s PRO 97 Cb -0.07 -3.94 0.96 0.00 0.04 0.00 0.00 34.50 31.50 1s1u s PRO 97 CO -0.19 -1.45 1.71 0.00 0.04 0.00 0.00 177.00 177.12 1s1u n ALA 98 N 8.05 1.72 0.16 8.56 0.00 -1.26 -2.24 120.51 135.50 1s1u n ALA 98 Ca 0.12 0.07 0.02 0.00 0.00 0.00 0.00 53.44 53.65 1s1u n ALA 98 Cb 0.49 -1.39 0.27 0.00 0.00 0.00 0.00 19.45 18.81 1s1u n ALA 98 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1s1u h GLY 99 N 2.48 0.00 0.74 0.00 0.00 -1.98 -3.24 103.07 101.08 1s1u h GLY 99 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 1s1u h GLY 99 CO 0.00 0.00 0.15 1.19 0.00 0.00 0.00 176.54 177.88 1s1u h ILE 100 N 0.00 0.93 0.00 2.60 6.09 -1.81 -1.83 117.51 123.49 1s1u h ILE 100 Ca -0.00 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 1s1u h ILE 100 Cb 0.95 0.59 0.00 0.00 0.47 0.00 0.00 36.82 38.83 1s1u h ILE 100 CO 0.06 0.06 0.00 0.07 -3.07 0.00 0.00 178.15 175.27 1s1u h LYS 101 N 0.32 0.00 0.00 2.19 2.10 -1.73 -0.66 116.57 118.78 1s1u h LYS 101 Ca 0.16 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.71 1s1u h LYS 101 Cb 0.11 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.42 1s1u h LYS 101 CO -0.14 0.00 -1.31 1.63 -2.00 0.00 0.00 179.45 177.63 1s1u n LYS 102 N -3.05 0.62 -1.16 0.07 5.02 -0.73 -3.76 118.16 115.17 1s1u n LYS 102 Ca -0.03 0.17 -0.36 0.00 -2.02 0.00 0.00 58.31 56.06 1s1u n LYS 102 Cb 0.07 -1.80 0.06 0.00 -0.02 0.00 0.00 35.03 33.34 1s1u n LYS 102 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1s1u n LYS 103 N -2.78 0.13 -0.06 1.97 4.76 -0.26 -4.42 118.16 117.50 1s1u n LYS 103 Ca -0.06 0.07 -0.17 0.00 -2.87 0.00 0.00 58.31 55.28 1s1u n LYS 103 Cb 0.73 -1.53 -0.13 0.00 -1.84 0.00 0.00 35.03 32.26 1s1u n LYS 103 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1s1u h LYS 104 N -0.53 0.04 -6.31 1.97 1.57 -1.38 -3.05 116.57 108.89 1s1u h LYS 104 Ca -0.44 -0.07 -0.68 0.00 -1.87 0.00 0.00 60.65 57.58 1s1u h LYS 104 Cb 1.35 0.03 -0.31 0.00 0.08 0.00 0.00 32.23 33.38 1s1u h LYS 104 CO 0.38 1.03 -0.88 -1.12 -0.57 0.00 0.00 179.45 178.29 1s1u s SER 105 N -6.47 2.98 -0.03 0.86 0.01 0.02 -3.85 113.70 107.21 1s1u s SER 105 Ca -0.21 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.58 1s1u s SER 105 Cb -0.00 -0.52 0.03 0.00 0.21 0.00 0.00 66.02 65.73 1s1u s SER 105 CO 0.69 0.28 0.01 -0.69 0.41 0.00 0.00 173.24 173.94 1s1u s VAL 106 N -0.42 0.14 0.09 3.43 1.01 -0.90 0.02 120.40 123.76 1s1u s VAL 106 Ca 0.05 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.20 1s1u s VAL 106 Cb -0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 1s1u s VAL 106 CO 0.01 0.14 -0.04 -0.89 0.00 0.00 0.00 175.10 174.32 1s1u s THR 107 N 1.12 3.73 -0.14 3.92 2.01 -0.30 -0.92 115.64 125.06 1s1u s THR 107 Ca -0.08 -1.09 0.01 0.00 0.31 0.00 0.00 61.69 60.83 1s1u s THR 107 Cb -0.13 -2.76 -0.01 0.00 0.01 0.00 0.00 72.50 69.61 1s1u s THR 107 CO -0.02 0.13 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.20 1s1u s VAL 108 N -1.25 2.69 0.29 3.82 1.01 -1.26 -0.55 120.40 125.16 1s1u s VAL 108 Ca 0.23 -0.77 0.10 0.00 0.00 0.00 0.00 61.98 61.55 1s1u s VAL 108 Cb -0.11 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 1s1u s VAL 108 CO 0.16 0.52 -0.07 -0.76 0.00 0.00 0.00 175.10 174.95 1s1u s LEU 109 N 0.63 2.90 -0.41 3.92 1.02 0.83 -0.26 118.68 127.31 1s1u s LEU 109 Ca -0.08 -0.90 -0.09 0.00 0.02 0.00 0.00 54.13 53.08 1s1u s LEU 109 Cb -0.16 -1.36 0.08 0.00 0.02 0.00 0.00 46.19 44.76 1s1u s LEU 109 CO 0.03 -0.06 0.24 -0.62 0.02 0.00 0.00 176.35 175.96 1s1u s ASP 110 N -3.62 5.59 0.00 2.29 3.68 -1.24 -0.69 116.67 122.68 1s1u s ASP 110 Ca 0.32 -1.50 0.23 0.00 2.13 0.00 0.00 52.55 53.72 1s1u s ASP 110 Cb -0.04 -1.97 0.53 0.00 -1.45 0.00 0.00 42.92 39.99 1s1u s ASP 110 CO 0.18 -0.52 1.45 1.33 0.13 0.00 0.00 175.17 177.74 1s1u n VAL 111 N 4.89 0.31 -0.31 1.11 0.24 0.55 -4.64 118.33 120.48 1s1u n VAL 111 Ca -0.10 -0.56 0.16 0.00 -2.04 0.00 0.00 64.34 61.80 1s1u n VAL 111 Cb 0.43 0.84 0.31 0.00 -1.47 0.00 0.00 33.84 33.95 1s1u n VAL 111 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s1u n GLY 112 N 1.35 -1.15 0.10 7.63 0.00 -1.17 -1.32 105.19 110.64 1s1u n GLY 112 Ca 0.18 0.86 0.08 0.00 0.00 0.00 0.00 46.02 47.14 1s1u n GLY 112 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s1u n ASP 113 N -5.29 0.39 0.25 1.61 10.43 -1.26 -2.57 116.55 120.11 1s1u n ASP 113 Ca 0.24 0.66 -0.15 0.00 2.57 0.00 0.00 54.79 58.10 1s1u n ASP 113 Cb 0.78 -0.72 -0.08 0.00 1.84 0.00 0.00 41.12 42.94 1s1u n ASP 113 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1s1u h ALA 114 N 2.08 -0.62 -0.87 2.24 0.00 -1.54 -3.04 119.26 117.50 1s1u h ALA 114 Ca 0.00 -0.17 0.35 0.00 0.00 0.00 0.00 54.91 55.09 1s1u h ALA 114 Cb 0.07 0.24 -0.16 0.00 0.00 0.00 0.00 17.79 17.95 1s1u h ALA 114 CO 0.00 -0.77 0.41 0.66 0.00 0.00 0.00 179.25 179.55 1s1u n TYR 115 N -5.30 0.95 0.06 0.00 4.01 -1.06 -0.33 117.16 115.49 1s1u n TYR 115 Ca -0.11 1.03 0.03 0.00 -0.16 0.00 0.00 57.90 58.69 1s1u n TYR 115 Cb 0.29 -1.40 0.17 0.00 -0.31 0.00 0.00 39.34 38.09 1s1u n TYR 115 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1s1u n PHE 116 N -5.01 0.21 0.47 -0.72 3.72 -1.15 -0.44 117.46 114.55 1s1u n PHE 116 Ca 0.31 0.11 0.12 0.00 -0.05 0.00 0.00 57.45 57.94 1s1u n PHE 116 Cb 1.06 -0.67 0.23 0.00 -0.94 0.00 0.00 39.48 39.15 1s1u n PHE 116 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1s1u h SER 117 N 0.00 0.00 -3.14 4.37 4.64 -0.87 -3.45 113.55 115.10 1s1u h SER 117 Ca 0.00 -0.08 -0.63 0.00 -0.47 0.00 0.00 61.79 60.61 1s1u h SER 117 Cb 0.01 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.97 1s1u h SER 117 CO 0.00 0.04 -0.54 -0.69 -0.87 0.00 0.00 176.83 174.77 1s1u s VAL 118 N -3.18 5.02 0.59 0.95 1.01 0.42 -5.04 120.40 120.17 1s1u s VAL 118 Ca 0.07 0.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 1s1u s VAL 118 Cb 0.11 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 1s1u s VAL 118 CO 0.68 0.51 1.03 -2.16 0.00 0.00 0.00 175.10 175.16 1s1u s PRO 119 N -0.11 3.50 -0.07 2.72 0.04 -1.26 -0.90 135.00 138.92 1s1u s PRO 119 Ca 0.08 1.02 -0.04 0.00 0.04 0.00 0.00 61.00 62.10 1s1u s PRO 119 Cb -0.12 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 1s1u s PRO 119 CO 0.01 -0.65 0.13 -1.17 0.04 0.00 0.00 177.00 175.36 1s1u s LEU 120 N -4.61 4.23 -0.29 -3.56 2.96 0.29 -4.49 118.68 113.21 1s1u s LEU 120 Ca 0.60 0.36 -0.36 0.00 -0.22 0.00 0.00 54.13 54.51 1s1u s LEU 120 Cb -0.13 -2.21 -0.12 0.00 0.50 0.00 0.00 46.19 44.23 1s1u s LEU 120 CO 0.40 0.35 2.06 -0.67 -1.32 0.00 0.00 176.35 177.17 1s1u n ASP 121 N 1.63 2.43 -0.28 3.68 2.03 -1.26 -4.82 116.55 119.95 1s1u n ASP 121 Ca -0.17 0.62 0.18 0.00 0.52 0.00 0.00 54.79 55.95 1s1u n ASP 121 Cb 0.54 -1.26 0.35 0.00 -0.72 0.00 0.00 41.12 40.02 1s1u n ASP 121 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1s1u n GLU 122 N 7.44 -0.06 0.00 -0.67 4.71 -1.26 0.35 120.64 131.15 1s1u n GLU 122 Ca 0.35 1.21 0.08 0.00 -0.01 0.00 0.00 57.16 58.79 1s1u n GLU 122 Cb 0.23 -2.02 0.49 0.00 -1.01 0.00 0.00 31.44 29.13 1s1u n GLU 122 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1s1u n ASP 123 N -5.07 0.00 -0.07 1.62 9.92 -1.26 -3.15 116.55 118.54 1s1u n ASP 123 Ca 0.24 -1.31 -0.09 0.00 -0.53 0.00 0.00 54.79 53.11 1s1u n ASP 123 Cb 0.82 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 41.22 1s1u n ASP 123 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1s1u n PHE 124 N -0.78 0.00 -0.21 1.24 7.35 0.16 -4.69 117.46 120.53 1s1u n PHE 124 Ca 0.12 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.99 1s1u n PHE 124 Cb 0.06 -0.58 0.33 0.00 0.35 0.00 0.00 39.48 39.64 1s1u n PHE 124 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1s1u n ARG 125 N -2.79 -0.04 0.03 -4.13 1.74 -1.10 0.15 116.66 110.52 1s1u n ARG 125 Ca -0.24 0.89 0.05 0.00 -0.77 0.00 0.00 57.85 57.77 1s1u n ARG 125 Cb 0.81 -1.55 0.46 0.00 -1.02 0.00 0.00 32.46 31.16 1s1u n ARG 125 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1s1u h LYS 126 N 0.00 0.46 0.00 5.56 2.10 -1.84 -1.52 116.57 121.34 1s1u h LYS 126 Ca 0.50 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 1s1u h LYS 126 Cb 1.26 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1s1u h LYS 126 CO -0.51 0.30 0.00 1.88 -2.00 0.00 0.00 179.45 179.12 1s1u h TYR 127 N 0.47 0.00 -0.21 0.07 0.05 -0.64 -2.55 116.97 114.16 1s1u h TYR 127 Ca 0.13 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 1s1u h TYR 127 Cb -0.04 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 1s1u h TYR 127 CO -0.00 0.00 0.01 0.25 -1.05 0.00 0.00 178.16 177.37 1s1u n THR 128 N -2.79 1.00 -2.33 -2.88 -2.24 -0.57 -4.70 114.28 99.77 1s1u n THR 128 Ca -0.00 -0.49 -0.41 0.00 -2.27 0.00 0.00 64.05 60.88 1s1u n THR 128 Cb 0.21 -0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 67.96 1s1u n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s1u s ALA 129 N -1.58 3.45 0.21 6.98 0.00 -0.96 -4.12 121.76 125.74 1s1u s ALA 129 Ca 0.19 1.04 -0.04 0.00 0.00 0.00 0.00 51.96 53.15 1s1u s ALA 129 Cb 0.14 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 1s1u s ALA 129 CO 0.05 -0.37 0.21 -0.59 0.00 0.00 0.00 175.76 175.06 1s1u s PHE 130 N -1.02 0.97 -0.01 0.00 -0.12 -0.68 -1.17 117.98 115.95 1s1u s PHE 130 Ca 0.47 -1.23 0.02 0.00 -0.05 0.00 0.00 56.93 56.15 1s1u s PHE 130 Cb -0.35 -0.39 -0.00 0.00 -0.63 0.00 0.00 43.02 41.65 1s1u s PHE 130 CO 0.45 -0.71 -0.07 0.99 -0.05 0.00 0.00 175.22 175.82 1s1u s THR 131 N -4.12 0.56 -0.46 -4.49 2.01 -1.26 -2.63 115.64 105.25 1s1u s THR 131 Ca 0.35 -0.30 -0.19 0.00 0.31 0.00 0.00 61.69 61.86 1s1u s THR 131 Cb 0.05 -0.47 0.03 0.00 0.01 0.00 0.00 72.50 72.12 1s1u s THR 131 CO 0.11 0.16 0.59 -0.63 -0.69 0.00 0.00 174.62 174.16 1s1u s ILE 132 N -0.14 4.91 0.72 1.82 -1.09 0.26 -4.73 121.20 122.95 1s1u s ILE 132 Ca 0.02 -0.21 -0.12 0.00 -2.23 0.00 0.00 60.65 58.11 1s1u s ILE 132 Cb -0.03 -4.20 0.03 0.00 -1.58 0.00 0.00 42.46 36.69 1s1u s ILE 132 CO -0.00 -0.63 1.10 -2.16 -1.23 0.00 0.00 174.94 172.02 1s1u s PRO 133 N 2.59 2.48 -0.07 2.79 0.04 -1.26 -0.50 135.00 141.06 1s1u s PRO 133 Ca 0.17 1.27 0.01 0.00 0.04 0.00 0.00 61.00 62.49 1s1u s PRO 133 Cb -0.17 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1s1u s PRO 133 CO 0.15 -1.48 -0.07 0.45 0.04 0.00 0.00 177.00 176.09 1s1u s SER 134 N -3.02 4.60 0.21 6.66 0.15 -1.26 -4.87 113.70 116.17 1s1u s SER 134 Ca 0.64 -0.05 -0.31 0.00 0.70 0.00 0.00 55.95 56.93 1s1u s SER 134 Cb -0.19 -1.21 -0.10 0.00 -1.71 0.00 0.00 66.02 62.82 1s1u s SER 134 CO 0.50 0.34 1.48 -0.63 1.20 0.00 0.00 173.24 176.12 1s1u s ILE 135 N -0.69 2.72 -1.91 6.45 1.09 -1.26 -1.97 121.20 125.63 1s1u s ILE 135 Ca 0.10 0.56 0.00 0.00 -1.10 0.00 0.00 60.65 60.21 1s1u s ILE 135 Cb -0.11 -3.36 0.00 0.00 -1.06 0.00 0.00 42.46 37.93 1s1u s ILE 135 CO 0.02 0.07 0.00 -3.20 -0.10 0.00 0.00 174.94 171.72 1s1u n ASN 136 N 3.06 -4.81 -1.76 3.58 5.15 -1.26 -0.92 115.26 118.30 1s1u n ASN 136 Ca 0.10 0.45 -0.20 0.00 -0.60 0.00 0.00 54.58 54.33 1s1u n ASN 136 Cb 0.40 -4.29 -0.07 0.00 -0.53 0.00 0.00 39.78 35.29 1s1u n ASN 136 