#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjv s ILE 2 N 0.00 5.44 0.60 0.52 1.09 -1.26 -4.36 121.20 123.23 3kjv s ILE 2 Ca 0.00 0.29 -0.17 0.00 -1.10 0.00 0.00 60.65 59.67 3kjv s ILE 2 Cb 0.00 -3.45 -0.03 0.00 -1.06 0.00 0.00 42.46 37.92 3kjv s ILE 2 CO 0.00 0.60 1.10 -0.55 -0.10 0.00 0.00 174.94 175.99 3kjv s SER 3 N -0.92 5.54 0.00 3.58 0.15 0.86 -4.82 113.70 118.08 3kjv s SER 3 Ca 0.16 2.01 0.30 0.00 0.70 0.00 0.00 55.95 59.11 3kjv s SER 3 Cb -0.13 -2.56 1.39 0.00 -1.71 0.00 0.00 66.02 63.02 3kjv s SER 3 CO 0.05 -1.34 1.99 -0.81 1.20 0.00 0.00 173.24 174.33 3kjv n PRO 4 N -1.88 0.27 -1.64 5.44 -0.04 -1.26 -4.67 135.00 131.23 3kjv n PRO 4 Ca 0.10 -0.01 -0.45 0.00 -0.04 0.00 0.00 63.50 63.10 3kjv n PRO 4 Cb 0.52 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 3kjv n PRO 4 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3kjv n ILE 5 N -1.36 1.43 -1.65 0.52 3.06 -1.26 -4.91 119.36 115.19 3kjv n ILE 5 Ca 0.11 -0.36 -0.38 0.00 -2.50 0.00 0.00 62.75 59.63 3kjv n ILE 5 Cb 0.28 -1.25 0.05 0.00 0.54 0.00 0.00 39.64 39.27 3kjv n ILE 5 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3kjv n GLU 6 N 1.34 1.02 -2.74 9.51 -0.58 -1.26 -4.87 120.64 123.06 3kjv n GLU 6 Ca 0.10 0.39 -0.27 0.00 -0.42 0.00 0.00 57.16 56.97 3kjv n GLU 6 Cb 0.31 -2.27 -0.00 0.00 -0.57 0.00 0.00 31.44 28.90 3kjv n GLU 6 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3kjv s THR 7 N -1.46 4.93 -0.21 2.62 -1.32 -1.26 -5.01 115.64 113.92 3kjv s THR 7 Ca 0.76 0.15 -0.05 0.00 -1.21 0.00 0.00 61.69 61.34 3kjv s THR 7 Cb -0.41 -3.86 -0.02 0.00 -1.51 0.00 0.00 72.50 66.70 3kjv s THR 7 CO 0.46 -0.79 0.01 -0.69 -2.21 0.00 0.00 174.62 171.40 3kjv s VAL 8 N -2.66 3.95 -0.04 5.08 1.01 -1.26 -4.98 120.40 121.51 3kjv s VAL 8 Ca 0.47 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 3kjv s VAL 8 Cb -0.10 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 3kjv s VAL 8 CO 0.43 0.41 1.46 -2.16 0.00 0.00 0.00 175.10 175.24 3kjv s PRO 9 N 1.22 4.24 -0.05 2.72 0.04 -1.26 -4.20 135.00 137.71 3kjv s PRO 9 Ca 0.03 2.00 0.03 0.00 0.04 0.00 0.00 61.00 63.10 3kjv s PRO 9 Cb -0.15 -3.71 0.01 0.00 0.04 0.00 0.00 34.50 30.69 3kjv s PRO 9 CO 0.01 -0.68 -0.13 0.14 0.04 0.00 0.00 177.00 176.39 3kjv s VAL 10 N 3.01 1.14 0.54 -0.36 -7.23 -1.26 -5.10 120.40 111.14 3kjv s VAL 10 Ca 0.65 -0.52 0.09 0.00 -1.81 0.00 0.00 61.98 60.39 3kjv s VAL 10 Cb -0.31 -1.01 0.09 0.00 0.56 0.00 0.00 36.38 35.71 3kjv s VAL 10 CO 0.26 0.35 0.73 2.29 -0.31 0.00 0.00 175.10 178.42 3kjv n LYS 11 N 3.49 0.63 -3.05 4.82 2.85 -1.26 -4.75 118.16 120.89 3kjv n LYS 11 Ca -0.20 -2.94 -0.22 0.00 -1.05 0.00 0.00 58.31 53.89 3kjv n LYS 11 Cb 0.53 -0.20 0.01 0.00 -0.65 0.00 0.00 35.03 34.72 3kjv n LYS 11 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3kjv s LEU 12 N 0.00 3.68 0.96 -5.58 1.02 -1.26 -2.46 118.68 115.03 3kjv s LEU 12 Ca 0.56 0.16 -0.12 0.00 0.02 0.00 0.00 54.13 54.74 3kjv s LEU 12 Cb -0.04 -3.05 0.07 0.00 0.02 0.00 0.00 46.19 43.19 3kjv s LEU 12 CO 0.35 -0.68 0.60 0.29 0.02 0.00 0.00 176.35 176.93 3kjv n LYS 13 N -2.01 -0.45 0.14 1.70 5.02 0.33 -4.45 118.16 118.45 3kjv n LYS 13 Ca 0.02 -0.08 0.07 0.00 -2.02 0.00 0.00 58.31 56.30 3kjv n LYS 13 Cb 0.58 -1.99 0.40 0.00 -0.02 0.00 0.00 35.03 33.99 3kjv n LYS 13 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3kjv n PRO 14 N -2.47 0.10 -2.80 1.97 -0.02 -1.26 -3.36 135.00 127.16 3kjv n PRO 14 Ca 0.08 0.57 -0.09 0.00 -2.02 0.00 0.00 63.50 62.04 3kjv n PRO 14 Cb 0.54 -1.97 0.03 0.00 -0.02 0.00 0.00 33.50 32.08 3kjv n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kjv n GLY 15 N -1.30 0.18 3.22 -1.23 0.00 -1.26 -5.14 105.19 99.65 3kjv n GLY 15 Ca -0.01 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 3kjv n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kjv s MET 16 N 0.57 1.03 -0.01 1.61 -1.94 -1.21 -5.07 119.30 114.28 3kjv s MET 16 Ca 0.32 -1.48 0.20 0.00 -1.71 0.00 0.00 55.69 53.02 3kjv s MET 16 Cb 0.18 -0.21 -0.22 0.00 2.01 0.00 0.00 34.83 36.59 3kjv s MET 16 CO -0.20 -0.11 0.56 -3.47 -0.01 0.00 0.00 175.02 171.79 3kjv n ASP 17 N -0.18 0.34 0.00 3.03 2.03 -1.26 -4.99 116.55 115.52 3kjv n ASP 17 Ca -0.08 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.37 3kjv n ASP 17 Cb 0.63 1.11 0.00 0.00 -0.72 0.00 0.00 41.12 42.14 3kjv n ASP 17 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kjv n GLY 18 N 1.38 2.03 3.65 0.27 0.00 -1.26 -5.05 105.19 106.22 3kjv n GLY 18 Ca -0.11 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.60 3kjv n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kjv s PRO 19 N -2.32 -0.51 0.00 1.61 0.04 -1.26 -5.03 135.00 127.53 3kjv s PRO 19 Ca 0.00 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.11 3kjv s PRO 19 Cb 0.00 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.87 3kjv s PRO 19 CO 0.00 -3.27 0.00 0.36 0.04 0.00 0.00 177.00 174.13 3kjv n LYS 20 N -4.47 0.00 -1.44 4.56 2.85 -1.11 -4.02 118.16 114.53 3kjv n LYS 20 Ca 0.11 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.36 3kjv n LYS 20 Cb 0.59 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.97 3kjv n LYS 20 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 3kjv n VAL 21 N 0.00 0.00 -3.67 0.58 0.24 0.13 -4.88 118.33 110.73 3kjv n VAL 21 Ca 0.00 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 3kjv n VAL 21 Cb 0.00 0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.46 3kjv n VAL 21 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3kjv n LYS 22 N -0.05 0.73 0.00 7.34 4.01 -1.26 -4.09 118.16 124.85 3kjv n LYS 22 Ca -0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3kjv n LYS 22 Cb 0.05 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.57 3kjv n LYS 22 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kjv n GLN 23 N 0.00 0.00 0.00 1.97 10.64 -1.26 -4.72 117.38 124.01 3kjv n GLN 23 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3kjv n GLN 23 Cb 0.00 -0.31 0.00 0.00 -0.86 0.00 0.00 30.24 29.07 3kjv n GLN 23 CO 0.00 0.00 0.00 -2.67 -1.83 0.00 0.00 177.06 172.56 3kjv n TRP 24 N -2.63 0.00 0.00 2.61 -0.00 -1.26 -5.07 117.44 111.09 3kjv n TRP 24 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 3kjv n TRP 24 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.55 3kjv n TRP 24 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 3kjv n LYS 32 N 0.00 0.00 -1.99 -2.67 0.00 -1.26 -4.99 118.16 107.25 3kjv n LYS 32 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 58.31 58.06 3kjv n LYS 32 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 3kjv n LYS 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kjv s ALA 33 N 0.00 1.55 -0.32 3.14 0.00 -1.26 -4.91 121.76 119.96 3kjv s ALA 33 Ca 0.00 -1.53 -0.29 0.00 0.00 0.00 0.00 51.96 50.15 3kjv s ALA 33 Cb 0.00 -4.58 -0.01 0.00 0.00 0.00 0.00 23.12 18.53 3kjv s ALA 33 CO 0.00 -5.04 1.58 -0.48 0.00 0.00 0.00 175.76 171.82 3kjv s LEU 34 N 10.88 3.67 0.29 0.00 0.05 -1.26 -4.99 118.68 127.32 3kjv s LEU 34 Ca 0.72 1.23 0.02 0.00 0.05 0.00 0.00 54.13 56.15 3kjv s LEU 34 Cb -0.06 -3.53 -0.03 0.00 -2.05 0.00 0.00 46.19 40.51 3kjv s LEU 34 CO 0.03 -1.44 0.46 0.68 -0.55 0.00 0.00 176.35 175.52 3kjv s VAL 35 N 5.74 5.17 -0.70 1.48 -7.23 -1.26 -5.05 120.40 118.55 3kjv s VAL 35 Ca 0.70 -0.67 0.05 0.00 -1.81 0.00 0.00 61.98 60.25 3kjv s VAL 35 Cb -0.20 -3.85 0.17 0.00 0.56 0.00 0.00 36.38 33.06 3kjv s VAL 35 CO 0.31 -0.44 0.49 -0.70 -0.31 0.00 0.00 175.10 174.46 3kjv s GLU 36 N -4.11 2.46 0.23 4.82 2.56 -1.26 -4.58 118.70 118.82 3kjv s GLU 36 Ca 0.37 -3.35 0.23 0.00 0.00 0.00 0.00 54.97 52.23 3kjv s GLU 36 Cb -0.09 -3.42 0.22 0.00 2.00 0.00 0.00 34.13 32.84 3kjv s GLU 36 CO 0.33 -1.29 1.29 0.82 -0.56 0.00 0.00 175.26 175.85 3kjv h ILE 37 N 4.39 0.00 0.00 -3.70 1.08 -1.97 -3.40 117.51 113.91 3kjv h ILE 37 Ca 0.15 -0.82 0.00 0.00 -0.39 0.00 0.00 64.86 63.80 3kjv h ILE 37 Cb 0.75 1.48 0.00 0.00 -3.07 0.00 0.00 36.82 35.98 3kjv h ILE 37 CO 0.72 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 178.18 3kjv n THR 39 N -1.25 0.14 -0.26 0.00 -2.24 -1.26 -3.76 114.28 105.66 3kjv n THR 39 Ca 0.04 -0.50 -0.07 0.00 -2.27 0.00 0.00 64.05 61.25 3kjv n THR 39 Cb 0.06 -0.02 0.05 0.00 -2.10 0.00 0.00 70.33 68.32 3kjv n THR 39 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3kjv h GLU 40 N 0.00 1.13 -0.11 -0.78 4.22 -0.55 -2.68 114.58 115.81 3kjv h GLU 40 Ca -0.06 -0.26 -0.00 0.00 0.08 0.00 0.00 59.36 59.12 3kjv h GLU 40 Cb 1.06 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 3kjv h GLU 40 CO 0.00 0.99 0.07 0.52 -2.18 0.00 0.00 179.01 178.41 3kjv h MET 41 N 1.07 0.15 -0.92 1.92 2.86 -1.68 -3.11 114.93 115.22 3kjv h MET 41 Ca 0.23 -0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.97 3kjv h MET 41 Cb 0.35 -0.03 -0.13 0.00 0.06 0.00 0.00 31.60 31.85 3kjv h MET 41 CO -0.00 0.14 -0.43 -1.91 1.06 0.00 0.00 176.91 175.77 3kjv n GLU 42 N -4.98 -0.29 0.00 1.72 4.07 -1.03 -0.24 120.64 119.88 3kjv n GLU 42 Ca -0.05 1.40 0.14 0.00 -0.06 0.00 0.00 57.16 58.59 3kjv n GLU 42 Cb 0.05 -2.07 0.76 0.00 -0.06 0.00 0.00 31.44 30.12 3kjv n GLU 42 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 3kjv n LYS 43 N -5.26 0.60 0.00 5.31 2.85 -1.09 -2.60 118.16 117.96 3kjv n LYS 43 Ca 0.06 0.02 0.09 0.00 -1.05 0.00 0.00 58.31 57.43 3kjv n LYS 43 Cb 0.31 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.11 3kjv n LYS 43 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3kjv n GLU 44 N -1.17 0.88 -0.03 -1.58 1.02 0.66 -4.97 120.64 115.46 3kjv n GLU 44 Ca 0.17 -0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 3kjv n GLU 44 Cb 0.17 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 3kjv n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kjv n GLY 45 N 1.42 0.50 0.20 0.62 0.00 -0.74 -4.79 105.19 102.40 3kjv n GLY 45 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.15 3kjv n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kjv h LYS 46 N 3.85 0.00 -3.64 1.61 1.57 -1.75 -3.42 116.57 114.79 3kjv h LYS 46 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 3kjv h LYS 46 Cb 0.00 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.04 3kjv h LYS 46 CO 0.00 0.25 -0.66 0.96 -0.57 0.00 0.00 179.45 179.43 3kjv s ILE 47 N -3.32 0.01 0.30 1.86 -4.36 -1.25 -1.32 121.20 113.12 3kjv s ILE 47 Ca 0.03 -0.08 0.08 0.00 -0.26 0.00 0.00 60.65 60.42 3kjv s ILE 47 Cb 0.08 -0.10 -0.04 0.00 1.25 0.00 0.00 42.46 43.66 3kjv s ILE 47 CO 0.67 -0.04 0.17 -0.44 0.24 0.00 0.00 174.94 175.54 3kjv s SER 48 N -0.11 5.03 0.45 4.36 0.01 -1.20 -3.94 113.70 118.29 3kjv s SER 48 Ca -0.01 -0.54 -0.11 0.00 1.31 0.00 0.00 55.95 56.60 3kjv s SER 48 Cb -0.01 -0.98 -0.06 0.00 0.21 0.00 0.00 66.02 65.17 3kjv s SER 48 CO 0.00 -0.19 0.82 -0.54 0.41 0.00 0.00 173.24 173.74 3kjv s LYS 49 N -3.85 3.75 0.08 12.44 1.02 -1.26 -2.27 119.74 129.65 3kjv s LYS 49 Ca 0.36 0.52 0.05 0.00 0.02 0.00 0.00 55.97 56.92 3kjv s LYS 49 Cb -0.05 -2.33 -0.03 0.00 -0.52 0.00 0.00 37.83 34.90 3kjv s LYS 49 CO 0.24 -0.14 -0.13 0.96 -0.92 0.00 0.00 175.35 175.36 3kjv s ILE 50 N -2.52 1.08 -0.14 2.17 -4.36 0.30 -4.82 121.20 112.90 3kjv s ILE 50 Ca 0.52 -1.40 -0.20 0.00 -0.26 0.00 0.00 60.65 59.31 3kjv s ILE 50 Cb -0.10 -1.15 -0.03 0.00 1.25 0.00 0.00 42.46 42.42 3kjv s ILE 50 CO 0.35 -0.32 0.57 -0.83 0.24 0.00 0.00 174.94 174.95 3kjv s GLY 51 N -1.94 2.30 0.00 6.27 0.00 -1.26 -4.70 107.32 107.99 3kjv s GLY 51 Ca 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 44.72 44.54 3kjv s GLY 51 CO 0.02 1.04 0.19 -1.05 0.00 0.00 0.00 173.10 173.31 3kjv n PRO 52 N 4.23 0.02 0.00 2.90 -0.02 -1.26 -1.87 135.00 139.00 3kjv n PRO 52 Ca -0.04 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 3kjv n PRO 52 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 3kjv n PRO 52 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3kjv n GLU 53 N 2.30 1.03 -2.37 -0.52 -0.00 -1.26 -4.91 120.64 114.90 3kjv n GLU 53 Ca 0.00 -0.99 -0.43 0.00 -0.00 0.00 0.00 57.16 55.75 3kjv n GLU 53 Cb 0.01 -0.98 -0.02 0.00 -0.00 0.00 0.00 31.44 30.45 3kjv n GLU 53 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3kjv s ASN 54 N -0.50 6.35 0.45 -1.84 2.47 -0.78 -4.94 114.94 116.15 3kjv s ASN 54 Ca 0.00 0.77 0.10 0.00 0.42 0.00 0.00 52.86 54.16 3kjv s ASN 54 Cb 0.00 -2.54 1.01 0.00 -1.45 0.00 0.00 41.25 38.27 3kjv s ASN 54 CO 0.00 -1.44 2.09 -0.65 -3.72 0.00 0.00 177.10 173.39 3kjv h PRO 55 N 10.62 0.34 -6.74 0.43 0.11 -1.91 -3.46 132.00 131.39 3kjv h PRO 55 Ca -0.27 -0.02 -0.50 0.00 0.11 0.00 0.00 66.00 65.32 3kjv h PRO 55 Cb 1.10 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3kjv h PRO 55 CO 1.09 0.22 0.08 0.71 -0.21 0.00 0.00 178.00 179.90 3kjv s TYR 56 N -5.34 3.40 -0.13 0.65 2.02 -1.26 -5.01 117.35 111.68 3kjv s TYR 56 Ca -0.07 1.14 -0.15 0.00 -0.37 0.00 0.00 57.07 57.62 3kjv s TYR 56 Cb 0.17 -2.48 0.04 0.00 -0.40 0.00 0.00 41.96 39.29 3kjv s TYR 56 CO 0.71 0.05 0.41 1.21 -1.57 0.00 0.00 175.55 176.36 3kjv s ASN 57 N -2.53 -0.41 -0.02 2.29 2.47 -1.25 -4.74 114.94 110.74 3kjv s ASN 57 Ca 0.53 0.74 0.07 0.00 0.42 0.00 0.00 52.86 54.61 3kjv s ASN 57 Cb -0.10 0.77 -0.02 0.00 -1.45 0.00 0.00 41.25 40.45 3kjv s ASN 57 CO 0.22 -0.19 -0.23 0.42 -3.72 0.00 0.00 177.10 173.59 3kjv s THR 58 N -0.01 1.82 1.04 -5.21 -4.23 -0.57 0.18 115.64 108.67 3kjv s THR 58 Ca -0.02 -0.98 -0.14 0.00 -1.18 0.00 0.00 61.69 59.37 3kjv s THR 58 Cb -0.03 -1.52 0.13 0.00 1.34 0.00 0.00 72.50 72.42 3kjv s THR 58 CO 0.01 0.51 0.52 -0.81 -0.54 0.00 0.00 174.62 174.32 3kjv n PRO 59 N 2.58 -1.16 -4.14 3.99 -0.04 -1.26 -4.23 135.00 130.74 3kjv n PRO 59 Ca -0.16 -0.30 -0.16 0.00 -0.04 0.00 0.00 63.50 62.84 3kjv n PRO 59 Cb 0.52 -1.96 -0.05 0.00 -0.04 0.00 0.00 33.50 31.98 3kjv n PRO 59 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3kjv s VAL 60 N -2.39 0.00 -0.04 0.52 -7.23 -1.26 -3.49 120.40 106.52 3kjv s VAL 60 Ca 0.61 -1.70 -0.18 0.00 -1.81 0.00 0.00 61.98 58.90 3kjv s VAL 60 Cb -0.19 -2.63 0.06 0.00 0.56 0.00 0.00 36.38 34.17 3kjv s VAL 60 CO 0.65 0.00 0.81 2.22 -0.31 0.00 0.00 175.10 178.47 3kjv n PHE 61 N -0.60 -0.14 -4.12 2.82 -1.74 -1.00 -4.95 117.46 107.73 3kjv n PHE 61 Ca 0.03 -0.36 -0.10 0.00 -0.56 0.00 0.00 57.45 56.45 3kjv n PHE 61 Cb 0.62 0.16 -0.10 0.00 1.52 0.00 0.00 39.48 41.67 3kjv n PHE 61 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3kjv s ALA 62 N -1.61 0.77 0.00 1.98 0.00 -1.26 -2.41 121.76 119.23 3kjv s ALA 62 Ca 0.19 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.99 3kjv s ALA 62 Cb -0.00 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.27 3kjv s ALA 62 CO -0.01 -0.21 0.00 0.44 0.00 0.00 0.00 175.76 175.98 3kjv n ILE 63 N 0.38 0.00 0.00 0.00 -5.35 -1.16 -4.99 119.36 108.24 3kjv n ILE 63 Ca -0.15 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 3kjv n ILE 63 Cb 0.59 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 3kjv n ILE 63 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 3kjv n LYS 64 N -0.55 0.00 -2.23 6.28 4.81 -1.26 -4.44 118.16 120.76 3kjv n LYS 64 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.13 3kjv n LYS 64 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 3kjv n LYS 64 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3kjv s LYS 65 N -2.00 3.72 0.53 1.64 2.20 -0.54 -4.55 119.74 120.74 3kjv s LYS 65 Ca 0.00 0.72 0.32 0.00 -0.36 0.00 0.00 55.97 56.65 3kjv s LYS 65 Cb 0.00 -2.17 1.30 0.00 -1.51 0.00 0.00 37.83 35.46 3kjv s LYS 65 CO 0.00 -0.38 1.96 -0.22 -0.36 0.00 0.00 175.35 176.36 3kjv h LYS 66 N 0.30 0.00 -4.44 4.03 3.64 -2.03 -3.16 116.57 114.92 3kjv h LYS 66 Ca -0.46 0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.29 3kjv h LYS 66 Cb 1.19 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 32.62 3kjv h LYS 66 CO 0.62 0.05 -0.74 0.34 -2.27 0.00 0.00 179.45 177.44 3kjv s ASP 67 N -5.80 4.47 -0.85 4.20 2.15 -1.26 -5.06 116.67 114.51 3kjv s ASP 67 Ca 0.01 -1.84 -0.21 0.00 0.43 0.00 0.00 52.55 50.94 3kjv s ASP 67 Cb 0.09 -1.41 -0.20 0.00 -0.30 0.00 0.00 42.92 41.10 3kjv s ASP 67 CO 0.56 -0.35 2.34 -0.24 -0.17 0.00 0.00 175.17 177.31 3kjv n SER 68 N 4.45 0.76 0.00 -0.34 2.88 -1.19 -4.29 113.62 115.87 3kjv n SER 68 Ca -0.01 -1.16 0.00 0.00 -1.33 0.00 0.00 58.87 56.36 3kjv n SER 68 Cb 0.42 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 3kjv n SER 68 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3kjv n THR 69 N 7.73 0.00 -4.33 2.46 -2.24 -1.26 -4.99 114.28 111.65 3kjv n THR 69 Ca 0.54 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 62.12 3kjv n THR 69 Cb 0.34 -0.20 -0.10 0.00 -2.10 0.00 0.00 70.33 68.26 3kjv n THR 69 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3kjv s LYS 70 N -1.58 1.29 -0.78 -0.78 -2.85 -1.26 -5.05 119.74 108.72 3kjv s LYS 70 Ca 0.00 -1.51 -0.02 0.00 -1.00 0.00 0.00 55.97 53.44 3kjv s LYS 70 Cb 0.00 -1.16 0.19 0.00 -2.06 0.00 0.00 37.83 34.81 3kjv s LYS 70 CO 0.00 0.21 0.63 -1.58 0.10 0.00 0.00 175.35 174.71 3kjv s TRP 71 N -2.65 3.69 1.01 1.78 0.52 -1.26 -1.46 118.94 120.56 3kjv s TRP 71 Ca 0.19 -2.95 -0.13 0.00 0.02 0.00 0.00 56.10 53.23 3kjv s TRP 71 Cb -0.02 -3.18 0.19 0.00 -1.15 0.00 0.00 33.47 29.31 3kjv s TRP 71 CO 0.06 -0.76 1.11 1.03 0.02 0.00 0.00 176.95 178.42 3kjv s ARG 72 N -0.91 0.33 0.17 4.98 0.52 -1.26 -4.76 118.95 118.02 3kjv s ARG 72 Ca 0.23 0.34 0.10 0.00 -0.52 0.00 0.00 55.73 55.88 3kjv s ARG 72 Cb -0.12 -1.74 -0.04 0.00 0.52 0.00 0.00 34.95 33.57 3kjv s ARG 72 CO -0.10 -2.76 -0.17 0.21 0.02 0.00 0.00 175.30 172.51 3kjv s LYS 73 N -5.13 1.81 -0.02 3.54 2.47 -1.26 -2.97 119.74 118.18 3kjv s LYS 73 Ca 0.66 -1.34 -0.29 0.00 -1.56 0.00 0.00 55.97 53.44 3kjv s LYS 73 Cb -0.16 -2.04 0.08 0.00 -1.46 0.00 0.00 37.83 34.25 3kjv s LYS 73 CO 0.56 0.43 0.70 -1.17 0.16 0.00 0.00 175.35 176.04 3kjv s LEU 74 N -2.63 -0.61 0.04 5.43 2.96 -1.01 -4.94 118.68 117.93 3kjv s LEU 74 Ca 0.22 0.53 0.07 0.00 -0.22 0.00 0.00 54.13 54.72 3kjv s LEU 74 Cb -0.09 2.47 -0.03 0.00 0.50 0.00 0.00 46.19 49.04 3kjv s LEU 74 CO 0.12 -0.65 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.65 3kjv s VAL 75 N -1.74 2.96 -1.10 1.68 1.01 -1.26 -2.36 120.40 119.58 3kjv s VAL 75 Ca -0.07 -1.13 -0.07 0.00 0.00 0.00 0.00 61.98 60.70 3kjv s VAL 75 Cb -0.00 -2.27 0.29 0.00 0.00 0.00 0.00 36.38 34.40 3kjv s VAL 75 CO 0.04 0.33 1.21 -0.67 0.00 0.00 0.00 175.10 176.01 3kjv n ASP 76 N 1.48 5.74 -0.19 3.32 -0.08 -1.23 -4.70 116.55 120.90 3kjv n ASP 76 Ca -0.16 -3.15 0.00 0.00 -1.51 0.00 0.00 54.79 49.97 3kjv n ASP 76 Cb 0.52 -1.34 0.00 0.00 2.34 0.00 0.00 41.12 42.65 3kjv n ASP 76 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3kjv n PHE 77 N 2.27 0.00 0.20 -0.67 3.72 -1.26 -3.95 117.46 117.76 3kjv n PHE 77 Ca 0.25 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.73 3kjv n PHE 77 Cb 0.37 -0.03 0.48 0.00 -0.94 0.00 0.00 39.48 39.36 3kjv n PHE 77 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3kjv h ARG 78 N 0.11 0.00 0.02 -1.08 2.43 -1.87 0.98 114.38 114.96 3kjv h ARG 78 Ca 0.00 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.83 3kjv h ARG 78 Cb 0.13 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 3kjv h ARG 78 CO 0.00 0.00 -1.89 -1.91 -1.51 0.00 0.00 179.97 174.66 3kjv n GLU 79 N -2.24 0.61 -0.34 0.20 4.07 -1.25 -3.94 120.64 117.74 3kjv n GLU 79 Ca -0.01 0.40 0.03 0.00 -0.06 0.00 0.00 57.16 57.51 3kjv n GLU 79 Cb 0.29 -1.64 0.18 0.00 -0.06 0.00 0.00 31.44 30.21 3kjv n GLU 79 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3kjv h LEU 80 N -0.77 0.90 -1.17 4.31 5.85 -0.64 -2.11 115.31 121.68 3kjv h LEU 80 Ca -0.50 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.28 3kjv h LEU 80 Cb 1.56 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.38 3kjv h LEU 80 CO -0.23 0.55 0.57 0.78 -0.34 0.00 0.00 178.44 179.76 3kjv h ASN 81 N 1.02 0.94 0.05 1.25 2.35 0.57 -1.26 115.58 120.50 3kjv h ASN 81 Ca 0.42 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 3kjv h ASN 81 Cb 0.26 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3kjv h ASN 81 CO -0.20 0.65 0.00 1.17 -1.65 0.00 0.00 177.43 177.40 3kjv n LYS 82 N -4.44 0.76 0.00 0.81 4.81 -0.80 -3.12 118.16 116.19 3kjv n LYS 82 Ca 0.11 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 3kjv n LYS 82 Cb 0.09 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.64 3kjv n LYS 82 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3kjv n ARG 83 N -1.03 3.00 -3.15 1.64 1.74 -0.55 -5.02 116.66 113.29 3kjv n ARG 83 Ca 0.19 -0.11 -0.35 0.00 -0.77 0.00 0.00 57.85 56.81 3kjv n ARG 83 Cb 0.10 -0.