#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjv s ILE 5 N 0.00 3.32 0.32 0.52 1.01 -1.26 -4.93 121.20 120.19 3kjv s ILE 5 Ca 0.00 0.35 -0.12 0.00 0.00 0.00 0.00 60.65 60.88 3kjv s ILE 5 Cb 0.00 -3.36 -0.08 0.00 0.01 0.00 0.00 42.46 39.03 3kjv s ILE 5 CO 0.00 -0.18 0.70 -0.70 0.00 0.00 0.00 174.94 174.76 3kjv s GLU 6 N 5.39 3.89 -0.07 2.79 2.56 -1.26 -4.89 118.70 127.10 3kjv s GLU 6 Ca 0.85 0.51 0.02 0.00 0.00 0.00 0.00 54.97 56.35 3kjv s GLU 6 Cb -0.30 -2.47 -0.03 0.00 2.00 0.00 0.00 34.13 33.33 3kjv s GLU 6 CO 0.34 0.14 -0.12 -0.08 -0.56 0.00 0.00 175.26 174.99 3kjv s THR 7 N -2.05 3.28 -0.21 -1.70 -1.32 -1.26 -4.92 115.64 107.46 3kjv s THR 7 Ca 0.52 -0.63 -0.11 0.00 -1.21 0.00 0.00 61.69 60.26 3kjv s THR 7 Cb -0.10 -2.32 -0.05 0.00 -1.51 0.00 0.00 72.50 68.51 3kjv s THR 7 CO 0.22 0.58 0.15 0.54 -2.21 0.00 0.00 174.62 173.90 3kjv s VAL 8 N -0.52 5.39 0.49 5.08 0.11 -1.26 -5.01 120.40 124.68 3kjv s VAL 8 Ca 0.07 0.23 -0.23 0.00 -2.93 0.00 0.00 61.98 59.11 3kjv s VAL 8 Cb -0.12 -3.49 -0.07 0.00 -1.53 0.00 0.00 36.38 31.17 3kjv s VAL 8 CO 0.02 0.41 1.30 -2.16 -3.33 0.00 0.00 175.10 171.34 3kjv s PRO 9 N 0.55 3.52 0.14 1.54 0.04 -1.26 -4.54 135.00 134.99 3kjv s PRO 9 Ca 0.09 2.12 -0.06 0.00 0.04 0.00 0.00 61.00 63.19 3kjv s PRO 9 Cb -0.12 -2.44 -0.02 0.00 0.04 0.00 0.00 34.50 31.97 3kjv s PRO 9 CO 0.00 -0.85 0.18 0.14 0.04 0.00 0.00 177.00 176.51 3kjv s VAL 10 N -1.35 0.10 0.10 -0.36 -7.23 -1.26 -5.10 120.40 105.30 3kjv s VAL 10 Ca 0.65 -1.55 -0.08 0.00 -1.81 0.00 0.00 61.98 59.19 3kjv s VAL 10 Cb -0.37 -1.81 0.03 0.00 0.56 0.00 0.00 36.38 34.79 3kjv s VAL 10 CO 0.45 -0.45 0.41 2.29 -0.31 0.00 0.00 175.10 177.49 3kjv n LYS 11 N -0.13 0.32 -3.98 4.82 2.85 -1.26 -4.84 118.16 115.94 3kjv n LYS 11 Ca -0.08 -0.69 -0.26 0.00 -1.05 0.00 0.00 58.31 56.22 3kjv n LYS 11 Cb 0.63 0.91 -0.04 0.00 -0.65 0.00 0.00 35.03 35.88 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 4.19 0.22 -5.58 1.02 -1.26 -2.55 118.68 114.73 3kjv s LEU 12 Ca 0.09 0.10 -0.18 0.00 0.02 0.00 0.00 54.13 54.15 3kjv s LEU 12 Cb -0.01 -2.78 -0.12 0.00 0.02 0.00 0.00 46.19 43.30 3kjv s LEU 12 CO 0.03 0.07 0.22 0.29 0.02 0.00 0.00 176.35 176.97 3kjv n LYS 13 N -0.43 0.00 -2.16 1.70 5.02 -0.67 -4.74 118.16 116.88 3kjv n LYS 13 Ca -0.07 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.80 3kjv n LYS 13 Cb 0.54 -0.74 -0.03 0.00 -0.02 0.00 0.00 35.03 34.78 3kjv n LYS 13 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3kjv s PRO 14 N -0.74 4.32 0.00 1.97 0.02 -1.26 -2.35 135.00 136.97 3kjv s PRO 14 Ca 0.45 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.56 3kjv s PRO 14 Cb -0.57 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 30.71 3kjv s PRO 14 CO 0.44 -0.42 0.00 0.41 -0.33 0.00 0.00 177.00 177.10 3kjv n GLY 15 N 3.32 1.85 3.94 0.52 0.00 -1.26 -5.03 105.19 108.53 3kjv n GLY 15 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.15 3.49 0.23 1.61 -1.94 -0.99 -5.11 119.30 116.44 3kjv s MET 16 Ca 0.00 -0.45 0.10 0.00 -1.71 0.00 0.00 55.69 53.64 3kjv s MET 16 Cb 0.00 -2.80 -0.05 0.00 2.01 0.00 0.00 34.83 33.99 3kjv s MET 16 CO 0.00 0.34 -0.19 0.34 -0.01 0.00 0.00 175.02 175.50 3kjv s ASP 17 N -3.61 3.19 1.22 3.03 2.15 -1.26 -4.86 116.67 116.53 3kjv s ASP 17 Ca 0.38 -0.99 -0.16 0.00 0.43 0.00 0.00 52.55 52.21 3kjv s ASP 17 Cb -0.10 -0.23 0.30 0.00 -0.30 0.00 0.00 42.92 42.58 3kjv s ASP 17 CO 0.31 -0.01 1.02 -0.83 -0.17 0.00 0.00 175.17 175.48 3kjv s GLY 18 N -3.24 1.51 0.51 2.66 0.00 -1.26 -4.96 107.32 102.54 3kjv s GLY 18 Ca 0.25 -0.45 -0.19 0.00 0.00 0.00 0.00 44.72 44.32 3kjv s GLY 18 CO 0.11 0.35 1.05 2.56 0.00 0.00 0.00 173.10 177.18 3kjv s PRO 19 N -4.79 3.65 -0.42 2.90 0.04 -1.26 -4.94 135.00 130.18 3kjv s PRO 19 Ca 0.68 1.37 0.03 0.00 0.04 0.00 0.00 61.00 63.13 3kjv s PRO 19 Cb -0.19 -2.07 0.16 0.00 0.04 0.00 0.00 34.50 32.44 3kjv s PRO 19 CO 0.61 -0.56 0.33 0.15 0.04 0.00 0.00 177.00 177.57 3kjv s LYS 20 N -3.38 0.97 -0.12 4.56 1.02 -1.23 -1.05 119.74 120.51 3kjv s LYS 20 Ca 0.67 -2.08 -0.01 0.00 0.02 0.00 0.00 55.97 54.58 3kjv s LYS 20 Cb -0.17 -1.56 -0.02 0.00 -0.52 0.00 0.00 37.83 35.55 3kjv s LYS 20 CO 0.24 -1.35 -0.08 0.08 -0.92 0.00 0.00 175.35 173.32 3kjv s VAL 21 N 0.11 3.58 0.28 3.17 1.01 0.13 -4.92 120.40 123.76 3kjv s VAL 21 Ca 0.30 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.49 3kjv s VAL 21 Cb -0.02 -2.52 -0.10 0.00 0.00 0.00 0.00 36.38 33.75 3kjv s VAL 21 CO -0.16 0.54 1.08 -0.54 0.00 0.00 0.00 175.10 176.02 3kjv s LYS 22 N -0.05 4.66 0.39 2.72 1.02 -1.26 -4.33 119.74 122.89 3kjv s LYS 22 Ca -0.00 1.78 -0.25 0.00 0.02 0.00 0.00 55.97 57.52 3kjv s LYS 22 Cb -0.13 -3.20 -0.09 0.00 -0.52 0.00 0.00 37.83 33.89 3kjv s LYS 22 CO 0.03 0.24 1.06 -1.14 -0.92 0.00 0.00 175.35 174.62 3kjv s GLN 23 N -1.42 4.21 0.22 1.68 2.00 -1.26 -4.75 119.66 120.34 3kjv s GLN 23 Ca 0.44 1.56 0.09 0.00 -2.00 0.00 0.00 55.36 55.44 3kjv s GLN 23 Cb -0.31 -2.62 -0.04 0.00 0.80 0.00 0.00 33.01 30.84 3kjv s GLN 23 CO 0.40 -0.12 -0.01 1.67 -0.50 0.00 0.00 175.29 176.74 3kjv s TRP 24 N -1.59 2.76 0.04 1.67 -2.14 -1.26 -5.06 118.94 113.35 3kjv s TRP 24 Ca 0.56 -0.19 -0.36 0.00 2.66 0.00 0.00 56.10 58.78 3kjv s TRP 24 Cb -0.23 -1.28 -0.15 0.00 -3.10 0.00 0.00 33.47 28.71 3kjv s TRP 24 CO 0.29 0.56 1.58 -0.35 -2.66 0.00 0.00 176.95 176.38 3kjv n PRO 25 N -0.51 1.73 -3.35 3.25 -0.04 -1.26 -4.99 135.00 129.83 3kjv n PRO 25 Ca -0.08 0.63 -0.20 0.00 -0.04 0.00 0.00 63.50 63.81 3kjv n PRO 25 Cb 0.57 -2.36 -0.00 0.00 -0.04 0.00 0.00 33.50 31.66 3kjv n PRO 25 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kjv s LEU 26 N 1.70 3.39 0.30 1.53 1.43 -1.26 -5.14 118.68 120.63 3kjv s LEU 26 Ca 0.86 -0.69 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 3kjv s LEU 26 Cb -0.81 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.25 3kjv s LEU 26 CO 0.47 -0.81 0.46 0.42 0.23 0.00 0.00 176.35 177.12 3kjv s THR 27 N -2.48 5.17 0.25 5.49 -4.23 -1.26 -4.88 115.64 113.70 3kjv s THR 27 Ca 0.51 -0.69 -0.05 0.00 -1.18 0.00 0.00 61.69 60.28 3kjv s THR 27 Cb -0.06 -3.86 0.24 0.00 1.34 0.00 0.00 72.50 70.16 3kjv s THR 27 CO 0.30 -0.45 1.88 -0.33 -0.54 0.00 0.00 174.62 175.48 3kjv h GLU 28 N 0.96 1.09 -0.10 3.99 5.08 -2.00 0.25 114.58 123.84 3kjv h GLU 28 Ca -0.51 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 57.68 3kjv h GLU 28 Cb 1.22 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 3kjv h GLU 28 CO 0.61 0.72 -0.43 1.05 -1.00 0.00 0.00 179.01 179.96 3kjv h GLU 29 N 1.12 0.22 -0.05 2.33 4.11 -1.98 -0.04 114.58 120.29 3kjv h GLU 29 Ca 0.38 -0.11 -0.08 0.00 0.07 0.00 0.00 59.36 59.62 3kjv h GLU 29 Cb 0.08 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3kjv h GLU 29 CO -0.14 0.61 -0.30 0.87 0.07 0.00 0.00 179.01 180.12 3kjv h LYS 30 N 0.18 0.28 0.22 1.06 1.57 -1.43 -2.03 116.57 116.43 3kjv h LYS 30 Ca 0.01 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3kjv h LYS 30 Cb 0.83 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 3kjv h LYS 30 CO 0.07 0.90 -0.17 0.82 -0.57 0.00 0.00 179.45 180.50 3kjv h ILE 31 N -0.26 0.62 -1.01 1.86 2.04 -0.58 0.14 117.51 120.33 3kjv h ILE 31 Ca -0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.88 3kjv h ILE 31 Cb 0.97 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 3kjv h ILE 31 CO 0.06 0.00 0.66 0.11 0.00 0.00 0.00 178.15 178.98 3kjv h LYS 32 N -0.40 1.23 0.00 2.37 1.57 -1.07 1.07 116.57 121.33 3kjv h LYS 32 Ca -0.01 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 3kjv h LYS 32 Cb 0.36 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3kjv h LYS 32 CO -0.01 0.81 -0.43 0.00 -0.57 0.00 0.00 179.45 179.25 3kjv h ALA 33 N 1.42 1.17 0.05 3.86 0.00 -1.24 -1.78 119.26 122.75 3kjv h ALA 33 Ca 0.41 -0.39 -0.26 0.00 0.00 0.00 0.00 54.91 54.67 3kjv h ALA 33 Cb 0.02 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.75 3kjv h ALA 33 CO -0.13 0.54 -1.08 -0.07 0.00 0.00 0.00 179.25 178.50 3kjv h LEU 34 N 0.00 0.66 -1.20 0.00 3.38 0.27 -2.82 115.31 115.60 3kjv h LEU 34 Ca -0.00 -0.57 -0.08 0.00 0.09 0.00 0.00 57.88 57.31 3kjv h LEU 34 Cb 0.82 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3kjv h LEU 34 CO 0.06 1.39 -0.34 0.58 0.09 0.00 0.00 178.44 180.21 3kjv h VAL 35 N 0.24 1.26 0.02 1.22 2.07 0.93 -1.37 116.25 120.63 3kjv h VAL 35 Ca -0.12 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.14 3kjv h VAL 35 Cb 1.74 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 3kjv h VAL 35 CO 0.20 0.37 -0.01 -0.08 0.02 0.00 0.00 177.57 178.06 3kjv h GLU 36 N 0.08 -0.03 0.00 1.57 4.81 -1.31 -2.70 114.58 117.01 3kjv h GLU 36 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3kjv h GLU 36 Cb 0.65 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.04 3kjv h GLU 36 CO 0.05 0.24 -0.39 0.44 -0.73 0.00 0.00 179.01 178.62 3kjv n ILE 37 N -4.97 0.18 0.02 2.32 -5.35 -1.07 -3.38 119.36 107.10 3kjv n ILE 37 Ca -0.08 -0.12 -0.15 0.00 -0.27 0.00 0.00 62.75 62.13 3kjv n ILE 37 Cb 0.16 -0.11 -0.04 0.00 -1.74 0.00 0.00 39.64 37.90 3kjv n ILE 37 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kjv h THR 39 N 0.41 0.15 -0.77 0.00 2.02 -1.49 -1.54 112.91 111.69 3kjv h THR 39 Ca -0.06 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.13 3kjv h THR 39 Cb 1.43 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 3kjv h THR 39 CO 0.16 0.00 0.51 -0.33 0.37 0.00 0.00 175.52 176.23 3kjv h GLU 40 N -0.53 1.01 0.00 6.66 3.07 -1.60 -1.59 114.58 121.60 3kjv h GLU 40 Ca 0.06 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3kjv h GLU 40 Cb 0.64 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 28.32 3kjv h GLU 40 CO -0.36 0.66 -0.04 0.52 -1.40 0.00 0.00 179.01 178.40 3kjv h MET 41 N 1.04 0.00 0.04 2.33 2.86 -0.35 -0.16 114.93 120.69 3kjv h MET 41 Ca 0.29 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.55 3kjv h MET 41 Cb -0.10 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.51 3kjv h MET 41 CO -0.07 0.04 -2.29 -0.85 1.06 0.00 0.00 176.91 174.79 3kjv n GLU 42 N -3.27 0.68 -0.23 1.72 0.28 -0.66 -0.21 120.64 118.94 3kjv n GLU 42 Ca -0.02 0.21 0.02 0.00 -0.16 0.00 0.00 57.16 57.21 3kjv n GLU 42 Cb 0.19 -1.58 0.14 0.00 1.43 0.00 0.00 31.44 31.62 3kjv n GLU 42 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 3kjv h LYS 43 N -0.09 0.43 -0.24 3.44 1.57 -0.71 0.82 116.57 121.79 3kjv h LYS 43 Ca -0.53 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 3kjv h LYS 43 Cb 1.90 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.11 3kjv h LYS 43 CO -0.06 0.29 0.00 0.39 -0.57 0.00 0.00 179.45 179.49 3kjv n GLU 44 N -4.98 1.24 -2.29 3.15 1.02 -0.13 -4.84 120.64 113.81 3kjv n GLU 44 Ca 0.11 -0.32 -0.07 0.00 -0.02 0.00 0.00 57.16 56.86 3kjv n GLU 44 Cb 0.33 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 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 0.53 0.16 0.05 0.62 0.00 0.28 -4.92 105.19 101.91 3kjv n GLY 45 Ca 0.03 -0.54 -0.05 0.00 0.00 0.00 0.00 46.02 45.45 3kjv n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kjv n LYS 46 N -1.75 2.07 -4.28 1.61 5.02 -0.94 -4.95 118.16 114.95 3kjv n LYS 46 Ca -0.06 0.01 -0.19 0.00 -2.02 0.00 0.00 58.31 56.05 3kjv n LYS 46 Cb 0.55 -1.25 -0.11 0.00 -0.02 0.00 0.00 35.03 34.21 3kjv n LYS 46 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3kjv s ILE 47 N -2.24 1.50 0.35 -0.18 -4.36 0.70 -1.71 121.20 115.27 3kjv s ILE 47 Ca -0.07 -1.86 0.02 0.00 -0.26 0.00 0.00 60.65 58.49 3kjv s ILE 47 Cb 0.03 -1.70 0.02 0.00 1.25 0.00 0.00 42.46 42.06 3kjv s ILE 47 CO 0.38 -0.44 0.18 -1.54 0.24 0.00 0.00 174.94 173.76 3kjv n SER 48 N 0.30 2.39 -4.58 4.36 3.41 -0.67 -4.11 113.62 114.73 3kjv n SER 48 Ca -0.13 -2.31 -0.31 0.00 -0.26 0.00 0.00 58.87 55.85 3kjv n SER 48 Cb 0.58 0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 64.48 3kjv n SER 48 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3kjv s LYS 49 N -3.39 2.42 0.02 4.33 2.20 -1.26 -1.56 119.74 122.49 3kjv s LYS 49 Ca 0.14 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.94 3kjv s LYS 49 Cb -0.01 -2.43 -0.02 0.00 -1.51 0.00 0.00 37.83 33.86 3kjv s LYS 49 CO 0.09 0.57 -0.04 0.96 -0.36 0.00 0.00 175.35 176.58 3kjv s ILE 50 N -1.04 0.19 0.00 5.43 -5.25 -0.07 -4.85 121.20 115.61 3kjv s ILE 50 Ca 0.18 -0.82 0.00 0.00 -0.99 0.00 0.00 60.65 59.02 3kjv s ILE 50 Cb -0.11 -0.30 0.00 0.00 2.95 0.00 0.00 42.46 45.00 3kjv s ILE 50 CO 0.09 -0.40 0.00 0.61 -1.79 0.00 0.00 174.94 173.45 3kjv n GLY 51 N 1.78 0.62 0.00 6.27 0.00 -1.26 -4.10 105.19 108.50 3kjv n GLY 51 Ca -0.22 -1.89 0.12 0.00 0.00 0.00 0.00 46.02 44.03 3kjv n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kjv n PRO 52 N -0.56 0.24 0.00 1.61 -0.04 -1.26 -3.47 135.00 131.52 3kjv n PRO 52 Ca 0.00 0.06 0.10 0.00 -0.04 0.00 0.00 63.50 63.62 3kjv n PRO 52 Cb 0.00 -1.50 0.58 0.00 -0.04 0.00 0.00 33.50 32.54 3kjv n PRO 52 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3kjv n GLU 53 N -1.35 0.61 -3.39 0.54 0.00 -1.26 -4.30 120.64 111.49 3kjv n GLU 53 Ca 0.10 0.00 -0.44 0.00 0.00 0.00 0.00 57.16 56.81 3kjv n GLU 53 Cb 0.22 -1.49 -0.07 0.00 0.00 0.00 0.00 31.44 30.10 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 -1.99 6.12 0.38 -1.84 3.84 -1.23 -4.95 114.94 115.27 3kjv s ASN 54 Ca 0.29 -1.39 0.28 0.00 0.21 0.00 0.00 52.86 52.25 3kjv s ASN 54 Cb 0.13 -2.18 1.16 0.00 -0.55 0.00 0.00 41.25 39.82 3kjv s ASN 54 CO 0.22 -0.67 1.83 1.55 -2.79 0.00 0.00 177.10 177.25 3kjv h PRO 55 N 8.75 0.00 -7.03 0.43 0.13 -1.90 -3.45 132.00 128.92 3kjv h PRO 55 Ca -0.28 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.40 3kjv h PRO 55 Cb 1.11 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.30 3kjv h PRO 55 CO 0.89 0.00 0.07 0.71 -0.23 0.00 0.00 178.00 179.44 3kjv s TYR 56 N -3.47 2.59 0.00 1.56 2.02 -1.26 -4.86 117.35 113.93 3kjv s TYR 56 Ca 0.03 0.