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1s1u n ASN 137 N -1.07 -5.29 0.31 1.20 4.13 -0.83 -4.79 115.26 108.92 1s1u n ASN 137 Ca -0.18 0.38 0.21 0.00 1.68 0.00 0.00 54.58 56.67 1s1u n ASN 137 Cb 0.60 -4.63 1.03 0.00 -1.54 0.00 0.00 39.78 35.23 1s1u n ASN 137 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1s1u h GLU 138 N 0.00 0.00 -5.66 3.52 5.08 -1.24 -3.42 114.58 112.86 1s1u h GLU 138 Ca -0.42 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.47 1s1u h GLU 138 Cb 1.30 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.38 1s1u h GLU 138 CO 0.58 0.00 -0.76 0.99 -1.00 0.00 0.00 179.01 178.82 1s1u s THR 139 N -3.97 1.66 0.21 1.13 2.01 -1.26 -5.05 115.64 110.36 1s1u s THR 139 Ca -0.03 -1.98 -0.10 0.00 0.31 0.00 0.00 61.69 59.89 1s1u s THR 139 Cb 0.11 -1.84 0.15 0.00 0.01 0.00 0.00 72.50 70.93 1s1u s THR 139 CO 0.45 -0.45 1.85 -0.65 -0.69 0.00 0.00 174.62 175.13 1s1u h PRO 140 N 3.05 1.01 0.00 4.92 0.11 -1.97 -3.41 132.00 135.72 1s1u h PRO 140 Ca -0.40 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1s1u h PRO 140 Cb 1.21 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1s1u h PRO 140 CO 0.55 0.72 0.00 0.41 -0.21 0.00 0.00 178.00 179.47 1s1u n GLY 141 N -1.18 3.04 3.67 -0.55 0.00 -1.26 -4.79 105.19 104.12 1s1u n GLY 141 Ca 0.07 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 1s1u n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s1u s ILE 142 N 0.00 4.70 -0.07 -0.61 1.01 0.34 -4.76 121.20 121.81 1s1u s ILE 142 Ca 0.00 2.03 0.01 0.00 0.00 0.00 0.00 60.65 62.69 1s1u s ILE 142 Cb 0.00 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 1s1u s ILE 142 CO 0.00 -0.14 -0.08 -0.13 0.00 0.00 0.00 174.94 174.58 1s1u s ARG 143 N 2.96 2.72 0.26 2.79 0.52 -1.26 0.90 118.95 127.83 1s1u s ARG 143 Ca 0.45 -0.58 -0.00 0.00 -0.52 0.00 0.00 55.73 55.08 1s1u s ARG 143 Cb -0.16 -2.55 -0.03 0.00 0.52 0.00 0.00 34.95 32.73 1s1u s ARG 143 CO 0.08 0.64 0.26 0.71 0.02 0.00 0.00 175.30 177.01 1s1u s TYR 144 N -0.76 1.23 0.10 -0.53 2.02 -1.08 -1.19 117.35 117.14 1s1u s TYR 144 Ca 0.12 -1.38 -0.08 0.00 -0.37 0.00 0.00 57.07 55.36 1s1u s TYR 144 Cb -0.11 -0.46 -0.01 0.00 -0.40 0.00 0.00 41.96 40.98 1s1u s TYR 144 CO 0.01 -0.81 0.18 1.14 -1.57 0.00 0.00 175.55 174.50 1s1u s GLN 145 N -3.80 0.88 0.30 -0.62 -2.07 -0.55 -1.69 119.66 112.11 1s1u s GLN 145 Ca 0.37 -1.04 -0.15 0.00 -1.82 0.00 0.00 55.36 52.71 1s1u s GLN 145 Cb 0.04 0.33 -0.09 0.00 -1.09 0.00 0.00 33.01 32.20 1s1u s GLN 145 CO 0.17 -0.28 0.71 0.71 -1.32 0.00 0.00 175.29 175.29 1s1u s TYR 146 N -3.89 3.42 -0.07 9.60 1.51 -1.26 -1.27 117.35 125.38 1s1u s TYR 146 Ca 0.08 1.21 0.08 0.00 -1.01 0.00 0.00 57.07 57.43 1s1u s TYR 146 Cb 0.05 -2.52 -0.11 0.00 -0.11 0.00 0.00 41.96 39.27 1s1u s TYR 146 CO -0.08 0.15 0.05 0.09 -1.11 0.00 0.00 175.55 174.65 1s1u n ASN 147 N -0.17 2.89 -3.50 2.29 5.03 0.92 -4.61 115.26 118.12 1s1u n ASN 147 Ca 0.02 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.34 1s1u n ASN 147 Cb 0.53 0.81 0.01 0.00 -1.02 0.00 0.00 39.78 40.10 1s1u n ASN 147 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 1s1u n VAL 148 N -2.25 0.00 -2.39 2.41 0.24 -1.10 0.10 118.33 115.34 1s1u n VAL 148 Ca -0.12 -1.11 -0.42 0.00 -2.04 0.00 0.00 64.34 60.65 1s1u n VAL 148 Cb 0.71 -0.37 -0.03 0.00 -1.47 0.00 0.00 33.84 32.67 1s1u n VAL 148 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1s1u s LEU 149 N 0.00 4.34 0.04 1.34 1.43 -0.07 -4.11 118.68 121.64 1s1u s LEU 149 Ca 0.20 2.00 -0.16 0.00 -1.03 0.00 0.00 54.13 55.14 1s1u s LEU 149 Cb -0.02 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.57 1s1u s LEU 149 CO 0.13 -0.54 0.47 -2.16 0.23 0.00 0.00 176.35 174.47 1s1u s PRO 150 N 1.53 4.00 0.43 1.29 0.04 -1.26 -4.00 135.00 137.04 1s1u s PRO 150 Ca 0.59 0.51 -0.25 0.00 0.04 0.00 0.00 61.00 61.88 1s1u s PRO 150 Cb -0.29 -3.19 -0.09 0.00 0.04 0.00 0.00 34.50 30.97 1s1u s PRO 150 CO 0.27 0.65 1.37 1.04 0.04 0.00 0.00 177.00 180.37 1s1u n GLN 151 N 1.65 2.13 -0.17 4.56 6.02 -1.26 -2.64 117.38 127.67 1s1u n GLN 151 Ca -0.12 0.76 0.00 0.00 -0.01 0.00 0.00 57.00 57.63 1s1u n GLN 151 Cb 0.52 -2.52 0.00 0.00 1.02 0.00 0.00 30.24 29.25 1s1u n GLN 151 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s1u n GLY 152 N 0.68 1.82 3.63 1.08 0.00 -1.26 -4.80 105.19 106.33 1s1u n GLY 152 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1s1u n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1s1u s TRP 153 N -2.88 3.29 0.49 1.61 -0.00 -1.08 -4.68 118.94 115.68 1s1u s TRP 153 Ca 0.00 0.67 0.29 0.00 -0.00 0.00 0.00 56.10 57.06 1s1u s TRP 153 Cb 0.00 -2.71 1.37 0.00 -0.00 0.00 0.00 33.47 32.12 1s1u s TRP 153 CO 0.00 -0.25 1.81 1.57 -0.00 0.00 0.00 176.95 180.09 1s1u h LYS 154 N 7.90 0.15 -0.58 5.86 2.10 -1.92 0.08 116.57 130.15 1s1u h LYS 154 Ca -0.30 -0.01 0.03 0.00 -2.00 0.00 0.00 60.65 58.38 1s1u h LYS 154 Cb 1.14 -0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 32.40 1s1u h LYS 154 CO 0.72 0.10 0.34 0.78 -2.00 0.00 0.00 179.45 179.39 1s1u h GLY 155 N 0.15 0.83 -0.66 0.07 0.00 -1.94 -3.24 103.07 98.28 1s1u h GLY 155 Ca 0.54 -0.25 0.07 0.00 0.00 0.00 0.00 47.33 47.70 1s1u h GLY 155 CO -0.11 0.20 -0.55 1.76 0.00 0.00 0.00 176.54 177.83 1s1u h SER 156 N 0.66 -1.92 -0.68 0.19 0.02 -1.25 -0.63 113.55 109.94 1s1u h SER 156 Ca 0.24 0.28 0.08 0.00 -0.84 0.00 0.00 61.79 61.55 1s1u h SER 156 Cb 0.06 0.83 -0.06 0.00 0.14 0.00 0.00 62.40 63.37 1s1u h SER 156 CO -0.12 -0.33 0.35 -0.65 -1.14 0.00 0.00 176.83 174.95 1s1u h PRO 157 N -0.21 0.60 0.00 3.45 0.11 -1.71 0.11 132.00 134.35 1s1u h PRO 157 Ca 0.13 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1s1u h PRO 157 Cb 0.52 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1s1u h PRO 157 CO -0.75 0.40 0.00 0.00 -0.21 0.00 0.00 178.00 177.44 1s1u n ALA 158 N -2.39 -0.27 -0.18 -0.75 0.00 -0.81 0.72 120.51 116.82 1s1u n ALA 158 Ca 0.10 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.83 1s1u n ALA 158 Cb 0.23 0.05 0.64 0.00 0.00 0.00 0.00 19.45 20.37 1s1u n ALA 158 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1s1u h ILE 159 N 0.00 0.20 -0.01 0.00 2.04 -1.03 0.95 117.51 119.66 1s1u h ILE 159 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1s1u h ILE 159 Cb 0.00 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1s1u h ILE 159 CO 0.00 0.00 -0.52 0.33 0.00 0.00 0.00 178.15 177.96 1s1u n PHE 160 N -3.65 0.00 -0.16 1.37 -0.00 0.39 -4.51 117.46 110.90 1s1u n PHE 160 Ca 0.21 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.56 1s1u n PHE 160 Cb 1.22 -0.03 -0.07 0.00 -0.00 0.00 0.00 39.48 40.60 1s1u n PHE 160 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.76 177.13 1s1u h GLN 161 N 1.79 -0.21 -0.39 -4.13 5.75 0.69 -0.15 115.11 118.46 1s1u h GLN 161 Ca 0.00 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.55 1s1u h GLN 161 Cb 0.67 0.05 -0.06 0.00 1.07 0.00 0.00 27.48 29.21 1s1u h GLN 161 CO 0.00 -0.14 -0.33 0.77 -2.65 0.00 0.00 178.83 176.48 1s1u h SER 162 N -0.22 -1.15 -0.64 -0.69 0.02 -1.79 0.38 113.55 109.46 1s1u h SER 162 Ca 0.07 0.16 0.17 0.00 -0.84 0.00 0.00 61.79 61.35 1s1u h SER 162 Cb 0.40 0.49 -0.03 0.00 0.14 0.00 0.00 62.40 63.40 1s1u h SER 162 CO -0.51 -0.19 0.45 -1.28 -1.14 0.00 0.00 176.83 174.16 1s1u h SER 163 N -0.13 0.10 0.48 3.07 0.87 -1.77 -1.86 113.55 114.32 1s1u h SER 163 Ca 0.06 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 1s1u h SER 163 Cb 0.29 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1s1u h SER 163 CO -0.43 0.05 -0.23 -0.03 -0.53 0.00 0.00 176.83 175.66 1s1u h MET 164 N 0.11 -0.63 -0.89 2.24 -1.53 0.15 -2.72 114.93 111.66 1s1u h MET 164 Ca 0.31 0.04 0.22 0.00 -3.44 0.00 0.00 59.70 56.83 1s1u h MET 164 Cb 1.06 0.14 -0.16 0.00 -0.55 0.00 0.00 31.60 32.10 1s1u h MET 164 CO -0.03 -0.42 0.01 1.79 0.14 0.00 0.00 176.91 178.40 1s1u h THR 165 N -0.84 0.17 -0.08 -0.77 1.35 -0.12 -1.06 112.91 111.57 1s1u h THR 165 Ca -0.07 -0.02 0.04 0.00 -0.55 0.00 0.00 66.41 65.81 1s1u h THR 165 Cb 0.50 0.10 -0.06 0.00 -1.73 0.00 0.00 68.15 66.96 1s1u h THR 165 CO 0.11 0.01 -0.34 0.11 -0.25 0.00 0.00 175.52 175.16 1s1u h LYS 166 N 0.06 -0.43 0.00 4.72 6.56 -1.27 0.66 116.57 126.87 1s1u h LYS 166 Ca 0.51 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 60.13 1s1u h LYS 166 Cb 0.97 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.73 1s1u h LYS 166 CO -0.81 -0.29 0.00 1.51 -2.06 0.00 0.00 179.45 177.81 1s1u n ILE 167 N -5.42 0.39 0.52 1.86 3.06 -0.47 -3.22 119.36 116.08 1s1u n ILE 167 Ca -0.04 0.10 0.05 0.00 -2.50 0.00 0.00 62.75 60.36 1s1u n ILE 167 Cb 0.34 -0.80 -0.05 0.00 0.54 0.00 0.00 39.64 39.66 1s1u n ILE 167 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1s1u n LEU 168 N -1.24 0.65 0.04 9.51 4.77 0.04 -4.61 117.00 126.16 1s1u n LEU 168 Ca 0.09 -0.54 -0.00 0.00 -0.03 0.00 0.00 56.01 55.53 1s1u n LEU 168 Cb 0.13 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.52 1s1u n LEU 168 CO 0.13 0.15 0.88 1.05 -1.33 0.00 0.00 177.39 178.27 1s1u h GLU 169 N 0.21 0.43 0.78 3.23 4.11 -1.01 -2.13 114.58 120.20 1s1u h GLU 169 Ca 0.00 -0.11 -0.04 0.00 0.07 0.00 0.00 59.36 59.29 1s1u h GLU 169 Cb 0.28 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1s1u h GLU 169 CO 0.00 0.53 -0.46 -1.00 0.07 0.00 0.00 179.01 178.15 1s1u h PRO 170 N 0.40 -1.12 -0.48 1.06 0.13 -1.81 -2.15 132.00 128.03 1s1u h PRO 170 Ca 0.08 0.08 0.08 0.00 -0.87 0.00 0.00 66.00 65.36 1s1u h PRO 170 Cb 0.42 0.25 -0.06 0.00 0.13 0.00 0.00 31.00 31.74 1s1u h PRO 170 CO 0.02 -0.74 0.11 0.35 -0.23 0.00 0.00 178.00 177.51 1s1u h PHE 171 N -1.16 0.19 -0.90 1.56 3.57 -1.86 1.24 116.94 119.58 1s1u h PHE 171 Ca -0.11 0.03 0.24 0.00 3.53 0.00 0.00 57.97 61.66 1s1u h PHE 171 Cb 0.92 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.60 1s1u h PHE 171 CO -0.07 0.02 0.62 0.00 -2.23 0.00 0.00 178.31 176.66 1s1u h ARG 172 N 0.26 0.17 0.00 1.11 3.08 -1.18 0.70 114.38 118.52 1s1u h ARG 172 Ca 0.24 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.15 1s1u h ARG 172 Cb 0.30 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1s1u h ARG 172 CO -0.29 0.11 -1.83 1.63 -1.07 0.00 0.00 179.97 178.52 1s1u n LYS 173 N -4.38 1.07 0.00 0.04 5.02 -0.75 -2.82 118.16 116.34 1s1u n LYS 173 Ca 0.19 -0.07 0.13 0.00 -2.02 0.00 0.00 58.31 56.54 1s1u n LYS 173 Cb 0.86 -1.36 0.63 0.00 -0.02 0.00 0.00 35.03 35.14 1s1u n LYS 173 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1s1u n GLN 174 N -2.27 0.28 -2.73 1.97 7.27 0.42 -3.95 117.38 118.37 1s1u n GLN 174 Ca -0.13 0.04 -0.08 0.00 0.07 0.00 0.00 57.00 56.90 1s1u n GLN 174 Cb 0.67 -1.50 0.10 0.00 2.41 0.00 0.00 30.24 31.92 1s1u n GLN 174 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1s1u n ASN 175 N -1.34 -1.79 0.00 1.69 4.13 0.23 -4.98 115.26 113.20 1s1u n ASN 175 Ca 0.11 -2.99 0.01 0.00 1.68 0.00 0.00 54.58 53.40 1s1u n ASN 175 Cb 0.23 1.23 0.08 0.00 -1.54 0.00 0.00 39.78 39.78 1s1u n ASN 175 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1s1u n PRO 176 N -0.16 0.13 0.00 3.52 -0.02 -1.13 -1.71 135.00 135.64 1s1u n PRO 176 Ca 