#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k96 n PHE 4 N 0.00 3.00 -0.10 6.00 3.01 -1.26 -4.74 117.46 123.38 3k96 n PHE 4 Ca 0.00 -2.56 -0.12 0.00 1.01 0.00 0.00 57.45 55.78 3k96 n PHE 4 Cb 0.00 -0.25 -0.04 0.00 -0.01 0.00 0.00 39.48 39.18 3k96 n PHE 4 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 3k96 h LYS 5 N 2.33 0.58 -6.83 -1.08 1.57 -2.01 -3.44 116.57 107.69 3k96 h LYS 5 Ca 0.35 -0.23 -0.48 0.00 -1.87 0.00 0.00 60.65 58.42 3k96 h LYS 5 Cb 1.30 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.56 3k96 h LYS 5 CO 0.80 0.79 0.18 -1.01 -0.57 0.00 0.00 179.45 179.64 3k96 s HIS 6 N -4.71 3.37 0.55 -1.35 3.76 -1.26 -4.95 115.29 110.70 3k96 s HIS 6 Ca -0.13 1.36 -0.17 0.00 -0.15 0.00 0.00 55.06 55.96 3k96 s HIS 6 Cb 0.08 -2.64 -0.06 0.00 1.11 0.00 0.00 32.58 31.07 3k96 s HIS 6 CO 0.78 0.04 1.05 -2.14 -0.85 0.00 0.00 174.74 173.62 3k96 s PRO 7 N -2.99 3.52 -0.05 8.40 0.02 -1.26 -4.74 135.00 137.90 3k96 s PRO 7 Ca 0.56 1.24 0.00 0.00 0.02 0.00 0.00 61.00 62.82 3k96 s PRO 7 Cb -0.10 -2.06 -0.03 0.00 0.02 0.00 0.00 34.50 32.32 3k96 s PRO 7 CO 0.16 -0.65 -0.01 -1.50 -0.33 0.00 0.00 177.00 174.67 3k96 s ILE 8 N -2.31 4.13 -0.15 2.83 2.07 -0.92 -4.58 121.20 122.27 3k96 s ILE 8 Ca 0.64 -0.45 -0.06 0.00 -1.41 0.00 0.00 60.65 59.38 3k96 s ILE 8 Cb -0.16 -2.77 -0.04 0.00 0.13 0.00 0.00 42.46 39.62 3k96 s ILE 8 CO 0.31 0.50 0.05 0.00 -1.91 0.00 0.00 174.94 173.89 3k96 s ALA 9 N -0.96 3.41 -0.25 1.50 0.00 -0.95 -1.26 121.76 123.25 3k96 s ALA 9 Ca 0.16 -0.75 -0.02 0.00 0.00 0.00 0.00 51.96 51.35 3k96 s ALA 9 Cb -0.11 -1.80 0.02 0.00 0.00 0.00 0.00 23.12 21.23 3k96 s ALA 9 CO 0.06 0.34 -0.06 0.42 0.00 0.00 0.00 175.76 176.52 3k96 s ILE 10 N -0.11 2.94 -0.40 0.00 1.01 0.12 -0.39 121.20 124.37 3k96 s ILE 10 Ca 0.06 -0.97 -0.16 0.00 0.00 0.00 0.00 60.65 59.58 3k96 s ILE 10 Cb -0.12 -2.48 0.01 0.00 0.01 0.00 0.00 42.46 39.88 3k96 s ILE 10 CO 0.01 0.22 0.38 -0.76 0.00 0.00 0.00 174.94 174.79 3k96 s LEU 11 N 1.34 4.84 0.00 2.97 1.43 -0.38 -0.90 118.68 127.99 3k96 s LEU 11 Ca 0.01 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 3k96 s LEU 11 Cb -0.16 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.75 3k96 s LEU 11 CO -0.04 -0.49 0.00 0.61 0.23 0.00 0.00 176.35 176.66 3k96 n GLY 12 N 5.10 2.52 2.19 -3.19 0.00 0.04 0.01 105.19 111.86 3k96 n GLY 12 Ca -0.09 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 3k96 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k96 n ALA 13 N 0.00 5.90 -1.14 4.61 0.00 -1.19 -4.25 120.51 124.45 3k96 n ALA 13 Ca 0.00 -3.40 -0.05 0.00 0.00 0.00 0.00 53.44 49.99 3k96 n ALA 13 Cb 0.00 -1.45 0.05 0.00 0.00 0.00 0.00 19.45 18.05 3k96 n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k96 n GLY 14 N -0.94 -1.66 0.08 0.00 0.00 -1.26 -4.71 105.19 96.69 3k96 n GLY 14 Ca 0.58 -1.60 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 3k96 n GLY 14 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3k96 h SER 15 N -0.73 0.14 -0.09 1.61 4.64 -1.93 -1.35 113.55 115.84 3k96 h SER 15 Ca -0.09 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 3k96 h SER 15 Cb 0.27 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3k96 h SER 15 CO 0.06 0.10 0.01 -0.25 -0.87 0.00 0.00 176.83 175.89 3k96 h TRP 16 N 0.16 0.16 -0.88 4.77 -0.00 -1.93 -0.36 115.95 117.87 3k96 h TRP 16 Ca 0.04 -0.02 0.10 0.00 -0.00 0.00 0.00 58.89 59.01 3k96 h TRP 16 Cb -0.02 -0.04 -0.08 0.00 -0.00 0.00 0.00 29.16 29.02 3k96 h TRP 16 CO -0.07 0.37 0.52 0.78 -0.00 0.00 0.00 178.44 180.04 3k96 h GLY 17 N -0.10 1.39 1.23 2.65 0.00 -1.72 -1.09 103.07 105.43 3k96 h GLY 17 Ca 0.03 -0.34 -0.16 0.00 0.00 0.00 0.00 47.33 46.85 3k96 h GLY 17 CO 0.00 0.13 -0.42 -0.84 0.00 0.00 0.00 176.54 175.41 3k96 h THR 18 N 0.85 1.28 -0.49 4.70 2.02 -1.11 -1.68 112.91 118.48 3k96 h THR 18 Ca 0.43 -1.60 -0.03 0.00 0.77 0.00 0.00 66.41 65.98 3k96 h THR 18 Cb 0.41 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 3k96 h THR 18 CO -0.26 0.53 0.19 0.00 0.37 0.00 0.00 175.52 176.35 3k96 h ALA 19 N 0.84 0.63 -0.82 6.16 0.00 -0.46 -0.94 119.26 124.67 3k96 h ALA 19 Ca 0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3k96 h ALA 19 Cb 1.00 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 3k96 h ALA 19 CO 0.10 0.24 0.45 -0.07 0.00 0.00 0.00 179.25 179.97 3k96 h LEU 20 N 0.64 1.03 -1.17 0.00 3.38 -1.13 -1.12 115.31 116.94 3k96 h LEU 20 Ca 0.16 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3k96 h LEU 20 Cb 0.20 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3k96 h LEU 20 CO -0.01 0.83 0.12 0.00 0.09 0.00 0.00 178.44 179.47 3k96 h ALA 21 N 1.34 1.33 -0.21 1.53 0.00 -0.77 -2.41 119.26 120.08 3k96 h ALA 21 Ca 0.29 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3k96 h ALA 21 Cb 0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3k96 h ALA 21 CO -0.05 0.48 -0.31 -0.07 0.00 0.00 0.00 179.25 179.30 3k96 h LEU 22 N 0.68 0.63 -0.54 0.00 3.38 -0.59 0.23 115.31 119.10 3k96 h LEU 22 Ca 0.16 -0.52 0.09 0.00 0.09 0.00 0.00 57.88 57.70 3k96 h LEU 22 Cb 0.24 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 3k96 h LEU 22 CO -0.00 1.03 0.14 0.58 0.09 0.00 0.00 178.44 180.28 3k96 h VAL 23 N 0.25 0.73 -0.03 1.22 2.07 -0.92 -0.11 116.25 119.46 3k96 h VAL 23 Ca 0.02 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 3k96 h VAL 23 Cb 0.89 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3k96 h VAL 23 CO 0.07 0.05 -0.15 -0.07 0.02 0.00 0.00 177.57 177.50 3k96 h LEU 24 N 0.29 0.18 -1.36 2.57 3.38 -1.41 -3.29 115.31 115.67 3k96 h LEU 24 Ca 0.27 -0.66 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 3k96 h LEU 24 Cb 0.36 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3k96 h LEU 24 CO -0.33 0.81 0.14 0.00 0.09 0.00 0.00 178.44 179.16 3k96 h ALA 25 N 0.38 1.50 0.00 1.53 0.00 -0.81 -1.65 119.26 120.20 3k96 h ALA 25 Ca -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3k96 h ALA 25 Cb 0.80 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3k96 h ALA 25 CO 0.03 0.38 -0.07 0.00 0.00 0.00 0.00 179.25 179.59 3k96 h ARG 26 N 0.57 0.00 -0.01 0.00 3.08 -1.10 0.09 114.38 117.01 3k96 h ARG 26 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3k96 h ARG 26 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3k96 h ARG 26 CO -0.01 0.07 -0.03 1.63 -1.07 0.00 0.00 179.97 180.56 3k96 n LYS 27 N -3.69 1.31 -0.05 0.04 5.02 -0.63 -4.90 118.16 115.25 3k96 n LYS 27 Ca -0.02 -0.57 0.00 0.00 -2.02 0.00 0.00 58.31 55.70 3k96 n LYS 27 Cb 0.18 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3k96 n LYS 27 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k96 n GLY 28 N 1.15 0.43 3.77 0.72 0.00 0.02 -5.07 105.19 106.21 3k96 n GLY 28 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3k96 n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k96 s GLN 29 N -0.93 3.98 0.02 1.61 -0.21 -1.14 -4.97 119.66 118.02 3k96 s GLN 29 Ca 0.00 1.86 -0.30 0.00 0.02 0.00 0.00 55.36 56.94 3k96 s GLN 29 Cb 0.00 -2.63 -0.04 0.00 1.00 0.00 0.00 33.01 31.34 3k96 s GLN 29 CO 0.00 -0.39 1.05 0.15 -2.12 0.00 0.00 175.29 173.98 3k96 s LYS 30 N -2.37 4.52 -0.02 2.91 1.02 -1.26 -4.12 119.74 120.42 3k96 s LYS 30 Ca 0.58 1.54 0.03 0.00 0.02 0.00 0.00 55.97 58.14 3k96 s LYS 30 Cb -0.31 -3.42 -0.00 0.00 -0.52 0.00 0.00 37.83 33.58 3k96 s LYS 30 CO 0.39 -0.11 -0.09 0.08 -0.92 0.00 0.00 175.35 174.70 3k96 s VAL 31 N 0.99 0.74 -0.19 3.17 1.01 0.04 -2.16 120.40 124.01 3k96 s VAL 31 Ca 0.54 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 3k96 s VAL 31 Cb -0.24 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.50 3k96 s VAL 31 CO 0.28 0.22 -0.12 -0.13 0.00 0.00 0.00 175.10 175.35 3k96 s ARG 32 N 0.02 3.20 -0.23 2.72 0.52 -0.39 -1.57 118.95 123.23 3k96 s ARG 32 Ca -0.00 -0.73 -0.05 0.00 -0.52 0.00 0.00 55.73 54.43 3k96 s ARG 32 Cb -0.06 -2.76 -0.02 0.00 0.52 0.00 0.00 34.95 32.62 3k96 s ARG 32 CO 0.00 -0.15 0.01 -1.17 0.02 0.00 0.00 175.30 174.01 3k96 s LEU 33 N 1.25 3.18 -0.02 2.53 2.96 0.19 0.11 118.68 128.88 3k96 s LEU 33 Ca 0.03 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.69 3k96 s LEU 33 Cb -0.14 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 3k96 s LEU 33 CO -0.06 -0.01 -0.08 0.86 -1.32 0.00 0.00 176.35 175.75 3k96 s TRP 34 N 1.42 2.87 -0.00 5.38 -0.00 -0.07 -0.73 118.94 127.80 3k96 s TRP 34 Ca 0.05 -0.04 0.03 0.00 -0.00 0.00 0.00 56.10 56.14 3k96 s TRP 34 Cb -0.15 -1.63 -0.01 0.00 -0.00 0.00 0.00 33.47 31.69 3k96 s TRP 34 CO 0.01 0.34 -0.10 0.45 -0.00 0.00 0.00 176.95 177.65 3k96 s SER 35 N -1.22 1.21 0.13 5.86 0.15 -1.21 -0.78 113.70 117.84 3k96 s SER 35 Ca 0.15 -0.21 0.26 0.00 0.70 0.00 0.00 55.95 56.86 3k96 s SER 35 Cb -0.11 -0.13 0.81 0.00 -1.71 0.00 0.00 66.02 64.88 3k96 s SER 35 CO 0.05 0.11 1.71 0.00 1.20 0.00 0.00 173.24 176.31 3k96 n TYR 36 N 2.75 0.58 -2.71 3.44 0.18 -1.26 -4.55 117.16 115.58 3k96 n TYR 36 Ca -0.14 0.17 -0.42 0.00 1.88 0.00 0.00 57.90 59.39 3k96 n TYR 36 Cb 0.56 -0.74 -0.03 0.00 -0.38 0.00 0.00 39.34 38.75 3k96 n TYR 36 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 3k96 s GLU 37 N -3.08 3.28 0.33 -3.48 2.02 -1.26 -4.94 118.70 111.56 3k96 s GLU 37 Ca 0.11 -0.80 0.03 0.00 0.02 0.00 0.00 54.97 54.33 3k96 s GLU 37 Cb 0.14 -4.49 0.64 0.00 0.10 0.00 0.00 34.13 30.52 3k96 s GLU 37 CO 0.61 -1.99 1.92 0.77 0.02 0.00 0.00 175.26 176.59 3k96 h SER 38 N 9.67 0.80 0.57 -0.19 0.02 -1.95 -0.21 113.55 122.26 3k96 h SER 38 Ca -0.15 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 3k96 h SER 38 Cb 1.05 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.43 3k96 h SER 38 CO 1.25 0.50 -0.13 0.44 -1.14 0.00 0.00 176.83 177.74 3k96 h ASP 39 N 0.90 0.00 -0.36 3.07 3.32 -1.97 -2.93 116.42 118.45 3k96 h ASP 39 Ca 0.37 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.37 3k96 h ASP 39 Cb 0.