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.79 3kjv s TYR 56 Cb 0.09 -2.95 0.00 0.00 -0.40 0.00 0.00 41.96 38.70 3kjv s TYR 56 CO 0.44 -1.22 0.00 -1.71 -1.57 0.00 0.00 175.55 171.49 3kjv n ASN 57 N -2.62 0.00 -3.89 2.29 5.15 -0.22 -4.85 115.26 111.12 3kjv n ASN 57 Ca 0.10 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 53.92 3kjv n ASN 57 Cb 0.60 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.70 3kjv n ASN 57 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kjv s THR 58 N -1.02 0.23 0.75 -0.44 2.01 -0.89 -0.70 115.64 115.58 3kjv s THR 58 Ca 0.00 -0.06 -0.13 0.00 0.31 0.00 0.00 61.69 61.82 3kjv s THR 58 Cb 0.00 -0.24 0.05 0.00 0.01 0.00 0.00 72.50 72.32 3kjv s THR 58 CO 0.00 0.10 1.12 -2.16 -0.69 0.00 0.00 174.62 172.99 3kjv s PRO 59 N 0.33 2.24 0.01 4.92 0.04 -1.26 -4.46 135.00 136.82 3kjv s PRO 59 Ca -0.03 1.38 0.01 0.00 0.04 0.00 0.00 61.00 62.41 3kjv s PRO 59 Cb -0.06 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 3kjv s PRO 59 CO -0.01 -1.68 -0.05 0.14 0.04 0.00 0.00 177.00 175.44 3kjv s VAL 60 N -2.54 0.38 0.00 -0.36 -7.23 -1.26 -2.43 120.40 106.96 3kjv s VAL 60 Ca 0.66 -0.43 0.00 0.00 -1.81 0.00 0.00 61.98 60.39 3kjv s VAL 60 Cb -0.21 -0.37 0.00 0.00 0.56 0.00 0.00 36.38 36.36 3kjv s VAL 60 CO 0.50 -0.04 0.00 2.22 -0.31 0.00 0.00 175.10 177.46 3kjv n PHE 61 N 2.55 0.00 -3.84 2.82 -1.74 -1.23 -4.86 117.46 111.16 3kjv n PHE 61 Ca -0.16 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.61 3kjv n PHE 61 Cb 0.57 0.00 -0.14 0.00 1.52 0.00 0.00 39.48 41.43 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 -2.00 -0.01 -0.06 1.98 0.00 -1.26 -3.46 121.76 116.95 3kjv s ALA 62 Ca 0.00 0.13 0.06 0.00 0.00 0.00 0.00 51.96 52.15 3kjv s ALA 62 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 3kjv s ALA 62 CO 0.00 -0.04 -0.25 -1.50 0.00 0.00 0.00 175.76 173.97 3kjv s ILE 63 N 0.31 2.08 -1.39 0.00 1.10 0.13 -4.95 121.20 118.48 3kjv s ILE 63 Ca -0.02 -1.06 -0.14 0.00 -0.51 0.00 0.00 60.65 58.92 3kjv s ILE 63 Cb -0.04 -1.75 0.08 0.00 0.15 0.00 0.00 42.46 40.90 3kjv s ILE 63 CO -0.01 0.57 2.04 1.17 -2.11 0.00 0.00 174.94 176.60 3kjv n LYS 64 N 2.92 3.08 0.15 3.50 3.00 -1.26 0.38 118.16 129.93 3kjv n LYS 64 Ca -0.17 -2.95 0.11 0.00 -0.00 0.00 0.00 58.31 55.29 3kjv n LYS 64 Cb 0.52 -3.25 0.55 0.00 0.00 0.00 0.00 35.03 32.85 3kjv n LYS 64 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3kjv n LYS 65 N 6.07 0.14 -1.94 1.64 0.00 -1.25 -4.54 118.16 118.28 3kjv n LYS 65 Ca 0.48 0.60 0.00 0.00 0.00 0.00 0.00 58.31 59.40 3kjv n LYS 65 Cb 0.40 -1.93 0.00 0.00 0.00 0.00 0.00 35.03 33.50 3kjv n LYS 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3kjv n LYS 66 N -2.22 1.94 0.00 1.64 4.81 -1.26 -4.98 118.16 118.08 3kjv n LYS 66 Ca -0.01 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.57 3kjv n LYS 66 Cb 0.06 0.00 0.68 0.00 0.02 0.00 0.00 35.03 35.79 3kjv n LYS 66 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3kjv n ASP 67 N -1.09 0.00 -2.57 3.14 4.64 -1.26 -4.92 116.55 114.50 3kjv n ASP 67 Ca 0.00 0.19 0.00 0.00 -1.38 0.00 0.00 54.79 53.60 3kjv n ASP 67 Cb 0.00 -0.39 0.00 0.00 -1.04 0.00 0.00 41.12 39.69 3kjv n ASP 67 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 3kjv n SER 68 N -1.39 -0.01 -1.15 1.67 3.41 -1.26 -5.00 113.62 109.89 3kjv n SER 68 Ca 0.10 -0.43 -0.05 0.00 -0.26 0.00 0.00 58.87 58.23 3kjv n SER 68 Cb 0.29 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.39 3kjv n SER 68 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3kjv n THR 69 N -0.87 2.44 -3.91 6.66 -1.04 -1.26 -4.92 114.28 111.37 3kjv n THR 69 Ca 0.00 -3.32 -0.35 0.00 -2.04 0.00 0.00 64.05 58.34 3kjv n THR 69 Cb 0.00 -0.50 -0.14 0.00 -1.82 0.00 0.00 70.33 67.87 3kjv n THR 69 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3kjv s LYS 70 N -3.35 2.38 0.24 -2.82 2.20 -1.26 -5.10 119.74 112.03 3kjv s LYS 70 Ca 0.44 -1.31 -0.21 0.00 -0.36 0.00 0.00 55.97 54.53 3kjv s LYS 70 Cb 0.40 -3.19 -0.09 0.00 -1.51 0.00 0.00 37.83 33.44 3kjv s LYS 70 CO -0.02 -0.65 0.76 -1.58 -0.36 0.00 0.00 175.35 173.50 3kjv s TRP 71 N 1.23 3.66 0.07 4.03 0.52 -1.26 -3.97 118.94 123.23 3kjv s TRP 71 Ca -0.04 1.46 0.05 0.00 0.02 0.00 0.00 56.10 57.59 3kjv s TRP 71 Cb -0.20 -2.67 -0.04 0.00 -1.15 0.00 0.00 33.47 29.41 3kjv s TRP 71 CO -0.02 0.32 -0.06 0.50 0.02 0.00 0.00 176.95 177.71 3kjv s ARG 72 N -1.98 2.37 -0.19 4.98 3.52 0.16 -4.95 118.95 122.87 3kjv s ARG 72 Ca 0.44 -0.88 -0.03 0.00 -0.13 0.00 0.00 55.73 55.13 3kjv s ARG 72 Cb -0.17 -2.43 -0.01 0.00 -1.56 0.00 0.00 34.95 30.78 3kjv s ARG 72 CO 0.21 0.54 -0.07 -1.59 -0.81 0.00 0.00 175.30 173.59 3kjv s LYS 73 N -2.00 3.40 0.07 5.12 0.00 -1.26 0.19 119.74 125.26 3kjv s LYS 73 Ca 0.21 -0.63 0.07 0.00 0.00 0.00 0.00 55.97 55.62 3kjv s LYS 73 Cb -0.11 -2.90 -0.04 0.00 0.00 0.00 0.00 37.83 34.79 3kjv s LYS 73 CO 0.13 -0.05 -0.16 -0.48 0.00 0.00 0.00 175.35 174.79 3kjv s LEU 74 N 1.08 2.73 -0.17 2.77 0.05 -1.22 -5.00 118.68 118.92 3kjv s LEU 74 Ca 0.01 -0.44 -0.06 0.00 0.05 0.00 0.00 54.13 53.69 3kjv s LEU 74 Cb -0.15 -1.59 -0.04 0.00 -2.05 0.00 0.00 46.19 42.37 3kjv s LEU 74 CO -0.01 0.22 0.04 -0.69 -0.55 0.00 0.00 176.35 175.36 3kjv s VAL 75 N -1.03 4.57 -1.13 1.48 1.01 -1.26 -3.52 120.40 120.52 3kjv s VAL 75 Ca 0.17 -0.12 -0.20 0.00 0.00 0.00 0.00 61.98 61.83 3kjv s VAL 75 Cb -0.11 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 3kjv s VAL 75 CO 0.08 0.48 1.96 -0.67 0.00 0.00 0.00 175.10 176.95 3kjv n ASP 76 N 3.40 3.42 -0.10 3.32 -0.08 -1.02 -4.71 116.55 120.78 3kjv n ASP 76 Ca -0.17 -2.77 0.07 0.00 -1.51 0.00 0.00 54.79 50.42 3kjv n ASP 76 Cb 0.52 -1.51 0.38 0.00 2.34 0.00 0.00 41.12 42.85 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 9.09 0.05 -0.31 -0.67 3.72 -1.26 -4.10 117.46 123.98 3kjv n PHE 77 Ca 0.49 -0.03 0.25 0.00 -0.05 0.00 0.00 57.45 58.12 3kjv n PHE 77 Cb 0.43 0.00 0.47 0.00 -0.94 0.00 0.00 39.48 39.44 3kjv n PHE 77 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3kjv n ARG 78 N -0.51 -0.06 0.02 -1.08 1.74 -1.26 0.20 116.66 115.70 3kjv n ARG 78 Ca 0.11 1.36 -0.18 0.00 -0.77 0.00 0.00 57.85 58.37 3kjv n ARG 78 Cb 0.09 -2.35 -0.14 0.00 -1.02 0.00 0.00 32.46 29.05 3kjv n ARG 78 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3kjv h GLU 79 N 0.00 0.23 -0.07 5.56 4.57 -1.97 -2.23 114.58 120.67 3kjv h GLU 79 Ca 0.74 -0.37 -0.09 0.00 -1.18 0.00 0.00 59.36 58.45 3kjv h GLU 79 Cb 1.84 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 30.55 3kjv h GLU 79 CO -0.79 1.16 -0.38 1.25 -1.18 0.00 0.00 179.01 179.07 3kjv h LEU 80 N -0.51 0.15 0.63 1.64 7.12 -1.56 -3.17 115.31 119.61 3kjv h LEU 80 Ca -0.10 -0.06 -0.03 0.00 0.13 0.00 0.00 57.88 57.82 3kjv h LEU 80 Cb 1.44 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.53 3kjv h LEU 80 CO 0.11 0.52 -0.31 0.78 -0.13 0.00 0.00 178.44 179.41 3kjv h ASN 81 N 0.12 -0.74 0.00 1.25 2.35 0.24 -2.83 115.58 115.97 3kjv h ASN 81 Ca 0.01 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3kjv h ASN 81 Cb 0.74 0.20 -0.00 0.00 0.05 0.00 0.00 38.32 39.30 3kjv h ASN 81 CO 0.06 -0.52 -0.00 2.29 -1.65 0.00 0.00 177.43 177.60 3kjv n LYS 82 N -5.46 0.90 -0.69 0.81 2.85 -0.84 -1.95 118.16 113.78 3kjv n LYS 82 Ca -0.13 -0.01 -0.00 0.00 -1.05 0.00 0.00 58.31 57.11 3kjv n LYS 82 Cb 0.35 -1.07 -0.01 0.00 -0.65 0.00 0.00 35.03 33.66 3kjv n LYS 82 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3kjv n ARG 83 N 1.57 0.00 -4.63 -1.58 1.74 -1.07 -4.99 116.66 107.70 3kjv n ARG 83 Ca 0.01 -0.76 -0.32 0.00 -0.77 0.00 0.00 57.85 56.01 3kjv n ARG 83 Cb 0.45 -0.13 -0.17 0.00 -1.02 0.00 0.00 32.46 31.60 3kjv n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3kjv s THR 84 N 0.00 1.95 0.25 0.55 2.01 -0.82 -1.66 115.64 117.91 3kjv s THR 84 Ca 0.04 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 60.83 3kjv s THR 84 Cb 0.05 -1.73 -0.11 0.00 0.01 0.00 0.00 72.50 70.72 3kjv s THR 84 CO -0.02 0.53 1.53 -1.58 -0.69 0.00 0.00 174.62 174.38 3kjv s GLN 85 N 0.85 4.20 0.00 4.92 0.74 -1.06 -4.80 119.66 124.51 3kjv s GLN 85 Ca -0.07 2.43 0.00 0.00 0.05 0.00 0.00 55.36 57.77 3kjv s GLN 85 Cb -0.15 -3.08 0.00 0.00 1.10 0.00 0.00 33.01 30.87 3kjv s GLN 85 CO -0.02 -0.54 0.00 -0.40 -0.55 0.00 0.00 175.29 173.78 3kjv n ASP 86 N 2.56 0.19 0.00 6.67 3.85 -1.26 -4.96 116.55 123.60 3kjv n ASP 86 Ca 0.09 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.17 3kjv n ASP 86 Cb 0.39 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.16 3kjv n ASP 86 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 3kjv n PHE 87 N 0.00 0.00 -3.42 2.11 3.72 -1.26 -5.24 117.46 113.37 3kjv n PHE 87 Ca 0.00 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.21 3kjv n PHE 87 Cb 0.00 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 3kjv n PHE 87 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3kjv s PRO 95 N 3.78 2.87 -0.18 -1.08 0.02 -1.26 -5.21 135.00 133.93 3kjv s PRO 95 Ca 0.00 -1.22 0.01 0.00 0.02 0.00 0.00 61.00 59.81 3kjv s PRO 95 Cb 0.00 -2.67 0.04 0.00 0.02 0.00 0.00 34.50 31.89 3kjv s PRO 95 CO 0.00 -0.07 -0.11 -1.58 -0.33 0.00 0.00 177.00 174.91 3kjv s HIS 96 N -2.30 2.27 -0.40 6.54 2.46 -1.26 -5.08 115.29 117.52 3kjv s HIS 96 Ca 0.48 -1.42 -0.30 0.00 0.47 0.00 0.00 55.06 54.28 3kjv s HIS 96 Cb -0.08 -1.59 -0.09 0.00 -0.13 0.00 0.00 32.58 30.69 3kjv s HIS 96 CO 0.30 -0.71 2.31 -2.30 -2.47 0.00 0.00 174.74 171.87 3kjv n PRO 97 N 4.73 1.24 0.08 2.88 -0.02 -1.26 -4.84 135.00 137.81 3kjv n PRO 97 Ca -0.15 0.26 0.12 0.00 -2.02 0.00 0.00 63.50 61.71 3kjv n PRO 97 Cb 0.48 -2.88 0.46 0.00 -0.02 0.00 0.00 33.50 31.54 3kjv n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kjv n ALA 98 N 12.12 2.10 1.06 3.55 0.00 -1.26 -3.66 120.51 134.41 3kjv n ALA 98 Ca 0.39 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.92 3kjv n ALA 98 Cb 0.36 -1.43 0.09 0.00 0.00 0.00 0.00 19.45 18.47 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 0.95 -0.55 0.21 0.00 0.00 -1.26 -4.15 105.19 100.39 3kjv n GLY 99 Ca 0.05 -0.54 -0.02 0.00 0.00 0.00 0.00 46.02 45.51 3kjv n GLY 99 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kjv h LEU 100 N 1.21 0.27 -0.61 0.99 5.85 -1.90 -2.83 115.31 118.29 3kjv h LEU 100 Ca 0.00 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3kjv h LEU 100 Cb 0.60 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3kjv h LEU 100 CO 0.00 0.62 0.00 2.29 -0.34 0.00 0.00 178.44 181.01 3kjv n LYS 101 N -4.07 0.14 -0.53 1.25 2.85 -1.26 -3.20 118.16 113.34 3kjv n LYS 101 Ca -0.01 0.42 0.06 0.00 -1.05 0.00 0.00 58.31 57.72 3kjv n LYS 101 Cb 0.45 -1.79 0.20 0.00 -0.65 0.00 0.00 35.03 33.24 3kjv n LYS 101 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 3kjv n LYS 102 N -2.05 1.58 -3.89 -1.58 2.85 -1.07 -3.80 118.16 110.20 3kjv n LYS 102 Ca 0.02 -3.18 -0.26 0.00 -1.05 0.00 0.00 58.31 53.84 3kjv n LYS 102 Cb 0.18 -1.62 -0.03 0.00 -0.65 0.00 0.00 35.03 32.91 3kjv n LYS 102 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3kjv s LYS 103 N -3.18 3.46 0.12 -1.58 1.02 -1.19 -4.77 119.74 113.61 3kjv s LYS 103 Ca 0.38 -0.55 -0.20 0.00 0.02 0.00 0.00 55.97 55.61 3kjv s LYS 103 Cb 0.36 -2.93 -0.06 0.00 -0.52 0.00 0.00 37.83 34.68 3kjv s LYS 103 CO -0.05 0.49 1.74 -0.22 -0.92 0.00 0.00 175.35 176.39 3kjv h LYS 104 N 2.03 0.11 -3.31 1.68 1.63 -1.83 -3.09 116.57 113.79 3kjv h LYS 104 Ca -0.49 -0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 59.19 3kjv h LYS 104 Cb 1.20 -0.03 -0.19 0.00 -0.60 0.00 0.00 32.23 32.61 3kjv h LYS 104 CO 0.68 0.07 -0.34 -1.54 -3.45 0.00 0.00 179.45 174.87 3kjv s SER 105 N -5.27 -0.08 -0.04 4.20 1.04 -1.05 -4.24 113.70 108.26 3kjv s SER 105 Ca -0.13 -0.14 0.05 0.00 0.48 0.00 0.00 55.95 56.21 3kjv s SER 105 Cb 0.09 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 3kjv s SER 105 CO 0.68 -0.49 -0.20 -0.69 0.98 0.00 0.00 173.24 173.52 3kjv s VAL 106 N -1.89 1.63 -0.02 5.02 1.01 0.24 -2.22 120.40 124.17 3kjv s VAL 106 Ca -0.10 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.05 3kjv s VAL 106 Cb -0.04 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 3kjv s VAL 106 CO 0.00 0.46 -0.00 -0.89 0.00 0.00 0.00 175.10 174.68 3kjv s THR 107 N -0.10 4.18 -0.32 3.92 2.01 -0.13 -1.04 115.64 124.15 3kjv s THR 107 Ca -0.02 -0.52 0.02 0.00 0.31 0.00 0.00 61.69 61.48 3kjv s THR 107 Cb -0.12 -2.84 0.08 0.00 0.01 0.00 0.00 72.50 69.64 3kjv s THR 107 CO 0.02 0.43 0.03 -0.69 -0.69 0.00 0.00 174.62 173.72 3kjv s VAL 108 N -1.04 2.53 0.42 3.82 1.01 -1.26 -1.19 120.40 124.70 3kjv s VAL 108 Ca 0.18 -1.96 -0.03 0.00 0.00 0.00 0.00 61.98 60.18 3kjv s VAL 108 Cb -0.11 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 3kjv s VAL 108 CO 0.08 -0.38 0.68 -0.76 0.00 0.00 0.00 175.10 174.72 3kjv s LEU 109 N 1.05 3.79 -0.68 3.92 1.43 0.05 -4.87 118.68 123.37 3kjv s LEU 109 Ca 0.03 0.72 0.04 0.00 -1.03 0.00 0.00 54.13 53.89 3kjv s LEU 109 Cb -0.20 -3.64 0.33 0.00 0.03 0.00 0.00 46.19 42.71 3kjv s LEU 109 CO -0.05 -0.46 1.11 -0.67 0.23 0.00 0.00 176.35 176.51 3kjv n ASP 110 N -2.05 5.04 -4.01 2.29 4.64 -1.26 -0.94 116.55 120.26 3kjv n ASP 110 Ca -0.02 -3.67 -0.32 0.00 -1.38 0.00 0.00 54.79 49.40 3kjv n ASP 110 Cb 0.56 -0.70 -0.13 0.00 -1.04 0.00 0.00 41.12 39.81 3kjv n ASP 110 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3kjv s VAL 111 N -4.28 2.84 0.00 5.18 -7.23 -0.78 -4.12 120.40 112.02 3kjv s VAL 111 Ca 0.46 -3.00 0.00 0.00 -1.81 0.00 0.00 61.98 57.63 3kjv s VAL 111 Cb 0.25 -2.95 0.00 0.00 0.56 0.00 0.00 36.38 34.23 3kjv s VAL 111 CO -0.12 -0.78 0.00 0.61 -0.31 0.00 0.00 175.10 174.50 3kjv n GLY 112 N 3.48 0.06 0.16 2.32 0.00 -1.19 -4.69 105.19 105.31 3kjv n GLY 112 Ca 0.05 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.36 3kjv n GLY 112 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kjv n ASP 113 N 0.00 0.00 0.01 1.61 10.43 -1.26 -2.24 116.55 125.10 3kjv n ASP 113 Ca 0.00 0.00 -0.08 0.00 2.57 0.00 0.00 54.79 57.28 3kjv n ASP 113 Cb 0.00 0.00 -0.13 0.00 1.84 0.00 0.00 41.12 42.83 3kjv n ASP 113 