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.98 3kjv n ARG 83 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3kjv s THR 84 N -0.46 4.65 0.99 0.55 -4.23 -0.76 -0.51 115.64 115.87 3kjv s THR 84 Ca 0.00 1.10 -0.17 0.00 -1.18 0.00 0.00 61.69 61.44 3kjv s THR 84 Cb 0.00 -3.76 -0.09 0.00 1.34 0.00 0.00 72.50 69.99 3kjv s THR 84 CO 0.00 0.08 -0.49 0.00 -0.54 0.00 0.00 174.62 173.67 3kjv n GLN 85 N 0.37 -0.13 -2.25 3.99 10.64 -1.03 -4.53 117.38 124.44 3kjv n GLN 85 Ca -0.01 -0.03 -0.33 0.00 -1.83 0.00 0.00 57.00 54.81 3kjv n GLN 85 Cb 0.52 -1.26 -0.01 0.00 -0.86 0.00 0.00 30.24 28.62 3kjv n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3kjv s ASP 86 N -1.31 6.22 0.34 2.61 -0.00 -1.26 -4.93 116.67 118.33 3kjv s ASP 86 Ca 0.45 1.71 0.09 0.00 -0.00 0.00 0.00 52.55 54.80 3kjv s ASP 86 Cb -0.17 -2.52 -0.05 0.00 -0.00 0.00 0.00 42.92 40.18 3kjv s ASP 86 CO 0.77 -0.87 0.06 -0.36 -0.00 0.00 0.00 175.17 174.78 3kjv s PHE 87 N -2.49 2.62 -0.51 4.23 0.40 -1.26 -5.08 117.98 115.89 3kjv s PHE 87 Ca 0.62 -0.40 -0.16 0.00 -0.60 0.00 0.00 56.93 56.38 3kjv s PHE 87 Cb -0.13 -1.53 0.09 0.00 0.51 0.00 0.00 43.02 41.96 3kjv s PHE 87 CO 0.33 0.43 0.48 -0.46 0.70 0.00 0.00 175.22 176.70 3kjv s TRP 88 N -2.47 3.20 0.81 0.36 -0.11 -1.26 -5.07 118.94 114.40 3kjv s TRP 88 Ca 0.36 -1.01 -0.13 0.00 1.22 0.00 0.00 56.10 56.54 3kjv s TRP 88 Cb -0.01 -3.49 0.09 0.00 -1.50 0.00 0.00 33.47 28.55 3kjv s TRP 88 CO 0.21 -0.94 1.20 -1.21 -4.62 0.00 0.00 176.95 171.59 3kjv s GLU 89 N 1.83 1.61 0.00 5.86 0.41 -1.26 -4.96 118.70 122.18 3kjv s GLU 89 Ca 0.06 1.75 0.00 0.00 -0.41 0.00 0.00 54.97 56.36 3kjv s GLU 89 Cb -0.26 -1.77 0.00 0.00 -1.78 0.00 0.00 34.13 30.32 3kjv s GLU 89 CO 0.06 -2.24 0.37 1.33 -0.49 0.00 0.00 175.26 174.29 3kjv n VAL 90 N -3.34 0.00 -2.68 2.63 0.24 -1.26 -4.91 118.33 109.01 3kjv n VAL 90 Ca 0.13 -0.46 -0.43 0.00 -2.04 0.00 0.00 64.34 61.55 3kjv n VAL 90 Cb 0.51 1.07 -0.03 0.00 -1.47 0.00 0.00 33.84 33.92 3kjv n VAL 90 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3kjv s GLN 91 N -0.17 3.93 0.06 7.34 2.00 -1.26 -4.87 119.66 126.69 3kjv s GLN 91 Ca 0.00 0.82 0.23 0.00 -2.00 0.00 0.00 55.36 54.42 3kjv s GLN 91 Cb 0.00 -3.79 0.15 0.00 0.80 0.00 0.00 33.01 30.17 3kjv s GLN 91 CO 0.00 -1.01 1.13 1.28 -0.50 0.00 0.00 175.29 176.19 3kjv n LEU 92 N 7.03 0.63 0.00 3.68 4.32 -1.26 -5.02 117.00 126.37 3kjv n LEU 92 Ca 0.10 0.02 0.03 0.00 -0.02 0.00 0.00 56.01 56.15 3kjv n LEU 92 Cb 0.48 -0.13 0.01 0.00 -1.62 0.00 0.00 43.42 42.16 3kjv n LEU 92 CO 0.61 0.04 0.95 0.61 -1.22 0.00 0.00 177.39 178.38 3kjv n GLY 93 N 1.38 0.21 3.44 -0.72 0.00 -1.26 -5.13 105.19 103.10 3kjv n GLY 93 Ca 0.03 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 3kjv n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kjv s ILE 94 N -2.02 3.84 0.60 -0.61 -1.09 -1.26 -5.08 121.20 115.58 3kjv s ILE 94 Ca 0.26 -0.36 -0.19 0.00 -2.23 0.00 0.00 60.65 58.13 3kjv s ILE 94 Cb -0.00 -2.72 -0.03 0.00 -1.58 0.00 0.00 42.46 38.12 3kjv s ILE 94 CO -0.02 0.44 1.25 -2.84 -1.23 0.00 0.00 174.94 172.55 3kjv s PRO 95 N 0.89 2.91 -0.04 2.79 0.02 -1.26 -5.01 135.00 135.29 3kjv s PRO 95 Ca 0.00 1.93 0.04 0.00 0.02 0.00 0.00 61.00 63.00 3kjv s PRO 95 Cb -0.14 -1.96 -0.03 0.00 0.02 0.00 0.00 34.50 32.39 3kjv s PRO 95 CO 0.02 -1.28 -0.15 -1.58 -0.33 0.00 0.00 177.00 173.67 3kjv s HIS 96 N -1.50 2.68 0.14 6.54 2.46 -1.26 -5.02 115.29 119.32 3kjv s HIS 96 Ca 0.78 -0.18 -0.21 0.00 0.47 0.00 0.00 55.06 55.92 3kjv s HIS 96 Cb -0.33 -1.61 0.00 0.00 -0.13 0.00 0.00 32.58 30.51 3kjv s HIS 96 CO 0.36 0.18 1.67 -1.00 -2.47 0.00 0.00 174.74 173.49 3kjv h PRO 97 N 5.28 -0.12 0.00 2.88 0.13 -1.97 -0.29 132.00 137.92 3kjv h PRO 97 Ca -0.46 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3kjv h PRO 97 Cb 1.15 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3kjv h PRO 97 CO 0.50 -0.08 0.20 0.00 -0.23 0.00 0.00 178.00 178.39 3kjv n ALA 98 N -2.58 0.56 0.20 -0.56 0.00 -1.26 0.88 120.51 117.74 3kjv n ALA 98 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.49 3kjv n ALA 98 Cb 0.21 -0.51 0.12 0.00 0.00 0.00 0.00 19.45 19.26 3kjv n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kjv n GLY 99 N -1.16 1.21 3.58 0.00 0.00 -0.12 -4.30 105.19 104.39 3kjv n GLY 99 Ca 0.00 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 3kjv n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kjv s LEU 100 N -1.06 3.97 -0.24 0.99 2.01 0.25 -4.87 118.68 119.73 3kjv s LEU 100 Ca 0.21 0.26 -0.20 0.00 0.01 0.00 0.00 54.13 54.41 3kjv s LEU 100 Cb 0.13 -3.25 -0.02 0.00 0.01 0.00 0.00 46.19 43.06 3kjv s LEU 100 CO 0.18 -1.03 0.61 -1.59 1.01 0.00 0.00 176.35 175.53 3kjv s LYS 101 N 3.76 4.14 0.20 1.70 -2.85 -1.26 -1.98 119.74 123.46 3kjv s LYS 101 Ca 0.38 0.53 -0.30 0.00 -1.00 0.00 0.00 55.97 55.59 3kjv s LYS 101 Cb -0.10 -3.63 -0.09 0.00 -2.06 0.00 0.00 37.83 31.96 3kjv s LYS 101 CO 0.25 -0.34 1.29 0.21 0.10 0.00 0.00 175.35 176.86 3kjv s LYS 102 N 2.27 4.41 0.00 1.78 2.20 -1.25 -4.94 119.74 124.21 3kjv s LYS 102 Ca 0.26 2.03 0.03 0.00 -0.36 0.00 0.00 55.97 57.93 3kjv s LYS 102 Cb -0.16 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 32.93 3kjv s LYS 102 CO 0.09 -0.22 -0.06 0.15 -0.36 0.00 0.00 175.35 174.95 3kjv s LYS 103 N -0.22 2.56 0.17 4.03 1.02 -1.26 -5.01 119.74 121.03 3kjv s LYS 103 Ca 0.56 -0.72 0.01 0.00 0.02 0.00 0.00 55.97 55.84 3kjv s LYS 103 Cb -0.36 -2.51 0.44 0.00 -0.52 0.00 0.00 37.83 34.88 3kjv s LYS 103 CO 0.39 0.60 0.87 1.17 -0.92 0.00 0.00 175.35 177.46 3kjv n LYS 104 N 1.53 -0.04 -4.01 1.68 4.81 -1.06 -4.59 118.16 116.47 3kjv n LYS 104 Ca -0.15 0.83 -0.08 0.00 -0.87 0.00 0.00 58.31 58.04 3kjv n LYS 104 Cb 0.53 -1.33 -0.09 0.00 0.02 0.00 0.00 35.03 34.15 3kjv n LYS 104 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 3kjv s SER 105 N -5.00 0.35 0.04 3.14 0.01 -0.39 -4.90 113.70 106.96 3kjv s SER 105 Ca -0.07 -0.82 -0.23 0.00 1.31 0.00 0.00 55.95 56.14 3kjv s SER 105 Cb 0.16 0.22 0.05 0.00 0.21 0.00 0.00 66.02 66.67 3kjv s SER 105 CO 0.44 -0.59 0.53 0.68 0.41 0.00 0.00 173.24 174.71 3kjv s VAL 106 N -3.51 0.03 0.11 3.43 -7.23 -1.26 -0.22 120.40 111.75 3kjv s VAL 106 Ca 0.03 -0.23 -0.15 0.00 -1.81 0.00 0.00 61.98 59.82 3kjv s VAL 106 Cb 0.05 -0.97 0.03 0.00 0.56 0.00 0.00 36.38 36.04 3kjv s VAL 106 CO -0.09 -0.13 0.36 -0.89 -0.31 0.00 0.00 175.10 174.05 3kjv s THR 107 N -2.40 0.08 -0.30 5.32 2.01 -0.41 -4.95 115.64 115.00 3kjv s THR 107 Ca -0.05 -0.69 -0.03 0.00 0.31 0.00 0.00 61.69 61.23 3kjv s THR 107 Cb -0.01 -1.18 0.10 0.00 0.01 0.00 0.00 72.50 71.43 3kjv s THR 107 CO -0.01 -0.38 0.13 0.54 -0.69 0.00 0.00 174.62 174.21 3kjv s VAL 108 N -3.71 0.14 0.22 3.82 0.11 -1.23 0.11 120.40 119.86 3kjv s VAL 108 Ca 0.03 -0.95 0.10 0.00 -2.93 0.00 0.00 61.98 58.22 3kjv s VAL 108 Cb 0.02 -1.13 -0.04 0.00 -1.53 0.00 0.00 36.38 33.70 3kjv s VAL 108 CO -0.11 -0.74 -0.09 -1.48 -3.33 0.00 0.00 175.10 169.36 3kjv s LEU 109 N 1.93 2.97 0.08 2.54 2.34 -0.93 -2.90 118.68 124.71 3kjv s LEU 109 Ca 0.10 -0.68 0.10 0.00 0.06 0.00 0.00 54.13 53.71 3kjv s LEU 109 Cb -0.17 -1.58 -0.03 0.00 -0.56 0.00 0.00 46.19 43.85 3kjv s LEU 109 CO -0.32 0.06 -0.26 -1.81 -1.06 0.00 0.00 176.35 172.96 3kjv s ASP 110 N -3.21 3.13 0.28 1.48 1.11 -1.24 -0.17 116.67 118.06 3kjv s ASP 110 Ca 0.28 -0.66 -0.29 0.00 0.18 0.00 0.00 52.55 52.06 3kjv s ASP 110 Cb -0.07 -0.24 -0.09 0.00 1.07 0.00 0.00 42.92 43.58 3kjv s ASP 110 CO 0.16 0.21 1.00 -0.69 1.18 0.00 0.00 175.17 177.03 3kjv s VAL 111 N -0.93 3.88 -0.16 -1.27 1.01 -0.07 -4.34 120.40 118.53 3kjv s VAL 111 Ca 0.12 1.80 -0.19 0.00 0.00 0.00 0.00 61.98 63.71 3kjv s VAL 111 Cb -0.10 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 3kjv s VAL 111 CO 0.04 0.36 0.55 -0.83 0.00 0.00 0.00 175.10 175.21 3kjv s GLY 112 N -1.19 2.23 -1.29 4.51 0.00 0.20 -4.52 107.32 107.25 3kjv s GLY 112 Ca 0.45 -0.25 -0.02 0.00 0.00 0.00 0.00 44.72 44.90 3kjv s GLY 112 CO 0.33 1.04 0.69 1.22 0.00 0.00 0.00 173.10 176.38 3kjv n ASP 113 N 4.37 -1.61 0.01 1.64 8.00 -1.26 -4.40 116.55 123.30 3kjv n ASP 113 Ca -0.04 -0.85 -0.18 0.00 0.71 0.00 0.00 54.79 54.43 3kjv n ASP 113 Cb 0.51 -3.97 -0.12 0.00 -0.02 0.00 0.00 41.12 37.52 3kjv n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kjv h ALA 114 N 0.82 0.04 -0.86 2.24 0.00 -1.96 -2.90 119.26 116.64 3kjv h ALA 114 Ca -0.62 -0.58 0.21 0.00 0.00 0.00 0.00 54.91 53.92 3kjv h ALA 114 Cb 1.36 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 19.07 3kjv h ALA 114 CO 0.56 0.32 0.32 1.88 0.00 0.00 0.00 179.25 182.33 3kjv h TYR 115 N -0.20 0.52 -0.09 0.00 -1.99 -1.90 0.45 116.97 113.75 3kjv h TYR 115 Ca -0.08 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.69 3kjv h TYR 115 Cb 1.33 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 39.96 3kjv h TYR 115 CO 0.16 -0.07 0.00 1.19 -0.00 0.00 0.00 178.16 179.44 3kjv n PHE 116 N -5.09 0.23 0.21 4.88 3.01 -1.11 -2.72 117.46 116.88 3kjv n PHE 116 Ca 0.20 -0.09 0.02 0.00 1.01 0.00 0.00 57.45 58.59 3kjv n PHE 116 Cb 0.61 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 3kjv n PHE 116 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3kjv n SER 117 N -0.03 0.90 -4.36 4.37 7.64 0.16 -4.70 113.62 117.59 3kjv n SER 117 Ca 0.04 -0.95 -0.32 0.00 1.01 0.00 0.00 58.87 58.65 3kjv n SER 117 Cb 0.26 0.44 -0.15 0.00 -1.01 0.00 0.00 64.21 63.75 3kjv n SER 117 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3kjv s VAL 118 N -0.86 2.50 0.52 0.44 -7.23 -1.18 -0.10 120.40 114.49 3kjv s VAL 118 Ca 0.04 -0.92 -0.21 0.00 -1.81 0.00 0.00 61.98 59.08 3kjv s VAL 118 Cb 0.04 -1.94 -0.06 0.00 0.56 0.00 0.00 36.38 34.98 3kjv s VAL 118 CO 0.12 0.58 1.23 -2.16 -0.31 0.00 0.00 175.10 174.55 3kjv s PRO 119 N -0.43 3.36 0.08 4.82 0.04 -1.26 -1.75 135.00 139.86 3kjv s PRO 119 Ca 0.05 1.90 -0.12 0.00 0.04 0.00 0.00 61.00 62.86 3kjv s PRO 119 Cb -0.12 -2.22 -0.06 0.00 0.04 0.00 0.00 34.50 32.15 3kjv s PRO 119 CO 0.01 -0.91 0.45 -1.17 0.04 0.00 0.00 177.00 175.42 3kjv s LEU 120 N -3.48 4.38 0.14 -3.56 2.96 -0.47 -4.62 118.68 114.03 3kjv s LEU 120 Ca 0.70 0.91 -0.34 0.00 -0.22 0.00 0.00 54.13 55.18 3kjv s LEU 120 Cb -0.32 -2.97 -0.16 0.00 0.50 0.00 0.00 46.19 43.24 3kjv s LEU 120 CO 0.37 0.19 1.18 -0.67 -1.32 0.00 0.00 176.35 176.10 3kjv n ASP 121 N 1.09 1.25 0.08 3.68 2.03 -1.26 -4.84 116.55 118.58 3kjv n ASP 121 Ca -0.09 1.14 -0.07 0.00 0.52 0.00 0.00 54.79 56.30 3kjv n ASP 121 Cb 0.52 -1.18 -0.04 0.00 -0.72 0.00 0.00 41.12 39.70 3kjv n ASP 121 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3kjv h GLU 122 N 3.56 0.05 0.00 -0.67 4.22 -1.96 -2.72 114.58 117.06 3kjv h GLU 122 Ca -0.44 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 58.93 3kjv h GLU 122 Cb 1.35 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.62 3kjv h GLU 122 CO 0.71 0.92 0.00 -0.25 -2.18 0.00 0.00 179.01 178.22 3kjv n ASP 123 N -3.51 0.00 0.00 1.04 10.43 -1.26 -2.01 116.55 121.24 3kjv n ASP 123 Ca -0.01 -0.27 0.00 0.00 2.57 0.00 0.00 54.79 57.08 3kjv n ASP 123 Cb 0.85 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.81 3kjv n ASP 123 CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 3kjv n PHE 124 N -0.79 0.00 -0.29 1.24 7.35 -1.11 -4.83 117.46 119.03 3kjv n PHE 124 Ca 0.03 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.67 3kjv n PHE 124 Cb 0.01 0.00 0.07 0.00 0.35 0.00 0.00 39.48 39.91 3kjv n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kjv h ARG 125 N 0.00 1.06 -0.92 -4.13 3.08 -1.10 -2.40 114.38 109.97 3kjv h ARG 125 Ca 0.00 -0.07 0.26 0.00 0.07 0.00 0.00 59.98 60.23 3kjv h ARG 125 Cb 0.00 -0.23 -0.14 0.00 0.08 0.00 0.00 29.97 29.67 3kjv h ARG 125 CO 0.00 0.72 0.36 1.57 -1.07 0.00 0.00 179.97 181.55 3kjv h LYS 126 N 1.08 0.27 0.00 0.04 2.10 -1.88 0.24 116.57 118.42 3kjv h LYS 126 Ca 0.29 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.91 3kjv h LYS 126 Cb -0.10 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.17 3kjv h LYS 126 CO -0.06 0.18 -0.09 1.88 -2.00 0.00 0.00 179.45 179.36 3kjv h TYR 127 N 0.28 0.00 -0.22 0.07 0.05 -1.79 -0.71 116.97 114.64 3kjv h TYR 127 Ca 0.61 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 59.32 3kjv h TYR 127 Cb 1.27 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.97 3kjv h TYR 127 CO -0.17 0.09 0.09 0.25 -1.05 0.00 0.00 178.16 177.37 3kjv n THR 128 N -3.87 1.19 -2.46 -2.88 -2.24 0.83 -4.68 114.28 100.17 3kjv n THR 128 Ca -0.02 -0.48 -0.43 0.00 -2.27 0.00 0.00 64.05 60.85 3kjv n THR 128 Cb 0.18 -0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 67.77 3kjv n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kjv s ALA 129 N -1.26 3.62 0.24 6.98 0.00 -0.27 -4.08 121.76 126.99 3kjv s ALA 129 Ca 0.16 0.47 0.08 0.00 0.00 0.00 0.00 51.96 52.67 3kjv s ALA 129 Cb 0.13 -3.58 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 3kjv s ALA 129 CO 0.04 -1.04 -0.13 -0.59 0.00 0.00 0.00 175.76 174.04 3kjv s PHE 130 N 3.10 1.89 -0.11 0.00 -0.71 -0.65 -1.50 117.98 119.99 3kjv s PHE 130 Ca 0.54 -0.56 -0.04 0.00 -1.04 0.00 0.00 56.93 55.83 3kjv s PHE 130 Cb -0.22 -0.92 0.06 0.00 -1.21 0.00 0.00 43.02 40.73 3kjv s PHE 130 CO 0.16 0.41 0.21 0.95 -1.34 0.00 0.00 175.22 175.60 3kjv s THR 131 N -2.89 -0.33 0.62 -4.49 -4.23 -1.26 -1.99 115.64 101.07 3kjv s THR 131 Ca 0.26 0.28 -0.18 0.00 -1.18 0.00 0.00 61.69 60.87 3kjv s THR 131 Cb -0.00 -0.39 -0.02 0.00 1.34 0.00 0.00 72.50 73.42 3kjv s THR 131 CO 0.10 0.10 1.23 -0.63 -0.54 0.00 0.00 174.62 174.88 3kjv s ILE 132 N 2.35 2.46 0.00 2.99 1.01 -0.87 -4.87 121.20 124.27 3kjv s ILE 132 Ca 0.03 0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.96 3kjv s ILE 132 Cb -0.12 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.25 3kjv s ILE 132 CO -0.07 -0.07 0.71 -2.65 0.00 0.00 0.00 174.94 172.86 3kjv n PRO 133 N -1.75 0.00 -3.49 2.79 -0.02 -1.26 -3.62 135.00 127.64 3kjv n PRO 133 Ca 0.14 0.29 -0.12 0.00 -2.02 0.00 0.00 63.50 61.79 3kjv n PRO 133 Cb 0.49 -1.21 -0.04 0.00 -0.02 0.00 0.00 33.50 32.73 3kjv n PRO 133 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3kjv s SER 134 N -2.17 -0.50 0.24 2.55 0.01 -1.26 -3.41 113.70 109.16 3kjv s SER 134 Ca 0.00 0.25 -0.06 0.00 1.31 0.00 0.00 55.95 57.45 3kjv s SER 134 Cb 0.00 0.47 0.23 0.00 0.21 0.00 0.00 66.02 66.94 3kjv s SER 134 CO 0.00 -0.67 1.84 0.40 0.41 0.00 0.00 173.24 175.21 3kjv h ILE 135 N 2.34 1.25 -2.09 1.44 2.04 -1.94 -3.33 117.51 117.23 3kjv h ILE 135 Ca -0.26 -0.71 -0.39 0.00 1.00 0.00 0.00 64.86 64.50 3kjv h ILE 135 Cb 1.22 0.20 -0.33 0.00 -0.74 0.00 0.00 36.82 37.17 3kjv h ILE 135 CO 0.35 0.30 -0.69 0.54 0.00 0.00 0.00 178.15 178.65 3kjv s ASN 136 N -6.33 1.55 -1.13 1.72 6.03 -1.26 -4.96 114.94 110.57 3kjv s ASN 136 Ca -0.12 -1.44 -0.16 0.00 -1.03 0.00 0.00 52.86 50.11 3kjv s ASN 136 Cb 0.16 0.42 0.02 0.00 -3.03 0.00 0.00 41.25 38.83 3kjv s ASN 136 CO 0.83 -0.30 0.30 0.59 -2.03 0.00 0.00 177.10 176.49 3kjv n ASN 137 N 4.51 -1.46 0.00 3.54 3.02 -1.25 -4.59 115.26 119.03 3kjv n ASN 137 Ca 0.08 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 3kjv n ASN 137 Cb 0.44 -1.