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3k96 h ASP 39 CO -0.14 0.13 0.00 -0.74 -1.72 0.00 0.00 179.24 176.78 3k96 h HIS 40 N 0.00 0.69 -0.71 4.55 2.76 -1.43 -2.28 115.15 118.73 3k96 h HIS 40 Ca -0.00 -0.12 -0.04 0.00 -2.20 0.00 0.00 60.37 58.01 3k96 h HIS 40 Cb 0.46 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.20 3k96 h HIS 40 CO 0.00 0.73 0.28 0.28 -1.30 0.00 0.00 177.93 177.92 3k96 h VAL 41 N 0.46 1.24 -0.54 5.26 2.07 -1.49 -1.61 116.25 121.64 3k96 h VAL 41 Ca 0.10 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 66.89 3k96 h VAL 41 Cb 0.45 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 3k96 h VAL 41 CO 0.02 0.31 0.31 0.44 0.02 0.00 0.00 177.57 178.67 3k96 h ASP 42 N 1.03 0.48 -0.14 0.57 3.32 -1.46 0.11 116.42 120.34 3k96 h ASP 42 Ca 0.24 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.32 3k96 h ASP 42 Cb 0.20 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3k96 h ASP 42 CO -0.02 0.33 0.02 -0.33 -1.72 0.00 0.00 179.24 177.52 3k96 h GLU 43 N 0.60 0.07 -0.62 3.56 5.08 -0.85 -0.60 114.58 121.82 3k96 h GLU 43 Ca 0.23 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.50 3k96 h GLU 43 Cb 0.07 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3k96 h GLU 43 CO -0.12 0.05 0.07 0.52 -1.00 0.00 0.00 179.01 178.53 3k96 h MET 44 N 0.08 1.06 -0.43 2.33 2.86 -0.95 -0.28 114.93 119.59 3k96 h MET 44 Ca 0.06 -0.30 -0.03 0.00 -2.06 0.00 0.00 59.70 57.37 3k96 h MET 44 Cb 0.06 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 3k96 h MET 44 CO -0.09 1.00 0.15 1.96 1.06 0.00 0.00 176.91 180.99 3k96 h GLN 45 N 0.96 0.66 -0.31 1.72 4.20 -0.60 0.18 115.11 121.93 3k96 h GLN 45 Ca 0.19 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 3k96 h GLN 45 Cb 0.48 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 3k96 h GLN 45 CO 0.02 0.64 -0.07 0.00 -0.67 0.00 0.00 178.83 178.74 3k96 h ALA 46 N 1.00 0.42 0.00 3.87 0.00 -1.03 -3.36 119.26 120.16 3k96 h ALA 46 Ca 0.14 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3k96 h ALA 46 Cb 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3k96 h ALA 46 CO -0.01 0.25 -1.66 0.39 0.00 0.00 0.00 179.25 178.22 3k96 n GLU 47 N -4.47 0.64 -2.20 0.00 1.02 -0.12 -4.99 120.64 110.51 3k96 n GLU 47 Ca -0.03 0.03 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 3k96 n GLU 47 Cb 0.32 -1.68 -0.00 0.00 -0.02 0.00 0.00 31.44 30.07 3k96 n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k96 n GLY 48 N 1.36 0.12 3.60 0.62 0.00 0.61 -4.97 105.19 106.53 3k96 n GLY 48 Ca -0.09 -0.57 -0.08 0.00 0.00 0.00 0.00 46.02 45.27 3k96 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k96 s VAL 49 N -2.42 0.00 -0.81 1.61 0.11 -1.25 -0.92 120.40 116.71 3k96 s VAL 49 Ca 0.02 -0.34 -0.06 0.00 -2.93 0.00 0.00 61.98 58.67 3k96 s VAL 49 Cb -0.01 -1.41 0.21 0.00 -1.53 0.00 0.00 36.38 33.64 3k96 s VAL 49 CO 0.02 0.00 0.70 0.21 -3.33 0.00 0.00 175.10 172.70 3k96 s ASN 50 N -2.75 6.05 0.31 3.54 3.84 -1.26 -4.23 114.94 120.43 3k96 s ASN 50 Ca 0.06 -3.19 0.05 0.00 0.21 0.00 0.00 52.86 49.99 3k96 s ASN 50 Cb -0.02 -1.99 0.50 0.00 -0.55 0.00 0.00 41.25 39.19 3k96 s ASN 50 CO -0.05 -0.34 1.75 0.78 -2.79 0.00 0.00 177.10 176.45 3k96 h ASN 51 N 6.81 0.35 -0.55 -4.21 2.35 -1.94 0.18 115.58 118.57 3k96 h ASN 51 Ca 0.09 -0.12 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 3k96 h ASN 51 Cb 0.92 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 39.16 3k96 h ASN 51 CO 0.80 0.63 0.14 0.03 -1.65 0.00 0.00 177.43 177.38 3k96 h ARG 52 N 0.31 0.93 0.00 0.81 3.08 -1.97 -3.37 114.38 114.17 3k96 h ARG 52 Ca 0.04 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3k96 h ARG 52 Cb 0.66 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3k96 h ARG 52 CO 0.05 0.83 -0.43 0.66 -1.07 0.00 0.00 179.97 180.02 3k96 n TYR 53 N -4.26 0.00 -2.93 3.04 4.01 -1.19 -4.89 117.16 110.94 3k96 n TYR 53 Ca 0.04 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.65 3k96 n TYR 53 Cb 0.24 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.30 3k96 n TYR 53 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 3k96 n LEU 54 N -0.96 -1.18 -4.74 7.72 7.94 0.59 -4.25 117.00 122.11 3k96 n LEU 54 Ca 0.00 -4.15 -0.33 0.00 -1.11 0.00 0.00 56.01 50.41 3k96 n LEU 54 Cb 0.00 0.82 0.07 0.00 0.53 0.00 0.00 43.42 44.84 3k96 n LEU 54 CO 0.00 2.13 0.76 -2.16 -1.11 0.00 0.00 177.39 177.01 3k96 s PRO 55 N -0.64 2.42 0.00 1.96 0.04 -0.91 -3.67 135.00 134.21 3k96 s PRO 55 Ca 0.31 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.90 3k96 s PRO 55 Cb 0.28 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.93 3k96 s PRO 55 CO -0.10 -1.57 0.00 0.09 0.04 0.00 0.00 177.00 175.46 3k96 n ASN 56 N -2.64 -2.13 -3.71 6.66 5.03 -1.26 -5.00 115.26 112.21 3k96 n ASN 56 Ca 0.12 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.28 3k96 n ASN 56 Cb 0.51 -0.35 -0.12 0.00 -1.02 0.00 0.00 39.78 38.80 3k96 n ASN 56 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3k96 s TYR 57 N -2.39 2.42 0.54 3.10 2.02 -1.24 -5.12 117.35 116.67 3k96 s TYR 57 Ca 0.00 -2.79 -0.21 0.00 -0.37 0.00 0.00 57.07 53.69 3k96 s TYR 57 Cb 0.00 -1.99 -0.06 0.00 -0.40 0.00 0.00 41.96 39.51 3k96 s TYR 57 CO 0.00 -0.70 1.21 -2.30 -1.57 0.00 0.00 175.55 172.18 3k96 n PRO 58 N 2.72 1.45 -2.44 -1.71 -0.02 -1.26 -4.58 135.00 129.16 3k96 n PRO 58 Ca 0.19 0.54 -0.40 0.00 -2.02 0.00 0.00 63.50 61.80 3k96 n PRO 58 Cb 0.38 -2.39 -0.04 0.00 -0.02 0.00 0.00 33.50 31.44 3k96 n PRO 58 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3k96 s PHE 59 N -1.34 3.50 0.88 6.00 0.08 -0.10 -4.99 117.98 122.01 3k96 s PHE 59 Ca 0.71 1.67 -0.12 0.00 0.12 0.00 0.00 56.93 59.31 3k96 s PHE 59 Cb -0.44 -3.32 0.12 0.00 -0.57 0.00 0.00 43.02 38.81 3k96 s PHE 59 CO 0.50 -0.70 1.10 -2.14 -0.10 0.00 0.00 175.22 173.88 3k96 s PRO 60 N -1.56 1.42 0.52 0.24 0.02 -1.26 -4.93 135.00 129.45 3k96 s PRO 60 Ca 0.46 0.63 0.18 0.00 0.02 0.00 0.00 61.00 62.29 3k96 s PRO 60 Cb -0.32 -1.84 1.28 0.00 0.02 0.00 0.00 34.50 33.64 3k96 s PRO 60 CO 0.41 -2.08 2.12 1.49 -0.33 0.00 0.00 177.00 178.61 3k96 h GLU 61 N -1.43 0.01 0.00 5.54 4.57 -1.96 -2.36 114.58 118.96 3k96 h GLU 61 Ca -0.49 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3k96 h GLU 61 Cb 1.29 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 3k96 h GLU 61 CO 0.58 0.01 0.00 0.25 -1.18 0.00 0.00 179.01 178.67 3k96 n THR 62 N -4.51 0.02 -3.77 0.32 -2.24 -1.26 -4.69 114.28 98.16 3k96 n THR 62 Ca -0.00 0.01 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 3k96 n THR 62 Cb 0.19 -0.54 -0.13 0.00 -2.10 0.00 0.00 70.33 67.76 3k96 n THR 62 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3k96 s LEU 63 N -2.20 3.38 -0.03 3.22 2.96 -0.89 -0.78 118.68 124.35 3k96 s LEU 63 Ca 0.39 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 54.09 3k96 s LEU 63 Cb 0.20 -1.90 -0.00 0.00 0.50 0.00 0.00 46.19 44.99 3k96 s LEU 63 CO 0.38 -0.04 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.70 3k96 s LYS 64 N 1.60 1.29 0.11 1.98 -0.14 -0.61 -4.77 119.74 119.21 3k96 s LYS 64 Ca 0.06 -0.44 -0.19 0.00 -1.36 0.00 0.00 55.97 54.04 3k96 s LYS 64 Cb -0.15 -1.17 -0.07 0.00 -1.68 0.00 0.00 37.83 34.76 3k96 s LYS 64 CO 0.03 0.18 0.60 0.00 -0.76 0.00 0.00 175.35 175.40 3k96 s ALA 65 N 0.08 3.56 0.03 5.17 0.00 -1.26 -0.64 121.76 128.70 3k96 s ALA 65 Ca -0.02 0.04 0.05 0.00 0.00 0.00 0.00 51.96 52.03 3k96 s ALA 65 Cb -0.09 -2.66 -0.02 0.00 0.00 0.00 0.00 23.12 20.35 3k96 s ALA 65 CO 0.01 0.39 -0.15 0.71 0.00 0.00 0.00 175.76 176.72 3k96 s TYR 66 N -1.22 1.36 -0.63 0.00 1.51 0.09 -4.89 117.35 113.56 3k96 s TYR 66 Ca 0.33 -0.33 0.15 0.00 -1.01 0.00 0.00 57.07 56.21 3k96 s TYR 66 Cb -0.19 -0.82 -0.18 0.00 -0.11 0.00 0.00 41.96 40.66 3k96 s TYR 66 CO 0.20 0.03 0.61 0.00 -1.11 0.00 0.00 175.55 175.28 3k96 s ASP 68 N -2.64 6.01 0.07 0.00 2.15 -1.26 -4.86 116.67 116.14 3k96 s ASP 68 Ca 0.04 0.02 -0.24 0.00 0.43 0.00 0.00 52.55 52.80 3k96 s ASP 68 Cb 0.11 -2.11 -0.16 0.00 -0.30 0.00 0.00 42.92 40.47 3k96 s ASP 68 CO 0.64 -0.01 1.64 0.25 -0.17 0.00 0.00 175.17 177.51 3k96 h LEU 69 N 8.10 -0.07 -0.30 -1.34 5.85 -1.95 -0.05 115.31 125.55 3k96 h LEU 69 Ca -0.36 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.33 3k96 h LEU 69 Cb 1.18 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 3k96 h LEU 69 CO 0.58 0.04 -0.03 0.50 -0.34 0.00 0.00 178.44 179.19 3k96 h LYS 70 N -0.18 0.05 -0.67 1.25 3.64 -1.95 -1.77 116.57 116.95 3k96 h LYS 70 Ca -0.01 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3k96 h LYS 70 Cb 0.15 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 3k96 h LYS 70 CO 0.01 0.04 0.34 0.00 -2.27 0.00 0.00 179.45 177.57 3k96 h ALA 71 N 1.27 1.34 -0.04 5.00 0.00 -1.91 -1.40 119.26 123.52 3k96 h ALA 71 Ca 0.14 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3k96 h ALA 71 Cb 0.20 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3k96 h ALA 71 CO -0.26 0.53 -0.38 0.66 0.00 0.00 0.00 179.25 179.79 3k96 h SER 72 N 0.94 0.08 0.18 0.00 4.64 -0.20 -2.95 113.55 116.24 3k96 h SER 72 Ca 0.23 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3k96 h SER 72 Cb 0.07 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3k96 h SER 72 CO -0.03 0.46 -0.41 0.18 -0.87 0.00 0.00 176.83 176.16 3k96 n LEU 73 N -4.07 1.24 -4.66 5.97 4.77 -0.74 -4.73 117.00 114.77 3k96 n LEU 73 Ca -0.02 -0.39 -0.43 0.00 -0.03 0.00 0.00 56.01 55.15 3k96 n LEU 73 Cb 0.43 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 3k96 n LEU 73 CO 0.40 0.24 1.20 -0.70 -1.33 0.00 0.00 177.39 177.19 3k96 s GLU 74 N -2.59 4.22 0.00 3.23 2.56 -0.58 -2.11 118.70 123.43 3k96 s GLU 74 Ca 0.20 1.89 0.00 0.00 0.00 0.00 0.00 54.97 57.06 3k96 s GLU 74 Cb 0.18 -3.83 0.00 0.00 2.00 0.00 0.00 34.13 32.48 3k96 s GLU 74 CO 0.58 -0.74 0.00 0.41 -0.56 0.00 0.00 175.26 174.95 3k96 n GLY 75 N 3.81 0.61 3.18 -1.50 0.00 -1.26 -5.03 105.19 105.01 3k96 n GLY 75 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 3k96 n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k96 s VAL 76 N -2.09 1.66 -0.02 1.61 1.01 -0.90 -4.57 120.40 117.11 3k96 s VAL 76 Ca 0.00 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.15 3k96 s VAL 76 Cb 0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 3k96 s VAL 76 CO 0.00 0.47 0.05 0.35 0.00 0.00 0.00 175.10 175.97 3k96 n THR 77 N 3.11 0.00 -3.65 3.92 -2.24 -1.26 -4.91 114.28 109.25 3k96 n THR 77 Ca -0.18 -0.14 -0.37 0.00 -2.27 0.00 0.00 64.05 61.09 3k96 n THR 77 Cb 0.53 0.59 -0.11 0.00 -2.10 0.00 0.00 70.33 69.23 3k96 n THR 77 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3k96 s ASP 78 N -1.96 5.82 -0.05 3.42 1.01 -1.26 -0.73 116.67 122.92 3k96 s ASP 78 Ca -0.00 -0.04 0.04 0.00 0.71 0.00 0.00 52.55 53.26 3k96 s ASP 78 Cb 0.01 -2.07 -0.00 0.00 1.01 0.00 0.00 42.92 41.87 3k96 s ASP 78 CO 0.07 -0.03 -0.18 -0.63 0.21 0.00 0.00 175.17 174.62 3k96 s ILE 79 N 1.61 1.49 -0.27 0.77 1.01 -0.53 -2.24 121.20 123.03 3k96 s ILE 79 Ca 0.07 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 60.00 3k96 s ILE 79 Cb -0.15 -1.28 0.07 0.00 0.01 0.00 0.00 42.46 41.11 3k96 s ILE 79 CO 0.08 0.43 -0.06 -0.22 0.00 0.00 0.00 174.94 175.17 3k96 s LEU 80 N 0.05 3.55 -0.13 2.97 2.96 0.48 -0.09 118.68 128.46 3k96 s LEU 80 Ca -0.04 -1.53 -0.19 0.00 -0.22 0.00 0.00 54.13 52.14 3k96 s LEU 80 Cb -0.12 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 3k96 s LEU 80 CO 0.02 -0.24 0.53 -0.63 -1.32 0.00 0.00 176.35 174.72 3k96 s ILE 81 N 1.12 5.14 -0.33 6.68 1.01 0.25 -1.25 121.20 133.82 3k96 s ILE 81 Ca -0.04 1.05 0.17 0.00 0.00 0.00 0.00 60.65 61.84 3k96 s ILE 81 Cb -0.20 -3.87 0.46 0.00 0.01 0.00 0.00 42.46 38.86 3k96 s ILE 81 CO -0.06 0.27 0.96 0.52 0.00 0.00 0.00 174.94 176.63 3k96 n VAL 82 N 3.93 1.07 -3.30 2.92 0.31 0.10 -0.40 118.33 122.97 3k96 n VAL 82 Ca -0.05 -3.16 -0.19 0.00 -0.01 0.00 0.00 64.34 60.93 3k96 n VAL 82 Cb 0.51 0.57 0.00 0.00 -0.91 0.00 0.00 33.84 34.01 3k96 n VAL 82 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3k96 s VAL 83 N -3.27 3.78 0.79 2.52 -7.23 -1.24 -4.54 120.40 111.21 3k96 s VAL 83 Ca 0.28 -0.95 -0.13 0.00 -1.81 0.00 0.00 61.98 59.37 3k96 s VAL 83 Cb 0.45 -3.31 0.08 0.00 0.56 0.00 0.00 36.38 34.16 3k96 s VAL 83 CO 0.03 -0.13 1.18 -2.84 -0.31 0.00 0.00 175.10 173.03 3k96 s PRO 84 N -4.26 1.78 0.45 4.82 0.02 -1.26 -4.57 135.00 131.97 3k96 s PRO 84 Ca 0.48 1.65 0.13 0.00 0.02 0.00 0.00 61.00 63.28 3k96 s PRO 84 Cb -0.10 -1.80 1.04 0.00 0.02 0.00 0.00 34.50 33.66 3k96 s PRO 84 CO 0.32 -2.09 2.04 0.66 -0.33 0.00 0.00 177.00 177.61 3k96 h SER 85 N -0.88 0.31 0.61 2.53 4.64 -1.90 -0.11 113.55 118.76 3k96 h SER 85 Ca -0.46 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3k96 h SER 85 Cb 1.28 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3k96 h SER 85 CO 0.47 0.21 0.00 2.22 -0.87 0.00 0.00 176.83 178.86 3k96 n PHE 86 N -4.48 0.00 0.43 4.77 1.16 -1.26 -2.67 117.46 115.41 3k96 n PHE 86 Ca 0.05 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.68 3k96 n PHE 86 Cb 0.22 -0.44 0.02 0.00 -1.61 0.00 0.00 39.48 37.67 3k96 n PHE 86 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3k96 n ALA 87 N -1.44 2.67 -0.01 1.98 0.00 -0.09 -4.72 120.51 118.90 3k96 n ALA 87 Ca 0.06 -0.50 -0.10 0.00 0.00 0.00 0.00 53.44 52.90 3k96 n ALA 87 Cb 0.22 -0.34 -0.04 0.00 0.00 0.00 0.00 19.45 19.28 3k96 n ALA 87 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3k96 h PHE 88 N 1.49 0.10 -0.82 0.00 3.57 -1.24 -2.15 116.94 117.89 3k96 h PHE 88 Ca 0.00 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.57 3k96 h PHE 88 Cb 0.37 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 3k96 h PHE 88 CO 0.00 0.06 0.54 1.12 -2.23 0.00 0.00 178.31 177.80 3k96 h HIS 89 N 0.12 0.92 -0.00 0.41 2.07 -1.85 -0.39 115.15 116.44 3k96 h HIS 89 Ca 0.05 0.02 -0.21 0.00 -2.85 0.00 0.00 60.37 57.39 3k96 h HIS 89 Cb 0.02 -0.30 -0.01 0.00 2.57 0.00 0.00 27.41 29.69 3k96 h HIS 89 CO -0.09 0.48 -0.90 1.05 -3.07 0.00 0.00 177.93 175.40 3k96 h GLU 90 N 0.90 0.29 -0.22 5.12 4.11 -1.80 -2.01 114.58 120.98 3k96 h GLU 90 Ca 0.36 -0.31 -0.04 0.00 0.07 0.00 0.00 59.36 59.43 3k96 h GLU 90 Cb 0.23 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3k96 h GLU 90 CO -0.13 1.01 -0.02 0.28 0.07 0.00 0.00 179.01 180.23 3k96 h VAL 91 N 0.17 1.27 -0.68 -1.06 2.07 -0.75 -2.17 116.25 115.09 3k96 h VAL 91 Ca -0.06 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.54 3k96 h VAL 91 Cb 1.52 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.70 3k96 h VAL 91 CO 0.15 0.29 0.43 0.40 0.02 0.00 0.00 177.57 178.86 3k96 h ILE 92 N 0.15 1.12 -0.49 4.57 1.08 -1.11 -1.48 117.51 121.35 3k96 h ILE 92 Ca 0.06 -0.30 0.05 0.00 -0.39 0.00 0.00 64.86 64.29 3k96 h ILE 92 Cb 0.44 0.18 -0.05 0.00 -3.07 0.00 0.00 36.82 34.32 3k96 h ILE 92 CO 0.01 0.16 0.22 0.74 -0.69 0.00 0.00 178.15 178.59 3k96 h THR 93 N 0.86 0.91 0.00 -0.27 2.02 -1.27 -1.61 112.91 113.55 3k96 h THR 93 Ca 0.27 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.30 3k96 h THR 93 Cb -0.02 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 3k96 h THR 93 CO -0.09 0.08 0.00 0.03 0.37 0.00 0.00 175.52 175.91 3k96 h ARG 94 N 0.43 0.00 0.00 6.66 3.08 -0.89 -2.41 114.38 121.25 3k96 h ARG 94 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3k96 h ARG 94 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3k96 h ARG 94 CO -0.19 0.00 -0.21 -1.33 -1.07 0.00 0.00 179.97 177.17 3k96 n MET 95 N -2.84 0.21 -0.20 0.04 2.81 -0.60 -4.35 117.12 112.18 3k96 n MET 95 Ca 0.01 0.13 0.01 0.00 -1.81 0.00 0.00 57.70 56.04 3k96 n MET 95 Cb 0.29 -1.70 0.11 0.00 -0.71 0.00 0.00 33.22 31.20 3k96 n MET 95 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3k96 h LYS 96 N 0.00 0.14 0.00 0.03 1.57 -1.28 0.68 116.57 117.71 3k96 h LYS 96 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3k96 h LYS 96 Cb 0.68 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3k96 h LYS 96 CO 0.00 0.09 0.00 -2.30 -0.57 0.00 0.00 179.45 176.67 3k96 n PRO 97 N -5.25 0.88 0.00 3.15 -0.02 -1.26 -3.45 135.00 129.04 3k96 n PRO 97 Ca 0.09 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.62 3k96 n PRO 97 Cb 0.36 -1.44 0.01 0.00 -0.02 0.00 0.00 33.50 32.41 3k96 n PRO 97 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3k96 n LEU 98 N -0.94 1.44 -4.77 2.45 4.77 0.22 -5.01 117.00 115.16 3k96 n LEU 98 Ca 0.19 -0.85 -0.38 0.00 -0.03 0.00 0.00 56.01 54.93 3k96 n LEU 98 Cb 0.08 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.13 3k96 n LEU 98 CO 0.14 0.28 0.74 -0.63 -1.33 0.00 0.00 177.39 176.59 3k96 s ILE 99 N -1.17 3.71 0.48 -0.08 -1.09 -1.11 -5.04 121.20 116.90 3k96 s ILE 99 Ca 0.10 1.51 0.02 0.00 -2.23 0.00 0.00 60.65 60.04 3k96 s ILE 99 Cb 0.08 -3.88 -0.01 0.00 -1.58 0.00 0.00 42.46 37.07 3k96 s ILE 99 CO 0.21 0.20 0.06 1.51 -1.23 0.00 0.00 174.94 175.69 3k96 s ASP 100 N -1.27 3.66 0.49 3.58 -4.77 -1.26 -5.03 116.67 112.06 3k96 s ASP 100 Ca 0.50 -1.71 0.21 0.00 -3.30 0.00 0.00 52.55 48.25 3k96 s ASP 100 Cb -0.26 0.63 1.25 0.00 -1.09 0.00 0.00 42.92 43.46 3k96 s ASP 100 CO 0.33 -0.94 1.98 0.00 0.70 0.00 0.00 175.17 177.24 3k96 h ALA 101 N 1.47 2.32 -0.13 2.11 0.00 -2.02 -2.57 119.26 120.44 3k96 h ALA 101 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3k96 h ALA 101 Cb 1.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3k96 h ALA 101 CO 0.66 -0.48 0.00 0.36 0.00 0.00 0.00 179.25 179.79 3k96 n LYS 102 N -4.42 2.20 -1.84 0.00 2.85 -1.26 -5.04 118.16 110.65 3k96 n LYS 102 Ca 0.10 -2.53 -0.41 0.00 -1.05 0.00 0.00 58.31 54.42 3k96 n LYS 102 Cb 0.54 -1.56 -0.02 0.00 -0.65 0.00 0.00 35.03 33.34 3k96 n LYS 102 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3k96 s THR 103 N -2.51 2.22 -0.03 0.58 2.01 -0.97 -4.84 115.64 112.09 3k96 s THR 103 Ca 0.32 0.19 0.05 0.00 0.31 0.00 0.00 61.69 62.55 3k96 s THR 103 Cb 0.26 -3.12 -0.01 0.00 0.01 0.00 0.00 72.50 69.64 3k96 s THR 103 CO 0.06 0.03 -0.18 -0.13 -0.69 0.00 0.00 174.62 173.71 3k96 s ARG 104 N -0.64 1.65 -0.15 4.92 0.52 0.09 -4.29 118.95 121.05 3k96 s ARG 104 Ca 0.61 -0.63 0.01 0.00 -0.52 0.00 0.00 55.73 55.19 3k96 s ARG 104 Cb -0.46 -1.50 0.02 0.00 0.52 0.00 0.00 34.95 33.53 3k96 s ARG 104 CO 0.48 0.32 -0.15 0.42 0.02 0.00 0.00 175.30 176.39 3k96 s ILE 105 N -0.19 1.64 0.24 1.52 1.01 -0.51 -1.45 121.20 123.46 3k96 s ILE 105 Ca 0.01 -0.68 0.11 0.00 0.00 0.00 0.00 60.65 60.09 3k96 s ILE 105 Cb -0.09 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 3k96 s ILE 105 CO 0.01 0.47 -0.16 0.00 0.00 0.00 0.00 174.94 175.26 3k96 s ALA 106 N 1.41 2.80 0.02 9.38 0.00 0.87 -2.31 121.76 133.93 3k96 s ALA 106 Ca 0.04 -1.70 -0.06 0.00 0.00 0.00 0.00 51.96 50.24 3k96 s ALA 106 Cb -0.13 -0.46 -0.00 0.00 0.00 0.00 0.00 23.12 22.53 3k96 s ALA 106 CO -0.10 0.35 0.11 1.67 0.00 0.00 0.00 175.76 177.80 3k96 s TRP 107 N -2.10 0.11 -0.92 0.00 -2.14 -0.50 -0.58 118.94 112.81 3k96 s TRP 107 Ca 0.27 -0.28 0.11 0.00 2.66 0.00 0.00 56.10 58.86 3k96 s TRP 107 Cb -0.07 -0.09 -0.02 0.00 -3.10 0.00 0.00 33.47 30.20 3k96 s TRP 107 CO 0.14 -0.31 0.63 0.41 -2.66 0.00 0.00 176.95 175.17 3k96 n GLY 108 N 1.24 -0.11 3.74 3.67 0.00 0.46 -1.68 105.19 112.51 3k96 n GLY 108 Ca -0.22 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 3k96 n GLY 108 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3k96 n THR 109 N -0.40 3.07 -4.63 2.61 -1.04 -1.21 -4.94 114.28 107.74 3k96 n THR 109 Ca 0.04 -0.50 -0.25 0.00 -2.04 0.00 0.00 64.05 61.30 3k96 n THR 109 Cb 0.22 -1.71 -0.16 0.00 -1.82 0.00 0.00 70.33 66.85 3k96 n THR 109 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3k96 s LYS 110 N -2.53 1.70 0.00 -2.82 1.02 -1.26 -4.99 119.74 110.86 3k96 s LYS 110 Ca 0.65 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 56.19 3k96 s LYS 110 Cb -0.45 -1.41 0.00 0.00 -0.52 0.00 0.00 37.83 35.45 3k96 s LYS 110 CO 0.55 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 175.46 3k96 n GLY 111 N 3.67 3.48 3.81 -3.33 0.00 -1.26 -4.38 105.19 107.19 3k96 n GLY 111 Ca -0.22 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 3k96 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k96 s LEU 112 N 0.00 3.79 0.69 0.99 1.43 -1.26 -4.65 118.68 119.67 3k96 s LEU 112 Ca 0.00 1.79 -0.02 0.00 -1.03 0.00 0.00 54.13 54.86 3k96 s LEU 112 Cb 0.00 -4.54 0.10 0.00 0.03 0.00 0.00 46.19 41.77 3k96 s LEU 112 CO 0.00 -0.68 0.96 0.00 0.23 0.00 0.00 176.35 176.86 3k96 s ALA 113 N -2.20 3.55 -0.01 4.21 0.00 0.82 -4.69 121.76 123.43 3k96 s ALA 113 Ca 0.64 -1.44 -0.39 0.00 0.00 0.00 0.00 51.96 50.77 3k96 s ALA 113 Cb -0.13 -2.19 -0.19 0.00 0.00 0.00 0.00 23.12 20.61 3k96 s ALA 113 CO 0.22 -1.31 1.22 1.17 0.00 0.00 0.00 175.76 177.05 3k96 n LYS 114 N -2.79 0.44 -0.63 0.00 4.81 -1.26 -1.24 118.16 117.49 3k96 n LYS 114 Ca 0.12 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 3k96 n LYS 114 Cb 0.60 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.94 3k96 n LYS 114 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k96 n GLY 115 N 2.09 0.64 3.63 3.14 0.00 -1.26 -3.96 105.19 109.46 3k96 n GLY 115 Ca 0.20 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 3k96 n GLY 115 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k96 n SER 116 N 0.84 -4.77 -4.82 1.61 7.64 -0.38 -4.98 113.62 108.77 3k96 n SER 116 Ca 0.00 -0.62 -0.37 0.00 1.01 0.00 0.00 58.87 58.89 3k96 n SER 116 Cb 0.00 -4.78 -0.07 0.00 -1.01 0.00 0.00 64.21 58.36 3k96 n SER 116 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3k96 s ARG 117 N -6.14 3.79 0.43 1.43 0.52 -0.66 -4.84 118.95 113.48 3k96 s ARG 117 Ca 0.43 -0.04 -0.25 0.00 -0.52 0.00 0.00 55.73 55.35 3k96 s ARG 117 Cb -0.20 -3.28 -0.08 0.00 0.52 0.00 0.00 34.95 31.92 3k96 s ARG 117 CO 0.75 0.58 1.29 -0.51 0.02 0.00 0.00 175.30 177.44 3k96 s LEU 118 N -0.52 4.14 0.25 2.53 1.02 -1.26 -0.13 118.68 124.71 3k96 s LEU 118 Ca 0.15 2.62 -0.05 0.00 0.02 0.00 0.00 54.13 56.87 3k96 s LEU 118 Cb -0.13 -4.00 0.29 0.00 0.02 0.00 0.00 46.19 42.37 3k96 s LEU 118 CO 0.04 -0.96 1.85 -0.07 0.02 0.00 0.00 176.35 177.24 3k96 h LEU 119 N 2.42 1.02 -1.32 1.79 3.38 -1.96 -1.98 115.31 118.66 3k96 h LEU 119 Ca -0.50 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.29 3k96 h LEU 119 Cb 1.25 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3k96 h LEU 119 CO 0.61 0.85 -0.34 1.12 0.09 0.00 0.00 178.44 180.78 3k96 h HIS 120 N 1.12 0.00 -0.31 1.13 2.07 -1.99 -1.21 115.15 115.96 3k96 h HIS 120 Ca 0.27 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.62 3k96 h HIS 120 Cb 0.10 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.07 3k96 h HIS 120 CO 0.01 0.34 -0.50 1.49 -3.07 0.00 0.00 177.93 176.20 3k96 h GLU 121 N 0.00 0.89 -0.42 5.12 4.22 -1.77 0.17 114.58 122.79 3k96 h GLU 121 Ca -0.00 -0.54 -0.03 0.00 0.08 0.00 0.00 59.36 58.87 3k96 h GLU 121 Cb 0.61 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 3k96 h GLU 121 CO 0.04 1.18 0.16 0.28 -2.18 0.00 0.00 179.01 178.50 3k96 h VAL 122 N 0.69 1.20 0.20 0.32 2.07 -0.93 0.21 116.25 120.01 3k96 h VAL 122 Ca 0.03 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3k96 h VAL 122 Cb 1.10 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3k96 h VAL 122 CO 0.11 0.23 -0.10 0.58 0.02 0.00 0.00 177.57 178.42 3k96 h VAL 123 N 0.54 0.85 -0.03 2.57 2.07 -1.12 -1.76 116.25 119.37 3k96 h VAL 123 Ca 0.14 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 3k96 h VAL 123 Cb 0.20 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3k96 h VAL 123 CO -0.01 0.06 0.01 0.00 0.02 0.00 0.00 177.57 177.65 3k96 h ALA 124 N 0.38 0.04 -0.41 1.67 0.00 -0.53 -0.15 119.26 120.26 3k96 h ALA 124 Ca -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3k96 h ALA 124 Cb 0.30 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3k96 h ALA 124 CO 0.05 -0.39 0.21 1.15 0.00 0.00 0.00 179.25 180.27 3k96 h THR 125 N -0.11 1.16 0.09 0.00 2.02 -0.62 -0.10 112.91 115.35 3k96 h THR 125 Ca 0.01 -0.43 -0.29 0.00 0.77 0.00 0.00 66.41 66.47 3k96 h THR 125 Cb 0.15 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3k96 h THR 125 CO -0.00 0.17 -1.44 -0.33 0.37 0.00 0.00 175.52 174.29 3k96 h GLU 126 N 0.53 0.18 -0.01 6.66 4.39 -1.32 -3.38 114.58 121.63 3k96 h GLU 126 Ca 0.14 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.53 3k96 h GLU 126 Cb 0.08 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3k96 h GLU 126 CO -0.02 1.03 -0.24 1.28 -1.16 0.00 0.00 179.01 179.90 3k96 n LEU 127 N -3.40 1.27 0.00 1.33 4.77 -0.07 -4.96 117.00 115.95 3k96 n LEU 127 Ca -0.13 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 3k96 n LEU 127 Cb 1.