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3kjv h ALA 114 N 0.95 0.59 0.00 2.24 0.00 -1.91 -3.38 119.26 117.75 3kjv h ALA 114 Ca 0.00 -1.24 -0.02 0.00 0.00 0.00 0.00 54.91 53.65 3kjv h ALA 114 Cb 0.00 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kjv h ALA 114 CO 0.00 1.44 -0.09 1.88 0.00 0.00 0.00 179.25 182.48 3kjv h TYR 115 N 0.00 0.00 0.00 0.00 -1.99 -1.74 -2.64 116.97 110.60 3kjv h TYR 115 Ca -0.18 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.55 3kjv h TYR 115 Cb 1.92 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.65 3kjv h TYR 115 CO 0.00 0.09 0.00 1.19 -0.00 0.00 0.00 178.16 179.44 3kjv n PHE 116 N -3.18 0.00 0.21 4.88 3.72 -1.26 -2.49 117.46 119.34 3kjv n PHE 116 Ca 0.01 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.50 3kjv n PHE 116 Cb 0.42 -0.33 0.44 0.00 -0.94 0.00 0.00 39.48 39.06 3kjv n PHE 116 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3kjv h SER 117 N 0.00 0.00 -3.33 4.37 0.02 -1.74 -3.43 113.55 109.44 3kjv h SER 117 Ca 0.00 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.30 3kjv h SER 117 Cb 0.14 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.45 3kjv h SER 117 CO 0.00 0.27 -0.71 -0.69 -1.14 0.00 0.00 176.83 174.57 3kjv s VAL 118 N -3.71 3.55 -0.25 2.27 1.01 -1.04 -5.09 120.40 117.15 3kjv s VAL 118 Ca -0.00 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 3kjv s VAL 118 Cb 0.11 -2.53 -0.00 0.00 0.00 0.00 0.00 36.38 33.95 3kjv s VAL 118 CO 0.65 0.51 1.31 -2.16 0.00 0.00 0.00 175.10 175.41 3kjv s PRO 119 N 0.30 4.01 0.58 2.72 0.04 -1.26 -1.80 135.00 139.58 3kjv s PRO 119 Ca -0.06 1.40 -0.21 0.00 0.04 0.00 0.00 61.00 62.17 3kjv s PRO 119 Cb -0.15 -3.85 -0.04 0.00 0.04 0.00 0.00 34.50 30.50 3kjv s PRO 119 CO 0.04 -1.00 1.35 -1.17 0.04 0.00 0.00 177.00 176.26 3kjv s LEU 120 N 4.15 3.76 0.12 -3.56 2.96 0.13 -4.76 118.68 121.49 3kjv s LEU 120 Ca 0.57 2.75 -0.31 0.00 -0.22 0.00 0.00 54.13 56.92 3kjv s LEU 120 Cb -0.19 -4.37 -0.09 0.00 0.50 0.00 0.00 46.19 42.04 3kjv s LEU 120 CO 0.21 -1.73 1.65 -0.62 -1.32 0.00 0.00 176.35 174.54 3kjv s ASP 121 N -1.05 6.56 0.13 3.68 2.15 -1.26 -4.69 116.67 122.19 3kjv s ASP 121 Ca 0.75 2.59 -0.28 0.00 0.43 0.00 0.00 52.55 56.04 3kjv s ASP 121 Cb -0.40 -2.58 -0.05 0.00 -0.30 0.00 0.00 42.92 39.60 3kjv s ASP 121 CO 0.46 -0.89 1.60 -0.08 -0.17 0.00 0.00 175.17 176.09 3kjv h GLU 122 N 7.77 -0.45 -0.25 4.34 4.22 -1.94 -0.12 114.58 128.15 3kjv h GLU 122 Ca -0.43 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.04 3kjv h GLU 122 Cb 1.20 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.56 3kjv h GLU 122 CO 0.93 -0.30 0.00 -0.40 -2.18 0.00 0.00 179.01 177.06 3kjv n ASP 123 N -5.43 0.25 -0.03 1.04 5.68 -1.26 -0.56 116.55 116.24 3kjv n ASP 123 Ca -0.04 -1.41 -0.01 0.00 -0.50 0.00 0.00 54.79 52.82 3kjv n ASP 123 Cb 0.35 -0.12 -0.07 0.00 -1.14 0.00 0.00 41.12 40.13 3kjv n ASP 123 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 3kjv n PHE 124 N -0.27 0.00 -0.17 2.11 7.35 -0.09 -4.67 117.46 121.72 3kjv n PHE 124 Ca 0.00 0.00 0.29 0.00 -0.76 0.00 0.00 57.45 56.98 3kjv n PHE 124 Cb 0.06 -0.35 0.70 0.00 0.35 0.00 0.00 39.48 40.24 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 0.00 0.00 -4.13 2.47 -0.42 0.78 114.38 113.08 3kjv h ARG 125 Ca -0.15 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 3kjv h ARG 125 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 3kjv h ARG 125 CO 0.01 0.00 0.00 0.36 0.56 0.00 0.00 179.97 180.90 3kjv n LYS 126 N -3.86 0.11 0.05 0.04 0.00 -1.26 -1.09 118.16 112.14 3kjv n LYS 126 Ca 0.19 0.37 0.11 0.00 -0.00 0.00 0.00 58.31 58.98 3kjv n LYS 126 Cb 1.09 -1.71 -0.04 0.00 -0.00 0.00 0.00 35.03 34.37 3kjv n LYS 126 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3kjv n TYR 127 N -1.91 0.46 1.65 5.58 4.01 0.27 -4.10 117.16 123.11 3kjv n TYR 127 Ca 0.02 0.14 0.03 0.00 -0.16 0.00 0.00 57.90 57.93 3kjv n TYR 127 Cb 0.19 -0.66 0.14 0.00 -0.31 0.00 0.00 39.34 38.70 3kjv n TYR 127 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3kjv n THR 128 N -2.33 0.14 -2.39 -0.72 -2.24 -0.25 -4.71 114.28 101.78 3kjv n THR 128 Ca -0.01 -0.15 -0.41 0.00 -2.27 0.00 0.00 64.05 61.22 3kjv n THR 128 Cb 0.52 0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 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 -1.86 3.43 0.38 6.98 0.00 -1.26 -4.23 121.76 125.21 3kjv s ALA 129 Ca 0.12 0.96 0.04 0.00 0.00 0.00 0.00 51.96 53.09 3kjv s ALA 129 Cb 0.06 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 3kjv s ALA 129 CO 0.09 -0.31 0.17 -0.59 0.00 0.00 0.00 175.76 175.11 3kjv s PHE 130 N -0.64 1.76 -0.05 0.00 -0.71 -0.45 -2.09 117.98 115.80 3kjv s PHE 130 Ca 0.49 -1.38 -0.02 0.00 -1.04 0.00 0.00 56.93 54.98 3kjv s PHE 130 Cb -0.33 -1.03 0.04 0.00 -1.21 0.00 0.00 43.02 40.48 3kjv s PHE 130 CO 0.40 -0.45 0.10 0.99 -1.34 0.00 0.00 175.22 174.93 3kjv s THR 131 N -3.29 -0.08 -0.33 -4.49 2.01 -1.26 -1.89 115.64 106.30 3kjv s THR 131 Ca 0.28 0.23 -0.12 0.00 0.31 0.00 0.00 61.69 62.39 3kjv s THR 131 Cb 0.03 -0.18 -0.02 0.00 0.01 0.00 0.00 72.50 72.33 3kjv s THR 131 CO 0.18 0.10 0.23 -0.63 -0.69 0.00 0.00 174.62 173.80 3kjv s ILE 132 N 1.34 5.23 0.70 1.82 -1.09 -0.45 -4.72 121.20 124.04 3kjv s ILE 132 Ca -0.07 -0.18 -0.12 0.00 -2.23 0.00 0.00 60.65 58.05 3kjv s ILE 132 Cb -0.12 -3.66 0.17 0.00 -1.58 0.00 0.00 42.46 37.26 3kjv s ILE 132 CO -0.05 0.03 0.84 -0.81 -1.23 0.00 0.00 174.94 173.73 3kjv n PRO 133 N 5.09 -1.34 -4.33 2.79 -0.04 -1.26 -2.62 135.00 133.29 3kjv n PRO 133 Ca -0.13 -1.32 -0.27 0.00 -0.04 0.00 0.00 63.50 61.74 3kjv n PRO 133 Cb 0.50 -0.97 -0.17 0.00 -0.04 0.00 0.00 33.50 32.82 3kjv n PRO 133 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3kjv s SER 134 N -4.03 2.20 -0.06 3.54 0.15 -1.26 -4.88 113.70 109.36 3kjv s SER 134 Ca 0.50 -0.37 -0.39 0.00 0.70 0.00 0.00 55.95 56.39 3kjv s SER 134 Cb -0.02 -0.96 -0.18 0.00 -1.71 0.00 0.00 66.02 63.14 3kjv s SER 134 CO 0.36 -0.02 1.33 -0.38 1.20 0.00 0.00 173.24 175.73 3kjv n ILE 135 N 4.31 0.04 -1.09 6.45 -0.00 -1.26 0.14 119.36 127.95 3kjv n ILE 135 Ca -0.18 -0.01 -0.08 0.00 -0.00 0.00 0.00 62.75 62.48 3kjv n ILE 135 Cb 0.51 -0.55 -0.03 0.00 -0.00 0.00 0.00 39.64 39.57 3kjv n ILE 135 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 3kjv n ASN 136 N 2.70 -3.52 -3.13 4.38 5.15 -1.26 -3.11 115.26 116.47 3kjv n ASN 136 Ca 0.21 0.20 -0.15 0.00 -0.60 0.00 0.00 54.58 54.25 3kjv n ASN 136 Cb 0.12 -2.87 0.07 0.00 -0.53 0.00 0.00 39.78 36.57 3kjv n ASN 136 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3kjv n ASN 137 N -0.09 -3.56 -0.15 1.20 3.02 0.12 -4.90 115.26 110.90 3kjv n ASN 137 Ca -0.08 -0.58 0.12 0.00 -0.03 0.00 0.00 54.58 54.01 3kjv n ASN 137 Cb 0.38 -4.67 0.24 0.00 -0.61 0.00 0.00 39.78 35.13 3kjv n ASN 137 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 3kjv n GLU 138 N -3.52 0.47 -3.79 3.52 0.28 -1.18 -4.81 120.64 111.61 3kjv n GLU 138 Ca -0.19 -0.30 -0.11 0.00 -0.16 0.00 0.00 57.16 56.40 3kjv n GLU 138 Cb 0.64 -1.49 -0.08 0.00 1.43 0.00 0.00 31.44 31.94 3kjv n GLU 138 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3kjv s THR 139 N -2.74 0.09 1.02 3.84 -4.23 -1.26 -5.13 115.64 107.23 3kjv s THR 139 Ca 0.17 -0.78 -0.18 0.00 -1.18 0.00 0.00 61.69 59.72 3kjv s THR 139 Cb 0.18 -0.97 -0.02 0.00 1.34 0.00 0.00 72.50 73.03 3kjv s THR 139 CO 0.63 -0.43 -0.30 -2.65 -0.54 0.00 0.00 174.62 171.32 3kjv n PRO 140 N 0.53 -0.56 -2.56 3.99 -0.02 -1.26 -4.52 135.00 130.60 3kjv n PRO 140 Ca -0.18 -0.14 -0.39 0.00 -2.02 0.00 0.00 63.50 60.76 3kjv n PRO 140 Cb 0.60 -1.48 -0.05 0.00 -0.02 0.00 0.00 33.50 32.55 3kjv n PRO 140 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3kjv s GLY 141 N -1.57 3.02 -0.21 -1.23 0.00 -1.26 -4.79 107.32 101.27 3kjv s GLY 141 Ca 0.49 0.79 -0.16 0.00 0.00 0.00 0.00 44.72 45.84 3kjv s GLY 141 CO 0.70 1.35 0.42 -0.42 0.00 0.00 0.00 173.10 175.16 3kjv s ILE 142 N -1.26 5.17 -0.06 0.90 1.09 -1.08 -4.87 121.20 121.09 3kjv s ILE 142 Ca 0.46 0.74 -0.02 0.00 -1.10 0.00 0.00 60.65 60.73 3kjv s ILE 142 Cb -0.29 -3.75 -0.04 0.00 -1.06 0.00 0.00 42.46 37.33 3kjv s ILE 142 CO 0.36 0.21 0.05 -0.13 -0.10 0.00 0.00 174.94 175.34 3kjv s ARG 143 N 1.54 3.07 0.30 2.79 0.52 -1.26 -1.34 118.95 124.57 3kjv s ARG 143 Ca 0.19 -0.41 0.04 0.00 -0.52 0.00 0.00 55.73 55.04 3kjv s ARG 143 Cb -0.15 -2.87 -0.06 0.00 0.52 0.00 0.00 34.95 32.39 3kjv s ARG 143 CO 0.09 0.69 0.04 0.71 0.02 0.00 0.00 175.30 176.84 3kjv s TYR 144 N -1.03 1.90 -0.10 -0.53 2.02 -0.79 -0.90 117.35 117.92 3kjv s TYR 144 Ca 0.17 -0.93 -0.07 0.00 -0.37 0.00 0.00 57.07 55.87 3kjv s TYR 144 Cb -0.12 -1.20 0.03 0.00 -0.40 0.00 0.00 41.96 40.28 3kjv s TYR 144 CO 0.07 0.02 0.24 1.14 -1.57 0.00 0.00 175.55 175.46 3kjv s GLN 145 N -3.87 0.25 0.49 -0.62 -2.07 -0.60 -1.34 119.66 111.88 3kjv s GLN 145 Ca 0.35 0.42 -0.23 0.00 -1.82 0.00 0.00 55.36 54.08 3kjv s GLN 145 Cb 0.08 0.02 -0.07 0.00 -1.09 0.00 0.00 33.01 31.95 3kjv s GLN 145 CO 0.14 -0.09 1.25 0.71 -1.32 0.00 0.00 175.29 175.97 3kjv s TYR 146 N 0.64 2.66 -0.34 9.60 1.51 -1.26 -1.67 117.35 128.49 3kjv s TYR 146 Ca -0.04 1.47 0.03 0.00 -1.01 0.00 0.00 57.07 57.51 3kjv s TYR 146 Cb -0.06 -3.55 0.02 0.00 -0.11 0.00 0.00 41.96 38.26 3kjv s TYR 146 CO -0.04 -2.06 0.59 0.09 -1.11 0.00 0.00 175.55 173.03 3kjv n ASN 147 N -0.64 1.24 -3.75 2.29 4.13 -0.69 -4.63 115.26 113.20 3kjv n ASN 147 Ca 0.08 -1.12 -0.13 0.00 1.68 0.00 0.00 54.58 55.09 3kjv n ASN 147 Cb 0.47 -0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.57 3kjv n ASN 147 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 3kjv s VAL 148 N -0.23 -0.03 -0.02 2.41 -7.23 -1.24 0.23 120.40 114.28 3kjv s VAL 148 Ca 0.03 0.11 -0.02 0.00 -1.81 0.00 0.00 61.98 60.29 3kjv s VAL 148 Cb 0.02 -0.32 -0.01 0.00 0.56 0.00 0.00 36.38 36.63 3kjv s VAL 148 CO 0.03 0.05 0.10 0.18 -0.31 0.00 0.00 175.10 175.15 3kjv n LEU 149 N 3.84 0.04 -4.80 1.32 4.77 -0.75 -4.64 117.00 116.78 3kjv n LEU 149 Ca -0.22 0.03 -0.34 0.00 -0.03 0.00 0.00 56.01 55.45 3kjv n LEU 149 Cb 0.54 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 3kjv n LEU 149 CO 0.17 -0.04 0.66 -2.16 -1.33 0.00 0.00 177.39 174.69 3kjv s PRO 150 N 0.28 4.29 0.24 3.23 0.04 -1.26 -4.04 135.00 137.78 3kjv s PRO 150 Ca 0.06 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 62.02 3kjv s PRO 150 Cb -0.07 -2.37 -0.10 0.00 0.04 0.00 0.00 34.50 32.00 3kjv s PRO 150 CO 0.03 0.01 1.41 -0.65 0.04 0.00 0.00 177.00 177.85 3kjv s GLN 151 N -2.82 4.29 0.00 4.56 -0.21 -1.26 -3.66 119.66 120.56 3kjv s GLN 151 Ca 0.59 2.25 0.00 0.00 0.02 0.00 0.00 55.36 58.22 3kjv s GLN 151 Cb -0.13 -3.12 0.00 0.00 1.00 0.00 0.00 33.01 30.75 3kjv s GLN 151 CO 0.18 -0.38 0.00 0.41 -2.12 0.00 0.00 175.29 173.38 3kjv n GLY 152 N 2.19 0.71 3.51 3.09 0.00 -1.26 -4.51 105.19 108.92 3kjv n GLY 152 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 3.07 -0.32 1.61 -0.00 -1.24 -4.44 118.94 115.62 3kjv s TRP 153 Ca 0.00 -0.26 -0.28 0.00 -0.00 0.00 0.00 56.10 55.56 3kjv s TRP 153 Cb 0.00 -2.00 -0.06 0.00 -0.00 0.00 0.00 33.47 31.41 3kjv s TRP 153 CO 0.00 -0.04 2.28 1.17 -0.00 0.00 0.00 176.95 180.37 3kjv n LYS 154 N 3.64 1.60 0.00 5.86 4.81 -1.26 -2.49 118.16 130.33 3kjv n LYS 154 Ca -0.17 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 3kjv n LYS 154 Cb 0.52 -3.20 0.00 0.00 0.02 0.00 0.00 35.03 32.38 3kjv n LYS 154 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kjv n GLY 155 N 5.93 3.00 0.21 3.14 0.00 -1.26 -4.96 105.19 111.25 3kjv n GLY 155 Ca 0.34 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 3kjv n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3kjv h SER 156 N 0.66 -0.45 -0.92 1.61 0.02 -1.74 -0.60 113.55 112.12 3kjv h SER 156 Ca 0.00 0.02 0.16 0.00 -0.84 0.00 0.00 61.79 61.12 3kjv h SER 156 Cb 0.00 0.12 -0.08 0.00 0.14 0.00 0.00 62.40 62.58 3kjv h SER 156 CO 0.00 -0.30 0.59 -0.65 -1.14 0.00 0.00 176.83 175.33 3kjv h PRO 157 N -0.58 0.67 0.00 3.45 0.11 -1.84 -0.45 132.00 133.36 3kjv h PRO 157 Ca -0.05 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3kjv h PRO 157 Cb 0.41 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.37 3kjv h PRO 157 CO 0.09 0.44 0.00 0.00 -0.21 0.00 0.00 178.00 178.32 3kjv n ALA 158 N -2.42 -0.31 -0.33 -0.75 0.00 -1.20 -1.05 120.51 114.45 3kjv n ALA 158 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.77 3kjv n ALA 158 Cb 0.51 0.16 0.36 0.00 0.00 0.00 0.00 19.45 20.48 3kjv n ALA 158 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3kjv h ILE 159 N 0.00 0.70 0.00 0.00 2.04 0.04 -2.40 117.51 117.89 3kjv h ILE 159 Ca 0.00 -0.24 -0.17 0.00 1.00 0.00 0.00 64.86 65.46 3kjv h ILE 159 Cb 0.00 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.00 3kjv h ILE 159 CO 0.00 0.13 -0.88 0.15 0.00 0.00 0.00 178.15 177.54 3kjv h PHE 160 N 0.69 0.00 -0.94 1.37 3.57 -0.99 -3.33 116.94 117.31 3kjv h PHE 160 Ca 0.56 0.00 0.21 0.00 3.53 0.00 0.00 57.97 62.27 3kjv h PHE 160 Cb 0.97 0.00 -0.18 0.00 2.79 0.00 0.00 35.95 39.53 3kjv h PHE 160 CO -0.00 0.74 -0.15 0.37 -2.23 0.00 0.00 178.31 177.03 3kjv h GLN 161 N 0.00 0.01 -0.69 1.11 4.15 -0.55 0.87 115.11 120.02 3kjv h GLN 161 Ca -0.04 -0.00 0.22 0.00 0.77 0.00 0.00 58.65 59.59 3kjv h GLN 161 Cb 1.60 -0.00 -0.13 0.00 0.21 0.00 0.00 27.48 29.16 3kjv h GLN 161 CO 0.09 0.01 0.12 -1.13 -1.93 0.00 0.00 178.83 175.98 3kjv n SER 162 N -5.55 0.01 -0.03 -0.69 3.41 -1.25 0.00 113.62 109.52 3kjv n SER 162 Ca 0.17 1.16 0.04 0.00 -0.26 0.00 0.00 58.87 59.98 3kjv n SER 162 Cb 0.54 -0.47 -0.14 0.00 -0.26 0.00 0.00 64.21 63.89 3kjv n SER 162 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3kjv n SER 163 N -4.82 0.89 -0.28 4.04 7.64 0.28 -3.34 113.62 118.03 3kjv n SER 163 Ca 0.19 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 60.01 3kjv n SER 163 Cb 0.64 1.58 0.06 0.00 -1.01 0.00 0.00 64.21 65.48 3kjv n SER 163 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 3kjv h MET 164 N 0.00 1.15 -0.25 1.43 -1.53 0.15 0.15 114.93 116.03 3kjv h MET 164 Ca -0.12 -0.20 -0.17 0.00 -3.44 0.00 0.00 59.70 55.77 3kjv h MET 164 Cb 1.14 -0.19 -0.00 0.00 -0.55 0.00 0.00 31.60 32.00 3kjv h MET 164 CO 0.01 0.92 -0.52 0.00 0.14 0.00 0.00 176.91 177.45 3kjv h THR 165 N 1.11 1.30 -0.05 -0.77 1.03 -0.52 0.52 112.91 115.53 3kjv h THR 165 Ca 0.26 -1.73 0.02 0.00 -0.01 0.00 0.00 66.41 64.95 3kjv h THR 165 Cb 0.19 1.66 -0.02 0.00 -1.07 0.00 0.00 68.15 68.91 3kjv h THR 165 CO -0.02 0.55 -0.06 0.11 -0.01 0.00 0.00 175.52 176.09 3kjv h LYS 166 N 0.56 -0.09 -0.36 0.00 1.57 -1.53 0.14 116.57 116.86 3kjv h LYS 166 Ca 0.02 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 3kjv h LYS 166 Cb 1.09 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.38 3kjv h LYS 166 CO 0.11 -0.06 0.08 0.82 -0.57 0.00 0.00 179.45 179.83 3kjv h ILE 167 N -0.09 0.83 0.00 1.86 2.04 -0.11 -2.87 117.51 119.16 3kjv h ILE 167 Ca 0.04 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 3kjv h ILE 167 Cb 0.15 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3kjv h ILE 167 CO -0.10 0.04 -0.15 -0.07 0.00 0.00 0.00 178.15 177.87 3kjv h LEU 168 N 0.20 0.00 -0.40 1.44 3.38 0.08 -3.40 115.31 116.61 3kjv h LEU 168 Ca 0.17 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.18 3kjv h LEU 168 Cb 0.19 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3kjv h LEU 168 CO -0.22 0.14 -0.23 1.21 0.09 0.00 0.00 178.44 179.42 3kjv n GLU 169 N -3.13 -0.17 0.17 1.13 0.00 0.03 -0.58 120.64 118.08 3kjv n GLU 169 Ca 0.03 0.88 0.02 0.00 0.00 0.00 0.00 57.16 58.10 3kjv n GLU 169 Cb 0.59 -1.31 0.28 0.00 0.00 0.00 0.00 31.44 30.99 3kjv n GLU 169 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 3kjv h PRO 170 N 0.00 0.00 -0.06 5.31 0.13 -1.80 -1.62 132.00 133.96 3kjv h PRO 170 Ca 0.06 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.01 3kjv h PRO 170 Cb 0.