0.02 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.64 1s1u n PRO 176 Cb 0.78 -1.33 0.59 0.00 -0.02 0.00 0.00 33.50 33.53 1s1u n PRO 176 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1s1u n ASP 177 N -0.83 0.67 -4.56 2.55 5.75 -1.26 -4.79 116.55 114.08 1s1u n ASP 177 Ca 0.02 -0.80 -0.34 0.00 -0.01 0.00 0.00 54.79 53.66 1s1u n ASP 177 Cb 0.01 -0.02 -0.11 0.00 -1.03 0.00 0.00 41.12 39.96 1s1u n ASP 177 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1s1u s ILE 178 N -2.36 3.82 -0.11 2.12 1.09 -0.69 -4.62 121.20 120.44 1s1u s ILE 178 Ca 0.31 -0.42 -0.03 0.00 -1.10 0.00 0.00 60.65 59.42 1s1u s ILE 178 Cb 0.20 -2.60 -0.03 0.00 -1.06 0.00 0.00 42.46 38.97 1s1u s ILE 178 CO 0.45 0.57 0.00 -0.69 -0.10 0.00 0.00 174.94 175.17 1s1u s VAL 179 N -0.43 4.28 -0.06 2.92 1.01 -0.44 -4.95 120.40 122.73 1s1u s VAL 179 Ca 0.07 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1s1u s VAL 179 Cb -0.12 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.44 1s1u s VAL 179 CO 0.02 0.57 -0.11 -0.63 0.00 0.00 0.00 175.10 174.95 1s1u s ILE 180 N -0.49 1.06 0.01 2.22 1.01 -1.26 0.75 121.20 124.50 1s1u s ILE 180 Ca 0.09 -0.44 0.06 0.00 0.00 0.00 0.00 60.65 60.37 1s1u s ILE 180 Cb -0.12 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.36 1s1u s ILE 180 CO 0.02 0.34 -0.20 -0.47 0.00 0.00 0.00 174.94 174.63 1s1u s TYR 181 N 0.68 1.74 -0.17 3.97 6.04 0.22 -4.97 117.35 124.86 1s1u s TYR 181 Ca -0.14 -0.35 0.00 0.00 0.04 0.00 0.00 57.07 56.62 1s1u s TYR 181 Cb -0.16 -1.08 0.01 0.00 -1.04 0.00 0.00 41.96 39.69 1s1u s TYR 181 CO 0.03 0.03 -0.17 -1.14 -1.54 0.00 0.00 175.55 172.76 1s1u s GLN 182 N -0.81 3.13 -0.15 4.97 0.74 -1.26 0.22 119.66 126.50 1s1u s GLN 182 Ca 0.07 -0.78 -0.01 0.00 0.05 0.00 0.00 55.36 54.69 1s1u s GLN 182 Cb -0.08 -2.62 0.04 0.00 1.10 0.00 0.00 33.01 31.45 1s1u s GLN 182 CO 0.00 -0.08 -0.02 -0.47 -0.55 0.00 0.00 175.29 174.18 1s1u s TYR 183 N 1.03 1.28 0.00 1.67 6.14 0.17 -5.02 117.35 122.62 1s1u s TYR 183 Ca -0.01 -0.80 0.00 0.00 0.64 0.00 0.00 57.07 56.90 1s1u s TYR 183 Cb -0.15 -1.12 0.00 0.00 0.42 0.00 0.00 41.96 41.11 1s1u s TYR 183 CO -0.04 -0.54 0.00 -1.33 0.64 0.00 0.00 175.55 174.27 1s1u n MET 184 N 4.99 0.00 0.00 4.97 2.81 -1.26 -0.64 117.12 127.99 1s1u n MET 184 Ca -0.10 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.90 1s1u n MET 184 Cb 0.48 0.00 0.65 0.00 -0.71 0.00 0.00 33.22 33.65 1s1u n MET 184 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1s1u n ASP 185 N 1.72 0.00 -4.78 7.83 10.43 -1.26 -4.83 116.55 125.66 1s1u n ASP 185 Ca 0.00 -0.54 -0.35 0.00 2.57 0.00 0.00 54.79 56.47 1s1u n ASP 185 Cb 0.00 -0.07 -0.07 0.00 1.84 0.00 0.00 41.12 42.81 1s1u n ASP 185 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 1s1u s ASP 186 N -2.15 5.77 -0.23 -2.24 1.01 0.19 -0.33 116.67 118.70 1s1u s ASP 186 Ca 0.31 0.26 -0.01 0.00 0.71 0.00 0.00 52.55 53.82 1s1u s ASP 186 Cb 0.16 -1.73 0.02 0.00 1.01 0.00 0.00 42.92 42.38 1s1u s ASP 186 CO 0.29 0.36 -0.09 -0.22 0.21 0.00 0.00 175.17 175.71 1s1u s LEU 187 N -1.20 2.88 -0.42 1.23 2.96 0.14 -0.66 118.68 123.60 1s1u s LEU 187 Ca 0.17 -0.72 -0.14 0.00 -0.22 0.00 0.00 54.13 53.22 1s1u s LEU 187 Cb -0.12 -1.63 0.04 0.00 0.50 0.00 0.00 46.19 44.98 1s1u s LEU 187 CO 0.07 -0.07 0.30 -0.31 -1.32 0.00 0.00 176.35 175.01 1s1u s TYR 188 N 1.35 3.25 -0.49 5.38 1.51 0.13 -0.12 117.35 128.35 1s1u s TYR 188 Ca 0.02 -0.81 -0.14 0.00 -1.01 0.00 0.00 57.07 55.13 1s1u s TYR 188 Cb -0.15 -2.72 0.10 0.00 -0.11 0.00 0.00 41.96 39.08 1s1u s TYR 188 CO -0.06 -0.67 0.42 0.08 -1.11 0.00 0.00 175.55 174.21 1s1u s VAL 189 N 1.63 5.03 0.25 0.71 1.01 0.29 -0.61 120.40 128.70 1s1u s VAL 189 Ca 0.04 -1.33 0.02 0.00 0.00 0.00 0.00 61.98 60.71 1s1u s VAL 189 Cb -0.21 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 1s1u s VAL 189 CO 0.08 -0.70 0.40 -0.83 0.00 0.00 0.00 175.10 174.05 1s1u s GLY 190 N 2.95 1.44 0.11 4.51 0.00 0.23 -1.15 107.32 115.41 1s1u s GLY 190 Ca 0.04 -1.03 -0.25 0.00 0.00 0.00 0.00 44.72 43.47 1s1u s GLY 190 CO 0.04 -1.02 1.10 -1.35 0.00 0.00 0.00 173.10 171.87 1s1u s SER 191 N -3.72 -0.06 0.00 1.64 1.04 0.10 -1.33 113.70 111.38 1s1u s SER 191 Ca 0.37 -0.44 0.01 0.00 0.48 0.00 0.00 55.95 56.37 1s1u s SER 191 Cb -0.10 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.42 1s1u s SER 191 CO 0.31 -0.75 0.50 0.47 0.98 0.00 0.00 173.24 174.75 1s1u n ASP 192 N -0.86 1.02 -3.99 7.02 10.43 -1.26 -0.80 116.55 128.11 1s1u n ASP 192 Ca -0.04 -1.01 -0.28 0.00 2.57 0.00 0.00 54.79 56.03 1s1u n ASP 192 Cb 0.60 0.08 0.18 0.00 1.84 0.00 0.00 41.12 43.82 1s1u n ASP 192 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1s1u n LEU 193 N -0.01 -1.90 -4.76 0.64 4.32 -1.26 -4.85 117.00 109.17 1s1u n LEU 193 Ca 0.01 -0.27 -0.39 0.00 -0.02 0.00 0.00 56.01 55.34 1s1u n LEU 193 Cb 0.03 -0.90 -0.05 0.00 -1.62 0.00 0.00 43.42 40.88 1s1u n LEU 193 CO 0.01 -3.23 0.72 -0.70 -1.22 0.00 0.00 177.39 172.96 1s1u s GLU 194 N -3.57 4.61 0.62 3.23 2.56 -1.26 -4.76 118.70 120.13 1s1u s GLU 194 Ca 0.51 1.59 0.26 0.00 0.00 0.00 0.00 54.97 57.32 1s1u s GLU 194 Cb -0.10 -3.04 1.29 0.00 2.00 0.00 0.00 34.13 34.28 1s1u s GLU 194 CO 0.55 0.25 1.72 0.97 -0.56 0.00 0.00 175.26 178.19 1s1u h ILE 195 N 2.88 0.16 0.07 -3.70 6.09 -1.98 0.45 117.51 121.47 1s1u h ILE 195 Ca -0.46 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.02 1s1u h ILE 195 Cb 1.21 0.48 0.00 0.00 0.47 0.00 0.00 36.82 38.97 1s1u h ILE 195 CO 0.66 0.00 -0.04 1.23 -3.07 0.00 0.00 178.15 176.94 1s1u h GLY 196 N 0.00 -0.10 0.78 8.18 0.00 -2.01 -2.82 103.07 107.10 1s1u h GLY 196 Ca 0.17 0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.56 1s1u h GLY 196 CO -0.00 -0.04 0.08 1.46 0.00 0.00 0.00 176.54 178.04 1s1u h GLN 197 N -0.81 0.19 -0.14 4.80 1.08 -0.67 -3.00 115.11 116.56 1s1u h GLN 197 Ca -0.01 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.22 1s1u h GLN 197 Cb 0.61 -0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 27.93 1s1u h GLN 197 CO 0.02 0.13 -0.44 1.25 -0.95 0.00 0.00 178.83 178.84 1s1u h HIS 198 N 0.20 -1.25 -0.77 2.96 2.76 -0.60 -1.63 115.15 116.81 1s1u h HIS 198 Ca 0.11 0.05 0.16 0.00 -2.20 0.00 0.00 60.37 58.49 1s1u h HIS 198 Cb 0.09 0.57 -0.05 0.00 1.55 0.00 0.00 27.41 29.56 1s1u h HIS 198 CO -0.13 -0.48 0.52 0.00 -1.30 0.00 0.00 177.93 176.53 1s1u h ARG 199 N -0.50 0.39 0.40 5.26 3.08 -1.39 -0.51 114.38 121.11 1s1u h ARG 199 Ca 0.07 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1s1u h ARG 199 Cb 0.63 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1s1u h ARG 199 CO -0.41 0.26 -0.19 1.15 -1.07 0.00 0.00 179.97 179.71 1s1u h THR 200 N 0.40 0.39 -0.16 2.04 2.02 -1.25 -2.51 112.91 113.84 1s1u h THR 200 Ca 0.38 -0.63 0.05 0.00 0.77 0.00 0.00 66.41 66.98 1s1u h THR 200 Cb 0.91 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1s1u h THR 200 CO -0.12 0.08 0.23 0.50 0.37 0.00 0.00 175.52 176.58 1s1u h LYS 201 N -0.99 0.00 0.09 6.66 1.63 -0.72 0.04 116.57 123.28 1s1u h LYS 201 Ca -0.05 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1s1u h LYS 201 Cb 0.54 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 1s1u h LYS 201 CO 0.09 0.00 -0.04 0.82 -3.45 0.00 0.00 179.45 176.87 1s1u h ILE 202 N 0.00 1.16 -0.25 2.00 1.08 -1.05 -2.93 117.51 117.51 1s1u h ILE 202 Ca 0.08 -1.31 0.06 0.00 -0.39 0.00 0.00 64.86 63.30 1s1u h ILE 202 Cb 0.53 1.95 -0.07 0.00 -3.07 0.00 0.00 36.82 36.16 1s1u h ILE 202 CO -0.00 0.30 -0.23 -0.08 -0.69 0.00 0.00 178.15 177.45 1s1u h GLU 203 N -0.76 -0.22 -0.48 2.37 4.57 -0.56 -1.73 114.58 117.78 1s1u h GLU 203 Ca -0.01 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.28 1s1u h GLU 203 Cb 0.58 0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 29.13 1s1u h GLU 203 CO 0.02 -0.15 -0.09 0.93 -1.18 0.00 0.00 179.01 178.54 1s1u h GLU 204 N -0.23 0.02 -0.99 1.92 5.08 -1.41 0.47 114.58 119.45 1s1u h GLU 204 Ca 0.14 -0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.67 1s1u h GLU 204 Cb 0.44 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.59 1s1u h GLU 204 CO -0.38 0.01 0.62 1.25 -1.00 0.00 0.00 179.01 179.51 1s1u h LEU 205 N 0.02 0.78 -0.41 1.33 6.46 -1.15 0.13 115.31 122.48 1s1u h LEU 205 Ca 0.23 0.07 0.05 0.00 -0.12 0.00 0.00 57.88 58.12 1s1u h LEU 205 Cb 0.36 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.17 1s1u h LEU 205 CO -0.48 0.33 0.15 0.03 -0.62 0.00 0.00 178.44 177.86 1s1u h ARG 206 N 0.79 0.31 -0.09 1.25 3.08 0.76 -1.55 114.38 118.93 1s1u h ARG 206 Ca 0.54 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 60.40 1s1u h ARG 206 Cb 0.80 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 1s1u h ARG 206 CO -0.31 0.21 -0.67 1.96 -1.07 0.00 0.00 179.97 180.09 1s1u h GLN 207 N 0.32 0.37 0.00 0.04 7.50 -0.63 -0.78 115.11 121.93 1s1u h GLN 207 Ca 0.19 -0.28 0.00 0.00 0.50 0.00 0.00 58.65 59.06 1s1u h GLN 207 Cb 0.17 0.05 0.00 0.00 0.05 0.00 0.00 27.48 27.75 1s1u h GLN 207 CO -0.19 0.90 0.00 1.58 -1.50 0.00 0.00 178.83 179.63 1s1u n HIS 208 N -3.86 0.00 -0.08 2.96 -0.00 0.29 0.17 115.22 114.71 1s1u n HIS 208 Ca -0.03 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.04 1s1u n HIS 208 Cb 0.67 -0.33 -0.09 0.00 -0.12 0.00 0.00 29.99 30.11 1s1u n HIS 208 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1s1u n LEU 209 N -1.33 2.06 -0.07 0.27 4.77 -0.66 -4.21 117.00 117.82 1s1u n LEU 209 Ca 0.03 -0.07 0.09 0.00 -0.03 0.00 0.00 56.01 56.03 1s1u n LEU 209 Cb 0.06 -0.32 0.46 0.00 -2.33 0.00 0.00 43.42 41.29 1s1u n LEU 209 CO 0.05 0.66 1.18 -0.07 -1.33 0.00 0.00 177.39 177.88 1s1u h LEU 210 N 0.00 0.43 -1.30 2.23 -0.00 0.52 0.95 115.31 118.15 1s1u h LEU 210 Ca -0.39 0.00 0.22 0.00 -0.00 0.00 0.00 57.88 57.72 1s1u h LEU 210 Cb 1.69 -0.09 -0.09 0.00 -0.00 0.00 0.00 40.66 42.17 1s1u h LEU 210 CO -0.04 0.28 0.63 -0.09 -0.00 0.00 0.00 178.44 179.23 1s1u h ARG 211 N 0.49 0.50 0.00 1.13 9.65 -0.44 -3.35 114.38 122.36 1s1u h ARG 211 Ca 0.24 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 59.04 1s1u h ARG 211 Cb 0.32 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 1s1u h ARG 211 CO -0.07 0.33 -0.75 1.87 2.80 0.00 0.00 179.97 184.15 1s1u n TRP 212 N -4.63 0.00 0.05 2.20 -0.00 0.12 -5.11 117.44 110.07 1s1u n TRP 212 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.73 1s1u n TRP 212 Cb 0.73 -0.25 0.00 0.00 -0.00 0.00 0.00 31.31 31.79 1s1u n TRP 212 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1s1u n GLY 213 N 2.60 -0.05 0.00 5.87 0.00 0.29 -5.11 105.19 108.78 1s1u n GLY 213 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1s1u n GLY 213 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1s1u n PRO 225 N -3.21 0.00 -1.52 1.61 -0.02 -1.26 -4.87 135.00 125.72 1s1u n PRO 225 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.09 1s1u n PRO 225 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 33.52 1s1u n PRO 225 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1s1u n PRO 226 N 0.00 0.69 -2.20 0.52 -0.04 -1.26 -4.68 135.00 128.03 1s1u n PRO 226 Ca 0.00 0.27 -0.39 0.00 -0.04 0.00 0.00 