#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bs4 s THR 2 N 0.00 3.89 0.19 3.17 -4.23 -1.26 -4.97 115.64 112.43 2bs4 s THR 2 Ca 0.00 -1.39 -0.12 0.00 -1.18 0.00 0.00 61.69 59.00 2bs4 s THR 2 Cb 0.00 -3.27 0.11 0.00 1.34 0.00 0.00 72.50 70.68 2bs4 s THR 2 CO 0.00 -0.25 1.73 0.78 -0.54 0.00 0.00 174.62 176.34 2bs4 h ASN 3 N 1.35 0.09 -0.89 3.99 2.35 -2.05 0.13 115.58 120.55 2bs4 h ASN 3 Ca -0.46 0.08 0.08 0.00 -0.55 0.00 0.00 56.30 55.44 2bs4 h ASN 3 Cb 1.25 0.09 -0.07 0.00 0.05 0.00 0.00 38.32 39.64 2bs4 h ASN 3 CO 0.59 0.08 0.55 1.05 -1.65 0.00 0.00 177.43 178.05 2bs4 h GLU 4 N 0.30 0.93 0.00 0.81 9.09 -1.98 0.65 114.58 124.39 2bs4 h GLU 4 Ca 0.25 -0.06 -0.09 0.00 0.05 0.00 0.00 59.36 59.51 2bs4 h GLU 4 Cb 0.32 -0.21 -0.01 0.00 -1.65 0.00 0.00 28.75 27.19 2bs4 h GLU 4 CO -0.30 0.62 -0.45 0.66 0.05 0.00 0.00 179.01 179.59 2bs4 h SER 5 N 0.96 0.00 -0.03 3.06 4.64 -1.51 0.35 113.55 121.02 2bs4 h SER 5 Ca 0.41 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.71 2bs4 h SER 5 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2bs4 h SER 5 CO -0.20 0.45 -0.06 0.40 -0.87 0.00 0.00 176.83 176.55 2bs4 h ILE 6 N 0.00 1.44 -0.63 0.95 1.08 0.13 -0.96 117.51 119.53 2bs4 h ILE 6 Ca -0.00 -1.41 0.00 0.00 -0.39 0.00 0.00 64.86 63.06 2bs4 h ILE 6 Cb 0.89 2.32 -0.03 0.00 -3.07 0.00 0.00 36.82 36.93 2bs4 h ILE 6 CO 0.06 0.38 0.41 -0.07 -0.69 0.00 0.00 178.15 178.23 2bs4 h LEU 7 N -0.45 0.74 -0.39 1.44 3.38 0.43 -0.37 115.31 120.09 2bs4 h LEU 7 Ca 0.00 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2bs4 h LEU 7 Cb 0.64 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2bs4 h LEU 7 CO 0.01 0.55 0.04 -0.08 0.09 0.00 0.00 178.44 179.06 2bs4 h GLU 8 N 0.86 0.65 -0.30 1.13 4.81 -0.32 0.24 114.58 121.65 2bs4 h GLU 8 Ca 0.23 -0.19 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 2bs4 h GLU 8 Cb -0.07 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 2bs4 h GLU 8 CO -0.05 0.73 0.13 0.77 -0.73 0.00 0.00 179.01 179.86 2bs4 h SER 9 N 0.49 0.17 1.40 1.04 0.02 -0.79 0.95 113.55 116.83 2bs4 h SER 9 Ca 0.11 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 2bs4 h SER 9 Cb 0.40 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2bs4 h SER 9 CO 0.01 0.14 -0.63 1.88 -1.14 0.00 0.00 176.83 177.09 2bs4 h TYR 10 N 0.28 0.00 0.00 3.45 -1.99 -1.00 -3.36 116.97 114.35 2bs4 h TYR 10 Ca 0.13 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.86 2bs4 h TYR 10 Cb 0.