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.29 3kjv h PRO 170 CO -0.37 0.48 -0.76 0.35 -0.23 0.00 0.00 178.00 177.47 3kjv h PHE 171 N 0.00 0.52 -0.35 1.56 3.04 -1.11 -0.07 116.94 120.54 3kjv h PHE 171 Ca -0.00 -0.24 -0.14 0.00 3.98 0.00 0.00 57.97 61.56 3kjv h PHE 171 Cb 0.91 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.33 3kjv h PHE 171 CO 0.00 1.00 -0.36 0.00 -2.02 0.00 0.00 178.31 176.93 3kjv h ARG 172 N 0.25 0.80 0.34 1.11 2.47 -0.67 -2.68 114.38 116.00 3kjv h ARG 172 Ca -0.04 -0.40 -0.02 0.00 -1.26 0.00 0.00 59.98 58.27 3kjv h ARG 172 Cb 1.35 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.67 3kjv h ARG 172 CO 0.13 1.03 -0.16 -0.22 0.56 0.00 0.00 179.97 181.31 3kjv h LYS 173 N 0.67 -0.43 -0.53 0.04 3.64 -1.18 -3.31 116.57 115.46 3kjv h LYS 173 Ca 0.06 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.58 3kjv h LYS 173 Cb 0.91 0.10 -0.11 0.00 -0.41 0.00 0.00 32.23 32.73 3kjv h LYS 173 CO 0.08 -0.29 -0.21 0.37 -2.27 0.00 0.00 179.45 177.13 3kjv h GLN 174 N -0.80 -0.09 -4.27 1.90 4.15 -1.15 -3.27 115.11 111.59 3kjv h GLN 174 Ca -0.05 0.01 -0.74 0.00 0.77 0.00 0.00 58.65 58.64 3kjv h GLN 174 Cb 0.35 0.02 -0.23 0.00 0.21 0.00 0.00 27.48 27.83 3kjv h GLN 174 CO 0.08 -0.06 -0.04 -0.80 -1.93 0.00 0.00 178.83 176.08 3kjv s ASN 175 N -5.18 6.28 0.03 -0.69 0.01 -1.01 -4.91 114.94 109.47 3kjv s ASN 175 Ca -0.14 -1.81 -0.02 0.00 -0.71 0.00 0.00 52.86 50.18 3kjv s ASN 175 Cb 0.17 -2.24 -0.27 0.00 0.41 0.00 0.00 41.25 39.31 3kjv s ASN 175 CO 0.71 -0.91 0.97 1.55 -1.51 0.00 0.00 177.10 177.91 3kjv h PRO 176 N 8.83 0.22 0.00 -0.60 0.13 -1.64 -3.34 132.00 135.60 3kjv h PRO 176 Ca -0.23 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 3kjv h PRO 176 Cb 1.09 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3kjv h PRO 176 CO 1.02 1.10 0.00 -0.44 -0.23 0.00 0.00 178.00 179.46 3kjv h ASP 177 N 0.06 0.00 -3.19 1.44 5.19 -1.91 -3.43 116.42 114.58 3kjv h ASP 177 Ca -0.19 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.63 3kjv h ASP 177 Cb 1.98 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 41.43 3kjv h ASP 177 CO 0.17 0.00 -0.16 -0.63 -3.12 0.00 0.00 179.24 175.50 3kjv s ILE 178 N -3.56 5.07 -0.20 0.35 1.01 -1.25 -4.69 121.20 117.93 3kjv s ILE 178 Ca 0.02 0.92 -0.05 0.00 0.00 0.00 0.00 60.65 61.54 3kjv s ILE 178 Cb 0.09 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 3kjv s ILE 178 CO 0.49 0.46 0.01 0.54 0.00 0.00 0.00 174.94 176.43 3kjv s VAL 179 N -0.27 4.02 -0.18 2.92 0.11 -0.98 -4.93 120.40 121.10 3kjv s VAL 179 Ca 0.25 -0.29 -0.09 0.00 -2.93 0.00 0.00 61.98 58.92 3kjv s VAL 179 Cb -0.16 -2.82 -0.05 0.00 -1.53 0.00 0.00 36.38 31.82 3kjv s VAL 179 CO 0.12 0.42 0.12 -0.63 -3.33 0.00 0.00 175.10 171.80 3kjv s ILE 180 N 0.99 5.29 0.06 7.04 1.01 -1.26 0.11 121.20 134.43 3kjv s ILE 180 Ca 0.02 0.14 0.06 0.00 0.00 0.00 0.00 60.65 60.87 3kjv s ILE 180 Cb -0.14 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 3kjv s ILE 180 CO 0.02 0.48 -0.16 -0.47 0.00 0.00 0.00 174.94 174.81 3kjv s TYR 181 N 0.05 1.42 -0.23 3.97 5.04 0.51 -4.97 117.35 123.14 3kjv s TYR 181 Ca 0.09 -0.39 -0.00 0.00 -2.44 0.00 0.00 57.07 54.32 3kjv s TYR 181 Cb -0.11 -0.82 0.06 0.00 0.35 0.00 0.00 41.96 41.44 3kjv s TYR 181 CO -0.00 0.08 -0.02 -1.14 -1.34 0.00 0.00 175.55 173.13 3kjv s GLN 182 N -1.39 1.30 -0.13 4.97 0.74 -1.26 0.90 119.66 124.79 3kjv s GLN 182 Ca 0.03 -0.86 0.00 0.00 0.05 0.00 0.00 55.36 54.58 3kjv s GLN 182 Cb -0.09 -2.44 0.02 0.00 1.10 0.00 0.00 33.01 31.60 3kjv s GLN 182 CO 0.02 -0.64 -0.12 -0.47 -0.55 0.00 0.00 175.29 173.53 3kjv s TYR 183 N 1.52 1.89 0.00 1.67 5.04 -1.12 -5.04 117.35 121.32 3kjv s TYR 183 Ca -0.03 -0.98 0.00 0.00 -2.44 0.00 0.00 57.07 53.61 3kjv s TYR 183 Cb -0.18 -1.43 0.00 0.00 0.35 0.00 0.00 41.96 40.70 3kjv s TYR 183 CO -0.08 -0.57 0.00 -1.33 -1.34 0.00 0.00 175.55 172.24 3kjv n MET 184 N 4.67 0.00 0.08 4.97 2.81 -1.26 -2.04 117.12 126.34 3kjv n MET 184 Ca -0.16 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 55.86 3kjv n MET 184 Cb 0.50 0.00 0.47 0.00 -0.71 0.00 0.00 33.22 33.48 3kjv n MET 184 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3kjv n ASP 185 N 2.66 0.56 -4.85 7.83 8.00 -1.26 -4.69 116.55 124.80 3kjv n ASP 185 Ca 0.00 0.56 -0.33 0.00 0.71 0.00 0.00 54.79 55.73 3kjv n ASP 185 Cb 0.00 -0.71 -0.06 0.00 -0.02 0.00 0.00 41.12 40.33 3kjv n ASP 185 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3kjv s ASP 186 N -4.04 6.78 -0.24 -2.24 -0.00 -0.86 -1.86 116.67 114.21 3kjv s ASP 186 Ca 0.11 1.15 0.02 0.00 -0.00 0.00 0.00 52.55 53.83 3kjv s ASP 186 Cb 0.14 -2.32 0.05 0.00 -0.00 0.00 0.00 42.92 40.79 3kjv s ASP 186 CO 0.54 -0.06 -0.13 -0.22 -0.00 0.00 0.00 175.17 175.30 3kjv s LEU 187 N -2.56 3.10 -0.37 1.23 2.96 -0.11 -2.79 118.68 120.14 3kjv s LEU 187 Ca 0.47 -1.20 -0.17 0.00 -0.22 0.00 0.00 54.13 53.02 3kjv s LEU 187 Cb -0.12 -1.53 -0.00 0.00 0.50 0.00 0.00 46.19 45.03 3kjv s LEU 187 CO 0.19 -0.14 0.43 -0.31 -1.32 0.00 0.00 176.35 175.21 3kjv s TYR 188 N 1.15 3.19 -0.05 5.38 2.02 0.26 -0.77 117.35 128.53 3kjv s TYR 188 Ca -0.05 -0.05 0.06 0.00 -0.37 0.00 0.00 57.07 56.65 3kjv s TYR 188 Cb -0.18 -2.82 -0.02 0.00 -0.40 0.00 0.00 41.96 38.55 3kjv s TYR 188 CO -0.07 -0.54 -0.23 0.08 -1.57 0.00 0.00 175.55 173.22 3kjv s VAL 189 N 2.18 2.29 0.11 0.71 1.01 -0.33 0.19 120.40 126.56 3kjv s VAL 189 Ca 0.14 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.19 3kjv s VAL 189 Cb -0.16 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3kjv s VAL 189 CO 0.13 0.57 -0.15 -0.83 0.00 0.00 0.00 175.10 174.82 3kjv s GLY 190 N -0.36 1.06 -0.02 4.51 0.00 0.12 -0.96 107.32 111.68 3kjv s GLY 190 Ca 0.03 -1.24 -0.29 0.00 0.00 0.00 0.00 44.72 43.22 3kjv s GLY 190 CO 0.02 -1.28 0.71 -1.35 0.00 0.00 0.00 173.10 171.20 3kjv s SER 191 N -2.26 -0.59 0.00 1.64 1.04 -0.94 -2.31 113.70 110.27 3kjv s SER 191 Ca 0.07 0.48 0.21 0.00 0.48 0.00 0.00 55.95 57.19 3kjv s SER 191 Cb -0.06 0.52 0.73 0.00 0.10 0.00 0.00 66.02 67.30 3kjv s SER 191 CO 0.03 -0.66 1.54 0.47 0.98 0.00 0.00 173.24 175.60 3kjv n ASP 192 N 0.54 1.77 -4.71 7.02 8.00 -1.26 -2.49 116.55 125.42 3kjv n ASP 192 Ca -0.17 -1.73 -0.37 0.00 0.71 0.00 0.00 54.79 53.23 3kjv n ASP 192 Cb 0.59 -0.11 0.06 0.00 -0.02 0.00 0.00 41.12 41.64 3kjv n ASP 192 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kjv n LEU 193 N 0.39 5.56 -4.77 0.64 4.77 -1.26 -4.89 117.00 117.44 3kjv n LEU 193 Ca 0.16 0.84 -0.41 0.00 -0.03 0.00 0.00 56.01 56.58 3kjv n LEU 193 Cb 0.35 -1.53 -0.02 0.00 -2.33 0.00 0.00 43.42 39.89 3kjv n LEU 193 CO 0.13 -1.11 1.00 -1.83 -1.33 0.00 0.00 177.39 174.25 3kjv s GLU 194 N -3.20 4.33 0.15 3.23 -1.05 -1.26 -4.63 118.70 116.27 3kjv s GLU 194 Ca 0.80 2.25 -0.31 0.00 -0.15 0.00 0.00 54.97 57.56 3kjv s GLU 194 Cb -0.39 -3.07 -0.11 0.00 -0.44 0.00 0.00 34.13 30.12 3kjv s GLU 194 CO 0.42 -0.23 1.80 -1.50 0.95 0.00 0.00 175.26 176.70 3kjv s ILE 195 N -1.04 2.39 0.00 1.83 -1.16 -1.26 -0.31 121.20 121.64 3kjv s ILE 195 Ca 0.50 0.04 0.00 0.00 -0.51 0.00 0.00 60.65 60.68 3kjv s ILE 195 Cb -0.40 -3.03 0.00 0.00 0.61 0.00 0.00 42.46 39.64 3kjv s ILE 195 CO 0.53 0.00 0.00 0.61 -2.81 0.00 0.00 174.94 173.27 3kjv n GLY 196 N 4.16 3.20 0.06 1.50 0.00 -1.26 -4.69 105.19 108.16 3kjv n GLY 196 Ca 0.17 -1.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.08 3kjv n GLY 196 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kjv h GLN 197 N 0.00 0.01 0.52 1.61 4.20 -1.02 -3.24 115.11 117.18 3kjv h GLN 197 Ca 0.00 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 3kjv h GLN 197 Cb 0.00 0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.79 3kjv h GLN 197 CO 0.00 1.00 -0.25 1.25 -0.67 0.00 0.00 178.83 180.17 3kjv h HIS 198 N 0.00 -0.64 -0.58 2.96 2.76 -1.01 -3.00 115.15 115.64 3kjv h HIS 198 Ca -0.01 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 3kjv h HIS 198 Cb 1.77 0.21 -0.03 0.00 1.55 0.00 0.00 27.41 30.92 3kjv h HIS 198 CO 0.00 -0.33 0.26 0.00 -1.30 0.00 0.00 177.93 176.57 3kjv h ARG 199 N -0.90 0.82 0.00 5.26 3.08 -1.84 0.77 114.38 121.57 3kjv h ARG 199 Ca -0.07 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 3kjv h ARG 199 Cb 0.61 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 3kjv h ARG 199 CO 0.12 0.65 -0.13 1.15 -1.07 0.00 0.00 179.97 180.69 3kjv h THR 200 N 0.82 1.02 0.07 2.04 2.02 -1.60 0.30 112.91 117.56 3kjv h THR 200 Ca 0.20 -0.45 -0.17 0.00 0.77 0.00 0.00 66.41 66.76 3kjv h THR 200 Cb 0.12 1.25 0.02 0.00 -1.74 0.00 0.00 68.15 67.79 3kjv h THR 200 CO -0.02 0.13 -0.72 0.11 0.37 0.00 0.00 175.52 175.38 3kjv h LYS 201 N 0.00 0.37 0.00 6.66 1.79 -0.93 -2.60 116.57 121.86 3kjv h LYS 201 Ca -0.00 -0.49 -0.05 0.00 -2.18 0.00 0.00 60.65 57.93 3kjv h LYS 201 Cb 0.24 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 3kjv h LYS 201 CO 0.02 1.17 -0.25 0.82 -1.08 0.00 0.00 179.45 180.13 3kjv h ILE 202 N -0.20 0.88 0.00 1.86 1.08 -0.03 0.19 117.51 121.29 3kjv h ILE 202 Ca -0.11 -0.95 -0.10 0.00 -0.39 0.00 0.00 64.86 63.31 3kjv h ILE 202 Cb 1.48 1.56 -0.01 0.00 -3.07 0.00 0.00 36.82 36.77 3kjv h ILE 202 CO 0.14 0.24 -0.49 -0.08 -0.69 0.00 0.00 178.15 177.27 3kjv h GLU 203 N 0.00 0.00 -0.27 2.37 4.57 -0.53 -2.21 114.58 118.51 3kjv h GLU 203 Ca -0.00 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.05 3kjv h GLU 203 Cb 0.54 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 3kjv h GLU 203 CO 0.03 0.47 -0.35 1.49 -1.18 0.00 0.00 179.01 179.46 3kjv h GLU 204 N 0.00 0.60 0.10 1.92 4.81 -0.55 -1.60 114.58 119.87 3kjv h GLU 204 Ca -0.01 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3kjv h GLU 204 Cb 1.37 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.74 3kjv h GLU 204 CO 0.06 0.87 -0.05 1.25 -0.73 0.00 0.00 179.01 180.41 3kjv h LEU 205 N 0.51 -0.11 -1.41 1.64 6.46 -0.61 -2.51 115.31 119.27 3kjv h LEU 205 Ca 0.05 -0.15 0.01 0.00 -0.12 0.00 0.00 57.88 57.67 3kjv h LEU 205 Cb 0.85 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.78 3kjv h LEU 205 CO 0.07 0.09 0.41 -0.09 -0.62 0.00 0.00 178.44 178.30 3kjv h ARG 206 N -0.31 0.78 0.00 1.25 2.43 -1.31 0.21 114.38 117.44 3kjv h ARG 206 Ca -0.01 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.04 3kjv h ARG 206 Cb 0.26 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3kjv h ARG 206 CO 0.02 0.52 -0.32 1.96 -1.51 0.00 0.00 179.97 180.64 3kjv h GLN 207 N 0.80 0.00 0.05 0.20 1.08 -1.24 -2.82 115.11 113.19 3kjv h GLN 207 Ca 0.23 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.43 3kjv h GLN 207 Cb -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 3kjv h GLN 207 CO -0.05 0.32 -0.03 1.25 -0.95 0.00 0.00 178.83 179.37 3kjv h HIS 208 N 0.00 -0.07 0.00 2.96 2.76 -0.57 -3.24 115.15 116.99 3kjv h HIS 208 Ca -0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3kjv h HIS 208 Cb 0.84 0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.82 3kjv h HIS 208 CO 0.00 0.43 0.01 1.28 -1.30 0.00 0.00 177.93 178.35 3kjv n LEU 209 N -4.77 0.00 -3.76 0.26 4.77 0.56 -3.56 117.00 110.50 3kjv n LEU 209 Ca -0.06 0.16 -0.42 0.00 -0.03 0.00 0.00 56.01 55.66 3kjv n LEU 209 Cb 0.26 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3kjv n LEU 209 CO 0.20 -0.16 2.35 0.18 -1.33 0.00 0.00 177.39 178.63 3kjv n LEU 210 N -1.15 6.91 0.00 2.23 4.77 -1.07 -5.06 117.00 123.63 3kjv n LEU 210 Ca 0.00 -4.43 0.00 0.00 -0.03 0.00 0.00 56.01 51.55 3kjv n LEU 210 Cb 0.01 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 39.55 3kjv n LEU 210 CO 0.00 1.33 0.00 -1.14 -1.33 0.00 0.00 177.39 176.25 3kjv n ARG 211 N 4.69 0.00 -3.70 3.23 3.00 -1.23 -5.05 116.66 117.59 3kjv n ARG 211 Ca 0.48 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 58.14 3kjv n ARG 211 Cb 0.36 0.00 -0.18 0.00 0.00 0.00 0.00 32.46 32.65 3kjv n ARG 211 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 3kjv s GLU 233 N -0.06 -0.02 -0.05 -0.14 2.12 -1.26 -5.12 118.70 114.18 3kjv s GLU 233 Ca 0.00 0.32 -0.15 0.00 0.36 0.00 0.00 54.97 55.50 3kjv s GLU 233 Cb 0.00 -0.49 -0.05 0.00 0.26 0.00 0.00 34.13 