63.50 63.33 1s1u n PRO 226 Cb 0.00 -1.84 -0.02 0.00 -0.04 0.00 0.00 33.50 31.61 1s1u n PRO 226 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1s1u s PHE 227 N -1.60 3.03 0.07 0.54 0.08 -1.26 -3.64 117.98 115.19 1s1u s PHE 227 Ca 0.70 1.50 0.05 0.00 0.12 0.00 0.00 56.93 59.29 1s1u s PHE 227 Cb -0.46 -3.52 -0.04 0.00 -0.57 0.00 0.00 43.02 38.43 1s1u s PHE 227 CO 0.53 -1.58 -0.03 -1.17 -0.10 0.00 0.00 175.22 172.87 1s1u s LEU 228 N -2.28 3.36 -0.41 -0.37 2.96 0.64 -3.62 118.68 118.95 1s1u s LEU 228 Ca 0.55 -0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 54.24 1s1u s LEU 228 Cb -0.34 -2.07 0.00 0.00 0.50 0.00 0.00 46.19 44.28 1s1u s LEU 228 CO 0.44 0.20 0.43 0.79 -1.32 0.00 0.00 176.35 176.89 1s1u n TRP 229 N 0.80 -1.99 -0.97 5.38 5.03 -1.26 -3.63 117.44 120.81 1s1u n TRP 229 Ca -0.12 0.77 0.00 0.00 3.03 0.00 0.00 57.50 61.18 1s1u n TRP 229 Cb 0.52 -3.16 0.00 0.00 -1.03 0.00 0.00 31.31 27.64 1s1u n TRP 229 CO 0.00 0.00 0.00 -1.33 -0.03 0.00 0.00 177.69 176.33 1s1u n MET 230 N -1.18 -1.01 0.00 -0.99 2.81 -1.26 -1.68 117.12 113.81 1s1u n MET 230 Ca 0.02 0.25 0.00 0.00 -1.81 0.00 0.00 57.70 56.16 1s1u n MET 230 Cb 0.44 -4.08 0.00 0.00 -0.71 0.00 0.00 33.22 28.87 1s1u n MET 230 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1s1u n GLY 231 N -0.87 2.07 3.02 3.03 0.00 -1.24 -4.92 105.19 106.30 1s1u n GLY 231 Ca 0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 1s1u n GLY 231 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s1u n TYR 232 N 0.00 -2.22 -2.46 1.61 0.53 -0.68 -4.33 117.16 109.60 1s1u n TYR 232 Ca 0.00 0.04 -0.25 0.00 -1.02 0.00 0.00 57.90 56.67 1s1u n TYR 232 Cb 0.00 -1.40 0.14 0.00 -1.03 0.00 0.00 39.34 37.06 1s1u n TYR 232 CO 0.00 0.00 0.00 -1.21 -1.02 0.00 0.00 176.86 174.63 1s1u s GLU 233 N -3.37 1.23 0.05 -0.72 8.01 -1.26 -4.22 118.70 118.41 1s1u s GLU 233 Ca 0.36 -1.09 -0.02 0.00 0.01 0.00 0.00 54.97 54.22 1s1u s GLU 233 Cb -0.06 -2.21 -0.03 0.00 -4.31 0.00 0.00 34.13 27.53 1s1u s GLU 233 CO 0.36 -1.82 0.02 -0.51 0.01 0.00 0.00 175.26 173.31 1s1u s LEU 234 N -5.37 2.20 -0.41 1.80 1.02 -0.10 -4.97 118.68 112.86 1s1u s LEU 234 Ca 0.70 -0.78 0.04 0.00 0.02 0.00 0.00 54.13 54.11 1s1u s LEU 234 Cb -0.03 0.34 0.17 0.00 0.02 0.00 0.00 46.19 46.69 1s1u s LEU 234 CO 0.47 -0.54 0.35 -1.00 0.02 0.00 0.00 176.35 175.65 1s1u s HIS 235 N -3.21 0.77 0.19 0.29 3.76 -1.26 -2.13 115.29 113.70 1s1u s HIS 235 Ca 0.00 -2.03 -0.13 0.00 -0.15 0.00 0.00 55.06 52.76 1s1u s HIS 235 Cb 0.03 -0.80 0.20 0.00 1.11 0.00 0.00 32.58 33.11 1s1u s HIS 235 CO -0.07 -0.87 1.72 -1.35 -0.85 0.00 0.00 174.74 173.31 1s1u h PRO 236 N 5.87 0.23 -1.25 8.40 0.11 -1.73 -2.78 132.00 140.85 1s1u h PRO 236 Ca 0.21 -0.01 0.41 0.00 0.11 0.00 0.00 66.00 66.72 1s1u h PRO 236 Cb 0.94 -0.05 -0.13 0.00 0.11 0.00 0.00 31.00 31.87 1s1u h PRO 236 CO 0.32 0.15 0.79 0.38 -0.21 0.00 0.00 178.00 179.43 1s1u h ASP 237 N 0.24 0.29 -0.31 -2.05 2.03 -1.62 0.42 116.42 115.41 1s1u h ASP 237 Ca 0.25 0.15 0.00 0.00 -0.73 0.00 0.00 57.03 56.70 1s1u h ASP 237 Cb 0.34 0.13 0.00 0.00 -0.83 0.00 0.00 39.33 38.97 1s1u h ASP 237 CO -0.33 -0.18 0.00 0.29 -1.03 0.00 0.00 179.24 177.99 1s1u n LYS 238 N -4.76 1.77 -2.98 4.15 5.02 -1.05 -4.88 118.16 115.43 1s1u n LYS 238 Ca 0.36 -1.19 -0.40 0.00 -2.02 0.00 0.00 58.31 55.05 1s1u n LYS 238 Cb 1.35 -1.28 -0.04 0.00 -0.02 0.00 0.00 35.03 35.03 1s1u n LYS 238 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1s1u s TRP 239 N -1.59 3.59 0.14 2.13 0.51 0.15 -5.04 118.94 118.83 1s1u s TRP 239 Ca 0.24 1.33 0.02 0.00 -2.12 0.00 0.00 56.10 55.57 1s1u s TRP 239 Cb 0.13 -2.87 -0.04 0.00 -0.81 0.00 0.00 33.47 29.87 1s1u s TRP 239 CO 0.17 0.06 -0.03 0.95 -0.51 0.00 0.00 176.95 177.59 1s1u s THR 240 N 0.89 0.68 0.13 2.01 -4.23 -1.26 -5.09 115.64 108.77 1s1u s THR 240 Ca 0.40 -1.96 -0.27 0.00 -1.18 0.00 0.00 61.69 58.68 1s1u s THR 240 Cb -0.18 -1.93 -0.07 0.00 1.34 0.00 0.00 72.50 71.66 1s1u s THR 240 CO 0.20 -0.64 0.83 -0.69 -0.54 0.00 0.00 174.62 173.77 1s1u s VAL 241 N -3.64 4.46 -0.60 2.29 1.01 -1.26 -4.82 120.40 117.84 1s1u s VAL 241 Ca 0.19 1.80 -0.21 0.00 0.00 0.00 0.00 61.98 63.75 1s1u s VAL 241 Cb 0.06 -4.19 0.07 0.00 0.00 0.00 0.00 36.38 32.32 1s1u s VAL 241 CO 0.00 0.44 0.84 -1.58 0.00 0.00 0.00 175.10 174.80 1s1u s GLN 242 N -0.63 3.14 0.70 2.72 2.00 -1.17 -5.01 119.66 121.40 1s1u s GLN 242 Ca 0.39 -0.86 -0.13 0.00 -2.00 0.00 0.00 55.36 52.76 1s1u s GLN 242 Cb -0.23 -4.18 0.02 0.00 0.80 0.00 0.00 33.01 29.42 1s1u s GLN 242 CO 0.27 -1.58 1.10 -1.25 -0.50 0.00 0.00 175.29 173.32 1s1u s PRO 243 N 3.45 2.65 0.09 1.67 0.04 -1.26 -4.78 135.00 136.87 1s1u s PRO 243 Ca 0.20 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 1s1u s PRO 243 Cb -0.18 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 1s1u s PRO 243 CO 0.11 -1.35 1.16 0.42 0.04 0.00 0.00 177.00 177.38 1s1u s ILE 244 N -2.58 4.01 0.28 0.56 1.01 -1.26 -4.92 121.20 118.29 1s1u s ILE 244 Ca 0.64 1.52 0.09 0.00 0.00 0.00 0.00 60.65 62.90 1s1u s ILE 244 Cb -0.19 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1s1u s ILE 244 CO 0.47 0.16 0.04 0.68 0.00 0.00 0.00 174.94 176.29 1s1u s VAL 245 N 0.67 3.47 -0.03 2.92 -7.23 -1.26 -4.74 120.40 114.19 1s1u s VAL 245 Ca 0.56 -1.83 0.05 0.00 -1.81 0.00 0.00 61.98 58.95 1s1u s VAL 245 Cb -0.29 -2.92 -0.01 0.00 0.56 0.00 0.00 36.38 33.72 1s1u s VAL 245 CO 0.31 -0.34 -0.17 -0.76 -0.31 0.00 0.00 175.10 173.83 1s1u s LEU 246 N -3.72 1.97 0.10 1.32 1.43 -1.26 -5.04 118.68 113.49 1s1u s LEU 246 Ca 0.33 -0.34 -0.31 0.00 -1.03 0.00 0.00 54.13 52.78 1s1u s LEU 246 Cb -0.06 -0.94 -0.10 0.00 0.03 0.00 0.00 46.19 45.12 1s1u s LEU 246 CO 0.21 0.18 1.87 -2.65 0.23 0.00 0.00 176.35 176.19 1s1u n PRO 247 N 2.91 2.81 -3.72 1.29 -0.02 -1.26 -4.95 135.00 132.06 1s1u n PRO 247 Ca -0.16 1.02 -0.35 0.00 -2.02 0.00 0.00 63.50 61.99 1s1u n PRO 247 Cb 0.53 -2.93 -0.08 0.00 -0.02 0.00 0.00 33.50 31.00 1s1u n PRO 247 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1s1u s GLU 248 N 3.10 4.11 0.13 -0.52 2.56 -1.26 -5.06 118.70 121.75 1s1u s GLU 248 Ca 0.83 -0.16 -0.18 0.00 0.00 0.00 0.00 54.97 55.47 1s1u s GLU 248 Cb -0.47 -3.39 0.04 0.00 2.00 0.00 0.00 34.13 32.31 1s1u s GLU 248 CO 0.38 0.35 0.45 -1.59 -0.56 0.00 0.00 175.26 174.29 1s1u s LYS 249 N 0.20 1.10 0.00 4.30 -2.85 -1.26 -5.08 119.74 116.15 1s1u s LYS 249 Ca 0.10 -0.63 -0.01 0.00 -1.00 0.00 0.00 55.97 54.43 1s1u s LYS 249 Cb -0.11 0.49 -0.01 0.00 -2.06 0.00 0.00 37.83 36.14 1s1u s LYS 249 CO -0.00 -0.44 0.89 0.22 0.10 0.00 0.00 175.35 176.11 1s1u h ASP 250 N 2.33 -0.04 -3.58 0.03 1.82 -2.06 -3.44 116.42 111.48 1s1u h ASP 250 Ca -0.34 0.00 -0.67 0.00 -0.39 0.00 0.00 57.03 55.63 1s1u h ASP 250 Cb 1.26 0.01 -0.17 0.00 0.68 0.00 0.00 39.33 41.12 1s1u h ASP 250 CO 0.45 -0.02 -0.70 -0.44 -1.61 0.00 0.00 179.24 176.91 1s1u s SER 251 N -2.21 4.63 -0.19 2.28 0.01 -1.26 -5.11 113.70 111.85 1s1u s SER 251 Ca -0.01 -0.18 -0.02 0.00 1.31 0.00 0.00 55.95 57.05 1s1u s SER 251 Cb 0.00 -1.06 -0.00 0.00 0.21 0.00 0.00 66.02 65.17 1s1u s SER 251 CO 0.02 0.26 -0.10 0.26 0.41 0.00 0.00 173.24 174.09 1s1u s TRP 252 N -1.05 2.89 0.29 2.43 0.52 -1.26 -5.04 118.94 117.71 1s1u s TRP 252 Ca 0.18 -1.02 0.03 0.00 0.02 0.00 0.00 56.10 55.32 1s1u s TRP 252 Cb -0.11 -2.00 -0.03 0.00 -1.15 0.00 0.00 33.47 30.17 1s1u s TRP 252 CO 0.09 -0.52 0.44 0.95 0.02 0.00 0.00 176.95 177.93 1s1u s THR 253 N 1.17 5.12 0.25 2.01 -4.23 -1.26 0.12 115.64 118.83 1s1u s THR 253 Ca 0.02 -0.79 -0.04 0.00 -1.18 0.00 0.00 61.69 59.70 1s1u s THR 253 Cb -0.14 -3.83 0.27 0.00 1.34 0.00 0.00 72.50 70.13 1s1u s THR 253 CO -0.03 -0.41 1.66 0.58 -0.54 0.00 0.00 174.62 175.88 1s1u h VAL 254 N 0.99 0.40 0.43 2.29 2.07 -1.17 -1.60 116.25 119.66 1s1u h VAL 254 Ca -0.51 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1s1u h VAL 254 Cb 1.23 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1s1u h VAL 254 CO 0.61 0.03 -0.47 -1.13 0.02 0.00 0.00 177.57 176.63 1s1u h ASN 255 N 0.19 -1.31 -0.98 0.57 -0.00 -1.75 -0.28 115.58 112.02 1s1u h ASN 255 Ca 0.45 0.11 0.13 0.00 -0.00 0.00 0.00 56.30 56.98 1s1u h ASN 255 Cb 0.81 0.44 -0.14 0.00 -0.00 0.00 0.00 38.32 39.43 1s1u h ASN 255 CO -0.60 -0.61 -0.45 0.47 -0.00 0.00 0.00 177.43 176.24 1s1u n ASP 256 N -5.28 -0.78 -0.23 1.15 10.43 -0.66 0.12 116.55 121.29 1s1u n ASP 256 Ca -0.11 1.71 -0.04 0.00 2.57 0.00 0.00 54.79 58.93 1s1u n ASP 256 Cb 0.42 -0.33 0.07 0.00 1.84 0.00 0.00 41.12 43.12 1s1u n ASP 256 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 1s1u h ILE 257 N 0.00 1.09 -0.29 0.53 2.04 -1.14 0.27 117.51 120.01 1s1u h ILE 257 Ca 0.27 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.88 1s1u h ILE 257 Cb 0.52 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1s1u h ILE 257 CO -0.95 0.15 0.11 1.56 0.00 0.00 0.00 178.15 179.02 1s1u h GLN 258 N 0.80 0.24 -0.28 2.37 4.20 0.15 0.28 115.11 122.87 1s1u h GLN 258 Ca 0.26 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.98 1s1u h GLN 258 Cb 0.02 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1s1u h GLN 258 CO -0.10 0.16 0.14 0.87 -0.67 0.00 0.00 178.83 179.23 1s1u h LYS 259 N 0.24 0.29 -0.07 1.46 1.57 -0.34 -0.86 116.57 118.87 1s1u h LYS 259 Ca 0.13 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1s1u h LYS 259 Cb 0.08 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1s1u h LYS 259 CO -0.12 0.19 -0.31 1.25 -0.57 0.00 0.00 179.45 179.90 1s1u h LEU 260 N 0.30 -0.97 -0.72 2.94 5.85 0.11 0.19 115.31 123.01 1s1u h LEU 260 Ca 0.11 0.11 0.15 0.00 0.84 0.00 0.00 57.88 59.10 1s1u h LEU 260 Cb 0.03 0.38 -0.11 0.00 0.37 0.00 0.00 40.66 41.33 1s1u h LEU 260 CO -0.08 -0.27 0.17 0.58 -0.34 0.00 0.00 178.44 178.50 1s1u h VAL 261 N -0.33 0.52 -0.12 1.05 2.07 -0.35 0.39 116.25 119.49 1s1u h VAL 261 Ca 0.02 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1s1u h VAL 261 Cb 0.38 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1s1u h VAL 261 CO -0.24 0.05 -0.03 1.23 0.02 0.00 0.00 177.57 178.60 1s1u h GLY 262 N 0.27 0.08 0.74 2.17 0.00 -0.49 0.58 103.07 106.42 1s1u h GLY 262 Ca 0.40 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.74 1s1u h GLY 262 CO -0.50 -0.05 -0.46 1.70 0.00 0.00 0.00 176.54 177.23 1s1u h LYS 263 N -0.00 -1.08 -0.55 4.80 3.64 0.12 -2.57 116.57 120.93 1s1u h LYS 263 Ca 0.06 0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.57 1s1u h LYS 263 Cb 0.09 0.25 -0.08 0.00 -0.41 0.00 0.00 32.23 32.07 1s1u h LYS 263 CO -0.12 -0.72 -0.49 -0.07 -2.27 0.00 0.00 179.45 175.78 1s1u h LEU 264 N -1.12 -1.69 -0.78 5.20 3.38 0.03 0.00 115.31 120.33 1s1u h LEU 264 Ca -0.10 0.24 0.16 0.00 0.09 0.00 0.00 57.88 58.27 1s1u h LEU 264 Cb 0.90 0.72 -0.15 0.00 0.09 0.00 0.00 40.66 42.22 1s1u h LEU 264 CO 0.10 -0.28 -0.18 -1.13 0.09 0.00 0.00 178.44 177.03 1s1u h ASN 265 N -0.20 -0.70 0.09 -0.43 -1.24 0.19 -0.20 115.58 113.09 1s1u h ASN 265 Ca 0.09 0.23 0.00 0.00 0.71 0.00 0.00 56.30 57.34 1s1u h ASN 265 Cb 0.44 0.48 -0.02 0.00 0.73 0.00 0.00 38.32 39.95 1s1u h ASN 265 CO -0.62 -0.25 -0.24 -0.25 -1.29 