#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q96 s ILE 3 N 0.00 2.01 -0.04 0.00 1.09 -1.26 -4.79 121.20 118.22 2q96 s ILE 3 Ca 0.00 -1.54 -0.21 0.00 -1.10 0.00 0.00 60.65 57.80 2q96 s ILE 3 Cb 0.00 -1.77 -0.05 0.00 -1.06 0.00 0.00 42.46 39.58 2q96 s ILE 3 CO 0.00 0.13 0.61 -0.55 -0.10 0.00 0.00 174.94 175.03 2q96 s SER 4 N -1.71 6.94 -0.35 3.58 0.15 -1.26 -5.05 113.70 116.00 2q96 s SER 4 Ca 0.11 1.12 -0.11 0.00 0.70 0.00 0.00 55.95 57.77 2q96 s SER 4 Cb -0.10 -2.37 0.01 0.00 -1.71 0.00 0.00 66.02 61.86 2q96 s SER 4 CO 0.04 0.03 0.20 -0.63 1.20 0.00 0.00 173.24 174.08 2q96 s ILE 5 N 0.18 4.72 0.32 6.45 -1.09 -1.26 -4.35 121.20 126.16 2q96 s ILE 5 Ca 0.32 -0.62 -0.28 0.00 -2.23 0.00 0.00 60.65 57.83 2q96 s ILE 5 Cb -0.18 -3.53 -0.09 0.00 -1.58 0.00 0.00 42.46 37.08 2q96 s ILE 5 CO 0.16 -0.11 1.14 -0.54 -1.23 0.00 0.00 174.94 174.36 2q96 s LYS 6 N 1.60 4.45 0.70 2.79 3.01 -0.19 -4.97 119.74 127.14 2q96 s LYS 6 Ca 0.04 1.85 -0.11 0.00 -1.01 0.00 0.00 55.97 56.74 2q96 s LYS 6 Cb -0.18 -3.03 0.01 0.00 -1.01 0.00 0.00 37.83 33.63 2q96 s LYS 6 CO 0.07 0.03 1.06 0.95 0.51 0.00 0.00 175.35 177.98 2q96 s THR 7 N -1.25 3.92 0.33 2.17 -4.23 -1.26 -4.77 115.64 110.55 2q96 s THR 7 Ca 0.48 0.62 0.07 0.00 -1.18 0.00 0.00 61.69 61.68 2q96 s THR 7 Cb -0.32 -3.42 0.31 0.00 1.34 0.00 0.00 72.50 70.41 2q96 s THR 7 CO 0.41 -0.81 1.86 -0.65 -0.54 0.00 0.00 174.62 174.89 2q96 h PRO 8 N -0.72 0.76 -0.53 3.99 0.11 -1.99 0.79 132.00 134.41 2q96 h PRO 8 Ca -0.44 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 2q96 h PRO 8 Cb 1.22 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 2q96 h PRO 8 CO 0.59 0.50 -0.01 1.49 -0.21 0.00 0.00 178.00 180.36 2q96 h GLU 9 N 0.78 0.94 -0.28 1.05 4.81 -2.00 -1.99 114.58 117.90 2q96 h GLU 9 Ca 0.46 -0.30 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 2q96 h GLU 9 Cb 0.64 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2q96 h GLU 9 CO -0.22 0.96 -0.26 -0.44 -0.73 0.00 0.00 179.01 178.31 2q96 h ASP 10 N 0.81 0.55 -0.76 1.04 3.32 -1.50 -2.35 116.42 117.53 2q96 h ASP 10 Ca 0.15 -0.19 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 2q96 h ASP 10 Cb 0.54 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 2q96 h ASP 10 CO 0.03 0.79 0.25 0.40 -1.72 0.00 0.00 179.24 179.00 2q96 h ILE 11 N 0.47 1.26 -0.62 0.35 2.04 -0.63 0.40 117.51 120.78 2q96 h ILE 11 Ca 0.07 -0.89 -0.06 0.00 1.00 0.00 0.00 64.86 64.98 2q96 h ILE 11 Cb 0.70 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 2q96 h ILE 11 CO 0.05 0.36 0.16 -0.08 0.00 0.00 0.00 178.15 178.64 2q96 h GLU 12 N 1.12 0.97 -0.29 2.37 4.57 -1.09 0.12 114.58 122.35 2q96 h GLU 12 Ca 0.25 -0.21 -0.08 0.00 -1.18 0.00 0.00 59.36 58.14 2q96 h GLU 12 Cb 0.29 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 2q96 h GLU 12 CO -0.01 0.85 -0.17 0.87 -1.18 0.00 0.00 179.01 179.37 2q96 h LYS 13 N 0.93 0.51 -0.03 1.92 1.57 -0.87 -1.74 116.57 118.85 2q96 h LYS 13 Ca 0.20 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 2q96 h LYS 13 Cb 0.32 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2q96 h LYS 13 CO -0.00 0.66 -0.50 0.52 -0.57 0.00 0.00 179.45 179.56 2q96 h MET 14 N 0.46 0.09 -0.51 3.15 2.86 0.11 -1.73 114.93 119.36 2q96 h MET 14 Ca 0.08 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.58 2q96 h MET 14 Cb 0.57 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 2q96 h MET 14 CO 0.04 0.58 -0.03 0.00 1.06 0.00 0.00 176.91 178.56 2q96 h ARG 15 N 0.07 0.92 -0.01 1.72 3.08 0.01 0.17 114.38 120.34 2q96 h ARG 15 Ca -0.00 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 2q96 h ARG 15 Cb 0.92 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.89 2q96 h ARG 15 CO 0.07 0.96 0.00 0.28 -1.07 0.00 0.00 179.97 180.21 2q96 h VAL 16 N 0.79 1.14 -0.63 2.04 2.07 -1.10 -0.39 116.25 120.18 2q96 h VAL 16 Ca 0.14 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 2q96 h VAL 16 Cb 0.56 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 2q96 h VAL 16 CO 0.03 0.11 0.11 0.00 0.02 0.00 0.00 177.57 177.84 2q96 h ALA 17 N 0.82 1.01 -0.61 1.67 0.00 -1.26 -1.77 119.26 119.13 2q96 h ALA 17 Ca 0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 2q96 h ALA 17 Cb 0.18 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2q96 h ALA 17 CO -0.00 0.63 0.04 0.78 0.00 0.00 0.00 179.25 180.70 2q96 h GLY 18 N 1.04 1.14 0.98 0.00 0.00 -0.56 -1.86 103.07 103.81 2q96 h GLY 18 Ca 0.19 -0.81 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 2q96 h GLY 18 CO 0.01 0.74 0.20 -0.09 0.00 0.00 0.00 176.54 177.40 2q96 h ARG 19 N 0.96 0.78 -0.54 4.80 2.43 -0.79 -1.74 114.38 120.28 2q96 h ARG 19 Ca 0.18 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2q96 h ARG 19 Cb 0.51 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 2q96 h ARG 19 CO 0.02 0.69 0.31 -0.07 -1.51 0.00 0.00 179.97 179.42 2q96 h LEU 20 N 0.70 0.66 -0.50 3.80 3.38 -1.12 0.38 115.31 122.61 2q96 h LEU 20 Ca 0.17 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2q96 h LEU 20 Cb 0.21 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2q96 h LEU 20 CO -0.01 0.55 0.32 0.00 0.09 0.00 0.00 178.44 179.38 2q96 h ALA 21 N 1.14 0.63 -0.73 1.53 0.00 -1.13 -1.86 119.26 118.84 2q96 h ALA 21 Ca 0.19 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2q96 h ALA 21 Cb 0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2q96 h ALA 21 CO -0.03 0.09 0.28 0.00 0.00 0.00 0.00 179.25 179.59 2q96 h ALA 22 N 1.17 1.11 0.00 0.00 0.00 -0.98 -2.55 119.26 118.01 2q96 h ALA 22 Ca 0.18 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2q96 h ALA 22 Cb -0.06 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 2q96 h ALA 22 CO -0.04 0.63 -0.15 0.93 0.00 0.00 0.00 179.25 180.62 2q96 h GLU 23 N 1.07 0.00 -0.49 0.00 5.08 -0.39 -1.87 114.58 117.98 2q96 h GLU 23 Ca 0.24 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.50 2q96 h GLU 23 Cb 0.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2q96 h GLU 23 CO -0.02 0.15 -0.09 0.28 -1.00 0.00 0.00 179.01 178.33 2q96 h VAL 24 N 0.00 1.27 -0.43 3.13 2.07 -0.92 -0.35 116.25 121.03 2q96 h VAL 24 Ca -0.00 -1.21 -0.10 0.00 0.82 0.00 0.00 66.70 66.20 2q96 h VAL 24 Cb 0.50 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2q96 h VAL 24 CO 0.02 0.42 -0.15 -0.07 0.02 0.00 0.00 177.57 177.81 2q96 h LEU 25 N 0.77 0.81 -0.89 2.57 3.38 -1.37 -1.10 115.31 119.48 2q96 h LEU 25 Ca 0.13 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 2q96 h LEU 25 Cb 0.64 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2q96 h LEU 25 CO 0.04 0.97 -0.51 -0.33 0.09 0.00 0.00 178.44 178.70 2q96 h GLU 26 N 0.72 0.10 -0.12 1.13 5.08 -1.18 -2.95 114.58 117.36 2q96 h GLU 26 Ca 0.11 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.23 2q96 h GLU 26 Cb 0.66 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.92 2q96 h GLU 26 CO 0.05 0.59 -0.65 1.98 -1.00 0.00 0.00 179.01 179.97 2q96 h MET 27 N 0.08 0.65 0.00 2.33 4.05 -0.72 -3.30 114.93 118.02 2q96 h MET 27 Ca -0.00 -0.54 -0.06 0.00 -0.28 0.00 0.00 59.70 58.81 2q96 h MET 27 Cb 0.94 0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.84 2q96 h MET 27 CO 0.07 1.16 -0.31 0.97 0.23 0.00 0.00 176.91 179.03 2q96 h ILE 28 N 0.32 0.70 -0.80 1.77 6.09 -1.19 -3.37 117.51 121.03 2q96 h ILE 28 Ca -0.05 -1.39 0.11 0.00 -1.37 0.00 0.00 64.86 62.16 2q96 h ILE 28 Cb 1.29 1.90 -0.12 0.00 0.47 0.00 0.00 36.82 40.37 2q96 h ILE 28 CO 0.13 0.30 -0.37 1.21 -3.07 0.00 0.00 178.15 176.36 2q96 n GLU 29 N -3.42 -0.24 0.28 2.19 4.07 -1.12 -0.45 120.64 121.95 2q96 n GLU 29 Ca 0.00 1.23 0.19 0.00 -0.06 0.00 0.00 57.16 58.52 2q96 n GLU 29 Cb 0.49 -1.82 0.99 0.00 -0.06 0.00 0.00 31.44 31.04 2q96 n GLU 29 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 2q96 h PRO 30 N 0.00 0.00 0.00 5.31 0.11 -1.83 -2.25 132.00 133.34 2q96 h PRO 30 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 2q96 h PRO 30 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.54 2q96 h PRO 30 CO -0.78 0.00 -0.69 0.66 -0.21 0.00 0.00 178.00 176.97 2q96 n TYR 31 N -2.82 0.20 -2.53 0.65 4.02 0.41 -4.66 117.16 112.43 2q96 n TYR 31 Ca -0.02 0.06 -0.41 0.00 -0.01 0.00 0.00 57.90 57.51 2q96 n TYR 31 Cb 0.08 -0.38 -0.01 0.00 -0.02 0.00 0.00 39.34 39.01 2q96 n TYR 31 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2q96 s VAL 32 N -3.09 4.04 0.19 -0.72 1.01 -0.85 -4.85 120.40 116.14 2q96 s VAL 32 Ca 0.08 -1.71 0.07 0.00 0.00 0.00 0.00 61.98 60.42 2q96 s VAL 32 Cb 0.16 -5.12 -0.05 0.00 0.00 0.00 0.00 36.38 31.37 2q96 s VAL 32 CO 0.74 -1.92 -0.14 -0.54 0.00 0.00 0.00 175.10 173.24 2q96 s LYS 33 N 4.53 1.28 0.34 2.72 -0.14 -1.26 -4.72 119.74 122.48 2q96 s LYS 33 Ca 0.55 -1.56 -0.29 0.00 -1.36 0.00 0.00 55.97 53.31 2q96 s LYS 33 Cb 0.03 -1.04 -0.12 0.00 -1.68 0.00 0.00 37.83 35.03 2q96 s LYS 33 CO 0.07 0.17 1.47 -2.30 -0.76 0.00 0.00 175.35 173.99 2q96 n PRO 34 N -0.34 2.53 