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 3k96 n LEU 127 CO 0.49 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 3k96 n GLY 128 N 0.95 1.30 2.84 -0.72 0.00 -0.05 -4.73 105.19 104.78 3k96 n GLY 128 Ca 0.05 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.78 3k96 n GLY 128 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k96 n GLN 129 N 1.48 2.25 -2.21 1.61 1.13 -1.24 -4.16 117.38 116.23 3k96 n GLN 129 Ca 0.00 -2.10 -0.29 0.00 -1.94 0.00 0.00 57.00 52.67 3k96 n GLN 129 Cb 0.00 -2.99 0.02 0.00 0.11 0.00 0.00 30.24 27.39 3k96 n GLN 129 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 3k96 s VAL 130 N 3.92 4.15 0.25 5.09 -7.23 -1.26 -5.00 120.40 120.31 3k96 s VAL 130 Ca 0.53 0.37 -0.31 0.00 -1.81 0.00 0.00 61.98 60.75 3k96 s VAL 130 Cb 0.14 -3.65 -0.12 0.00 0.56 0.00 0.00 36.38 33.31 3k96 s VAL 130 CO 0.01 -0.75 1.66 -2.65 -0.31 0.00 0.00 175.10 173.05 3k96 n PRO 131 N -2.65 2.74 -4.20 4.82 -0.02 -1.26 -4.90 135.00 129.52 3k96 n PRO 131 Ca 0.04 0.98 -0.15 0.00 -2.02 0.00 0.00 63.50 62.36 3k96 n PRO 131 Cb 0.56 -2.80 -0.11 0.00 -0.02 0.00 0.00 33.50 31.14 3k96 n PRO 131 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3k96 s MET 132 N 0.29 0.93 -0.02 -0.52 -1.94 -1.26 -1.42 119.30 115.35 3k96 s MET 132 Ca 0.69 -1.23 -0.27 0.00 -1.71 0.00 0.00 55.69 53.17 3k96 s MET 132 Cb -0.50 -0.63 0.06 0.00 2.01 0.00 0.00 34.83 35.77 3k96 s MET 132 CO 0.41 0.10 0.60 0.00 -0.01 0.00 0.00 175.02 176.12 3k96 s ALA 133 N -2.56 -1.57 -0.04 3.03 0.00 -0.98 -1.99 121.76 117.66 3k96 s ALA 133 Ca 0.08 1.03 0.04 0.00 0.00 0.00 0.00 51.96 53.12 3k96 s ALA 133 Cb -0.02 0.12 -0.00 0.00 0.00 0.00 0.00 23.12 23.22 3k96 s ALA 133 CO 0.01 -0.40 -0.16 0.54 0.00 0.00 0.00 175.76 175.74 3k96 s VAL 134 N -1.54 1.37 -0.17 0.00 0.11 0.13 -1.41 120.40 118.89 3k96 s VAL 134 Ca -0.10 -0.69 -0.03 0.00 -2.93 0.00 0.00 61.98 58.24 3k96 s VAL 134 Cb -0.01 -1.18 -0.02 0.00 -1.53 0.00 0.00 36.38 33.64 3k96 s VAL 134 CO 0.06 0.40 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.54 3k96 s ILE 135 N 0.06 3.47 -0.26 7.04 1.01 -0.68 -1.18 121.20 130.67 3k96 s ILE 135 Ca -0.04 -0.49 -0.20 0.00 0.00 0.00 0.00 60.65 59.92 3k96 s ILE 135 Cb -0.11 -2.53 0.07 0.00 0.01 0.00 0.00 42.46 39.90 3k96 s ILE 135 CO 0.02 0.47 0.67 -0.55 0.00 0.00 0.00 174.94 175.55 3k96 s SER 136 N 0.78 -0.79 0.00 3.58 0.15 -0.36 -4.48 113.70 112.59 3k96 s SER 136 Ca -0.02 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.03 3k96 s SER 136 Cb -0.15 1.36 0.00 0.00 -1.71 0.00 0.00 66.02 65.52 3k96 s SER 136 CO 0.02 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.83 3k96 n GLY 137 N 3.41 -1.36 3.58 9.45 0.00 -1.26 -0.58 105.19 118.42 3k96 n GLY 137 Ca -0.17 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 3k96 n GLY 137 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k96 s PRO 138 N -1.63 3.11 -0.46 1.61 0.04 -1.25 -4.72 135.00 131.70 3k96 s PRO 138 Ca 0.00 0.91 0.06 0.00 0.04 0.00 0.00 61.00 62.01 3k96 s PRO 138 Cb 0.00 -4.23 0.21 0.00 0.04 0.00 0.00 34.50 30.52 3k96 s PRO 138 CO 0.00 -2.14 0.61 -1.13 0.04 0.00 0.00 177.00 174.38 3k96 n SER 139 N 10.84 -1.76 -4.70 6.66 3.41 -1.26 -4.43 113.62 122.38 3k96 n SER 139 Ca 0.19 -2.79 -0.44 0.00 -0.26 0.00 0.00 58.87 55.57 3k96 n SER 139 Cb 0.49 0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 65.03 3k96 n SER 139 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3k96 n LEU 140 N 2.34 3.56 -0.32 1.04 4.77 -1.26 -4.88 117.00 122.26 3k96 n LEU 140 Ca 0.20 1.09 -0.04 0.00 -0.03 0.00 0.00 56.01 57.23 3k96 n LEU 140 Cb 0.54 -1.50 0.08 0.00 -2.33 0.00 0.00 43.42 40.22 3k96 n LEU 140 CO 0.06 -0.10 1.19 0.00 -1.33 0.00 0.00 177.39 177.21 3k96 h ALA 141 N 5.85 1.09 -0.91 -1.18 0.00 -1.96 -2.59 119.26 119.56 3k96 h ALA 141 Ca -0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 3k96 h ALA 141 Cb 1.24 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3k96 h ALA 141 CO 0.88 0.56 0.50 1.79 0.00 0.00 0.00 179.25 182.99 3k96 h THR 142 N 1.18 1.26 -0.10 0.00 1.35 -1.90 -1.03 112.91 113.67 3k96 h THR 142 Ca 0.31 -0.63 -0.15 0.00 -0.55 0.00 0.00 66.41 65.38 3k96 h THR 142 Cb -0.04 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.39 3k96 h THR 142 CO -0.06 0.29 -0.60 -0.33 -0.25 0.00 0.00 175.52 174.58 3k96 h GLU 143 N 1.27 0.33 -0.22 4.72 5.08 -1.88 -1.74 114.58 122.15 3k96 h GLU 143 Ca 0.32 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3k96 h GLU 143 Cb 0.02 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3k96 h GLU 143 CO -0.05 0.83 -0.01 0.28 -1.00 0.00 0.00 179.01 179.06 3k96 h VAL 144 N 0.25 1.26 -0.55 3.13 2.07 -1.19 -0.35 116.25 120.88 3k96 h VAL 144 Ca -0.00 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.63 3k96 h VAL 144 Cb 1.11 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 3k96 h VAL 144 CO 0.10 0.28 0.36 0.00 0.02 0.00 0.00 177.57 178.34 3k96 h ALA 145 N 0.78 1.73 0.00 1.67 0.00 -1.04 0.16 119.26 122.57 3k96 h ALA 145 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3k96 h ALA 145 Cb 0.43 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3k96 h ALA 145 CO 0.01 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.47 3k96 n ALA 146 N -2.47 2.58 -2.34 0.00 0.00 -0.67 -4.90 120.51 112.71 3k96 n ALA 146 Ca 0.06 -0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.19 3k96 n ALA 146 Cb 0.14 -1.49 -0.00 0.00 0.00 0.00 0.00 19.45 18.10 3k96 n ALA 146 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3k96 n ASN 147 N -1.10 -4.36 -4.81 0.00 5.15 0.57 -5.02 115.26 105.70 3k96 n ASN 147 Ca 0.20 -0.04 -0.34 0.00 -0.60 0.00 0.00 54.58 53.80 3k96 n ASN 147 Cb 0.15 -3.48 -0.07 0.00 -0.53 0.00 0.00 39.78 35.85 3k96 n ASN 147 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3k96 s LEU 148 N -4.12 4.05 0.12 1.20 1.43 -0.20 -4.90 118.68 116.26 3k96 s LEU 148 Ca 0.03 1.69 -0.34 0.00 -1.03 0.00 0.00 54.13 54.48 3k96 s LEU 148 Cb -0.01 -4.36 -0.14 0.00 0.03 0.00 0.00 46.19 41.70 3k96 s LEU 148 CO 0.04 -0.27 1.59 -2.65 0.23 0.00 0.00 176.35 175.29 3k96 n PRO 149 N -0.30 2.04 -3.91 1.29 -0.02 -1.26 -4.64 135.00 128.20 3k96 n PRO 149 Ca 0.05 0.74 -0.11 0.00 -2.02 0.00 0.00 63.50 62.16 3k96 n PRO 149 Cb 0.53 -2.50 -0.12 0.00 -0.02 0.00 0.00 33.50 31.39 3k96 n PRO 149 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3k96 s THR 150 N 1.28 0.06 -0.03 3.45 2.01 0.69 -5.03 115.64 118.07 3k96 s THR 150 Ca 0.81 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 62.36 3k96 s THR 150 Cb -0.71 -0.18 0.02 0.00 0.01 0.00 0.00 72.50 71.63 3k96 s THR 150 CO 0.41 -0.25 -0.04 0.00 -0.69 0.00 0.00 174.62 174.04 3k96 s ALA 151 N -0.77 0.57 0.11 7.40 0.00 -1.26 -1.02 121.76 126.79 3k96 s ALA 151 Ca -0.08 -0.04 0.02 0.00 0.00 0.00 0.00 51.96 51.85 3k96 s ALA 151 Cb -0.05 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 3k96 s ALA 151 CO -0.00 0.01 -0.05 0.14 0.00 0.00 0.00 175.76 175.86 3k96 s VAL 152 N 0.74 0.66 0.15 0.00 -7.23 -0.33 -3.94 120.40 110.44 3k96 s VAL 152 Ca -0.09 -1.94 0.01 0.00 -1.81 0.00 0.00 61.98 58.14 3k96 s VAL 152 Cb -0.12 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 3k96 s VAL 152 CO -0.00 -0.80 0.31 -0.44 -0.31 0.00 0.00 175.10 173.86 3k96 s SER 153 N -3.06 6.37 -0.12 4.85 0.01 0.25 -1.15 113.70 120.84 3k96 s SER 153 Ca 0.14 0.28 -0.03 0.00 1.31 0.00 0.00 55.95 57.66 3k96 s SER 153 Cb 0.06 -1.96 0.04 0.00 0.21 0.00 0.00 66.02 64.37 3k96 s SER 153 CO -0.03 0.05 0.04 -0.22 0.41 0.00 0.00 173.24 173.48 3k96 s LEU 154 N -3.08 0.67 -0.05 2.44 0.20 -0.12 -1.22 118.68 117.52 3k96 s LEU 154 Ca 0.36 -0.39 0.03 0.00 0.69 0.00 0.00 54.13 54.82 3k96 s LEU 154 Cb -0.11 -0.42 -0.03 0.00 -0.43 0.00 0.00 46.19 45.20 3k96 s LEU 154 CO 0.28 -0.26 -0.12 0.00 -0.29 0.00 0.00 176.35 175.95 3k96 s ALA 155 N 1.99 2.74 0.06 5.97 0.00 -0.32 -1.04 121.76 131.16 3k96 s ALA 155 Ca 0.03 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 3k96 s ALA 155 Cb -0.14 -1.03 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 3k96 s ALA 155 CO -0.07 0.56 0.09 0.45 0.00 0.00 0.00 175.76 176.80 3k96 s SER 156 N -0.76 0.24 0.00 0.00 0.15 -1.26 0.19 113.70 112.27 3k96 s SER 156 Ca 0.12 -0.69 0.21 0.00 0.70 0.00 0.00 55.95 56.29 3k96 s SER 156 Cb -0.11 0.26 0.55 0.00 -1.71 0.00 0.00 66.02 65.00 3k96 s SER 156 CO 0.01 -0.60 1.46 -0.46 1.20 0.00 0.00 173.24 174.85 3k96 n ASN 157 N 0.34 3.36 -3.67 5.45 6.94 -0.84 -4.82 115.26 122.02 3k96 n ASN 157 Ca -0.16 -1.98 -0.19 0.00 -0.02 0.00 0.00 54.58 52.23 3k96 n ASN 157 Cb 0.60 -0.35 -0.17 0.00 -2.36 0.00 0.00 39.78 37.49 3k96 n ASN 157 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3k96 s ASN 158 N -1.20 1.04 0.31 0.53 3.84 -1.26 -4.89 114.94 113.31 3k96 s ASN 158 Ca 0.41 0.14 0.00 0.00 0.21 0.00 0.00 52.86 53.63 3k96 s ASN 158 Cb 0.22 -0.04 0.49 0.00 -0.55 0.00 0.00 41.25 41.38 3k96 s ASN 158 CO 0.30 -0.25 1.91 0.28 -2.79 0.00 0.00 177.10 176.55 3k96 h SER 159 N 8.41 0.77 -0.05 -4.21 0.02 -1.97 -1.45 113.55 115.06 3k96 h SER 159 Ca -0.13 -0.08 -0.14 0.00 -0.84 0.00 0.00 61.79 60.60 3k96 h SER 159 Cb 1.12 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 3k96 h SER 159 CO 0.15 0.66 -0.44 -0.61 -1.14 0.00 0.00 176.83 175.45 3k96 h GLN 160 N 0.85 0.59 -0.23 3.45 5.75 -1.99 -2.34 115.11 121.19 3k96 h GLN 160 Ca 0.21 -0.32 -0.11 0.00 -0.15 0.00 0.00 58.65 58.28 3k96 h GLN 160 Cb 0.11 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.67 3k96 h GLN 160 CO -0.03 0.92 -0.29 0.35 -2.65 0.00 0.00 178.83 177.13 3k96 h PHE 161 N 0.48 0.73 -0.30 3.99 3.57 -1.86 -1.42 116.94 122.13 3k96 h PHE 161 Ca 0.03 -0.23 0.05 0.00 3.53 0.00 0.00 57.97 61.36 3k96 h PHE 161 Cb 0.96 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.50 3k96 h PHE 161 CO 0.04 0.95 -0.03 1.03 -2.23 0.00 0.00 178.31 178.07 3k96 h SER 162 N 0.29 -0.18 -0.28 0.41 0.87 -1.26 0.05 113.55 113.45 3k96 h SER 162 Ca 0.03 0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.70 3k96 h SER 162 Cb 0.86 0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.93 3k96 h SER 162 CO 0.07 -0.06 0.07 0.50 -0.53 0.00 0.00 176.83 176.88 3k96 h LYS 163 N 0.05 0.18 -0.58 2.24 3.64 -1.26 -0.74 116.57 120.10 3k96 h LYS 163 Ca 0.14 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 3k96 h LYS 163 Cb 0.20 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3k96 h LYS 163 CO -0.27 0.12 0.19 -0.44 -2.27 0.00 0.00 179.45 176.78 3k96 h ASP 164 N 0.19 0.84 -0.30 4.20 3.32 -0.88 -0.60 116.42 123.20 3k96 h ASP 164 Ca 0.13 -0.20 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 3k96 h ASP 164 Cb 0.12 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3k96 h ASP 164 CO -0.15 0.82 -0.06 -0.07 -1.72 0.00 0.00 179.24 178.06 3k96 h LEU 165 N 0.82 0.56 -0.62 1.55 3.38 -0.68 -1.76 115.31 118.56 3k96 h LEU 165 Ca 0.19 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3k96 h LEU 165 Cb 0.27 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3k96 h LEU 165 CO -0.01 0.78 0.28 0.40 0.09 0.00 0.00 178.44 179.99 3k96 h ILE 166 N 0.33 1.22 -0.79 