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.31 3kjv n ASN 137 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3kjv n GLU 138 N -4.18 0.00 -1.06 3.52 4.07 -1.26 -5.07 120.64 116.66 3kjv n GLU 138 Ca -0.17 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.58 3kjv n GLU 138 Cb 0.51 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.89 3kjv n GLU 138 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3kjv n THR 139 N 0.00 0.65 -1.68 6.31 -2.24 -1.26 -4.65 114.28 111.42 3kjv n THR 139 Ca 0.00 -0.41 -0.47 0.00 -2.27 0.00 0.00 64.05 60.91 3kjv n THR 139 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 3kjv n THR 139 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3kjv n PRO 140 N 1.05 2.34 -0.14 -0.78 -0.04 -1.26 -4.57 135.00 131.60 3kjv n PRO 140 Ca 0.10 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 3kjv n PRO 140 Cb 0.31 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 3kjv n PRO 140 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kjv n GLY 141 N 4.34 -0.24 3.94 0.55 0.00 -1.22 -5.01 105.19 107.55 3kjv n GLY 141 Ca 0.21 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.23 3kjv n GLY 141 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kjv s ILE 142 N -0.07 5.12 -0.23 -0.61 2.07 -1.24 -4.95 121.20 121.29 3kjv s ILE 142 Ca 0.00 -0.51 -0.03 0.00 -1.41 0.00 0.00 60.65 58.70 3kjv s ILE 142 Cb 0.00 -3.86 0.10 0.00 0.13 0.00 0.00 42.46 38.84 3kjv s ILE 142 CO 0.00 -0.52 0.23 -0.13 -1.91 0.00 0.00 174.94 172.61 3kjv s ARG 143 N -4.24 0.22 0.21 3.50 0.52 -1.26 -2.06 118.95 115.84 3kjv s ARG 143 Ca 0.39 0.09 0.07 0.00 -0.52 0.00 0.00 55.73 55.77 3kjv s ARG 143 Cb -0.10 -1.08 -0.04 0.00 0.52 0.00 0.00 34.95 34.26 3kjv s ARG 143 CO 0.35 -0.76 0.07 0.71 0.02 0.00 0.00 175.30 175.69 3kjv s TYR 144 N 2.32 2.93 0.49 -0.53 2.02 -0.84 0.11 117.35 123.85 3kjv s TYR 144 Ca 0.08 -0.13 0.08 0.00 -0.37 0.00 0.00 57.07 56.73 3kjv s TYR 144 Cb -0.15 -1.36 0.03 0.00 -0.40 0.00 0.00 41.96 40.08 3kjv s TYR 144 CO -0.18 0.54 0.56 -0.65 -1.57 0.00 0.00 175.55 174.25 3kjv s GLN 145 N -3.37 2.47 0.00 -0.62 -0.21 -0.96 -1.64 119.66 115.33 3kjv s GLN 145 Ca 0.30 -1.60 -0.04 0.00 0.02 0.00 0.00 55.36 54.04 3kjv s GLN 145 Cb -0.08 -2.49 -0.04 0.00 1.00 0.00 0.00 33.01 31.39 3kjv s GLN 145 CO 0.21 -0.51 0.22 0.71 -2.12 0.00 0.00 175.29 173.80 3kjv s TYR 146 N -2.57 3.56 -0.66 0.91 1.51 -1.26 -3.24 117.35 115.59 3kjv s TYR 146 Ca 0.51 0.44 0.06 0.00 -1.01 0.00 0.00 57.07 57.07 3kjv s TYR 146 Cb -0.05 -1.89 0.08 0.00 -0.11 0.00 0.00 41.96 39.99 3kjv s TYR 146 CO 0.31 0.63 0.82 0.09 -1.11 0.00 0.00 175.55 176.29 3kjv n ASN 147 N 0.97 1.78 -4.16 2.29 3.02 -0.43 -4.69 115.26 114.04 3kjv n ASN 147 Ca -0.11 -1.47 -0.21 0.00 -0.03 0.00 0.00 54.58 52.76 3kjv n ASN 147 Cb 0.53 -0.04 -0.09 0.00 -0.61 0.00 0.00 39.78 39.57 3kjv n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3kjv s VAL 148 N -0.64 0.62 -0.05 2.41 -7.23 -1.24 -1.37 120.40 112.90 3kjv s VAL 148 Ca 0.08 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.96 3kjv s VAL 148 Cb 0.05 -2.53 -0.06 0.00 0.56 0.00 0.00 36.38 34.40 3kjv s VAL 148 CO 0.08 0.00 1.80 -0.76 -0.31 0.00 0.00 175.10 175.91 3kjv s LEU 149 N -3.47 4.26 1.07 1.32 1.43 -0.72 -4.40 118.68 118.17 3kjv s LEU 149 Ca 0.32 2.31 -0.12 0.00 -1.03 0.00 0.00 54.13 55.61 3kjv s LEU 149 Cb 0.05 -3.53 0.23 0.00 0.03 0.00 0.00 46.19 42.97 3kjv s LEU 149 CO 0.16 -1.08 1.06 -2.84 0.23 0.00 0.00 176.35 173.88 3kjv s PRO 150 N 4.41 -0.15 0.00 1.29 0.02 -1.26 -4.15 135.00 135.17 3kjv s PRO 150 Ca 0.81 0.74 0.24 0.00 0.02 0.00 0.00 61.00 62.81 3kjv s PRO 150 Cb -0.36 -1.65 0.89 0.00 0.02 0.00 0.00 34.50 33.40 3kjv s PRO 150 CO 0.34 -3.18 1.64 0.94 -0.33 0.00 0.00 177.00 176.41 3kjv n GLN 151 N -4.52 1.69 -0.54 5.54 -0.06 -1.26 -4.28 117.38 113.96 3kjv n GLN 151 Ca 0.05 -1.03 -0.01 0.00 -2.00 0.00 0.00 57.00 54.01 3kjv n GLN 151 Cb 0.55 -1.43 -0.01 0.00 -4.06 0.00 0.00 30.24 25.29 3kjv n GLN 151 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3kjv n GLY 152 N 1.15 0.88 3.83 1.69 0.00 -1.26 -5.00 105.19 106.47 3kjv n GLY 152 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3kjv n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kjv s TRP 153 N 0.00 3.59 -0.60 1.61 -0.00 -1.26 -4.58 118.94 117.70 3kjv s TRP 153 Ca 0.00 1.25 0.22 0.00 -0.00 0.00 0.00 56.10 57.57 3kjv s TRP 153 Cb 0.00 -2.52 0.90 0.00 -0.00 0.00 0.00 33.47 31.86 3kjv s TRP 153 CO 0.00 0.33 1.67 0.36 -0.00 0.00 0.00 176.95 179.31 3kjv n LYS 154 N 0.58 0.16 0.09 5.86 2.85 -1.26 -2.29 118.16 124.14 3kjv n LYS 154 Ca -0.02 0.37 -0.06 0.00 -1.05 0.00 0.00 58.31 57.55 3kjv n LYS 154 Cb 0.52 -1.79 0.09 0.00 -0.65 0.00 0.00 35.03 33.20 3kjv n LYS 154 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 3kjv h GLY 155 N 2.44 0.24 0.45 2.58 0.00 -1.95 -3.41 103.07 103.42 3kjv h GLY 155 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3kjv h GLY 155 CO 0.00 0.28 -0.43 1.76 0.00 0.00 0.00 176.54 178.16 3kjv h SER 156 N 0.15 -1.17 0.00 0.19 0.02 -1.76 -1.33 113.55 109.66 3kjv h SER 156 Ca -0.01 0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3kjv h SER 156 Cb 1.20 0.38 -0.04 0.00 0.14 0.00 0.00 62.40 64.08 3kjv h SER 156 CO 0.10 -0.57 -0.36 -0.65 -1.14 0.00 0.00 176.83 174.21 3kjv h PRO 157 N -0.87 -0.44 -0.41 3.45 0.11 -1.79 0.57 132.00 132.61 3kjv h PRO 157 Ca -0.06 0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.17 3kjv h PRO 157 Cb 0.75 0.10 -0.09 0.00 0.11 0.00 0.00 31.00 31.87 3kjv h PRO 157 CO -0.04 -0.29 -0.19 0.00 -0.21 0.00 0.00 178.00 177.27 3kjv h ALA 158 N -0.78 0.12 -0.16 -0.75 0.00 -1.79 0.89 119.26 116.79 3kjv h ALA 158 Ca 0.01 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kjv h ALA 158 Cb 0.49 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3kjv h ALA 158 CO -0.24 -0.55 0.09 0.82 0.00 0.00 0.00 179.25 179.37 3kjv h ILE 159 N -0.11 1.09 0.06 0.00 2.04 -0.81 -1.49 117.51 118.29 3kjv h ILE 159 Ca 0.20 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.83 3kjv h ILE 159 Cb 0.42 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 3kjv h ILE 159 CO -0.48 0.08 -0.15 0.15 0.00 0.00 0.00 178.15 177.75 3kjv h PHE 160 N 0.16 -0.39 -0.28 1.37 3.04 0.68 -0.57 116.94 120.94 3kjv h PHE 160 Ca 0.06 0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.08 3kjv h PHE 160 Cb 0.06 0.16 -0.08 0.00 2.56 0.00 0.00 35.95 38.66 3kjv h PHE 160 CO -0.04 -0.22 -0.26 1.96 -2.02 0.00 0.00 178.31 177.73 3kjv h GLN 161 N -0.28 -0.24 -0.35 1.11 4.20 -0.68 0.39 115.11 119.26 3kjv h GLN 161 Ca 0.03 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.82 3kjv h GLN 161 Cb 0.31 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 28.06 3kjv h GLN 161 CO -0.10 -0.16 -0.46 1.03 -0.67 0.00 0.00 178.83 178.47 3kjv h SER 162 N -0.25 -1.52 -0.39 1.46 0.87 -1.05 -1.54 113.55 111.14 3kjv h SER 162 Ca 0.15 0.22 0.07 0.00 -1.23 0.00 0.00 61.79 60.99 3kjv h SER 162 Cb 0.48 0.64 -0.06 0.00 -0.44 0.00 0.00 62.40 63.02 3kjv h SER 162 CO -0.42 -0.39 0.04 0.28 -0.53 0.00 0.00 176.83 175.80 3kjv h SER 163 N -0.38 -0.08 0.01 6.23 0.02 -0.22 0.25 113.55 119.37 3kjv h SER 163 Ca 0.11 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3kjv h SER 163 Cb 0.60 0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.26 3kjv h SER 163 CO -0.55 -0.01 -0.05 -0.03 -1.14 0.00 0.00 176.83 175.06 3kjv h MET 164 N 0.15 -0.06 -0.74 3.45 -1.53 0.21 -1.61 114.93 114.80 3kjv h MET 164 Ca 0.19 0.00 0.09 0.00 -3.44 0.00 0.00 59.70 56.54 3kjv h MET 164 Cb 0.25 0.01 -0.10 0.00 -0.55 0.00 0.00 31.60 31.21 3kjv h MET 164 CO -0.28 -0.04 -0.37 2.41 0.14 0.00 0.00 176.91 178.76 3kjv n THR 165 N -2.74 -0.45 0.17 -0.77 -1.04 -0.62 0.00 114.28 108.82 3kjv n THR 165 Ca -0.01 1.76 0.03 0.00 -2.04 0.00 0.00 64.05 63.79 3kjv n THR 165 Cb 0.04 -2.24 0.14 0.00 -1.82 0.00 0.00 70.33 66.44 3kjv n THR 165 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3kjv n LYS 166 N -4.99 0.01 -0.11 -2.82 4.81 0.87 -2.46 118.16 113.47 3kjv n LYS 166 Ca 0.04 0.43 -0.24 0.00 -0.87 0.00 0.00 58.31 57.67 3kjv n LYS 166 Cb 0.24 -1.53 -0.08 0.00 0.02 0.00 0.00 35.03 33.68 3kjv n LYS 166 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3kjv n ILE 167 N -1.56 1.25 0.00 3.15 5.41 0.10 -4.21 119.36 123.51 3kjv n ILE 167 Ca 0.01 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.47 3kjv n ILE 167 Cb 0.06 -1.83 0.00 0.00 -0.71 0.00 0.00 39.64 37.16 3kjv n ILE 167 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3kjv n LEU 168 N -4.03 0.00 0.28 1.39 4.77 -0.14 -3.69 117.00 115.59 3kjv n LEU 168 Ca -0.43 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.43 3kjv n LEU 168 Cb 0.80 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.83 3kjv n LEU 168 CO 0.03 0.00 0.34 -0.08 -1.33 0.00 0.00 177.39 176.35 3kjv h GLU 169 N 0.00 -0.72 0.00 3.23 4.81 -1.65 -2.37 114.58 117.88 3kjv h GLU 169 Ca 0.00 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3kjv h GLU 169 Cb 0.00 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3kjv h GLU 169 CO 0.00 -0.48 0.08 -1.35 -0.73 0.00 0.00 179.01 176.52 3kjv h PRO 170 N -1.07 0.00 0.14 0.92 0.11 -1.87 0.70 132.00 130.92 3kjv h PRO 170 Ca -0.08 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.75 3kjv h PRO 170 Cb 0.58 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.70 3kjv h PRO 170 CO 0.13 0.00 -1.26 0.35 -0.21 0.00 0.00 178.00 177.01 3kjv h PHE 171 N 0.00 0.58 0.00 0.65 3.57 -1.77 0.28 116.94 120.25 3kjv h PHE 171 Ca 0.00 -0.42 0.00 0.00 3.53 0.00 0.00 57.97 61.08 3kjv h PHE 171 Cb 0.15 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.87 3kjv h PHE 171 CO 0.00 1.32 0.00 0.54 -2.23 0.00 0.00 178.31 177.94 3kjv n ARG 172 N -3.58 0.44 -0.01 1.11 1.74 0.24 -0.09 116.66 116.52 3kjv n ARG 172 Ca -0.10 0.04 -0.01 0.00 -0.77 0.00 0.00 57.85 57.01 3kjv n ARG 172 Cb 1.02 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.96 3kjv n ARG 172 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3kjv n LYS 173 N -1.24 0.04 0.28 5.56 2.85 -0.93 -3.55 118.16 121.17 3kjv n LYS 173 Ca 0.13 0.01 0.18 0.00 -1.05 0.00 0.00 58.31 57.58 3kjv n LYS 173 Cb 0.19 -0.99 0.89 0.00 -0.65 0.00 0.00 35.03 34.47 3kjv n LYS 173 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 3kjv h GLN 174 N -0.01 0.00 -2.86 -1.58 5.75 -0.48 -2.72 115.11 113.21 3kjv h GLN 174 Ca -0.04 0.00 -0.56 0.00 -0.15 0.00 0.00 58.65 57.91 3kjv h GLN 174 Cb 1.05 0.00 -0.40 0.00 1.07 0.00 0.00 27.48 29.21 3kjv h GLN 174 CO -0.01 0.00 -0.79 -0.80 -2.65 0.00 0.00 178.83 174.58 3kjv s ASN 175 N -4.95 3.47 0.00 -0.69 -0.87 0.87 -5.00 114.94 107.77 3kjv s ASN 175 Ca -0.04 -1.65 0.02 0.00 -1.57 0.00 0.00 52.86 49.62 3kjv s ASN 175 Cb 0.12 -0.48 0.15 0.00 -0.02 0.00 0.00 41.25 41.02 3kjv s ASN 175 CO 0.39 -0.39 0.49 -2.65 -2.57 0.00 0.00 177.10 172.36 3kjv n PRO 176 N 4.78 0.30 0.00 -0.60 -0.02 -1.03 -3.85 135.00 134.58 3kjv n PRO 176 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3kjv n PRO 176 Cb 0.40 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 3kjv n PRO 176 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3kjv n ASP 177 N -0.63 0.00 -4.74 2.55 5.68 -1.26 -4.98 116.55 113.16 3kjv n ASP 177 Ca 0.02 -0.29 -0.39 0.00 -0.50 0.00 0.00 54.79 53.63 3kjv n ASP 177 Cb 0.01 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 3kjv n ASP 177 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3kjv s ILE 178 N 0.00 5.03 -0.23 2.12 1.01 -1.25 -4.63 121.20 123.25 3kjv s ILE 178 Ca 0.00 1.21 -0.08 0.00 0.00 0.00 0.00 60.65 61.78 3kjv s ILE 178 Cb 0.00 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 3kjv s ILE 178 CO 0.00 0.35 0.09 -0.69 0.00 0.00 0.00 174.94 174.69 3kjv s VAL 179 N 0.29 4.75 -0.28 2.92 1.01 0.41 -4.89 120.40 124.61 3kjv s VAL 179 Ca 0.31 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.29 3kjv s VAL 179 Cb -0.17 -3.20 0.06 0.00 0.00 0.00 0.00 36.38 33.07 3kjv s VAL 179 CO 0.15 0.37 -0.08 -0.63 0.00 0.00 0.00 175.10 174.92 3kjv s ILE 180 N 1.11 2.28 -0.34 2.22 1.01 -1.26 0.12 121.20 126.34 3kjv s ILE 180 Ca 0.05 -1.70 -0.25 0.00 0.00 0.00 0.00 60.65 58.75 3kjv s ILE 180 Cb -0.14 -2.38 0.01 0.00 0.01 0.00 0.00 42.46 39.96 3kjv s ILE 180 CO 0.04 -0.11 0.88 -0.31 0.00 0.00 0.00 174.94 175.44 3kjv s TYR 181 N 1.09 3.13 -0.34 3.97 1.51 0.02 -4.90 117.35 121.83 3kjv s TYR 181 Ca -0.06 0.79 -0.05 0.00 -1.01 0.00 0.00 57.07 56.74 3kjv s TYR 181 Cb -0.20 -3.49 0.05 0.00 -0.11 0.00 0.00 41.96 38.21 3kjv s TYR 181 CO -0.05 -0.73 0.10 -1.14 -1.11 0.00 0.00 175.55 172.61 3kjv s GLN 182 N 3.29 2.50 -0.29 -0.62 0.74 -1.26 -1.84 119.66 122.18 3kjv s GLN 182 Ca 0.36 -1.29 0.03 0.00 0.05 0.00 0.00 55.36 54.50 3kjv s GLN 182 Cb -0.13 -3.42 0.08 0.00 1.10 0.00 0.00 33.01 30.65 3kjv s GLN 182 CO 0.16 -0.72 -0.02 -0.47 -0.55 0.00 0.00 175.29 173.70 3kjv s TYR 183 N 1.33 3.16 0.00 1.67 5.04 -0.91 -4.99 117.35 122.65 3kjv s TYR 183 Ca -0.01 -2.43 0.00 0.00 -2.44 0.00 0.00 57.07 52.18 3kjv s TYR 183 Cb -0.20 -2.24 0.00 0.00 0.35 0.00 0.00 41.96 39.87 3kjv s TYR 183 CO 0.01 -0.89 0.00 -0.12 -1.34 0.00 0.00 175.55 173.21 3kjv n MET 184 N 4.44 0.00 -0.36 4.97 1.56 -1.26 -1.29 117.12 125.18 3kjv n MET 184 Ca -0.05 0.00 0.09 0.00 -0.27 0.00 0.00 57.70 57.46 3kjv n MET 184 Cb 0.42 0.00 0.23 0.00 2.15 0.00 0.00 33.22 36.03 3kjv n MET 184 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 3kjv n ASP 185 N 10.58 3.54 -4.42 6.12 3.85 -1.26 -4.82 116.55 130.13 3kjv n ASP 185 Ca 0.00 -2.98 -0.32 0.00 -0.71 0.00 0.00 54.79 50.78 3kjv n ASP 185 Cb 0.00 -0.51 -0.14 0.00 -1.35 0.00 0.00 41.12 39.13 3kjv n ASP 185 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3kjv s ASP 186 N -2.07 3.68 0.06 -1.12 3.68 -0.41 -0.89 116.67 119.60 3kjv s ASP 186 Ca 0.39 -0.34 0.06 0.00 2.13 0.00 0.00 52.55 54.79 3kjv s ASP 186 Cb 0.32 -0.64 -0.03 0.00 -1.45 0.00 0.00 42.92 41.13 3kjv s ASP 186 CO 0.08 0.31 -0.17 -0.76 0.13 0.00 0.00 175.17 174.77 3kjv s LEU 187 N -0.90 2.22 -0.04 -1.34 1.43 0.77 -2.14 118.68 118.69 3kjv s LEU 187 Ca 0.12 -0.55 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 3kjv s LEU 187 Cb -0.10 -0.70 -0.00 0.00 0.03 0.00 0.00 46.19 45.42 3kjv s LEU 187 CO 0.01 0.03 -0.14 -0.47 0.23 0.00 0.00 176.35 176.01 3kjv s TYR 188 N -1.01 1.45 -0.05 0.29 5.04 -0.77 -2.20 117.35 120.10 3kjv s TYR 188 Ca 0.03 -0.40 0.05 0.00 -2.44 0.00 0.00 57.07 54.31 3kjv s TYR 188 Cb -0.09 -0.99 -0.02 0.00 0.35 0.00 0.00 41.96 41.21 3kjv s TYR 188 CO 0.02 -0.14 -0.20 0.08 -1.34 0.00 0.00 175.55 173.98 3kjv s VAL 189 N 0.08 2.56 -0.06 3.14 1.01 0.29 -0.80 120.40 126.62 3kjv s VAL 189 Ca -0.03 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.05 3kjv s VAL 189 Cb -0.10 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.33 3kjv s VAL 189 CO 0.01 0.58 -0.04 -0.83 0.00 0.00 0.00 175.10 174.82 3kjv s GLY 190 N -0.47 0.49 -0.01 4.51 0.00 0.32 -1.28 107.32 110.89 3kjv s GLY 190 Ca 0.06 -0.12 0.03 0.00 0.00 0.00 0.00 44.72 44.69 3kjv s GLY 190 CO 0.01 0.61 -0.10 -1.35 0.00 0.00 0.00 173.10 172.28 3kjv s SER 191 N 1.20 1.13 -0.03 1.64 1.04 0.69 0.15 113.70 119.53 3kjv s SER 191 Ca -0.07 -0.17 0.04 0.00 0.48 0.00 0.00 55.95 56.23 3kjv s SER 191 Cb -0.14 -0.13 0.15 0.00 0.10 0.00 0.00 66.02 66.00 3kjv s SER 191 CO -0.02 0.12 0.91 0.47 0.98 0.00 0.00 173.24 175.70 3kjv n ASP 192 N 2.86 1.43 -4.64 7.02 10.43 -1.26 -1.26 116.55 131.12 3kjv n ASP 192 Ca -0.14 -2.10 -0.27 0.00 2.57 0.00 0.00 54.79 54.85 3kjv n ASP 192 Cb 0.57 -0.34 -0.08 0.00 1.84 0.00 0.00 41.12 43.11 3kjv n ASP 192 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3kjv s LEU 193 N -0.76 3.25 0.48 0.64 1.02 -1.26 -4.89 118.68 117.17 3kjv s LEU 193 Ca 0.10 -0.42 -0.22 0.00 0.02 0.00 0.00 54.13 53.62 3kjv s LEU 193 Cb 0.07 -1.91 -0.07 0.00 0.02 0.00 0.00 46.19 44.30 3kjv s LEU 193 CO 0.05 0.10 1.12 -1.83 0.02 0.00 0.00 176.35 175.81 3kjv s GLU 194 N -2.88 3.68 0.23 1.70 4.04 -1.26 -4.09 118.70 120.13 3kjv s GLU 194 Ca 0.27 1.64 0.08 0.00 0.04 0.00 0.00 54.97 56.99 3kjv s GLU 194 Cb -0.09 -2.25 0.72 0.00 0.02 0.00 0.00 34.13 32.52 3kjv s GLU 194 CO 0.18 -0.58 1.07 1.51 -1.84 0.00 0.00 175.26 175.60 3kjv n ILE 195 N -0.76 -0.29 1.55 1.83 3.06 -1.26 0.54 119.36 124.02 3kjv n ILE 195 Ca 0.09 1.44 0.14 0.00 -2.50 0.00 0.00 62.75 61.92 3kjv n ILE 195 Cb 0.50 -2.22 0.56 0.00 0.54 0.00 0.00 39.64 39.02 3kjv n ILE 195 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3kjv n GLY 196 N -1.26 -0.11 0.05 4.50 0.00 -1.26 0.86 105.19 107.97 3kjv n GLY 196 Ca 0.21 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.82 3kjv n GLY 196 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3kjv n GLN 197 N 0.05 0.80 0.14 1.61 7.27 0.19 -3.58 117.38 123.85 3kjv n GLN 197 Ca 0.19 -0.10 -0.11 0.00 0.07 0.00 0.00 57.00 57.06 3kjv n GLN 197 Cb 0.33 -1.47 -0.07 0.00 2.41 0.00 0.00 30.24 31.45 3kjv n GLN 197 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 3kjv h HIS 198 N 0.00 -0.38 -0.98 3.69 2.76 -1.21 -1.27 115.15 117.76 3kjv h HIS 198 Ca -0.23 -0.01 0.29 0.00 -2.20 0.00 0.00 60.37 58.22 3kjv h HIS 198 Cb 1.48 0.13 -0.18 0.00 1.55 0.00 0.00 27.41 30.38 3kjv h HIS 198 CO 0.00 -0.05 0.09 0.54 -1.30 0.00 0.00 177.93 177.21 3kjv n ARG 199 N -5.07 -0.08 -0.18 5.26 5.12 0.25 0.11 116.66 122.08 3kjv n ARG 199 Ca -0.08 1.44 0.11 0.00 -1.93 0.00 0.00 57.85 57.39 3kjv n ARG 199 Cb 0.26 -2.34 0.27 0.00 -1.16 0.00 0.00 32.46 29.49 3kjv n ARG 199 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3kjv n THR 200 N -5.42 0.46 -0.13 0.55 -1.04 -1.23 -3.14 114.28 104.33 3kjv n THR 200 Ca 0.25 -0.63 -0.23 0.00 -2.04 0.00 0.00 64.05 61.39 3kjv n THR 200 Cb 0.82 0.71 -0.11 0.00 -1.82 0.00 0.00 70.33 69.93 3kjv n THR 200 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3kjv n LYS 201 N 1.11 0.62 -0.03 -2.82 3.00 0.28 -3.86 118.16 116.46 3kjv n LYS 201 Ca 0.18 0.20 0.24 0.00 -0.00 0.00 0.00 58.31 58.93 3kjv n LYS 201 Cb 0.51 -1.51 0.69 0.00 0.00 0.00 0.00 35.03 34.72 3kjv n LYS 201 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 3kjv h ILE 202 N -0.45 0.32 0.35 3.15 1.08 0.70 -1.60 117.51 121.07 3kjv h ILE 202 Ca -0.64 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 63.82 3kjv h ILE 202 Cb 1.77 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 36.03 3kjv h ILE 202 CO -0.24 0.00 -0.17 -0.33 -0.69 0.00 0.00 178.15 176.72 3kjv h GLU 203 N 0.00 -0.46 -0.39 2.37 4.39 -1.69 -1.69 114.58 117.11 3kjv h GLU 203 Ca 0.30 0.03 0.11 0.00 0.34 0.00 0.00 59.36 60.15 3kjv h GLU 203 Cb 1.58 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 30.32 3kjv h GLU 203 CO -0.00 -0.25 0.61 1.49 -1.16 0.00 0.00 179.01 179.69 3kjv h GLU 204 N -1.09 0.00 0.03 2.33 4.81 -1.44 0.23 114.58 119.45 3kjv h GLU 204 Ca -0.05 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3kjv h GLU 204 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3kjv h GLU 204 CO 0.08 0.00 -0.01 1.25 -0.73 0.00 0.00 179.01 179.59 3kjv h LEU 205 N 0.00 -0.03 -0.75 1.64 6.46 -1.27 -2.38 115.31 118.97 3kjv h LEU 205 Ca 0.19 0.00 0.16 0.00 -0.12 0.00 0.00 57.88 58.11 3kjv h LEU 205 Cb 1.40 0.01 -0.14 0.00 -0.73 0.00 0.00 40.66 41.20 3kjv h LEU 205 CO -0.00 0.46 -0.07 0.03 -0.62 0.00 0.00 178.44 178.24 3kjv h ARG 206 N -1.01 0.06 -0.10 1.25 3.08 -0.06 1.10 114.38 118.70 3kjv h ARG 206 Ca -0.00 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3kjv h ARG 206 Cb 0.03 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3kjv h ARG 206 CO 0.01 0.04 0.06 0.37 -1.07 0.00 0.00 179.97 179.37 3kjv h GLN 207 N 0.06 0.13 0.35 0.04 5.75 -0.76 -1.34 115.11 119.34 3kjv h GLN 207 Ca 0.39 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.87 3kjv h GLN 207 Cb 0.67 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.19 3kjv h GLN 207 CO -0.70 0.09 -0.17 1.25 -2.65 0.00 0.00 178.83 176.65 3kjv h HIS 208 N 0.14 -0.43 -0.85 3.99 2.76 0.18 -1.99 115.15 118.94 3kjv h HIS 208 Ca 0.04 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.27 3kjv h HIS 208 Cb -0.00 0.14 -0.06 0.00 1.55 0.00 0.00 27.41 29.04 3kjv h HIS 208 CO 0.00 -0.17 0.55 -0.07 -1.30 0.00 0.00 177.93 176.95 3kjv h LEU 209 N -0.64 0.82 -0.35 0.26 -0.00 -0.81 -1.33 115.31 113.26 3kjv h LEU 209 Ca -0.05 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.83 3kjv h LEU 209 Cb 0.46 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.94 3kjv h LEU 209 CO 0.08 0.52 0.17 0.25 -0.00 0.00 0.00 178.44 179.46 3kjv h LEU 210 N 0.92 0.45 -2.52 1.67 7.12 -0.48 1.00 115.31 123.47 3kjv h LEU 210 Ca 0.37 -0.12 -0.00 0.00 0.13 0.00 0.00 57.88 58.26 3kjv h LEU 210 Cb 0.25 -0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 40.27 3kjv h LEU 210 CO -0.14 0.45 -0.01 -0.09 -0.13 0.00 0.00 178.44 178.52 3kjv h ARG 211 N 0.42 0.00 -0.08 1.25 1.12 -0.47 0.29 114.38 116.92 3kjv h ARG 211 Ca 0.12 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.99 3kjv h ARG 211 Cb 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.07 3kjv h ARG 211 CO -0.02 0.01 0.00 0.91 -3.11 0.00 0.00 179.97 177.76 3kjv n TRP 212 N -3.70 0.07 0.00 2.20 7.02 -0.60 -4.82 117.44 117.62 3kjv n TRP 212 Ca -0.03 -0.04 0.00 0.00 -1.02 0.00 0.00 57.50 56.41 3kjv n TRP 212 Cb 0.09 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.98 3kjv n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3kjv n GLY 213 N 1.15 1.05 3.41 6.99 0.00 0.10 -3.99 105.19 113.90 3kjv n GLY 213 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3kjv n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kjv s LEU 214 N 0.00 3.28 0.14 0.99 2.01 0.31 -4.39 118.68 121.02 3kjv s LEU 214 Ca 0.00 -0.25 -0.03 0.00 0.01 0.00 0.00 54.13 53.86 3kjv s LEU 214 Cb 0.00 -1.86 -0.05 0.00 0.01 0.00 0.00 46.19 44.29 3kjv s LEU 214 CO 0.00 -0.01 0.34 0.42 1.01 0.00 0.00 176.35 178.11 3kjv s THR 215 N 1.48 5.22 -0.46 5.49 -4.23 -1.26 -1.83 115.64 120.05 3kjv s THR 215 Ca 0.06 -0.13 0.03 0.00 -1.18 0.00 0.00 61.69 60.46 3kjv s THR 215 Cb -0.15 -3.65 0.12 0.00 1.34 0.00 0.00 72.50 70.17 3kjv s THR 215 CO 0.02 0.02 0.20 0.42 -0.54 0.00 0.00 174.62 174.74 3kjv s THR 216 N -1.67 2.17 0.00 3.99 -4.23 -1.26 0.58 115.64 115.22 3kjv s THR 216 Ca 0.39 -2.