0.00 -1.68 -0.02 -1.26 -2.17 135.00 132.06 2q96 n PRO 34 Ca -0.08 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 2q96 n PRO 34 Cb 0.60 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2q96 n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2q96 n GLY 35 N 1.02 3.35 3.79 -1.23 0.00 0.16 -4.96 105.19 107.33 2q96 n GLY 35 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 2q96 n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q96 s VAL 36 N -2.45 3.99 0.23 1.61 0.11 -0.92 -4.70 120.40 118.28 2q96 s VAL 36 Ca 0.00 1.46 -0.07 0.00 -2.93 0.00 0.00 61.98 60.43 2q96 s VAL 36 Cb 0.00 -3.72 -0.06 0.00 -1.53 0.00 0.00 36.38 31.07 2q96 s VAL 36 CO 0.00 -0.06 0.52 -0.94 -3.33 0.00 0.00 175.10 171.30 2q96 s SER 37 N -1.75 6.55 0.43 3.54 1.04 -1.26 -0.85 113.70 121.40 2q96 s SER 37 Ca 0.58 0.81 0.22 0.00 0.48 0.00 0.00 55.95 58.03 2q96 s SER 37 Cb -0.18 -2.18 0.95 0.00 0.10 0.00 0.00 66.02 64.71 2q96 s SER 37 CO 0.23 -0.09 1.86 0.71 0.98 0.00 0.00 173.24 176.93 2q96 h THR 38 N 1.83 0.75 -0.51 2.02 1.35 -1.21 -2.36 112.91 114.77 2q96 h THR 38 Ca -0.47 -1.13 -0.05 0.00 -0.55 0.00 0.00 66.41 64.21 2q96 h THR 38 Cb 1.17 1.70 -0.02 0.00 -1.73 0.00 0.00 68.15 69.28 2q96 h THR 38 CO 0.69 0.26 0.11 1.23 -0.25 0.00 0.00 175.52 177.56 2q96 h GLY 39 N 1.64 0.89 0.99 5.82 0.00 -1.56 -1.48 103.07 109.38 2q96 h GLY 39 Ca -0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 46.71 2q96 h GLY 39 CO 0.03 0.53 0.17 -2.09 0.00 0.00 0.00 176.54 175.19 2q96 h GLU 40 N 0.71 0.88 -0.96 4.80 4.57 -1.74 -1.86 114.58 120.99 2q96 h GLU 40 Ca 0.16 -0.19 0.01 0.00 -1.18 0.00 0.00 59.36 58.15 2q96 h GLU 40 Cb 0.36 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.78 2q96 h GLU 40 CO 0.00 0.80 0.62 -0.07 -1.18 0.00 0.00 179.01 179.18 2q96 h LEU 41 N 0.79 1.12 -0.60 1.64 3.38 -1.21 -1.44 115.31 118.98 2q96 h LEU 41 Ca 0.18 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 2q96 h LEU 41 Cb 0.29 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2q96 h LEU 41 CO -0.00 0.82 0.10 -0.78 0.09 0.00 0.00 178.44 178.67 2q96 h ASP 42 N 1.31 0.96 -0.55 -0.43 3.58 -0.95 -1.51 116.42 118.83 2q96 h ASP 42 Ca 0.35 -0.26 -0.08 0.00 0.42 0.00 0.00 57.03 57.46 2q96 h ASP 42 Cb -0.12 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.65 2q96 h ASP 42 CO -0.07 0.97 0.03 0.03 -2.88 0.00 0.00 179.24 177.32 2q96 h ARG 43 N 0.90 0.99 -0.52 0.28 3.08 -0.90 -0.26 114.38 117.95 2q96 h ARG 43 Ca 0.18 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 2q96 h ARG 43 Cb 0.42 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2q96 h ARG 43 CO 0.01 0.95 0.21 0.82 -1.07 0.00 0.00 179.97 180.90 2q96 h ILE 44 N 0.91 1.21 -0.33 2.04 2.04 -1.05 -1.02 117.51 121.31 2q96 h ILE 44 Ca 0.17 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 2q96 h ILE 44 Cb 0.50 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2q96 h ILE 44 CO 0.02 0.25 0.09 0.00 0.00 0.00 0.00 178.15 178.51 2q96 h ASN 46 N 0.37 0.64 -1.00 0.00 -0.73 -0.88 -0.13 115.58 113.85 2q96 h ASN 46 Ca 0.10 -0.21 0.02 0.00 1.87 0.00 0.00 56.30 58.08 2q96 h ASN 46 Cb 0.28 -0.17 -0.05 0.00 0.27 0.00 0.00 38.32 38.65 2q96 h ASN 46 CO -0.00 0.68 0.66 0.44 -0.37 0.00 0.00 177.43 178.84 2q96 h ASP 47 N 0.56 1.12 -0.06 1.15 3.32 -1.14 0.35 116.42 121.72 2q96 h ASP 47 Ca 0.14 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2q96 h ASP 47 Cb 0.28 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 2q96 h ASP 47 CO -0.00 0.79 0.01 0.22 -1.72 0.00 0.00 179.24 178.54 2q96 h TYR 48 N 1.31 0.10 -0.34 4.55 3.20 -0.96 0.30 116.97 125.13 2q96 h TYR 48 Ca 0.38 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.25 2q96 h TYR 48 Cb -0.08 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 2q96 h TYR 48 CO -0.00 0.31 0.19 0.82 -1.64 0.00 0.00 178.16 177.84 2q96 h ILE 49 N -0.14 1.02 0.09 1.81 2.04 -0.68 -1.02 117.51 120.63 2q96 h ILE 49 Ca 0.02 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 2q96 h ILE 49 Cb 0.26 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 2q96 h ILE 49 CO 0.00 0.07 -0.04 0.58 0.00 0.00 0.00 178.15 178.76 2q96 h VAL 50 N 0.39 0.96 0.01 1.67 2.07 -0.89 -0.60 116.25 119.87 2q96 h VAL 50 Ca 0.14 -1.43 -0.22 0.00 0.82 0.00 0.00 66.70 66.02 2q96 h VAL 50 Cb 0.02 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 2q96 h VAL 50 CO -0.07 0.28 -1.02 0.78 0.02 0.00 0.00 177.57 177.56 2q96 h ASN 51 N -0.91 0.03 0.00 0.57 2.35 -0.50 -3.14 115.58 113.98 2q96 h ASN 51 Ca -0.01 -0.03 -0.34 0.00 -0.55 0.00 0.00 56.30 55.37 2q96 h ASN 51 Cb 0.55 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.86 2q96 h ASN 51 CO 0.02 1.03 -2.21 -0.62 -1.65 0.00 0.00 177.43 174.00 2q96 n GLU 52 N -3.36 0.50 0.13 0.81 1.02 -0.66 -4.56 120.64 114.51 2q96 n GLU 52 Ca -0.01 0.16 0.12 0.00 -0.02 0.00 0.00 57.16 57.41 2q96 n GLU 52 Cb 0.95 -1.36 0.25 0.00 -0.02 0.00 0.00 31.44 31.25 2q96 n GLU 52 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2q96 h GLN 53 N -0.33 0.00 -6.05 3.49 4.20 -1.21 -3.47 115.11 111.73 2q96 h GLN 53 Ca -0.51 0.00 -0.42 0.00 0.06 0.00 0.00 58.65 57.78 2q96 h GLN 53 Cb 1.62 0.00 0.06 0.00 0.30 0.00 0.00 27.48 29.46 2q96 h GLN 53 CO -0.19 0.00 -0.76 0.72 -0.67 0.00 0.00 178.83 177.93 2q96 n HIS 54 N -2.53 -2.32 -4.15 2.96 8.25 -0.84 -4.98 115.22 111.62 2q96 n HIS 54 Ca 0.04 0.92 -0.07 0.00 -0.26 0.00 0.00 57.72 58.35 2q96 n HIS 54 Cb 0.47 -4.49 -0.02 0.00 1.12 0.00 0.00 29.99 27.08 2q96 n HIS 54 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2q96 n ALA 55 N -4.57 0.11 -2.75 -1.41 0.00 -0.29 -4.96 120.51 106.64 2q96 n ALA 55 Ca -0.11 -0.50 -0.16 0.00 0.00 0.00 0.00 53.44 52.67 2q96 n ALA 55 Cb 0.60 0.30 -0.14 0.00 0.00 0.00 0.00 19.45 20.21 2q96 n ALA 55 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2q96 s VAL 56 N -1.63 0.57 0.01 0.00 1.01 -0.93 -4.07 120.40 115.36 2q96 s VAL 56 Ca 0.02 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 2q96 s VAL 56 Cb 0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 2q96 s VAL 56 CO 0.01 0.03 1.05 -0.55 0.00 0.00 0.00 175.10 175.65 2q96 s SER 57 N -0.51 7.26 0.00 3.32 0.15 -1.26 -0.07 113.70 122.60 2q96 s SER 57 Ca 0.00 1.76 0.27 0.00 0.70 0.00 0.00 55.95 58.68 2q96 s SER 57 Cb -0.04 -2.57 1.21 0.00 -1.71 0.00 0.00 66.02 62.91 2q96 s SER 57 CO -0.00 -0.35 1.89 0.00 1.20 0.00 0.00 173.24 175.98 2q96 n ALA 58 N 4.05 2.27 0.06 5.45 0.00 -0.19 -3.52 120.51 128.63 2q96 n ALA 58 Ca 0.07 -0.10 -0.17 0.00 0.00 0.00 0.00 53.44 53.24 2q96 n ALA 58 Cb 0.49 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 18.36 2q96 n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2q96 s LEU 60 N -6.97 4.00 0.00 0.00 2.96 -1.08 -1.45 118.68 116.15 2q96 s LEU 60 Ca -0.10 2.34 0.00 0.00 -0.22 0.00 0.00 54.13 56.15 2q96 s LEU 60 Cb 0.07 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.24 2q96 s LEU 60 CO 0.85 -1.45 0.00 0.61 -1.32 0.00 0.00 176.35 175.04 2q96 n GLY 61 N 5.08 2.04 3.58 7.98 0.00 0.13 -4.97 105.19 119.03 2q96 n GLY 61 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2q96 n GLY 61 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2q96 n TYR 62 N -2.00 1.82 -2.26 1.61 9.36 -0.53 -1.04 117.16 124.12 2q96 n TYR 62 Ca 0.00 -0.05 -0.18 0.00 3.32 0.00 0.00 57.90 60.99 2q96 n TYR 62 Cb 0.00 -2.70 -0.02 0.00 -0.63 0.00 0.00 39.34 35.99 2q96 n TYR 62 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2q96 n HIS 63 N 12.57 -0.99 -0.35 2.98 8.25 -1.26 -1.23 115.22 135.18 2q96 n HIS 63 Ca 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 2q96 n HIS 63 Cb 0.46 -3.44 0.00 0.00 1.12 0.00 0.00 29.99 28.13 2q96 n HIS 63 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2q96 n GLY 64 N -0.83 0.77 3.67 -1.41 0.00 -0.21 -5.03 105.19 102.15 2q96 n GLY 64 Ca -0.20 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.36 2q96 n GLY 64 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2q96 n TYR 65 N -2.00 2.30 0.76 1.61 9.36 -0.37 -4.74 117.16 124.08 2q96 n TYR 65 Ca 0.00 0.23 0.13 0.00 3.32 0.00 0.00 57.90 61.58 2q96 n TYR 65 Cb 0.00 -2.56 0.40 0.00 -0.63 0.00 0.00 39.34 36.55 2q96 n TYR 65 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2q96 n PRO 66 N 3.78 0.17 -4.08 2.98 -0.04 -1.26 0.23 135.00 136.76 2q96 n PRO 66 Ca 0.17 0.11 -0.27 0.00 -0.04 0.00 0.00 63.50 63.47 2q96 n PRO 66 Cb 0.29 -1.66 -0.03 0.00 -0.04 0.00 0.00 33.50 32.06 2q96 n PRO 66 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2q96 s LYS 67 N -3.08 2.25 0.01 0.54 -0.14 -1.26 -4.86 119.74 113.20 2q96 s LYS 67 Ca 0.11 -2.08 0.20 0.00 -1.36 0.00 0.00 55.97 52.84 2q96 s LYS 67 Cb 0.15 -1.97 -0.21 0.00 -1.68 0.00 0.00 37.83 34.12 2q96 s LYS 67 CO 0.62 -0.52 0.60 0.43 -0.76 0.00 0.00 175.35 175.72 2q96 n SER 68 N -1.62 0.39 -4.15 2.83 7.64 -1.26 -2.63 113.62 114.82 2q96 n SER 68 Ca -0.05 0.16 -0.10 0.00 1.01 0.00 0.00 58.87 59.89 2q96 n