1.22 2.04 -1.07 -0.51 117.51 119.96 3k96 h ILE 166 Ca 0.08 -0.66 0.06 0.00 1.00 0.00 0.00 64.86 65.34 3k96 h ILE 166 Cb 0.53 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 3k96 h ILE 166 CO 0.03 0.26 0.48 -0.08 0.00 0.00 0.00 178.15 178.84 3k96 h GLU 167 N 0.86 0.86 -0.45 2.37 4.81 -0.97 0.14 114.58 122.20 3k96 h GLU 167 Ca 0.21 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.25 3k96 h GLU 167 Cb 0.15 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3k96 h GLU 167 CO -0.02 0.57 -0.29 0.00 -0.73 0.00 0.00 179.01 178.54 3k96 h ARG 168 N 0.88 0.98 0.07 1.92 3.08 -0.57 -3.39 114.38 117.34 3k96 h ARG 168 Ca 0.34 -0.46 -0.37 0.00 0.07 0.00 0.00 59.98 59.56 3k96 h ARG 168 Cb 0.16 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 3k96 h ARG 168 CO -0.17 1.13 -2.19 1.28 -1.07 0.00 0.00 179.97 178.94 3k96 n LEU 169 N -4.09 2.75 -4.75 3.04 4.77 -0.27 -4.85 117.00 113.61 3k96 n LEU 169 Ca -0.01 0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.63 3k96 n LEU 169 Cb 0.50 -1.02 -0.01 0.00 -2.33 0.00 0.00 43.42 40.55 3k96 n LEU 169 CO 0.48 0.87 1.24 -2.28 -1.33 0.00 0.00 177.39 176.36 3k96 s HIS 170 N -2.54 2.73 0.06 -1.77 2.46 0.48 -4.81 115.29 111.90 3k96 s HIS 170 Ca -0.28 0.82 -0.27 0.00 0.47 0.00 0.00 55.06 55.80 3k96 s HIS 170 Cb 0.08 -4.07 0.09 0.00 -0.13 0.00 0.00 32.58 28.55 3k96 s HIS 170 CO 0.69 -3.54 1.19 0.20 -2.47 0.00 0.00 174.74 170.80 3k96 s GLY 171 N 0.43 -0.15 0.00 1.59 0.00 0.19 -4.93 107.32 104.45 3k96 s GLY 171 Ca 0.62 0.12 0.00 0.00 0.00 0.00 0.00 44.72 45.46 3k96 s GLY 171 CO 0.50 2.65 0.24 -1.06 0.00 0.00 0.00 173.10 175.43 3k96 n GLN 172 N -0.69 0.00 0.05 2.90 1.13 -1.26 -2.58 117.38 116.93 3k96 n GLN 172 Ca -0.03 0.24 0.11 0.00 -1.94 0.00 0.00 57.00 55.39 3k96 n GLN 172 Cb 0.60 -0.41 0.06 0.00 0.11 0.00 0.00 30.24 30.60 3k96 n GLN 172 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3k96 n ARG 173 N -1.45 0.35 -3.96 -1.09 5.12 -1.26 -4.67 116.66 109.69 3k96 n ARG 173 Ca 0.00 0.03 -0.33 0.00 -1.93 0.00 0.00 57.85 55.63 3k96 n ARG 173 Cb 0.00 -1.65 -0.14 0.00 -1.16 0.00 0.00 32.46 29.51 3k96 n ARG 173 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3k96 s PHE 174 N -3.22 3.60 -0.11 -1.55 5.36 -1.06 -0.22 117.98 120.77 3k96 s PHE 174 Ca 0.03 -2.66 -0.02 0.00 -0.96 0.00 0.00 56.93 53.33 3k96 s PHE 174 Cb 0.13 -2.76 -0.03 0.00 -0.34 0.00 0.00 43.02 40.03 3k96 s PHE 174 CO 0.78 -0.93 -0.04 1.03 -1.46 0.00 0.00 175.22 174.60 3k96 s ARG 175 N 1.02 3.23 -0.15 10.12 0.52 -0.19 -0.64 118.95 132.87 3k96 s ARG 175 Ca 0.06 -0.50 0.01 0.00 -0.52 0.00 0.00 55.73 54.78 3k96 s ARG 175 Cb -0.20 -2.79 0.02 0.00 0.52 0.00 0.00 34.95 32.49 3k96 s ARG 175 CO -0.06 0.48 -0.17 0.08 0.02 0.00 0.00 175.30 175.65 3k96 s VAL 176 N -0.30 1.76 -0.15 3.52 1.01 -1.26 -1.19 120.40 123.79 3k96 s VAL 176 Ca 0.05 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 3k96 s VAL 176 Cb -0.12 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 3k96 s VAL 176 CO 0.02 0.49 -0.08 -0.31 0.00 0.00 0.00 175.10 175.23 3k96 s TYR 177 N 1.28 2.94 0.34 5.22 2.02 -0.30 -4.90 117.35 123.94 3k96 s TYR 177 Ca 0.02 -0.44 -0.29 0.00 -0.37 0.00 0.00 57.07 55.99 3k96 s TYR 177 Cb -0.13 -1.91 -0.12 0.00 -0.40 0.00 0.00 41.96 39.40 3k96 s TYR 177 CO -0.09 -0.11 1.47 1.17 -1.57 0.00 0.00 175.55 176.42 3k96 n LYS 178 N 3.53 2.52 -3.84 -0.62 4.81 -1.26 -0.95 118.16 122.35 3k96 n LYS 178 Ca -0.18 0.89 -0.13 0.00 -0.87 0.00 0.00 58.31 58.02 3k96 n LYS 178 Cb 0.53 -2.59 -0.14 0.00 0.02 0.00 0.00 35.03 32.84 3k96 n LYS 178 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 3k96 s ASN 179 N 0.02 -0.02 0.00 3.14 3.84 -0.20 -4.80 114.94 116.91 3k96 s ASN 179 Ca 0.57 0.07 0.17 0.00 0.21 0.00 0.00 52.86 53.88 3k96 s ASN 179 Cb -0.51 0.05 0.48 0.00 -0.55 0.00 0.00 41.25 40.72 3k96 s ASN 179 CO 0.59 -0.03 1.40 -0.90 -2.79 0.00 0.00 177.10 175.36 3k96 n ASP 180 N 3.26 2.75 -3.50 -4.21 5.75 -1.26 -3.98 116.55 115.35 3k96 n ASP 180 Ca -0.15 -1.98 -0.27 0.00 -0.01 0.00 0.00 54.79 52.39 3k96 n ASP 180 Cb 0.58 -0.32 -0.09 0.00 -1.03 0.00 0.00 41.12 40.26 3k96 n ASP 180 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3k96 n ASP 181 N 1.00 2.31 -0.21 -1.12 2.03 -1.26 -4.93 116.55 114.38 3k96 n ASP 181 Ca 0.17 -3.10 -0.01 0.00 0.52 0.00 0.00 54.79 52.37 3k96 n ASP 181 Cb 0.44 -0.67 0.10 0.00 -0.72 0.00 0.00 41.12 40.27 3k96 n ASP 181 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 3k96 h MET 182 N 4.65 0.52 -0.65 -0.67 1.85 -1.88 -1.21 114.93 117.56 3k96 h MET 182 Ca 0.17 -0.03 -0.06 0.00 -0.61 0.00 0.00 59.70 59.17 3k96 h MET 182 Cb 0.76 -0.12 -0.03 0.00 0.43 0.00 0.00 31.60 32.65 3k96 h MET 182 CO 0.67 0.35 0.17 0.97 -0.40 0.00 0.00 176.91 178.67 3k96 h ILE 183 N 0.54 1.25 -0.49 1.77 2.10 -1.95 -0.81 117.51 119.92 3k96 h ILE 183 Ca 0.29 -0.92 -0.06 0.00 1.08 0.00 0.00 64.86 65.26 3k96 h ILE 183 Cb 0.26 0.62 -0.02 0.00 -1.09 0.00 0.00 36.82 36.59 3k96 h ILE 183 CO -0.23 0.35 0.09 1.23 -1.08 0.00 0.00 178.15 178.51 3k96 h GLY 184 N 0.95 0.87 1.00 8.18 0.00 -1.80 -1.36 103.07 110.91 3k96 h GLY 184 Ca 0.20 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3k96 h GLY 184 CO 0.00 0.53 0.33 -2.08 0.00 0.00 0.00 176.54 175.32 3k96 h VAL 185 N 0.69 1.14 -0.09 4.60 2.07 -0.94 -1.02 116.25 122.71 3k96 h VAL 185 Ca 0.15 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3k96 h VAL 185 Cb 0.37 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3k96 h VAL 185 CO 0.01 0.14 0.04 -0.33 0.02 0.00 0.00 177.57 177.45 3k96 h GLU 186 N 0.70 0.12 -0.47 1.57 5.08 -0.89 -2.04 114.58 118.66 3k96 h GLU 186 Ca 0.19 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 3k96 h GLU 186 Cb -0.06 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3k96 h GLU 186 CO -0.04 0.21 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.09 3k96 h LEU 187 N 0.01 0.75 -0.32 1.33 3.38 -1.09 -1.05 115.31 118.32 3k96 h LEU 187 Ca 0.03 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3k96 h LEU 187 Cb 0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3k96 h LEU 187 CO -0.00 0.82 0.19 0.00 0.09 0.00 0.00 178.44 179.54 3k96 h GLY 189 N 0.41 0.00 1.38 0.00 0.00 -1.02 -2.62 103.07 101.23 3k96 h GLY 189 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3k96 h GLY 189 CO -0.02 0.00 -0.15 -1.14 0.00 0.00 0.00 176.54 175.23 3k96 n SER 190 N -3.69 0.27 -0.02 0.19 3.41 -0.43 -3.89 113.62 109.46 3k96 n SER 190 Ca -0.02 -0.07 0.01 0.00 -0.26 0.00 0.00 58.87 58.54 3k96 n SER 190 Cb 0.28 -0.17 -0.08 0.00 -0.26 0.00 0.00 64.21 63.97 3k96 n SER 190 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3k96 n VAL 191 N -1.31 0.28 -0.20 -3.33 0.31 -1.02 -4.75 118.33 108.31 3k96 n VAL 191 Ca 0.10 -0.32 0.04 0.00 -0.01 0.00 0.00 64.34 64.15 3k96 n VAL 191 Cb 0.31 -0.14 0.31 0.00 -0.91 0.00 0.00 33.84 33.41 3k96 n VAL 191 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 3k96 h LYS 192 N 0.00 0.83 0.00 5.55 2.10 -1.59 -1.94 116.57 121.52 3k96 h LYS 192 Ca -0.11 -0.05 -0.08 0.00 -2.00 0.00 0.00 60.65 58.41 3k96 h LYS 192 Cb 0.95 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 32.08 3k96 h LYS 192 CO 0.01 0.55 -0.40 -0.91 -2.00 0.00 0.00 179.45 176.70 3k96 h ASN 193 N 0.86 0.00 -0.34 7.07 2.35 -1.85 -0.63 115.58 123.03 3k96 h ASN 193 Ca 0.31 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.99 3k96 h ASN 193 Cb 0.14 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 3k96 h ASN 193 CO -0.10 0.40 -0.04 0.40 -1.65 0.00 0.00 177.43 176.44 3k96 h ILE 194 N 0.00 1.27 -0.11 2.81 2.04 -1.63 -2.10 117.51 119.79 3k96 h ILE 194 Ca -0.00 -1.05 -0.09 0.00 1.00 0.00 0.00 64.86 64.71 3k96 h ILE 194 Cb 0.94 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 3k96 h ILE 194 CO 0.05 0.34 -0.35 -0.07 0.00 0.00 0.00 178.15 178.13 3k96 h LEU 195 N 0.42 0.23 -0.91 1.44 3.38 -1.11 -1.71 115.31 117.05 3k96 h LEU 195 Ca 0.09 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3k96 h LEU 195 Cb 0.52 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3k96 h LEU 195 CO 0.03 0.57 0.20 0.00 0.09 0.00 0.00 178.44 179.33 3k96 h ALA 196 N 1.44 1.12 -0.25 1.53 0.00 -0.95 0.12 119.26 122.28 3k96 h ALA 196 Ca 0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3k96 h ALA 196 Cb 0.72 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3k96 h ALA 196 CO 0.05 0.61 -0.02 0.82 0.00 0.00 0.00 179.25 180.71 3k96 h ILE 197 N 0.97 1.27 0.01 0.00 2.04 -0.89 0.18 117.51 121.08 3k96 h ILE 197 Ca 0.21 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 65.13 3k96 h ILE 197 Cb 0.28 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 3k96 h ILE 197 CO -0.01 0.30 -0.06 0.00 0.00 0.00 0.00 178.15 178.38 3k96 h ALA 198 N 0.79 -0.07 -0.01 1.87 0.00 -0.87 -0.02 119.26 120.96 3k96 h ALA 198 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3k96 h ALA 198 Cb 0.45 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3k96 h ALA 198 CO 0.02 -0.55 -0.40 1.79 0.00 0.00 0.00 179.25 180.10 3k96 h THR 199 N -0.11 1.29 -0.65 0.00 1.35 -0.78 -2.45 112.91 111.56 3k96 h THR 199 Ca 0.02 -1.39 -0.04 0.00 -0.55 0.00 0.00 66.41 64.46 3k96 h THR 199 Cb 0.13 1.73 -0.03 0.00 -1.73 0.00 0.00 68.15 68.26 3k96 h THR 199 CO -0.06 0.40 0.26 1.23 -0.25 0.00 0.00 175.52 177.10 3k96 h GLY 200 N 1.21 1.04 0.97 5.82 0.00 -0.27 -1.83 103.07 110.02 3k96 h GLY 200 Ca -0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 3k96 h GLY 200 CO 0.05 0.54 0.20 -2.22 0.00 0.00 0.00 176.54 175.11 3k96 h ILE 201 N 0.92 1.12 -0.62 2.60 2.04 -0.57 0.12 117.51 123.11 3k96 h ILE 201 Ca 0.22 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.82 3k96 h ILE 201 Cb 0.21 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 3k96 h ILE 201 CO -0.02 0.12 0.36 -1.28 0.00 0.00 0.00 178.15 177.33 3k96 h SER 202 N 0.44 0.56 -0.42 1.72 0.87 -1.31 -0.29 113.55 115.11 3k96 h SER 202 Ca 0.12 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.61 3k96 h SER 202 Cb 0.02 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 3k96 h SER 202 CO -0.02 0.38 -0.06 0.44 -0.53 0.00 0.00 176.83 177.04 3k96 h ASP 203 N 0.69 0.84 -0.21 6.23 3.32 -0.92 -0.83 116.42 125.54 3k96 h ASP 203 Ca 0.27 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 3k96 h ASP 203 Cb 0.10 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3k96 h ASP 203 CO -0.14 0.94 0.02 1.23 -1.72 0.00 0.00 179.24 179.57 3k96 h GLY 204 N 0.98 0.49 0.65 2.75 0.00 -0.10 0.27 103.07 108.11 3k96 h GLY 204 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3k96 h GLY 204 CO 0.03 0.25 -0.00 1.04 0.00 0.00 0.00 176.54 177.86 3k96 n LEU 205 N -4.32 0.36 -3.53 3.11 4.77 -0.18 -3.87 117.00 113.34 3k96 n LEU 205 Ca 0.01 -0.12 -0.25 0.00 -0.03 0.00 0.00 56.01 55.62 3k96 n LEU 205 Cb 0.21 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.35 3k96 n LEU 205 CO 0.38 0.06 0.14 0.29 -1.33 0.00 0.00 177.39 176.93 3k96 n LYS 206 N -0.72 -6.38 0.00 3.23 4.76 0.94 -4.86 118.16 115.13 3k96 n LYS 206 Ca 0.23 0.77 0.11 0.00 -2.87 0.00 0.00 58.31 56.55 3k96 n LYS 206 Cb 0.17 -5.72 0.55 0.00 -1.84 0.00 0.00 35.03 28.19 3k96 n LYS 206 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3k96 n LEU 207 N -4.63 0.00 0.00 -0.35 4.77 -0.41 -5.00 117.00 111.39 3k96 n LEU 207 Ca -0.01 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 3k96 n LEU 207 Cb 0.56 