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.05 3kjv s THR 216 Cb -0.12 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.18 3kjv s THR 216 CO 0.26 -0.77 0.00 -0.81 -0.54 0.00 0.00 174.62 172.76 3kjv n PRO 217 N 3.52 0.98 -4.03 3.99 -0.04 -1.26 -4.93 135.00 133.24 3kjv n PRO 217 Ca 0.05 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.27 3kjv n PRO 217 Cb 0.35 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.64 3kjv n PRO 217 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kjv s ASP 218 N -1.95 1.68 0.00 3.54 1.11 -1.26 -3.63 116.67 116.16 3kjv s ASP 218 Ca 0.00 -0.21 0.00 0.00 0.18 0.00 0.00 52.55 52.52 3kjv s ASP 218 Cb 0.00 -0.65 0.00 0.00 1.07 0.00 0.00 42.92 43.34 3kjv s ASP 218 CO 0.00 -0.10 0.00 0.29 1.18 0.00 0.00 175.17 176.54 3kjv n LYS 219 N 4.62 -0.04 -2.74 8.23 5.02 -1.26 -5.06 118.16 126.92 3kjv n LYS 219 Ca -0.15 0.01 -0.38 0.00 -2.02 0.00 0.00 58.31 55.77 3kjv n LYS 219 Cb 0.50 -3.05 0.00 0.00 -0.02 0.00 0.00 35.03 32.47 3kjv n LYS 219 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3kjv n LYS 220 N -2.00 4.85 -0.20 1.97 4.81 -1.24 -3.67 118.16 122.69 3kjv n LYS 220 Ca 0.00 -4.71 -0.08 0.00 -0.87 0.00 0.00 58.31 52.65 3kjv n LYS 220 Cb 0.01 -2.41 -0.01 0.00 0.02 0.00 0.00 35.03 32.63 3kjv n LYS 220 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3kjv n HIS 221 N -0.02 0.19 0.00 5.64 8.25 -1.14 -4.86 115.22 123.27 3kjv n HIS 221 Ca 0.42 0.13 0.00 0.00 -0.26 0.00 0.00 57.72 58.01 3kjv n HIS 221 Cb 0.30 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.12 3kjv n HIS 221 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3kjv n GLN 222 N 0.72 0.00 -1.09 -0.41 7.27 -1.26 -3.50 117.38 119.11 3kjv n GLN 222 Ca 0.05 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.72 3kjv n GLN 222 Cb -0.01 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 32.59 3kjv n GLN 222 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 3kjv n LYS 223 N 0.00 1.59 -0.93 3.69 0.00 -1.26 -4.33 118.16 116.93 3kjv n LYS 223 Ca 0.00 -1.79 0.01 0.00 0.00 0.00 0.00 58.31 56.54 3kjv n LYS 223 Cb 0.00 -2.85 0.01 0.00 0.00 0.00 0.00 35.03 32.19 3kjv n LYS 223 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3kjv n GLU 224 N 6.57 0.00 -1.57 1.64 2.13 -1.26 -5.05 120.64 123.10 3kjv n GLU 224 Ca 0.49 -1.38 -0.51 0.00 0.66 0.00 0.00 57.16 56.42 3kjv n GLU 224 Cb 0.36 -0.24 -0.05 0.00 0.27 0.00 0.00 31.44 31.78 3kjv n GLU 224 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3kjv n PRO 225 N 0.21 1.03 -2.30 5.31 -0.02 -1.26 -3.23 135.00 134.73 3kjv n PRO 225 Ca 0.02 0.37 -0.43 0.00 -2.02 0.00 0.00 63.50 61.44 3kjv n PRO 225 Cb 0.88 -1.91 -0.02 0.00 -0.02 0.00 0.00 33.50 32.43 3kjv n PRO 225 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3kjv s PRO 226 N -0.04 3.83 0.41 0.52 0.04 -1.26 -5.06 135.00 133.44 3kjv s PRO 226 Ca 0.79 1.37 -0.25 0.00 0.04 0.00 0.00 61.00 62.94 3kjv s PRO 226 Cb -0.93 -3.95 -0.10 0.00 0.04 0.00 0.00 34.50 29.56 3kjv s PRO 226 CO 0.51 -1.24 1.23 1.19 0.04 0.00 0.00 177.00 178.72 3kjv n PHE 227 N 8.08 1.97 -3.91 0.56 0.99 -1.20 -4.87 117.46 119.09 3kjv n PHE 227 Ca 0.16 0.52 -0.36 0.00 -0.00 0.00 0.00 57.45 57.78 3kjv n PHE 227 Cb 0.46 -2.35 -0.08 0.00 -1.00 0.00 0.00 39.48 36.51 3kjv n PHE 227 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3kjv s LEU 228 N -1.42 4.13 -0.30 4.37 1.02 -1.26 -2.12 118.68 123.10 3kjv s LEU 228 Ca 0.61 0.28 -0.15 0.00 0.02 0.00 0.00 54.13 54.89 3kjv s LEU 228 Cb -0.52 -2.03 0.16 0.00 0.02 0.00 0.00 46.19 43.81 3kjv s LEU 228 CO 0.58 0.28 0.94 0.86 0.02 0.00 0.00 176.35 179.03 3kjv s TRP 229 N -0.27 -0.75 -0.88 0.29 -0.00 -1.26 -4.98 118.94 111.09 3kjv s TRP 229 Ca 0.10 1.33 0.00 0.00 -0.00 0.00 0.00 56.10 57.53 3kjv s TRP 229 Cb -0.12 0.45 0.00 0.00 -0.00 0.00 0.00 33.47 33.80 3kjv s TRP 229 CO 0.01 -0.37 0.00 -0.12 -0.00 0.00 0.00 176.95 176.47 3kjv n MET 230 N 4.83 -0.89 0.00 5.86 1.56 -1.26 -1.75 117.12 125.46 3kjv n MET 230 Ca -0.11 0.73 0.00 0.00 -0.27 0.00 0.00 57.70 58.05 3kjv n MET 230 Cb 0.53 -4.67 0.00 0.00 2.15 0.00 0.00 33.22 31.22 3kjv n MET 230 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3kjv n GLY 231 N -1.34 0.36 0.00 -5.12 0.00 -1.26 -5.05 105.19 92.78 3kjv n GLY 231 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3kjv n GLY 231 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kjv n TYR 232 N -1.93 0.00 -2.81 1.61 4.01 -0.72 -3.10 117.16 114.23 3kjv n TYR 232 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 3kjv n TYR 232 Cb 0.00 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.09 3kjv n TYR 232 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 3kjv n GLU 233 N 0.00 0.94 -0.87 -0.72 2.13 -0.72 -4.06 120.64 117.35 3kjv n GLU 233 Ca 0.00 -2.10 -0.34 0.00 0.66 0.00 0.00 57.16 55.38 3kjv n GLU 233 Cb 0.00 -1.22 0.09 0.00 0.27 0.00 0.00 31.44 30.58 3kjv n GLU 233 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3kjv n LEU 234 N 0.71 -2.35 -4.27 4.31 4.77 -0.90 -3.84 117.00 115.42 3kjv n LEU 234 Ca 0.09 0.27 -0.19 0.00 -0.03 0.00 0.00 56.01 56.16 3kjv n LEU 234 Cb 0.67 -1.04 -0.08 0.00 -2.33 0.00 0.00 43.42 40.64 3kjv n LEU 234 CO 0.06 -4.52 -0.10 -1.00 -1.33 0.00 0.00 177.39 170.51 3kjv s HIS 235 N -2.25 1.69 0.29 -1.77 3.76 -0.09 -3.52 115.29 113.39 3kjv s HIS 235 Ca 0.51 -1.63 0.00 0.00 -0.15 0.00 0.00 55.06 53.79 3kjv s HIS 235 Cb -0.20 -0.67 0.45 0.00 1.11 0.00 0.00 32.58 33.28 3kjv s HIS 235 CO 0.73 -0.88 1.83 -1.35 -0.85 0.00 0.00 174.74 174.23 3kjv h PRO 236 N 2.16 0.73 0.00 8.40 0.11 -1.97 -3.39 132.00 138.05 3kjv h PRO 236 Ca -0.26 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3kjv h PRO 236 Cb 1.23 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3kjv h PRO 236 CO 0.37 0.69 -0.82 -0.25 -0.21 0.00 0.00 178.00 177.79 3kjv n ASP 237 N -4.27 4.09 -0.35 -2.05 9.92 -1.26 -5.04 116.55 117.58 3kjv n ASP 237 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 3kjv n ASP 237 Cb 0.24 0.72 0.00 0.00 -0.64 0.00 0.00 41.12 41.44 3kjv n ASP 237 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 3kjv n LYS 238 N -1.34 2.19 -3.54 -1.24 0.00 -1.26 -4.43 118.16 108.54 3kjv n LYS 238 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 3kjv n LYS 238 Cb 0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.08 3kjv n LYS 238 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.40 179.07 3kjv s TRP 239 N -0.12 -0.42 0.09 5.58 1.48 -1.11 -0.92 118.94 123.53 3kjv s TRP 239 Ca 0.00 0.57 -0.14 0.00 -1.06 0.00 0.00 56.10 55.46 3kjv s TRP 239 Cb 0.00 0.48 0.03 0.00 -1.16 0.00 0.00 33.47 32.81 3kjv s TRP 239 CO 0.00 -0.47 0.34 -0.08 -4.06 0.00 0.00 176.95 172.69 3kjv s THR 240 N -1.85 0.09 0.07 0.66 -1.32 -1.25 -0.66 115.64 111.37 3kjv s THR 240 Ca -0.01 -0.70 -0.30 0.00 -1.21 0.00 0.00 61.69 59.46 3kjv s THR 240 Cb -0.01 -1.14 -0.06 0.00 -1.51 0.00 0.00 72.50 69.79 3kjv s THR 240 CO -0.01 -0.39 1.15 0.54 -2.21 0.00 0.00 174.62 173.70 3kjv s VAL 241 N -3.42 4.13 0.05 5.08 0.11 -1.26 -1.75 120.40 123.33 3kjv s VAL 241 Ca 0.01 1.58 -0.35 0.00 -2.93 0.00 0.00 61.98 60.28 3kjv s VAL 241 Cb 0.02 -4.01 -0.14 0.00 -1.53 0.00 0.00 36.38 30.71 3kjv s VAL 241 CO -0.09 0.15 1.58 0.00 -3.33 0.00 0.00 175.10 173.41 3kjv n GLN 242 N 3.64 1.78 -1.53 1.54 6.02 -1.18 -4.72 117.38 122.93 3kjv n GLN 242 Ca 0.07 0.65 -0.42 0.00 -0.01 0.00 0.00 57.00 57.29 3kjv n GLN 242 Cb 0.47 -2.39 0.01 0.00 1.02 0.00 0.00 30.24 29.35 3kjv n GLN 242 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3kjv n PRO 243 N 3.94 0.94 -4.45 -1.09 -0.02 -1.26 -4.96 135.00 128.09 3kjv n PRO 243 Ca 0.19 0.34 -0.34 0.00 -2.02 0.00 0.00 63.50 61.67 3kjv n PRO 243 Cb 0.25 -1.76 -0.13 0.00 -0.02 0.00 0.00 33.50 31.84 3kjv n PRO 243 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kjv s ILE 244 N -1.35 3.56 -0.16 4.25 -1.09 -1.26 -5.10 121.20 120.05 3kjv s ILE 244 Ca 0.63 -0.47 -0.03 0.00 -2.23 0.00 0.00 60.65 58.55 3kjv s ILE 244 Cb -0.59 -2.55 -0.02 0.00 -1.58 0.00 0.00 42.46 37.71 3kjv s ILE 244 CO 0.57 0.49 -0.05 -0.69 -1.23 0.00 0.00 174.94 174.04 3kjv s VAL 245 N 0.52 3.73 0.03 2.92 1.01 -1.26 -5.07 120.40 122.27 3kjv s VAL 245 Ca -0.05 -0.41 -0.28 0.00 0.00 0.00 0.00 61.98 61.24 3kjv s VAL 245 Cb -0.15 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3kjv s VAL 245 CO 0.03 0.48 0.88 -0.76 0.00 0.00 0.00 175.10 175.73 3kjv s LEU 246 N 0.56 4.41 -0.98 3.92 2.01 -1.26 -4.93 118.68 122.41 3kjv s LEU 246 Ca -0.03 1.57 -0.25 0.00 0.01 0.00 0.00 54.13 55.42 3kjv s LEU 246 Cb -0.14 -3.41 -0.21 0.00 0.01 0.00 0.00 46.19 42.43 3kjv s LEU 246 CO 0.03 -0.12 2.07 -2.65 1.01 0.00 0.00 176.35 176.68 3kjv n PRO 247 N 3.35 0.13 -0.91 1.29 -0.02 -1.26 -4.79 135.00 132.79 3kjv n PRO 247 Ca 0.02 -1.48 -0.10 0.00 -2.02 0.00 0.00 63.50 59.92 3kjv n PRO 247 Cb 0.50 -3.69 -0.14 0.00 -0.02 0.00 0.00 33.50 30.15 3kjv n PRO 247 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3kjv n GLU 248 N 7.92 1.81 -2.74 -0.52 -0.00 -1.26 -4.88 120.64 120.97 3kjv n GLU 248 Ca 0.39 -0.85 -0.43 0.00 -0.00 0.00 0.00 57.16 56.27 3kjv n GLU 248 Cb 0.46 -1.87 -0.04 0.00 -0.00 0.00 0.00 31.44 30.00 3kjv n GLU 248 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3kjv s LYS 249 N 0.96 3.39 0.56 3.44 -0.14 -1.26 -4.91 119.74 121.78 3kjv s LYS 249 Ca 0.57 -0.08 0.28 0.00 -1.36 0.00 0.00 55.97 55.38 3kjv s LYS 249 Cb 0.27 -4.04 1.46 0.00 -1.68 0.00 0.00 37.83 33.84 3kjv s LYS 249 CO 0.00 -1.57 1.94 -0.44 -0.76 0.00 0.00 175.35 174.52 3kjv h ASP 250 N 9.41 0.00 -2.76 2.83 3.32 -2.03 -3.35 116.42 123.83 3kjv h ASP 250 Ca -0.26 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.21 3kjv h ASP 250 Cb 1.07 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.53 3kjv h ASP 250 CO 1.13 0.00 -0.61 -0.55 -1.72 0.00 0.00 179.24 177.49 3kjv s SER 251 N -5.69 5.18 -0.05 6.45 0.15 -1.26 -5.08 113.70 113.40 3kjv s SER 251 Ca -0.05 -0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.37 3kjv s SER 251 Cb 0.18 -1.25 0.01 0.00 -1.71 0.00 0.00 66.02 63.26 3kjv s SER 251 CO 0.67 0.07 -0.09 0.26 1.20 0.00 0.00 173.24 175.35 3kjv s TRP 252 N -1.76 1.13 0.37 3.44 0.51 -1.26 -5.07 118.94 116.32 3kjv s TRP 252 Ca 0.29 -0.37 0.08 0.00 -2.12 0.00 0.00 56.10 53.98 3kjv s TRP 252 Cb -0.10 -0.86 -0.05 0.00 -0.81 0.00 0.00 33.47 31.65 3kjv s TRP 252 CO 0.21 -0.21 0.15 0.95 -0.51 0.00 0.00 176.95 177.54 3kjv s THR 253 N 0.64 2.63 0.00 2.01 -4.23 -1.26 -0.65 115.64 114.79 3kjv s THR 253 Ca -0.12 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 3kjv s THR 253 Cb -0.14 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.74 3kjv s THR 253 CO 0.02 -0.10 0.16 0.52 -0.54 0.00 0.00 174.62 174.68 3kjv n VAL 254 N -1.17 0.00 -0.54 2.29 0.31 -1.11 -0.11 118.33 118.00 3kjv n VAL 254 Ca -0.02 0.66 0.45 0.00 -0.01 0.00 0.00 64.34 65.41 3kjv n VAL 254 Cb 0.63 -1.19 0.69 0.00 -0.91 0.00 0.00 33.84 33.06 3kjv n VAL 254 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3kjv n ASN 255 N -0.30 0.00 -0.06 4.52 2.85 -1.05 0.47 115.26 121.69 3kjv n ASN 255 Ca 0.00 0.91 -0.03 0.00 -0.11 0.00 0.00 54.58 55.35 3kjv n ASN 255 Cb 0.00 -0.41 0.20 0.00 1.24 0.00 0.00 39.78 40.81 3kjv n ASN 255 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 3kjv h ASP 256 N 0.00 0.65 0.19 1.20 -0.00 -0.83 -2.38 116.42 115.25 3kjv h ASP 256 Ca 0.79 -0.16 -0.35 0.00 -0.00 0.00 0.00 57.03 57.31 3kjv h ASP 256 Cb 3.49 -0.17 0.01 0.00 -0.00 0.00 0.00 39.33 42.66 3kjv h ASP 256 CO -0.01 0.74 -1.74 -0.29 -0.00 0.00 0.00 179.24 177.95 3kjv h ILE 257 N 0.63 0.95 -0.93 2.25 6.09 1.31 -3.23 117.51 124.59 3kjv h ILE 257 Ca 0.12 -2.52 0.19 0.00 -1.37 0.00 0.00 64.86 61.29 3kjv h ILE 257 Cb 0.45 2.78 -0.08 0.00 0.47 0.00 0.00 36.82 40.44 3kjv h ILE 257 CO 0.02 0.86 0.60 0.00 -3.07 0.00 0.00 178.15 176.56 3kjv h LYS 259 N 0.55 0.37 0.19 0.00 1.79 -1.44 -2.52 116.57 115.50 3kjv h LYS 259 Ca 0.49 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.93 3kjv h LYS 259 Cb 1.03 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 3kjv h LYS 259 CO -0.23 0.24 -0.09 1.25 -1.08 0.00 0.00 179.45 179.54 3kjv h LEU 260 N 0.38 -0.22 -0.91 2.94 6.46 0.16 -2.95 115.31 121.17 3kjv h LEU 260 Ca 0.56 0.01 0.22 0.00 -0.12 0.00 0.00 57.88 58.55 3kjv h LEU 260 Cb 1.08 0.06 -0.12 0.00 -0.73 0.00 0.00 40.66 40.94 3kjv h LEU 260 CO -0.54 0.09 0.43 1.62 -0.62 0.00 0.00 178.44 179.42 3kjv h VAL 261 N -0.75 0.51 -0.68 1.05 3.04 -1.34 0.18 116.25 118.25 3kjv h VAL 261 Ca -0.03 -0.15 -0.02 0.00 -1.01 0.00 0.00 66.70 65.49 3kjv h VAL 261 Cb 0.20 0.02 -0.03 0.00 -2.01 0.00 0.00 31.29 29.46 3kjv h VAL 261 CO 0.04 0.08 0.34 1.23 -1.01 0.00 0.00 177.57 178.25 3kjv h GLY 262 N 0.45 1.04 1.40 3.17 0.00 -1.55 0.45 103.07 108.02 3kjv h GLY 262 Ca 0.57 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 3kjv h GLY 262 CO -0.51 0.48 0.22 0.50 0.00 0.00 0.00 176.54 177.23 3kjv h LYS 263 N 0.94 0.78 -0.10 4.80 1.79 -0.58 -1.73 116.57 122.47 3kjv h LYS 263 Ca 0.23 -0.11 -0.06 0.00 -2.18 0.00 0.00 60.65 58.53 3kjv h LYS 263 Cb 0.10 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 3kjv h LYS 263 CO -0.03 0.64 -0.18 -0.07 -1.08 0.00 0.00 179.45 178.73 3kjv h LEU 264 N 0.77 0.33 -1.00 2.94 4.07 0.15 0.45 115.31 123.02 3kjv h LEU 264 Ca 0.19 -0.55 -0.04 0.00 0.08 0.00 0.00 57.88 57.56 3kjv h LEU 264 Cb 0.15 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 3kjv h LEU 264 CO -0.02 0.81 0.26 0.78 -1.08 0.00 0.00 178.44 179.19 3kjv h ASN 265 N -0.14 0.90 -0.20 -0.43 2.35 -0.10 1.11 115.58 119.06 3kjv h ASN 265 Ca 0.01 -0.13 -0.09 0.00 -0.55 0.00 0.00 56.30 55.54 3kjv h ASN 265 Cb 0.75 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 3kjv h ASN 265 CO 0.04 0.81 -0.15 -0.25 -1.65 0.00 0.00 177.43 176.23 3kjv h TRP 266 N 0.96 0.66 -0.62 1.19 2.91 -1.25 -2.85 115.95 116.94 3kjv h TRP 266 Ca 0.22 -0.12 -0.10 0.00 1.13 0.00 0.00 58.89 60.03 3kjv h TRP 266 Cb 0.20 -0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 28.65 3kjv h TRP 266 CO 0.02 0.72 0.02 0.00 -1.03 0.00 0.00 178.44 178.16 3kjv h ALA 267 N 1.30 0.84 0.00 2.65 0.00 0.27 -3.22 119.26 121.10 3kjv h ALA 267 Ca 0.09 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3kjv h ALA 267 Cb 0.57 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kjv h ALA 267 CO 0.04 0.67 0.00 -1.13 0.00 0.00 0.00 179.25 178.83 3kjv n SER 268 N -4.19 0.17 -0.07 0.00 3.41 0.35 -2.36 113.62 110.94 3kjv n SER 268 Ca 0.03 -1.65 0.12 0.00 -0.26 0.00 0.00 58.87 57.11 3kjv n SER 268 Cb 0.34 -0.09 0.18 0.00 -0.26 0.00 0.00 64.21 64.39 3kjv n SER 268 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kjv n GLN 269 N -0.38 0.21 0.00 4.33 10.64 -1.22 -3.49 117.38 127.48 3kjv n GLN 269 Ca 0.00 -0.14 0.00 0.00 -1.83 0.00 0.00 57.00 55.03 3kjv n GLN 269 Cb 0.04 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 27.93 3kjv n GLN 269 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.06 176.74 3kjv n ILE 270 N -1.27 0.00 -3.00 -0.39 0.13 -1.00 -2.21 119.36 111.62 3kjv n ILE 270 Ca 0.07 0.00 -0.43 0.00 -1.10 0.00 0.00 62.75 61.28 3kjv n ILE 270 Cb 0.34 0.00 -0.05 0.00 -0.84 0.00 0.00 39.64 39.09 3kjv n ILE 270 CO 0.00 0.00 0.00 -0.31 2.80 0.00 0.00 176.55 179.04 3kjv s TYR 271 N -0.96 2.89 0.78 9.51 2.02 -1.03 -4.79 117.35 125.76 3kjv s TYR 271 Ca 0.00 -0.47 -0.12 0.00 -0.37 0.00 0.00 57.07 56.11 3kjv s TYR 271 Cb 0.00 -3.92 0.06 0.00 -0.40 0.00 0.00 41.96 37.70 3kjv s TYR 271 CO 0.00 -1.30 1.14 -2.14 -1.57 0.00 0.00 175.55 171.68 3kjv s PRO 272 N 3.31 2.01 0.00 -1.71 0.02 -1.26 -3.58 135.00 133.79 3kjv s PRO 272 Ca 0.20 1.46 0.00 0.00 0.02 0.00 0.00 61.00 62.69 3kjv s PRO 272 Cb -0.18 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.50 3kjv s PRO 272 CO 0.13 -1.88 0.00 0.41 -0.33 0.00 0.00 177.00 175.33 3kjv n GLY 273 N -0.29 3.18 3.62 0.52 0.00 -1.26 -5.01 105.19 105.95 3kjv n GLY 273 Ca 0.11 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.64 3kjv n GLY 273 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kjv n ILE 274 N -0.88 0.00 -3.87 -0.61 2.08 -1.23 -4.97 119.36 109.88 3kjv n ILE 274 Ca 0.00 -0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.19 3kjv n ILE 274 Cb 0.00 -1.12 -0.12 0.00 -0.75 0.00 0.00 39.64 37.65 3kjv n ILE 274 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 3kjv s LYS 275 N 0.69 0.21 -0.31 0.38 -2.85 -1.26 -4.91 119.74 111.69 3kjv s LYS 275 Ca 0.82 -0.08 0.19 0.00 -1.00 0.00 0.00 55.97 55.90 3kjv s LYS 275 Cb -0.84 0.09 0.47 0.00 -2.06 0.00 0.00 37.83 35.48 3kjv s LYS 275 CO 0.43 -0.04 1.07 1.33 0.10 0.00 0.00 175.35 178.25 3kjv n VAL 276 N 2.52 0.93 -0.00 1.79 0.24 -1.26 -4.92 118.33 117.63 3kjv n VAL 276 Ca -0.16 -2.75 -0.17 0.00 -2.04 0.00 0.00 64.34 59.21 3kjv n VAL 276 Cb 0.58 0.92 -0.10 0.00 -1.47 0.00 0.00 33.84 33.78 3kjv n VAL 276 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3kjv h ARG 277 N 2.67 0.52 0.08 7.34 9.65 -1.98 -3.33 114.38 129.33 3kjv h ARG 277 Ca -0.15 -0.50 -0.33 0.00 -1.10 0.00 0.00 59.98 57.90 3kjv h ARG 277 Cb 1.23 0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.90 3kjv h ARG 277 CO 0.31 1.13 -1.86 1.96 2.80 0.00 0.00 179.97 184.30 3kjv h GLN 278 N 0.10 0.17 -0.90 0.20 1.08 -1.91 -3.03 115.11 110.82 3kjv h GLN 278 Ca -0.07 -0.29 0.25 0.00 -1.45 0.00 0.00 58.65 57.10 3kjv h GLN 278 Cb 1.32 0.11 -0.14 0.00 -0.05 0.00 0.00 27.48 28.71 3kjv h GLN 278 CO 0.13 0.94 0.30 -0.07 -0.95 0.00 0.00 178.83 179.18 3kjv h LEU 279 N 0.05 0.10 -2.21 1.46 -0.00 -1.86 -3.28 115.31 109.56 3kjv h LEU 279 Ca -0.36 0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 3kjv h LEU 279 Cb 2.03 0.24 0.00 0.00 -0.00 0.00 0.00 40.66 42.93 3kjv h LEU 279 CO 0.09 -0.15 0.00 -1.20 -0.00 0.00 0.00 178.44 177.18 3kjv n SER 280 N -5.19 2.73 -0.92 -0.43 7.64 -1.19 -2.94 113.62 113.32 3kjv n SER 280 Ca 0.23 -1.81 0.10 0.00 1.01 0.00 0.00 58.87 58.41 3kjv n SER 280 Cb 0.74 -0.15 0.27 0.00 -1.01 0.00 0.00 64.21 64.05 3kjv n SER 280 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 3kjv n LYS 281 N 0.83 2.19 0.11 1.43 2.85 -1.15 -4.22 118.16 120.21 3kjv n LYS 281 Ca 0.12 -1.82 -0.03 0.00 -1.05 0.00 0.00 58.31 55.54 3kjv n LYS 281 Cb 0.42 -1.45 0.08 0.00 -0.65 0.00 0.00 35.03 33.44 3kjv n LYS 281 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 3kjv h LEU 282 N 3.35 0.00 -0.58 -5.58 4.07 -1.69 -2.74 115.31 112.13 3kjv h LEU 282 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3kjv h LEU 282 Cb 0.75 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.49 3kjv h LEU 282 CO 0.00 0.73 0.00 0.18 -1.08 0.00 0.00 178.44 178.27 3kjv n LEU 283 N -3.64 0.71 -4.69 1.67 7.99 -1.26 -4.81 117.00 112.97 3kjv n LEU 283 Ca -0.01 0.65 -0.44 0.00 -0.01 0.00 0.00 56.01 56.20 3kjv n LEU 283 Cb 0.72 -0.53 -0.04 0.00 -0.11 0.00 0.00 43.42 43.46 3kjv n LEU 283 CO 0.43 -0.50 1.28 0.54 -1.51 0.00 0.00 177.39 177.63 3kjv n ARG 284 N -2.26 2.42 0.00 3.23 5.12 -1.04 -2.59 116.66 121.55 3kjv n ARG 284 Ca 0.03 0.87 0.00 0.00 -1.93 0.00 0.00 57.85 56.82 3kjv n ARG 284 Cb 0.27 -2.68 0.00 0.00 -1.16 0.00 0.00 32.46 28.89 3kjv n ARG 284 