SER 68 Cb 0.65 1.04 -0.10 0.00 -1.01 0.00 0.00 64.21 64.79 2q96 n SER 68 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2q96 s VAL 69 N -3.15 0.07 -0.15 0.44 -7.23 -1.26 -4.38 120.40 104.73 2q96 s VAL 69 Ca -0.06 -1.90 -0.04 0.00 -1.81 0.00 0.00 61.98 58.17 2q96 s VAL 69 Cb 0.10 -2.17 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 2q96 s VAL 69 CO 0.85 -0.32 -0.03 0.00 -0.31 0.00 0.00 175.10 175.29 2q96 s ILE 71 N 0.33 1.46 -0.13 0.00 1.01 -0.48 -0.71 121.20 122.69 2q96 s ILE 71 Ca -0.04 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 59.89 2q96 s ILE 71 Cb -0.14 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 40.84 2q96 s ILE 71 CO 0.03 0.27 -0.20 -0.44 0.00 0.00 0.00 174.94 174.60 2q96 s SER 72 N 1.50 3.30 -0.09 3.58 0.01 -0.37 -3.73 113.70 117.90 2q96 s SER 72 Ca 0.02 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.75 2q96 s SER 72 Cb -0.15 -1.47 -0.03 0.00 0.21 0.00 0.00 66.02 64.59 2q96 s SER 72 CO -0.09 0.12 -0.09 -0.63 0.41 0.00 0.00 173.24 172.96 2q96 s ILE 73 N 0.60 3.46 0.00 1.44 1.01 -1.26 -0.57 121.20 125.87 2q96 s ILE 73 Ca -0.11 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 59.99 2q96 s ILE 73 Cb -0.16 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 39.87 2q96 s ILE 73 CO 0.03 0.56 0.00 0.59 0.00 0.00 0.00 174.94 176.12 2q96 n ASN 74 N 2.76 0.00 0.08 3.58 3.02 -0.39 -1.21 115.26 123.09 2q96 n ASN 74 Ca -0.18 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.49 2q96 n ASN 74 Cb 0.53 0.00 0.45 0.00 -0.61 0.00 0.00 39.78 40.14 2q96 n ASN 74 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2q96 n GLU 75 N 0.00 0.14 -2.34 3.52 0.00 -1.26 -1.79 120.64 118.92 2q96 n GLU 75 Ca 0.00 0.29 -0.42 0.00 0.00 0.00 0.00 57.16 57.02 2q96 n GLU 75 Cb 0.00 -1.73 -0.03 0.00 0.00 0.00 0.00 31.44 29.69 2q96 n GLU 75 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2q96 s VAL 76 N -3.16 3.99 -0.05 3.84 1.01 -0.35 -1.73 120.40 123.95 2q96 s VAL 76 Ca 0.07 1.33 -0.22 0.00 0.00 0.00 0.00 61.98 63.16 2q96 s VAL 76 Cb 0.11 -3.86 -0.30 0.00 0.00 0.00 0.00 36.38 32.33 2q96 s VAL 76 CO 0.42 -0.02 0.90 0.58 0.00 0.00 0.00 175.10 176.99 2q96 h VAL 77 N 5.03 1.53 -2.32 2.92 2.07 -0.16 -3.39 116.25 121.93 2q96 h VAL 77 Ca -0.35 -2.48 0.18 0.00 0.82 0.00 0.00 66.70 64.87 2q96 h VAL 77 Cb 1.16 3.18 -0.07 0.00 -1.52 0.00 0.00 31.29 34.04 2q96 h VAL 77 CO 0.90 0.70 0.54 0.00 0.02 0.00 0.00 177.57 179.73 2q96 n HIS 79 N -0.53 -0.67 -1.88 0.00 8.25 -1.26 -2.32 115.22 116.80 2q96 n HIS 79 Ca -0.05 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.99 2q96 n HIS 79 Cb 0.61 -3.57 -0.01 0.00 1.12 0.00 0.00 29.99 28.13 2q96 n HIS 79 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2q96 s GLY 80 N -2.29 2.56 -0.24 -1.41 0.00 -1.24 -3.73 107.32 100.96 2q96 s GLY 80 Ca 0.00 1.48 -0.15 0.00 0.00 0.00 0.00 44.72 46.05 2q96 s GLY 80 CO 0.00 2.31 0.39 -0.42 0.00 0.00 0.00 173.10 175.38 2q96 s ILE 81 N -0.54 5.18 0.26 0.90 1.01 -1.26 -1.38 121.20 125.39 2q96 s ILE 81 Ca 0.57 0.64 -0.30 0.00 0.00 0.00 0.00 60.65 61.55 2q96 s ILE 81 Cb -0.45 -3.71 -0.13 0.00 0.01 0.00 0.00 42.46 38.17 2q96 s ILE 81 CO 0.53 0.20 1.32 -2.65 0.00 0.00 0.00 174.94 174.34 2q96 n PRO 82 N 4.95 1.93 -3.79 2.79 -0.02 -1.26 -4.92 135.00 134.68 2q96 n PRO 82 Ca -0.08 0.68 -0.13 0.00 -2.02 0.00 0.00 63.50 61.95 2q96 n PRO 82 Cb 0.51 -2.28 -0.13 0.00 -0.02 0.00 0.00 33.50 31.58 2q96 n PRO 82 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2q96 s ASP 83 N 0.05 -0.18 0.61 2.55 -1.08 -1.26 -4.65 116.67 112.71 2q96 s ASP 83 Ca 0.65 0.36 0.39 0.00 -0.52 0.00 0.00 52.55 53.43 2q96 s ASP 83 Cb -0.65 0.33 1.92 0.00 -1.46 0.00 0.00 42.92 43.06 2q96 s ASP 83 CO 0.54 -0.09 2.19 0.44 0.52 0.00 0.00 175.17 178.76 2q96 h ASP 84 N 6.33 0.00 0.67 -0.34 3.32 -1.91 -1.63 116.42 122.86 2q96 h ASP 84 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2q96 h ASP 84 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2q96 h ASP 84 CO 0.40 0.00 -0.70 0.00 -1.72 0.00 0.00 179.24 177.22 2q96 n ALA 85 N -2.08 3.19 -2.53 3.45 0.00 -1.26 -4.80 120.51 116.48 2q96 n ALA 85 Ca -0.01 -0.31 -0.43 0.00 0.00 0.00 0.00 53.44 52.69 2q96 n ALA 85 Cb 0.18 -1.11 -0.07 0.00 0.00 0.00 0.00 19.45 18.46 2q96 n ALA 85 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2q96 s LYS 86 N -3.14 3.35 -0.09 0.00 2.47 -0.99 -5.04 119.74 116.31 2q96 s LYS 86 Ca 0.07 -0.29 -0.04 0.00 -1.56 0.00 0.00 55.97 54.15 2q96 s LYS 86 Cb 0.15 -3.93 -0.04 0.00 -1.46 0.00 0.00 37.83 32.55 2q96 s LYS 86 CO 0.74 -0.98 0.07 -0.51 0.16 0.00 0.00 175.35 174.83 2q96 s LEU 87 N 2.84 3.97 0.60 5.43 1.43 -1.26 -1.37 118.68 130.32 2q96 s LEU 87 Ca 0.23 0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 53.49 2q96 s LEU 87 Cb -0.14 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 2q96 s LEU 87 CO 0.19 0.38 1.02 -0.76 0.23 0.00 0.00 176.35 177.41 2q96 s LEU 88 N -1.07 3.35 0.16 1.79 1.43 -0.03 -4.88 118.68 119.43 2q96 s LEU 88 Ca 0.15 1.52 -0.10 0.00 -1.03 0.00 0.00 54.13 54.68 2q96 s LEU 88 Cb -0.12 -4.49 -0.00 0.00 0.03 0.00 0.00 46.19 41.61 2q96 s LEU 88 CO 0.05 -0.89 0.31 -1.59 0.23 0.00 0.00 176.35 174.46 2q96 s LYS 89 N -4.75 1.15 0.20 1.70 -2.85 -1.26 -0.66 119.74 113.27 2q96 s LYS 89 Ca 0.57 -1.11 -0.32 0.00 -1.00 0.00 0.00 55.97 54.11 2q96 s LYS 89 Cb -0.11 0.39 -0.14 0.00 -2.06 0.00 0.00 37.83 35.90 2q96 s LYS 89 CO 0.46 -0.43 1.32 -0.25 0.10 0.00 0.00 175.35 176.56 2q96 n ASP 90 N -0.22 2.18 0.00 0.03 9.92 -1.26 -1.89 116.55 125.31 2q96 n ASP 90 Ca -0.08 1.14 0.00 0.00 -0.53 0.00 0.00 54.79 55.31 2q96 n ASP 90 Cb 0.63 -1.33 0.00 0.00 -0.64 0.00 0.00 41.12 39.77 2q96 n ASP 90 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2q96 n GLY 91 N 2.21 3.20 3.76 0.44 0.00 0.26 -4.90 105.19 110.17 2q96 n GLY 91 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 2q96 n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2q96 s ASP 92 N -1.10 5.69 -0.12 1.61 1.01 -0.79 -4.49 116.67 118.47 2q96 s ASP 92 Ca 0.00 2.75 -0.01 0.00 0.71 0.00 0.00 52.55 56.01 2q96 s ASP 92 Cb 0.00 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 2q96 s ASP 92 CO 0.00 -1.28 -0.09 0.27 0.21 0.00 0.00 175.17 174.27 2q96 s ILE 93 N -1.29 3.40 -0.02 0.77 -4.36 -1.26 -0.73 121.20 117.71 2q96 s ILE 93 Ca 0.65 -0.55 0.01 0.00 -0.26 0.00 0.00 60.65 60.51 2q96 s ILE 93 Cb -0.40 -2.43 0.01 0.00 1.25 0.00 0.00 42.46 40.89 2q96 s ILE 93 CO 0.49 0.53 -0.05 -0.69 0.24 0.00 0.00 174.94 175.46 2q96 s VAL 94 N 0.10 0.50 -0.14 8.37 1.01 0.64 -1.27 120.40 129.61 2q96 s VAL 94 Ca -0.04 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 2q96 s VAL 94 Cb -0.14 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 2q96 s VAL 94 CO 0.04 0.18 0.02 0.21 0.00 0.00 0.00 175.10 175.55 2q96 s ASN 95 N 0.43 5.32 -0.18 3.32 3.84 0.26 0.28 114.94 128.21 2q96 s ASN 95 Ca -0.05 0.07 0.01 0.00 0.21 0.00 0.00 52.86 53.09 2q96 s ASN 95 Cb -0.09 -1.77 0.02 0.00 -0.55 0.00 0.00 41.25 38.86 2q96 s ASN 95 CO -0.00 0.25 -0.19 -0.63 -2.79 0.00 0.00 177.10 173.74 2q96 s ILE 96 N -0.10 2.15 -0.19 -5.21 1.01 -1.04 -1.23 121.20 116.57 2q96 s ILE 96 Ca 0.05 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 59.75 2q96 s ILE 96 Cb -0.12 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 2q96 s ILE 96 CO 0.02 0.53 -0.06 -0.62 0.00 0.00 0.00 174.94 174.82 2q96 s ASP 97 N 1.22 4.34 0.01 3.58 -1.08 0.12 -2.96 116.67 121.89 2q96 s ASP 97 Ca 0.03 -0.33 0.07 0.00 -0.52 0.00 0.00 52.55 51.80 2q96 s ASP 97 Cb -0.13 -1.72 -0.03 0.00 -1.46 0.00 0.00 42.92 39.57 2q96 s ASP 97 CO -0.10 0.04 -0.21 -0.69 0.52 0.00 0.00 175.17 174.73 2q96 s VAL 98 N 1.09 2.50 -0.16 1.11 1.01 0.08 -2.39 120.40 123.64 2q96 s VAL 98 Ca 0.01 -1.11 -0.04 0.00 0.00 0.00 0.00 61.98 60.84 2q96 s VAL 98 Cb -0.15 -1.97 0.08 0.00 0.00 0.00 0.00 36.38 34.34 2q96 s VAL 98 CO -0.00 0.47 0.26 -0.89 0.00 0.00 0.00 175.10 174.93 2q96 s THR 99 N -0.77 -0.41 0.17 3.92 2.01 -1.26 -1.20 115.64 118.10 2q96 s THR 99 Ca 0.12 0.15 0.10 0.00 0.31 0.00 0.00 61.69 62.38 2q96 s THR 99 Cb -0.10 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.83 2q96 s THR 99 CO 0.02 0.02 -0.20 0.68 -0.69 0.00 0.00 174.62 174.44 2q96 s VAL 100 N 2.41 2.60 -0.14 3.82 -7.23 -0.69 -1.02 120.40 120.15 2q96 s VAL 100 Ca 0.04 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.38 2q96 s VAL 100 Cb -0.13 -2.23 -0.01 0.00 0.56 0.00 0.00 36.38 34.56 2q96 s VAL 100 CO -0.10 -0.05 -0.14 -0.63 -0.31 0.00 0.00 175.10 173.87 2q96 s ILE 101 N -1.50 2.91 -0.06 -0.62 1.01 0.90 -1.34 121.20 122.50 2q96 s ILE 101 Ca 0.20 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 2q96 s ILE 101 Cb -0.09 -2.22 0.04 0.00 0.01 0.00 0.00 42.46 40.20 2q96 s ILE 101 CO 0.10 0.52 0.12 -0.75 0.00 0.00 0.00 174.94 174.93 2q96 s LYS 102 N 0.50 0.03 -1.50 2.79 2.47 -0.26 -2.18 119.74 121.59 2q96 s LYS 102 Ca -0.10 0.39 -0.04 