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3k96 n LEU 207 CO 0.63 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 3k96 n GLY 208 N 0.80 0.15 0.21 -0.72 0.00 -1.26 -4.41 105.19 99.96 3k96 n GLY 208 Ca 0.09 -1.81 -0.02 0.00 0.00 0.00 0.00 46.02 44.28 3k96 n GLY 208 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3k96 h SER 209 N 0.00 0.30 -0.18 1.61 0.02 -1.98 -2.38 113.55 110.93 3k96 h SER 209 Ca 0.00 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 3k96 h SER 209 Cb 0.00 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3k96 h SER 209 CO 0.00 0.64 0.06 0.78 -1.14 0.00 0.00 176.83 177.18 3k96 h ASN 210 N 0.25 0.26 -0.58 3.07 2.35 -2.00 -1.65 115.58 117.29 3k96 h ASN 210 Ca 0.03 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.55 3k96 h ASN 210 Cb 0.75 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.02 3k96 h ASN 210 CO 0.06 0.38 0.22 0.00 -1.65 0.00 0.00 177.43 176.44 3k96 h ALA 211 N 0.89 1.22 -0.55 -0.83 0.00 -1.75 -1.52 119.26 116.72 3k96 h ALA 211 Ca 0.06 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3k96 h ALA 211 Cb 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3k96 h ALA 211 CO -0.00 0.56 0.16 -0.09 0.00 0.00 0.00 179.25 179.87 3k96 h ARG 212 N 0.90 0.87 -0.69 0.00 2.43 -1.22 -1.02 114.38 115.64 3k96 h ARG 212 Ca 0.21 -0.19 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 3k96 h ARG 212 Cb 0.22 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 3k96 h ARG 212 CO -0.01 0.80 0.13 0.00 -1.51 0.00 0.00 179.97 179.38 3k96 h ALA 213 N 1.03 0.92 -0.74 2.80 0.00 -0.93 -0.13 119.26 122.22 3k96 h ALA 213 Ca 0.18 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3k96 h ALA 213 Cb 0.30 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3k96 h ALA 213 CO -0.00 0.67 0.34 0.00 0.00 0.00 0.00 179.25 180.26 3k96 h ALA 214 N 1.07 0.95 -0.32 0.00 0.00 -1.02 -0.91 119.26 119.04 3k96 h ALA 214 Ca 0.21 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3k96 h ALA 214 Cb 0.42 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3k96 h ALA 214 CO 0.01 0.53 -0.30 -0.07 0.00 0.00 0.00 179.25 179.42 3k96 h LEU 215 N 1.04 0.69 -0.58 0.00 3.38 -0.72 -1.05 115.31 118.06 3k96 h LEU 215 Ca 0.25 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3k96 h LEU 215 Cb 0.14 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3k96 h LEU 215 CO -0.03 0.95 0.20 0.40 0.09 0.00 0.00 178.44 180.05 3k96 h ILE 216 N 0.57 1.23 -0.34 1.22 2.04 -0.72 0.21 117.51 121.71 3k96 h ILE 216 Ca 0.07 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 3k96 h ILE 216 Cb 0.80 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 3k96 h ILE 216 CO 0.07 0.29 0.21 0.74 0.00 0.00 0.00 178.15 179.46 3k96 h THR 217 N 0.81 1.11 -0.35 -0.27 2.02 -0.97 -0.81 112.91 114.44 3k96 h THR 217 Ca 0.19 -0.26 -0.08 0.00 0.77 0.00 0.00 66.41 67.03 3k96 h THR 217 Cb 0.25 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 3k96 h THR 217 CO -0.01 0.11 -0.11 0.03 0.37 0.00 0.00 175.52 175.91 3k96 h ARG 218 N 0.45 0.62 -0.35 6.66 3.08 -0.94 -2.78 114.38 121.11 3k96 h ARG 218 Ca 0.12 -0.19 0.03 0.00 0.07 0.00 0.00 59.98 60.01 3k96 h ARG 218 Cb 0.00 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 3k96 h ARG 218 CO -0.02 0.72 0.18 0.78 -1.07 0.00 0.00 179.97 180.55 3k96 h GLY 219 N 0.96 0.48 1.39 0.04 0.00 0.09 -2.25 103.07 103.77 3k96 h GLY 219 Ca 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 3k96 h GLY 219 CO 0.03 0.09 0.28 -2.00 0.00 0.00 0.00 176.54 174.95 3k96 h LEU 220 N 0.36 0.72 -0.44 3.11 5.85 -0.95 -1.27 115.31 122.68 3k96 h LEU 220 Ca 0.15 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3k96 h LEU 220 Cb 0.06 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3k96 h LEU 220 CO -0.10 0.60 0.28 0.74 -0.34 0.00 0.00 178.44 179.62 3k96 h THR 221 N 0.80 1.08 0.00 1.05 2.02 -1.15 0.12 112.91 116.83 3k96 h THR 221 Ca 0.20 -0.19 -0.16 0.00 0.77 0.00 0.00 66.41 67.03 3k96 h THR 221 Cb 0.07 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 3k96 h THR 221 CO -0.03 0.10 -0.74 1.05 0.37 0.00 0.00 175.52 176.27 3k96 h GLU 222 N 0.56 0.00 -0.58 6.66 4.11 -1.13 -1.94 114.58 122.26 3k96 h GLU 222 Ca 0.17 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.59 3k96 h GLU 222 Cb -0.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3k96 h GLU 222 CO -0.06 0.74 0.32 1.98 0.07 0.00 0.00 179.01 182.06 3k96 h MET 223 N 0.00 0.82 -0.61 1.06 4.05 -0.96 -2.06 114.93 117.23 3k96 h MET 223 Ca -0.01 -0.10 -0.05 0.00 -0.28 0.00 0.00 59.70 59.27 3k96 h MET 223 Cb 1.33 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 31.94 3k96 h MET 223 CO 0.10 0.63 0.19 0.78 0.23 0.00 0.00 176.91 178.84 3k96 h GLY 224 N 0.79 0.98 0.90 1.39 0.00 -0.47 -1.25 103.07 105.41 3k96 h GLY 224 Ca 0.21 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 3k96 h GLY 224 CO -0.03 0.51 0.10 -0.09 0.00 0.00 0.00 176.54 177.03 3k96 h ARG 225 N 0.88 0.44 -0.21 4.80 2.43 -1.04 0.30 114.38 121.98 3k96 h ARG 225 Ca 0.20 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3k96 h ARG 225 Cb 0.25 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 3k96 h ARG 225 CO -0.01 0.48 0.12 1.25 -1.51 0.00 0.00 179.97 180.30 3k96 h LEU 226 N 0.31 0.27 -0.36 3.80 5.85 -1.12 -1.03 115.31 123.03 3k96 h LEU 226 Ca 0.09 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.75 3k96 h LEU 226 Cb 0.22 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3k96 h LEU 226 CO -0.00 0.28 0.17 0.58 -0.34 0.00 0.00 178.44 179.13 3k96 h VAL 227 N 0.24 0.97 -0.54 1.05 2.07 -1.06 -2.67 116.25 116.31 3k96 h VAL 227 Ca 0.08 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3k96 h VAL 227 Cb 0.07 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3k96 h VAL 227 CO -0.01 0.06 0.35 -1.28 0.02 0.00 0.00 177.57 176.72 3k96 h SER 228 N 0.35 0.62 0.15 0.57 0.87 -0.11 -0.29 113.55 115.71 3k96 h SER 228 Ca 0.15 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 3k96 h SER 228 Cb 0.07 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 3k96 h SER 228 CO -0.11 0.45 -0.12 0.58 -0.53 0.00 0.00 176.83 177.10 3k96 h VAL 229 N 0.73 0.98 -0.55 2.23 2.07 -1.01 -2.25 116.25 118.45 3k96 h VAL 229 Ca 0.20 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3k96 h VAL 229 Cb -0.08 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3k96 h VAL 229 CO -0.04 0.12 0.00 0.49 0.02 0.00 0.00 177.57 178.16 3k96 n PHE 230 N -4.24 0.73 -0.72 1.57 3.01 -0.84 -4.96 117.46 112.01 3k96 n PHE 230 Ca -0.03 -0.37 0.00 0.00 1.01 0.00 0.00 57.45 58.07 3k96 n PHE 230 Cb 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 3k96 n PHE 230 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3k96 n GLY 231 N 1.48 0.62 3.66 1.37 0.00 -0.85 -4.97 105.19 106.51 3k96 n GLY 231 Ca 0.20 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3k96 n GLY 231 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k96 s GLY 232 N -2.14 1.64 0.08 -0.02 0.00 -0.18 -4.89 107.32 101.81 3k96 s GLY 232 Ca 0.00 -1.14 0.07 0.00 0.00 0.00 0.00 44.72 43.65 3k96 s GLY 232 CO 0.00 -0.22 -0.13 0.54 0.00 0.00 0.00 173.10 173.29 3k96 s LYS 233 N -5.62 2.08 0.36 2.90 -0.14 -1.26 -4.60 119.74 113.46 3k96 s LYS 233 Ca 0.73 -1.02 0.10 0.00 -1.36 0.00 0.00 55.97 54.42 3k96 s LYS 233 Cb -0.06 -2.25 0.70 0.00 -1.68 0.00 0.00 37.83 34.53 3k96 s LYS 233 CO 0.55 0.52 1.85 -0.56 -0.76 0.00 0.00 175.35 176.95 3k96 h GLN 234 N 3.96 0.18 0.00 1.68 3.07 -1.97 -1.79 115.11 120.24 3k96 h GLN 234 Ca -0.49 -0.06 -0.00 0.00 0.09 0.00 0.00 58.65 58.19 3k96 h GLN 234 Cb 1.16 -0.02 -0.00 0.00 0.08 0.00 0.00 27.48 28.71 3k96 h GLN 234 CO 0.50 0.43 -0.01 1.49 0.09 0.00 0.00 178.83 181.32 3k96 h GLU 235 N 0.17 0.00 -0.09 0.06 4.81 -1.98 0.52 114.58 118.07 3k96 h GLU 235 Ca 0.03 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.02 3k96 h GLU 235 Cb 0.53 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.93 3k96 h GLU 235 CO 0.04 0.01 -0.88 1.15 -0.73 0.00 0.00 179.01 178.60 3k96 h THR 236 N 0.00 1.29 -1.01 0.32 2.02 -1.73 -2.84 112.91 110.96 3k96 h THR 236 Ca -0.00 -2.10 0.03 0.00 0.77 0.00 0.00 66.41 65.11 3k96 h THR 236 Cb 0.03 2.15 -0.06 0.00 -1.74 0.00 0.00 68.15 68.53 3k96 h THR 236 CO 0.00 0.66 0.66 0.25 0.37 0.00 0.00 175.52 177.46 3k96 h LEU 237 N 0.47 1.11 -1.43 2.58 5.85 -0.80 -1.60 115.31 121.50 3k96 h LEU 237 Ca -0.08 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3k96 h LEU 237 Cb 1.52 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3k96 h LEU 237 CO 0.18 0.77 0.00 0.35 -0.34 0.00 0.00 178.44 179.40 3k96 n THR 238 N -4.42 0.30 -2.23 1.05 -2.24 -0.75 -0.71 114.28 105.28 3k96 n THR 238 Ca 0.13 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3k96 n THR 238 Cb 0.07 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3k96 n THR 238 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k96 n GLY 239 N 1.22 1.42 0.38 3.38 0.00 -0.61 -4.63 105.19 106.34 3k96 n GLY 239 Ca 0.17 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.17 3k96 n GLY 239 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k96 h LEU 240 N 0.00 1.09 -0.43 0.99 3.38 -1.89 -1.44 115.31 117.02 3k96 h LEU 240 Ca 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3k96 h LEU 240 Cb 0.00 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 3k96 h LEU 240 CO 0.00 0.75 -0.14 0.00 0.09 0.00 0.00 178.44 179.14 3k96 h ALA 241 N 1.42 0.94 -3.00 1.53 0.00 -1.77 -0.46 119.26 117.91 3k96 h ALA 241 Ca 0.40 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3k96 h ALA 241 Cb -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3k96 h ALA 241 CO -0.12 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.71 3k96 n GLY 242 N 0.79 -0.06 0.28 0.00 0.00 -1.01 -4.27 105.19 100.92 3k96 n GLY 242 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 3k96 n GLY 242 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k96 h LEU 243 N 0.00 -0.31 0.58 0.99 5.85 -0.29 -1.07 115.31 121.06 3k96 h LEU 243 Ca 0.00 0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3k96 h LEU 243 Cb 0.00 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3k96 h LEU 243 CO 0.00 -0.18 -0.43 1.23 -0.34 0.00 0.00 178.44 178.72 3k96 h GLY 244 N 0.11 -1.11 1.59 3.75 0.00 -1.26 -0.58 103.07 105.57 3k96 h GLY 244 Ca 0.44 0.49 -0.04 0.00 0.00 0.00 0.00 47.33 48.21 3k96 h GLY 244 CO -0.67 -0.38 0.03 -1.80 0.00 0.00 0.00 176.54 173.72 3k96 h ASP 245 N -0.98 0.48 -0.17 0.19 3.58 -0.87 -2.53 116.42 116.11 3k96 h ASP 245 Ca -0.07 -0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.26 3k96 h ASP 245 Cb 0.82 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.74 3k96 h ASP 245 CO 0.02 0.53 -0.04 0.25 -2.88 0.00 0.00 179.24 177.12 3k96 h LEU 246 N 0.50 0.33 -0.71 2.28 5.85 -0.89 -1.20 115.31 121.47 3k96 h LEU 246 Ca 0.11 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 3k96 h LEU 246 Cb 0.28 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3k96 h LEU 246 CO 0.01 0.62 0.35 1.62 -0.34 0.00 0.00 178.44 180.69 3k96 h VAL 247 N 0.04 1.23 0.05 1.05 3.04 -0.98 -0.59 116.25 120.09 3k96 h VAL 247 Ca 0.04 -0.64 -0.00 0.00 -1.01 0.00 0.00 66.70 65.09 3k96 h VAL 247 Cb 0.47 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.10 3k96 h VAL 247 CO 0.02 0.27 -0.03 0.25 -1.01 0.00 0.00 177.57 177.07 3k96 h LEU 248 N 0.99 -0.06 -0.69 3.16 5.85 -1.40 -2.80 115.31 120.36 