0.00 0.00 177.43 174.77 1s1u h TRP 266 N 0.01 -0.68 0.00 0.67 7.01 -0.59 -1.56 115.95 120.80 1s1u h TRP 266 Ca 0.38 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.39 1s1u h TRP 266 Cb 0.59 0.29 0.00 0.00 -2.10 0.00 0.00 29.16 27.93 1s1u h TRP 266 CO -0.61 -0.28 0.12 0.00 -2.79 0.00 0.00 178.44 174.89 1s1u n ALA 267 N -2.63 0.76 0.41 2.65 0.00 -0.61 -0.85 120.51 120.25 1s1u n ALA 267 Ca -0.04 0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.54 1s1u n ALA 267 Cb 0.19 -0.78 0.42 0.00 0.00 0.00 0.00 19.45 19.28 1s1u n ALA 267 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1s1u h SER 268 N 0.00 0.00 1.25 0.00 4.64 -0.00 0.15 113.55 119.59 1s1u h SER 268 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s1u h SER 268 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1s1u h SER 268 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1s1u n GLN 269 N -2.62 0.22 -0.10 4.77 10.64 -0.03 -2.57 117.38 127.70 1s1u n GLN 269 Ca 0.04 0.24 -0.18 0.00 -1.83 0.00 0.00 57.00 55.26 1s1u n GLN 269 Cb 0.39 -1.78 -0.06 0.00 -0.86 0.00 0.00 30.24 27.93 1s1u n GLN 269 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.06 174.34 1s1u n ILE 270 N -2.16 1.35 -3.49 -0.39 5.41 -0.92 -4.79 119.36 114.37 1s1u n ILE 270 Ca 0.05 -0.11 -0.43 0.00 1.00 0.00 0.00 62.75 63.26 1s1u n ILE 270 Cb 0.37 -1.98 -0.06 0.00 -0.71 0.00 0.00 39.64 37.26 1s1u n ILE 270 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1s1u s TYR 271 N -2.56 3.52 -0.34 1.39 2.02 -0.00 -4.93 117.35 116.44 1s1u s TYR 271 Ca -0.29 -2.05 0.23 0.00 -0.37 0.00 0.00 57.07 54.59 1s1u s TYR 271 Cb 0.09 -3.58 1.08 0.00 -0.40 0.00 0.00 41.96 39.15 1s1u s TYR 271 CO 0.39 -0.96 1.70 -0.35 -1.57 0.00 0.00 175.55 174.76 1s1u n PRO 272 N 4.28 0.18 0.06 -1.71 -0.04 -1.06 -2.57 135.00 134.14 1s1u n PRO 272 Ca 0.03 0.52 0.10 0.00 -0.04 0.00 0.00 63.50 64.11 1s1u n PRO 272 Cb 0.42 -1.92 0.42 0.00 -0.04 0.00 0.00 33.50 32.38 1s1u n PRO 272 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s1u n GLY 273 N -0.56 -1.23 3.71 0.55 0.00 -1.26 -4.74 105.19 101.66 1s1u n GLY 273 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1s1u n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s1u s ILE 274 N -3.14 3.28 0.03 -0.61 1.01 -1.06 -4.96 121.20 115.76 1s1u s ILE 274 Ca 0.07 0.86 0.07 0.00 0.00 0.00 0.00 60.65 61.64 1s1u s ILE 274 Cb 0.11 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.99 1s1u s ILE 274 CO 0.37 0.04 -0.17 -0.54 0.00 0.00 0.00 174.94 174.64 1s1u s LYS 275 N 1.58 2.12 -0.00 2.79 1.02 -1.26 -4.94 119.74 121.05 1s1u s LYS 275 Ca 0.66 -0.95 0.02 0.00 0.02 0.00 0.00 55.97 55.72 1s1u s LYS 275 Cb -0.37 -2.22 -0.02 0.00 -0.52 0.00 0.00 37.83 34.70 1s1u s LYS 275 CO 0.30 0.55 0.05 0.28 -0.92 0.00 0.00 175.35 175.61 1s1u n VAL 276 N 1.60 0.00 0.00 3.17 0.31 -1.26 -4.87 118.33 117.28 1s1u n VAL 276 Ca -0.16 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1s1u n VAL 276 Cb 0.52 0.64 0.00 0.00 -0.91 0.00 0.00 33.84 34.09 1s1u n VAL 276 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1s1u n ARG 277 N -1.39 0.00 -0.36 5.55 0.63 -1.26 0.30 116.66 120.13 1s1u n ARG 277 Ca -0.00 0.21 0.04 0.00 -0.92 0.00 0.00 57.85 57.18 1s1u n ARG 277 Cb 0.04 -0.32 0.20 0.00 0.45 0.00 0.00 32.46 32.84 1s1u n ARG 277 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1s1u h GLN 278 N 0.00 1.07 0.08 -0.14 1.08 -1.91 -2.29 115.11 113.00 1s1u h GLN 278 Ca 0.00 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1s1u h GLN 278 Cb 0.00 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.19 1s1u h GLN 278 CO 0.00 0.71 -0.04 -0.07 -0.95 0.00 0.00 178.83 178.48 1s1u h LEU 279 N 1.10 -0.09 -1.97 1.46 3.38 -0.49 -2.28 115.31 116.42 1s1u h LEU 279 Ca 0.46 -0.09 0.17 0.00 0.09 0.00 0.00 57.88 58.51 1s1u h LEU 279 Cb 0.29 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1s1u h LEU 279 CO -0.21 0.03 0.51 0.00 0.09 0.00 0.00 178.44 178.86 1s1u h LYS 281 N 0.00 0.00 0.00 0.00 1.57 -1.05 -1.85 116.57 115.24 1s1u h LYS 281 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1s1u h LYS 281 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1s1u h LYS 281 CO -0.00 0.59 0.00 1.28 -0.57 0.00 0.00 179.45 180.75 1s1u n LEU 282 N -3.61 0.00 -1.21 2.94 4.77 0.45 -2.46 117.00 117.88 1s1u n LEU 282 Ca -0.00 0.49 0.11 0.00 -0.03 0.00 0.00 56.01 56.57 1s1u n LEU 282 Cb 0.64 -0.49 0.26 0.00 -2.33 0.00 0.00 43.42 41.50 1s1u n LEU 282 CO 0.41 -0.24 0.73 0.18 -1.33 0.00 0.00 177.39 177.14 1s1u n LEU 283 N -1.49 3.64 -4.77 2.23 4.32 -0.70 -4.97 117.00 115.26 1s1u n LEU 283 Ca 0.04 -1.74 -0.35 0.00 -0.02 0.00 0.00 56.01 53.94 1s1u n LEU 283 Cb 0.17 -0.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.62 1s1u n LEU 283 CO 0.14 0.85 0.80 -0.13 -1.22 0.00 0.00 177.39 177.82 1s1u s ARG 284 N -1.24 3.40 0.00 3.23 0.52 -1.03 -4.79 118.95 119.04 1s1u s ARG 284 Ca 0.42 1.66 0.00 0.00 -0.52 0.00 0.00 55.73 57.29 1s1u s ARG 284 Cb 0.23 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.63 1s1u s ARG 284 CO 0.31 -0.82 0.00 0.41 0.02 0.00 0.00 175.30 175.22 1s1u n GLY 285 N 0.24 -0.56 2.76 -3.53 0.00 -1.26 -4.69 105.19 98.14 1s1u n GLY 285 Ca 0.11 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 1s1u n GLY 285 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s1u n THR 286 N 0.11 4.79 -1.56 2.61 -2.24 -1.26 -4.99 114.28 111.74 1s1u n THR 286 Ca 0.00 -4.61 -0.30 0.00 -2.27 0.00 0.00 64.05 56.87 1s1u n THR 286 Cb 0.00 -2.21 0.09 0.00 -2.10 0.00 0.00 70.33 66.10 1s1u n THR 286 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1s1u s LYS 287 N -0.60 2.19 0.34 -0.78 1.02 -1.26 -5.01 119.74 115.64 1s1u s LYS 287 Ca 0.43 0.67 -0.28 0.00 0.02 0.00 0.00 55.97 56.81 1s1u s LYS 287 Cb 0.12 -1.93 -0.09 0.00 -0.52 0.00 0.00 37.83 35.41 1s1u s LYS 287 CO -0.02 -1.55 1.19 0.00 -0.92 0.00 0.00 175.35 174.05 1s1u s ALA 288 N -3.15 3.35 0.26 5.17 0.00 -1.26 -4.93 121.76 121.20 1s1u s ALA 288 Ca 0.60 1.04 -0.02 0.00 0.00 0.00 0.00 51.96 53.59 1s1u s ALA 288 Cb -0.14 -3.39 0.47 0.00 0.00 0.00 0.00 23.12 20.06 1s1u s ALA 288 CO 0.54 -0.44 1.81 1.25 0.00 0.00 0.00 175.76 178.92 1s1u h LEU 289 N 3.28 0.75 -0.21 0.00 5.85 -1.97 -2.01 115.31 120.99 1s1u h LEU 289 Ca -0.48 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1s1u h LEU 289 Cb 1.22 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1s1u h LEU 289 CO 0.65 0.40 -0.12 0.35 -0.34 0.00 0.00 178.44 179.38 1s1u n THR 290 N -4.72 0.00 -1.74 1.05 -2.24 -1.26 -2.13 114.28 103.24 1s1u n THR 290 Ca 0.16 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.46 1s1u n THR 290 Cb 0.33 -0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 1s1u n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1s1u s GLU 291 N -2.51 4.03 0.33 -0.78 2.12 -0.76 -4.72 118.70 116.41 1s1u s GLU 291 Ca 0.28 2.45 -0.28 0.00 0.36 0.00 0.00 54.97 57.77 1s1u s GLU 291 Cb 0.20 -4.15 -0.10 0.00 0.26 0.00 0.00 34.13 30.34 1s1u s GLU 291 CO 0.48 -1.07 1.23 0.08 -0.54 0.00 0.00 175.26 175.44 1s1u s VAL 292 N 4.81 3.00 -0.26 3.70 1.01 -1.26 -1.98 120.40 129.41 1s1u s VAL 292 Ca 0.87 0.99 0.03 0.00 0.00 0.00 0.00 61.98 63.86 1s1u s VAL 292 Cb -0.39 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.43 1s1u s VAL 292 CO 0.38 0.22 -0.09 -0.63 0.00 0.00 0.00 175.10 174.98 1s1u s ILE 293 N -1.18 2.10 0.37 2.22 -1.09 0.33 -4.90 121.20 119.04 1s1u s ILE 293 Ca 0.49 -1.64 -0.26 0.00 -2.23 0.00 0.00 60.65 57.00 1s1u s ILE 293 Cb -0.36 -2.25 -0.09 0.00 -1.58 0.00 0.00 42.46 38.18 1s1u s ILE 293 CO 0.47 -0.08 1.15 -2.84 -1.23 0.00 0.00 174.94 172.41 1s1u s PRO 294 N 1.12 4.19 0.27 2.79 0.02 -1.26 -4.44 135.00 137.69 1s1u s PRO 294 Ca -0.07 1.81 -0.15 0.00 0.02 0.00 0.00 61.00 62.61 1s1u s PRO 294 Cb -0.20 -2.77 -0.08 0.00 0.02 0.00 0.00 34.50 31.47 1s1u s PRO 294 CO -0.05 -0.20 0.69 -0.51 -0.33 0.00 0.00 177.00 176.60 1s1u s LEU 295 N -2.29 4.17 0.00 -5.54 1.02 -1.26 -5.09 118.68 109.69 1s1u s LEU 295 Ca 0.54 1.25 -0.17 0.00 0.02 0.00 0.00 54.13 55.78 1s1u s LEU 295 Cb -0.30 -3.83 0.22 0.00 0.02 0.00 0.00 46.19 42.31 1s1u s LEU 295 CO 0.38 -0.10 1.31 0.35 0.02 0.00 0.00 176.35 178.31 1s1u n THR 296 N 0.05 0.00 -0.04 5.49 -2.24 -1.26 -4.87 114.28 111.42 1s1u n THR 296 Ca 0.01 -0.95 -0.16 0.00 -2.27 0.00 0.00 64.05 60.68 1s1u n THR 296 Cb 0.52 -1.51 -0.08 0.00 -2.10 0.00 0.00 70.33 67.17 1s1u n THR 296 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1s1u h GLU 297 N 0.00 0.56 -0.65 -0.78 3.07 -1.99 -2.18 114.58 112.61 1s1u h GLU 297 Ca -0.42 -0.43 -0.08 0.00 -0.50 0.00 0.00 59.36 57.92 1s1u h GLU 297 Cb 1.17 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 29.14 1s1u h GLU 297 CO 0.30 1.06 0.11 0.93 -1.40 0.00 0.00 179.01 180.01 1s1u h GLU 298 N 0.19 1.08 0.78 2.33 3.07 -1.99 -2.56 114.58 117.47 1s1u h GLU 298 Ca -0.03 -0.29 -0.04 0.00 -0.50 0.00 0.00 59.36 58.51 1s1u h GLU 298 Cb 1.13 -0.13 0.01 0.00 -0.84 0.00 0.00 28.75 28.92 1s1u h GLU 298 CO 0.10 0.99 -0.37 0.00 -1.40 0.00 0.00 179.01 178.33 1s1u h ALA 299 N 1.04 -1.05 -0.88 3.43 0.00 -1.86 -1.21 119.26 118.74 1s1u h ALA 299 Ca 0.20 -0.23 0.17 0.00 0.00 0.00 0.00 54.91 55.05 1s1u h ALA 299 Cb 0.43 0.40 -0.17 0.00 0.00 0.00 0.00 17.79 18.46 1s1u h ALA 299 CO 0.01 -1.08 -0.23 0.93 0.00 0.00 0.00 179.25 178.89 1s1u h GLU 300 N -1.07 -0.00 -0.41 0.00 4.39 -1.24 0.16 114.58 116.40 1s1u h GLU 300 Ca -0.11 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.48 1s1u h GLU 300 Cb 0.81 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 1s1u h GLU 300 CO 0.18 -0.00 -0.21 -0.07 -1.16 0.00 0.00 179.01 177.74 1s1u h LEU 301 N -0.00 0.82 -1.06 1.33 4.07 -1.38 -2.26 115.31 116.84 1s1u h LEU 301 Ca 0.41 -0.29 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 1s1u h LEU 301 Cb 0.64 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 42.11 1s1u h LEU 301 CO -0.91 1.01 0.51 -0.08 -1.08 0.00 0.00 178.44 177.90 1s1u h GLU 302 N 0.71 1.16 0.54 1.13 4.81 0.53 0.12 114.58 123.57 1s1u h GLU 302 Ca 0.10 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1s1u h GLU 302 Cb 0.73 -0.24 0.01 0.00 0.63 0.00 0.00 28.75 29.87 1s1u h GLU 302 CO 0.06 0.81 -0.26 1.25 -0.73 0.00 0.00 179.01 180.14 1s1u h LEU 303 N 1.18 -0.61 -0.59 1.64 6.46 -1.03 -1.62 115.31 120.74 1s1u h LEU 303 Ca 0.31 -0.05 0.10 0.00 -0.12 0.00 0.00 57.88 58.12 1s1u h LEU 303 Cb -0.05 0.16 -0.11 0.00 -0.73 0.00 0.00 40.66 39.93 1s1u h LEU 303 CO -0.06 -0.27 -0.35 0.00 -0.62 0.00 0.00 178.44 177.14 1s1u h ALA 304 N -0.66 -0.08 -0.68 1.25 0.00 -1.11 1.57 119.26 119.54 1s1u h ALA 304 Ca -0.07 0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1s1u h ALA 304 Cb 0.63 0.81 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 1s1u h ALA 304 CO 0.12 -0.70 0.36 0.93 0.00 0.00 0.00 179.25 179.97 1s1u h GLU 305 N -0.17 0.63 0.15 0.00 5.08 -0.74 0.32 114.58 119.85 1s1u h GLU 305 Ca 0.23 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1s1u h GLU 305 Cb 0.55 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1s1u h GLU 305 CO -0.68 0.42 -0.07 -0.91 -1.00 0.00 0.00 