0.00 -1.56 0.00 0.00 55.97 54.67 2q96 s LYS 102 Cb -0.16 -0.25 0.01 0.00 -1.46 0.00 0.00 37.83 35.98 2q96 s LYS 102 CO 0.04 -0.22 0.36 -3.47 0.16 0.00 0.00 175.35 172.23 2q96 n ASP 103 N 4.61 -5.38 0.00 1.43 2.03 -1.26 -1.74 116.55 116.24 2q96 n ASP 103 Ca -0.19 -0.17 0.00 0.00 0.52 0.00 0.00 54.79 54.95 2q96 n ASP 103 Cb 0.51 -4.41 0.00 0.00 -0.72 0.00 0.00 41.12 36.49 2q96 n ASP 103 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2q96 n GLY 104 N -1.25 1.61 3.50 0.27 0.00 -1.26 -5.04 105.19 103.02 2q96 n GLY 104 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 2q96 n GLY 104 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2q96 s PHE 105 N -3.03 2.57 0.04 1.61 0.40 -0.71 -4.18 117.98 114.68 2q96 s PHE 105 Ca 0.00 -0.24 -0.09 0.00 -0.60 0.00 0.00 56.93 56.00 2q96 s PHE 105 Cb 0.00 -1.37 -0.05 0.00 0.51 0.00 0.00 43.02 42.10 2q96 s PHE 105 CO 0.00 0.38 0.35 -1.01 0.70 0.00 0.00 175.22 175.63 2q96 s HIS 106 N -1.13 3.60 -0.13 0.36 3.76 -0.23 -1.10 115.29 120.42 2q96 s HIS 106 Ca 0.18 0.72 0.01 0.00 -0.15 0.00 0.00 55.06 55.83 2q96 s HIS 106 Cb -0.11 -2.10 0.02 0.00 1.11 0.00 0.00 32.58 31.50 2q96 s HIS 106 CO 0.10 0.57 -0.15 0.20 -0.85 0.00 0.00 174.74 174.61 2q96 s GLY 107 N -1.66 1.10 -0.11 -2.22 0.00 -0.45 -4.64 107.32 99.35 2q96 s GLY 107 Ca 0.30 -0.83 0.01 0.00 0.00 0.00 0.00 44.72 44.19 2q96 s GLY 107 CO 0.17 0.33 -0.12 -0.35 0.00 0.00 0.00 173.10 173.13 2q96 s ASP 108 N 1.18 2.28 -0.01 1.64 -1.08 -1.26 -1.70 116.67 117.71 2q96 s ASP 108 Ca -0.02 -0.38 -0.29 0.00 -0.52 0.00 0.00 52.55 51.35 2q96 s ASP 108 Cb -0.14 -0.99 0.08 0.00 -1.46 0.00 0.00 42.92 40.42 2q96 s ASP 108 CO -0.05 -0.03 0.74 0.28 0.52 0.00 0.00 175.17 176.63 2q96 s THR 109 N 1.20 0.00 0.11 1.71 -1.32 -0.34 -3.28 115.64 113.71 2q96 s THR 109 Ca -0.03 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.32 2q96 s THR 109 Cb -0.14 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.87 2q96 s THR 109 CO -0.04 0.00 0.32 -0.94 -2.21 0.00 0.00 174.62 171.75 2q96 s SER 110 N -1.71 -0.09 0.16 8.08 1.04 -1.08 -0.74 113.70 119.35 2q96 s SER 110 Ca -0.04 -0.45 -0.12 0.00 0.48 0.00 0.00 55.95 55.82 2q96 s SER 110 Cb -0.00 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.54 2q96 s SER 110 CO 0.01 -0.80 0.35 -1.59 0.98 0.00 0.00 173.24 172.18 2q96 s LYS 111 N -3.81 1.17 0.07 4.02 -2.85 -1.16 -1.79 119.74 115.39 2q96 s LYS 111 Ca 0.04 -1.02 -0.06 0.00 -1.00 0.00 0.00 55.97 53.93 2q96 s LYS 111 Cb 0.03 0.42 -0.05 0.00 -2.06 0.00 0.00 37.83 36.17 2q96 s LYS 111 CO -0.12 -0.45 0.33 -1.64 0.10 0.00 0.00 175.35 173.58 2q96 s MET 112 N -3.91 3.62 -0.02 1.78 -1.94 -1.26 -2.51 119.30 115.06 2q96 s MET 112 Ca 0.12 -0.06 0.04 0.00 -1.71 0.00 0.00 55.69 54.08 2q96 s MET 112 Cb 0.02 -2.98 -0.01 0.00 2.01 0.00 0.00 34.83 33.87 2q96 s MET 112 CO -0.03 0.57 -0.14 -0.06 -0.01 0.00 0.00 175.02 175.34 2q96 s PHE 113 N -1.46 1.31 -0.19 -0.03 0.40 0.14 -4.95 117.98 113.21 2q96 s PHE 113 Ca 0.34 -0.28 -0.06 0.00 -0.60 0.00 0.00 56.93 56.33 2q96 s PHE 113 Cb -0.13 -0.86 -0.03 0.00 0.51 0.00 0.00 43.02 42.51 2q96 s PHE 113 CO 0.20 -0.05 0.03 0.42 0.70 0.00 0.00 175.22 176.53 2q96 s ILE 114 N -0.22 4.42 -0.11 0.64 1.01 -1.26 -0.26 121.20 125.41 2q96 s ILE 114 Ca 0.03 -0.16 -0.23 0.00 0.00 0.00 0.00 60.65 60.29 2q96 s ILE 114 Cb -0.07 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.38 2q96 s ILE 114 CO -0.00 0.44 0.68 -0.69 0.00 0.00 0.00 174.94 175.38 2q96 s VAL 115 N 0.64 5.03 0.00 2.92 1.01 0.09 -4.94 120.40 125.15 2q96 s VAL 115 Ca 0.02 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.37 2q96 s VAL 115 Cb -0.14 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2q96 s VAL 115 CO 0.02 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.93 2q96 n GLY 116 N 3.31 2.74 3.65 4.51 0.00 -1.26 -0.57 105.19 117.56 2q96 n GLY 116 Ca -0.01 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 2q96 n GLY 116 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2q96 s LYS 117 N 0.00 4.01 0.70 1.61 2.20 -1.26 -4.72 119.74 122.28 2q96 s LYS 117 Ca 0.00 1.86 -0.11 0.00 -0.36 0.00 0.00 55.97 57.36 2q96 s LYS 117 Cb 0.00 -3.97 0.01 0.00 -1.51 0.00 0.00 37.83 32.36 2q96 s LYS 117 CO 0.00 -1.03 1.06 -1.25 -0.36 0.00 0.00 175.35 173.77 2q96 s PRO 118 N 4.24 2.90 0.02 4.03 0.04 -1.26 -1.34 135.00 143.63 2q96 s PRO 118 Ca 0.69 0.89 0.02 0.00 0.04 0.00 0.00 61.00 62.65 2q96 s PRO 118 Cb -0.27 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 2q96 s PRO 118 CO 0.27 -1.11 0.02 0.95 0.04 0.00 0.00 177.00 177.17 2q96 s THR 119 N -3.07 4.24 0.21 1.26 -4.23 -1.26 -4.90 115.64 107.88 2q96 s THR 119 Ca 0.58 -0.66 -0.10 0.00 -1.18 0.00 0.00 61.69 60.33 2q96 s THR 119 Cb -0.14 -2.94 0.15 0.00 1.34 0.00 0.00 72.50 70.91 2q96 s THR 119 CO 0.55 0.30 1.85 0.40 -0.54 0.00 0.00 174.62 177.18 2q96 h ILE 120 N 3.27 1.09 -0.42 2.99 1.08 -1.98 -1.31 117.51 122.22 2q96 h ILE 120 Ca -0.48 -0.29 -0.10 0.00 -0.39 0.00 0.00 64.86 63.59 2q96 h ILE 120 Cb 1.17 0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 2q96 h ILE 120 CO 0.59 0.16 -0.14 -0.03 -0.69 0.00 0.00 178.15 178.04 2q96 h MET 121 N 0.85 0.78 -0.29 2.37 4.05 -1.99 -1.00 114.93 119.70 2q96 h MET 121 Ca 0.29 -0.27 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 2q96 h MET 121 Cb 0.03 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.76 2q96 h MET 121 CO -0.11 0.87 0.09 0.78 0.23 0.00 0.00 176.91 178.77 2q96 h GLY 122 N 0.97 0.49 1.01 1.39 0.00 -1.81 -1.36 103.07 103.75 2q96 h GLY 122 Ca 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2q96 h GLY 122 CO 0.04 0.27 0.40 0.83 0.00 0.00 0.00 176.54 178.09 2q96 h GLU 123 N 0.31 1.01 -0.20 4.80 5.08 -1.03 -1.89 114.58 122.66 2q96 h GLU 123 Ca 0.09 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2q96 h GLU 123 Cb 0.25 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2q96 h GLU 123 CO -0.00 0.75 0.07 -0.09 -1.00 0.00 0.00 179.01 178.74 2q96 h ARG 124 N 1.00 0.31 -0.57 2.33 2.43 -1.01 0.79 114.38 119.65 2q96 h ARG 124 Ca 0.26 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 2q96 h ARG 124 Cb 0.03 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 2q96 h ARG 124 CO -0.04 0.39 0.34 1.25 -1.51 0.00 0.00 179.97 180.40 2q96 h LEU 125 N 0.16 0.55 -0.39 3.80 5.85 -1.11 0.24 115.31 124.41 2q96 h LEU 125 Ca 0.07 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 2q96 h LEU 125 Cb 0.20 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2q96 h LEU 125 CO -0.00 0.38 0.09 0.00 -0.34 0.00 0.00 178.44 178.57 2q96 h ARG 127 N 0.49 0.05 -0.84 0.00 2.43 -0.30 -1.21 114.38 115.01 2q96 h ARG 127 Ca 0.12 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 2q96 h ARG 127 Cb 0.32 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 2q96 h ARG 127 CO 0.00 0.03 0.39 0.82 -1.51 0.00 0.00 179.97 179.70 2q96 h ILE 128 N 0.05 1.26 -0.30 1.20 1.08 -0.92 -0.07 117.51 119.81 2q96 h ILE 128 Ca 0.03 -0.75 -0.01 0.00 -0.39 0.00 0.00 64.86 63.73 2q96 h ILE 128 Cb 0.02 0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 33.96 2q96 h ILE 128 CO -0.04 0.32 0.14 0.74 -0.69 0.00 0.00 178.15 178.62 2q96 h THR 129 N 1.20 1.16 -0.61 -0.27 2.02 -0.97 0.91 112.91 116.36 2q96 h THR 129 Ca 0.29 -0.48 -0.06 0.00 0.77 0.00 0.00 66.41 66.92 2q96 h THR 129 Cb 0.14 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 2q96 h THR 129 CO -0.03 0.17 0.13 -0.61 0.37 0.00 0.00 175.52 175.55 2q96 h GLN 130 N 0.35 0.97 -0.41 6.66 4.15 -0.98 -2.03 115.11 123.82 2q96 h GLN 130 Ca 0.10 -0.22 -0.04 0.00 0.77 0.00 0.00 58.65 59.26 2q96 h GLN 130 Cb 0.14 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 2q96 h GLN 130 CO -0.01 0.88 0.08 0.93 -1.93 0.00 0.00 178.83 178.78 2q96 h GLU 131 N 0.92 0.62 -0.21 1.69 5.08 -0.53 0.42 114.58 122.58 2q96 h GLU 131 Ca 0.19 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 2q96 h GLU 131 Cb 0.36 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2q96 h GLU 131 CO 0.00 0.58 -0.34 0.66 -1.00 0.00 0.00 179.01 178.91 2q96 h SER 132 N 0.60 0.45 -0.24 1.42 4.64 -0.18 -0.18 113.55 120.06 2q96 h SER 132 Ca 0.14 -0.18 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 2q96 h SER 132 Cb 0.25 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2q96 h SER 132 CO -0.00 0.76 -0.17 0.25 -0.87 0.00 0.00 176.83 176.81 2q96 h LEU 133 N 0.37 0.55 -0.62 5.97 5.85 -0.68 -2.73 115.31 124.03 2q96 h LEU 133 Ca 0.04 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 2q96 h LEU 133 Cb 0.78 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 2q96 h LEU 133 CO 0.06 0.88 0.34 1.88 -0.34 0.00 0.00 178.44 181.26 2q96 h TYR 134 N 0.23 0.85 -0.38 1.25 -1.99 -0.69 -0.44 116.97 115.80 2q96 h TYR 134 Ca 0.05 -0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.70 2q96 h TYR 134 Cb 0.69 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 39.13 2q96 h TYR 134 CO 0.07 0.62 