33.85 3kjv s GLU 233 CO 0.00 -0.29 0.40 -0.51 -0.54 0.00 0.00 175.26 174.31 3kjv s LEU 234 N 1.92 4.41 -0.55 2.70 1.02 -0.20 -4.93 118.68 123.04 3kjv s LEU 234 Ca 0.02 0.86 0.04 0.00 0.02 0.00 0.00 54.13 55.07 3kjv s LEU 234 Cb -0.12 -2.56 0.14 0.00 0.02 0.00 0.00 46.19 43.67 3kjv s LEU 234 CO -0.03 0.24 0.31 -1.00 0.02 0.00 0.00 176.35 175.88 3kjv s HIS 235 N -0.56 3.17 0.19 0.29 3.76 -1.26 0.80 115.29 121.69 3kjv s HIS 235 Ca 0.23 -3.16 -0.11 0.00 -0.15 0.00 0.00 55.06 51.87 3kjv s HIS 235 Cb -0.16 -2.73 0.12 0.00 1.11 0.00 0.00 32.58 30.92 3kjv s HIS 235 CO 0.11 -0.70 1.79 -1.35 -0.85 0.00 0.00 174.74 173.74 3kjv h PRO 236 N 6.28 0.98 0.00 8.40 0.11 -1.73 -2.37 132.00 143.67 3kjv h PRO 236 Ca -0.03 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3kjv h PRO 236 Cb 0.87 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3kjv h PRO 236 CO 0.68 0.76 0.00 -3.47 -0.21 0.00 0.00 178.00 175.76 3kjv n ASP 237 N -4.47 0.00 -0.00 -2.05 -0.08 -1.17 -1.88 116.55 106.90 3kjv n ASP 237 Ca 0.05 -0.13 0.05 0.00 -1.51 0.00 0.00 54.79 53.26 3kjv n ASP 237 Cb 0.11 -0.06 -0.07 0.00 2.34 0.00 0.00 41.12 43.45 3kjv n ASP 237 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3kjv n LYS 238 N -1.06 2.39 -1.74 -0.67 5.02 -0.89 -5.01 118.16 116.20 3kjv n LYS 238 Ca 0.05 -0.04 -0.39 0.00 -2.02 0.00 0.00 58.31 55.91 3kjv n LYS 238 Cb 0.03 -1.08 0.03 0.00 -0.02 0.00 0.00 35.03 34.00 3kjv n LYS 238 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3kjv n TRP 239 N -1.48 2.33 -4.17 2.13 8.01 -0.79 -5.00 117.44 118.47 3kjv n TRP 239 Ca 0.00 0.44 -0.16 0.00 -1.31 0.00 0.00 57.50 56.47 3kjv n TRP 239 Cb 0.20 -2.38 -0.12 0.00 -2.01 0.00 0.00 31.31 27.00 3kjv n TRP 239 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.69 176.60 3kjv s THR 240 N -1.26 0.82 -0.18 -0.99 -1.32 -1.26 -5.11 115.64 106.33 3kjv s THR 240 Ca 0.68 -1.03 -0.11 0.00 -1.21 0.00 0.00 61.69 60.02 3kjv s THR 240 Cb -0.43 -0.80 -0.05 0.00 -1.51 0.00 0.00 72.50 69.70 3kjv s THR 240 CO 0.52 -0.19 0.19 -0.69 -2.21 0.00 0.00 174.62 172.24 3kjv s VAL 241 N -1.09 5.37 -0.44 5.08 1.01 -1.26 -4.60 120.40 124.48 3kjv s VAL 241 Ca -0.04 0.32 -0.16 0.00 0.00 0.00 0.00 61.98 62.10 3kjv s VAL 241 Cb -0.09 -3.53 0.04 0.00 0.00 0.00 0.00 36.38 32.81 3kjv s VAL 241 CO 0.01 0.43 0.39 -1.58 0.00 0.00 0.00 175.10 174.35 3kjv s GLN 242 N 0.32 3.01 1.13 2.72 -0.44 -1.06 -5.00 119.66 120.35 3kjv s GLN 242 Ca 0.11 -1.05 -0.17 0.00 -2.50 0.00 0.00 55.36 51.75 3kjv s GLN 242 Cb -0.12 -4.03 0.25 0.00 -1.64 0.00 0.00 33.01 27.47 3kjv s GLN 242 CO 0.00 -0.90 1.13 -1.25 0.50 0.00 0.00 175.29 174.78 3kjv s PRO 243 N 1.85 -0.64 0.16 1.67 0.04 -1.26 -4.52 135.00 132.30 3kjv s PRO 243 Ca 0.07 -0.00 -0.30 0.00 0.04 0.00 0.00 61.00 60.81 3kjv s PRO 243 Cb -0.20 -1.66 -0.07 0.00 0.04 0.00 0.00 34.50 32.61 3kjv s PRO 243 CO 0.10 -3.34 0.97 0.42 0.04 0.00 0.00 177.00 175.20 3kjv s ILE 244 N -3.12 4.30 -0.01 0.56 1.01 -1.26 -5.04 121.20 117.64 3kjv s ILE 244 Ca 0.70 2.02 0.03 0.00 0.00 0.00 0.00 60.65 63.41 3kjv s ILE 244 Cb -0.11 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.06 3kjv s ILE 244 CO 0.56 0.36 -0.11 0.54 0.00 0.00 0.00 174.94 176.29 3kjv s VAL 245 N -0.37 0.90 0.02 2.92 0.11 -1.26 -4.87 120.40 117.84 3kjv s VAL 245 Ca 0.45 -0.49 -0.12 0.00 -2.93 0.00 0.00 61.98 58.90 3kjv s VAL 245 Cb -0.25 -0.76 -0.06 0.00 -1.53 0.00 0.00 36.38 33.79 3kjv s VAL 245 CO 0.31 0.26 0.38 -0.76 -3.33 0.00 0.00 175.10 171.96 3kjv s LEU 246 N -0.24 4.43 0.09 2.54 2.01 -1.26 -4.97 118.68 121.27 3kjv s LEU 246 Ca 0.04 0.86 -0.31 0.00 0.01 0.00 0.00 54.13 54.74 3kjv s LEU 246 Cb -0.05 -2.67 -0.09 0.00 0.01 0.00 0.00 46.19 43.38 3kjv s LEU 246 CO -0.00 0.28 1.80 -2.16 1.01 0.00 0.00 176.35 177.28 3kjv s PRO 247 N -1.35 4.15 -0.23 1.29 0.04 -1.26 -5.00 135.00 132.65 3kjv s PRO 247 Ca 0.26 2.52 -0.15 0.00 0.04 0.00 0.00 61.00 63.67 3kjv s PRO 247 Cb -0.15 -3.70 -0.04 0.00 0.04 0.00 0.00 34.50 30.65 3kjv s PRO 247 CO 0.14 -0.84 0.37 -1.21 0.04 0.00 0.00 177.00 175.51 3kjv s GLU 248 N 3.04 4.11 0.14 4.56 2.02 -1.26 -5.07 118.70 126.24 3kjv s GLU 248 Ca 0.80 0.11 -0.18 0.00 0.02 0.00 0.00 54.97 55.72 3kjv s GLU 248 Cb -0.44 -3.57 0.04 0.00 0.10 0.00 0.00 34.13 30.26 3kjv s GLU 248 CO 0.36 -0.11 0.46 -1.59 0.02 0.00 0.00 175.26 174.41 3kjv s LYS 249 N 1.53 1.15 0.00 1.61 -2.85 -1.26 -5.07 119.74 114.86 3kjv s LYS 249 Ca 0.17 -0.65 0.25 0.00 -1.00 0.00 0.00 55.97 54.73 3kjv s LYS 249 Cb -0.15 0.51 0.37 0.00 -2.06 0.00 0.00 37.83 36.49 3kjv s LYS 249 CO 0.08 -0.47 1.34 -0.25 0.10 0.00 0.00 175.35 176.15 3kjv n ASP 250 N -0.28 2.22 -3.85 0.03 9.92 -1.26 -4.88 116.55 118.46 3kjv n ASP 250 Ca -0.16 -1.64 -0.11 0.00 -0.53 0.00 0.00 54.79 52.35 3kjv n ASP 250 Cb 0.64 0.15 -0.09 0.00 -0.64 0.00 0.00 41.12 41.18 3kjv n ASP 250 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3kjv s SER 251 N -2.19 0.03 -0.01 -2.24 0.15 -1.26 -5.12 113.70 103.06 3kjv s SER 251 Ca 0.27 -0.33 0.03 0.00 0.70 0.00 0.00 55.95 56.62 3kjv s SER 251 Cb 0.20 0.28 -0.00 0.00 -1.71 0.00 0.00 66.02 64.78 3kjv s SER 251 CO 0.41 -0.52 -0.09 0.26 1.20 0.00 0.00 173.24 174.49 3kjv s TRP 252 N -2.34 0.88 0.20 3.44 0.52 -1.25 -5.09 118.94 115.30 3kjv s TRP 252 Ca -0.07 -0.18 0.05 0.00 0.02 0.00 0.00 56.10 55.92 3kjv s TRP 252 Cb -0.02 -0.58 -0.03 0.00 -1.15 0.00 0.00 33.47 31.68 3kjv s TRP 252 CO -0.03 -0.04 0.25 0.95 0.02 0.00 0.00 176.95 178.10 3kjv s THR 253 N -0.10 4.89 0.19 2.01 -4.23 -1.26 -0.43 115.64 116.71 3kjv s THR 253 Ca 0.02 -1.04 -0.08 0.00 -1.18 0.00 0.00 61.69 59.41 3kjv s THR 253 Cb -0.05 -3.58 0.28 0.00 1.34 0.00 0.00 72.50 70.48 3kjv s THR 253 CO -0.00 -0.22 1.13 0.52 -0.54 0.00 0.00 174.62 175.51 3kjv n VAL 254 N -0.88 -0.33 -0.03 2.29 0.31 -1.05 -0.18 118.33 118.45 3kjv n VAL 254 Ca -0.08 1.68 -0.11 0.00 -0.01 0.00 0.00 64.34 65.82 3kjv n VAL 254 Cb 0.56 -2.29 -0.05 0.00 -0.91 0.00 0.00 33.84 31.15 3kjv n VAL 254 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 3kjv h ASN 255 N 0.00 0.19 0.04 4.52 -0.73 -1.83 0.75 115.58 118.52 3kjv h ASN 255 Ca 0.31 -0.16 -0.01 0.00 1.87 0.00 0.00 56.30 58.32 3kjv h ASN 255 Cb 0.50 -0.05 -0.00 0.00 0.27 0.00 0.00 38.32 39.04 3kjv h ASN 255 CO -0.74 0.30 -0.03 0.44 -0.37 0.00 0.00 177.43 177.03 3kjv h ASP 256 N 0.07 0.00 0.09 1.15 3.45 -0.98 -0.42 116.42 119.77 3kjv h ASP 256 Ca 0.05 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.33 3kjv h ASP 256 Cb 0.17 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.94 3kjv h ASP 256 CO -0.00 0.03 -0.87 0.40 -1.57 0.00 0.00 179.24 177.22 3kjv h ILE 257 N 0.00 1.37 -0.96 0.35 1.08 0.38 -3.04 117.51 116.70 3kjv h ILE 257 Ca -0.00 -2.42 0.19 0.00 -0.39 0.00 0.00 64.86 62.24 3kjv h ILE 257 Cb 0.06 3.00 -0.08 0.00 -3.07 0.00 0.00 36.82 36.73 3kjv h ILE 257 CO 0.00 0.65 0.61 1.56 -0.69 0.00 0.00 178.15 180.29 3kjv h GLN 258 N -0.54 0.58 0.00 2.37 4.20 0.10 0.60 115.11 122.42 3kjv h GLN 258 Ca -0.18 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.49 3kjv h GLN 258 Cb 1.52 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.16 3kjv h GLN 258 CO 0.06 0.38 0.00 0.87 -0.67 0.00 0.00 178.83 179.47 3kjv h LYS 259 N 0.60 0.00 0.02 1.46 1.57 -1.19 -2.60 116.57 116.43 3kjv h LYS 259 Ca 0.52 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.30 3kjv h LYS 259 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 3kjv h LYS 259 CO -0.27 0.00 -0.01 1.25 -0.57 0.00 0.00 179.45 179.85 3kjv h LEU 260 N 0.00 -0.02 -0.96 2.94 5.85 -0.08 -3.05 115.31 119.98 3kjv h LEU 260 Ca 0.00 -0.58 0.08 0.00 0.84 0.00 0.00 57.88 58.22 3kjv h LEU 260 Cb 0.85 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.82 3kjv h LEU 260 CO 0.00 0.75 0.61 0.58 -0.34 0.00 0.00 178.44 180.04 3kjv h VAL 261 N -0.98 1.03 -0.21 1.05 2.07 -0.07 0.21 116.25 119.35 3kjv h VAL 261 Ca -0.00 -0.37 -0.19 0.00 0.82 0.00 0.00 66.70 66.97 3kjv h VAL 261 Cb 0.60 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3kjv h VAL 261 CO 0.00 0.19 -0.61 1.23 0.02 0.00 0.00 177.57 178.41 3kjv h GLY 262 N 1.07 0.79 0.79 2.17 0.00 -1.60 0.57 103.07 106.85 3kjv h GLY 262 Ca 0.43 -0.98 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 3kjv h GLY 262 CO -0.20 0.88 -0.24 1.70 0.00 0.00 0.00 176.54 178.67 3kjv h LYS 263 N 0.54 -0.66 -0.46 4.80 3.64 -1.32 -2.77 116.57 120.34 3kjv h LYS 263 Ca -0.00 0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 3kjv h LYS 263 Cb 1.20 0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 33.07 3kjv h LYS 263 CO 0.12 -0.36 -0.42 -0.07 -2.27 0.00 0.00 179.45 176.45 3kjv h LEU 264 N -0.90 -1.41 -1.16 5.20 3.38 -0.50 0.14 115.31 120.06 3kjv h LEU 264 Ca -0.07 0.22 0.10 0.00 0.09 0.00 0.00 57.88 58.23 3kjv h LEU 264 Cb 0.60 0.63 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3kjv h LEU 264 CO 0.11 -0.35 0.79 -1.13 0.09 0.00 0.00 178.44 177.95 3kjv h ASN 265 N -0.29 0.00 0.01 -0.43 -1.24 0.25 0.61 115.58 114.50 3kjv h ASN 265 Ca 0.16 0.00 -0.37 0.00 0.71 0.00 0.00 56.30 56.79 3kjv h ASN 265 Cb 0.57 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.57 3kjv h ASN 265 CO -0.61 0.00 -2.07 1.87 -1.29 0.00 0.00 177.43 175.33 3kjv n TRP 266 N -3.04 0.45 -0.34 0.67 -0.00 0.35 -3.80 117.44 111.73 3kjv n TRP 266 Ca 0.07 0.17 0.28 0.00 -0.00 0.00 0.00 57.50 58.02 3kjv n TRP 266 Cb 0.92 -1.05 0.58 0.00 -0.00 0.00 0.00 31.31 31.76 3kjv n TRP 266 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3kjv h ALA 267 N -0.62 2.51 -0.18 5.87 0.00 0.37 -0.86 119.26 126.35 3kjv h ALA 267 Ca -0.55 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.42 3kjv h ALA 267 Cb 1.59 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 3kjv h ALA 267 CO -0.27 -0.93 -0.10 0.43 0.00 0.00 0.00 179.25 178.37 3kjv n SER 268 N -4.53 -0.19 0.03 0.00 7.64 -0.13 0.61 113.62 117.05 3kjv n SER 268 Ca 0.27 0.92 0.01 0.00 1.01 0.00 0.00 58.87 61.08 3kjv n SER 268 Cb 1.04 -0.34 0.06 0.00 -1.01 0.00 0.00 64.21 63.96 3kjv n SER 268 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kjv n GLN 269 N -3.28 0.01 -0.06 1.43 6.02 -0.33 -1.05 117.38 120.14 3kjv n GLN 269 Ca 0.00 0.29 -0.10 0.00 -0.01 0.00 0.00 57.00 57.19 3kjv n GLN 269 Cb 0.05 -1.84 -0.03 0.00 1.02 0.00 0.00 30.24 29.43 3kjv n GLN 269 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3kjv n ILE 270 N -1.38 1.31 -3.52 5.09 5.41 0.20 -4.84 119.36 121.63 3kjv n ILE 270 Ca -0.00 0.09 -0.42 0.00 1.00 0.00 0.00 62.75 63.42 3kjv n ILE 270 Cb 0.30 -2.01 -0.08 0.00 -0.71 0.00 0.00 39.64 37.14 3kjv n ILE 270 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3kjv s TYR 271 N -2.55 3.43 -1.39 1.39 1.51 0.71 -4.83 117.35 115.62 3kjv s TYR 271 Ca -0.22 -1.88 0.13 0.00 -1.01 0.00 0.00 57.07 54.09 3kjv s TYR 271 Cb 0.05 -3.54 0.65 0.00 -0.11 0.00 0.00 41.96 39.00 3kjv s TYR 271 CO 0.31 -0.99 1.34 -0.35 -1.11 0.00 0.00 175.55 174.75 3kjv n PRO 272 N 4.77 0.17 -0.24 -1.71 -0.04 -1.10 -2.10 135.00 134.75 3kjv n PRO 272 Ca -0.06 0.17 -0.04 0.00 -0.04 0.00 0.00 63.50 63.53 3kjv n PRO 272 Cb 0.41 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.41 3kjv n PRO 272 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kjv n GLY 273 N -0.18 2.46 4.01 0.55 0.00 -1.26 -4.89 105.19 105.87 3kjv n GLY 273 Ca 0.06 -0.21 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 3kjv n GLY 273 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kjv s ILE 274 N -0.67 2.63 -0.23 -0.61 1.10 -0.89 -4.91 121.20 117.62 3kjv s ILE 274 Ca 0.11 -1.04 -0.13 0.00 -0.51 0.00 0.00 60.65 59.09 3kjv s ILE 274 Cb 0.09 -2.67 0.07 0.00 0.15 0.00 0.00 42.46 40.10 3kjv s ILE 274 CO 0.02 0.00 0.56 -0.54 -2.11 0.00 0.00 174.94 172.87 3kjv s LYS 275 N -4.45 0.56 0.00 3.50 1.02 -1.26 -5.05 119.74 114.06 3kjv s LYS 275 Ca 0.56 1.04 0.00 0.00 0.02 0.00 0.00 55.97 57.60 3kjv s LYS 275 Cb -0.08 0.10 0.00 0.00 -0.52 0.00 0.00 37.83 37.33 3kjv s LYS 275 CO 0.34 -0.16 0.00 1.55 -0.92 0.00 0.00 175.35 176.17 3kjv n VAL 276 N 4.37 0.00 -0.32 3.17 3.14 -1.26 -4.87 118.33 122.56 3kjv n VAL 276 Ca -0.21 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.16 3kjv n VAL 276 Cb 0.57 0.06 0.12 0.00 -1.06 0.00 0.00 33.84 33.52 3kjv n VAL 276 CO 0.00 0.00 0.00 0.08 -6.46 0.00 0.00 176.83 170.45 3kjv h ARG 277 N 0.00 1.06 0.00 1.45 0.11 -1.96 0.16 114.38 115.20 3kjv h ARG 277 Ca 0.00 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.02 3kjv h ARG 277 Cb 0.08 -0.24 0.00 0.00 1.11 0.00 0.00 29.97 30.92 3kjv h ARG 277 CO 0.00 0.70 0.00 0.94 0.10 0.00 0.00 179.97 181.71 3kjv n GLN 278 N -4.54 0.09 -0.09 0.08 -0.06 -1.26 -2.67 117.38 108.93 3kjv n GLN 278 Ca 0.11 0.14 -0.11 0.00 -2.00 0.00 0.00 57.00 55.14 3kjv n GLN 278 Cb 0.10 -1.50 -0.10 0.00 -4.06 0.00 0.00 30.24 24.68 3kjv n GLN 278 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 3kjv n LEU 279 N -1.43 2.01 0.00 1.69 0.00 -0.28 -4.21 117.00 114.79 3kjv n LEU 279 Ca 0.06 -0.07 0.08 0.00 0.00 0.00 0.00 56.01 56.08 3kjv n LEU 279 Cb 0.21 -0.33 0.46 0.00 0.00 0.00 0.00 43.42 43.76 3kjv n LEU 279 CO 0.17 0.68 0.76 -1.54 0.00 0.00 0.00 177.39 177.46 3kjv n SER 280 N -2.90 0.00 0.10 1.96 3.41 -0.11 -2.22 113.62 113.86 3kjv n SER 280 Ca -0.31 -1.28 -0.02 0.00 -0.26 0.00 0.00 58.87 57.00 3kjv n SER 280 Cb 0.90 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.81 3kjv n SER 280 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3kjv h LYS 281 N 0.00 0.00 -0.08 4.33 1.57 -1.68 -3.31 116.57 117.41 3kjv h LYS 281 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 3kjv h LYS 281 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3kjv h LYS 281 CO 0.00 0.70 -0.35 -0.07 -0.57 0.00 0.00 179.45 179.16 3kjv h LEU 282 N 0.00 0.17 -6.69 2.94 3.38 -1.68 -3.22 115.31 110.20 3kjv h LEU 282 Ca -0.02 -0.06 -0.77 0.00 0.09 0.00 0.00 57.88 57.12 3kjv h LEU 282 Cb 1.57 -0.05 -0.20 0.00 0.09 0.00 0.00 40.66 42.07 3kjv h LEU 282 CO 0.09 0.51 1.56 0.18 0.09 0.00 0.00 178.44 180.87 3kjv n LEU 283 N -4.09 6.48 -0.11 1.67 4.77 -1.24 -4.73 117.00 119.74 3kjv n LEU 283 Ca -0.01 -4.83 -0.25 0.00 -0.03 0.00 0.00 56.01 50.89 3kjv n LEU 283 Cb 0.42 -1.42 -0.11 0.00 -2.33 0.00 0.00 43.42 39.97 3kjv n LEU 283 CO 0.40 1.44 -1.00 -1.14 -1.33 0.00 0.00 177.39 175.77 3kjv n ARG 284 N 3.13 0.60 0.00 3.23 3.00 -1.22 -4.93 116.66 120.47 3kjv n ARG 284 Ca 0.35 0.38 0.00 0.00 -0.00 0.00 0.00 57.85 58.58 3kjv n ARG 284 Cb 0.36 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 31.20 3kjv n ARG 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kjv n GLY 285 N 1.50 0.96 2.34 5.14 0.00 -1.26 -5.00 105.19 108.87 3kjv n GLY 285 Ca -0.42 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.42 3kjv n GLY 285 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kjv n THR 286 N 0.00 -0.36 -2.77 2.61 -1.04 -1.26 -5.13 114.28 106.33 3kjv n THR 286 Ca 0.00 -3.47 -0.41 0.00 -2.04 0.00 0.00 64.05 58.13 3kjv n THR 286 Cb 0.00 -0.52 -0.04 0.00 -1.82 0.00 0.00 70.33 67.95 3kjv n THR 286 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3kjv s LYS 287 N -1.05 4.64 0.27 -2.82 1.02 -1.26 -5.01 119.74 115.53 3kjv s LYS 287 Ca 0.34 1.37 -0.30 0.00 0.02 0.00 0.00 55.97 57.40 3kjv s LYS 287 Cb 0.24 -3.39 -0.12 0.00 -0.52 0.00 0.00 37.83 34.04 3kjv s LYS 287 CO -0.12 0.18 1.50 0.00 -0.92 0.00 0.00 175.35 175.99 3kjv n ALA 288 N 2.98 1.86 -0.28 5.17 0.00 -1.26 -4.79 120.51 124.19 3kjv n ALA 288 Ca 0.02 0.39 0.34 0.00 0.00 0.00 0.00 53.44 54.19 3kjv n ALA 288 Cb 0.50 -2.37 0.70 0.00 0.00 0.00 0.00 19.45 18.28 3kjv n ALA 288 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kjv h LEU 289 N 4.43 0.00 -2.25 0.00 4.07 -1.97 -1.01 115.31 118.58 3kjv h LEU 289 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 3kjv h LEU 289 Cb 1.