3k96 h LEU 248 Ca 0.24 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.84 3k96 h LEU 248 Cb 0.11 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3k96 h LEU 248 CO -0.03 -0.04 -0.59 0.74 -0.34 0.00 0.00 178.44 178.18 3k96 h THR 249 N -0.08 1.31 -0.00 1.05 2.02 -1.00 -2.03 112.91 114.17 3k96 h THR 249 Ca -0.01 -2.12 0.00 0.00 0.77 0.00 0.00 66.41 65.06 3k96 h THR 249 Cb 0.06 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 3k96 h THR 249 CO 0.01 0.58 -0.14 0.00 0.37 0.00 0.00 175.52 176.34 3k96 n THR 251 N -1.49 0.00 -3.66 0.00 -2.24 -1.06 -4.81 114.28 101.02 3k96 n THR 251 Ca 0.07 -0.44 -0.34 0.00 -2.27 0.00 0.00 64.05 61.07 3k96 n THR 251 Cb 0.34 1.05 -0.05 0.00 -2.10 0.00 0.00 70.33 69.56 3k96 n THR 251 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3k96 s ASP 252 N -0.55 6.56 0.43 3.42 2.15 -0.78 -4.97 116.67 122.93 3k96 s ASP 252 Ca 0.00 0.67 0.16 0.00 0.43 0.00 0.00 52.55 53.82 3k96 s ASP 252 Cb 0.00 -2.13 0.95 0.00 -0.30 0.00 0.00 42.92 41.44 3k96 s ASP 252 CO 0.00 0.17 1.92 -1.13 -0.17 0.00 0.00 175.17 175.97 3k96 h ASN 253 N 3.61 0.00 0.84 -0.34 -0.73 -1.94 -3.04 115.58 113.97 3k96 h ASN 253 Ca -0.49 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.68 3k96 h ASN 253 Cb 1.19 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.78 3k96 h ASN 253 CO 0.68 0.26 0.00 0.00 -0.37 0.00 0.00 177.43 178.00 3k96 n GLN 254 N -4.05 0.12 -2.47 6.67 1.13 -1.26 -4.68 117.38 112.83 3k96 n GLN 254 Ca -0.02 0.27 -0.43 0.00 -1.94 0.00 0.00 57.00 54.88 3k96 n GLN 254 Cb 0.32 -1.69 -0.02 0.00 0.11 0.00 0.00 30.24 28.96 3k96 n GLN 254 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3k96 s SER 255 N -3.72 6.51 0.41 1.08 0.15 -1.15 -4.88 113.70 112.10 3k96 s SER 255 Ca 0.08 0.71 0.12 0.00 0.70 0.00 0.00 55.95 57.56 3k96 s SER 255 Cb 0.11 -2.54 0.87 0.00 -1.71 0.00 0.00 66.02 62.75 3k96 s SER 255 CO 0.41 -1.31 1.94 0.03 1.20 0.00 0.00 173.24 175.51 3k96 h ARG 256 N 9.87 0.10 -0.16 5.44 3.08 -1.91 -1.15 114.38 129.66 3k96 h ARG 256 Ca -0.25 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 59.63 3k96 h ARG 256 Cb 1.08 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 3k96 h ARG 256 CO 1.10 0.29 -0.52 -0.91 -1.07 0.00 0.00 179.97 178.86 3k96 h ASN 257 N 0.09 0.50 -0.17 7.04 2.35 -1.92 -0.39 115.58 123.08 3k96 h ASN 257 Ca 0.02 -0.26 -0.16 0.00 -0.55 0.00 0.00 56.30 55.35 3k96 h ASN 257 Cb 0.39 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3k96 h ASN 257 CO 0.03 0.93 -0.48 -0.09 -1.65 0.00 0.00 177.43 176.17 3k96 h ARG 258 N 0.35 0.74 -0.19 0.81 2.43 -1.60 -1.92 114.38 115.01 3k96 h ARG 258 Ca 0.01 -0.43 -0.13 0.00 -0.81 0.00 0.00 59.98 58.63 3k96 h ARG 258 Cb 1.03 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 3k96 h ARG 258 CO 0.09 1.05 -0.43 0.00 -1.51 0.00 0.00 179.97 179.18 3k96 h ARG 259 N 0.58 0.45 0.02 0.20 3.08 -0.97 0.66 114.38 118.41 3k96 h ARG 259 Ca 0.03 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 3k96 h ARG 259 Cb 1.04 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3k96 h ARG 259 CO 0.10 0.80 -0.01 0.35 -1.07 0.00 0.00 179.97 180.14 3k96 h PHE 260 N 0.37 -0.02 -0.77 3.04 3.57 -0.99 -1.19 116.94 120.95 3k96 h PHE 260 Ca 0.03 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.58 3k96 h PHE 260 Cb 0.90 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.60 3k96 h PHE 260 CO 0.03 0.00 0.46 0.78 -2.23 0.00 0.00 178.31 177.36 3k96 h GLY 261 N -0.04 1.13 0.55 2.40 0.00 -0.84 -1.85 103.07 104.43 3k96 h GLY 261 Ca -0.00 -0.34 0.06 0.00 0.00 0.00 0.00 47.33 47.05 3k96 h GLY 261 CO 0.00 0.24 0.13 1.41 0.00 0.00 0.00 176.54 178.33 3k96 h LEU 262 N 0.86 0.12 -0.43 3.11 3.38 -0.56 0.11 115.31 121.90 3k96 h LEU 262 Ca 0.33 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.37 3k96 h LEU 262 Cb 0.14 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3k96 h LEU 262 CO -0.16 0.10 0.26 0.00 0.09 0.00 0.00 178.44 178.73 3k96 h ALA 263 N 1.30 0.55 -0.75 1.53 0.00 -0.69 -1.11 119.26 120.09 3k96 h ALA 263 Ca 0.21 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3k96 h ALA 263 Cb 0.22 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3k96 h ALA 263 CO -0.23 -0.05 0.46 -0.07 0.00 0.00 0.00 179.25 179.36 3k96 h LEU 264 N 0.54 0.90 -1.50 0.00 3.38 -0.58 -1.19 115.31 116.86 3k96 h LEU 264 Ca 0.17 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3k96 h LEU 264 Cb -0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3k96 h LEU 264 CO -0.07 0.69 -0.16 1.23 0.09 0.00 0.00 178.44 180.23 3k96 h GLY 265 N 1.03 0.14 1.93 0.83 0.00 -0.56 -1.85 103.07 104.58 3k96 h GLY 265 Ca 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3k96 h GLY 265 CO -0.05 0.08 0.00 1.18 0.00 0.00 0.00 176.54 177.75 3k96 n GLU 266 N -4.29 0.06 0.00 4.80 1.02 -0.46 -3.87 120.64 117.91 3k96 n GLU 266 Ca -0.01 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3k96 n GLU 266 Cb 0.26 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 3k96 n GLU 266 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k96 n GLY 267 N 1.18 0.73 3.77 0.62 0.00 -0.69 -5.08 105.19 105.72 3k96 n GLY 267 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3k96 n GLY 267 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k96 s VAL 268 N -2.00 3.31 0.42 1.61 1.01 -0.52 -4.99 120.40 119.24 3k96 s VAL 268 Ca 0.00 1.24 -0.23 0.00 0.00 0.00 0.00 61.98 62.98 3k96 s VAL 268 Cb 0.00 -3.75 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 3k96 s VAL 268 CO 0.00 0.23 1.05 -0.62 0.00 0.00 0.00 175.10 175.77 3k96 s ASP 269 N -0.94 6.66 0.44 3.32 2.15 -1.26 -4.21 116.67 122.83 3k96 s ASP 269 Ca 0.49 2.03 0.18 0.00 0.43 0.00 0.00 52.55 55.68 3k96 s ASP 269 Cb -0.32 -2.58 1.11 0.00 -0.30 0.00 0.00 42.92 40.83 3k96 s ASP 269 CO 0.41 -0.56 1.92 0.07 -0.17 0.00 0.00 175.17 176.84 3k96 h LYS 270 N 2.33 0.34 0.12 4.34 2.10 -1.97 -0.90 116.57 122.93 3k96 h LYS 270 Ca -0.49 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.14 3k96 h LYS 270 Cb 1.22 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 3k96 h LYS 270 CO 0.62 0.23 -0.06 -0.22 -2.00 0.00 0.00 179.45 178.01 3k96 h LYS 271 N 0.35 -0.16 -0.50 0.07 3.64 -2.00 -2.37 116.57 115.62 3k96 h LYS 271 Ca 0.37 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.71 3k96 h LYS 271 Cb 0.94 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 3k96 h LYS 271 CO -0.11 0.21 0.08 1.49 -2.27 0.00 0.00 179.45 178.86 3k96 h GLU 272 N -0.56 0.77 -0.75 1.90 4.81 -1.83 -1.33 114.58 117.59 3k96 h GLU 272 Ca -0.02 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 3k96 h GLU 272 Cb 0.44 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 3k96 h GLU 272 CO 0.03 0.73 0.38 0.00 -0.73 0.00 0.00 179.01 179.41 3k96 h ALA 273 N 1.35 0.97 -0.10 2.92 0.00 -1.13 -0.25 119.26 123.02 3k96 h ALA 273 Ca 0.16 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 3k96 h ALA 273 Cb 0.33 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3k96 h ALA 273 CO 0.00 0.52 -0.74 1.96 0.00 0.00 0.00 179.25 180.99 3k96 h GLN 274 N 1.05 0.51 -0.71 0.00 4.20 -1.19 -2.70 115.11 116.27 3k96 h GLN 274 Ca 0.26 -0.41 -0.04 0.00 0.06 0.00 0.00 58.65 58.52 3k96 h GLN 274 Cb 0.09 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 3k96 h GLN 274 CO -0.04 1.04 0.30 1.96 -0.67 0.00 0.00 178.83 181.42 3k96 h GLN 275 N 0.35 1.05 -0.56 1.46 4.20 -0.79 -1.27 115.11 119.55 3k96 h GLN 275 Ca -0.04 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.49 3k96 h GLN 275 Cb 1.33 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.91 3k96 h GLN 275 CO 0.13 0.86 0.36 0.00 -0.67 0.00 0.00 178.83 179.52 3k96 h ALA 276 N 1.14 0.71 -0.48 3.87 0.00 -1.05 -2.20 119.26 121.26 3k96 h ALA 276 Ca 0.24 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3k96 h ALA 276 Cb 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3k96 h ALA 276 CO -0.02 0.16 0.15 0.82 0.00 0.00 0.00 179.25 180.36 3k96 h ILE 277 N 0.76 1.20 0.00 0.00 2.04 -1.15 -3.47 117.51 116.88 3k96 h ILE 277 Ca 0.20 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.40 3k96 h ILE 277 Cb -0.07 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3k96 h ILE 277 CO -0.04 0.25 0.00 0.61 0.00 0.00 0.00 178.15 178.97 3k96 n GLY 278 N -1.02 1.79 3.77 5.37 0.00 -0.51 -4.96 105.19 109.63 3k96 n GLY 278 Ca 0.03 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 3k96 n GLY 278 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3k96 s GLN 279 N 0.00 4.13 0.31 1.61 -2.07 -1.26 -4.84 119.66 117.54 3k96 s GLN 279 Ca 0.00 2.06 -0.27 0.00 -1.82 0.00 0.00 55.36 55.33 3k96 s GLN 279 Cb 0.00 -2.84 -0.14 0.00 -1.09 0.00 0.00 33.01 28.94 3k96 s GLN 279 CO 0.00 -0.32 0.96 0.00 -1.32 0.00 0.00 175.29 174.61 3k96 n ALA 280 N 0.35 -0.33 -2.58 2.60 0.00 -1.26 -5.02 120.51 114.28 3k96 n ALA 280 Ca 0.03 0.35 -0.23 0.00 0.00 0.00 0.00 53.44 53.59 3k96 n ALA 280 Cb 0.44 -2.00 -0.07 0.00 0.00 0.00 0.00 19.45 17.82 3k96 n ALA 280 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3k96 s ILE 281 N -1.11 3.15 -0.20 0.00 -4.36 -1.26 -5.06 121.20 112.36 3k96 s ILE 281 Ca 0.60 -1.83 0.20 0.00 -0.26 0.00 0.00 60.65 59.36 3k96 s ILE 281 Cb -0.68 -2.90 -0.29 0.00 1.25 0.00 0.00 42.46 39.84 3k96 s ILE 281 CO 0.59 -0.27 0.52 -0.62 0.24 0.00 0.00 174.94 175.40 3k96 n GLU 282 N -1.01 0.59 -0.37 0.37 1.02 -1.26 -4.61 120.64 115.38 3k96 n GLU 282 Ca -0.05 -0.15 0.06 0.00 -0.02 0.00 0.00 57.16 57.00 3k96 n GLU 282 Cb 0.60 -1.47 0.22 0.00 -0.02 0.00 0.00 31.44 30.77 3k96 n GLU 282 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3k96 h GLY 283 N 3.88 1.61 0.78 0.62 0.00 -1.97 0.18 103.07 108.17 3k96 h GLY 283 Ca 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 3k96 h GLY 283 CO 0.00 0.22 -0.01 1.41 0.00 0.00 0.00 176.54 178.16 3k96 h LEU 284 N 1.06 0.28 -0.25 3.11 4.07 -1.93 -0.14 115.31 121.52 3k96 h LEU 284 Ca 0.48 -0.33 0.01 0.00 0.08 0.00 0.00 57.88 58.12 3k96 h LEU 284 Cb 0.38 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.03 3k96 h LEU 284 CO -0.24 0.54 0.14 0.22 -1.08 0.00 0.00 178.44 178.02 3k96 h TYR 285 N 0.02 0.26 -0.63 1.13 3.20 -1.71 -1.13 116.97 118.10 3k96 h TYR 285 Ca 0.04 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.00 3k96 h TYR 285 Cb 0.40 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.53 3k96 h TYR 285 CO 0.04 0.15 0.29 -0.91 -1.64 0.00 0.00 178.16 176.09 3k96 h ASN 286 N 0.29 0.37 -0.29 -2.11 -0.26 -0.55 -1.00 115.58 112.02 3k96 h ASN 286 Ca 0.10 0.06 0.01 0.00 -0.56 0.00 0.00 56.30 55.90 3k96 h ASN 286 Cb 0.01 -0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.25 3k96 h ASN 286 CO -0.06 0.23 0.17 0.74 -1.06 0.00 0.00 177.43 177.45 3k96 h THR 287 N 0.52 1.05 -0.72 2.81 2.02 -0.47 -1.03 112.91 117.09 3k96 h THR 287 Ca 0.30 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.32 3k96 h THR 287 Cb 0.30 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 3k96 h THR 287 CO -0.25 0.07 0.30 0.44 0.37 0.00 0.00 175.52 176.44 3k96 h ASP 288 N 0.36 0.98 -0.23 4.18 3.32 -0.75 0.40 116.42 124.68 3k96 h ASP 288 Ca 0.11 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 56.86 3k96 h ASP 288 Cb -0.02 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.28 3k96 h ASP 288 CO -0.04 0.88 -0.37 1.56 -1.72 0.00 0.00 179.24 179.55 3k96 h GLN 289 N 1.02 0.65 -0.35 3.56 1.08 -0.94 -2.29 115.11 117.85 3k96 h