179.01 176.77 1s1u h ASN 306 N 0.65 -0.17 -1.01 1.42 2.35 0.17 -1.27 115.58 117.72 1s1u h ASN 306 Ca 0.32 -0.20 0.26 0.00 -0.55 0.00 0.00 56.30 56.13 1s1u h ASN 306 Cb 0.26 0.04 -0.13 0.00 0.05 0.00 0.00 38.32 38.54 1s1u h ASN 306 CO -0.22 0.11 0.59 -0.09 -1.65 0.00 0.00 177.43 176.18 1s1u h ARG 307 N -0.45 0.52 -0.51 0.81 2.43 0.29 0.16 114.38 117.62 1s1u h ARG 307 Ca -0.02 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 1s1u h ARG 307 Cb 0.36 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1s1u h ARG 307 CO 0.03 0.34 -0.07 0.93 -1.51 0.00 0.00 179.97 179.70 1s1u h GLU 308 N 0.53 0.95 -0.83 0.20 4.39 0.05 -3.04 114.58 116.83 1s1u h GLU 308 Ca 0.66 -0.34 -0.03 0.00 0.34 0.00 0.00 59.36 59.99 1s1u h GLU 308 Cb 1.31 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.85 1s1u h GLU 308 CO -0.49 1.00 0.39 0.82 -1.16 0.00 0.00 179.01 179.57 1s1u h ILE 309 N 0.82 1.26 0.00 3.13 2.04 0.46 -2.75 117.51 122.47 1s1u h ILE 309 Ca 0.14 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1s1u h ILE 309 Cb 0.61 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1s1u h ILE 309 CO 0.04 0.32 0.00 -0.07 0.00 0.00 0.00 178.15 178.44 1s1u h LEU 310 N 1.19 0.00 -0.54 1.44 3.38 -1.30 -3.29 115.31 116.19 1s1u h LEU 310 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1s1u h LEU 310 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1s1u h LEU 310 CO -0.03 0.00 0.21 0.29 0.09 0.00 0.00 178.44 179.00 1s1u n LYS 311 N -2.70 0.05 -3.79 1.13 5.02 -1.04 -4.23 118.16 112.62 1s1u n LYS 311 Ca 0.02 0.47 -0.11 0.00 -2.02 0.00 0.00 58.31 56.68 1s1u n LYS 311 Cb 0.34 -1.89 -0.07 0.00 -0.02 0.00 0.00 35.03 33.39 1s1u n LYS 311 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1s1u s GLU 312 N -3.05 0.80 0.66 1.97 2.02 -1.24 -4.97 118.70 114.88 1s1u s GLU 312 Ca -0.01 -0.61 -0.17 0.00 0.02 0.00 0.00 54.97 54.20 1s1u s GLU 312 Cb 0.02 0.34 -0.02 0.00 0.10 0.00 0.00 34.13 34.57 1s1u s GLU 312 CO 0.07 -0.25 1.01 -2.30 0.02 0.00 0.00 175.26 173.81 1s1u n PRO 313 N 0.47 0.78 -2.15 0.39 -0.02 -1.26 -4.90 135.00 128.30 1s1u n PRO 313 Ca -0.18 0.31 -0.40 0.00 -2.02 0.00 0.00 63.50 61.21 1s1u n PRO 313 Cb 0.60 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.82 1s1u n PRO 313 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1s1u s VAL 314 N -1.60 2.80 0.94 -1.45 0.11 -1.26 -5.00 120.40 114.93 1s1u s VAL 314 Ca 0.76 0.79 -0.12 0.00 -2.93 0.00 0.00 61.98 60.49 1s1u s VAL 314 Cb -0.38 -3.50 0.15 0.00 -1.53 0.00 0.00 36.38 31.12 1s1u s VAL 314 CO 0.47 0.18 1.09 -1.00 -3.33 0.00 0.00 175.10 172.51 1s1u s HIS 315 N -1.16 2.11 0.00 1.54 3.76 -1.26 -4.15 115.29 116.13 1s1u s HIS 315 Ca 0.49 1.28 0.00 0.00 -0.15 0.00 0.00 55.06 56.68 1s1u s HIS 315 Cb -0.39 -3.18 0.00 0.00 1.11 0.00 0.00 32.58 30.13 1s1u s HIS 315 CO 0.51 -2.66 0.00 0.41 -0.85 0.00 0.00 174.74 172.15 1s1u n GLY 316 N -0.76 1.98 3.67 -2.22 0.00 -1.26 -5.01 105.19 101.59 1s1u n GLY 316 Ca 0.07 -0.38 -0.45 0.00 0.00 0.00 0.00 46.02 45.26 1s1u n GLY 316 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1s1u n VAL 317 N 0.00 0.66 -4.24 1.61 0.24 -1.26 -4.99 118.33 110.35 1s1u n VAL 317 Ca 0.00 -0.12 -0.19 0.00 -2.04 0.00 0.00 64.34 61.99 1s1u n VAL 317 Cb 0.00 -2.12 -0.11 0.00 -1.47 0.00 0.00 33.84 30.14 1s1u n VAL 317 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 1s1u s TYR 318 N 4.13 1.44 -0.21 6.34 1.13 -1.26 -5.03 117.35 123.89 1s1u s TYR 318 Ca 0.90 -0.52 -0.29 0.00 -1.41 0.00 0.00 57.07 55.75 1s1u s TYR 318 Cb -0.54 -0.76 0.00 0.00 -1.10 0.00 0.00 41.96 39.56 1s1u s TYR 318 CO 0.45 0.15 1.08 -0.47 -2.51 0.00 0.00 175.55 174.25 1s1u s TYR 319 N -1.87 3.27 -0.41 -3.49 6.04 -1.26 -5.00 117.35 114.63 1s1u s TYR 319 Ca 0.07 1.40 -0.15 0.00 0.04 0.00 0.00 57.07 58.43 1s1u s TYR 319 Cb -0.06 -3.31 0.02 0.00 -1.04 0.00 0.00 41.96 37.57 1s1u s TYR 319 CO 0.03 -0.68 0.30 0.34 -1.54 0.00 0.00 175.55 174.00 1s1u s ASP 320 N 1.33 6.08 0.56 4.32 2.15 -1.26 -4.95 116.67 124.89 1s1u s ASP 320 Ca 0.46 -0.94 0.25 0.00 0.43 0.00 0.00 52.55 52.75 1s1u s ASP 320 Cb -0.16 -2.15 1.55 0.00 -0.30 0.00 0.00 42.92 41.86 1s1u s ASP 320 CO 0.08 -0.46 2.13 -0.65 -0.17 0.00 0.00 175.17 176.10 1s1u h PRO 321 N 8.62 0.00 -0.04 4.34 0.11 -2.01 -2.01 132.00 141.00 1s1u h PRO 321 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1s1u h PRO 321 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1s1u h PRO 321 CO 0.73 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.39 1s1u n SER 322 N -4.09 0.35 -4.42 -2.05 3.41 -1.26 -4.85 113.62 100.71 1s1u n SER 322 Ca 0.01 -1.54 -0.24 0.00 -0.26 0.00 0.00 58.87 56.84 1s1u n SER 322 Cb 0.26 -0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.08 1s1u n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1s1u s LYS 323 N -1.95 1.53 0.23 4.33 -0.14 -0.76 -5.11 119.74 117.88 1s1u s LYS 323 Ca 0.26 -1.63 -0.30 0.00 -1.36 0.00 0.00 55.97 52.94 1s1u s LYS 323 Cb 0.12 -1.63 -0.09 0.00 -1.68 0.00 0.00 37.83 34.55 1s1u s LYS 323 CO 0.20 0.32 1.27 -0.51 -0.76 0.00 0.00 175.35 175.87 1s1u s ASP 324 N -3.16 6.95 -0.43 2.83 -0.00 -1.26 -4.95 116.67 116.64 1s1u s ASP 324 Ca 0.25 2.42 -0.22 0.00 -0.00 0.00 0.00 52.55 54.99 1s1u s ASP 324 Cb -0.05 -2.62 0.02 0.00 -0.00 0.00 0.00 42.92 40.27 1s1u s ASP 324 CO 0.11 -0.46 0.74 -0.22 -0.00 0.00 0.00 175.17 175.34 1s1u s LEU 325 N -0.63 4.31 0.05 1.23 2.96 -1.26 -4.53 118.68 120.82 1s1u s LEU 325 Ca 0.53 -0.12 -0.03 0.00 -0.22 0.00 0.00 54.13 54.29 1s1u s LEU 325 Cb -0.36 -2.89 -0.05 0.00 0.50 0.00 0.00 46.19 43.39 1s1u s LEU 325 CO 0.41 -0.84 0.26 -0.63 -1.32 0.00 0.00 176.35 174.23 1s1u s ILE 326 N 3.11 5.32 -0.10 6.68 1.01 0.68 0.52 121.20 138.42 1s1u s ILE 326 Ca 0.28 -0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.81 1s1u s ILE 326 Cb -0.13 -3.59 0.04 0.00 0.01 0.00 0.00 42.46 38.79 1s1u s ILE 326 CO 0.21 0.22 0.06 0.00 0.00 0.00 0.00 174.94 175.43 1s1u s ALA 327 N -1.44 0.41 -0.07 9.38 0.00 -0.72 -1.57 121.76 127.74 1s1u s ALA 327 Ca 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 51.96 52.19 1s1u s ALA 327 Cb -0.13 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 1s1u s ALA 327 CO 0.22 -0.78 -0.02 -1.21 0.00 0.00 0.00 175.76 173.97 1s1u s GLU 328 N 2.11 2.87 0.11 0.00 2.02 -1.01 -0.53 118.70 124.28 1s1u s GLU 328 Ca 0.03 -0.48 0.10 0.00 0.02 0.00 0.00 54.97 54.64 1s1u s GLU 328 Cb -0.14 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.35 1s1u s GLU 328 CO -0.06 0.68 -0.24 0.42 0.02 0.00 0.00 175.26 176.08 1s1u s ILE 329 N -0.88 2.02 -0.02 -1.63 1.01 -1.18 -2.14 121.20 118.39 1s1u s ILE 329 Ca 0.14 -1.63 0.04 0.00 0.00 0.00 0.00 60.65 59.20 1s1u s ILE 329 Cb -0.11 -1.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.55 1s1u s ILE 329 CO 0.03 0.06 -0.14 -1.10 0.00 0.00 0.00 174.94 173.78 1s1u s GLN 330 N -1.91 1.20 -0.19 2.79 1.11 0.13 -4.58 119.66 118.20 1s1u s GLN 330 Ca 0.11 -0.49 -0.23 0.00 0.01 0.00 0.00 55.36 54.75 1s1u s GLN 330 Cb -0.10 -1.14 -0.02 0.00 -1.01 0.00 0.00 33.01 30.74 1s1u s GLN 330 CO 0.05 0.28 0.73 0.21 0.01 0.00 0.00 175.29 176.57 1s1u s LYS 331 N -0.23 4.24 -0.23 2.91 2.20 -1.26 -1.39 119.74 125.99 1s1u s LYS 331 Ca 0.03 0.81 -0.17 0.00 -0.36 0.00 0.00 55.97 56.28 1s1u s LYS 331 Cb -0.07 -3.59 -0.14 0.00 -1.51 0.00 0.00 37.83 32.53 1s1u s LYS 331 CO -0.00 -0.31 -0.07 1.04 -0.36 0.00 0.00 175.35 175.64 1s1u n GLN 332 N 5.25 0.56 0.00 4.03 1.13 0.32 -4.96 117.38 123.71 1s1u n GLN 332 Ca 0.02 0.43 0.00 0.00 -1.94 0.00 0.00 57.00 55.51 1s1u n GLN 332 Cb 0.49 -1.63 0.00 0.00 0.11 0.00 0.00 30.24 29.21 1s1u n GLN 332 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1s1u n GLY 333 N 1.39 3.01 2.39 1.08 0.00 -0.93 -4.95 105.19 107.17 1s1u n GLY 333 Ca -0.37 -1.90 -0.17 0.00 0.00 0.00 0.00 46.02 43.58 1s1u n GLY 333 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s1u n GLN 334 N -1.56 -1.79 -1.96 1.61 1.13 -1.26 -0.42 117.38 113.13 1s1u n GLN 334 Ca 0.00 0.87 -0.04 0.00 -1.94 0.00 0.00 57.00 55.89 1s1u n GLN 334 Cb 0.00 -5.42 -0.00 0.00 0.11 0.00 0.00 30.24 24.93 1s1u n GLN 334 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1s1u n GLY 335 N -0.76 0.26 3.26 1.08 0.00 -1.26 -4.87 105.19 102.90 1s1u n GLY 335 Ca -0.19 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 1s1u n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s1u s GLN 336 N -3.97 2.52 0.09 1.61 -0.21 0.44 -1.96 119.66 118.17 1s1u s GLN 336 Ca 0.00 -0.89 0.04 0.00 0.02 0.00 0.00 55.36 54.53 1s1u s GLN 336 Cb 0.00 -2.13 -0.03 0.00 1.00 0.00 0.00 33.01 31.84 1s1u s GLN 336 CO 0.00 0.37 -0.12 -1.58 -2.12 0.00 0.00 175.29 171.85 1s1u s TRP 337 N -0.15 1.13 -0.05 0.91 0.52 0.19 -0.52 118.94 120.96 1s1u s TRP 337 Ca -0.04 -0.57 0.04 0.00 0.02 0.00 0.00 56.10 55.55 1s1u s TRP 337 Cb -0.14 -0.62 0.00 0.00 -1.15 0.00 0.00 33.47 31.56 1s1u s TRP 337 CO 0.04 0.04 -0.16 0.95 0.02 0.00 0.00 176.95 177.83 1s1u s THR 338 N -2.00 1.39 0.20 2.01 -4.23 -0.49 -0.65 115.64 111.87 1s1u s THR 338 Ca 0.03 -0.67 0.05 0.00 -1.18 0.00 0.00 61.69 59.92 1s1u s THR 338 Cb -0.06 -1.21 -0.05 0.00 1.34 0.00 0.00 72.50 72.52 1s1u s THR 338 CO 0.01 0.40 -0.08 -0.72 -0.54 0.00 0.00 174.62 173.70 1s1u s TYR 339 N 0.25 1.53 -0.09 3.99 1.13 -1.22 0.19 117.35 123.12 1s1u s TYR 339 Ca -0.08 -0.76 -0.06 0.00 -1.41 0.00 0.00 57.07 54.75 1s1u s TYR 339 Cb -0.13 -0.81 0.03 0.00 -1.10 0.00 0.00 41.96 39.95 1s1u s TYR 339 CO 0.03 0.13 0.23 -0.65 -2.51 0.00 0.00 175.55 172.78 1s1u s GLN 340 N -3.76 0.22 -0.21 -3.49 1.11 -0.91 -1.57 119.66 111.05 1s1u s GLN 340 Ca 0.23 0.42 -0.04 0.00 0.01 0.00 0.00 55.36 55.98 1s1u s GLN 340 Cb 0.03 -0.02 -0.01 0.00 -1.01 0.00 0.00 33.01 32.00 1s1u s GLN 340 CO 0.06 -0.10 -0.03 0.42 0.01 0.00 0.00 175.29 175.65 1s1u s ILE 341 N 0.75 3.59 0.36 1.08 1.01 0.31 -2.40 121.20 125.90 1s1u s ILE 341 Ca -0.05 -0.43 -0.02 0.00 0.00 0.00 0.00 60.65 60.15 1s1u s ILE 341 Cb -0.07 -2.63 0.01 0.00 0.01 0.00 0.00 42.46 39.79 1s1u s ILE 341 CO -0.04 0.42 0.50 0.00 0.00 0.00 0.00 174.94 175.82 1s1u n TYR 342 N 4.60 -1.49 0.00 3.97 0.18 -0.61 0.17 117.16 123.97 1s1u n TYR 342 Ca -0.18 -2.35 0.00 0.00 1.88 0.00 0.00 57.90 57.25 1s1u n TYR 342 Cb 0.51 0.57 0.00 0.00 -0.38 0.00 0.00 39.34 40.04 1s1u n TYR 342 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 1s1u n GLN 343 N -0.58 1.72 -4.57 -3.48 6.02 -1.25 -0.23 117.38 115.02 1s1u n GLN 343 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.75 1s1u n GLN 343 Cb 0.59 -0.78 -0.16 0.00 1.02 0.00 0.00 30.24 30.90 1s1u n GLN 343 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1s1u s GLU 344 N -1.57 1.62 0.11 -1.09 2.12 -1.26 -4.92 118.70 113.72 1s1u s GLU 344 Ca 0.00 -0.40 -0.29 0.00 0.36 0.00 0.00 54.97 54.64 1s1u s GLU 344 Cb 0.00 -1.35 -0.16 0.00 0.26 0.00 0.00 34.13 32.87 1s1u s GLU 344 CO 0.00 0.04 0.64 -2.30 -0.54 0.00 0.00 175.26 173.10 1s1u n PRO 345 N 3.77 0.00 0.00 4.30 -0.02 -1.26 0.35 135.00 142.14 1s1u n PRO 345 Ca -0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 1s1u n PRO 345 Cb 0.52 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.94 