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.99 3kjv h LEU 289 CO 0.77 0.00 0.00 0.35 -1.08 0.00 0.00 178.44 178.48 3kjv n THR 290 N -3.86 0.43 -3.06 0.22 -2.24 -1.26 -2.75 114.28 101.75 3kjv n THR 290 Ca 0.24 -0.71 -0.36 0.00 -2.27 0.00 0.00 64.05 60.96 3kjv n THR 290 Cb 1.30 1.04 -0.06 0.00 -2.10 0.00 0.00 70.33 70.51 3kjv n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3kjv s GLU 291 N -1.57 4.27 -0.25 -0.78 2.12 -0.38 -4.93 118.70 117.17 3kjv s GLU 291 Ca 0.37 0.91 -0.21 0.00 0.36 0.00 0.00 54.97 56.40 3kjv s GLU 291 Cb 0.22 -2.82 -0.02 0.00 0.26 0.00 0.00 34.13 31.78 3kjv s GLU 291 CO 0.32 0.35 0.68 0.08 -0.54 0.00 0.00 175.26 176.14 3kjv s VAL 292 N -1.58 4.95 -0.16 3.70 1.01 -1.26 -2.54 120.40 124.52 3kjv s VAL 292 Ca 0.45 1.23 -0.13 0.00 0.00 0.00 0.00 61.98 63.53 3kjv s VAL 292 Cb -0.16 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 3kjv s VAL 292 CO 0.21 0.01 0.27 -0.63 0.00 0.00 0.00 175.10 174.95 3kjv s ILE 293 N 2.58 5.32 0.03 2.22 -1.09 0.43 -4.96 121.20 125.72 3kjv s ILE 293 Ca 0.28 0.50 -0.20 0.00 -2.23 0.00 0.00 60.65 59.00 3kjv s ILE 293 Cb -0.15 -3.60 -0.06 0.00 -1.58 0.00 0.00 42.46 37.06 3kjv s ILE 293 CO 0.08 0.42 0.58 -2.84 -1.23 0.00 0.00 174.94 171.95 3kjv s PRO 294 N 0.30 4.26 -0.09 2.79 0.02 -1.26 -3.91 135.00 137.12 3kjv s PRO 294 Ca 0.16 0.73 -0.27 0.00 0.02 0.00 0.00 61.00 61.64 3kjv s PRO 294 Cb -0.13 -3.29 -0.02 0.00 0.02 0.00 0.00 34.50 31.07 3kjv s PRO 294 CO 0.04 0.49 0.88 -0.51 -0.33 0.00 0.00 177.00 177.57 3kjv s LEU 295 N -0.61 4.27 0.74 -5.54 1.43 -1.26 -5.03 118.68 112.68 3kjv s LEU 295 Ca 0.30 1.38 -0.11 0.00 -1.03 0.00 0.00 54.13 54.67 3kjv s LEU 295 Cb -0.19 -3.35 0.03 0.00 0.03 0.00 0.00 46.19 42.71 3kjv s LEU 295 CO 0.18 -0.31 1.08 0.42 0.23 0.00 0.00 176.35 177.95 3kjv s THR 296 N 1.51 3.55 0.10 5.49 -4.23 -1.26 -4.58 115.64 116.21 3kjv s THR 296 Ca 0.44 0.50 -0.08 0.00 -1.18 0.00 0.00 61.69 61.37 3kjv s THR 296 Cb -0.18 -3.30 0.10 0.00 1.34 0.00 0.00 72.50 70.46 3kjv s THR 296 CO 0.19 -0.66 0.66 1.21 -0.54 0.00 0.00 174.62 175.49 3kjv n GLU 297 N -3.23 -0.10 -0.06 3.99 4.07 -1.26 -0.53 120.64 123.51 3kjv n GLU 297 Ca 0.07 0.66 -0.13 0.00 -0.06 0.00 0.00 57.16 57.70 3kjv n GLU 297 Cb 0.55 -0.98 -0.12 0.00 -0.06 0.00 0.00 31.44 30.84 3kjv n GLU 297 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 3kjv h GLU 298 N 0.00 -0.00 -0.73 5.31 9.09 -1.95 -3.34 114.58 122.96 3kjv h GLU 298 Ca 0.15 0.00 0.15 0.00 0.05 0.00 0.00 59.36 59.71 3kjv h GLU 298 Cb 0.25 0.00 -0.14 0.00 -1.65 0.00 0.00 28.75 27.22 3kjv h GLU 298 CO -0.42 0.91 -0.17 0.00 0.05 0.00 0.00 179.01 179.38 3kjv h ALA 299 N -0.04 0.51 0.00 1.06 0.00 -1.05 1.65 119.26 121.39 3kjv h ALA 299 Ca -0.00 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3kjv h ALA 299 Cb 0.91 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3kjv h ALA 299 CO 0.00 -0.41 0.00 0.39 0.00 0.00 0.00 179.25 179.23 3kjv n GLU 300 N -5.47 0.28 -0.05 0.00 1.02 -0.12 -1.92 120.64 114.38 3kjv n GLU 300 Ca 0.10 0.11 -0.07 0.00 -0.02 0.00 0.00 57.16 57.28 3kjv n GLU 300 Cb 0.38 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.24 3kjv n GLU 300 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3kjv n LEU 301 N -1.26 1.57 -0.02 -4.62 -0.00 0.48 -3.86 117.00 109.28 3kjv n LEU 301 Ca 0.09 -0.03 -0.09 0.00 -0.00 0.00 0.00 56.01 55.98 3kjv n LEU 301 Cb 0.14 -0.11 -0.02 0.00 -0.00 0.00 0.00 43.42 43.42 3kjv n LEU 301 CO 0.13 0.48 0.75 -0.08 -0.00 0.00 0.00 177.39 178.68 3kjv h GLU 302 N 0.00 -0.18 -0.13 1.96 4.81 0.12 0.61 114.58 121.78 3kjv h GLU 302 Ca -0.27 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 3kjv h GLU 302 Cb 1.50 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.91 3kjv h GLU 302 CO -0.02 -0.12 -0.00 1.25 -0.73 0.00 0.00 179.01 179.39 3kjv h LEU 303 N -0.18 0.16 -0.22 1.64 7.12 -1.61 0.14 115.31 122.36 3kjv h LEU 303 Ca 0.11 -0.01 -0.22 0.00 0.13 0.00 0.00 57.88 57.89 3kjv h LEU 303 Cb 0.35 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.44 3kjv h LEU 303 CO -0.29 0.20 -0.91 0.00 -0.13 0.00 0.00 178.44 177.31 3kjv h ALA 304 N 1.83 0.42 -0.20 1.25 0.00 -1.38 -2.00 119.26 119.18 3kjv h ALA 304 Ca 0.04 -0.70 -0.14 0.00 0.00 0.00 0.00 54.91 54.11 3kjv h ALA 304 Cb 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kjv h ALA 304 CO 0.00 0.84 -0.45 0.93 0.00 0.00 0.00 179.25 180.57 3kjv h GLU 305 N 0.20 0.50 -0.34 0.00 5.08 0.17 -3.12 114.58 117.08 3kjv h GLU 305 Ca -0.07 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 57.96 3kjv h GLU 305 Cb 1.54 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 3kjv h GLU 305 CO 0.15 0.86 -0.03 -0.91 -1.00 0.00 0.00 179.01 178.08 3kjv h ASN 306 N 0.41 0.61 0.42 1.42 2.35 -0.75 -2.58 115.58 117.46 3kjv h ASN 306 Ca 0.03 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 3kjv h ASN 306 Cb 0.95 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.16 3kjv h ASN 306 CO 0.08 0.80 0.00 -1.14 -1.65 0.00 0.00 177.43 175.52 3kjv n ARG 307 N -4.48 0.03 -0.07 0.81 0.63 -0.76 -1.53 116.66 111.29 3kjv n ARG 307 Ca -0.02 0.34 -0.19 0.00 -0.92 0.00 0.00 57.85 57.05 3kjv n ARG 307 Cb 0.29 -1.57 -0.13 0.00 0.45 0.00 0.00 32.46 31.51 3kjv n ARG 307 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3kjv h GLU 308 N 0.00 0.05 -0.66 -0.14 4.39 -1.46 -3.36 114.58 113.40 3kjv h GLU 308 Ca 0.00 -0.09 0.18 0.00 0.34 0.00 0.00 59.36 59.78 3kjv h GLU 308 Cb 0.21 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 3kjv h GLU 308 CO 0.00 1.04 0.47 0.82 -1.16 0.00 0.00 179.01 180.18 3kjv h ILE 309 N -0.85 0.71 0.00 3.13 1.08 -0.87 0.22 117.51 120.92 3kjv h ILE 309 Ca -0.23 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 3kjv h ILE 309 Cb 1.31 0.60 0.00 0.00 -3.07 0.00 0.00 36.82 35.66 3kjv h ILE 309 CO -0.08 0.02 0.00 -0.07 -0.69 0.00 0.00 178.15 177.33 3kjv h LEU 310 N 0.10 0.00 -0.61 1.44 3.38 -1.64 -2.38 115.31 115.59 3kjv h LEU 310 Ca 0.32 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.17 3kjv h LEU 310 Cb 1.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3kjv h LEU 310 CO -0.03 0.00 -0.24 0.11 0.09 0.00 0.00 178.44 178.36 3kjv h LYS 311 N 0.00 0.83 -7.02 1.13 1.57 -0.71 -3.43 116.57 108.94 3kjv h LYS 311 Ca 0.00 -0.35 -0.56 0.00 -1.87 0.00 0.00 60.65 57.86 3kjv h LYS 311 Cb 0.84 -0.03 0.15 0.00 0.08 0.00 0.00 32.23 33.28 3kjv h LYS 311 CO 0.00 0.99 0.45 0.39 -0.57 0.00 0.00 179.45 180.71 3kjv n GLU 312 N -4.10 1.26 -2.26 3.15 1.02 -0.90 -4.96 120.64 113.86 3kjv n GLU 312 Ca -0.00 0.48 -0.42 0.00 -0.02 0.00 0.00 57.16 57.20 3kjv n GLU 312 Cb 0.45 -2.46 -0.03 0.00 -0.02 0.00 0.00 31.44 29.38 3kjv n GLU 312 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3kjv s PRO 313 N -3.05 4.38 0.02 3.49 0.04 -1.26 -4.94 135.00 133.67 3kjv s PRO 313 Ca 0.77 1.98 -0.33 0.00 0.04 0.00 0.00 61.00 63.46 3kjv s PRO 313 Cb -0.40 -3.26 -0.12 0.00 0.04 0.00 0.00 34.50 30.76 3kjv s PRO 313 CO 0.45 -0.32 1.82 0.28 0.04 0.00 0.00 177.00 179.27 3kjv n VAL 314 N 3.53 0.44 -3.02 -0.36 0.31 -1.26 -4.91 118.33 113.06 3kjv n VAL 314 Ca 0.09 -0.08 -0.40 0.00 -0.01 0.00 0.00 64.34 63.94 3kjv n VAL 314 Cb 0.44 -1.90 -0.05 0.00 -0.91 0.00 0.00 33.84 31.42 3kjv n VAL 314 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 3kjv s HIS 315 N 3.20 3.49 0.00 3.52 2.46 -1.26 -4.28 115.29 122.42 3kjv s HIS 315 Ca 0.87 1.18 0.00 0.00 0.47 0.00 0.00 55.06 57.58 3kjv s HIS 315 Cb -0.62 -2.86 0.00 0.00 -0.13 0.00 0.00 32.58 28.97 3kjv s HIS 315 CO 0.45 -0.06 0.00 0.41 -2.47 0.00 0.00 174.74 173.07 3kjv n GLY 316 N 3.35 1.55 3.63 1.59 0.00 -1.26 -5.09 105.19 108.96 3kjv n GLY 316 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3kjv n GLY 316 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kjv s VAL 317 N -2.00 5.31 -0.20 1.61 0.11 -1.26 -5.05 120.40 118.92 3kjv s VAL 317 Ca 0.00 0.26 -0.05 0.00 -2.93 0.00 0.00 61.98 59.26 3kjv s VAL 317 Cb 0.00 -3.55 0.07 0.00 -1.53 0.00 0.00 36.38 31.37 3kjv s VAL 317 CO 0.00 0.28 0.09 -0.31 -3.33 0.00 0.00 175.10 171.83 3kjv s TYR 318 N 1.48 0.32 -0.15 1.54 2.02 -1.26 -5.09 117.35 116.21 3kjv s TYR 318 Ca 0.09 -0.49 -0.34 0.00 -0.37 0.00 0.00 57.07 55.96 3kjv s TYR 318 Cb -0.15 -0.78 -0.11 0.00 -0.40 0.00 0.00 41.96 40.52 3kjv s TYR 318 CO 0.08 -0.58 1.96 0.98 -1.57 0.00 0.00 175.55 176.41 3kjv n TYR 319 N 5.25 2.19 -3.57 2.71 9.36 -1.26 -4.93 117.16 126.91 3kjv n TYR 319 Ca -0.07 0.03 -0.38 0.00 3.32 0.00 0.00 57.90 60.81 3kjv n TYR 319 Cb 0.47 -2.65 -0.10 0.00 -0.63 0.00 0.00 39.34 36.44 3kjv n TYR 319 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3kjv s ASP 320 N 4.96 6.13 0.49 2.98 -1.08 -1.26 -4.99 116.67 123.90 3kjv s ASP 320 Ca 0.96 0.13 0.32 0.00 -0.52 0.00 0.00 52.55 53.44 3kjv s ASP 320 Cb -0.69 -2.14 1.32 0.00 -1.46 0.00 0.00 42.92 39.95 3kjv s ASP 320 CO 0.50 -0.03 1.94 -0.65 0.52 0.00 0.00 175.17 177.45 3kjv h PRO 321 N 7.91 0.00 -0.02 4.34 0.11 -1.99 -3.17 132.00 139.17 3kjv h PRO 321 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3kjv h PRO 321 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3kjv h PRO 321 CO 0.62 0.00 -0.22 -1.13 -0.21 0.00 0.00 178.00 177.06 3kjv n SER 322 N -2.90 2.51 -4.86 -2.05 3.41 -1.26 -4.92 113.62 103.55 3kjv n SER 322 Ca 0.01 -1.76 -0.35 0.00 -0.26 0.00 0.00 58.87 56.51 3kjv n SER 322 Cb 0.28 0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 64.39 3kjv n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3kjv s LYS 323 N -2.22 3.34 0.29 4.33 1.02 -1.20 -5.07 119.74 120.23 3kjv s LYS 323 Ca 0.24 -0.29 -0.28 0.00 0.02 0.00 0.00 55.97 55.65 3kjv s LYS 323 Cb 0.19 -3.07 -0.14 0.00 -0.52 0.00 0.00 37.83 34.29 3kjv s LYS 323 CO 0.43 0.71 1.04 -0.25 -0.92 0.00 0.00 175.35 176.36 3kjv n ASP 324 N 1.41 1.44 -4.58 2.83 9.92 -1.26 -4.96 116.55 121.34 3kjv n ASP 324 Ca -0.15 1.18 -0.40 0.00 -0.53 0.00 0.00 54.79 54.89 3kjv n ASP 324 Cb 0.53 -1.30 -0.08 0.00 -0.64 0.00 0.00 41.12 39.63 3kjv n ASP 324 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3kjv s LEU 325 N 0.34 4.20 -0.38 0.64 2.96 -1.26 -4.59 118.68 120.59 3kjv s LEU 325 Ca 0.59 0.14 -0.11 0.00 -0.22 0.00 0.00 54.13 54.53 3kjv s LEU 325 Cb -0.70 -2.50 0.03 0.00 0.50 0.00 0.00 46.19 43.52 3kjv s LEU 325 CO 0.60 -0.32 0.23 -0.63 -1.32 0.00 0.00 176.35 174.90 3kjv s ILE 326 N 2.21 4.64 -0.17 6.68 1.01 0.24 0.20 121.20 136.01 3kjv s ILE 326 Ca 0.17 -0.89 -0.06 0.00 0.00 0.00 0.00 60.65 59.87 3kjv s ILE 326 Cb -0.16 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 3kjv s ILE 326 CO 0.11 -0.28 0.03 0.00 0.00 0.00 0.00 174.94 174.81 3kjv s ALA 327 N 1.56 3.31 0.30 9.38 0.00 -0.09 -0.65 121.76 135.56 3kjv s ALA 327 Ca 0.02 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.27 3kjv s ALA 327 Cb -0.20 -1.79 -0.06 0.00 0.00 0.00 0.00 23.12 21.07 3kjv s ALA 327 CO 0.07 0.23 -0.01 -1.83 0.00 0.00 0.00 175.76 174.22 3kjv s GLU 328 N 0.23 1.59 -0.06 0.00 -1.05 -0.94 -0.89 118.70 117.58 3kjv s GLU 328 Ca 0.02 -1.84 -0.03 0.00 -0.15 0.00 0.00 54.97 52.97 3kjv s GLU 328 Cb -0.13 -1.04 0.03 0.00 -0.44 0.00 0.00 34.13 32.55 3kjv s GLU 328 CO 0.01 -0.06 0.14 0.42 0.95 0.00 0.00 175.26 176.72 3kjv s ILE 329 N -3.12 -0.03 0.04 1.83 1.01 -1.26 -1.75 121.20 117.91 3kjv s ILE 329 Ca 0.32 0.12 0.09 0.00 0.00 0.00 0.00 60.65 61.18 3kjv s ILE 329 Cb 0.06 -0.22 -0.03 0.00 0.01 0.00 0.00 42.46 42.28 3kjv s ILE 329 CO 0.13 0.05 -0.25 -1.10 0.00 0.00 0.00 174.94 173.77 3kjv s GLN 330 N 0.82 1.75 -0.57 2.79 1.11 0.01 -4.42 119.66 121.16 3kjv s GLN 330 Ca -0.06 -1.07 -0.19 0.00 0.01 0.00 0.00 55.36 54.05 3kjv s GLN 330 Cb -0.08 -1.90 0.09 0.00 -1.01 0.00 0.00 33.01 30.11 3kjv s GLN 330 CO -0.04 0.49 0.69 0.21 0.01 0.00 0.00 175.29 176.65 3kjv s LYS 331 N -1.18 3.07 0.01 2.91 2.20 -1.26 -2.12 119.74 123.36 3kjv s LYS 331 Ca 0.11 -1.19 -0.13 0.00 -0.36 0.00 0.00 55.97 54.40 3kjv s LYS 331 Cb -0.10 -4.22 -0.07 0.00 -1.51 0.00 0.00 37.83 31.93 3kjv s LYS 331 CO 0.02 -1.46 0.89 1.96 -0.36 0.00 0.00 175.35 176.40 3kjv h GLN 332 N 9.15 -0.46 0.00 4.03 1.08 -1.63 -3.50 115.11 123.77 3kjv h GLN 332 Ca -0.29 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 3kjv h GLN 