GLN 289 Ca 0.24 -0.40 -0.15 0.00 -1.45 0.00 0.00 58.65 56.89 3k96 h GLN 289 Cb 0.20 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 3k96 h GLN 289 CO -0.02 1.01 -0.39 0.28 -0.95 0.00 0.00 178.83 178.76 3k96 h VAL 290 N 0.36 1.28 -0.45 -0.54 2.07 -1.13 -1.65 116.25 116.19 3k96 h VAL 290 Ca 0.02 -1.56 0.02 0.00 0.82 0.00 0.00 66.70 65.99 3k96 h VAL 290 Cb 0.96 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 3k96 h VAL 290 CO 0.08 0.51 0.27 -0.74 0.02 0.00 0.00 177.57 177.72 3k96 h HIS 291 N 0.68 0.51 -0.80 1.57 -0.00 -0.89 0.33 115.15 116.55 3k96 h HIS 291 Ca 0.06 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.41 3k96 h HIS 291 Cb 0.96 -0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 28.16 3k96 h HIS 291 CO 0.05 0.30 0.38 0.00 -0.00 0.00 0.00 177.93 178.66 3k96 h ALA 292 N 1.19 1.03 -0.33 5.26 0.00 -1.24 -1.26 119.26 123.92 3k96 h ALA 292 Ca 0.18 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3k96 h ALA 292 Cb -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3k96 h ALA 292 CO -0.07 0.60 -0.06 1.25 0.00 0.00 0.00 179.25 180.97 3k96 h LEU 293 N 1.13 0.63 -0.71 0.00 5.85 -0.54 -1.05 115.31 120.62 3k96 h LEU 293 Ca 0.27 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.67 3k96 h LEU 293 Cb 0.13 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3k96 h LEU 293 CO -0.03 0.83 0.46 0.00 -0.34 0.00 0.00 178.44 179.36 3k96 h ALA 294 N 0.82 0.93 -0.18 1.25 0.00 -0.10 -2.29 119.26 119.68 3k96 h ALA 294 Ca 0.09 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 3k96 h ALA 294 Cb 0.55 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3k96 h ALA 294 CO 0.03 0.26 -0.46 1.96 0.00 0.00 0.00 179.25 181.03 3k96 h GLN 295 N 0.90 0.46 -0.92 0.00 4.20 -1.09 0.33 115.11 118.99 3k96 h GLN 295 Ca 0.28 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3k96 h GLN 295 Cb -0.02 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 3k96 h GLN 295 CO -0.09 0.83 0.55 -0.22 -0.67 0.00 0.00 178.83 179.22 3k96 h LYS 296 N 0.37 1.26 -0.53 1.46 3.64 -0.66 -2.83 116.57 119.27 3k96 h LYS 296 Ca 0.02 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3k96 h LYS 296 Cb 0.96 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3k96 h LYS 296 CO 0.08 0.89 0.00 0.72 -2.27 0.00 0.00 179.45 178.87 3k96 n HIS 297 N -4.37 1.48 -3.84 1.91 8.25 -0.91 -4.97 115.22 112.77 3k96 n HIS 297 Ca 0.10 -0.69 -0.28 0.00 -0.26 0.00 0.00 57.72 56.60 3k96 n HIS 297 Cb 0.06 -0.32 0.01 0.00 1.12 0.00 0.00 29.99 30.87 3k96 n HIS 297 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k96 n ALA 298 N 0.64 -2.23 -2.94 -1.41 0.00 -0.30 -4.96 120.51 109.31 3k96 n ALA 298 Ca 0.24 -0.26 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 3k96 n ALA 298 Cb 0.94 -2.52 -0.11 0.00 0.00 0.00 0.00 19.45 17.76 3k96 n ALA 298 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3k96 s ILE 299 N -3.74 4.40 -0.24 0.00 1.01 0.10 -5.02 121.20 117.72 3k96 s ILE 299 Ca 0.19 -0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.39 3k96 s ILE 299 Cb -0.07 -3.00 0.01 0.00 0.01 0.00 0.00 42.46 39.40 3k96 s ILE 299 CO 0.88 0.42 1.06 -0.70 0.00 0.00 0.00 174.94 176.59 3k96 s GLU 300 N 0.87 4.23 -0.39 2.79 2.12 -1.26 -4.61 118.70 122.46 3k96 s GLU 300 Ca 0.03 1.34 0.03 0.00 0.36 0.00 0.00 54.97 56.72 3k96 s GLU 300 Cb -0.14 -3.66 0.16 0.00 0.26 0.00 0.00 34.13 30.75 3k96 s GLU 300 CO 0.02 -0.67 0.32 -1.64 -0.54 0.00 0.00 175.26 172.75 3k96 s MET 301 N 3.28 0.74 0.18 4.30 -1.94 -1.26 -4.89 119.30 119.71 3k96 s MET 301 Ca 0.45 -1.61 -0.13 0.00 -1.71 0.00 0.00 55.69 52.69 3k96 s MET 301 Cb -0.15 -1.21 0.09 0.00 2.01 0.00 0.00 34.83 35.57 3k96 s MET 301 CO 0.08 -1.30 1.84 -1.35 -0.01 0.00 0.00 175.02 174.28 3k96 h PRO 302 N 6.29 0.69 -0.33 2.03 0.11 -1.97 -1.31 132.00 137.52 3k96 h PRO 302 Ca 0.15 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 3k96 h PRO 302 Cb 0.96 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 3k96 h PRO 302 CO 0.29 0.46 0.11 -0.07 -0.21 0.00 0.00 178.00 178.58 3k96 h LEU 303 N 0.71 0.48 -0.88 2.35 4.07 -1.96 -1.60 115.31 118.48 3k96 h LEU 303 Ca 0.21 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 3k96 h LEU 303 Cb -0.05 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 41.52 3k96 h LEU 303 CO -0.06 0.55 0.52 0.74 -1.08 0.00 0.00 178.44 179.10 3k96 h THR 304 N 0.38 1.25 -0.45 0.22 2.02 -1.90 -0.90 112.91 113.54 3k96 h THR 304 Ca 0.11 -0.56 -0.11 0.00 0.77 0.00 0.00 66.41 66.61 3k96 h THR 304 Cb 0.24 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 3k96 h THR 304 CO -0.00 0.26 -0.16 -0.26 0.37 0.00 0.00 175.52 175.73 3k96 h PHE 305 N 1.22 0.96 -0.43 3.16 0.05 -1.11 -1.73 116.94 119.06 3k96 h PHE 305 Ca 0.31 -0.20 -0.12 0.00 3.82 0.00 0.00 57.97 61.78 3k96 h PHE 305 Cb -0.03 -0.24 -0.01 0.00 2.00 0.00 0.00 35.95 37.68 3k96 h PHE 305 CO 0.00 0.95 -0.20 0.37 -0.18 0.00 0.00 178.31 179.25 3k96 h GLN 306 N 0.76 0.89 -0.56 1.51 5.75 -0.81 -1.36 115.11 121.29 3k96 h GLN 306 Ca 0.11 -0.39 -0.00 0.00 -0.15 0.00 0.00 58.65 58.23 3k96 h GLN 306 Cb 0.69 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.18 3k96 h GLN 306 CO 0.05 1.04 0.35 0.28 -2.65 0.00 0.00 178.83 177.90 3k96 h VAL 307 N 0.72 1.16 -0.86 2.39 2.07 -1.06 -0.61 116.25 120.07 3k96 h VAL 307 Ca 0.10 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.31 3k96 h VAL 307 Cb 0.77 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 3k96 h VAL 307 CO 0.06 0.17 0.54 -0.74 0.02 0.00 0.00 177.57 177.62 3k96 h HIS 308 N 0.76 1.02 -0.32 1.57 -0.00 -1.03 -0.94 115.15 116.21 3k96 h HIS 308 Ca 0.20 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.51 3k96 h HIS 308 Cb -0.03 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.03 3k96 h HIS 308 CO -0.03 0.56 -0.20 0.00 -0.00 0.00 0.00 177.93 178.26 3k96 h ARG 309 N 1.03 0.60 -0.71 5.26 3.08 -0.65 0.42 114.38 123.41 3k96 h ARG 309 Ca 0.36 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 3k96 h ARG 309 Cb 0.07 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 3k96 h ARG 309 CO -0.14 0.76 0.20 0.82 -1.07 0.00 0.00 179.97 180.55 3k96 h ILE 310 N 0.53 1.26 0.04 2.04 2.04 -0.30 0.11 117.51 123.24 3k96 h ILE 310 Ca 0.08 -0.92 -0.27 0.00 1.00 0.00 0.00 64.86 64.75 3k96 h ILE 310 Cb 0.64 0.51 0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3k96 h ILE 310 CO 0.05 0.36 -1.08 -0.07 0.00 0.00 0.00 178.15 177.41 3k96 h LEU 311 N 1.05 0.87 0.00 1.44 3.38 -0.87 -3.36 115.31 117.82 3k96 h LEU 311 Ca 0.23 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.42 3k96 h LEU 311 Cb 0.33 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3k96 h LEU 311 CO -0.00 1.54 -0.34 1.41 0.09 0.00 0.00 178.44 181.14 3k96 n HIS 312 N -3.87 0.00 -0.76 1.13 8.25 0.11 -4.66 115.22 115.42 3k96 n HIS 312 Ca -0.12 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.40 3k96 n HIS 312 Cb 0.90 -0.01 0.08 0.00 1.12 0.00 0.00 29.99 32.09 3k96 n HIS 312 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3k96 n GLU 313 N -1.17 1.75 -1.91 -0.41 1.02 0.37 -4.98 120.64 115.30 3k96 n GLU 313 Ca 0.01 -2.08 -0.20 0.00 -0.02 0.00 0.00 57.16 54.88 3k96 n GLU 313 Cb 0.10 -1.25 -0.05 0.00 -0.02 0.00 0.00 31.44 30.22 3k96 n GLU 313 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3k96 n ASP 314 N -1.01 -5.42 -4.70 1.62 2.03 -1.11 -4.92 116.55 103.05 3k96 n ASP 314 Ca 0.09 0.29 -0.42 0.00 0.52 0.00 0.00 54.79 55.28 3k96 n ASP 314 Cb 0.51 -4.68 -0.03 0.00 -0.72 0.00 0.00 41.12 36.20 3k96 n ASP 314 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3k96 s LEU 315 N -5.18 4.38 0.16 -2.67 2.96 -1.04 -4.93 118.68 112.36 3k96 s LEU 315 Ca 0.00 2.68 -0.31 0.00 -0.22 0.00 0.00 54.13 56.28 3k96 s LEU 315 Cb 0.00 -3.57 -0.11 0.00 0.50 0.00 0.00 46.19 43.01 3k96 s LEU 315 CO 0.00 -0.94 1.76 -0.62 -1.32 0.00 0.00 176.35 175.23 3k96 s ASP 316 N 2.17 6.42 0.17 3.68 2.15 -1.26 -4.54 116.67 125.46 3k96 s ASP 316 Ca 0.76 2.79 -0.14 0.00 0.43 0.00 0.00 52.55 56.39 3k96 s ASP 316 Cb -0.45 -2.58 0.12 0.00 -0.30 0.00 0.00 42.92 39.72 3k96 s ASP 316 CO 0.34 -0.97 1.75 -0.65 -0.17 0.00 0.00 175.17 175.47 3k96 h PRO 317 N 7.71 0.32 -0.17 4.34 0.11 -1.91 -0.10 132.00 142.30 3k96 h PRO 317 Ca -0.44 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.66 3k96 h PRO 317 Cb 1.21 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3k96 h PRO 317 CO 0.95 0.21 0.09 0.37 -0.21 0.00 0.00 178.00 179.41 3k96 h GLN 318 N 0.33 0.19 -0.87 1.05 4.15 -1.91 -1.23 115.11 116.82 3k96 h GLN 318 Ca 0.21 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.63 3k96 h GLN 318 Cb 0.20 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.80 3k96 h GLN 318 CO -0.21 0.12 0.58 0.37 -1.93 0.00 0.00 178.83 177.76 3k96 h GLN 319 N 0.19 1.15 -0.42 1.69 4.15 -1.88 -1.13 115.11 118.86 3k96 h GLN 319 Ca 0.07 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3k96 h GLN 319 Cb 0.01 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.42 3k96 h GLN 319 CO -0.04 0.76 0.27 0.00 -1.93 0.00 0.00 178.83 177.89 3k96 h ALA 320 N 1.32 0.54 -0.05 3.38 0.00 -0.43 -0.77 119.26 123.25 3k96 h ALA 320 Ca 0.32 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 3k96 h ALA 320 Cb -0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3k96 h ALA 320 CO -0.07 0.01 -0.67 0.28 0.00 0.00 0.00 179.25 178.80 3k96 h VAL 321 N 0.56 1.41 -0.62 0.00 2.07 -1.01 -2.36 116.25 116.31 3k96 h VAL 321 Ca 0.15 -2.14 -0.02 0.00 0.82 0.00 0.00 66.70 65.52 3k96 h VAL 321 Cb -0.03 2.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 3k96 h VAL 321 CO -0.03 0.63 0.32 -0.61 0.02 0.00 0.00 177.57 177.90 3k96 h GLN 322 N 0.17 0.88 -0.61 1.57 4.15 -0.89 -0.36 115.11 120.01 3k96 h GLN 322 Ca -0.02 -0.12 -0.06 0.00 0.77 0.00 0.00 58.65 59.22 3k96 h GLN 322 Cb 1.21 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.71 3k96 h GLN 322 CO 0.10 0.69 0.12 0.93 -1.93 0.00 0.00 178.83 178.74 3k96 h GLU 323 N 0.85 0.96 -0.28 1.69 5.08 -0.97 0.37 114.58 122.28 3k96 h GLU 323 Ca 0.22 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3k96 h GLU 323 Cb 0.08 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3k96 h GLU 323 CO -0.03 0.87 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.71 3k96 h LEU 324 N 0.91 0.56 -0.36 1.33 3.38 -0.94 -3.27 115.31 116.92 3k96 h LEU 324 Ca 0.19 -0.37 -0.19 0.00 0.09 0.00 0.00 57.88 57.60 3k96 h LEU 324 Cb 0.37 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3k96 h LEU 324 CO 0.00 0.80 -0.70 -0.07 0.09 0.00 0.00 178.44 178.56 3k96 h LEU 325 N 0.31 0.64 -6.14 1.67 3.38 -0.91 -3.35 115.31 110.91 3k96 h LEU 325 Ca 0.07 -0.40 -0.74 0.00 0.09 0.00 0.00 57.88 56.90 3k96 h LEU 325 Cb 0.56 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 41.01 3k96 h LEU 325 CO 0.03 1.16 2.48 -0.62 0.09 0.00 0.00 178.44 181.57 3k96 n GLU 326 N -3.89 3.53 -3.20 1.13 1.02 0.11 -4.93 120.64 114.41 3k96 n GLU 326 Ca -0.05 -3.19 -0.26 0.00 -0.02 0.00 0.00 57.16 53.64 3k96 n GLU 326 Cb 0.69 -2.98 -0.01 0.00 -0.02 0.00 0.00 31.44 29.12 3k96 n GLU 326 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3k96 s ARG 327 N 1.06 3.53 0.00 3.49 3.52 -1.26 -4.91 118.95 124.38 3k96 s ARG 327 Ca 0.45 -0.13 0.24 0.00 -0.13 0.00 0.00 55.73 56.16 3k96 s ARG 327 Cb 0.12 -2.59 0.24 0.00 -1.56 0.00 0.00 34.95 31.16 3k96 s ARG 327 CO -0.04 0.08 1.29 0.43 -0.81 0.00 0.00 175.30 176.25