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kjv n GLY 285 N 3.67 2.25 3.38 -0.13 0.00 -1.26 -5.01 105.19 108.08 3kjv n GLY 285 Ca 0.17 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 3kjv n GLY 285 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kjv n THR 286 N 0.00 1.30 0.06 2.61 -2.24 -1.07 -4.93 114.28 110.02 3kjv n THR 286 Ca 0.00 -0.44 0.01 0.00 -2.27 0.00 0.00 64.05 61.35 3kjv n THR 286 Cb 0.00 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 3kjv n THR 286 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3kjv n LYS 287 N 0.10 0.42 -4.37 -0.78 4.81 -1.26 -5.04 118.16 112.04 3kjv n LYS 287 Ca 0.09 -0.49 -0.25 0.00 -0.87 0.00 0.00 58.31 56.78 3kjv n LYS 287 Cb 0.50 -0.95 -0.10 0.00 0.02 0.00 0.00 35.03 34.50 3kjv n LYS 287 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kjv s ALA 288 N -0.29 2.84 -0.06 3.14 0.00 -1.26 -5.04 121.76 121.09 3kjv s ALA 288 Ca 0.02 -1.66 0.14 0.00 0.00 0.00 0.00 51.96 50.46 3kjv s ALA 288 Cb 0.01 -0.52 -0.21 0.00 0.00 0.00 0.00 23.12 22.40 3kjv s ALA 288 CO 0.03 0.37 0.23 1.28 0.00 0.00 0.00 175.76 177.66 3kjv n LEU 289 N -0.27 0.00 -0.00 0.00 4.77 -1.26 -4.56 117.00 115.68 3kjv n LEU 289 Ca -0.09 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 55.95 3kjv n LEU 289 Cb 0.57 0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.71 3kjv n LEU 289 CO 0.36 0.12 -0.29 0.35 -1.33 0.00 0.00 177.39 176.60 3kjv n THR 290 N -2.19 0.00 -1.63 -5.08 -2.24 -1.26 -2.54 114.28 99.33 3kjv n THR 290 Ca -0.10 -0.25 -0.54 0.00 -2.27 0.00 0.00 64.05 60.89 3kjv n THR 290 Cb 0.59 0.67 -0.07 0.00 -2.10 0.00 0.00 70.33 69.43 3kjv n THR 290 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3kjv n GLU 291 N -1.53 1.09 -1.67 -0.78 2.13 -1.26 -4.28 120.64 114.35 3kjv n GLU 291 Ca 0.00 0.40 -0.36 0.00 0.66 0.00 0.00 57.16 57.86 3kjv n GLU 291 Cb 0.22 -2.05 0.07 0.00 0.27 0.00 0.00 31.44 29.96 3kjv n GLU 291 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3kjv s VAL 292 N 1.59 2.14 -0.11 6.31 0.11 -1.26 -2.74 120.40 126.44 3kjv s VAL 292 Ca 0.90 0.08 -0.00 0.00 -2.93 0.00 0.00 61.98 60.03 3kjv s VAL 292 Cb -1.02 -2.93 0.02 0.00 -1.53 0.00 0.00 36.38 30.93 3kjv s VAL 292 CO 0.54 -0.02 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.58 3kjv s ILE 293 N -1.58 1.05 -0.25 7.04 -1.09 0.18 -4.84 121.20 121.71 3kjv s ILE 293 Ca 0.80 -0.32 -0.28 0.00 -2.23 0.00 0.00 60.65 58.62 3kjv s ILE 293 Cb -0.35 -1.06 -0.03 0.00 -1.58 0.00 0.00 42.46 39.44 3kjv s ILE 293 CO 0.41 0.37 1.90 -2.84 -1.23 0.00 0.00 174.94 173.55 3kjv s PRO 294 N 1.59 3.41 -0.32 2.79 0.02 -1.26 -4.48 135.00 136.74 3kjv s PRO 294 Ca 0.03 1.73 -0.37 0.00 0.02 0.00 0.00 61.00 62.41 3kjv s PRO 294 Cb -0.13 -4.22 -0.13 0.00 0.02 0.00 0.00 34.50 30.04 3kjv s PRO 294 CO -0.07 -1.77 2.05 -0.11 -0.33 0.00 0.00 177.00 176.77 3kjv n LEU 295 N 10.20 2.22 -4.80 -5.54 7.94 -1.26 -4.91 117.00 120.86 3kjv n LEU 295 Ca 0.24 0.64 -0.33 0.00 -1.11 0.00 0.00 56.01 55.45 3kjv n LEU 295 Cb 0.46 -1.22 0.00 0.00 0.53 0.00 0.00 43.42 43.19 3kjv n LEU 295 CO 0.67 -0.60 0.72 -0.89 -1.11 0.00 0.00 177.39 176.19 3kjv s THR 296 N 6.02 3.74 0.07 1.96 2.01 -1.26 -4.71 115.64 123.47 3kjv s THR 296 Ca 1.06 0.89 -0.33 0.00 0.31 0.00 0.00 61.69 63.62 3kjv s THR 296 Cb -0.94 -3.38 -0.17 0.00 0.01 0.00 0.00 72.50 68.03 3kjv s THR 296 CO 0.55 -0.43 1.50 -0.08 -0.69 0.00 0.00 174.62 175.47 3kjv h GLU 297 N 0.68 -0.98 0.00 4.92 4.81 -1.99 1.29 114.58 123.32 3kjv h GLU 297 Ca -0.48 0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 3kjv h GLU 297 Cb 1.22 0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.82 3kjv h GLU 297 CO 0.58 -0.65 -0.07 0.93 -0.73 0.00 0.00 179.01 179.06 3kjv h GLU 298 N -1.02 0.00 0.39 1.92 3.07 -1.98 -1.18 114.58 115.78 3kjv h GLU 298 Ca -0.08 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.76 3kjv h GLU 298 Cb 0.84 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 3kjv h GLU 298 CO 0.03 0.07 -0.19 0.00 -1.40 0.00 0.00 179.01 177.52 3kjv h ALA 299 N 1.93 -0.65 -0.92 3.43 0.00 -1.35 -1.39 119.26 120.30 3kjv h ALA 299 Ca -0.00 -0.12 0.22 0.00 0.00 0.00 0.00 54.91 55.01 3kjv h ALA 299 Cb 0.18 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 18.06 3kjv h ALA 299 CO 0.01 -0.62 0.45 1.49 0.00 0.00 0.00 179.25 180.58 3kjv h GLU 300 N -0.89 0.45 -0.37 0.00 4.81 0.18 1.42 114.58 120.18 3kjv h GLU 300 Ca -0.05 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 3kjv h GLU 300 Cb 0.40 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 3kjv h GLU 300 CO 0.09 0.30 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.51 3kjv h LEU 301 N 0.46 0.61 -0.02 1.64 3.38 -1.28 0.63 115.31 120.73 3kjv h LEU 301 Ca 0.57 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.32 3kjv h LEU 301 Cb 1.07 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3kjv h LEU 301 CO -0.50 0.73 -0.25 -0.08 0.09 0.00 0.00 178.44 178.43 3kjv h GLU 302 N 0.58 0.21 -0.71 1.13 4.81 0.18 -3.04 114.58 117.74 3kjv h GLU 302 Ca 0.11 -0.19 0.12 0.00 -0.13 0.00 0.00 59.36 59.27 3kjv h GLU 302 Cb 0.49 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.83 3kjv h GLU 302 CO 0.03 0.89 0.27 1.25 -0.73 0.00 0.00 179.01 180.72 3kjv h LEU 303 N -0.40 0.25 -0.72 1.64 5.85 0.16 0.11 115.31 122.20 3kjv h LEU 303 Ca -0.03 0.10 0.14 0.00 0.84 0.00 0.00 57.88 58.94 3kjv h LEU 303 Cb 0.96 0.08 -0.14 0.00 0.37 0.00 0.00 40.66 41.94 3kjv h LEU 303 CO 0.05 0.11 -0.20 0.00 -0.34 0.00 0.00 178.44 178.07 3kjv h ALA 304 N 1.51 0.43 -0.92 1.25 0.00 -0.83 -2.19 119.26 118.51 3kjv h ALA 304 Ca 0.38 0.27 0.02 0.00 0.00 0.00 0.00 54.91 55.58 3kjv h ALA 304 Cb 0.54 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 3kjv h ALA 304 CO -0.37 -0.44 0.60 1.49 0.00 0.00 0.00 179.25 180.53 3kjv h GLU 305 N -0.02 1.16 -0.04 0.00 4.57 -0.67 -3.07 114.58 116.52 3kjv h GLU 305 Ca 0.34 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.44 3kjv h GLU 305 Cb 0.53 -0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 28.86 3kjv h GLU 305 CO -0.75 0.77 -0.02 -0.91 -1.18 0.00 0.00 179.01 176.93 3kjv h ASN 306 N 1.20 0.08 -0.45 1.04 4.21 -1.27 -2.55 115.58 117.83 3kjv h ASN 306 Ca 0.35 -0.41 0.13 0.00 1.21 0.00 0.00 56.30 57.58 3kjv h ASN 306 Cb -0.06 -0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.10 3kjv h ASN 306 CO -0.09 0.47 0.35 -0.09 -1.29 0.00 0.00 177.43 176.77 3kjv h ARG 307 N -0.32 0.00 -0.47 0.81 2.43 -1.54 0.55 114.38 115.85 3kjv h ARG 307 Ca 0.01 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 3kjv h ARG 307 Cb 0.44 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 3kjv h ARG 307 CO 0.00 0.00 0.21 0.93 -1.51 0.00 0.00 179.97 179.61 3kjv h GLU 308 N 0.00 0.41 -0.10 0.20 4.39 -1.44 -3.17 114.58 114.89 3kjv h GLU 308 Ca 0.21 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 3kjv h GLU 308 Cb 0.91 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.46 3kjv h GLU 308 CO -0.00 0.27 -0.02 0.82 -1.16 0.00 0.00 179.01 178.92 3kjv h ILE 309 N 0.43 1.29 -0.04 3.13 2.04 0.14 -3.27 117.51 121.23 3kjv h ILE 309 Ca 0.21 -0.94 -0.07 0.00 1.00 0.00 0.00 64.86 65.06 3kjv h ILE 309 Cb 0.15 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 3kjv h ILE 309 CO -0.17 0.27 -0.31 -0.07 0.00 0.00 0.00 178.15 177.87 3kjv h LEU 310 N -0.14 0.07 -0.06 1.44 3.38 -1.56 -2.04 115.31 116.39 3kjv h LEU 310 Ca 0.02 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3kjv h LEU 310 Cb 0.43 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3kjv h LEU 310 CO 0.01 0.38 -0.13 0.11 0.09 0.00 0.00 178.44 178.90 3kjv h LYS 311 N 0.07 -0.11 -6.09 1.13 1.57 -1.59 -3.38 116.57 108.17 3kjv h LYS 311 Ca 0.01 0.01 -0.67 0.00 -1.87 0.00 0.00 60.65 58.13 3kjv h LYS 311 Cb 0.58 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 3kjv h LYS 311 CO 0.04 -0.07 1.24 0.39 -0.57 0.00 0.00 179.45 180.48 3kjv n GLU 312 N -3.28 1.40 -1.74 3.15 -0.58 -0.77 -4.92 120.64 113.91 3kjv n GLU 312 Ca -0.01 0.45 -0.32 0.00 -0.42 0.00 0.00 57.16 56.87 3kjv n GLU 312 Cb 0.08 -2.47 0.04 0.00 -0.57 0.00 0.00 31.44 28.52 3kjv n GLU 312 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3kjv s PRO 313 N 5.15 3.03 0.11 3.49 0.04 -1.26 -4.96 135.00 140.60 3kjv s PRO 313 Ca 1.03 1.08 -0.25 0.00 0.04 0.00 0.00 61.00 62.90 3kjv s PRO 313 Cb -0.84 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 31.78 3kjv s PRO 313 CO 0.53 -1.03 0.65 0.54 0.04 0.00 0.00 177.00 177.72 3kjv s VAL 314 N -2.78 0.00 0.42 -0.36 0.11 -1.26 -5.15 120.40 111.38 3kjv s VAL 314 Ca 0.61 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.67 3kjv s VAL 314 Cb -0.15 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.69 3kjv s VAL 314 CO 0.47 0.00 0.05 0.00 -3.33 0.00 0.00 175.10 172.30 3kjv n HIS 315 N -0.18 0.70 -4.48 1.54 1.44 -1.26 -4.83 115.22 108.14 3kjv n HIS 315 Ca -0.16 -2.29 -0.23 0.00 -2.01 0.00 0.00 57.72 53.02 3kjv n HIS 315 Cb 0.63 -0.19 -0.06 0.00 0.12 0.00 0.00 29.99 30.50 3kjv n HIS 315 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kjv n GLY 316 N -0.46 3.41 3.01 -1.39 0.00 0.16 -4.75 105.19 105.16 3kjv n GLY 316 Ca -0.14 -2.14 -0.20 0.00 0.00 0.00 0.00 46.02 43.54 3kjv n GLY 316 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kjv n VAL 317 N -0.86 0.00 -3.58 1.61 0.31 -1.09 -2.75 118.33 111.97 3kjv n VAL 317 Ca -0.08 -2.23 -0.24 0.00 -0.01 0.00 0.00 64.34 61.78 3kjv n VAL 317 Cb 0.54 0.99 0.03 0.00 -0.91 0.00 0.00 33.84 34.49 3kjv n VAL 317 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3kjv n TYR 318 N -0.69 -1.19 -4.33 3.52 4.02 -1.26 -4.43 117.16 112.80 3kjv n TYR 318 Ca 0.02 -2.31 -0.23 0.00 -0.01 0.00 0.00 57.90 55.37 3kjv n TYR 318 Cb 0.56 -0.50 -0.08 0.00 -0.02 0.00 0.00 39.34 39.30 3kjv n TYR 318 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 3kjv s TYR 319 N -2.77 2.60 -0.14 -0.72 5.04 -0.84 -4.99 117.35 115.54 3kjv s TYR 319 Ca 0.43 -0.26 -0.12 0.00 -2.44 0.00 0.00 57.07 54.68 3kjv s TYR 319 Cb -0.03 -1.19 0.04 0.00 0.35 0.00 0.00 41.96 41.13 3kjv s TYR 319 CO 0.28 0.62 0.38 0.16 -1.34 0.00 0.00 175.55 175.65 3kjv s ASP 320 N -3.65 -0.41 0.00 4.32 -4.77 -1.26 -3.83 116.67 107.07 3kjv s ASP 320 Ca 0.32 0.77 0.05 0.00 -3.30 0.00 0.00 52.55 50.39 3kjv s ASP 320 Cb -0.06 0.76 0.23 0.00 -1.09 0.00 0.00 42.92 42.77 3kjv s ASP 320 CO 0.19 -0.14 1.03 -2.65 0.70 0.00 0.00 175.17 174.30 3kjv n PRO 321 N 3.09 0.05 0.00 2.11 -0.02 -1.26 -3.84 135.00 135.13 3kjv n PRO 321 Ca -0.15 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3kjv n PRO 321 Cb 0.57 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 3kjv n PRO 321 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3kjv n SER 322 N -1.34 0.00 -3.86 2.55 7.64 -1.26 -4.90 113.62 112.45 3kjv n SER 322 Ca 0.02 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.60 3kjv n SER 322 Cb 0.04 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.50 3kjv n SER 322 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3kjv s LYS 323 N -0.00 -1.69 0.20 1.43 1.02 -1.25 -5.03 119.74 114.41 3kjv s LYS 323 Ca 0.00 0.18 0.10 0.00 0.02 0.00 0.00 55.97 56.28 3kjv s LYS 323 Cb 0.00 -1.52 -0.04 0.00 -0.52 0.00 0.00 37.83 35.75 3kjv s LYS 323 CO 0.00 -4.07 -0.17 0.34 -0.92 0.00 0.00 175.35 170.52 3kjv s ASP 324 N -3.38 3.79 -0.02 2.83 2.15 -1.26 -4.81 116.67 115.96 3kjv s ASP 324 Ca 0.69 -0.77 -0.28 0.00 0.43 0.00 0.00 52.55 52.62 3kjv s ASP 324 Cb -0.14 -0.45 -0.03 0.00 -0.30 0.00 0.00 42.92 42.00 3kjv s ASP 324 CO 0.58 0.10 0.88 -0.76 -0.17 0.00 0.00 175.17 175.80 3kjv s LEU 325 N -2.85 4.35 -0.01 -1.34 1.43 -1.26 -4.32 118.68 114.68 3kjv s LEU 325 Ca 0.24 1.49 0.06 0.00 -1.03 0.00 0.00 54.13 54.89 3kjv s LEU 325 Cb -0.08 -3.40 -0.02 0.00 0.03 0.00 0.00 46.19 42.73 3kjv s LEU 325 CO 0.13 -0.21 -0.21 -0.63 0.23 0.00 0.00 176.35 175.66 3kjv s ILE 326 N 0.93 1.63 -0.06 -0.59 1.01 -0.12 -2.39 121.20 121.60 3kjv s ILE 326 Ca 0.47 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 60.28 3kjv s ILE 326 Cb -0.20 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 3kjv s ILE 326 CO 0.24 0.45 -0.18 0.00 0.00 0.00 0.00 174.94 175.45 3kjv s ALA 327 N -0.49 2.46 -0.27 9.38 0.00 0.94 -0.71 121.76 133.07 3kjv s ALA 327 Ca 0.08 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 3kjv s ALA 327 Cb -0.08 -0.86 0.09 0.00 0.00 0.00 0.00 23.12 22.27 3kjv s ALA 327 CO -0.01 0.48 0.09 -2.00 0.00 0.00 0.00 175.76 174.32 3kjv s GLU 328 N -0.45 0.58 0.40 0.00 2.12 -0.93 -0.52 118.70 119.91 3kjv s GLU 328 Ca 0.05 -0.77 -0.16 0.00 0.36 0.00 0.00 54.97 54.45 3kjv s GLU 328 Cb -0.12 -1.84 -0.09 0.00 0.26 0.00 0.00 34.13 32.34 3kjv s GLU 328 CO 0.02 -0.90 0.83 0.42 -0.54 0.00 0.00 175.26 175.09 3kjv s ILE 329 N 1.79 4.61 -0.05 -3.70 1.01 -0.90 -3.96 121.20 120.00 3kjv s ILE 329 Ca 0.07 1.04 -0.02 0.00 0.00 0.00 0.00 60.65 61.73 3kjv s ILE 329 Cb -0.17 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.68 3kjv s ILE 329 CO -0.23 -0.38 0.11 -1.10 0.00 0.00 0.00 174.94 173.34 3kjv s GLN 330 N -3.41 0.07 -0.20 2.79 -0.21 -0.51 -4.26 119.66 113.92 3kjv s GLN 330 Ca 0.56 0.29 -0.29 0.00 0.02 0.00 0.00 55.36 55.94 3kjv s GLN 330 Cb -0.10 -0.15 -0.02 0.00 1.00 0.00 0.00 33.01 33.74 3kjv s GLN 330 CO 0.22 -0.14 1.43 0.21 -2.12 0.00 0.00 175.29 174.89 3kjv s LYS 331 N 0.94 4.01 0.00 2.91 2.20 -1.26 -2.09 119.74 126.45 3kjv s LYS 331 Ca -0.07 1.61 0.00 0.00 -0.36 0.00 0.00 55.97 57.15 3kjv s LYS 331 Cb -0.10 -3.90 0.00 0.00 -1.51 0.00 0.00 37.83 32.32 3kjv s LYS 331 CO -0.04 -1.01 0.00 0.94 -0.36 0.00 0.00 175.35 174.88 3kjv n GLN 332 N 7.18 3.19 0.00 4.03 -0.06 -1.18 -4.42 117.38 126.12 3kjv n GLN 332 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.16 3kjv n GLN 332 Cb 0.45 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.63 3kjv n GLN 332 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3kjv n GLY 333 N 5.00 -2.58 0.32 1.69 0.00 -1.26 -4.70 105.19 103.66 3kjv n GLY 333 Ca 0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 3kjv n GLY 333 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kjv h GLN 334 N 0.00 -0.73 0.00 1.61 4.20 -2.02 -3.32 115.11 114.85 3kjv h GLN 334 Ca 0.00 0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 3kjv h GLN 334 Cb 0.00 0.17 -0.16 0.00 0.30 0.00 0.00 27.48 27.79 3kjv h GLN 334 CO 0.00 -0.44 -0.66 0.41 -0.67 0.00 0.00 178.83 177.47 3kjv n GLY 335 N -0.38 2.71 3.70 3.46 0.00 -1.26 -5.09 105.19 108.33 3kjv n GLY 335 Ca -0.10 -0.90 -0.23 0.00 0.00 0.00 0.00 46.02 44.79 3kjv n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kjv s GLN 336 N -1.38 2.48 0.03 1.61 -0.21 -1.25 -4.55 119.66 116.39 3kjv s GLN 336 Ca 0.30 -1.31 -0.10 0.00 0.02 0.00 0.00 55.36 54.27 3kjv s GLN 336 Cb 0.31 -2.28 0.01 0.00 1.00 0.00 0.00 33.01 32.04 3kjv s GLN 336 CO -0.09 0.38 0.21 -1.58 -2.12 0.00 0.00 175.29 172.09 3kjv s TRP 337 N -2.26 0.02 -0.06 0.91 0.52 -0.53 -3.07 118.94 114.46 3kjv s TRP 337 Ca 0.32 -0.18 -0.00 0.00 0.02 0.00 0.00 56.10 56.25 3kjv s TRP 337 Cb -0.07 -0.01 0.03 0.00 -1.15 0.00 0.00 33.47 32.27 3kjv s TRP 337 CO 0.21 -0.41 -0.02 0.99 0.02 0.00 0.00 176.95 177.74 3kjv s THR 338 N -2.28 0.46 0.09 2.01 2.01 -0.89 -2.56 115.64 114.48 3kjv s THR 338 Ca -0.07 0.01 0.01 0.00 0.31 0.00 0.00 61.69 61.95 3kjv s THR 338 Cb -0.02 -0.56 0.01 0.00 0.01 0.00 0.00 72.50 71.93 3kjv s THR 338 CO -0.02 0.25 0.07 0.00 -0.69 0.00 0.00 174.62 174.23 3kjv n TYR 339 N 4.73 -1.46 0.00 4.92 4.11 -1.14 -1.42 117.16 126.90 3kjv n TYR 339 Ca -0.14 -0.37 0.00 0.00 -0.00 0.00 0.00 57.90 57.39 3kjv n TYR 339 Cb 0.50 -0.07 0.00 0.00 -0.00 0.00 0.00 39.34 39.77 3kjv n TYR 339 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3kjv n GLN 340 N -0.74 0.00 -3.86 -3.48 10.64 -1.25 -2.15 117.38 116.53 3kjv n GLN 340 Ca -0.00 0.00 -0.33 0.00 -1.83 0.00 0.00 57.00 54.84 3kjv n GLN 340 Cb 0.10 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.43 3kjv n GLN 340 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 3kjv s ILE 341 N 0.00 5.38 0.00 -0.39 1.09 -0.49 -2.18 121.20 124.61 3kjv s ILE 341 Ca 0.00 -0.13 0.00 0.00 -1.10 0.00 0.00 60.65 59.42 3kjv s ILE 341 Cb 0.00 -3.57 0.00 0.00 -1.06 0.00 0.00 42.46 37.83 3kjv s ILE 341 CO 0.00 0.27 0.00 0.00 -0.10 0.00 0.00 174.94 175.11 3kjv n TYR 342 N 0.78 -0.63 0.00 3.97 -0.00 0.11 -0.93 117.16 120.45 3kjv n TYR 342 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.81 3kjv n TYR 342 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 3kjv n TYR 342 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 3kjv n GLN 343 N 0.00 1.13 -3.86 -3.48 6.02 -1.26 -0.95 117.38 114.99 3kjv n GLN 343 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 3kjv n GLN 343 Cb 0.00 -0.