0.02 1.37 -0.00 0.00 0.00 178.16 180.24 2q96 h LEU 135 N 0.84 0.56 -0.33 3.88 8.10 -1.04 -1.20 115.31 126.13 2q96 h LEU 135 Ca 0.22 -0.11 -0.07 0.00 0.11 0.00 0.00 57.88 58.03 2q96 h LEU 135 Cb 0.05 -0.15 -0.01 0.00 -0.44 0.00 0.00 40.66 40.11 2q96 h LEU 135 CO -0.03 0.61 -0.08 0.00 -4.11 0.00 0.00 178.44 174.83 2q96 h ALA 136 N 1.46 0.45 -0.85 0.17 0.00 -1.10 -2.98 119.26 116.41 2q96 h ALA 136 Ca 0.12 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2q96 h ALA 136 Cb 0.33 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2q96 h ALA 136 CO 0.01 0.29 0.52 -0.07 0.00 0.00 0.00 179.25 179.99 2q96 h LEU 137 N 0.41 1.01 -1.07 0.00 3.38 -0.62 -1.55 115.31 116.87 2q96 h LEU 137 Ca 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2q96 h LEU 137 Cb 0.58 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2q96 h LEU 137 CO 0.03 0.77 0.00 0.03 0.09 0.00 0.00 178.44 179.36 2q96 h ARG 138 N 1.16 0.00 0.00 1.13 3.08 -1.09 -2.65 114.38 116.02 2q96 h ARG 138 Ca 0.31 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.32 2q96 h ARG 138 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 2q96 h ARG 138 CO -0.06 0.00 -1.12 -1.33 -1.07 0.00 0.00 179.97 176.39 2q96 n MET 139 N -2.38 0.61 -1.82 0.04 2.81 -0.59 -4.93 117.12 110.86 2q96 n MET 139 Ca 0.01 0.13 -0.42 0.00 -1.81 0.00 0.00 57.70 55.61 2q96 n MET 139 Cb 0.18 -1.81 -0.03 0.00 -0.71 0.00 0.00 33.22 30.85 2q96 n MET 139 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2q96 s VAL 140 N -3.28 3.15 -0.12 2.03 1.01 -1.00 -4.93 120.40 117.26 2q96 s VAL 140 Ca -0.01 0.31 -0.31 0.00 0.00 0.00 0.00 61.98 61.96 2q96 s VAL 140 Cb 0.09 -3.20 0.13 0.00 0.00 0.00 0.00 36.38 33.40 2q96 s VAL 140 CO 0.80 -0.02 1.06 -1.59 0.00 0.00 0.00 175.10 175.34 2q96 s LYS 141 N 3.90 0.54 0.35 2.72 -2.85 -1.26 -3.64 119.74 119.50 2q96 s LYS 141 Ca 0.81 -0.12 -0.27 0.00 -1.00 0.00 0.00 55.97 55.39 2q96 s LYS 141 Cb -0.40 0.25 -0.12 0.00 -2.06 0.00 0.00 37.83 35.50 2q96 s LYS 141 CO 0.36 -0.22 1.19 -2.30 0.10 0.00 0.00 175.35 174.48 2q96 n PRO 142 N 0.06 1.82 0.00 1.78 -0.02 -1.26 -2.67 135.00 134.72 2q96 n PRO 142 Ca -0.05 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2q96 n PRO 142 Cb 0.59 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 2q96 n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2q96 n GLY 143 N 0.93 3.27 3.83 -1.23 0.00 -0.51 -4.95 105.19 106.54 2q96 n GLY 143 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 2q96 n GLY 143 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2q96 s ILE 144 N -2.24 4.52 -0.02 -0.61 2.07 -1.09 -4.70 121.20 119.14 2q96 s ILE 144 Ca 0.00 1.24 -0.13 0.00 -1.41 0.00 0.00 60.65 60.35 2q96 s ILE 144 Cb 0.00 -3.62 -0.05 0.00 0.13 0.00 0.00 42.46 38.91 2q96 s ILE 144 CO 0.00 -0.33 0.35 0.21 -1.91 0.00 0.00 174.94 173.26 2q96 s ASN 145 N -2.37 6.71 0.56 4.50 3.84 -1.26 -1.23 114.94 125.69 2q96 s ASN 145 Ca 0.59 0.85 0.24 0.00 0.21 0.00 0.00 52.86 54.74 2q96 s ASN 145 Cb -0.10 -2.21 1.57 0.00 -0.55 0.00 0.00 41.25 39.96 2q96 s ASN 145 CO 0.17 0.33 2.19 -0.07 -2.79 0.00 0.00 177.10 176.93 2q96 h LEU 146 N 4.67 0.00 -0.78 3.21 3.38 -1.27 -1.44 115.31 123.07 2q96 h LEU 146 Ca -0.52 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 2q96 h LEU 146 Cb 1.22 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 2q96 h LEU 146 CO 0.61 0.00 0.40 -0.09 0.09 0.00 0.00 178.44 179.45 2q96 h ARG 147 N 0.00 1.11 -0.99 1.13 2.43 -1.82 -0.86 114.38 115.38 2q96 h ARG 147 Ca 0.02 -0.15 0.04 0.00 -0.81 0.00 0.00 59.98 59.07 2q96 h ARG 147 Cb 0.08 -0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 29.36 2q96 h ARG 147 CO -0.00 0.84 0.65 0.93 -1.51 0.00 0.00 179.97 180.88 2q96 h GLU 148 N 1.09 1.22 -0.16 0.20 5.08 -1.64 0.19 114.58 120.55 2q96 h GLU 148 Ca 0.27 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 2q96 h GLU 148 Cb 0.08 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 2q96 h GLU 148 CO -0.04 0.81 -0.08 0.82 -1.00 0.00 0.00 179.01 179.52 2q96 h ILE 149 N 1.26 1.31 -0.78 3.13 2.04 -1.40 -1.75 117.51 121.32 2q96 h ILE 149 Ca 0.39 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 65.12 2q96 h ILE 149 Cb -0.01 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 2q96 h ILE 149 CO -0.12 0.33 0.49 1.23 0.00 0.00 0.00 178.15 180.09 2q96 h GLY 150 N 0.02 1.11 1.14 5.37 0.00 -0.79 -1.74 103.07 108.19 2q96 h GLY 150 Ca 0.04 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 2q96 h GLY 150 CO 0.02 0.43 0.32 0.00 0.00 0.00 0.00 176.54 177.32 2q96 h ALA 151 N 1.27 1.15 -0.54 3.60 0.00 -0.90 -2.18 119.26 121.66 2q96 h ALA 151 Ca 0.28 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2q96 h ALA 151 Cb -0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 2q96 h ALA 151 CO -0.06 0.62 -0.11 0.00 0.00 0.00 0.00 179.25 179.71 2q96 h ALA 152 N 1.27 0.74 0.02 0.00 0.00 -0.82 -1.49 119.26 118.97 2q96 h ALA 152 Ca 0.26 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2q96 h ALA 152 Cb 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2q96 h ALA 152 CO -0.03 0.65 -0.01 0.82 0.00 0.00 0.00 179.25 180.69 2q96 h ILE 153 N 0.90 1.02 -0.49 0.00 2.04 -1.10 -2.07 117.51 117.80 2q96 h ILE 153 Ca 0.14 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.91 2q96 h ILE 153 Cb 0.68 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 2q96 h ILE 153 CO 0.05 0.03 0.30 -0.61 0.00 0.00 0.00 178.15 177.91 2q96 h GLN 154 N -0.07 0.58 -0.51 2.37 4.15 -1.30 -1.34 115.11 118.98 2q96 h GLN 154 Ca -0.00 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.39 2q96 h GLN 154 Cb 0.07 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 2q96 h GLN 154 CO 0.00 0.38 0.33 -0.22 -1.93 0.00 0.00 178.83 177.40 2q96 h LYS 155 N 0.60 0.66 0.11 1.69 3.64 -1.15 -1.19 116.57 120.93 2q96 h LYS 155 Ca 0.19 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2q96 h LYS 155 Cb -0.00 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 2q96 h LYS 155 CO -0.08 0.44 -0.05 0.35 -2.27 0.00 0.00 179.45 177.84 2q96 h PHE 156 N 0.68 -0.14 -0.39 1.91 3.57 -1.10 -2.39 116.94 119.08 2q96 h PHE 156 Ca 0.19 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.69 2q96 h PHE 156 Cb -0.07 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2q96 h PHE 156 CO -0.04 0.03 0.26 0.28 -2.23 0.00 0.00 178.31 176.60 2q96 h VAL 157 N -0.27 1.10 -0.03 1.41 2.07 -1.14 -2.85 116.25 116.55 2q96 h VAL 157 Ca -0.01 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 2q96 h VAL 157 Cb 0.22 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2q96 h VAL 157 CO 0.02 0.10 -0.38 -0.33 0.02 0.00 0.00 177.57 177.00 2q96 h GLU 158 N 0.53 0.05 0.00 1.57 5.08 -1.23 -2.04 114.58 118.55 2q96 h GLU 158 Ca 0.14 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2q96 h GLU 158 Cb -0.06 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 2q96 h GLU 158 CO -0.03 0.43 -0.12 0.00 -1.00 0.00 0.00 179.01 178.29 2q96 h ALA 159 N 1.57 1.26 -0.02 3.43 0.00 -1.19 -0.72 119.26 123.58 2q96 h ALA 159 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2q96 h ALA 159 Cb 0.70 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2q96 h ALA 159 CO 0.05 0.16 0.00 0.39 0.00 0.00 0.00 179.25 179.85 2q96 n GLU 160 N -3.61 1.54 -0.68 0.00 -0.58 -0.80 -4.91 120.64 111.59 2q96 n GLU 160 Ca -0.02 -0.78 0.00 0.00 -0.42 0.00 0.00 57.16 55.94 2q96 n GLU 160 Cb 0.25 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 2q96 n GLU 160 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2q96 n GLY 161 N 1.14 0.63 3.90 0.62 0.00 -0.28 -5.06 105.19 106.15 2q96 n GLY 161 Ca 0.20 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 2q96 n GLY 161 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2q96 s PHE 162 N -2.00 1.74 0.12 1.61 0.08 -0.98 -4.77 117.98 113.79 2q96 s PHE 162 Ca 0.00 -0.79 0.04 0.00 0.12 0.00 0.00 56.93 56.30 2q96 s PHE 162 Cb 0.00 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.45 2q96 s PHE 162 CO 0.00 -0.46 -0.10 -1.54 -0.10 0.00 0.00 175.22 173.02 2q96 s SER 163 N -4.28 1.61 -0.17 1.36 1.04 -0.46 -3.63 113.70 109.17 2q96 s SER 163 Ca 0.37 -0.94 -0.06 0.00 0.48 0.00 0.00 55.95 55.80 2q96 s SER 163 Cb -0.02 0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.07 2q96 s SER 163 CO 0.23 -0.32 0.01 -0.69 0.98 0.00 0.00 173.24 173.45 2q96 s VAL 164 N -3.06 4.36 0.08 5.02 1.01 -1.26 -0.80 120.40 125.75 2q96 s VAL 164 Ca 0.12 -0.19 -0.31 0.00 0.00 0.00 0.00 61.98 61.61 2q96 s VAL 164 Cb 0.01 -2.94 -0.07 0.00 0.00 0.00 0.00 36.38 33.38 2q96 s VAL 164 CO -0.00 0.48 1.45 -0.69 0.00 0.00 0.00 175.10 176.33 2q96 s VAL 165 N 0.34 3.32 -0.14 2.92 1.01 -0.54 -4.84 120.40 122.47 2q96 s VAL 165 Ca -0.00 0.87 0.18 0.00 0.00 0.00 0.00 61.98 63.02 2q96 s VAL 165 Cb -0.13 -3.56 -0.11 0.00 0.00 0.00 0.00 36.38 32.58 2q96 s VAL 165 CO 0.01 0.04 0.87 0.03 0.00 0.00 0.00 175.10 176.05 2q96 h ARG 166 N 7.30 