332 Cb 1.09 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 3kjv h GLN 332 CO 1.07 -0.31 0.00 0.41 -0.95 0.00 0.00 178.83 179.05 3kjv n GLY 333 N -0.34 4.24 2.90 3.46 0.00 -1.23 -4.99 105.19 109.23 3kjv n GLY 333 Ca -0.06 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 3kjv n GLY 333 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kjv n GLN 334 N -1.55 -2.93 -4.02 1.61 3.00 -1.26 -3.09 117.38 109.14 3kjv n GLN 334 Ca 0.00 0.68 -0.45 0.00 -0.01 0.00 0.00 57.00 57.22 3kjv n GLN 334 Cb 0.00 -5.01 0.02 0.00 0.00 0.00 0.00 30.24 25.25 3kjv n GLN 334 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kjv n GLY 335 N -1.23 -0.86 2.75 1.08 0.00 -1.19 -4.48 105.19 101.27 3kjv n GLY 335 Ca -0.11 0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 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 -7.23 0.87 -0.12 1.61 -1.52 -1.18 -1.08 119.66 111.02 3kjv s GLN 336 Ca 0.50 -1.31 -0.02 0.00 -1.95 0.00 0.00 55.36 52.58 3kjv s GLN 336 Cb -0.26 -2.15 -0.03 0.00 -0.22 0.00 0.00 33.01 30.36 3kjv s GLN 336 CO 0.96 -1.02 -0.04 -1.58 -0.25 0.00 0.00 175.29 173.36 3kjv s TRP 337 N 1.33 3.03 -0.10 0.91 0.52 0.15 -1.44 118.94 123.34 3kjv s TRP 337 Ca 0.11 -0.11 0.01 0.00 0.02 0.00 0.00 56.10 56.14 3kjv s TRP 337 Cb -0.19 -1.86 -0.02 0.00 -1.15 0.00 0.00 33.47 30.26 3kjv s TRP 337 CO -0.19 0.17 -0.13 0.95 0.02 0.00 0.00 176.95 177.77 3kjv s THR 338 N -0.22 3.08 0.38 2.01 -4.23 -0.90 0.11 115.64 115.87 3kjv s THR 338 Ca 0.04 -0.68 0.08 0.00 -1.18 0.00 0.00 61.69 59.95 3kjv s THR 338 Cb -0.13 -2.26 -0.07 0.00 1.34 0.00 0.00 72.50 71.38 3kjv s THR 338 CO 0.02 0.55 -0.03 -0.72 -0.54 0.00 0.00 174.62 173.90 3kjv s TYR 339 N -0.08 2.47 0.09 3.99 1.13 -0.44 -0.81 117.35 123.71 3kjv s TYR 339 Ca -0.02 -0.59 0.01 0.00 -1.41 0.00 0.00 57.07 55.06 3kjv s TYR 339 Cb -0.14 -1.61 -0.04 0.00 -1.10 0.00 0.00 41.96 39.07 3kjv s TYR 339 CO 0.04 0.50 -0.06 -0.65 -2.51 0.00 0.00 175.55 172.87 3kjv s GLN 340 N -3.67 0.78 -0.04 -3.49 1.11 -0.72 -0.15 119.66 113.48 3kjv s GLN 340 Ca 0.34 -1.30 -0.01 0.00 0.01 0.00 0.00 55.36 54.40 3kjv s GLN 340 Cb 0.06 -0.12 0.03 0.00 -1.01 0.00 0.00 33.01 31.97 3kjv s GLN 340 CO 0.17 -0.04 0.04 0.42 0.01 0.00 0.00 175.29 175.89 3kjv s ILE 341 N -3.65 0.05 0.06 1.08 1.01 -0.08 -2.22 121.20 117.45 3kjv s ILE 341 Ca 0.10 0.29 -0.13 0.00 0.00 0.00 0.00 60.65 60.91 3kjv s ILE 341 Cb 0.06 -0.25 0.02 0.00 0.01 0.00 0.00 42.46 42.30 3kjv s ILE 341 CO -0.06 0.18 0.30 -0.72 0.00 0.00 0.00 174.94 174.65 3kjv s TYR 342 N 1.85 -0.08 -0.17 3.97 -0.85 0.18 0.96 117.35 123.21 3kjv s TYR 342 Ca 0.02 -0.13 0.09 0.00 -0.52 0.00 0.00 57.07 56.53 3kjv s TYR 342 Cb -0.12 0.10 -0.17 0.00 0.38 0.00 0.00 41.96 42.15 3kjv s TYR 342 CO -0.03 -0.55 -0.03 1.04 -1.52 0.00 0.00 175.55 174.46 3kjv n GLN 343 N 0.33 1.09 -4.92 -3.49 6.02 -1.26 -0.59 117.38 114.57 3kjv n GLN 343 Ca -0.18 0.04 -0.33 0.00 -0.01 0.00 0.00 57.00 56.53 3kjv n GLN 343 Cb 0.61 -1.40 -0.13 0.00 1.02 0.00 0.00 30.24 30.33 3kjv n GLN 343 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3kjv s GLU 344 N -2.39 2.53 0.25 -1.09 2.56 -1.26 -4.91 118.70 114.39 3kjv s GLU 344 Ca -0.15 -0.72 -0.30 0.00 0.00 0.00 0.00 54.97 53.80 3kjv s GLU 344 Cb 0.05 -2.37 -0.11 0.00 2.00 0.00 0.00 34.13 33.71 3kjv s GLU 344 CO 0.58 0.59 1.55 -1.25 -0.56 0.00 0.00 175.26 176.17 3kjv s PRO 345 N -0.64 4.18 0.00 4.30 0.04 -1.26 -1.65 135.00 139.97 3kjv s PRO 345 Ca 0.10 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.60 3kjv s PRO 345 Cb -0.11 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.36 3kjv s PRO 345 CO 0.01 -0.57 0.00 1.19 0.04 0.00 0.00 177.00 177.67 3kjv n PHE 346 N 2.66 0.00 -3.29 0.56 3.72 -1.26 -4.93 117.46 114.93 3kjv n PHE 346 Ca 0.09 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.08 3kjv n PHE 346 Cb 0.38 -0.14 -0.02 0.00 -0.94 0.00 0.00 39.48 38.76 3kjv n PHE 346 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3kjv n LYS 347 N -2.00 3.62 -2.63 -1.08 4.76 -0.66 -4.74 118.16 115.43 3kjv n LYS 347 Ca 0.00 -4.52 -0.42 0.00 -2.87 0.00 0.00 58.31 50.51 3kjv n LYS 347 Cb 0.00 -2.49 -0.03 0.00 -1.84 0.00 0.00 35.03 30.67 3kjv n LYS 347 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3kjv s ASN 348 N -0.37 7.31 0.34 4.39 0.01 -1.26 -4.29 114.94 121.07 3kjv s ASN 348 Ca 0.31 1.79 0.24 0.00 -0.71 0.00 0.00 52.86 54.49 3kjv s ASN 348 Cb -0.02 -2.58 0.51 0.00 0.41 0.00 0.00 41.25 39.57 3kjv s ASN 348 CO -0.02 -0.29 1.65 -0.07 -1.51 0.00 0.00 177.10 176.87 3kjv h LEU 349 N 6.56 0.00 -6.73 0.60 3.38 0.21 -3.46 115.31 115.87 3kjv h LEU 349 Ca -0.42 -0.01 0.17 0.00 0.09 0.00 0.00 57.88 57.72 3kjv h LEU 349 Cb 1.22 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.70 3kjv h LEU 349 CO 0.76 0.00 0.41 -0.75 0.09 0.00 0.00 178.44 178.95 3kjv s LYS 350 N -3.17 0.25 -0.12 1.13 2.20 -1.18 -4.97 119.74 113.88 3kjv s LYS 350 Ca 0.08 0.52 -0.04 0.00 -0.36 0.00 0.00 55.97 56.17 3kjv s LYS 350 Cb 0.08 0.18 -0.04 0.00 -1.51 0.00 0.00 37.83 36.55 3kjv s LYS 350 CO 0.65 -0.07 0.04 0.95 -0.36 0.00 0.00 175.35 176.56 3kjv s THR 351 N 1.74 4.63 0.21 3.43 -4.23 -1.26 -0.91 115.64 119.25 3kjv s THR 351 Ca -0.06 -0.11 0.05 0.00 -1.18 0.00 0.00 61.69 60.39 3kjv s THR 351 Cb -0.04 -3.00 -0.05 0.00 1.34 0.00 0.00 72.50 70.75 3kjv s THR 351 CO -0.15 0.56 -0.07 -0.83 -0.54 0.00 0.00 174.62 173.60 3kjv s GLY 352 N -0.51 1.41 -0.06 3.99 0.00 0.79 -2.55 107.32 110.40 3kjv s GLY 352 Ca 0.10 -1.68 -0.01 0.00 0.00 0.00 0.00 44.72 43.13 3kjv s GLY 352 CO 0.02 -1.68 0.01 1.25 0.00 0.00 0.00 173.10 172.70 3kjv s LYS 353 N -3.77 0.50 -0.16 2.90 2.20 -1.26 -1.32 119.74 118.83 3kjv s LYS 353 Ca 0.24 0.12 -0.01 0.00 -0.36 0.00 0.00 55.97 55.96 3kjv s LYS 353 Cb 0.03 -0.84 -0.01 0.00 -1.51 0.00 0.00 37.83 35.51 3kjv s LYS 353 CO 0.06 -0.27 -0.13 -0.47 -0.36 0.00 0.00 175.35 174.19 3kjv s TYR 354 N 1.80 2.83 -0.22 4.03 5.04 0.30 -4.97 117.35 126.15 3kjv s TYR 354 Ca 0.02 -0.90 -0.03 0.00 -2.44 0.00 0.00 57.07 53.72 3kjv s TYR 354 Cb -0.13 -1.91 0.00 0.00 0.35 0.00 0.00 41.96 40.27 3kjv s TYR 354 CO -0.04 -0.40 -0.06 0.00 -1.34 0.00 0.00 175.55 173.70 3kjv s ALA 355 N 0.78 2.73 0.00 3.97 0.00 -1.26 0.30 121.76 128.29 3kjv s ALA 355 Ca -0.05 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.67 3kjv s ALA 355 Cb -0.15 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.33 3kjv s ALA 355 CO 0.01 -0.51 0.00 -2.13 0.00 0.00 0.00 175.76 173.13 3kjv n ARG 356 N 4.75 3.23 -3.59 0.00 3.00 -0.24 -5.00 116.66 118.80 3kjv n ARG 356 Ca -0.18 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.32 3kjv n ARG 356 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.90 3kjv n ARG 356 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 3kjv s MET 357 N 4.66 3.75 -0.57 -0.14 0.00 -1.26 -4.76 119.30 120.98 3kjv s MET 357 Ca 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 55.69 55.76 3kjv s MET 357 Cb 0.00 -3.04 0.14 0.00 0.00 0.00 0.00 34.83 31.93 3kjv s MET 357 CO 0.00 0.59 0.46 0.50 0.00 0.00 0.00 175.02 176.58 3kjv s ARG 358 N -1.76 2.79 0.23 4.11 3.52 -1.26 -3.14 118.95 123.44 3kjv s ARG 358 Ca 0.31 -1.98 0.05 0.00 -0.13 0.00 0.00 55.73 53.97 3kjv s ARG 358 Cb -0.14 -4.06 -0.05 0.00 -1.56 0.00 0.00 34.95 29.13 3kjv s ARG 358 CO 0.17 -1.24 -0.05 0.20 -0.81 0.00 0.00 175.30 173.58 3kjv s GLY 359 N 2.50 1.54 -0.28 8.12 0.00 -1.26 -4.99 107.32 112.95 3kjv s GLY 359 Ca 0.09 -1.75 0.09 0.00 0.00 0.00 0.00 44.72 43.14 3kjv s GLY 359 CO -0.02 -1.71 1.66 0.00 0.00 0.00 0.00 173.10 173.04 3kjv n ALA 360 N -0.43 4.27 -2.74 3.20 0.00 -1.26 -4.21 120.51 119.35 3kjv n ALA 360 Ca -0.06 -1.98 -0.08 0.00 0.00 0.00 0.00 53.44 51.32 3kjv n ALA 360 Cb 0.63 -1.22 0.06 0.00 0.00 0.00 0.00 19.45 18.93 3kjv n ALA 360 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3kjv n HIS 361 N -0.02 -2.97 -4.37 0.00 -0.00 -1.26 -5.16 115.22 101.44 3kjv n HIS 361 Ca 0.35 -1.75 -0.32 0.00 0.46 0.00 0.00 57.72 56.46 3kjv n HIS 361 Cb 1.24 1.54 -0.10 0.00 -0.12 0.00 0.00 29.99 32.56 3kjv n HIS 361 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 3kjv s THR 362 N 0.53 3.69 -0.30 3.57 2.01 -1.26 -5.10 115.64 118.79 3kjv s THR 362 Ca 0.29 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.45 3kjv s THR 362 Cb 0.25 -2.65 0.08 0.00 0.01 0.00 0.00 72.50 70.19 3kjv s THR 362 CO -0.19 0.32 0.01 0.21 -0.69 0.00 0.00 174.62 174.28 3kjv s ASN 363 N -1.66 4.39 0.14 3.53 2.47 -1.26 -5.01 114.94 117.55 3kjv s ASN 363 Ca 0.19 -1.73 -0.25 0.00 0.42 0.00 0.00 52.86 51.49 3kjv s ASN 363 Cb -0.11 -1.39 0.00 0.00 -1.45 0.00 0.00 41.25 38.29 3kjv s ASN 363 CO 0.10 -0.32 1.61 0.44 -3.72 0.00 0.00 177.10 175.21 3kjv h ASP 364 N 7.79 -1.03 -0.89 -4.21 3.45 -1.99 0.08 116.42 119.62 3kjv h ASP 364 Ca -0.11 0.16 -0.01 0.00 0.43 0.00 0.00 57.03 57.50 3kjv h ASP 364 Cb 1.03 0.45 -0.04 0.00 -0.56 0.00 0.00 39.33 40.21 3kjv h ASP 364 CO 0.48 -0.35 0.53 0.58 -1.57 0.00 0.00 179.24 178.91 3kjv h VAL 365 N -0.35 1.25 0.68 -1.35 2.07 -1.98 0.48 116.25 117.05 3kjv h VAL 365 Ca 0.12 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 3kjv h VAL 365 Cb 0.54 -0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3kjv h VAL 365 CO -0.41 0.26 -0.33 0.50 0.02 0.00 0.00 177.57 177.61 3kjv h LYS 366 N 1.23 -0.89 -0.25 1.57 3.64 -1.78 0.42 116.57 120.52 3kjv h LYS 366 Ca 0.32 0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.79 3kjv h LYS 366 Cb -0.05 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 3kjv h LYS 366 CO -0.06 -0.58 -0.28 1.96 -2.27 0.00 0.00 179.45 178.22 3kjv h GLN 367 N -0.97 -0.16 -0.96 1.90 4.20 -0.63 0.17 115.11 118.66 3kjv h GLN 367 Ca -0.09 0.01 0.27 0.00 0.06 0.00 0.00 58.65 58.89 3kjv h GLN 367 Cb 0.72 0.04 -0.14 0.00 0.30 0.00 0.00 27.48 28.40 3kjv h GLN 367 CO 0.15 -0.11 0.49 1.25 -0.67 0.00 0.00 178.83 179.94 3kjv h LEU 368 N -0.17 0.44 -0.79 1.46 6.46 0.28 1.67 115.31 124.66 3kjv h LEU 368 Ca 0.04 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 3kjv h LEU 368 Cb 0.28 0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.31 3kjv h LEU 368 CO -0.33 -0.05 0.50 0.74 -0.62 0.00 0.00 178.44 178.69 3kjv h THR 369 N 0.39 1.21 -0.14 1.05 2.02 0.12 -0.33 112.91 117.22 3kjv h THR 369 Ca 0.65 -0.41 -0.06 0.00 0.77 0.00 0.00 66.41 67.35 3kjv h THR 369 Cb 1.34 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3kjv h THR 369 CO -0.56 0.21 -0.15 -0.33 0.37 0.00 0.00 175.52 175.05 3kjv h GLU 370 N 1.07 0.36 -0.21 6.66 5.08 0.50 -2.80 114.58 125.24 3kjv h GLU 370 Ca 0.29 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 3kjv h GLU 370 Cb -0.09 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 3kjv h GLU 370 CO -0.06 0.75 -0.30 0.00 -1.00 0.00 0.00 179.01 178.40 3kjv h ALA 371 N 0.60 -0.56 -0.98 3.43 0.00 0.29 -1.21 119.26 120.84 3kjv h ALA 371 Ca 0.02 -0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.15 3kjv h ALA 371 Cb 0.69 0.93 -0.08 0.00 0.00 0.00 0.00 17.79 19.32 3kjv h ALA 371 CO 0.04 -0.70 0.63 -0.39 0.00 0.00 0.00 179.25 178.83 3kjv h VAL 372 N -0.21 0.63 -0.07 0.00 -1.51 -1.05 -0.15 116.25 113.89 3kjv h VAL 372 Ca 0.04 -0.16 -0.04 0.00 -1.23 0.00 0.00 66.70 65.31 3kjv h VAL 372 Cb 0.32 0.12 -0.00 0.00 -2.13 0.00 0.00 31.29 29.59 3kjv h VAL 372 CO -0.31 0.09 -0.11 1.56 -1.23 0.00 0.00 177.57 177.57 3kjv h GLN 373 N 0.47 0.20 0.14 5.19 4.20 -1.11 -1.47 115.11 122.73 3kjv h GLN 373 Ca 0.54 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 59.13 3kjv h GLN 373 Cb 1.25 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.02 3kjv h GLN 373 CO -0.26 0.68 -0.14 -0.22 -0.67 0.00 0.00 178.83 178.23 3kjv h LYS 374 N -0.27 -0.29 -0.51 1.46 3.11 -0.01 -2.46 116.57 117.59 3kjv h LYS 374 Ca 0.01 0.02 0.09 0.00 -2.81 0.00 0.00 60.65 57.95 3kjv h LYS 374 Cb 0.67 0.07 -0.07 0.00 -1.00 0.00 0.00 32.23 31.89 3kjv h LYS 374 CO 0.02 -0.20 0.11 0.82 -2.81 0.00 0.00 179.45 177.40 3kjv h ILE 375 N -0.30 0.72 0.00 2.00 2.04 -1.11 -0.44 117.51 120.42 3kjv h ILE 375 Ca 0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3kjv h ILE 375 Cb 0.29 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3kjv h ILE 375 CO -0.04 0.05 0.00 0.74 0.00 0.00 0.00 178.15 178.90 3kjv h THR 376 N 0.25 0.00 0.10 -0.27 2.02 -0.98 0.11 112.91 114.14 3kjv h THR 376 Ca 0.26 -0.10 -0.33 0.00 0.77 0.00 0.00 66.41 67.01 3kjv h THR 376 Cb 0.35 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 3kjv h THR 376 CO -0.33 0.00 -1.77 0.74 0.37 0.00 0.00 175.52 174.53 3kjv h THR 377 N 0.00 0.73 -0.11 3.16 2.02 -0.63 -1.70 112.91 116.38 3kjv h THR 377 Ca 0.00 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.87 3kjv h THR 377 Cb 0.12 2.