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.67 3kjv n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3kjv s GLU 344 N -0.81 0.55 0.01 -1.09 2.02 -1.26 -4.67 118.70 113.44 3kjv s GLU 344 Ca 0.00 -0.43 -0.03 0.00 0.02 0.00 0.00 54.97 54.54 3kjv s GLU 344 Cb 0.00 0.23 -0.01 0.00 0.10 0.00 0.00 34.13 34.45 3kjv s GLU 344 CO 0.00 -0.14 1.04 -1.00 0.02 0.00 0.00 175.26 175.18 3kjv h PRO 345 N 4.06 -0.04 -0.47 0.39 0.13 -2.03 -1.69 132.00 132.35 3kjv h PRO 345 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3kjv h PRO 345 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3kjv h PRO 345 CO 0.42 -0.03 0.00 1.19 -0.23 0.00 0.00 178.00 179.36 3kjv n PHE 346 N -2.83 0.62 -2.82 1.56 3.01 -1.26 -4.72 117.46 111.01 3kjv n PHE 346 Ca -0.00 -0.31 -0.43 0.00 1.01 0.00 0.00 57.45 57.72 3kjv n PHE 346 Cb 0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.47 3kjv n PHE 346 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3kjv s LYS 347 N -1.38 3.43 0.62 -1.08 1.02 -0.64 -5.03 119.74 116.69 3kjv s LYS 347 Ca 0.40 -1.28 -0.19 0.00 0.02 0.00 0.00 55.97 54.92 3kjv s LYS 347 Cb 0.22 -4.74 -0.02 0.00 -0.52 0.00 0.00 37.83 32.77 3kjv s LYS 347 CO 0.31 -1.88 1.25 0.09 -0.92 0.00 0.00 175.35 174.19 3kjv n ASN 348 N 7.46 1.96 0.00 2.83 3.02 -1.26 -4.19 115.26 125.08 3kjv n ASN 348 Ca 0.16 0.85 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 3kjv n ASN 348 Cb 0.48 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.12 3kjv n ASN 348 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3kjv n LEU 349 N -1.56 0.00 0.00 3.41 7.94 -0.11 -2.66 117.00 124.02 3kjv n LEU 349 Ca 0.15 -0.13 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 3kjv n LEU 349 Cb 0.47 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.42 3kjv n LEU 349 CO 0.48 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 177.93 3kjv n LYS 350 N -1.30 0.00 -4.16 1.96 0.00 -1.19 -4.49 118.16 108.98 3kjv n LYS 350 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.17 3kjv n LYS 350 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 34.95 3kjv n LYS 350 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3kjv s THR 351 N -2.00 0.00 0.00 3.15 -4.23 -0.94 -1.39 115.64 110.23 3kjv s THR 351 Ca 0.00 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 3kjv s THR 351 Cb 0.00 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.37 3kjv s THR 351 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 3kjv n GLY 352 N -0.42 3.18 3.15 3.99 0.00 -0.92 -4.28 105.19 109.90 3kjv n GLY 352 Ca 0.02 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.27 3kjv n GLY 352 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kjv s LYS 353 N 0.95 0.40 -0.26 1.61 2.20 -1.26 -2.88 119.74 120.51 3kjv s LYS 353 Ca 0.00 0.64 -0.03 0.00 -0.36 0.00 0.00 55.97 56.22 3kjv s LYS 353 Cb 0.00 0.34 0.02 0.00 -1.51 0.00 0.00 37.83 36.69 3kjv s LYS 353 CO 0.00 -0.52 -0.03 -0.47 -0.36 0.00 0.00 175.35 173.97 3kjv s TYR 354 N 2.90 3.09 0.00 4.03 5.04 -1.06 -4.94 117.35 126.41 3kjv s TYR 354 Ca 0.13 -1.47 0.00 0.00 -2.44 0.00 0.00 57.07 53.29 3kjv s TYR 354 Cb -0.11 -2.10 0.00 0.00 0.35 0.00 0.00 41.96 40.10 3kjv s TYR 354 CO -0.19 -0.71 0.72 0.00 -1.34 0.00 0.00 175.55 174.04 3kjv n ALA 355 N 4.70 1.75 -1.77 3.97 0.00 -1.26 -1.45 120.51 126.44 3kjv n ALA 355 Ca -0.16 -0.72 -0.41 0.00 0.00 0.00 0.00 53.44 52.15 3kjv n ALA 355 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 3kjv n ALA 355 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3kjv s ARG 356 N -0.52 4.01 -0.79 0.00 3.52 -1.26 -4.73 118.95 119.17 3kjv s ARG 356 Ca 0.00 2.49 -0.03 0.00 -0.13 0.00 0.00 55.73 58.06 3kjv s ARG 356 Cb 0.00 -2.88 0.20 0.00 -1.56 0.00 0.00 34.95 30.71 3kjv s ARG 356 CO 0.00 -0.58 0.65 -1.64 -0.81 0.00 0.00 175.30 172.92 3kjv s MET 357 N -2.18 3.05 -0.43 5.12 -1.94 -1.26 -5.04 119.30 116.63 3kjv s MET 357 Ca 0.55 -2.91 -0.10 0.00 -1.71 0.00 0.00 55.69 51.52 3kjv s MET 357 Cb -0.45 -3.93 0.08 0.00 2.01 0.00 0.00 34.83 32.54 3kjv s MET 357 CO 0.60 -1.23 0.28 -0.98 -0.01 0.00 0.00 175.02 173.68 3kjv s ARG 358 N -0.71 2.64 0.00 2.03 1.70 -1.26 -4.95 118.95 118.41 3kjv s ARG 358 Ca 0.23 -1.46 0.00 0.00 -0.47 0.00 0.00 55.73 54.03 3kjv s ARG 358 Cb -0.13 -3.83 0.00 0.00 -0.57 0.00 0.00 34.95 30.43 3kjv s ARG 358 CO -0.08 -0.97 0.00 0.41 -1.08 0.00 0.00 175.30 173.57 3kjv n GLY 359 N 4.95 3.90 0.14 3.88 0.00 -1.26 -4.90 105.19 111.89 3kjv n GLY 359 Ca -0.10 -1.71 -0.22 0.00 0.00 0.00 0.00 46.02 43.99 3kjv n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kjv h ALA 360 N 0.00 0.03 -3.57 4.61 0.00 -1.96 -3.46 119.26 114.90 3kjv h ALA 360 Ca 0.00 -0.98 -0.52 0.00 0.00 0.00 0.00 54.91 53.41 3kjv h ALA 360 Cb 0.00 0.24 -0.33 0.00 0.00 0.00 0.00 17.79 17.71 3kjv h ALA 360 CO 0.00 0.89 -0.82 -1.01 0.00 0.00 0.00 179.25 178.31 3kjv s HIS 361 N -2.61 1.51 0.25 0.00 3.76 -1.26 -0.46 115.29 116.48 3kjv s HIS 361 Ca -0.10 -0.51 -0.09 0.00 -0.15 0.00 0.00 55.06 54.20 3kjv s HIS 361 Cb 0.05 -1.07 -0.01 0.00 1.11 0.00 0.00 32.58 32.66 3kjv s HIS 361 CO 0.90 -0.24 0.42 -0.08 -0.85 0.00 0.00 174.74 174.90 3kjv s THR 362 N 0.45 0.00 0.34 1.30 -1.32 -0.86 -4.99 115.64 110.55 3kjv s THR 362 Ca -0.11 -1.53 0.03 0.00 -1.21 0.00 0.00 61.69 58.87 3kjv s THR 362 Cb -0.14 -2.32 -0.05 0.00 -1.51 0.00 0.00 72.50 68.47 3kjv s THR 362 CO 0.03 0.00 0.08 0.54 -2.21 0.00 0.00 174.62 173.06 3kjv s ASN 363 N -3.07 2.31 0.53 8.08 2.20 -1.26 -1.69 114.94 122.04 3kjv s ASN 363 Ca 0.26 -1.46 0.36 0.00 -0.94 0.00 0.00 52.86 51.08 3kjv s ASN 363 Cb 0.01 0.11 1.94 0.00 -2.00 0.00 0.00 41.25 41.31 3kjv s ASN 363 CO 0.11 -0.71 2.09 0.44 -2.94 0.00 0.00 177.10 176.09 3kjv h ASP 364 N 2.06 0.00 1.23 3.54 3.32 -1.89 -1.74 116.42 122.94 3kjv h ASP 364 Ca -0.39 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 3kjv h ASP 364 Cb 1.25 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 3kjv h ASP 364 CO 0.65 0.00 -0.78 0.58 -1.72 0.00 0.00 179.24 177.97 3kjv h VAL 365 N 0.00 0.04 0.11 -1.35 2.07 -1.96 -2.20 116.25 112.96 3kjv h VAL 365 Ca 0.00 -1.07 -0.32 0.00 0.82 0.00 0.00 66.70 66.13 3kjv h VAL 365 Cb 0.00 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3kjv h VAL 365 CO 0.00 0.02 -1.67 0.11 0.02 0.00 0.00 177.57 176.06 3kjv h LYS 366 N 0.00 0.23 -0.86 1.57 1.57 -1.73 -2.49 116.57 114.86 3kjv h LYS 366 Ca -0.01 -0.39 0.01 0.00 -1.87 0.00 0.00 60.65 58.39 3kjv h LYS 366 Cb 1.04 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 33.45 3kjv h LYS 366 CO 0.00 1.07 0.56 1.96 -0.57 0.00 0.00 179.45 182.47 3kjv h GLN 367 N 0.06 1.11 -0.99 3.15 4.20 -1.63 0.14 115.11 121.16 3kjv h GLN 367 Ca -0.29 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.37 3kjv h GLN 367 Cb 2.03 -0.25 -0.05 0.00 0.30 0.00 0.00 27.48 29.51 3kjv h GLN 367 CO 0.14 0.73 0.65 1.25 -0.67 0.00 0.00 178.83 180.93 3kjv h LEU 368 N 1.14 1.12 -0.44 1.46 7.12 -1.45 -0.28 115.31 123.98 3kjv h LEU 368 Ca 0.32 -0.03 -0.06 0.00 0.13 0.00 0.00 57.88 58.24 3kjv h LEU 368 Cb -0.11 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 39.73 3kjv h LEU 368 CO -0.08 0.80 0.03 0.74 -0.13 0.00 0.00 178.44 179.81 3kjv h THR 369 N 1.32 1.25 0.20 1.05 2.02 -0.90 -0.90 112.91 116.95 3kjv h THR 369 Ca 0.37 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 3kjv h THR 369 Cb -0.13 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3kjv h THR 369 CO -0.09 0.34 -0.09 -0.33 0.37 0.00 0.00 175.52 175.72 3kjv h GLU 370 N 0.61 -0.25 -0.36 6.66 5.08 -0.43 -0.53 114.58 125.35 3kjv h GLU 370 Ca 0.13 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.58 3kjv h GLU 370 Cb 0.44 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.68 3kjv h GLU 370 CO 0.02 -0.05 -0.12 0.00 -1.00 0.00 0.00 179.01 177.86 3kjv h ALA 371 N 0.35 0.20 -0.62 3.43 0.00 -0.98 0.70 119.26 122.33 3kjv h ALA 371 Ca -0.03 0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.14 3kjv h ALA 371 Cb 0.32 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3kjv h ALA 371 CO 0.04 -0.49 0.42 0.28 0.00 0.00 0.00 179.25 179.51 3kjv h VAL 372 N -0.04 0.85 -0.26 0.00 2.07 -0.99 0.35 116.25 118.23 3kjv h VAL 372 Ca 0.18 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 67.49 3kjv h VAL 372 Cb 0.31 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3kjv h VAL 372 CO -0.39 0.06 -0.19 1.56 0.02 0.00 0.00 177.57 178.62 3kjv h GLN 373 N 0.35 0.60 0.23 1.57 7.50 0.19 -2.19 115.11 123.35 3kjv h GLN 373 Ca 0.29 -0.29 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 3kjv h GLN 373 Cb 0.67 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.20 3kjv h GLN 373 CO -0.08 0.88 -0.11 -0.22 -1.50 0.00 0.00 178.83 177.80 3kjv h LYS 374 N 0.32 -0.30 -0.69 1.46 1.63 0.87 -2.92 116.57 116.94 3kjv h LYS 374 Ca 0.05 0.02 0.12 0.00 -0.85 0.00 0.00 60.65 59.99 3kjv h LYS 374 Cb 0.73 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.39 3kjv h LYS 374 CO 0.05 -0.02 0.46 0.82 -3.45 0.00 0.00 179.45 177.31 3kjv h ILE 375 N -0.58 0.85 0.01 2.00 2.04 -1.05 -2.50 117.51 118.28 3kjv h ILE 375 Ca -0.03 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 3kjv h ILE 375 Cb 0.42 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3kjv h ILE 375 CO 0.05 0.08 -0.00 0.74 0.00 0.00 0.00 178.15 179.02 3kjv h THR 376 N 0.44 0.00 -0.99 -0.27 2.02 -1.22 -1.26 112.91 111.63 3kjv h THR 376 Ca 0.33 -0.01 0.31 0.00 0.77 0.00 0.00 66.41 67.81 3kjv h THR 376 Cb 0.68 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.94 3kjv h THR 376 CO -0.10 0.00 0.54 0.74 0.37 0.00 0.00 175.52 177.07 3kjv h THR 377 N -0.02 0.31 -0.07 3.16 2.02 -1.53 0.25 112.91 117.03 3kjv h THR 377 Ca -0.00 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 3kjv h THR 377 Cb 0.01 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.37 3kjv h THR 377 CO 0.00 0.06 0.04 -0.08 0.37 0.00 0.00 175.52 175.91 3kjv h GLU 378 N 0.32 0.10 -0.90 6.66 4.81 -1.45 -1.06 114.58 123.05 3kjv h GLU 378 Ca 0.72 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 60.03 3kjv h GLU 378 Cb 1.61 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.90 3kjv h GLU 378 CO -0.61 0.13 0.54 0.77 -0.73 0.00 0.00 179.01 179.12 3kjv h SER 379 N 0.03 0.81 -0.51 1.04 0.02 0.69 0.13 113.55 115.76 3kjv h SER 379 Ca 0.02 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3kjv h SER 379 Cb 0.06 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 3kjv h SER 379 CO -0.00 0.47 0.34 0.40 -1.14 0.00 0.00 176.83 176.90 3kjv h ILE 380 N 0.92 1.08 0.24 3.27 5.03 -0.96 0.07 117.51 127.16 3kjv h ILE 380 Ca 0.42 -0.21 -0.01 0.00 -0.12 0.00 0.00 64.86 64.94 3kjv h ILE 380 Cb 0.34 0.41 0.00 0.00 -3.03 0.00 0.00 36.82 34.54 3kjv h ILE 380 CO -0.23 0.11 -0.12 0.58 -0.68 0.00 0.00 178.15 177.81 3kjv h VAL 381 N 0.62 0.80 0.22 1.67 2.07 0.29 -1.62 116.25 120.30 3kjv h VAL 381 Ca 0.20 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 3kjv h VAL 381 Cb 0.05 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3kjv h VAL 381 CO -0.05 0.14 -0.11 0.40 0.02 0.00 0.00 177.57 177.98 3kjv h ILE 382 N -0.72 0.00 0.00 4.57 2.04 -0.92 -3.38 117.51 119.10 3kjv h ILE 382 Ca -0.03 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.40 3kjv h ILE 382 Cb 0.49 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 3kjv h ILE 382 CO 0.06 0.00 -0.93 0.79 0.00 0.00 0.00 178.15 178.06 3kjv n TRP 383 N -3.99 0.39 -0.94 1.37 8.01 -0.30 -4.84 117.44 117.14 3kjv n TRP 383 Ca -0.04 0.11 0.00 0.00 -1.31 0.00 0.00 57.50 56.27 3kjv n TRP 383 Cb 0.12 -0.54 0.00 0.00 -2.01 0.00 0.00 31.31 28.88 3kjv n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3kjv n GLY 384 N 1.34 0.43 3.15 6.99 0.00 -0.14 -4.97 105.19 112.00 3kjv n GLY 384 Ca 0.02 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 45.09 3kjv n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kjv s LYS 385 N -1.59 0.73 0.08 1.61 -2.85 -1.23 -4.84 119.74 111.65 3kjv s LYS 385 Ca 0.00 -1.03 -0.27 0.00 -1.00 0.00 0.00 55.97 53.67 3kjv s LYS 385 Cb 0.00 0.28 -0.06 0.00 -2.06 0.00 0.00 37.83 35.99 3kjv s LYS 385 CO 0.00 -0.20 0.84 0.95 0.10 0.00 0.00 175.35 177.04 3kjv s THR 386 N -3.76 4.60 1.03 3.79 -4.23 -1.26 -3.24 115.64 112.58 3kjv s THR 386 Ca 0.05 1.81 -0.17 0.00 -1.18 0.00 0.00 61.69 62.19 3kjv s THR 386 Cb 0.05 -4.20 0.23 0.00 1.34 0.00 0.00 72.50 69.93 3kjv s THR 386 CO -0.10 0.36 1.29 -2.84 -0.54 0.00 0.00 174.62 172.79 3kjv s PRO 387 N -0.15 0.07 -0.04 3.99 0.02 -1.26 -4.97 135.00 132.66 3kjv s PRO 387 Ca 0.41 -0.40 0.01 0.00 0.02 0.00 0.00 61.00 61.05 3kjv s PRO 387 Cb -0.22 -1.78 -0.03 0.00 0.02 0.00 0.00 34.50 32.49 3kjv s PRO 387 CO 0.26 -2.80 -0.05 0.15 -0.33 0.00 0.00 177.00 174.23 3kjv s LYS 388 N -5.83 2.72 0.27 5.54 1.02 -1.01 -4.84 119.74 117.61 3kjv s LYS 388 Ca 0.75 -0.59 0.08 0.00 0.02 0.00 0.00 55.97 56.22 3kjv s LYS 388 Cb -0.04 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.64 3kjv s LYS 388 CO 0.54 0.65 0.15 -0.06 -0.92 0.00 0.00 175.35 175.71 3kjv s PHE 389 N -0.91 2.95 -0.05 3.18 0.08 -0.99 -0.04 117.98 122.21 3kjv s PHE 389 Ca 0.15 -0.18 -0.02 0.00 0.12 0.00 0.00 56.93 57.00 3kjv s PHE 389 Cb -0.11 -1.41 0.04 0.00 -0.57 0.00 0.00 43.02 40.97 3kjv s PHE 389 CO 0.04 0.50 0.10 0.15 -0.10 0.00 0.00 175.22 175.91 3kjv s LYS 390 N -3.82 -0.02 -0.01 0.44 1.02 0.33 -2.22 119.74 115.46 3kjv s LYS 390 Ca 0.34 0.40 0.02 0.00 0.02 0.00 0.00 55.97 56.75 3kjv s LYS 390 Cb -0.07 -0.35 -0.00 0.00 -0.52 0.00 0.00 37.83 36.89 3kjv s LYS 390 CO 0.24 -0.27 -0.08 -0.51 -0.92 0.00 0.00 175.35 173.81 3kjv s LEU 391 N 1.89 1.98 0.00 3.17 1.43 -1.04 -2.12 118.68 123.98 3kjv s LEU 391 Ca 0.00 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 3kjv s LEU 391 Cb -0.12 -0.40 0.00 0.00 0.03 0.00 0.00 46.19 45.70 3kjv s LEU 391 CO -0.04 0.09 0.03 -2.65 0.23 0.00 0.00 176.35 174.01 3kjv n PRO 392 N 2.95 0.03 -3.79 1.29 -0.02 -1.26 -2.42 135.00 131.79 3kjv n PRO 392 Ca -0.14 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.21 3kjv n PRO 392 Cb 0.57 -1.49 -0.13 0.00 -0.02 0.00 0.00 33.50 32.43 3kjv n PRO 392 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3kjv s ILE 393 N 1.09 -0.02 0.30 4.25 2.07 -1.26 0.59 121.20 128.22 3kjv s ILE 393 Ca 0.00 0.08 -0.28 0.00 -1.41 0.00 0.00 60.65 59.03 3kjv s ILE 393 Cb 0.00 -0.23 -0.09 0.00 0.13 0.00 0.00 42.46 42.26 3kjv s ILE 393 CO 0.00 0.03 1.08 -1.10 -1.91 0.00 0.00 174.94 173.04 3kjv s GLN 394 N 0.58 4.56 0.60 3.50 -0.21 -1.26 -4.72 119.66 122.71 3kjv s GLN 394 Ca -0.04 1.74 0.28 0.00 0.02 0.00 0.00 55.36 57.35 3kjv s GLN 394 Cb -0.06 -3.08 1.29 0.00 1.00 0.00 0.00 33.01 32.17 3kjv s GLN 394 CO -0.03 0.16 1.69 -0.22 -2.12 0.00 0.00 175.29 174.77 3kjv h LYS 395 N 3.59 0.00 0.00 2.91 1.63 -1.99 -1.09 116.57 121.62 3kjv h LYS 395 Ca -0.47 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.26 3kjv h LYS 395 Cb 1.21 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.83 3kjv h LYS 395 CO 0.66 0.00 -0.47 0.93 -3.45 0.00 0.00 179.45 177.12 3kjv h GLU 396 N 0.00 0.00 -0.97 1.90 3.07 -2.00 -3.15 114.58 113.43 3kjv h GLU 396 Ca 0.29 0.00 0.25 0.00 -0.50 0.00 0.00 59.36 59.40 3kjv h GLU 396 Cb 1.74 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 29.46 3kjv h GLU 396 CO -0.00 0.67 -0.03 2.41 -1.40 0.00 0.00 179.01 180.66 3kjv n THR 397 N -4.59 -0.41 0.20 1.13 -1.04 -0.42 0.40 114.28 109.55 3kjv n THR 397 Ca -0.15 2.16 -0.16 0.00 -2.04 0.00 0.00 64.05 63.87 3kjv n THR 397 Cb 0.42 -3.12 -0.08 0.00 -1.82 0.00 0.00 70.33 65.73 3kjv n THR 397 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 3kjv h TRP 398 N 0.00 -1.19 -0.82 -1.42 2.91 -1.62 0.76 115.95 114.58 3kjv h TRP 398 Ca 0.57 0.02 0.16 0.00 1.13 0.00 0.00 58.89 60.76 3kjv h TRP 398 Cb 1.12 0.48 -0.10 0.00 -0.51 0.00 0.00 29.16 30.15 3kjv h TRP 398 CO -0.55 -0.56 0.37 0.93 -1.03 0.00 0.00 178.44 177.60 3kjv h GLU 399 N -0.79 0.49 0.00 2.65 3.07 -0.01 0.91 114.58 120.90 3kjv h GLU 399 Ca -0.02 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3kjv h GLU 399 Cb 0.74 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 3kjv h GLU 399 CO -0.14 0.33 0.00 2.41 -1.40 0.00 0.00 179.01 180.21 3kjv n THR 400 N -4.96 0.00 -0.32 1.13 -1.04 -0.05 0.21 114.28 109.25 3kjv n THR 400 Ca 0.17 1.44 -0.07 0.00 -2.04 0.00 0.00 64.05 63.55 3kjv n THR 400 Cb 0.47 -2.16 -0.03 0.00 -1.82 0.00 0.00 70.33 66.79 3kjv n THR 400 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 3kjv h TRP 401 N 0.00 -1.38 0.00 -1.42 2.91 0.45 0.28 115.95 116.79 3kjv h TRP 401 Ca 0.00 0.10 -0.01 0.00 1.13 0.00 0.00 58.89 60.11 3kjv h TRP 401 Cb 0.00 0.72 -0.00 0.00 -0.51 0.00 0.00 29.16 29.37 3kjv h TRP 401 CO -0.38 -0.40 -0.05 0.11 -1.03 0.00 0.00 178.44 176.69 3kjv h TRP 402 N -0.09 0.00 0.37 2.65 5.08 0.11 -0.83 115.95 123.24 3kjv h TRP 402 Ca 0.23 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.18 3kjv h TRP 402 Cb 0.54 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.70 3kjv h TRP 402 CO -0.85 0.05 -0.18 1.15 -1.28 0.00 0.00 178.44 177.32 3kjv h THR 403 N 0.00 0.00 0.00 0.12 2.02 0.19 -3.40 112.91 111.84 3kjv h THR 403 Ca -0.00 -0.21 -0.17 0.00 0.77 0.00 0.00 66.41 66.80 3kjv h THR 403 Cb 0.38 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.76 3kjv h THR 403 CO 0.01 0.00 -1.15 -0.33 0.37 0.00 0.00 175.52 174.41 3kjv h GLU 404 N -0.71 0.00 -6.74 6.66 4.39 -0.99 -3.45 114.58 113.74 3kjv h GLU 404 Ca -0.05 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.12 3kjv h GLU 404 Cb 0.38 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 29.11 3kjv h GLU 404 CO 0.08 0.47 0.95 -0.47 -1.16 0.00 0.00 179.01 178.88 3kjv s TYR 405 N -2.86 2.81 -0.01 4.33 5.04 -0.35 -4.90 117.35 121.41 3kjv s TYR 405 Ca -0.01 0.58 0.11 0.00 -2.44 0.00 0.00 57.07 55.31 3kjv s TYR 405 Cb 0.08 -4.11 -0.10 0.00 0.35 0.00 0.00 41.96 38.19 3kjv s TYR 405 CO 0.80 -3.94 1.31 0.11 -1.34 0.00 0.00 175.55 172.48 3kjv h TRP 406 N 5.72 0.00 -4.28 4.97 0.09 -1.90 -3.45 115.95 117.10 3kjv h TRP 406 Ca -0.45 0.00 -0.50 0.00 0.09 0.00 0.00 58.89 58.03 3kjv h TRP 406 Cb 1.21 0.00 0.07 0.00 0.08 0.00 0.00 29.16 30.52 3kjv h TRP 406 CO 0.61 0.78 0.38 -0.65 0.09 0.00 0.00 178.44 179.65 3kjv s GLN 407 N -2.82 3.31 -0.59 0.12 1.11 -1.26 -4.98 119.66 114.55 3kjv s GLN 407 Ca 0.02 1.00 -0.24 0.00 0.01 0.00 0.00 55.36 56.14 3kjv s GLN 407 Cb 0.09 -2.04 0.05 0.00 -1.01 0.00 0.00 33.01 30.10 3kjv s GLN 407 CO 0.79 -0.80 0.98 0.00 0.01 0.00 0.00 175.29 176.27 3kjv s ALA 408 N -2.83 3.12 0.37 6.09 0.00 -1.26 -5.02 121.76 122.22 3kjv s ALA 408 Ca 0.59 -1.36 0.08 0.00 0.00 0.00 0.00 51.96 51.27 3kjv s ALA 408 Cb -0.13 -3.81 -0.04 0.00 0.00 0.00 0.00 23.12 19.14 3kjv s ALA 408 CO 0.46 -2.54 0.24 -0.08 0.00 0.00 0.00 175.76 173.84 3kjv s THR 409 N 4.14 2.94 -0.30 0.00 -1.32 -1.26 -5.14 115.64 114.70 3kjv s THR 409 Ca 0.29 -1.54 -0.17 0.00 -1.21 0.00 0.00 61.69 59.06 3kjv s THR 409 Cb -0.13 -3.03 0.18 0.00 -1.51 0.00 0.00 72.50 68.01 3kjv s THR 409 CO 0.17 -0.11 1.20 0.86 -2.21 0.00 0.00 174.62 174.53 3kjv s TRP 410 N -2.44 -0.21 0.16 9.09 -0.00 -1.26 -5.08 118.94 119.21 3kjv s TRP 410 Ca 0.41 0.27 -0.22 0.00 -0.00 0.00 0.00 56.10 56.56 3kjv s TRP 410 Cb -0.02 0.09 -0.08 0.00 -0.00 0.00 0.00 33.47 33.46 3kjv s TRP 410 CO 0.25 -0.11 0.71 0.42 -0.00 0.00 0.00 176.95 178.22 3kjv s ILE 411 N 2.65 4.51 0.63 5.86 1.01 -1.26 -5.09 121.20 129.51 3kjv s ILE 411 Ca -0.05 1.47 -0.08 0.00 0.00 0.00 0.00 60.65 62.00 3kjv s ILE 411 Cb -0.06 -4.00 0.01 0.00 0.01 0.00 0.00 42.46 38.42 3kjv s ILE 411 CO -0.11 0.43 0.96 -2.16 0.00 0.00 0.00 174.94 174.07 3kjv s PRO 412 N -1.39 2.86 0.00 2.79 0.04 -1.26 -4.87 135.00 133.16 3kjv s PRO 412 Ca 0.36 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.52 3kjv s PRO 412 Cb -0.20 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.14 3kjv s PRO 412 CO 0.23 -0.83 0.00 -1.91 0.04 0.00 0.00 177.00 174.53 3kjv n GLU 413 N -2.73 0.00 -4.25 4.56 2.13 -1.26 -4.72 120.64 114.37 3kjv n GLU 413 Ca 0.05 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.74 3kjv n GLU 413 Cb 0.58 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.18 3kjv n GLU 413 CO 0.00 0.00 0.00 1.67 -0.41 0.00 0.00 177.13 178.39 3kjv s TRP 414 N 0.00 1.29 -0.07 4.31 1.48 -1.26 -2.34 118.94 122.35 3kjv s TRP 414 Ca 0.00 -1.23 -0.12 0.00 -1.06 0.00 0.00 56.10 53.70 3kjv s TRP 414 Cb 0.00 -0.71 0.03 0.00 -1.16 0.00 0.00 33.47 31.62 3kjv s TRP 414 CO 0.00 -0.44 0.30 -1.21 -4.06 0.00 0.00 176.95 171.54 3kjv s GLU 415 N -4.06 0.47 0.06 3.25 0.41 -0.94 -4.93 118.70 112.95 3kjv s GLU 415 Ca 0.35 0.16 -0.31 0.00 -0.41 0.00 0.00 54.97 54.76 3kjv s GLU 415 Cb 0.07 0.22 -0.07 0.00 -1.78 0.00 0.00 34.13 32.57 3kjv s GLU 415 CO 0.10 -0.09 1.43 0.12 -0.49 0.00 0.00 175.26 176.32 3kjv s PHE 416 N -0.45 2.96 0.21 1.61 5.36 -1.26 -2.51 117.98 123.91 3kjv s PHE 416 Ca -0.06 0.82 0.06 0.00 -0.96 0.00 0.00 56.93 56.79 3kjv s PHE 416 Cb -0.04 -3.71 -0.04 0.00 -0.34 0.00 0.00 43.02 38.90 3kjv s PHE 416 CO 0.02 -2.58 0.16 0.14 -1.46 0.00 0.00 175.22 171.50 3kjv s VAL 417 N 1.89 4.44 -0.67 3.12 -7.23 -1.01 -4.84 120.40 116.09 3kjv s VAL 417 Ca 0.65 -1.27 0.01 0.00 -1.81 0.00 0.00 61.98 59.56 3kjv s VAL 417 Cb -0.35 -3.34 0.39 0.00 0.56 0.00 0.00 36.38 33.65 3kjv s VAL 417 CO 0.29 -0.24 1.70 -3.20 -0.31 0.00 0.00 175.10 173.34 3kjv n ASN 418 N -0.78 6.53 -4.27 4.85 5.15 -1.26 -4.27 115.26 121.21 3kjv n ASN 418 Ca -0.08 -3.79 -0.44 0.00 -0.60 0.00 0.00 54.58 49.67 3kjv n ASN 418 Cb 0.56 -0.83 -0.05 0.00 -0.53 0.00 0.00 39.78 38.93 3kjv n ASN 418 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3kjv s THR 419 N -5.17 4.95 0.66 -0.44 -4.23 -1.26 -5.05 115.64 105.10 3kjv s THR 419 Ca 0.52 -2.17 -0.17 0.00 -1.18 0.00 0.00 61.69 58.69 3kjv s THR 419 Cb 0.43 -4.14 -0.04 0.00 1.34 0.00 