0.00 0.00 2.72 2.47 -1.91 -3.39 114.38 121.58 2q96 h ARG 166 Ca -0.41 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.30 2q96 h ARG 166 Cb 1.20 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.52 2q96 h ARG 166 CO 0.89 0.25 -0.06 0.93 0.56 0.00 0.00 179.97 182.53 2q96 h GLU 167 N 0.00 0.00 -5.82 0.04 3.07 -1.94 -3.45 114.58 106.48 2q96 h GLU 167 Ca -0.14 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.21 2q96 h GLU 167 Cb 1.49 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 29.26 2q96 h GLU 167 CO 0.04 0.06 -0.75 0.71 -1.40 0.00 0.00 179.01 177.67 2q96 s TYR 168 N -3.89 1.90 0.26 4.33 1.51 -1.26 -5.15 117.35 115.05 2q96 s TYR 168 Ca -0.01 -0.48 -0.12 0.00 -1.01 0.00 0.00 57.07 55.45 2q96 s TYR 168 Cb 0.11 -0.87 -0.00 0.00 -0.11 0.00 0.00 41.96 41.09 2q96 s TYR 168 CO 0.54 0.46 0.49 0.00 -1.11 0.00 0.00 175.55 175.93 2q96 s GLY 170 N -3.04 1.67 0.03 0.00 0.00 0.70 -4.80 107.32 101.88 2q96 s GLY 170 Ca 0.23 -1.03 -0.27 0.00 0.00 0.00 0.00 44.72 43.65 2q96 s GLY 170 CO 0.10 -0.22 0.80 -2.38 0.00 0.00 0.00 173.10 171.40 2q96 s HIS 171 N -3.44 -0.42 0.81 1.90 -3.43 -1.22 -0.87 115.29 108.63 2q96 s HIS 171 Ca 0.72 0.31 -0.11 0.00 -0.80 0.00 0.00 55.06 55.18 2q96 s HIS 171 Cb -0.07 0.53 0.08 0.00 -1.43 0.00 0.00 32.58 31.69 2q96 s HIS 171 CO 0.54 -0.62 1.11 0.20 -2.00 0.00 0.00 174.74 173.97 2q96 s GLY 172 N -2.43 1.72 -0.04 -1.38 0.00 0.46 -0.67 107.32 104.99 2q96 s GLY 172 Ca 0.03 0.40 -0.24 0.00 0.00 0.00 0.00 44.72 44.91 2q96 s GLY 172 CO -0.09 0.77 0.51 -1.50 0.00 0.00 0.00 173.10 172.79 2q96 s ILE 173 N -2.78 0.03 0.00 0.90 2.07 -0.87 -0.60 121.20 119.96 2q96 s ILE 173 Ca 0.63 -0.21 0.00 0.00 -1.41 0.00 0.00 60.65 59.67 2q96 s ILE 173 Cb -0.19 -0.82 0.00 0.00 0.13 0.00 0.00 42.46 41.57 2q96 s ILE 173 CO 0.56 -0.11 0.00 0.61 -1.91 0.00 0.00 174.94 174.08 2q96 n GLY 174 N 1.13 -0.49 0.13 1.50 0.00 -1.26 -4.67 105.19 101.52 2q96 n GLY 174 Ca -0.20 0.64 0.13 0.00 0.00 0.00 0.00 46.02 46.59 2q96 n GLY 174 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q96 n ARG 175 N 0.00 0.23 -4.49 1.61 1.74 -1.26 -1.06 116.66 113.43 2q96 n ARG 175 Ca 0.00 0.34 -0.32 0.00 -0.77 0.00 0.00 57.85 57.11 2q96 n ARG 175 Cb 0.00 -1.86 -0.11 0.00 -1.02 0.00 0.00 32.46 29.47 2q96 n ARG 175 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2q96 s GLY 176 N -3.59 1.72 0.07 -0.13 0.00 -1.26 -4.86 107.32 99.28 2q96 s GLY 176 Ca 0.07 -1.06 -0.34 0.00 0.00 0.00 0.00 44.72 43.38 2q96 s GLY 176 CO 0.48 -0.93 1.60 -2.75 0.00 0.00 0.00 173.10 171.50 2q96 h PHE 177 N 4.49 -1.05 -3.13 1.90 3.04 -1.91 -3.41 116.94 116.87 2q96 h PHE 177 Ca -0.48 -0.02 -0.67 0.00 3.98 0.00 0.00 57.97 60.78 2q96 h PHE 177 Cb 1.16 0.36 -0.34 0.00 2.56 0.00 0.00 35.95 39.70 2q96 h PHE 177 CO 0.57 -0.61 -0.84 -1.01 -2.02 0.00 0.00 178.31 174.39 2q96 s HIS 178 N -6.01 2.79 0.35 0.41 3.76 -1.26 -4.58 115.29 110.75 2q96 s HIS 178 Ca -0.18 -1.50 0.03 0.00 -0.15 0.00 0.00 55.06 53.26 2q96 s HIS 178 Cb 0.04 -1.93 -0.05 0.00 1.11 0.00 0.00 32.58 31.75 2q96 s HIS 178 CO 0.61 -0.74 0.10 -1.21 -0.85 0.00 0.00 174.74 172.65 2q96 s GLU 179 N 1.25 1.72 0.61 1.40 2.02 0.24 -4.96 118.70 120.97 2q96 s GLU 179 Ca 0.03 -1.99 -0.15 0.00 0.02 0.00 0.00 54.97 52.88 2q96 s GLU 179 Cb -0.14 -0.63 -0.03 0.00 0.10 0.00 0.00 34.13 33.44 2q96 s GLU 179 CO -0.10 -0.33 1.06 -1.21 0.02 0.00 0.00 175.26 174.70 2q96 s GLU 180 N -3.84 3.21 0.69 1.61 2.02 -1.26 -0.40 118.70 120.73 2q96 s GLU 180 Ca 0.32 1.21 -0.03 0.00 0.02 0.00 0.00 54.97 56.49 2q96 s GLU 180 Cb 0.06 -2.02 0.10 0.00 0.10 0.00 0.00 34.13 32.37 2q96 s GLU 180 CO 0.15 -0.90 0.97 -1.25 0.02 0.00 0.00 175.26 174.25 2q96 s PRO 181 N -4.17 1.91 -0.02 0.39 0.04 -1.26 -3.85 135.00 128.05 2q96 s PRO 181 Ca 0.63 -0.80 -0.18 0.00 0.04 0.00 0.00 61.00 60.69 2q96 s PRO 181 Cb -0.16 -2.30 -0.05 0.00 0.04 0.00 0.00 34.50 32.02 2q96 s PRO 181 CO 0.39 -1.30 0.52 -0.65 0.04 0.00 0.00 177.00 176.00 2q96 s GLN 182 N -5.13 4.21 -0.72 4.56 -0.21 -1.26 -1.58 119.66 119.54 2q96 s GLN 182 Ca 0.63 0.60 -0.02 0.00 0.02 0.00 0.00 55.36 56.59 2q96 s GLN 182 Cb -0.08 -3.32 0.18 0.00 1.00 0.00 0.00 33.01 30.80 2q96 s GLN 182 CO 0.44 0.44 0.55 0.08 -2.12 0.00 0.00 175.29 174.68 2q96 s VAL 183 N -0.36 3.91 0.43 1.09 1.01 -0.04 -4.92 120.40 121.50 2q96 s VAL 183 Ca 0.28 -3.30 -0.24 0.00 0.00 0.00 0.00 61.98 58.71 2q96 s VAL 183 Cb -0.17 -3.50 -0.08 0.00 0.00 0.00 0.00 36.38 32.62 2q96 s VAL 183 CO 0.15 -0.95 1.20 -0.76 0.00 0.00 0.00 175.10 174.74 2q96 s LEU 184 N -0.53 4.13 -0.52 3.92 1.43 -1.26 -0.22 118.68 125.63 2q96 s LEU 184 Ca 0.21 2.40 0.02 0.00 -1.03 0.00 0.00 54.13 55.73 2q96 s LEU 184 Cb -0.15 -4.08 0.58 0.00 0.03 0.00 0.00 46.19 42.56 2q96 s LEU 184 CO -0.07 -0.82 1.93 1.41 0.23 0.00 0.00 176.35 179.03 2q96 n HIS 185 N -0.14 3.03 -3.73 0.29 8.25 -1.26 -4.13 115.22 117.52 2q96 n HIS 185 Ca 0.05 -2.28 -0.09 0.00 -0.26 0.00 0.00 57.72 55.14 2q96 n HIS 185 Cb 0.46 -1.10 -0.03 0.00 1.12 0.00 0.00 29.99 30.45 2q96 n HIS 185 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 2q96 s TYR 186 N -3.50 -0.22 0.13 4.41 -0.85 -1.07 -3.63 117.35 112.63 2q96 s TYR 186 Ca 0.59 -0.14 -0.31 0.00 -0.52 0.00 0.00 57.07 56.69 2q96 s TYR 186 Cb 0.49 0.56 -0.08 0.00 0.38 0.00 0.00 41.96 43.31 2q96 s TYR 186 CO 0.06 -1.05 1.28 0.34 -1.52 0.00 0.00 175.55 174.66 2q96 s ASP 187 N -2.87 6.96 -0.14 -0.18 2.15 -1.25 -4.11 116.67 117.23 2q96 s ASP 187 Ca 0.09 2.24 -0.08 0.00 0.43 0.00 0.00 52.55 55.23 2q96 s ASP 187 Cb -0.03 -2.59 0.05 0.00 -0.30 0.00 0.00 42.92 40.04 2q96 s ASP 187 CO -0.00 -0.52 0.33 -0.55 -0.17 0.00 0.00 175.17 174.26 2q96 s SER 188 N 0.72 -0.39 0.30 -0.34 0.15 -1.26 -4.98 113.70 107.90 2q96 s SER 188 Ca 0.59 0.71 0.23 0.00 0.70 0.00 0.00 55.95 58.19 2q96 s SER 188 Cb -0.34 0.61 1.11 0.00 -1.71 0.00 0.00 66.02 65.69 2q96 s SER 188 CO 0.33 -0.17 1.71 0.54 1.20 0.00 0.00 173.24 176.85 2q96 n ARG 189 N 4.10 0.18 0.03 5.44 1.74 -1.26 -1.53 116.66 125.37 2q96 n ARG 189 Ca -0.23 0.53 0.13 0.00 -0.77 0.00 0.00 57.85 57.51 2q96 n ARG 189 Cb 0.55 -1.94 0.44 0.00 -1.02 0.00 0.00 32.46 30.49 2q96 n ARG 189 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2q96 n GLU 190 N -2.29 0.09 -3.34 5.56 1.02 -1.26 -4.78 120.64 115.64 2q96 n GLU 190 Ca 0.00 0.06 -0.39 0.00 -0.02 0.00 0.00 57.16 56.81 2q96 n GLU 190 Cb 0.14 -1.59 -0.08 0.00 -0.02 0.00 0.00 31.44 29.89 2q96 n GLU 190 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2q96 s THR 191 N -3.04 5.14 -0.47 2.62 2.01 -0.58 -4.96 115.64 116.36 2q96 s THR 191 Ca 0.12 0.70 0.06 0.00 0.31 0.00 0.00 61.69 62.88 2q96 s THR 191 Cb 0.17 -3.75 0.20 0.00 0.01 0.00 0.00 72.50 69.13 2q96 s THR 191 CO 0.60 0.15 0.65 -3.20 -0.69 0.00 0.00 174.62 172.13 2q96 n ASN 192 N 5.24 -2.24 -3.92 3.53 2.85 -1.26 -4.59 115.26 114.86 2q96 n ASN 192 Ca -0.07 -2.85 -0.29 0.00 -0.11 0.00 0.00 54.58 51.26 2q96 n ASN 192 Cb 0.50 0.96 -0.16 0.00 1.24 0.00 0.00 39.78 42.33 2q96 n ASN 192 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2q96 s VAL 193 N 0.41 1.26 -0.19 3.44 1.01 -1.26 -5.01 120.40 120.06 2q96 s VAL 193 Ca 0.32 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.43 2q96 s VAL 193 Cb 0.08 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 2q96 s VAL 193 CO -0.13 0.18 0.43 -0.69 0.00 0.00 0.00 175.10 174.88 2q96 s VAL 194 N 1.57 5.18 0.52 2.92 1.01 -1.26 -0.68 120.40 129.66 2q96 s VAL 194 Ca 0.01 0.78 -0.21 0.00 0.00 0.00 0.00 61.98 62.56 2q96 s VAL 194 Cb -0.15 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 2q96 s VAL 194 CO -0.08 0.24 1.17 -0.76 0.00 0.00 0.00 175.10 175.67 2q96 s LEU 195 N 1.32 3.84 0.03 3.92 1.43 -0.36 -4.84 118.68 124.02 2q96 s LEU 195 Ca 0.21 2.28 0.02 0.00 -1.03 0.00 0.00 54.13 55.60 2q96 s LEU 195 Cb -0.15 -4.44 -0.02 0.00 0.03 0.00 0.00 46.19 41.61 2q96 s LEU 195 CO 0.08 -1.18 -0.06 -0.54 0.23 0.00 0.00 176.35 174.89 2q96 s LYS 196 N -3.05 0.44 0.40 1.70 -0.14 -1.26 -1.42 119.74 116.40 2q96 s LYS 196 Ca 0.70 -0.64 -0.27 0.00 -1.36 0.00 0.00 55.97 54.40 2q96 s LYS 196 Cb -0.27 -0.19 -0.10 0.00 -1.68 0.00 0.00 37.83 35.59 2q96 s LYS 196 CO 0.32 0.03 1.43 -2.14 -0.76 0.00 0.00 175.35 174.23 2q96 s PRO 197 N -1.35 3.99 0.00 -1.68 0.02 -1.26 -2.69 135.00 132.03 2q96 s PRO 197 Ca -0.10 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.37 2q96 s PRO 197 Cb -0.09 -2.87 0.00 0.00 0.02 0.00 0.00 34.50 31.57 2q96 s PRO 197 CO -0.00 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 176.50 2q96 n GLY 198 N 0.55 2.49 3.74 0.52 0.00 0.17 -4.86 105.19 107.81 2q96 n GLY 198 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2q96 n GLY 198 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2q96 s MET 199 N -0.90 4.53 -0.10 1.61 -1.94 -1.10 -1.02 119.30 120.38 2q96 s MET 199 Ca 0.00 1.85 0.03 0.00 -1.71 0.00 0.00 55.69 55.86 2q96 s MET 199 Cb 0.00 -3.23 0.00 0.00 2.01 0.00 