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 3kjv h THR 377 CO 0.00 0.74 0.07 -0.33 0.37 0.00 0.00 175.52 176.37 3kjv h GLU 378 N -0.22 0.15 -0.82 6.66 5.08 -1.16 -0.29 114.58 123.98 3kjv h GLU 378 Ca -0.40 -0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.15 3kjv h GLU 378 Cb 1.84 -0.03 -0.13 0.00 0.50 0.00 0.00 28.75 30.92 3kjv h GLU 378 CO 0.01 0.12 0.14 0.77 -1.00 0.00 0.00 179.01 179.05 3kjv h SER 379 N 0.14 -0.13 -0.01 1.42 0.02 -0.83 0.89 113.55 115.05 3kjv h SER 379 Ca 0.04 0.19 -0.23 0.00 -0.84 0.00 0.00 61.79 60.95 3kjv h SER 379 Cb 0.00 0.29 0.02 0.00 0.14 0.00 0.00 62.40 62.85 3kjv h SER 379 CO -0.01 -0.15 -0.90 0.40 -1.14 0.00 0.00 176.83 175.04 3kjv h ILE 380 N 0.18 1.32 -0.37 3.27 2.04 -1.02 -2.29 117.51 120.64 3kjv h ILE 380 Ca 0.48 -2.17 -0.02 0.00 1.00 0.00 0.00 64.86 64.15 3kjv h ILE 380 Cb 0.91 2.41 -0.02 0.00 -0.74 0.00 0.00 36.82 39.38 3kjv h ILE 380 CO -0.64 0.66 0.13 0.58 0.00 0.00 0.00 178.15 178.89 3kjv h VAL 381 N 0.27 1.20 0.35 1.67 2.07 0.20 0.14 116.25 122.13 3kjv h VAL 381 Ca -0.11 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 3kjv h VAL 381 Cb 1.56 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 3kjv h VAL 381 CO 0.18 0.22 -0.17 0.40 0.02 0.00 0.00 177.57 178.22 3kjv h ILE 382 N 0.44 0.00 0.00 4.57 2.04 -0.98 -3.40 117.51 120.18 3kjv h ILE 382 Ca 0.12 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3kjv h ILE 382 Cb 0.21 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 3kjv h ILE 382 CO -0.01 0.00 -1.16 0.79 0.00 0.00 0.00 178.15 177.78 3kjv n TRP 383 N -4.14 0.00 0.00 1.37 8.01 -0.87 -4.93 117.44 116.88 3kjv n TRP 383 Ca -0.06 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.13 3kjv n TRP 383 Cb 0.18 -0.10 0.00 0.00 -2.01 0.00 0.00 31.31 29.38 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 1.44 2.59 3.62 6.99 0.00 0.47 -5.01 105.19 115.29 3kjv n GLY 384 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3kjv n GLY 384 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kjv n LYS 385 N -2.00 0.76 -4.70 1.61 2.85 -1.26 -4.89 118.16 110.53 3kjv n LYS 385 Ca 0.00 -3.54 -0.31 0.00 -1.05 0.00 0.00 58.31 53.41 3kjv n LYS 385 Cb 0.00 0.77 -0.13 0.00 -0.65 0.00 0.00 35.03 35.02 3kjv n LYS 385 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 3kjv s THR 386 N -2.75 2.82 0.72 0.58 -1.32 -1.26 -3.14 115.64 111.28 3kjv s THR 386 Ca 0.10 -1.12 -0.09 0.00 -1.21 0.00 0.00 61.69 59.37 3kjv s THR 386 Cb -0.01 -2.18 0.05 0.00 -1.51 0.00 0.00 72.50 68.85 3kjv s THR 386 CO 0.06 0.37 1.06 -2.16 -2.21 0.00 0.00 174.62 171.75 3kjv s PRO 387 N -1.34 2.41 -0.19 7.08 0.04 -1.26 -4.62 135.00 137.12 3kjv s PRO 387 Ca 0.14 0.07 -0.06 0.00 0.04 0.00 0.00 61.00 61.19 3kjv s PRO 387 Cb -0.11 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 3kjv s PRO 387 CO 0.05 -1.21 0.03 0.21 0.04 0.00 0.00 177.00 176.12 3kjv s LYS 388 N -5.33 3.79 0.03 4.56 2.20 0.54 -3.95 119.74 121.58 3kjv s LYS 388 Ca 0.59 -0.44 -0.12 0.00 -0.36 0.00 0.00 55.97 55.65 3kjv s LYS 388 Cb -0.11 -3.13 -0.06 0.00 -1.51 0.00 0.00 37.83 33.03 3kjv s LYS 388 CO 0.48 0.16 0.39 -0.06 -0.36 0.00 0.00 175.35 175.96 3kjv s PHE 389 N 0.64 3.65 -0.70 4.03 0.40 0.26 -0.91 117.98 125.34 3kjv s PHE 389 Ca 0.01 0.86 -0.07 0.00 -0.60 0.00 0.00 56.93 57.13 3kjv s PHE 389 Cb -0.14 -2.20 0.18 0.00 0.51 0.00 0.00 43.02 41.38 3kjv s PHE 389 CO 0.02 0.58 0.57 0.21 0.70 0.00 0.00 175.22 177.30 3kjv s LYS 390 N -1.51 2.96 -0.06 0.44 2.20 -0.07 0.03 119.74 123.73 3kjv s LYS 390 Ca 0.28 -2.52 -0.26 0.00 -0.36 0.00 0.00 55.97 53.10 3kjv s LYS 390 Cb -0.15 -3.99 -0.03 0.00 -1.51 0.00 0.00 37.83 32.15 3kjv s LYS 390 CO 0.15 -1.22 0.83 -0.51 -0.36 0.00 0.00 175.35 174.24 3kjv s LEU 391 N -0.01 4.31 -1.48 5.43 1.43 0.26 -4.04 118.68 124.58 3kjv s LEU 391 Ca 0.17 1.37 -0.13 0.00 -1.03 0.00 0.00 54.13 54.51 3kjv s LEU 391 Cb -0.16 -3.30 0.03 0.00 0.03 0.00 0.00 46.19 42.79 3kjv s LEU 391 CO -0.05 -0.22 2.33 -0.81 0.23 0.00 0.00 176.35 177.82 3kjv n PRO 392 N 4.08 3.00 -3.55 1.29 -0.04 -1.26 -0.30 135.00 138.23 3kjv n PRO 392 Ca 0.03 -2.58 -0.10 0.00 -0.04 0.00 0.00 63.50 60.81 3kjv n PRO 392 Cb 0.51 -3.21 -0.04 0.00 -0.04 0.00 0.00 33.50 30.72 3kjv n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3kjv s ILE 393 N 2.95 0.00 0.18 0.52 2.07 -1.25 -4.99 121.20 120.67 3kjv s ILE 393 Ca 0.50 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.44 3kjv s ILE 393 Cb 0.14 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.66 3kjv s ILE 393 CO -0.08 0.00 1.11 -1.58 -1.91 0.00 0.00 174.94 172.48 3kjv s GLN 394 N -1.76 4.58 0.18 3.50 0.74 -1.26 -4.54 119.66 121.10 3kjv s GLN 394 Ca -0.00 1.74 -0.13 0.00 0.05 0.00 0.00 55.36 57.02 3kjv s GLN 394 Cb -0.01 -3.27 0.16 0.00 1.10 0.00 0.00 33.01 30.99 3kjv s GLN 394 CO -0.01 0.06 1.76 -0.22 -0.55 0.00 0.00 175.29 176.33 3kjv h LYS 395 N 5.09 0.40 0.15 1.67 3.64 -1.95 -0.19 116.57 125.39 3kjv h LYS 395 Ca -0.44 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3kjv h LYS 395 Cb 1.21 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 3kjv h LYS 395 CO 0.72 0.27 -0.13 0.93 -2.27 0.00 0.00 179.45 178.97 3kjv h GLU 396 N 0.42 -0.29 -0.20 1.90 4.39 -1.98 0.14 114.58 118.97 3kjv h GLU 396 Ca 0.23 0.02 0.06 0.00 0.34 0.00 0.00 59.36 60.01 3kjv h GLU 396 Cb 0.21 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.86 3kjv h GLU 396 CO -0.21 -0.19 -0.25 1.15 -1.16 0.00 0.00 179.01 178.36 3kjv h THR 397 N -0.30 0.39 -0.72 1.13 2.02 -1.86 -0.83 112.91 112.75 3kjv h THR 397 Ca -0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3kjv h THR 397 Cb 0.27 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 3kjv h THR 397 CO -0.02 0.00 0.33 -0.25 0.37 0.00 0.00 175.52 175.95 3kjv h TRP 398 N -0.28 1.03 0.00 3.16 2.91 -0.85 -2.67 115.95 119.25 3kjv h TRP 398 Ca 0.12 -0.05 -0.02 0.00 1.13 0.00 0.00 58.89 60.07 3kjv h TRP 398 Cb 0.46 -0.32 -0.00 0.00 -0.51 0.00 0.00 29.16 28.79 3kjv h TRP 398 CO -0.38 0.76 -0.12 0.93 -1.03 0.00 0.00 178.44 178.60 3kjv h GLU 399 N 1.02 0.00 0.00 2.65 5.08 -0.34 -1.91 114.58 121.08 3kjv h GLU 399 Ca 0.25 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.51 3kjv h GLU 399 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3kjv h GLU 399 CO -0.03 0.12 -0.48 1.15 -1.00 0.00 0.00 179.01 178.77 3kjv h THR 400 N 0.00 1.18 0.00 1.13 2.02 -0.79 -3.41 112.91 113.03 3kjv h THR 400 Ca -0.00 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.45 3kjv h THR 400 Cb 0.90 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 3kjv h THR 400 CO 0.02 0.47 -0.64 0.79 0.37 0.00 0.00 175.52 176.52 3kjv n TRP 401 N -3.73 0.00 -0.25 3.16 8.01 -1.14 -4.82 117.44 118.67 3kjv n TRP 401 Ca -0.01 0.00 0.33 0.00 -1.31 0.00 0.00 57.50 56.51 3kjv n TRP 401 Cb 0.54 0.00 0.72 0.00 -2.01 0.00 0.00 31.31 30.56 3kjv n TRP 401 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.69 176.79 3kjv h TRP 402 N 0.00 0.00 0.00 -5.99 5.08 -1.59 0.61 115.95 114.06 3kjv h TRP 402 Ca 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.93 3kjv h TRP 402 Cb 0.64 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.80 3kjv h TRP 402 CO 0.00 0.00 -0.21 1.79 -1.28 0.00 0.00 178.44 178.74 3kjv h THR 403 N 0.00 0.67 0.06 0.12 1.35 -1.87 -2.89 112.91 110.36 3kjv h THR 403 Ca 0.51 -0.93 -0.00 0.00 -0.55 0.00 0.00 66.41 65.43 3kjv h THR 403 Cb 2.17 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 70.18 3kjv h THR 403 CO -0.01 0.21 -0.03 -0.33 -0.25 0.00 0.00 175.52 175.11 3kjv h GLU 404 N 0.00 -0.08 -0.59 4.72 4.39 -0.11 -3.34 114.58 119.57 3kjv h GLU 404 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kjv h GLU 404 Cb 0.58 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 3kjv h GLU 404 CO 0.03 0.16 0.00 0.66 -1.16 0.00 0.00 179.01 178.70 3kjv n TYR 405 N -5.02 0.99 -2.55 4.33 4.01 -1.10 -4.96 117.16 112.86 3kjv n TYR 405 Ca -0.08 -0.42 -0.27 0.00 -0.16 0.00 0.00 57.90 56.98 3kjv n TYR 405 Cb 0.16 -0.14 0.02 0.00 -0.31 0.00 0.00 39.34 39.07 3kjv n TYR 405 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 3kjv s TRP 406 N -1.62 3.38 0.00 -0.72 -0.11 -1.15 -4.79 118.94 113.93 3kjv s TRP 406 Ca 0.37 0.67 0.00 0.00 1.22 0.00 0.00 56.10 58.36 3kjv s TRP 406 Cb 0.23 -2.51 0.00 0.00 -1.50 0.00 0.00 33.47 29.68 3kjv s TRP 406 CO 0.20 -0.55 0.03 1.04 -4.62 0.00 0.00 176.95 173.05 3kjv n GLN 407 N -2.40 0.00 -4.18 5.86 1.13 -1.26 -4.81 117.38 111.72 3kjv n GLN 407 Ca 0.03 -0.03 -0.23 0.00 -1.94 0.00 0.00 57.00 54.83 3kjv n GLN 407 Cb 0.57 -0.06 -0.06 0.00 0.11 0.00 0.00 30.24 30.80 3kjv n GLN 407 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kjv s ALA 408 N 0.00 3.41 -2.34 -1.58 0.00 -1.26 -4.96 121.76 115.03 3kjv s ALA 408 Ca 0.00 -1.46 0.27 0.00 0.00 0.00 0.00 51.96 50.78 3kjv s ALA 408 Cb 0.00 -1.12 0.92 0.00 0.00 0.00 0.00 23.12 22.92 3kjv s ALA 408 CO 0.00 0.32 1.67 0.25 0.00 0.00 0.00 175.76 177.99 3kjv n THR 409 N -0.86 0.00 -4.02 0.00 -2.24 -1.26 -4.85 114.28 101.05 3kjv n THR 409 Ca -0.08 -0.23 -0.26 0.00 -2.27 0.00 0.00 64.05 61.21 3kjv n THR 409 Cb 0.57 0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 69.30 3kjv n THR 409 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 3kjv s TRP 410 N -2.13 2.04 -0.15 4.78 1.48 -1.26 -4.73 118.94 118.97 3kjv s TRP 410 Ca 0.34 -0.75 -0.05 0.00 -1.06 0.00 0.00 56.10 54.58 3kjv s TRP 410 Cb 0.20 -1.92 0.08 0.00 -1.16 0.00 0.00 33.47 30.67 3kjv s TRP 410 CO 0.38 -0.17 0.29 0.42 -4.06 0.00 0.00 176.95 173.81 3kjv s ILE 411 N -2.70 -0.46 0.56 0.66 1.01 -1.26 -5.04 121.20 113.97 3kjv s ILE 411 Ca 0.34 0.20 -0.17 0.00 0.00 0.00 0.00 60.65 61.02 3kjv s ILE 411 Cb -0.00 -0.52 -0.05 0.00 0.01 0.00 0.00 42.46 41.89 3kjv s ILE 411 CO 0.20 0.06 1.05 -2.16 0.00 0.00 0.00 174.94 174.10 3kjv s PRO 412 N 2.45 3.47 0.30 2.79 0.04 -1.26 -4.78 135.00 138.01 3kjv s PRO 412 Ca 0.02 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 62.04 3kjv s PRO 412 Cb -0.13 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 3kjv s PRO 412 CO -0.10 -0.70 1.12 -1.21 0.04 0.00 0.00 177.00 176.15 3kjv s GLU 413 N -3.81 4.53 -0.01 4.56 0.41 -1.25 -4.92 118.70 118.21 3kjv s GLU 413 Ca 0.65 1.82 -0.06 0.00 -0.41 0.00 0.00 54.97 56.97 3kjv s GLU 413 Cb -0.16 -3.09 0.00 0.00 -1.78 0.00 0.00 34.13 29.10 3kjv s GLU 413 CO 0.32 0.11 0.12 1.67 -0.49 0.00 0.00 175.26 176.99 3kjv s TRP 414 N -1.22 0.00 0.11 1.61 -2.14 -1.26 -0.57 118.94 115.47 3kjv s TRP 414 Ca 0.47 -0.01 0.10 0.00 2.66 0.00 0.00 56.10 59.31 3kjv s TRP 414 Cb -0.32 -0.03 -0.04 0.00 -3.10 0.00 0.00 33.47 29.98 3kjv s TRP 414 CO 0.41 -0.21 -0.24 -1.83 -2.66 0.00 0.00 176.95 172.42 3kjv s GLU 415 N -0.94 1.31 -0.36 3.25 -1.05 0.10 -4.92 118.70 116.10 3kjv s GLU 415 Ca -0.10 -1.24 -0.16 0.00 -0.15 0.00 0.00 54.97 53.31 3kjv s GLU 415 Cb -0.06 -1.68 -0.00 0.00 -0.44 0.00 0.00 34.13 31.95 3kjv s GLU 415 CO 0.01 0.40 0.42 -0.06 0.95 0.00 0.00 175.26 176.98 3kjv s PHE 416 N -1.07 3.19 0.65 4.83 0.08 -1.26 0.90 117.98 125.30 3kjv s PHE 416 Ca 0.11 -0.01 -0.03 0.00 0.12 0.00 0.00 56.93 57.11 3kjv s PHE 416 Cb -0.10 -2.78 0.06 0.00 -0.57 0.00 0.00 43.02 39.64 3kjv s PHE 416 CO 0.05 -0.50 0.92 0.54 -0.10 0.00 0.00 175.22 176.13 3kjv s VAL 417 N 2.15 2.41 -0.19 -0.44 0.11 0.59 -4.85 120.40 120.18 3kjv s VAL 417 Ca 0.14 -0.48 0.01 0.00 -2.93 0.00 0.00 61.98 58.72 3kjv s VAL 417 Cb -0.16 -2.93 0.02 0.00 -1.53 0.00 0.00 36.38 31.78 3kjv s VAL 417 CO 0.12 0.00 -0.19 0.20 -3.33 0.00 0.00 175.10 171.91 3kjv s ASN 418 N -4.53 3.28 0.06 3.54 -0.87 -1.26 -3.94 114.94 111.23 3kjv s ASN 418 Ca 0.60 -0.68 -0.30 0.00 -1.57 0.00 0.00 52.86 50.91 3kjv s ASN 418 Cb -0.09 -1.50 -0.05 0.00 -0.02 0.00 0.00 41.25 39.59 3kjv s ASN 418 CO 0.42 -0.01 1.06 -0.89 -2.57 0.00 0.00 177.10 175.11 3kjv s THR 419 N 1.29 4.41 -0.09 1.60 2.01 -1.26 -5.00 115.64 118.60 3kjv s THR 419 Ca 0.04 1.82 -0.29 0.00 0.31 0.00 0.00 61.69 63.57 3kjv s THR 419 Cb -0.14 -4.16 -0.06 0.00 0.01 0.00 0.00 72.50 68.15 3kjv s THR 419 CO -0.12 0.19 1.84 -2.16 -0.69 0.00 0.00 174.62 173.68 3kjv s PRO 420 N 0.65 3.91 0.00 4.92 0.04 -1.26 -4.84 135.00 138.42 3kjv s PRO 420 Ca 0.53 2.18 0.01 0.00 0.04 0.00 0.00 61.00 63.75 3kjv s PRO 420 Cb -0.25 -4.12 0.05 0.00 0.04 0.00 0.00 34.50 30.22 3kjv s PRO 420 CO 0.30 -1.19 0.52 -0.35 0.04 0.00 0.00 177.00 176.31 3kjv n PRO 421 N 7.66 0.03 -0.05 0.56 -0.04 -1.26 -1.98 135.00 139.92 3kjv n PRO 421 Ca 0.20 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.66 3kjv n PRO 421 Cb 0.43 -1.47 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 3kjv n PRO 421 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3kjv h LEU 422 N 0.00 0.00 0.00 1.53 5.85 -2.02 -3.33 115.31 117.33 3kjv h LEU 422 Ca 0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3kjv h LEU 422 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3kjv h LEU 422 CO 0.00 0.53 0.00 0.55 -0.34 0.00 0.00 178.44 179.18 3kjv n VAL 423 N -4.76 0.00 0.08 1.05 3.14 -0.84 0.63 118.33 117.64 3kjv n VAL 423 Ca -0.01 0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 61.15 3kjv n VAL 423 Cb 0.03 -0.78 -0.15 0.00 -1.06 0.00 0.00 33.84 31.88 3kjv n VAL 423 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 3kjv h LYS 424 N 0.00 0.39 -0.20 1.45 3.64 -1.67 -3.37 116.57 116.81 3kjv h LYS 424 Ca 0.00 -0.66 -0.11 0.00 -1.27 0.00 0.00 60.65 58.61 3kjv h LYS 424 Cb 0.00 0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3kjv h LYS 424 CO 0.00 1.29 -0.36 -0.07 -2.27 0.00 0.00 179.45 178.05 3kjv h LEU 425 N 0.11 0.44 0.05 5.20 4.07 0.03 -2.32 115.31 122.89 3kjv h LEU 425 Ca -0.30 -0.18 -0.00 0.00 0.08 0.00 0.00 57.88 57.48 3kjv h LEU 425 Cb 2.09 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 43.71 3kjv h LEU 425 CO 0.19 0.77 -0.03 -0.50 -1.08 0.00 0.00 178.44 177.79 3kjv h TRP 426 N 0.36 -0.07 -0.01 1.13 -0.00 -1.70 -2.87 115.95 112.79 3kjv h TRP 426 Ca 0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.93 3kjv h TRP 426 Cb 0.80 0.02 0.00 0.00 -0.00 0.00 0.00 29.16 29.98 3kjv h TRP 426 CO 0.02 -0.04 -0.24 0.66 -0.00 0.00 0.00 178.44 178.84 3kjv n TYR 427 N -5.12 0.00 -0.74 0.49 4.01 -1.20 -4.75 117.16 109.85 3kjv n TYR 427 Ca -0.08 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.33 3kjv n TYR 427 Cb 0.06 -0.14 0.15 0.00 -0.31 0.00 0.00 39.34 39.10 3kjv n TYR 427 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3kjv n GLN 428 N -0.73 -1.23 -4.35 -0.72 6.02 -0.88 -4.95 117.38 110.54 3kjv n GLN 428 Ca 0.12 -0.34 -0.24 0.00 -0.01 0.00 0.00 57.00 56.53 3kjv n GLN 428 Cb 0.34 -1.60 -0.08 0.00 1.02 0.00 0.00 30.24 29.91 3kjv n GLN 428 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3kjv s LEU 429 N 0.25 2.96 -0.01 1.08 0.20 -1.26 -4.73 118.68 117.16 3kjv s LEU 429 Ca 0.53 -0.85 0.05 0.00 0.69 0.00 0.00 54.13 54.55 3kjv s LEU 429 Cb -0.10 -1.44 -0.01 0.00 -0.43 0.00 0.00 46.19 44.21 3kjv s LEU 429 CO 0.67 -0.05 -0.15 -1.61 -0.29 0.00 0.00 176.35 174.92 3kjv s GLU 430 N -3.64 1.22 0.00 1.98 8.01 -1.26 -5.18 118.70 119.83 3kjv s GLU 430 Ca 0.32 -0.53 0.21 0.00 0.01 0.00 0.00 54.97 54.98 3kjv s GLU 430 Cb -0.04 -1.17 1.25 0.00 -4.31 0.00 0.00 34.13 29.85 3kjv s GLU 430 CO 0.18 0.32 1.63 1.63 0.01 0.00 0.00 175.26 179.04