0.00 72.50 70.09 3kjv s THR 419 CO -0.28 -0.92 0.82 -2.65 -0.54 0.00 0.00 174.62 171.05 3kjv n PRO 420 N 4.40 0.61 -1.82 3.99 -0.02 -1.26 -4.33 135.00 136.57 3kjv n PRO 420 Ca 0.02 0.25 -0.39 0.00 -2.02 0.00 0.00 63.50 61.35 3kjv n PRO 420 Cb 0.43 -2.05 0.02 0.00 -0.02 0.00 0.00 33.50 31.87 3kjv n PRO 420 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3kjv s PRO 421 N -2.84 3.57 0.32 0.52 0.02 -1.26 -4.82 135.00 130.51 3kjv s PRO 421 Ca 0.73 2.35 -0.12 0.00 0.02 0.00 0.00 61.00 63.97 3kjv s PRO 421 Cb -0.39 -2.56 -0.08 0.00 0.02 0.00 0.00 34.50 31.49 3kjv s PRO 421 CO 0.51 -0.88 0.69 -0.51 -0.33 0.00 0.00 177.00 176.47 3kjv s LEU 422 N -2.90 4.04 0.16 -5.54 1.43 -1.26 -4.51 118.68 110.10 3kjv s LEU 422 Ca 0.63 1.13 -0.26 0.00 -1.03 0.00 0.00 54.13 54.60 3kjv s LEU 422 Cb -0.42 -3.94 -0.08 0.00 0.03 0.00 0.00 46.19 41.78 3kjv s LEU 422 CO 0.53 -0.21 0.81 -0.69 0.23 0.00 0.00 176.35 177.02 3kjv s VAL 423 N -2.03 4.36 0.24 -1.59 1.01 0.20 -5.01 120.40 117.58 3kjv s VAL 423 Ca 0.51 1.78 -0.19 0.00 0.00 0.00 0.00 61.98 64.08 3kjv s VAL 423 Cb -0.10 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.12 3kjv s VAL 423 CO 0.22 0.50 0.62 -1.59 0.00 0.00 0.00 175.10 174.84 3kjv s LYS 424 N -1.00 1.61 -0.48 2.72 -2.85 -1.26 -4.59 119.74 113.89 3kjv s LYS 424 Ca 0.37 -0.96 -0.20 0.00 -1.00 0.00 0.00 55.97 54.18 3kjv s LYS 424 Cb -0.23 0.56 0.04 0.00 -2.06 0.00 0.00 37.83 36.14 3kjv s LYS 424 CO 0.27 -0.71 0.64 -0.51 0.10 0.00 0.00 175.35 175.14 3kjv s LEU 425 N -2.91 4.74 0.00 2.77 1.43 -1.26 -4.68 118.68 118.77 3kjv s LEU 425 Ca 0.12 -0.67 0.01 0.00 -1.03 0.00 0.00 54.13 52.56 3kjv s LEU 425 Cb -0.03 -2.56 0.07 0.00 0.03 0.00 0.00 46.19 43.70 3kjv s LEU 425 CO 0.03 -0.86 0.51 0.79 0.23 0.00 0.00 176.35 177.05 3kjv n TRP 426 N 6.27 0.00 0.00 0.29 7.02 -1.26 -4.64 117.44 125.12 3kjv n TRP 426 Ca -0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.44 3kjv n TRP 426 Cb 0.46 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.35 3kjv n TRP 426 CO 0.00 0.00 0.00 2.48 -2.02 0.00 0.00 177.69 178.15 3kjv n TYR 427 N -0.54 0.00 -4.17 -5.99 4.11 -1.26 -4.61 117.16 104.71 3kjv n TYR 427 Ca 0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.60 3kjv n TYR 427 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.26 3kjv n TYR 427 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 3kjv s GLN 428 N -1.66 2.55 0.38 -3.48 -1.52 -1.26 -5.00 119.66 109.66 3kjv s GLN 428 Ca 0.00 -0.82 -0.11 0.00 -1.95 0.00 0.00 55.36 52.48 3kjv s GLN 428 Cb 0.00 -2.54 -0.07 0.00 -0.22 0.00 0.00 33.01 30.18 3kjv s GLN 428 CO 0.00 0.55 0.74 -0.51 -0.25 0.00 0.00 175.29 175.82 3kjv s LEU 429 N -2.17 3.90 0.19 2.90 1.43 -1.26 -4.61 118.68 119.06 3kjv s LEU 429 Ca 0.24 1.14 -0.29 0.00 -1.03 0.00 0.00 54.13 54.19 3kjv s LEU 429 Cb -0.12 -3.99 -0.08 0.00 0.03 0.00 0.00 46.19 42.03 3kjv s LEU 429 CO 0.17 -0.34 0.90 -1.61 0.23 0.00 0.00 176.35 175.70 3kjv s GLU 430 N -3.62 4.75 0.52 1.70 0.41 0.19 -4.95 118.70 117.70 3kjv s GLU 430 Ca 0.51 1.39 0.31 0.00 -0.41 0.00 0.00 54.97 56.77 3kjv s GLU 430 Cb -0.10 -3.30 1.10 0.00 -1.78 0.00 0.00 34.13 30.05 3kjv s GLU 430 CO 0.28 0.47 1.89 0.87 -0.49 0.00 0.00 175.26 178.27 3kjv h LYS 431 N 4.50 0.00 -4.65 1.61 1.57 -1.98 -3.42 116.57 114.21 3kjv h LYS 431 Ca -0.45 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 57.98 3kjv h LYS 431 Cb 1.20 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.25 3kjv h LYS 431 CO 0.68 0.00 -0.76 -1.21 -0.57 0.00 0.00 179.45 177.59 3kjv s GLU 432 N -3.54 0.61 0.80 3.15 8.01 -1.26 -5.10 118.70 121.37 3kjv s GLU 432 Ca 0.03 -0.46 -0.11 0.00 0.01 0.00 0.00 54.97 54.44 3kjv s GLU 432 Cb 0.08 -0.54 0.08 0.00 -4.31 0.00 0.00 34.13 29.44 3kjv s GLU 432 CO 0.57 0.14 1.12 -1.25 0.01 0.00 0.00 175.26 175.85 3kjv s PRO 433 N -0.68 1.91 -0.39 0.39 0.04 -1.26 -4.79 135.00 130.21 3kjv s PRO 433 Ca -0.01 1.36 -0.12 0.00 0.04 0.00 0.00 61.00 62.27 3kjv s PRO 433 Cb -0.05 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 32.68 3kjv s PRO 433 CO 0.00 -1.93 0.24 0.42 0.04 0.00 0.00 177.00 175.77 3kjv s ILE 434 N -2.70 4.70 0.21 0.56 1.01 -1.26 -5.04 121.20 118.67 3kjv s ILE 434 Ca 0.64 -0.91 -0.32 0.00 0.00 0.00 0.00 60.65 60.06 3kjv s ILE 434 Cb -0.20 -3.67 -0.12 0.00 0.01 0.00 0.00 42.46 38.48 3kjv s ILE 434 CO 0.54 -0.31 1.73 0.52 0.00 0.00 0.00 174.94 177.42 3kjv n VAL 435 N 5.03 0.01 0.00 2.92 0.31 -1.26 -2.00 118.33 123.34 3kjv n VAL 435 Ca -0.11 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 3kjv n VAL 435 Cb 0.46 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 3kjv n VAL 435 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kjv n GLY 436 N 3.97 3.16 3.71 2.92 0.00 -1.26 -5.05 105.19 112.64 3kjv n GLY 436 Ca 0.16 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 3kjv n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kjv s ALA 437 N -0.04 3.62 0.06 4.61 0.00 -0.85 -4.93 121.76 124.23 3kjv s ALA 437 Ca 0.00 1.10 -0.27 0.00 0.00 0.00 0.00 51.96 52.79 3kjv s ALA 437 Cb 0.00 -3.58 -0.14 0.00 0.00 0.00 0.00 23.12 19.40 3kjv s ALA 437 CO 0.00 -0.76 0.66 0.39 0.00 0.00 0.00 175.76 176.05 3kjv n GLU 438 N 4.47 0.00 -3.46 0.00 1.02 -1.26 -4.55 120.64 116.87 3kjv n GLU 438 Ca 0.13 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.84 3kjv n GLU 438 Cb 0.42 -1.00 -0.10 0.00 -0.02 0.00 0.00 31.44 30.74 3kjv n GLU 438 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3kjv s THR 439 N -0.30 5.25 -0.15 2.62 2.01 -1.26 -2.46 115.64 121.36 3kjv s THR 439 Ca 0.62 -0.64 -0.19 0.00 0.31 0.00 0.00 61.69 61.79 3kjv s THR 439 Cb -0.87 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 67.67 3kjv s THR 439 CO 0.43 -0.31 0.52 -0.36 -0.69 0.00 0.00 174.62 174.21 3kjv s PHE 440 N 1.70 3.45 -0.38 4.92 0.40 0.58 -3.07 117.98 125.58 3kjv s PHE 440 Ca 0.05 0.87 -0.11 0.00 -0.60 0.00 0.00 56.93 57.14 3kjv s PHE 440 Cb -0.19 -2.63 0.03 0.00 0.51 0.00 0.00 43.02 40.73 3kjv s PHE 440 CO 0.10 0.03 0.21 0.71 0.70 0.00 0.00 175.22 176.97 3kjv s TYR 441 N 1.14 3.25 0.30 0.36 1.51 -0.37 0.12 117.35 123.65 3kjv s TYR 441 Ca 0.26 -0.96 0.07 0.00 -1.01 0.00 0.00 57.07 55.43 3kjv s TYR 441 Cb -0.15 -2.45 -0.03 0.00 -0.11 0.00 0.00 41.96 39.22 3kjv s TYR 441 CO 0.10 -0.65 0.30 0.14 -1.11 0.00 0.00 175.55 174.34 3kjv s VAL 442 N 1.56 4.08 -0.30 0.71 -7.23 -0.63 -2.83 120.40 115.77 3kjv s VAL 442 Ca 0.02 -1.28 -0.23 0.00 -1.81 0.00 0.00 61.98 58.68 3kjv s VAL 442 Cb -0.19 -3.36 0.20 0.00 0.56 0.00 0.00 36.38 33.59 3kjv s VAL 442 CO 0.07 -0.24 1.45 -0.62 -0.31 0.00 0.00 175.10 175.45 3kjv s ASP 443 N -3.98 -0.01 0.15 4.85 2.15 -1.17 -4.34 116.67 114.33 3kjv s ASP 443 Ca 0.38 0.02 0.07 0.00 0.43 0.00 0.00 52.55 53.45 3kjv s ASP 443 Cb -0.07 0.22 -0.04 0.00 -0.30 0.00 0.00 42.92 42.72 3kjv s ASP 443 CO 0.27 -0.00 -0.15 -0.83 -0.17 0.00 0.00 175.17 174.28 3kjv s GLY 444 N 0.20 1.24 0.17 2.66 0.00 -1.26 -3.11 107.32 107.23 3kjv s GLY 444 Ca 0.05 -1.43 0.01 0.00 0.00 0.00 0.00 44.72 43.34 3kjv s GLY 444 CO -0.15 -1.50 0.03 0.00 0.00 0.00 0.00 173.10 171.48 3kjv s ALA 445 N -2.31 1.22 -0.29 3.20 0.00 0.47 -4.61 121.76 119.44 3kjv s ALA 445 Ca 0.14 -1.58 -0.15 0.00 0.00 0.00 0.00 51.96 50.37 3kjv s ALA 445 Cb -0.04 0.71 0.12 0.00 0.00 0.00 0.00 23.12 23.91 3kjv s ALA 445 CO 0.05 -0.39 0.82 0.00 0.00 0.00 0.00 175.76 176.24 3kjv s ALA 446 N -3.80 -2.11 -0.14 0.00 0.00 -1.26 0.39 121.76 114.83 3kjv s ALA 446 Ca 0.25 2.31 -0.29 0.00 0.00 0.00 0.00 51.96 54.23 3kjv s ALA 446 Cb 0.07 -1.61 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 3kjv s ALA 446 CO 0.04 -0.44 1.16 1.21 0.00 0.00 0.00 175.76 177.73 3kjv s ASN 447 N 1.66 7.05 0.29 0.00 2.47 0.12 -4.70 114.94 121.83 3kjv s ASN 447 Ca -0.09 1.64 0.25 0.00 0.42 0.00 0.00 52.86 55.08 3kjv s ASN 447 Cb -0.05 -2.55 0.72 0.00 -1.45 0.00 0.00 41.25 37.93 3kjv s ASN 447 CO -0.18 -0.65 1.74 0.08 -3.72 0.00 0.00 177.10 174.37 3kjv h ARG 448 N 7.68 0.00 0.29 0.43 0.11 -1.93 1.09 114.38 122.05 3kjv h ARG 448 Ca -0.28 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.79 3kjv h ARG 448 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 3kjv h ARG 448 CO 0.93 0.00 -0.14 0.93 0.10 0.00 0.00 179.97 181.79 3kjv h GLU 449 N 0.00 -0.38 0.00 0.08 4.39 -1.97 -3.38 114.58 113.33 3kjv h GLU 449 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3kjv h GLU 449 Cb 0.77 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 3kjv h GLU 449 CO 0.00 -0.25 -0.37 0.25 -1.16 0.00 0.00 179.01 177.47 3kjv n THR 450 N -4.97 0.45 -1.86 1.13 -2.24 -1.18 -4.90 114.28 100.71 3kjv n THR 450 Ca -0.05 -0.28 -0.20 0.00 -2.27 0.00 0.00 64.05 61.25 3kjv n THR 450 Cb 0.15 -0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.01 3kjv n THR 450 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kjv n LYS 451 N -2.17 -1.54 -3.83 -0.78 4.76 0.37 -4.83 118.16 110.14 3kjv n LYS 451 Ca 0.04 1.11 -0.35 0.00 -2.87 0.00 0.00 58.31 56.24 3kjv n LYS 451 Cb 0.44 -5.58 -0.05 0.00 -1.84 0.00 0.00 35.03 27.99 3kjv n LYS 451 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3kjv s LEU 452 N -5.11 4.38 0.00 -0.35 2.01 -1.22 -0.78 118.68 117.61 3kjv s LEU 452 Ca 0.00 0.48 0.00 0.00 0.01 0.00 0.00 54.13 54.62 3kjv s LEU 452 Cb 0.00 -2.49 0.00 0.00 0.01 0.00 0.00 46.19 43.71 3kjv s LEU 452 CO 0.00 0.30 0.00 0.61 1.01 0.00 0.00 176.35 178.27 3kjv n GLY 453 N 1.31 5.09 3.64 -3.19 0.00 -0.83 0.12 105.19 111.33 3kjv n GLY 453 Ca -0.14 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 3kjv n GLY 453 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kjv s LYS 454 N -0.50 0.63 0.06 1.61 3.01 0.16 -3.32 119.74 121.40 3kjv s LYS 454 Ca 0.00 0.75 0.02 0.00 -1.01 0.00 0.00 55.97 55.73 3kjv s LYS 454 Cb 0.00 0.30 -0.03 0.00 -1.01 0.00 0.00 37.83 37.09 3kjv s LYS 454 CO 0.00 -0.08 -0.06 0.00 0.51 0.00 0.00 175.35 175.72 3kjv s ALA 455 N 0.30 0.69 0.00 5.17 0.00 -0.35 -0.39 121.76 127.17 3kjv s ALA 455 Ca 0.02 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3kjv s ALA 455 Cb -0.05 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.19 3kjv s ALA 455 CO -0.04 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 175.98 3kjv n GLY 456 N 0.74 -1.00 3.43 0.00 0.00 -1.18 -1.26 105.19 105.91 3kjv n GLY 456 Ca -0.18 -1.03 -0.16 0.00 0.00 0.00 0.00 46.02 44.66 3kjv n GLY 456 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kjv s TYR 457 N -2.00 1.27 -0.30 1.61 -0.85 -1.21 -3.02 117.35 112.85 3kjv s TYR 457 Ca 0.00 -1.40 -0.14 0.00 -0.52 0.00 0.00 57.07 55.00 3kjv s TYR 457 Cb 0.00 -0.27 0.18 0.00 0.38 0.00 0.00 41.96 42.25 3kjv s TYR 457 CO 0.00 -1.06 1.06 0.08 -1.52 0.00 0.00 175.55 174.12 3kjv s VAL 458 N -3.17 -0.35 0.42 -3.49 1.01 -1.13 -3.39 120.40 110.30 3kjv s VAL 458 Ca 0.34 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.39 3kjv s VAL 458 Cb 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 3kjv s VAL 458 CO 0.22 0.00 0.16 0.42 0.00 0.00 0.00 175.10 175.91 3kjv s THR 459 N 2.69 2.21 0.05 3.92 -4.23 -0.80 -1.23 115.64 118.26 3kjv s THR 459 Ca -0.01 -1.73 -0.21 0.00 -1.18 0.00 0.00 61.69 58.56 3kjv s THR 459 Cb -0.08 -2.95 -0.13 0.00 1.34 0.00 0.00 72.50 70.69 3kjv s THR 459 CO -0.14 0.00 1.48 -0.55 -0.54 0.00 0.00 174.62 174.87 3kjv h ASN 460 N 1.44 0.24 0.00 3.99 -1.07 -1.91 0.70 115.58 118.97 3kjv h ASN 460 Ca -0.43 -0.31 0.00 0.00 0.07 0.00 0.00 56.30 55.63 3kjv h ASN 460 Cb 1.25 -0.07 0.00 0.00 -2.07 0.00 0.00 38.32 37.44 3kjv h ASN 460 CO 0.71 0.50 0.00 0.54 0.07 0.00 0.00 177.43 179.25 3kjv n ARG 461 N -4.76 0.00 -1.69 4.14 1.74 -1.26 -4.76 116.66 110.06 3kjv n ARG 461 Ca -0.05 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.98 3kjv n ARG 461 Cb 0.21 -1.20 -0.01 0.00 -1.02 0.00 0.00 32.46 30.45 3kjv n ARG 461 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kjv n GLY 462 N -0.54 0.41 3.91 -0.13 0.00 0.24 -5.03 105.19 104.04 3kjv n GLY 462 Ca 0.00 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 3kjv n GLY 462 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kjv s ARG 463 N -3.46 3.61 -0.29 1.61 0.52 -1.25 -4.81 118.95 114.88 3kjv s ARG 463 Ca 0.00 -0.10 0.01 0.00 -0.52 0.00 0.00 55.73 55.12 3kjv s ARG 463 Cb 0.00 -2.75 0.18 0.00 0.52 0.00 0.00 34.95 32.90 3kjv s ARG 463 CO 0.00 0.34 0.53 -0.65 0.02 0.00 0.00 175.30 175.54 3kjv s GLN 464 N -3.21 0.50 0.66 3.54 -0.21 -1.26 -1.90 119.66 117.78 3kjv s GLN 464 Ca 0.42 0.69 0.01 0.00 0.02 0.00 0.00 55.36 56.51 3kjv s GLN 464 Cb -0.11 0.17 0.10 0.00 1.00 0.00 0.00 33.01 34.17 3kjv s GLN 464 CO 0.28 -0.78 0.91 0.15 -2.12 0.00 0.00 175.29 173.72 3kjv s LYS 465 N 2.75 1.98 -0.36 2.91 1.02 -1.22 -4.97 119.74 121.85 3kjv s LYS 465 Ca 0.15 -1.13 -0.04 0.00 0.02 0.00 0.00 55.97 54.98 3kjv s LYS 465 Cb -0.14 -2.42 0.23 0.00 -0.52 0.00 0.00 37.83 34.98 3kjv s LYS 465 CO -0.22 -1.18 1.10 1.55 -0.92 0.00 0.00 175.35 175.68 3kjv n VAL 466 N -2.62 0.00 -2.55 3.17 3.14 -1.26 -3.34 118.33 114.87 3kjv n VAL 466 Ca 0.13 -0.44 -0.42 0.00 -2.96 0.00 0.00 64.34 60.66 3kjv n VAL 466 Cb 0.60 0.80 -0.03 0.00 -1.06 0.00 0.00 33.84 34.15 3kjv n VAL 466 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 3kjv s VAL 467 N 0.72 4.42 -0.32 1.55 -7.23 -0.39 -4.85 120.40 114.31 3kjv s VAL 467 Ca 0.25 1.74 -0.20 0.00 -1.81 0.00 0.00 61.98 61.95 3kjv s VAL 467 Cb 0.14 -4.11 -0.01 0.00 0.56 0.00 0.00 36.38 32.97 3kjv s VAL 467 CO -0.10 0.13 0.64 0.42 -0.31 0.00 0.00 175.10 175.87 3kjv s THR 468 N 1.12 4.92 0.61 5.32 -4.23 -1.26 -1.21 115.64 120.90 3kjv s THR 468 Ca 0.55 0.80 -0.01 0.00 -1.18 0.00 0.00 61.69 61.86 3kjv s THR 468 Cb -0.25 -4.02 0.05 0.00 1.34 0.00 0.00 72.50 69.61 3kjv s THR 468 CO 0.28 -0.19 0.86 -0.76 -0.54 0.00 0.00 174.62 174.27 3kjv s LEU 469 N 2.65 3.12 0.12 4.79 2.01 -1.21 -4.94 118.68 125.22 3kjv s LEU 469 Ca 0.25 0.08 -0.06 0.00 0.01 0.00 0.00 54.13 54.41 3kjv s LEU 469 Cb -0.15 -2.85 -0.02 0.00 0.01 0.00 0.00 46.19 43.19 3kjv s LEU 469 CO 0.13 -1.34 0.15 0.28 1.01 0.00 0.00 176.35 176.58 3kjv s THR 470 N -2.93 0.12 -0.58 5.49 -1.32 -1.26 -1.96 115.64 113.20 3kjv s THR 470 Ca 0.59 -1.53 -0.25 0.00 -1.21 0.00 0.00 61.69 59.29 3kjv s THR 470 Cb -0.10 -1.70 0.04 0.00 -1.51 0.00 0.00 72.50 69.23 3kjv s THR 470 CO 0.41 -0.55 0.65 -0.67 -2.21 0.00 0.00 174.62 172.24 3kjv n ASP 471 N -0.09 -5.41 -3.19 8.08 -0.08 0.04 -4.94 116.55 110.95 3kjv n ASP 471 Ca -0.10 -0.40 -0.12 0.00 -1.51 0.00 0.00 54.79 52.66 3kjv n ASP 471 Cb 0.63 -1.85 -0.02 0.00 2.34 0.00 0.00 41.12 42.21 3kjv n ASP 471 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 3kjv s THR 472 N -2.03 0.00 0.21 5.18 -1.32 -1.06 -5.06 115.64 111.56 3kjv s THR 472 Ca 0.25 -1.39 0.06 0.00 -1.21 0.00 0.00 61.69 59.40 3kjv s THR 472 Cb -0.03 -2.68 -0.05 0.00 -1.51 0.00 0.00 72.50 68.23 3kjv s THR 472 CO 0.88 0.00 -0.08 0.42 -2.21 0.00 0.00 174.62 173.63 3kjv s THR 473 N -2.88 1.40 0.06 5.08 -4.23 -1.26 -4.78 115.64 109.02 3kjv s THR 473 Ca 0.25 -2.11 -0.30 0.00 -1.18 0.00 0.00 61.69 58.35 3kjv s THR 473 Cb -0.02 -2.14 -0.18 0.00 1.34 0.00 0.00 72.50 71.50 3kjv s THR 473 CO 0.17 -0.51 1.53 0.78 -0.54 0.00 0.00 174.62 176.05 3kjv h ASN 474 N 2.54 -0.61 -0.97 3.99 2.35 -1.91 -2.48 115.58 118.49 3kjv h ASN 474 Ca -0.38 -0.01 0.31 0.00 -0.55 0.00 0.00 56.30 55.67 3kjv h ASN 474 Cb 1.22 0.16 -0.17 0.00 0.05 0.00 0.00 38.32 39.57 3kjv h ASN 474 CO 0.64 -0.38 0.25 1.56 -1.65 0.00 0.00 177.43 177.86 3kjv h GLN 475 N -0.80 0.06 0.15 0.81 7.50 -1.97 -1.60 115.11 119.26 3kjv h GLN 475 Ca -0.07 -0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.07 3kjv h GLN 475 Cb 0.59 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.10 3kjv h GLN 475 CO 0.12 0.04 -0.07 0.87 -1.50 0.00 0.00 178.83 178.29 3kjv h LYS 476 N 0.06 -0.19 -0.73 1.46 1.57 -1.86 -2.80 116.57 114.09 3kjv h LYS 476 Ca 0.67 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.48 3kjv h LYS 476 Cb 1.53 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.85 3kjv h LYS 476 CO -0.81 -0.04 0.48 1.79 -0.57 0.00 0.00 179.45 180.30 3kjv h THR 477 N -0.30 1.17 0.00 -0.16 1.35 -1.04 0.93 112.91 114.86 3kjv h THR 477 Ca -0.02 -0.33 -0.03 0.00 -0.55 0.00 0.00 66.41 65.48 3kjv h THR 477 Cb 0.24 0.12 -0.00 0.00 -1.73 0.00 0.00 68.15 66.78 3kjv h THR 477 CO 0.03 0.18 -0.12 -0.08 -0.25 0.00 0.00 175.52 175.27 3kjv h GLU 478 N 0.96 0.00 0.00 4.72 4.57 -1.20 -0.18 114.58 123.45 3kjv h GLU 478 Ca 0.27 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.28 3kjv h GLU 478 Cb -0.08 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 3kjv h GLU 478 CO -0.06 0.12 -1.18 -0.07 -1.18 0.00 0.00 179.01 176.65 3kjv h LEU 479 N 0.00 0.00 -0.93 1.64 3.38 -0.75 -3.26 115.31 115.40 3kjv h LEU 479 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3kjv h LEU 479 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3kjv h LEU 479 CO 0.02 0.64 -0.24 1.56 0.09 0.00 0.00 178.44 180.50 3kjv h GLN 480 N 0.00 0.51 -0.12 1.13 1.08 0.27 -2.71 115.11 115.26 3kjv h GLN 480 Ca -0.12 -0.19 -0.08 0.00 -1.45 0.00 0.00 58.65 56.81 3kjv h GLN 480 Cb 1.59 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.99 3kjv h GLN 480 CO 0.06 0.71 -0.23 0.00 -0.95 0.00 0.00 178.83 178.43 3kjv h ALA 481 N 1.30 0.19 -0.89 3.87 0.00 -1.16 0.27 119.26 122.83 3kjv h ALA 481 Ca 0.07 -0.38 0.23 0.00 0.00 0.00 0.00 54.91 54.83 3kjv h ALA 481 Cb 0.66 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 3kjv h ALA 481 CO 0.05 0.15 0.61 0.82 0.00 0.00 0.00 179.25 180.88 3kjv h ILE 482 N -0.06 0.62 -0.05 0.00 2.04 -1.63 -0.48 117.51 117.95 3kjv h ILE 482 Ca 0.01 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 3kjv h ILE 482 Cb 0.81 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 3kjv h ILE 482 CO 0.05 0.04 -0.18 0.22 0.00 0.00 0.00 178.15 178.28 3kjv h TYR 483 N 0.23 0.29 -0.03 1.37 3.20 -0.75 -2.14 116.97 119.15 3kjv h TYR 483 Ca 0.45 -0.12 0.03 0.00 3.14 0.00 0.00 58.73 62.24 3kjv h TYR 483 Cb 1.40 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 39.56 3kjv h TYR 483 CO -0.00 0.81 -0.42 -0.07 -1.64 0.00 0.00 178.16 176.83 3kjv h LEU 484 N -0.31 -1.29 -0.75 2.82 3.38 -0.09 -2.67 115.31 116.40 3kjv h LEU 484 Ca -0.01 0.16 0.15 0.00 0.09 0.00 0.00 57.88 58.27 3kjv h LEU 484 Cb 0.82 0.51 -0.10 0.00 0.09 0.00 0.00 40.66 41.98 3kjv h LEU 484 CO 0.04 -0.45 0.28 0.00 0.09 0.00 0.00 178.44 178.39 3kjv h ALA 485 N -0.01 1.04 -0.11 1.53 0.00 -1.00 0.12 119.26 120.83 3kjv h ALA 485 Ca 0.05 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3kjv h ALA 485 Cb 0.65 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3kjv h ALA 485 CO -0.33 -0.24 -0.38 -0.07 0.00 0.00 0.00 179.25 178.23 3kjv h LEU 486 N 0.41 0.25 -1.57 0.00 3.38 -1.26 -0.91 115.31 115.61 3kjv h LEU 486 Ca 0.41 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3kjv h LEU 486 Cb 0.65 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3kjv h LEU 486 CO -0.42 0.61 0.00 0.00 0.09 0.00 0.00 178.44 178.72 3kjv n GLN 487 N -4.05 2.08 0.00 1.13 10.64 0.26 -3.49 117.38 123.95 3kjv n GLN 487 Ca -0.01 -1.57 0.04 0.00 -1.83 0.00 0.00 57.00 53.63 3kjv n GLN 487 Cb 0.45 -1.47 0.00 0.00 -0.86 0.00 0.00 30.24 28.37 3kjv n GLN 487 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3kjv n ASP 488 