1s1u n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1s1u n PHE 346 N 0.49 0.00 -2.90 6.00 0.99 -1.26 -4.82 117.46 115.96 1s1u n PHE 346 Ca 0.17 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.18 1s1u n PHE 346 Cb 0.17 -0.39 0.01 0.00 -1.00 0.00 0.00 39.48 38.26 1s1u n PHE 346 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1s1u n LYS 347 N -1.70 3.93 -2.49 -1.08 5.02 0.16 -4.99 118.16 117.01 1s1u n LYS 347 Ca 0.00 -4.19 -0.41 0.00 -2.02 0.00 0.00 58.31 51.69 1s1u n LYS 347 Cb 0.00 -2.69 -0.04 0.00 -0.02 0.00 0.00 35.03 32.28 1s1u n LYS 347 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1s1u s ASN 348 N 0.12 7.23 0.07 4.39 -0.87 -1.26 -3.80 114.94 120.81 1s1u s ASN 348 Ca 0.35 2.11 0.23 0.00 -1.57 0.00 0.00 52.86 53.98 1s1u s ASN 348 Cb 0.02 -2.60 -0.04 0.00 -0.02 0.00 0.00 41.25 38.60 1s1u s ASN 348 CO 0.03 -0.25 0.93 0.18 -2.57 0.00 0.00 177.10 175.41 1s1u n LEU 349 N 2.43 0.56 -3.62 0.60 4.77 0.45 -4.95 117.00 117.24 1s1u n LEU 349 Ca 0.03 0.06 -0.05 0.00 -0.03 0.00 0.00 56.01 56.03 1s1u n LEU 349 Cb 0.46 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.44 1s1u n LEU 349 CO 0.54 -0.02 1.04 -0.75 -1.33 0.00 0.00 177.39 176.87 1s1u s LYS 350 N -3.30 0.22 0.07 3.23 2.20 -0.64 -4.97 119.74 116.56 1s1u s LYS 350 Ca 0.01 0.06 0.01 0.00 -0.36 0.00 0.00 55.97 55.69 1s1u s LYS 350 Cb 0.13 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.52 1s1u s LYS 350 CO 0.82 -0.07 -0.06 0.95 -0.36 0.00 0.00 175.35 176.63 1s1u s THR 351 N -0.99 0.54 0.00 3.43 -4.23 -1.26 0.12 115.64 113.25 1s1u s THR 351 Ca 0.06 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 1s1u s THR 351 Cb -0.01 -1.38 0.00 0.00 1.34 0.00 0.00 72.50 72.45 1s1u s THR 351 CO -0.05 -0.79 0.00 0.61 -0.54 0.00 0.00 174.62 173.85 1s1u n GLY 352 N 0.35 2.71 3.14 3.99 0.00 -0.61 -3.04 105.19 111.72 1s1u n GLY 352 Ca -0.15 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 1s1u n GLY 352 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s1u s LYS 353 N -0.47 0.46 -0.03 1.61 2.47 -1.26 -3.45 119.74 119.07 1s1u s LYS 353 Ca 0.00 -0.11 -0.01 0.00 -1.56 0.00 0.00 55.97 54.29 1s1u s LYS 353 Cb 0.00 0.20 0.03 0.00 -1.46 0.00 0.00 37.83 36.60 1s1u s LYS 353 CO 0.00 -0.10 0.05 -0.47 0.16 0.00 0.00 175.35 174.98 1s1u s TYR 354 N -0.87 0.01 -0.04 4.03 5.04 0.18 -4.99 117.35 120.71 1s1u s TYR 354 Ca -0.10 0.19 0.01 0.00 -2.44 0.00 0.00 57.07 54.73 1s1u s TYR 354 Cb -0.05 -0.26 0.02 0.00 0.35 0.00 0.00 41.96 42.02 1s1u s TYR 354 CO 0.02 -0.11 -0.03 0.00 -1.34 0.00 0.00 175.55 174.08 1s1u s ALA 355 N 1.25 0.56 0.00 3.97 0.00 -1.26 0.53 121.76 126.82 1s1u s ALA 355 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 51.89 1s1u s ALA 355 Cb -0.13 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.63 1s1u s ALA 355 CO -0.03 -0.01 0.00 2.89 0.00 0.00 0.00 175.76 178.61 1s1u n ARG 356 N 3.97 0.00 0.00 0.00 1.85 -0.83 -5.03 116.66 116.62 1s1u n ARG 356 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.60 1s1u n ARG 356 Cb 0.51 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.92 1s1u n ARG 356 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1s1u n THR 362 N 0.00 0.00 -3.82 8.89 -2.24 -1.26 -5.08 114.28 110.77 1s1u n THR 362 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1s1u n THR 362 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 1s1u n THR 362 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1s1u s ASN 363 N -3.03 0.03 0.03 3.42 2.20 -1.26 -5.06 114.94 111.26 1s1u s ASN 363 Ca 0.00 -0.61 -0.05 0.00 -0.94 0.00 0.00 52.86 51.26 1s1u s ASN 363 Cb 0.00 0.39 -0.01 0.00 -2.00 0.00 0.00 41.25 39.62 1s1u s ASN 363 CO 0.00 -0.78 1.04 0.47 -2.94 0.00 0.00 177.10 174.88 1s1u n ASP 364 N -0.12 -0.17 -0.19 3.54 10.43 -1.26 -1.41 116.55 127.37 1s1u n ASP 364 Ca -0.14 1.08 -0.11 0.00 2.57 0.00 0.00 54.79 58.18 1s1u n ASP 364 Cb 0.63 -0.43 -0.09 0.00 1.84 0.00 0.00 41.12 43.07 1s1u n ASP 364 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 1s1u h VAL 365 N 0.00 0.00 -0.70 2.53 2.07 -1.99 0.75 116.25 118.91 1s1u h VAL 365 Ca 0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.61 1s1u h VAL 365 Cb 0.07 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.74 1s1u h VAL 365 CO -0.15 0.00 -0.55 0.50 0.02 0.00 0.00 177.57 177.39 1s1u h LYS 366 N -0.24 -0.17 -0.48 1.57 3.64 -1.87 0.63 116.57 119.66 1s1u h LYS 366 Ca 0.08 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.57 1s1u h LYS 366 Cb 0.46 0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.22 1s1u h LYS 366 CO -0.60 -0.11 -0.24 1.96 -2.27 0.00 0.00 179.45 178.19 1s1u h GLN 367 N -0.18 -0.13 -0.28 1.90 4.20 0.09 -1.25 115.11 119.46 1s1u h GLN 367 Ca 0.11 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.88 1s1u h GLN 367 Cb 0.47 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.24 1s1u h GLN 367 CO -0.75 -0.09 -0.02 1.25 -0.67 0.00 0.00 178.83 178.55 1s1u h LEU 368 N -0.14 -0.16 -0.03 1.46 6.46 0.56 -0.84 115.31 122.63 1s1u h LEU 368 Ca 0.22 0.07 0.02 0.00 -0.12 0.00 0.00 57.88 58.07 1s1u h LEU 368 Cb 0.48 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.52 1s1u h LEU 368 CO -0.56 -0.04 -0.10 0.71 -0.62 0.00 0.00 178.44 177.82 1s1u h THR 369 N 0.06 0.73 -0.79 1.05 1.35 0.51 -0.08 112.91 115.74 1s1u h THR 369 Ca 0.14 0.00 0.21 0.00 -0.55 0.00 0.00 66.41 66.20 1s1u h THR 369 Cb 0.19 0.73 -0.04 0.00 -1.73 0.00 0.00 68.15 67.29 1s1u h THR 369 CO -0.25 0.00 0.55 -0.33 -0.25 0.00 0.00 175.52 175.25 1s1u h GLU 370 N -0.17 0.13 0.24 4.72 5.08 -0.70 -0.20 114.58 123.69 1s1u h GLU 370 Ca 0.05 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1s1u h GLU 370 Cb 0.23 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1s1u h GLU 370 CO -0.13 0.09 -0.11 0.00 -1.00 0.00 0.00 179.01 177.86 1s1u h ALA 371 N 1.62 -0.32 0.03 3.43 0.00 0.29 -1.55 119.26 122.76 1s1u h ALA 371 Ca 0.39 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1s1u h ALA 371 Cb 1.33 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 1s1u h ALA 371 CO -0.06 -0.46 -0.48 0.28 0.00 0.00 0.00 179.25 178.54 1s1u h VAL 372 N -0.77 0.00 -0.24 0.00 2.07 0.52 0.47 116.25 118.30 1s1u h VAL 372 Ca -0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1s1u h VAL 372 Cb 0.50 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.20 1s1u h VAL 372 CO 0.05 0.00 -0.27 1.56 0.02 0.00 0.00 177.57 178.93 1s1u h GLN 373 N -0.62 -0.27 -0.25 1.57 4.20 -1.20 0.81 115.11 119.34 1s1u h GLN 373 Ca 0.01 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.80 1s1u h GLN 373 Cb 0.65 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.43 1s1u h GLN 373 CO -0.30 -0.18 -0.20 -0.22 -0.67 0.00 0.00 178.83 177.26 1s1u h LYS 374 N -0.28 -0.18 -0.64 1.46 3.64 -0.92 -0.03 116.57 119.61 1s1u h LYS 374 Ca 0.13 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1s1u h LYS 374 Cb 0.49 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 1s1u h LYS 374 CO -0.40 -0.12 0.40 0.82 -2.27 0.00 0.00 179.45 177.88 1s1u h ILE 375 N -0.19 1.10 -0.11 2.00 2.04 0.15 -2.22 117.51 120.27 1s1u h ILE 375 Ca 0.14 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1s1u h ILE 375 Cb 0.40 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1s1u h ILE 375 CO -0.36 0.15 0.07 0.74 0.00 0.00 0.00 178.15 178.74 1s1u h THR 376 N 0.80 1.04 -0.35 -0.27 2.02 0.15 -1.96 112.91 114.34 1s1u h THR 376 Ca 0.25 -0.08 0.08 0.00 0.77 0.00 0.00 66.41 67.43 1s1u h THR 376 Cb -0.01 0.89 -0.08 0.00 -1.74 0.00 0.00 68.15 67.21 1s1u h THR 376 CO -0.09 0.04 -0.25 0.74 0.37 0.00 0.00 175.52 176.33 1s1u h THR 377 N 0.14 0.35 -0.51 3.16 2.02 -0.69 0.72 112.91 118.11 1s1u h THR 377 Ca 0.04 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.32 1s1u h THR 377 Cb -0.00 0.35 -0.09 0.00 -1.74 0.00 0.00 68.15 66.67 1s1u h THR 377 CO -0.01 0.00 -0.03 -0.33 0.37 0.00 0.00 175.52 175.52 1s1u h GLU 378 N -0.20 0.08 -0.88 6.66 5.08 -1.11 0.31 114.58 124.51 1s1u h GLU 378 Ca 0.17 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.60 1s1u h GLU 378 Cb 0.47 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 1s1u h GLU 378 CO -0.47 0.05 0.55 0.77 -1.00 0.00 0.00 179.01 178.91 1s1u h SER 379 N 0.08 0.85 0.77 1.42 0.02 -0.18 0.43 113.55 116.94 1s1u h SER 379 Ca 0.25 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.19 1s1u h SER 379 Cb 0.39 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 62.78 1s1u h SER 379 CO -0.45 0.53 -0.37 0.40 -1.14 0.00 0.00 176.83 175.80 1s1u h ILE 380 N 0.98 0.00 -0.64 3.27 2.04 0.55 0.30 117.51 124.01 1s1u h ILE 380 Ca 0.39 -0.24 0.13 0.00 1.00 0.00 0.00 64.86 66.14 1s1u h ILE 380 Cb 0.21 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.18 1s1u h ILE 380 CO -0.19 0.00 -0.07 0.58 0.00 0.00 0.00 178.15 178.47 1s1u h VAL 381 N -1.27 0.42 0.19 1.67 2.07 0.05 1.84 116.25 121.22 1s1u h VAL 381 Ca -0.11 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1s1u h VAL 381 Cb 0.79 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1s1u h VAL 381 CO 0.17 0.01 -0.09 0.40 0.02 0.00 0.00 177.57 178.08 1s1u h ILE 382 N 0.06 0.31 -0.32 4.57 2.04 -0.14 -3.38 117.51 120.65 1s1u h ILE 382 Ca 0.32 -0.97 -0.08 0.00 1.00 0.00 0.00 64.86 65.13 1s1u h ILE 382 Cb 0.52 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 1s1u h ILE 382 CO -0.60 0.09 0.00 0.79 0.00 0.00 0.00 178.15 178.43 1s1u n TRP 383 N -4.94 1.08 -2.62 1.37 8.01 1.00 -4.95 117.44 116.39 1s1u n TRP 383 Ca -0.05 -1.17 -0.07 0.00 -1.31 0.00 0.00 57.50 54.90 1s1u n TRP 383 Cb 0.17 -0.40 -0.01 0.00 -2.01 0.00 0.00 31.31 29.07 1s1u n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1s1u n GLY 384 N -0.76 -0.49 3.23 6.99 0.00 0.63 -4.87 105.19 109.91 1s1u n GLY 384 Ca 0.27 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.20 1s1u n GLY 384 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s1u s LYS 385 N -5.16 1.02 0.00 1.61 2.20 -1.10 -4.86 119.74 113.46 1s1u s LYS 385 Ca 0.06 -1.34 0.01 0.00 -0.36 0.00 0.00 55.97 54.34 1s1u s LYS 385 Cb -0.03 0.30 -0.04 0.00 -1.51 0.00 0.00 37.83 36.55 1s1u s LYS 385 CO 0.07 -0.33 0.04 0.95 -0.36 0.00 0.00 175.35 175.73 1s1u s THR 386 N -4.02 4.45 0.43 3.43 -4.23 -1.26 -1.81 115.64 112.64 1s1u s THR 386 Ca 0.22 -0.52 -0.07 0.00 -1.18 0.00 0.00 61.69 60.14 1s1u s THR 386 Cb 0.06 -3.02 -0.05 0.00 1.34 0.00 0.00 72.50 70.83 1s1u s THR 386 CO 0.01 0.35 0.75 -2.16 -0.54 0.00 0.00 174.62 173.03 1s1u s PRO 387 N -1.69 3.62 -0.59 3.99 0.05 -1.26 -4.70 135.00 134.42 1s1u s PRO 387 Ca 0.22 0.25 -0.18 0.00 0.05 0.00 0.00 61.00 61.33 1s1u s PRO 387 Cb -0.12 -2.42 0.11 0.00 0.05 0.00 0.00 34.50 32.13 1s1u s PRO 387 CO 0.13 -0.10 0.67 0.21 0.05 0.00 0.00 177.00 177.95 1s1u s LYS 388 N -4.34 3.05 0.84 4.56 2.36 0.18 -4.07 119.74 122.32 1s1u s LYS 388 Ca 0.48 -1.44 -0.11 0.00 -2.55 0.00 0.00 55.97 52.35 1s1u s LYS 388 Cb -0.10 -4.29 0.10 0.00 -1.05 0.00 0.00 37.83 32.48 1s1u s LYS 388 CO 0.39 -1.50 1.09 -0.06 1.55 0.00 0.00 175.35 176.82 1s1u s PHE 389 N 2.40 2.53 -0.22 4.03 0.40 -0.95 -1.76 117.98 124.42 1s1u s