0.00 34.83 33.61 2q96 s MET 199 CO 0.00 -0.01 -0.21 0.95 -0.01 0.00 0.00 175.02 175.74 2q96 s THR 200 N -0.33 1.86 0.32 2.05 -4.23 -1.26 -0.66 115.64 113.39 2q96 s THR 200 Ca 0.51 -0.90 -0.16 0.00 -1.18 0.00 0.00 61.69 59.96 2q96 s THR 200 Cb -0.32 -1.63 0.03 0.00 1.34 0.00 0.00 72.50 71.92 2q96 s THR 200 CO 0.38 0.52 0.69 0.72 -0.54 0.00 0.00 174.62 176.38 2q96 s PHE 201 N 0.50 0.10 0.26 3.99 -0.12 -0.77 -2.04 117.98 119.90 2q96 s PHE 201 Ca -0.16 -0.60 0.09 0.00 -0.05 0.00 0.00 56.93 56.21 2q96 s PHE 201 Cb -0.17 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 2q96 s PHE 201 CO 0.06 -1.31 0.03 0.95 -0.05 0.00 0.00 175.22 174.90 2q96 s THR 202 N -3.30 3.62 -0.07 -4.49 -4.23 0.15 -1.10 115.64 106.24 2q96 s THR 202 Ca 0.16 -1.82 0.01 0.00 -1.18 0.00 0.00 61.69 58.85 2q96 s THR 202 Cb -0.04 -2.94 0.02 0.00 1.34 0.00 0.00 72.50 70.88 2q96 s THR 202 CO 0.10 -0.37 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.11 2q96 s ILE 203 N -2.29 0.80 -0.45 2.99 1.01 -1.00 -3.39 121.20 118.87 2q96 s ILE 203 Ca 0.32 -0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.80 2q96 s ILE 203 Cb -0.07 -0.81 0.28 0.00 0.01 0.00 0.00 42.46 41.87 2q96 s ILE 203 CO 0.21 0.30 0.89 -1.84 0.00 0.00 0.00 174.94 174.50 2q96 n GLU 204 N 4.33 0.87 -1.85 2.79 0.28 -1.26 -2.27 120.64 123.53 2q96 n GLU 204 Ca -0.19 -2.18 -0.41 0.00 -0.16 0.00 0.00 57.16 54.21 2q96 n GLU 204 Cb 0.51 -1.32 -0.01 0.00 1.43 0.00 0.00 31.44 32.05 2q96 n GLU 204 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2q96 s PRO 205 N -0.04 4.15 -0.24 3.44 0.04 -1.25 -4.79 135.00 136.31 2q96 s PRO 205 Ca 0.30 2.52 -0.06 0.00 0.04 0.00 0.00 61.00 63.80 2q96 s PRO 205 Cb 0.25 -3.00 -0.02 0.00 0.04 0.00 0.00 34.50 31.78 2q96 s PRO 205 CO -0.15 -0.51 0.02 -1.64 0.04 0.00 0.00 177.00 174.77 2q96 s MET 206 N -1.65 3.54 -0.11 4.56 -1.94 -1.26 -3.71 119.30 118.72 2q96 s MET 206 Ca 0.55 -0.54 0.03 0.00 -1.71 0.00 0.00 55.69 54.02 2q96 s MET 206 Cb -0.46 -3.19 -0.00 0.00 2.01 0.00 0.00 34.83 33.19 2q96 s MET 206 CO 0.58 -0.19 -0.21 0.08 -0.01 0.00 0.00 175.02 175.26 2q96 s VAL 207 N 1.55 2.26 -0.06 -6.03 1.01 0.46 -1.46 120.40 118.13 2q96 s VAL 207 Ca 0.06 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 2q96 s VAL 207 Cb -0.15 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 2q96 s VAL 207 CO 0.01 0.55 0.15 0.20 0.00 0.00 0.00 175.10 176.01 2q96 s ASN 208 N 0.45 6.29 0.27 3.32 0.01 0.02 -0.42 114.94 124.87 2q96 s ASN 208 Ca -0.15 0.38 0.09 0.00 -0.71 0.00 0.00 52.86 52.47 2q96 s ASN 208 Cb -0.17 -1.98 0.33 0.00 0.41 0.00 0.00 41.25 39.84 2q96 s ASN 208 CO 0.06 0.33 1.60 0.00 -1.51 0.00 0.00 177.10 177.58 2q96 h ALA 209 N 4.37 0.95 -3.00 0.60 0.00 -0.87 -1.22 119.26 120.09 2q96 h ALA 209 Ca -0.52 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 53.84 2q96 h ALA 209 Cb 1.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2q96 h ALA 209 CO 0.63 0.76 0.00 0.41 0.00 0.00 0.00 179.25 181.06 2q96 n GLY 210 N 0.25 0.86 3.85 0.00 0.00 -1.26 -4.55 105.19 104.34 2q96 n GLY 210 Ca -0.01 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 2q96 n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q96 s LYS 211 N 4.10 3.83 0.41 1.61 1.02 -1.26 -3.91 119.74 125.55 2q96 s LYS 211 Ca 0.00 0.86 0.19 0.00 0.02 0.00 0.00 55.97 57.04 2q96 s LYS 211 Cb 0.00 -2.14 0.91 0.00 -0.52 0.00 0.00 37.83 36.08 2q96 s LYS 211 CO 0.00 -0.34 1.86 1.57 -0.92 0.00 0.00 175.35 177.51 2q96 h LYS 212 N 0.57 0.00 -6.74 1.68 2.10 -1.90 -3.46 116.57 108.83 2q96 h LYS 212 Ca -0.46 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 57.63 2q96 h LYS 212 Cb 1.19 0.00 0.10 0.00 -0.90 0.00 0.00 32.23 32.61 2q96 h LYS 212 CO 0.62 0.30 0.67 0.39 -2.00 0.00 0.00 179.45 179.43 2q96 n GLU 213 N -3.74 2.32 -4.58 0.07 4.71 -1.26 -4.69 120.64 113.47 2q96 n GLU 213 Ca -0.01 0.82 -0.27 0.00 -0.01 0.00 0.00 57.16 57.69 2q96 n GLU 213 Cb 0.40 -2.50 -0.09 0.00 -1.01 0.00 0.00 31.44 28.24 2q96 n GLU 213 CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 2q96 s ILE 214 N -0.52 1.14 -0.13 -3.67 -4.36 -1.26 -0.95 121.20 111.45 2q96 s ILE 214 Ca 0.61 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.88 2q96 s ILE 214 Cb -0.56 -2.52 0.04 0.00 1.25 0.00 0.00 42.46 40.66 2q96 s ILE 214 CO 0.55 0.00 0.36 -0.60 0.24 0.00 0.00 174.94 175.49 2q96 s ARG 215 N -3.80 0.41 -0.15 0.37 3.52 0.59 -4.59 118.95 115.30 2q96 s ARG 215 Ca 0.24 0.51 -0.11 0.00 -0.13 0.00 0.00 55.73 56.24 2q96 s ARG 215 Cb 0.05 0.19 -0.05 0.00 -1.56 0.00 0.00 34.95 33.58 2q96 s ARG 215 CO 0.12 -0.06 0.21 0.99 -0.81 0.00 0.00 175.30 175.75 2q96 s THR 216 N 0.25 5.37 0.80 4.11 2.01 -1.26 -0.53 115.64 126.39 2q96 s THR 216 Ca -0.00 0.36 -0.11 0.00 0.31 0.00 0.00 61.69 62.24 2q96 s THR 216 Cb -0.03 -3.52 0.07 0.00 0.01 0.00 0.00 72.50 69.03 2q96 s THR 216 CO -0.00 0.49 1.09 -0.04 -0.69 0.00 0.00 174.62 175.47 2q96 s MET 217 N -0.11 2.04 0.00 4.92 1.00 0.10 -4.94 119.30 122.32 2q96 s MET 217 Ca 0.14 0.71 0.23 0.00 0.00 0.00 0.00 55.69 56.76 2q96 s MET 217 Cb -0.12 -1.91 1.29 0.00 0.00 0.00 0.00 34.83 34.09 2q96 s MET 217 CO 0.03 -1.67 1.75 1.63 0.00 0.00 0.00 175.02 176.75 2q96 n LYS 218 N -3.48 0.58 0.00 2.03 5.02 -1.26 -2.36 118.16 118.69 2q96 n LYS 218 Ca 0.07 0.03 0.16 0.00 -2.02 0.00 0.00 58.31 56.54 2q96 n LYS 218 Cb 0.56 -1.50 0.86 0.00 -0.02 0.00 0.00 35.03 34.93 2q96 n LYS 218 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2q96 n ASP 219 N -1.10 0.18 0.00 4.39 5.68 -1.26 -4.90 116.55 119.53 2q96 n ASP 219 Ca 0.15 -0.91 0.00 0.00 -0.50 0.00 0.00 54.79 53.53 2q96 n ASP 219 Cb 0.12 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 2q96 n ASP 219 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2q96 n GLY 220 N 1.07 0.80 1.61 6.12 0.00 -1.00 -4.80 105.19 109.00 2q96 n GLY 220 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2q96 n GLY 220 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2q96 n TRP 221 N -2.20 -0.54 -1.70 1.61 7.02 -1.26 -5.02 117.44 115.34 2q96 n TRP 221 Ca 0.00 0.10 -0.43 0.00 -1.02 0.00 0.00 57.50 56.15 2q96 n TRP 221 Cb 0.01 0.32 -0.03 0.00 -2.42 0.00 0.00 31.31 29.19 2q96 n TRP 221 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 2q96 n THR 222 N -2.97 0.14 -5.00 -0.99 -1.04 -1.24 -4.68 114.28 98.50 2q96 n THR 222 Ca 0.00 -0.02 -0.32 0.00 -2.04 0.00 0.00 64.05 61.66 2q96 n THR 222 Cb 0.13 -1.95 -0.16 0.00 -1.82 0.00 0.00 70.33 66.53 2q96 n THR 222 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2q96 s VAL 223 N 1.72 2.58 0.26 12.58 1.01 -0.98 0.03 120.40 137.60 2q96 s VAL 223 Ca 0.79 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.98 2q96 s VAL 223 Cb -0.53 -2.04 -0.06 0.00 0.00 0.00 0.00 36.38 33.75 2q96 s VAL 223 CO 0.35 0.54 -0.03 -0.54 0.00 0.00 0.00 175.10 175.43 2q96 s LYS 224 N 0.28 1.47 0.29 2.72 1.02 0.31 0.57 119.74 126.39 2q96 s LYS 224 Ca -0.13 -1.75 -0.29 0.00 0.02 0.00 0.00 55.97 53.82 2q96 s LYS 224 Cb -0.16 -0.92 -0.10 0.00 -0.52 0.00 0.00 37.83 36.13 2q96 s LYS 224 CO 0.07 -0.03 1.12 0.95 -0.92 0.00 0.00 175.35 176.54 2q96 s THR 225 N -3.19 3.42 0.33 2.17 -4.23 -0.71 -0.30 115.64 113.12 2q96 s THR 225 Ca 0.29 1.41 0.02 0.00 -1.18 0.00 0.00 61.69 62.24 2q96 s THR 225 Cb 0.05 -3.89 0.20 0.00 1.34 0.00 0.00 72.50 70.20 2q96 s THR 225 CO 0.11 0.33 1.92 0.50 -0.54 0.00 0.00 174.62 176.94 2q96 h LYS 226 N 3.71 0.73 -0.36 3.99 3.64 -1.29 -2.24 116.57 124.75 2q96 h LYS 226 Ca -0.47 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 2q96 h LYS 226 Cb 1.21 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2q96 h LYS 226 CO 0.67 0.59 0.00 -0.40 -2.27 0.00 0.00 179.45 178.04 2q96 n ASP 227 N -4.35 2.37 -1.73 4.20 5.68 -1.26 -4.93 116.55 116.52 2q96 n ASP 227 Ca 0.04 -1.90 -0.18 0.00 -0.50 0.00 0.00 54.79 52.24 2q96 n ASP 227 Cb 0.15 -0.23 -0.05 0.00 -1.14 0.00 0.00 41.12 39.85 2q96 n ASP 227 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2q96 n ARG 228 N 0.78 -1.37 -2.07 0.11 5.12 -0.84 -5.00 116.66 113.39 2q96 n ARG 228 Ca 0.16 1.04 -0.28 0.00 -1.93 0.00 0.00 57.85 56.84 2q96 n ARG 228 Cb 0.40 -5.43 0.06 0.00 -1.16 0.00 0.00 32.46 26.33 2q96 n ARG 228 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2q96 s SER 229 N -2.51 5.15 0.61 0.55 1.04 -1.26 -4.78 113.70 112.49 2q96 s SER 229 Ca 0.00 0.82 -0.17 0.00 0.48 0.00 0.00 55.95 57.08 2q96 s SER 229 Cb 0.00 -1.57 -0.03 0.00 0.10 0.00 0.00 66.02 64.53 2q96 s SER 229 CO 0.00 -1.45 1.12 -0.76 0.98 0.00 0.00 173.24 173.13 2q96 s LEU 230 N -5.30 3.55 -0.00 2.42 1.43 -1.26 -4.26 118.68 115.26 2q96 s LEU 230 Ca 0.58 2.09 -0.01 0.00 -1.03 0.00 0.00 54.13 55.77 2q96 s LEU 230 Cb -0.11 -4.57 -0.00 0.00 0.03 0.00 0.00 46.19 41.54 2q96 s LEU 230 CO 0.48 -1.46 0.01 -0.55 0.23 0.00 0.00 176.35 175.06 2q96 s SER 231 N -2.21 0.03 0.08 2.29 0.15 -0.74 -0.17 113.70 113.13 2q96 s SER 231 Ca 0.70 -0.06 0.01 0.00 0.70 0.00 