N 0.91 1.14 -4.90 2.61 8.00 -0.21 -5.01 116.55 119.09 3kjv n ASP 488 Ca 0.16 -1.07 -0.30 0.00 0.71 0.00 0.00 54.79 54.28 3kjv n ASP 488 Cb 0.51 0.40 -0.04 0.00 -0.02 0.00 0.00 41.12 41.96 3kjv n ASP 488 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3kjv s SER 489 N -1.07 6.51 0.25 -2.24 1.04 -0.36 -5.06 113.70 112.76 3kjv s SER 489 Ca 0.07 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.19 3kjv s SER 489 Cb 0.06 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 64.05 3kjv s SER 489 CO 0.18 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.96 3kjv n GLY 490 N -0.30 -0.80 0.20 7.32 0.00 -1.26 -4.93 105.19 105.42 3kjv n GLY 490 Ca -0.02 -1.65 0.14 0.00 0.00 0.00 0.00 46.02 44.50 3kjv n GLY 490 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kjv h LEU 491 N 0.00 0.00 -8.29 0.99 4.07 -1.95 -3.40 115.31 106.73 3kjv h LEU 491 Ca 0.00 0.00 -0.60 0.00 0.08 0.00 0.00 57.88 57.36 3kjv h LEU 491 Cb 0.00 0.00 -0.31 0.00 1.08 0.00 0.00 40.66 41.43 3kjv h LEU 491 CO 0.00 0.00 -0.85 -1.61 -1.08 0.00 0.00 178.44 174.90 3kjv s GLU 492 N -3.53 1.99 -0.24 1.13 2.02 -1.26 -0.58 118.70 118.23 3kjv s GLU 492 Ca 0.02 -0.68 -0.19 0.00 0.02 0.00 0.00 54.97 54.13 3kjv s GLU 492 Cb 0.09 -1.71 0.07 0.00 0.10 0.00 0.00 34.13 32.67 3kjv s GLU 492 CO 0.41 0.27 0.62 0.54 0.02 0.00 0.00 175.26 177.13 3kjv s VAL 493 N -0.00 -0.00 0.07 2.63 0.11 -1.14 -4.26 120.40 117.81 3kjv s VAL 493 Ca -0.04 0.01 -0.08 0.00 -2.93 0.00 0.00 61.98 58.94 3kjv s VAL 493 Cb -0.12 -0.88 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 3kjv s VAL 493 CO 0.03 0.00 0.36 0.20 -3.33 0.00 0.00 175.10 172.36 3kjv s ASN 494 N 0.76 6.57 -0.00 3.54 0.01 -1.03 -2.83 114.94 121.96 3kjv s ASN 494 Ca -0.03 0.68 0.05 0.00 -0.71 0.00 0.00 52.86 52.84 3kjv s ASN 494 Cb -0.05 -2.13 -0.01 0.00 0.41 0.00 0.00 41.25 39.46 3kjv s ASN 494 CO -0.06 0.17 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.93 3kjv s ILE 495 N -1.42 1.17 -0.28 0.60 1.01 -0.59 -0.31 121.20 121.38 3kjv s ILE 495 Ca 0.33 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 60.31 3kjv s ILE 495 Cb -0.13 -0.99 0.07 0.00 0.01 0.00 0.00 42.46 41.42 3kjv s ILE 495 CO 0.19 0.28 -0.07 -0.69 0.00 0.00 0.00 174.94 174.65 3kjv s VAL 496 N -0.43 2.14 0.07 2.92 1.01 0.31 -1.04 120.40 125.38 3kjv s VAL 496 Ca 0.05 -1.77 0.01 0.00 0.00 0.00 0.00 61.98 60.27 3kjv s VAL 496 Cb -0.06 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 3kjv s VAL 496 CO -0.00 -0.17 0.17 0.28 0.00 0.00 0.00 175.10 175.37 3kjv s THR 497 N 1.08 5.10 -0.74 3.92 -1.32 -0.76 -1.60 115.64 121.32 3kjv s THR 497 Ca -0.04 -0.53 0.25 0.00 -1.21 0.00 0.00 61.69 60.16 3kjv s THR 497 Cb -0.20 -3.48 0.06 0.00 -1.51 0.00 0.00 72.50 67.37 3kjv s THR 497 CO -0.06 0.13 1.38 -0.90 -2.21 0.00 0.00 174.62 172.96 3kjv n ASP 498 N 0.32 0.63 -4.59 8.08 5.68 -1.26 -2.95 116.55 122.45 3kjv n ASP 498 Ca -0.06 0.08 -0.41 0.00 -0.50 0.00 0.00 54.79 53.89 3kjv n ASP 498 Cb 0.51 0.12 -0.06 0.00 -1.14 0.00 0.00 41.12 40.55 3kjv n ASP 498 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3kjv s SER 499 N -3.92 6.51 0.27 -1.12 0.15 -1.26 -4.55 113.70 109.78 3kjv s SER 499 Ca 0.08 0.40 -0.03 0.00 0.70 0.00 0.00 55.95 57.10 3kjv s SER 499 Cb 0.14 -2.35 0.36 0.00 -1.71 0.00 0.00 66.02 62.47 3kjv s SER 499 CO 0.70 -0.54 1.89 1.56 1.20 0.00 0.00 173.24 178.05 3kjv h GLN 500 N 8.25 1.06 -0.84 5.44 4.20 -1.96 -1.84 115.11 129.43 3kjv h GLN 500 Ca -0.26 -0.12 0.15 0.00 0.06 0.00 0.00 58.65 58.48 3kjv h GLN 500 Cb 1.11 -0.21 -0.10 0.00 0.30 0.00 0.00 27.48 28.59 3kjv h GLN 500 CO 0.83 0.79 0.42 -0.92 -0.67 0.00 0.00 178.83 179.28 3kjv h TYR 501 N 1.07 0.74 0.01 2.96 3.20 -1.99 0.30 116.97 123.25 3kjv h TYR 501 Ca 0.27 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.13 3kjv h TYR 501 Cb 0.05 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.12 3kjv h TYR 501 CO 0.01 0.16 -0.19 0.00 -1.64 0.00 0.00 178.16 176.50 3kjv h ALA 502 N 1.57 0.01 -0.25 1.82 0.00 -1.91 -2.87 119.26 117.62 3kjv h ALA 502 Ca 0.46 -0.48 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3kjv h ALA 502 Cb 0.67 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3kjv h ALA 502 CO -0.37 0.05 0.18 1.25 0.00 0.00 0.00 179.25 180.35 3kjv h LEU 503 N -0.67 0.09 0.02 0.00 5.85 -0.74 -2.44 115.31 117.42 3kjv h LEU 503 Ca -0.03 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3kjv h LEU 503 Cb 1.01 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.02 3kjv h LEU 503 CO 0.04 0.06 -0.01 1.23 -0.34 0.00 0.00 178.44 179.42 3kjv h GLY 504 N 0.10 -0.02 0.42 3.75 0.00 -0.36 -2.49 103.07 104.47 3kjv h GLY 504 Ca 0.12 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.49 3kjv h GLY 504 CO -0.01 -0.01 -0.25 -2.22 0.00 0.00 0.00 176.54 174.05 3kjv h ILE 505 N -0.44 0.43 -0.06 2.60 2.04 -1.22 -3.27 117.51 117.59 3kjv h ILE 505 Ca -0.00 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.64 3kjv h ILE 505 Cb 0.43 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 3kjv h ILE 505 CO 0.00 0.00 -0.85 0.40 0.00 0.00 0.00 178.15 177.70 3kjv h ILE 506 N -0.38 1.35 -0.34 -0.67 2.04 -1.49 -2.12 117.51 115.91 3kjv h ILE 506 Ca 0.07 -2.23 0.10 0.00 1.00 0.00 0.00 64.86 63.80 3kjv h ILE 506 Cb 0.46 2.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 3kjv h ILE 506 CO -0.23 0.68 0.33 1.56 0.00 0.00 0.00 178.15 180.49 3kjv h GLN 507 N 0.33 0.00 0.00 2.37 4.20 -1.53 -1.25 115.11 119.22 3kjv h GLN 507 Ca -0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3kjv h GLN 507 Cb 1.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.25 3kjv h GLN 507 CO 0.16 0.00 -0.18 0.00 -0.67 0.00 0.00 178.83 178.13 3kjv n ALA 508 N -2.42 2.65 -2.46 3.87 0.00 -0.80 -4.95 120.51 116.41 3kjv n ALA 508 Ca 0.05 -0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.26 3kjv n ALA 508 Cb 0.49 -1.36 0.04 0.00 0.00 0.00 0.00 19.45 18.62 3kjv n ALA 508 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kjv n GLN 509 N -1.72 -1.28 -2.34 0.00 6.02 -0.47 -4.79 117.38 112.80 3kjv n GLN 509 Ca 0.06 0.47 -0.39 0.00 -0.01 0.00 0.00 57.00 57.14 3kjv n GLN 509 Cb 0.37 -3.88 -0.03 0.00 1.02 0.00 0.00 30.24 27.72 3kjv n GLN 509 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3kjv s PRO 510 N -3.78 4.26 -0.00 -1.09 0.04 -1.26 -4.35 135.00 128.82 3kjv s PRO 510 Ca 0.25 1.85 0.06 0.00 0.04 0.00 0.00 61.00 63.20 3kjv s PRO 510 Cb -0.03 -2.85 -0.07 0.00 0.04 0.00 0.00 34.50 31.59 3kjv s PRO 510 CO 0.40 -0.15 0.24 -0.40 0.04 0.00 0.00 177.00 177.14 3kjv n ASP 511 N 0.45 0.63 -3.66 6.66 5.68 -0.68 -4.90 116.55 120.73 3kjv n ASP 511 Ca 0.02 -0.57 -0.13 0.00 -0.50 0.00 0.00 54.79 53.61 3kjv n ASP 511 Cb 0.46 1.03 -0.07 0.00 -1.14 0.00 0.00 41.12 41.40 3kjv n ASP 511 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kjv s GLN 512 N -1.66 0.90 0.25 0.11 -2.07 -1.13 -5.03 119.66 111.04 3kjv s GLN 512 Ca 0.02 -0.28 -0.20 0.00 -1.82 0.00 0.00 55.36 53.08 3kjv s GLN 512 Cb 0.04 0.41 0.02 0.00 -1.09 0.00 0.00 33.01 32.39 3kjv s GLN 512 CO 0.25 -0.30 0.64 -1.54 -1.32 0.00 0.00 175.29 173.02 3kjv s SER 513 N -1.83 -0.27 0.41 12.60 1.04 -1.26 -2.03 113.70 122.35 3kjv s SER 513 Ca -0.07 -0.56 0.28 0.00 0.48 0.00 0.00 55.95 56.08 3kjv s SER 513 Cb -0.01 0.67 1.08 0.00 0.10 0.00 0.00 66.02 67.86 3kjv s SER 513 CO -0.00 -1.23 1.83 -0.33 0.98 0.00 0.00 173.24 174.49 3kjv h GLU 514 N 2.06 0.00 -6.04 4.02 5.08 -1.09 -3.45 114.58 115.15 3kjv h GLU 514 Ca -0.23 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.55 3kjv h GLU 514 Cb 1.26 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.45 3kjv h GLU 514 CO 0.29 0.00 -0.09 0.45 -1.00 0.00 0.00 179.01 178.65 3kjv s SER 515 N -5.12 6.90 0.16 1.42 0.15 -1.26 -4.97 113.70 110.97 3kjv s SER 515 Ca 0.04 1.07 -0.09 0.00 0.70 0.00 0.00 55.95 57.67 3kjv s SER 515 Cb 0.09 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 3kjv s SER 515 CO 0.51 0.19 1.50 -0.08 1.20 0.00 0.00 173.24 176.56 3kjv h GLU 516 N 5.31 0.91 -0.25 5.44 4.57 -1.99 -1.63 114.58 126.93 3kjv h GLU 516 Ca -0.47 -0.46 0.03 0.00 -1.18 0.00 0.00 59.36 57.28 3kjv h GLU 516 Cb 1.20 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.77 3kjv h GLU 516 CO 0.67 1.11 0.07 1.25 -1.18 0.00 0.00 179.01 180.93 3kjv h LEU 517 N 0.75 0.05 -0.78 1.64 5.85 -1.99 -1.98 115.31 118.85 3kjv h LEU 517 Ca 0.07 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 3kjv h LEU 517 Cb 0.94 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 3kjv h LEU 517 CO 0.09 0.06 -0.54 0.58 -0.34 0.00 0.00 178.44 178.29 3kjv h VAL 518 N 0.17 1.23 -0.51 1.05 2.07 -1.94 -0.83 116.25 117.50 3kjv h VAL 518 Ca 0.11 -1.95 -0.10 0.00 0.82 0.00 0.00 66.70 65.58 3kjv h VAL 518 Cb 0.10 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 3kjv h VAL 518 CO -0.13 0.53 -0.09 0.78 0.02 0.00 0.00 177.57 178.67 3kjv h ASN 519 N 0.00 0.92 0.17 0.57 2.35 -1.00 -0.50 115.58 118.09 3kjv h ASN 519 Ca -0.01 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.45 3kjv h ASN 519 Cb 1.05 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.17 3kjv h ASN 519 CO 0.07 1.03 -0.08 1.56 -1.65 0.00 0.00 177.43 178.36 3kjv h GLN 520 N 0.83 -0.22 -0.02 0.81 4.20 -1.20 -2.19 115.11 117.34 3kjv h GLN 520 Ca 0.14 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3kjv h GLN 520 Cb 0.62 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.45 3kjv h GLN 520 CO 0.04 0.16 0.32 0.82 -0.67 0.00 0.00 178.83 179.50 3kjv h ILE 521 N -0.65 0.02 0.18 2.54 2.04 -1.01 0.87 117.51 121.49 3kjv h ILE 521 Ca -0.02 0.00 -0.27 0.00 1.00 0.00 0.00 64.86 65.56 3kjv h ILE 521 Cb 0.48 0.68 0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3kjv h ILE 521 CO 0.04 0.00 -1.25 0.40 0.00 0.00 0.00 178.15 177.33 3kjv h ILE 522 N 0.00 1.28 -0.01 -0.67 2.04 -0.96 -3.00 117.51 116.20 3kjv h ILE 522 Ca 0.01 -2.56 0.00 0.00 1.00 0.00 0.00 64.86 63.31 3kjv h ILE 522 Cb 0.65 3.01 -0.00 0.00 -0.74 0.00 0.00 36.82 39.74 3kjv h ILE 522 CO -0.00 0.76 -0.02 -0.08 0.00 0.00 0.00 178.15 178.81 3kjv h GLU 523 N -0.13 -0.02 -0.37 2.37 4.81 0.14 -1.30 114.58 120.07 3kjv h GLU 523 Ca -0.23 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.11 3kjv h GLU 523 Cb 1.89 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.26 3kjv h GLU 523 CO 0.18 -0.01 0.40 1.96 -0.73 0.00 0.00 179.01 180.81 3kjv h GLN 524 N -0.02 0.00 -0.04 1.92 1.08 -1.38 0.49 115.11 117.16 3kjv h GLN 524 Ca 0.00 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.01 3kjv h GLN 524 Cb 0.03 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 3kjv h GLN 524 CO -0.02 0.00 -0.80 -0.07 -0.95 0.00 0.00 178.83 176.99 3kjv h LEU 525 N 0.00 0.44 -0.10 1.46 3.38 -1.12 -2.66 115.31 116.71 3kjv h LEU 525 Ca 0.18 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3kjv h LEU 525 Cb 0.98 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 3kjv h LEU 525 CO -0.00 1.08 -0.10 0.40 0.09 0.00 0.00 178.44 179.91 3kjv h ILE 526 N 0.23 1.36 -0.31 1.22 2.04 0.03 -2.96 117.51 119.13 3kjv h ILE 526 Ca -0.04 -1.25 0.09 0.00 1.00 0.00 0.00 64.86 64.66 3kjv h ILE 526 Cb 1.40 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 39.43 3kjv h ILE 526 CO 0.13 0.35 0.39 0.11 0.00 0.00 0.00 178.15 179.14 3kjv h LYS 527 N -0.17 0.00 -7.44 2.37 1.57 -1.45 -3.44 116.57 108.01 3kjv h LYS 527 Ca 0.02 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.33 3kjv h LYS 527 Cb 0.61 0.00 0.14 0.00 0.08 0.00 0.00 32.23 33.06 3kjv h LYS 527 CO 0.02 0.00 0.27 0.15 -0.57 0.00 0.00 179.45 179.33 3kjv s LYS 528 N -4.53 1.06 -0.19 3.15 3.01 -1.01 -4.98 119.74 116.26 3kjv s LYS 528 Ca -0.04 0.41 -0.05 0.00 -1.01 0.00 0.00 55.97 55.27 3kjv s LYS 528 Cb 0.14 -1.82 -0.09 0.00 -1.01 0.00 0.00 37.83 35.05 3kjv s LYS 528 CO 0.50 -2.27 -0.21 0.39 0.51 0.00 0.00 175.35 174.26 3kjv n GLU 529 N -3.84 0.42 -3.74 1.68 -0.58 0.25 -4.98 120.64 109.84 3kjv n GLU 529 Ca 0.06 0.15 -0.12 0.00 -0.42 0.00 0.00 57.16 56.83 3kjv n GLU 529 Cb 0.58 -1.24 -0.13 0.00 -0.57 0.00 0.00 31.44 30.08 3kjv n GLU 529 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3kjv s LYS 530 N -2.35 0.21 0.10 3.49 1.02 -1.19 -5.04 119.74 115.98 3kjv s LYS 530 Ca -0.25 0.48 0.10 0.00 0.02 0.00 0.00 55.97 56.31 3kjv s LYS 530 Cb 0.09 -0.07 -0.04 0.00 -0.52 0.00 0.00 37.83 37.29 3kjv s LYS 530 CO 0.36 -0.14 -0.25 0.08 -0.92 0.00 0.00 175.35 174.48 3kjv s VAL 531 N 1.02 2.11 -0.23 3.17 1.01 -1.26 -2.89 120.40 123.32 3kjv s VAL 531 Ca -0.07 -1.60 -0.01 0.00 0.00 0.00 0.00 61.98 60.30 3kjv s VAL 531 Cb -0.09 -1.85 0.06 0.00 0.00 0.00 0.00 36.38 34.50 3kjv s VAL 531 CO -0.07 0.14 -0.01 -0.47 0.00 0.00 0.00 175.10 174.69 3kjv s TYR 532 N -1.00 1.87 -0.23 5.22 6.14 -1.13 0.53 117.35 128.75 3kjv s TYR 532 Ca 0.12 -1.45 -0.14 0.00 0.64 0.00 0.00 57.07 56.24 3kjv s TYR 532 Cb -0.10 -1.41 -0.04 0.00 0.42 0.00 0.00 41.96 40.83 3kjv s TYR 532 CO 0.05 -0.72 0.34 -1.17 0.64 0.00 0.00 175.55 174.68 3kjv s LEU 533 N 1.57 4.10 0.03 6.97 2.96 -1.26 -1.54 118.68 131.51 3kjv s LEU 533 Ca -0.03 0.35 0.04 0.00 -0.22 0.00 0.00 54.13 54.27 3kjv s LEU 533 Cb -0.18 -2.40 -0.02 0.00 0.50 0.00 0.00 46.19 44.09 3kjv s LEU 533 CO -0.08 -0.09 -0.12 0.00 -1.32 0.00 0.00 176.35 174.74 3kjv s ALA 534 N 1.54 0.98 0.18 5.97 0.00 -0.20 -4.99 121.76 125.24 3kjv s ALA 534 Ca 0.15 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.47 3kjv s ALA 534 Cb -0.15 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 3kjv s ALA 534 CO 0.08 0.18 0.08 -0.46 0.00 0.00 0.00 175.76 175.64 3kjv s TRP 535 N -0.75 3.00 -0.09 0.00 -0.00 -1.26 -1.83 118.94 118.00 3kjv s TRP 535 Ca 0.01 -0.09 -0.19 0.00 -0.00 0.00 0.00 56.10 55.82 3kjv s TRP 535 Cb -0.07 -1.43 0.04 0.00 -0.00 0.00 0.00 33.47 32.02 3kjv s TRP 535 CO 0.01 0.53 0.47 0.14 -0.00 0.00 0.00 176.95 178.09 3kjv s VAL 536 N -1.82 0.02 0.32 5.86 -7.23 -1.15 -4.96 120.40 111.44 3kjv s VAL 536 Ca 0.30 -0.17 -0.28 0.00 -1.81 0.00 0.00 61.98 60.01 3kjv s VAL 536 Cb -0.09 -0.73 -0.10 0.00 0.56 0.00 0.00 36.38 36.02 3kjv s VAL 536 CO 0.21 -0.10 1.18 -2.84 -0.31 0.00 0.00 175.10 173.25 3kjv s PRO 537 N -0.65 4.44 0.44 4.82 0.02 -1.26 -4.37 135.00 138.43 3kjv s PRO 537 Ca -0.07 1.95 -0.22 0.00 0.02 0.00 0.00 61.00 62.68 3kjv s PRO 537 Cb -0.03 -3.05 -0.09 0.00 0.02 0.00 0.00 34.50 31.34 3kjv s PRO 537 CO 0.04 -0.02 1.02 0.00 -0.33 0.00 0.00 177.00 177.71 3kjv s ALA 538 N -1.20 3.00 -1.45 -1.55 0.00 -1.26 -3.99 121.76 115.30 3kjv s ALA 538 Ca 0.48 0.58 -0.04 0.00 0.00 0.00 0.00 51.96 52.99 3kjv s ALA 538 Cb -0.34 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3kjv s ALA 538 CO 0.45 -0.15 0.51 0.72 0.00 0.00 0.00 175.76 177.28 3kjv n HIS 539 N -0.52 -1.72 -1.62 0.00 8.25 -1.26 -4.89 115.22 113.47 3kjv n HIS 539 Ca 0.07 0.43 0.06 0.00 -0.26 0.00 0.00 57.72 58.02 3kjv n HIS 539 Cb 0.52 -4.17 0.12 0.00 1.12 0.00 0.00 29.99 27.57 3kjv n HIS 539 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kjv n LYS 540 N -3.67 0.93 -3.06 -0.41 4.76 -1.26 -5.04 118.16 110.42 3kjv n LYS 540 Ca -0.12 -2.40 -0.10 0.00 -2.87 0.00 0.00 58.31 52.82 3kjv n LYS 540 Cb 0.62 -1.12 0.05 0.00 -1.84 0.00 0.00 35.03 32.74 3kjv n LYS 540 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kjv n GLY 541 N -0.78 -1.04 3.46 0.72 0.00 -1.26 -5.03 105.19 101.26 3kjv n GLY 541 Ca 0.12 0.49 -0.27 0.00 0.00 0.00 0.00 46.02 46.37 3kjv n GLY 541 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kjv s ILE 542 N -3.26 2.58 -0.26 -0.61 1.01 -1.26 -4.95 121.20 114.45 3kjv s ILE 542 Ca 0.31 -1.95 -0.16 0.00 0.00 0.00 0.00 60.65 58.85 3kjv s ILE 542 Cb -0.04 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 3kjv s ILE 542 CO 0.68 -0.12 0.42 -0.83 0.00 0.00 0.00 174.94 175.09 3kjv s GLY 543 N -2.74 1.90 -0.36 6.18 0.00 -1.26 -0.12 107.32 110.92 3kjv s GLY 543 Ca 0.22 -0.70 0.07 0.00 0.00 0.00 0.00 44.72 44.31 3kjv s GLY 543 CO 0.11 1.04 1.14 0.61 0.00 0.00 0.00 173.10 176.00 3kjv n GLY 544 N 4.47 5.86 0.27 0.20 0.00 -1.26 -4.97 105.19 109.77 3kjv n GLY 544 Ca -0.07 -2.60 0.18 0.00 0.00 0.00 0.00 46.02 43.54 3kjv n GLY 544 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3kjv h ASN 545 N 2.40 0.00 0.01 1.61 -0.73 -1.19 -2.26 115.58 115.44 3kjv h ASN 545 Ca 0.30 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.47 3kjv h ASN 545 Cb 1.24 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.83 3kjv h ASN 545 CO 0.77 0.00 -0.01 -0.33 -0.37 0.00 0.00 177.43 177.49 3kjv h GLU 546 N 0.00 -0.02 0.23 6.67 5.08 -0.89 -2.95 114.58 122.70 3kjv h GLU 546 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3kjv h GLU 546 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3kjv h GLU 546 CO 0.00 0.43 -0.11 1.96 -1.00 0.00 0.00 179.01 180.29 3kjv h GLN 547 N -0.47 -0.29 -0.80 2.33 7.50 -1.65 -2.03 115.11 119.70 3kjv h GLN 547 Ca -0.00 0.02 0.14 0.00 0.50 0.00 0.00 58.65 59.31 3kjv h GLN 547 Cb 0.46 0.07 -0.09 0.00 0.05 0.00 0.00 27.48 27.96 3kjv h GLN 547 CO 0.00 -0.07 0.38 0.28 -1.50 0.00 0.00 178.83 177.92 3kjv h VAL 548 N -0.48 0.71 0.00 -0.54 2.07 -1.67 -2.53 116.25 113.82 3kjv h VAL 548 Ca -0.03 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 3kjv h VAL 548 Cb 0.36 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3kjv h VAL 548 CO 0.05 0.10 -0.13 -0.78 0.02 0.00 0.00 177.57 176.83 3kjv h ASP 549 N 0.55 0.00 0.15 0.57 1.82 -1.19 -0.08 116.42 118.25 3kjv h ASP 549 Ca 0.43 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.78 3kjv h ASP 549 Cb 0.62 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.63 3kjv h ASP 549 CO -0.37 0.13 -1.42 0.11 -1.61 0.00 0.00 179.24 176.08 3kjv h LYS 550 N 0.00 0.31 -0.80 0.28 1.57 -1.19 -3.06 116.57 113.69 3kjv h LYS 550 Ca -0.00 -0.54 0.15 0.00 -1.87 0.00 0.00 60.65 58.39 3kjv h LYS 550 Cb 0.30 0.20 -0.15 0.00 0.08 0.00 0.00 32.23 32.66 3kjv h LYS 550 CO 0.02 1.26 -0.28 -0.07 -0.57 0.00 0.00 179.45 179.81 3kjv h LEU 551 N -0.17 -1.01 -0.30 2.94 3.38 -0.63 0.30 115.31 119.82 3kjv h LEU 551 Ca -0.29 0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kjv h LEU 551 Cb 1.86 0.58 0.00 0.00 0.09 0.00 0.00 40.66 43.19 3kjv h LEU 551 CO 0.12 -0.29 -0.36 1.33 0.09 0.00 0.00 178.44 179.33 3kjv n VAL 552 N -5.50 0.00 0.83 1.22 0.24 -0.67 -4.26 118.33 110.19 3kjv n VAL 552 Ca 0.10 -0.08 0.10 0.00 -2.04 0.00 0.00 64.34 62.41 3kjv n VAL 552 Cb 0.40 0.36 0.05 0.00 -1.47 0.00 0.00 33.84 33.18 3kjv n VAL 552 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3kjv n SER 553 N -0.98 2.38 -4.52 -1.34 2.88 0.08 -4.39 113.62 107.73 3kjv n SER 553 Ca 0.09 -1.69 -0.43 0.00 -1.33 0.00 0.00 58.87 55.52 3kjv n SER 553 Cb 0.34 0.16 -0.08 0.00 -0.75 0.00 0.00 64.21 63.88 3kjv n SER 553 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kjv s ALA 554 N -1.82 3.40 0.00 -1.46 0.00 -1.14 -4.28 121.76 116.45 3kjv s ALA 554 Ca 0.21 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3kjv s ALA 554 Cb 0.16 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 20.11 3kjv s ALA 554 CO 0.32 -1.61 0.00 0.41 0.00 0.00 0.00 175.76 174.88 3kjv n GLY 555 N 5.01 0.74 0.00 0.00 0.00 -1.26 -5.09 105.19 104.59 3kjv n GLY 555 Ca -0.04 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3kjv n GLY 555 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61