PHE 389 Ca 0.10 1.29 -0.03 0.00 -0.60 0.00 0.00 56.93 57.70 1s1u s PHE 389 Cb -0.25 -3.12 0.07 0.00 0.51 0.00 0.00 43.02 40.23 1s1u s PHE 389 CO 0.05 -2.08 0.05 0.15 0.70 0.00 0.00 175.22 174.09 1s1u s LYS 390 N -4.99 0.67 -0.16 0.44 1.02 0.31 -2.30 119.74 114.73 1s1u s LYS 390 Ca 0.62 -0.53 -0.07 0.00 0.02 0.00 0.00 55.97 56.01 1s1u s LYS 390 Cb -0.17 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 35.03 1s1u s LYS 390 CO 0.56 -0.70 0.08 -0.51 -0.92 0.00 0.00 175.35 173.86 1s1u s LEU 391 N 1.82 3.97 -1.59 3.17 1.43 -0.08 -3.07 118.68 124.34 1s1u s LEU 391 Ca 0.01 0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 53.19 1s1u s LEU 391 Cb -0.17 -1.99 -0.06 0.00 0.03 0.00 0.00 46.19 44.00 1s1u s LEU 391 CO -0.12 0.25 2.83 -0.81 0.23 0.00 0.00 176.35 178.73 1s1u n PRO 392 N 3.06 3.58 -3.94 1.29 -0.04 -1.26 -0.35 135.00 137.34 1s1u n PRO 392 Ca -0.17 -2.30 -0.08 0.00 -0.04 0.00 0.00 63.50 60.90 1s1u n PRO 392 Cb 0.53 -2.88 -0.04 0.00 -0.04 0.00 0.00 33.50 31.07 1s1u n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1s1u s ILE 393 N 2.26 0.00 -0.28 0.52 2.07 -1.25 -4.99 121.20 119.53 1s1u s ILE 393 Ca 0.66 -1.25 -0.14 0.00 -1.41 0.00 0.00 60.65 58.51 1s1u s ILE 393 Cb 0.17 -2.11 -0.03 0.00 0.13 0.00 0.00 42.46 40.62 1s1u s ILE 393 CO -0.07 -0.01 0.35 -1.10 -1.91 0.00 0.00 174.94 172.20 1s1u s GLN 394 N -3.98 3.93 0.00 3.50 -0.21 -1.26 -4.37 119.66 117.28 1s1u s GLN 394 Ca 0.18 -0.09 -0.00 0.00 0.02 0.00 0.00 55.36 55.47 1s1u s GLN 394 Cb -0.02 -3.68 -0.00 0.00 1.00 0.00 0.00 33.01 30.30 1s1u s GLN 394 CO 0.08 -0.31 0.40 1.17 -2.12 0.00 0.00 175.29 174.52 1s1u n LYS 395 N 5.31 -0.00 -0.34 2.91 4.81 -1.26 0.43 118.16 130.01 1s1u n LYS 395 Ca -0.09 0.40 0.17 0.00 -0.87 0.00 0.00 58.31 57.92 1s1u n LYS 395 Cb 0.51 -0.61 0.33 0.00 0.02 0.00 0.00 35.03 35.28 1s1u n LYS 395 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1s1u h GLU 396 N 0.00 0.00 -0.18 1.64 3.07 -1.98 0.54 114.58 117.68 1s1u h GLU 396 Ca 0.00 -0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 1s1u h GLU 396 Cb 0.00 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1s1u h GLU 396 CO -0.00 0.00 -0.09 1.15 -1.40 0.00 0.00 179.01 178.67 1s1u h THR 397 N 0.00 1.31 0.03 1.13 2.02 -0.44 -1.69 112.91 115.28 1s1u h THR 397 Ca 0.63 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 1s1u h THR 397 Cb 1.36 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 1s1u h THR 397 CO -0.91 0.34 -0.02 -0.25 0.37 0.00 0.00 175.52 175.05 1s1u h TRP 398 N 0.05 -0.04 -0.15 3.16 2.91 0.62 -1.62 115.95 120.88 1s1u h TRP 398 Ca 0.04 -0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.10 1s1u h TRP 398 Cb 0.57 0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.23 1s1u h TRP 398 CO 0.07 0.03 0.13 0.93 -1.03 0.00 0.00 178.44 178.57 1s1u h GLU 399 N -0.10 0.00 -0.02 2.65 4.39 -0.14 -0.51 114.58 120.84 1s1u h GLU 399 Ca -0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 1s1u h GLU 399 Cb 0.09 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1s1u h GLU 399 CO 0.01 0.00 -0.94 1.15 -1.16 0.00 0.00 179.01 178.06 1s1u h THR 400 N 0.00 1.35 0.00 1.13 2.02 -0.40 -3.42 112.91 113.59 1s1u h THR 400 Ca 0.07 -2.31 -0.06 0.00 0.77 0.00 0.00 66.41 64.88 1s1u h THR 400 Cb 0.34 2.34 -0.01 0.00 -1.74 0.00 0.00 68.15 69.07 1s1u h THR 400 CO -0.00 0.70 -1.25 0.79 0.37 0.00 0.00 175.52 176.13 1s1u n TRP 401 N -3.81 0.00 -0.32 3.16 7.02 -0.75 -4.78 117.44 117.96 1s1u n TRP 401 Ca -0.08 0.00 0.23 0.00 -1.02 0.00 0.00 57.50 56.63 1s1u n TRP 401 Cb 0.83 -0.17 0.44 0.00 -2.42 0.00 0.00 31.31 29.99 1s1u n TRP 401 CO 0.00 0.00 0.00 -2.67 -2.02 0.00 0.00 177.69 173.00 1s1u n TRP 402 N -2.06 0.90 0.29 -5.99 4.27 -0.25 0.19 117.44 114.79 1s1u n TRP 402 Ca -0.05 1.16 0.18 0.00 -3.89 0.00 0.00 57.50 54.89 1s1u n TRP 402 Cb 0.54 -1.40 0.88 0.00 -1.36 0.00 0.00 31.31 29.97 1s1u n TRP 402 CO 0.00 0.00 0.00 1.79 -2.29 0.00 0.00 177.69 177.19 1s1u h THR 403 N 0.00 0.18 0.00 -1.67 1.35 -1.86 -1.79 112.91 109.11 1s1u h THR 403 Ca 0.72 -0.36 -0.01 0.00 -0.55 0.00 0.00 66.41 66.21 1s1u h THR 403 Cb 1.74 1.30 -0.00 0.00 -1.73 0.00 0.00 68.15 69.46 1s1u h THR 403 CO -0.82 0.04 -0.03 -0.33 -0.25 0.00 0.00 175.52 174.12 1s1u h GLU 404 N 0.00 0.00 0.00 4.72 4.39 0.18 -3.26 114.58 120.61 1s1u h GLU 404 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1s1u h GLU 404 Cb 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1s1u h GLU 404 CO 0.01 0.03 -0.16 0.66 -1.16 0.00 0.00 179.01 178.38 1s1u n TYR 405 N -3.16 0.00 -1.87 4.33 4.02 -1.07 -4.95 117.16 114.45 1s1u n TYR 405 Ca -0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.48 1s1u n TYR 405 Cb 0.27 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.58 1s1u n TYR 405 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 1s1u s TRP 406 N -0.88 2.77 0.00 -0.72 -0.11 -0.70 -4.91 118.94 114.40 1s1u s TRP 406 Ca 0.00 1.06 0.00 0.00 1.22 0.00 0.00 56.10 58.38 1s1u s TRP 406 Cb 0.00 -3.96 0.00 0.00 -1.50 0.00 0.00 33.47 28.01 1s1u s TRP 406 CO 0.00 -2.96 0.00 1.04 -4.62 0.00 0.00 176.95 170.41 1s1u n GLN 407 N 1.33 3.16 -0.50 5.86 6.02 -1.26 -4.33 117.38 127.66 1s1u n GLN 407 Ca 0.04 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.75 1s1u n GLN 407 Cb 0.39 -0.43 0.26 0.00 1.02 0.00 0.00 30.24 31.49 1s1u n GLN 407 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1s1u s ALA 408 N -0.58 -0.67 -0.89 -1.58 0.00 -1.26 -4.95 121.76 111.84 1s1u s ALA 408 Ca 0.00 -0.27 0.14 0.00 0.00 0.00 0.00 51.96 51.83 1s1u s ALA 408 Cb 0.00 -3.19 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 1s1u s ALA 408 CO 0.00 -4.05 0.65 0.25 0.00 0.00 0.00 175.76 172.61 1s1u n THR 409 N -5.09 0.00 -4.37 0.00 -2.24 -1.26 -4.97 114.28 96.35 1s1u n THR 409 Ca 0.04 -0.25 -0.25 0.00 -2.27 0.00 0.00 64.05 61.32 1s1u n THR 409 Cb 0.55 1.06 -0.09 0.00 -2.10 0.00 0.00 70.33 69.76 1s1u n THR 409 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1s1u s TRP 410 N -2.06 2.52 -0.15 4.78 1.48 -1.26 -4.72 118.94 119.53 1s1u s TRP 410 Ca 0.08 -0.43 -0.02 0.00 -1.06 0.00 0.00 56.10 54.66 1s1u s TRP 410 Cb 0.11 -1.44 0.05 0.00 -1.16 0.00 0.00 33.47 31.02 1s1u s TRP 410 CO 0.48 0.51 0.02 0.42 -4.06 0.00 0.00 176.95 174.31 1s1u s ILE 411 N -2.52 0.52 0.87 0.66 1.01 -1.26 -5.05 121.20 115.42 1s1u s ILE 411 Ca 0.34 -0.33 -0.12 0.00 0.00 0.00 0.00 60.65 60.55 1s1u s ILE 411 Cb -0.00 -0.88 0.11 0.00 0.01 0.00 0.00 42.46 41.70 1s1u s ILE 411 CO 0.19 -0.02 1.10 -2.16 0.00 0.00 0.00 174.94 174.05 1s1u s PRO 412 N 1.88 1.51 0.34 2.79 0.04 -1.26 -4.94 135.00 135.36 1s1u s PRO 412 Ca 0.01 0.66 -0.17 0.00 0.04 0.00 0.00 61.00 61.54 1s1u s PRO 412 Cb -0.15 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 1s1u s PRO 412 CO -0.07 -2.03 0.79 -1.21 0.04 0.00 0.00 177.00 174.52 1s1u s GLU 413 N -5.06 4.10 0.12 4.56 2.02 -1.26 -5.00 118.70 118.18 1s1u s GLU 413 Ca 0.63 0.82 -0.14 0.00 0.02 0.00 0.00 54.97 56.29 1s1u s GLU 413 Cb -0.16 -2.43 0.02 0.00 0.10 0.00 0.00 34.13 31.66 1s1u s GLU 413 CO 0.55 0.14 0.34 1.67 0.02 0.00 0.00 175.26 177.99 1s1u s TRP 414 N -1.97 -0.08 0.11 1.61 -2.14 -1.26 -2.23 118.94 112.98 1s1u s TRP 414 Ca 0.55 -0.27 -0.01 0.00 2.66 0.00 0.00 56.10 59.02 1s1u s TRP 414 Cb -0.11 0.17 -0.04 0.00 -3.10 0.00 0.00 33.47 30.39 1s1u s TRP 414 CO 0.17 -0.67 0.05 -1.83 -2.66 0.00 0.00 176.95 172.01 1s1u s GLU 415 N -3.83 0.86 -0.09 3.25 -1.05 -0.97 -4.96 118.70 111.91 1s1u s GLU 415 Ca 0.04 -1.38 0.01 0.00 -0.15 0.00 0.00 54.97 53.50 1s1u s GLU 415 Cb 0.03 0.24 -0.02 0.00 -0.44 0.00 0.00 34.13 33.93 1s1u s GLU 415 CO -0.11 -0.23 -0.10 -0.06 0.95 0.00 0.00 175.26 175.71 1s1u s PHE 416 N -4.01 2.84 0.34 4.83 0.40 -1.26 -0.90 117.98 120.22 1s1u s PHE 416 Ca 0.20 -0.23 0.05 0.00 -0.60 0.00 0.00 56.93 56.35 1s1u s PHE 416 Cb 0.07 -1.75 -0.02 0.00 0.51 0.00 0.00 43.02 41.84 1s1u s PHE 416 CO -0.01 0.12 0.17 1.33 0.70 0.00 0.00 175.22 177.52 1s1u n VAL 417 N 2.71 0.00 -3.85 -0.44 0.24 0.52 -4.90 118.33 112.61 1s1u n VAL 417 Ca -0.18 -2.11 -0.29 0.00 -2.04 0.00 0.00 64.34 59.72 1s1u n VAL 417 Cb 0.53 0.86 -0.13 0.00 -1.47 0.00 0.00 33.84 33.62 1s1u n VAL 417 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1s1u s ASN 418 N -3.16 4.13 0.11 -1.34 0.01 -1.26 -3.95 114.94 109.49 1s1u s ASN 418 Ca 0.24 -3.10 -0.36 0.00 -0.71 0.00 0.00 52.86 48.93 1s1u s ASN 418 Cb 0.01 -1.43 -0.16 0.00 0.41 0.00 0.00 41.25 40.08 1s1u s ASN 418 CO 0.17 -0.21 1.34 0.41 -1.51 0.00 0.00 177.10 177.30 1s1u n THR 419 N 2.96 0.19 -2.68 1.60 -1.04 -1.26 -4.95 114.28 109.10 1s1u n THR 419 Ca 0.10 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.05 61.65 1s1u n THR 419 Cb 0.34 -0.93 -0.04 0.00 -1.82 0.00 0.00 70.33 67.89 1s1u n THR 419 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1s1u s PRO 420 N 0.36 4.61 0.59 -2.82 0.02 -1.26 -4.93 135.00 131.57 1s1u s PRO 420 Ca 0.81 1.48 0.29 0.00 0.02 0.00 0.00 61.00 63.60 1s1u s PRO 420 Cb -0.89 -3.40 1.51 0.00 0.02 0.00 0.00 34.50 31.73 1s1u s PRO 420 CO 0.47 0.06 1.94 -1.35 -0.33 0.00 0.00 177.00 177.78 1s1u h PRO 421 N 6.14 0.00 -0.04 5.54 0.11 -2.01 -1.79 132.00 139.95 1s1u h PRO 421 Ca -0.42 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 1s1u h PRO 421 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1s1u h PRO 421 CO 0.74 0.00 -0.12 -0.07 -0.21 0.00 0.00 178.00 178.34 1s1u h LEU 422 N 0.00 0.18 -0.25 2.35 3.38 -1.99 -2.95 115.31 116.02 1s1u h LEU 422 Ca 0.19 -0.61 0.04 0.00 0.09 0.00 0.00 57.88 57.59 1s1u h LEU 422 Cb 1.04 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 1s1u h LEU 422 CO -0.00 0.76 0.02 1.62 0.09 0.00 0.00 178.44 180.93 1s1u h VAL 423 N -0.39 0.84 -0.92 1.22 3.04 -1.73 0.09 116.25 118.40 1s1u h VAL 423 Ca -0.00 -0.03 0.15 0.00 -1.01 0.00 0.00 66.70 65.80 1s1u h VAL 423 Cb 0.74 0.73 -0.09 0.00 -2.01 0.00 0.00 31.29 30.66 1s1u h VAL 423 CO 0.03 0.02 0.53 0.50 -1.01 0.00 0.00 177.57 177.63 1s1u h LYS 424 N 0.10 0.73 -0.64 4.17 3.64 -1.60 -0.60 116.57 122.37 1s1u h LYS 424 Ca 0.12 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1s1u h LYS 424 Cb 0.14 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1s1u h LYS 424 CO -0.19 0.48 0.24 1.25 -2.27 0.00 0.00 179.45 178.97 1s1u h LEU 425 N 0.75 0.90 0.00 5.20 6.46 -1.05 -2.94 115.31 124.63 1s1u h LEU 425 Ca 0.49 -0.18 0.00 0.00 -0.12 0.00 0.00 57.88 58.07 1s1u h LEU 425 Cb 0.66 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 1s1u h LEU 425 CO -0.34 0.84 0.00 0.79 -0.62 0.00 0.00 178.44 179.11 1s1u n TRP 426 N -4.41 0.00 -4.38 1.25 8.01 -0.10 -4.80 117.44 113.02 1s1u n TRP 426 Ca 0.04 0.00 -0.19 0.00 -1.31 0.00 0.00 57.50 56.04 1s1u n TRP 426 Cb 0.18 0.00 -0.10 0.00 -2.01 0.00 0.00 31.31 29.38 1s1u n TRP 426 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 1s1u s TYR 427 N -2.00 1.79 0.00 -5.99 2.02 -1.11 -4.92 117.35 107.14 1s1u s TYR 427 Ca 0.13 -0.68 0.00 0.00 -0.37 0.00 0.00 57.07 56.15 1s1u s TYR 427 Cb 0.06 -0.95 0.00 0.00 -0.40 0.00 0.00 41.96 40.67 1s1u s TYR 427 CO 0.10 0.26 0.00 0.94 -1.57 0.00 0.00 175.55 175.28