0.00 55.95 57.30 2q96 s SER 231 Cb -0.22 0.06 -0.04 0.00 -1.71 0.00 0.00 66.02 64.11 2q96 s SER 231 CO 0.35 -0.07 -0.06 0.00 1.20 0.00 0.00 173.24 174.66 2q96 s ALA 232 N -0.30 0.82 -0.09 5.45 0.00 0.43 -4.74 121.76 123.33 2q96 s ALA 232 Ca -0.03 -1.20 -0.20 0.00 0.00 0.00 0.00 51.96 50.52 2q96 s ALA 232 Cb -0.02 0.15 0.05 0.00 0.00 0.00 0.00 23.12 23.29 2q96 s ALA 232 CO -0.00 -0.21 0.49 -1.14 0.00 0.00 0.00 175.76 174.90 2q96 s GLN 233 N -3.35 0.75 0.02 0.00 0.74 -1.26 -0.41 119.66 116.15 2q96 s GLN 233 Ca 0.06 0.28 0.01 0.00 0.05 0.00 0.00 55.36 55.76 2q96 s GLN 233 Cb 0.02 0.35 -0.01 0.00 1.10 0.00 0.00 33.01 34.47 2q96 s GLN 233 CO -0.04 -0.18 -0.05 0.71 -0.55 0.00 0.00 175.29 175.17 2q96 s TYR 234 N -0.68 0.45 -0.01 1.67 1.51 -1.24 -4.00 117.35 115.04 2q96 s TYR 234 Ca -0.08 -0.30 -0.01 0.00 -1.01 0.00 0.00 57.07 55.67 2q96 s TYR 234 Cb -0.03 -0.28 0.00 0.00 -0.11 0.00 0.00 41.96 41.54 2q96 s TYR 234 CO 0.04 -0.06 0.03 -2.00 -1.11 0.00 0.00 175.55 172.46 2q96 s GLU 235 N -0.86 0.11 0.02 -0.62 2.12 -0.74 -3.75 118.70 114.98 2q96 s GLU 235 Ca -0.06 -0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.21 2q96 s GLU 235 Cb -0.06 0.04 -0.02 0.00 0.26 0.00 0.00 34.13 34.36 2q96 s GLU 235 CO -0.00 -0.02 -0.03 -1.01 -0.54 0.00 0.00 175.26 173.66 2q96 s HIS 236 N -0.26 0.28 -0.15 5.30 3.76 -0.96 -2.63 115.29 120.62 2q96 s HIS 236 Ca -0.03 -0.41 -0.06 0.00 -0.15 0.00 0.00 55.06 54.41 2q96 s HIS 236 Cb -0.02 -0.19 -0.04 0.00 1.11 0.00 0.00 32.58 33.44 2q96 s HIS 236 CO -0.00 -0.13 0.07 0.99 -0.85 0.00 0.00 174.74 174.82 2q96 s THR 237 N -1.12 4.87 0.17 1.30 2.01 -1.21 -2.38 115.64 119.29 2q96 s THR 237 Ca -0.11 -0.02 0.01 0.00 0.31 0.00 0.00 61.69 61.88 2q96 s THR 237 Cb -0.08 -3.15 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 2q96 s THR 237 CO -0.01 0.53 0.03 0.27 -0.69 0.00 0.00 174.62 174.75 2q96 s ILE 238 N -0.20 0.53 -0.02 1.82 -4.36 -0.25 -0.72 121.20 117.99 2q96 s ILE 238 Ca 0.08 -1.97 0.05 0.00 -0.26 0.00 0.00 60.65 58.55 2q96 s ILE 238 Cb -0.12 -2.17 -0.01 0.00 1.25 0.00 0.00 42.46 41.42 2q96 s ILE 238 CO 0.01 -0.41 -0.17 0.54 0.24 0.00 0.00 174.94 175.15 2q96 s VAL 239 N -3.76 1.34 0.12 8.37 0.11 -0.44 -1.85 120.40 124.29 2q96 s VAL 239 Ca 0.26 -0.70 -0.29 0.00 -2.93 0.00 0.00 61.98 58.32 2q96 s VAL 239 Cb 0.07 -1.13 -0.06 0.00 -1.53 0.00 0.00 36.38 33.72 2q96 s VAL 239 CO 0.05 0.38 0.93 -0.69 -3.33 0.00 0.00 175.10 172.44 2q96 s VAL 240 N -0.20 4.47 0.46 2.04 1.01 0.17 -0.98 120.40 127.37 2q96 s VAL 240 Ca 0.02 2.00 0.03 0.00 0.00 0.00 0.00 61.98 64.04 2q96 s VAL 240 Cb -0.08 -4.29 0.03 0.00 0.00 0.00 0.00 36.38 32.04 2q96 s VAL 240 CO 0.00 0.35 0.25 0.35 0.00 0.00 0.00 175.10 176.06 2q96 n THR 241 N 2.59 0.00 0.13 3.92 -2.24 -0.25 -0.65 114.28 117.79 2q96 n THR 241 Ca 0.01 -1.93 0.03 0.00 -2.27 0.00 0.00 64.05 59.89 2q96 n THR 241 Cb 0.49 0.05 0.41 0.00 -2.10 0.00 0.00 70.33 69.18 2q96 n THR 241 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2q96 h ASP 242 N 0.70 0.19 0.00 3.42 3.32 -1.96 -3.25 116.42 118.83 2q96 h ASP 242 Ca -0.32 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 56.68 2q96 h ASP 242 Cb 1.09 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 2q96 h ASP 242 CO 0.51 0.34 -0.30 -0.46 -1.72 0.00 0.00 179.24 177.61 2q96 n ASN 243 N -4.29 1.58 0.00 6.45 0.23 -1.26 -4.67 115.26 113.31 2q96 n ASN 243 Ca -0.01 -2.91 0.00 0.00 -0.53 0.00 0.00 54.58 51.13 2q96 n ASN 243 Cb 0.26 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.57 2q96 n ASN 243 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2q96 n GLY 244 N -0.89 -0.55 3.58 4.83 0.00 -1.23 0.41 105.19 111.35 2q96 n GLY 244 Ca 0.12 0.06 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 2q96 n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q96 s GLU 246 N -3.97 1.45 -0.15 0.00 2.12 -0.15 -1.37 118.70 116.63 2q96 s GLU 246 Ca 0.18 -0.29 -0.26 0.00 0.36 0.00 0.00 54.97 54.96 2q96 s GLU 246 Cb -0.01 -1.34 -0.02 0.00 0.26 0.00 0.00 34.13 33.03 2q96 s GLU 246 CO 0.05 -0.09 0.85 0.42 -0.54 0.00 0.00 175.26 175.95 2q96 s ILE 247 N 1.07 4.88 -0.90 -3.70 1.01 0.57 -1.33 121.20 122.80 2q96 s ILE 247 Ca -0.07 1.68 0.23 0.00 0.00 0.00 0.00 60.65 62.49 2q96 s ILE 247 Cb -0.14 -4.16 -0.11 0.00 0.01 0.00 0.00 42.46 38.06 2q96 s ILE 247 CO -0.01 0.05 1.13 0.18 0.00 0.00 0.00 174.94 176.29 2q96 n LEU 248 N 5.03 0.70 -0.60 2.97 4.77 0.10 -4.29 117.00 125.68 2q96 n LEU 248 Ca 0.05 -0.18 0.05 0.00 -0.03 0.00 0.00 56.01 55.90 2q96 n LEU 248 Cb 0.49 -0.12 0.20 0.00 -2.33 0.00 0.00 43.42 41.66 2q96 n LEU 248 CO 0.49 0.15 0.42 0.35 -1.33 0.00 0.00 177.39 177.47 2q96 n THR 249 N -1.62 2.21 -1.95 -5.08 -2.24 -1.23 -2.99 114.28 101.37 2q96 n THR 249 Ca 0.04 -3.06 -0.39 0.00 -2.27 0.00 0.00 64.05 58.37 2q96 n THR 249 Cb 0.36 -0.25 0.01 0.00 -2.10 0.00 0.00 70.33 68.35 2q96 n THR 249 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2q96 s LEU 250 N -3.19 4.09 0.36 3.22 2.96 -1.26 -4.66 118.68 120.20 2q96 s LEU 250 Ca 0.38 2.71 0.08 0.00 -0.22 0.00 0.00 54.13 57.08 2q96 s LEU 250 Cb 0.36 -4.03 -0.06 0.00 0.50 0.00 0.00 46.19 42.96 2q96 s LEU 250 CO -0.05 -1.10 0.01 -0.13 -1.32 0.00 0.00 176.35 173.76 2q96 s ARG 251 N -2.49 2.01 0.38 1.98 0.52 -1.26 -4.92 118.95 115.18 2q96 s ARG 251 Ca 0.62 -1.88 0.05 0.00 -0.52 0.00 0.00 55.73 54.00 2q96 s ARG 251 Cb -0.39 -1.83 0.77 0.00 0.52 0.00 0.00 34.95 34.02 2q96 s ARG 251 CO 0.49 0.07 2.03 -0.22 0.02 0.00 0.00 175.30 177.69 2q96 h LYS 252 N 1.80 0.67 0.00 3.54 1.63 -1.96 -2.19 116.57 120.06 2q96 h LYS 252 Ca -0.43 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 2q96 h LYS 252 Cb 1.25 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 2q96 h LYS 252 CO 0.71 0.44 -0.03 -0.40 -3.45 0.00 0.00 179.45 176.72 2q96 n ASP 253 N -4.46 0.30 -4.75 4.20 5.75 -1.26 -4.84 116.55 111.49 2q96 n ASP 253 Ca 0.05 0.49 -0.37 0.00 -0.01 0.00 0.00 54.79 54.95 2q96 n ASP 253 Cb 0.07 -0.56 0.03 0.00 -1.03 0.00 0.00 41.12 39.64 2q96 n ASP 253 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2q96 s ASP 254 N -3.54 5.30 -0.23 -1.12 1.01 -0.82 -4.94 116.67 112.33 2q96 s ASP 254 Ca 0.13 2.50 0.10 0.00 0.71 0.00 0.00 52.55 55.98 2q96 s ASP 254 Cb 0.17 -2.61 0.43 0.00 1.01 0.00 0.00 42.92 41.92 2q96 s ASP 254 CO 0.56 -1.53 1.21 0.35 0.21 0.00 0.00 175.17 175.98 2q96 n THR 255 N -1.31 2.26 -4.44 -1.27 -2.24 -1.26 -4.94 114.28 101.08 2q96 n THR 255 Ca 0.12 -3.49 -0.20 0.00 -2.27 0.00 0.00 64.05 58.21 2q96 n THR 255 Cb 0.48 -0.47 -0.14 0.00 -2.10 0.00 0.00 70.33 68.10 2q96 n THR 255 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2q96 s ILE 256 N -3.59 0.96 0.51 2.28 2.07 -1.26 -5.14 121.20 117.04 2q96 s ILE 256 Ca 0.42 -0.69 -0.23 0.00 -1.41 0.00 0.00 60.65 58.74 2q96 s ILE 256 Cb 0.38 -0.84 -0.06 0.00 0.13 0.00 0.00 42.46 42.08 2q96 s ILE 256 CO -0.04 0.15 1.33 -2.84 -1.91 0.00 0.00 174.94 171.63 2q96 s PRO 257 N -0.61 3.34 0.16 3.50 0.02 -1.26 -4.94 135.00 135.21 2q96 s PRO 257 Ca 0.03 2.18 -0.11 0.00 0.02 0.00 0.00 61.00 63.12 2q96 s PRO 257 Cb -0.06 -2.35 0.02 0.00 0.02 0.00 0.00 34.50 32.13 2q96 s PRO 257 CO 0.00 -1.01 1.58 0.00 -0.33 0.00 0.00 177.00 177.24 2q96 h ALA 258 N 1.71 0.70 -3.03 -1.55 0.00 -1.96 -3.40 119.26 111.73 2q96 h ALA 258 Ca -0.51 -0.34 -0.68 0.00 0.00 0.00 0.00 54.91 53.39 2q96 h ALA 258 Cb 1.28 -0.18 -0.26 0.00 0.00 0.00 0.00 17.79 18.63 2q96 h ALA 258 CO 0.58 0.60 -0.63 0.42 0.00 0.00 0.00 179.25 180.23 2q96 s ILE 259 N -4.85 3.92 -0.23 0.00 1.01 -1.26 -0.32 121.20 119.47 2q96 s ILE 259 Ca -0.12 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 59.76 2q96 s ILE 259 Cb 0.12 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.55 2q96 s ILE 259 CO 0.85 0.09 0.05 -0.63 0.00 0.00 0.00 174.94 175.30 2q96 s ILE 260 N 1.49 4.26 0.07 2.92 1.01 -0.47 -5.03 121.20 125.45 2q96 s ILE 260 Ca 0.02 -0.20 0.07 0.00 0.00 0.00 0.00 60.65 60.55 2q96 s ILE 260 Cb -0.17 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 2q96 s ILE 260 CO 0.02 0.37 -0.15 -0.44 0.00 0.00 0.00 174.94 174.74 2q96 s SER 261 N 1.36 4.03 0.00 3.58 0.01 -1.26 -2.15 113.70 119.26 2q96 s SER 261 Ca 0.05 -0.42 0.02 0.00 1.31 0.00 0.00 55.95 56.91 2q96 s SER 261 Cb -0.15 -0.69 0.06 0.00 0.21 0.00 0.00 66.02 65.46 2q96 s SER 261 CO 0.03 0.22 0.99 1.41 0.41 0.00 0.00 173.24 176.30 2q96 n HIS 262 N 1.18 0.09 -2.84 2.43 8.25 0.17 -4.97 115.22 119.53 2q96 n HIS 262 Ca -0.15 -0.43 -0.26 0.00 -0.26 0.00 0.00 57.72 56.61 2q96 n HIS 262 Cb 0.52 -0.04 -0.00 0.00 1.12 0.00 0.00 29.99 31.59 2q96 n HIS 262 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2q96 s ASP 263 N -0.89 6.20 0.00 0.41 1.01 -1.26 -5.07 116.67 117.06 2q96 s ASP 263 Ca 0.05 0.75 0.29 0.00 0.71 0.00 0.00 52.55 54.34 2q96 s ASP 263 Cb 0.03 -2.11 1.18 0.00 1.01 0.00 0.00 42.92 43.03 2q96 s ASP 263 CO 0.03 -0.55 1.82 -0.62 0.21 0.00 0.00 175.17 176.07