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.80 2bs4 h TYR 10 CO -0.12 0.37 -1.89 -1.13 -0.00 0.00 0.00 178.16 175.39 2bs4 n SER 11 N -3.08 0.51 0.00 3.88 3.41 0.85 -4.97 113.62 114.21 2bs4 n SER 11 Ca 0.00 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2bs4 n SER 11 Cb 0.70 1.89 0.00 0.00 -0.26 0.00 0.00 64.21 66.54 2bs4 n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bs4 n GLY 12 N 1.39 1.53 3.32 5.00 0.00 0.32 -5.00 105.19 111.75 2bs4 n GLY 12 Ca -0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 2bs4 n GLY 12 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bs4 s VAL 13 N -2.94 0.39 0.86 1.61 -7.23 -1.24 -4.77 120.40 107.08 2bs4 s VAL 13 Ca 0.00 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.04 2bs4 s VAL 13 Cb 0.00 -2.56 0.11 0.00 0.56 0.00 0.00 36.38 34.49 2bs4 s VAL 13 CO 0.00 0.00 1.19 0.42 -0.31 0.00 0.00 175.10 176.40 2bs4 s THR 14 N -3.70 1.99 0.40 5.32 -4.23 0.13 -3.52 115.64 112.02 2bs4 s THR 14 Ca 0.37 0.00 0.38 0.00 -1.18 0.00 0.00 61.69 61.26 2bs4 s THR 14 Cb 0.06 -2.95 0.38 0.00 1.34 0.00 0.00 72.50 71.34 2bs4 s THR 14 CO 0.16 0.00 2.17 -0.65 -0.54 0.00 0.00 174.62 175.75 2bs4 h PRO 15 N -1.24 0.00 -0.38 3.99 0.11 -1.87 0.27 132.00 132.88 2bs4 h PRO 15 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2bs4 h PRO 15 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2bs4 h PRO 15 CO 0.61 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.79 2bs4 n GLU 16 N -2.86 2.09 -3.16 1.05 1.02 -1.26 -4.93 120.64 112.60 2bs4 n GLU 16 Ca -0.02 -1.67 -0.14 0.00 -0.02 0.00 0.00 57.16 55.30 2bs4 n GLU 16 Cb 0.08 -1.41 0.07 0.00 -0.02 0.00 0.00 31.44 30.15 2bs4 n GLU 16 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2bs4 n ARG 17 N 0.87 -5.36 -4.22 3.49 0.63 0.96 -5.04 116.66 107.99 2bs4 n ARG 17 Ca 0.17 0.65 -0.16 0.00 -0.92 0.00 0.00 57.85 57.59 2bs4 n ARG 17 Cb 0.43 -5.10 -0.11 0.00 0.45 0.00 0.00 32.46 28.13 2bs4 n ARG 17 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2bs4 s LYS 18 N -5.28 0.97 0.39 -0.14 1.02 -1.25 -4.86 119.74 110.59 2bs4 s LYS 18 Ca 0.11 -1.25 -0.24 0.00 0.02 0.00 0.00 55.97 54.61 2bs4 s LYS 18 Cb -0.05 -0.73 -0.09 0.00 -0.52 0.00 0.00 37.83 36.44 2bs4 s LYS 18 CO 0.56 0.13 1.05 0.15 -0.92 0.00 0.00 175.35 176.31 2bs4 s LYS 19 N -2.88 4.20 0.74 1.68 1.02 -1.26 0.18 119.74 123.42 2bs4 s LYS 19 Ca 0.09 1.51 -0.16 0.00 0.02 0.00 0.00 55.97 57.44 2bs4 s LYS 19 Cb -0.03 -2.58 -0.01 0.00 -0.52 0.00 0.00 37.83 34.69 2bs4 s LYS 19 CO 0.02 -0.11 0.69 0.45 -0.92 0.00 0.00 175.35 175.48 2bs4 n SER 20 N 0.01 -0.62 -0.58 2.83 2.88 -1.26 -4.84 113.62 112.03 2bs4 n SER 20 Ca 0.05 0.60 0.10 0.00 -1.33 0.00 0.00 58.87 58.28 2bs4 n SER 20 Cb 0.49 -1.29 0.03 0.00 -0.75 0.00 0.00 64.21 62.70 2bs4 n SER 20 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2bs4 n ARG 21 N -1.28 1.61 -0.15 -1.46 3.00 -1.26 -4.52 116.66 112.60 2bs4 n ARG 21 Ca 0.11 -1.23 -0.03 0.00 -0.01 0.00 0.00 57.85 56.69 2bs4 n ARG 21 Cb 0.50 -1.38 0.05 0.00 0.00 0.00 0.00 32.46 31.63 2bs4 n ARG 21 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.63 178.15 2bs4 h MET 22 N 2.87 0.07 -0.98 5.56 2.86 -1.99 -0.47 114.93 122.86 2bs4 h MET 22 Ca 0.00 -0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.84 2bs4 h MET 22 Cb 0.73 -0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.28 2bs4 h MET 22 CO 0.00 0.05 0.62 -1.35 1.06 0.00 0.00 176.91 177.29 2bs4 h PRO 23 N 0.08 0.58 0.10 -0.22 0.11 -1.99 0.56 132.00 131.22 2bs4 h PRO 23 Ca 0.24 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 2bs4 h PRO 23 Cb 0.36 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.34 2bs4 h PRO 23 CO -0.43 0.38 -0.05 0.00 -0.21 0.00 0.00 178.00 177.69 2bs4 h ALA 24 N 1.63 -0.14 -0.63 -0.75 0.00 -1.43 -1.20 119.26 116.74 2bs4 h ALA 24 Ca 0.54 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.29 2bs4 h ALA 24 Cb 1.07 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2bs4 h ALA 24 CO -0.30 -0.40 0.40 0.87 0.00 0.00 0.00 179.25 179.82 2bs4 h LYS 25 N -0.50 0.77 -0.94 0.00 1.57 -0.27 -1.20 116.57 116.00 2bs4 h LYS 25 Ca -0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2bs4 h LYS 25 Cb 0.41 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 2bs4 h LYS 25 CO 0.02 0.51 0.55 -0.07 -0.57 0.00 0.00 179.45 179.89 2bs4 h LEU 26 N 0.80 1.14 -0.30 2.94 3.38 0.10 -1.65 115.31 121.72 2bs4 h LEU 26 Ca 0.25 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 2bs4 h LEU 26 Cb -0.02 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2bs4 h LEU 26 CO -0.08 0.88 0.07 -0.78 0.09 0.00 0.00 178.44 178.62 2bs4 h ASP 27 N 1.30 0.46 0.34 -0.43 3.58 -0.62 -2.36 116.42 118.69 2bs4 h ASP 27 Ca 0.33 -0.24 -0.00 0.00 0.42 0.00 0.00 57.03 57.55 2bs4 h ASP 27 Cb -0.03 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 40.87 2bs4 h ASP 27 CO -0.06 0.58 -0.45 -0.25 -2.88 0.00 0.00 179.24 176.18 2bs4 h TRP 28 N 0.32 -1.26 -0.53 0.28 7.01 -0.83 -2.70 115.95 118.24 2bs4 h TRP 28 Ca 0.09 0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.16 2bs4 h TRP 28 Cb 0.30 0.50 -0.03 0.00 -2.10 0.00 0.00 29.16 27.84 2bs4 h TRP 28 CO 0.02 -0.59 0.35 -1.49 -2.79 0.00 0.00 178.44 173.94 2bs4 h TRP 29 N -0.84 0.51 -0.40 2.65 4.06 -1.31 0.56 115.95 121.19 2bs4 h TRP 29 Ca -0.03 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 2bs4 h TRP 29 Cb 0.77 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.74 2bs4 h TRP 29 CO -0.29 0.28 0.22 0.37 -3.56 0.00 0.00 178.44 175.47 2bs4 h GLN 30 N 0.51 0.55 -0.33 0.49 4.15 -1.12 0.59 115.11 119.95 2bs4 h GLN 30 Ca 0.23 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.51 2bs4 h GLN 30 Cb 0.25 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 2bs4 h GLN 30 CO -0.06 0.43 -0.09 0.77 -1.93 0.00 0.00 178.83 177.95 2bs4 h SER 31 N 0.51 0.65 0.25 -0.69 0.02 -1.01 -1.03 113.55 112.26 2bs4 h SER 31 Ca 0.14 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2bs4 h SER 31 Cb 0.04 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 2bs4 h SER 31 CO -0.02 0.87 -0.27 0.00 -1.14 0.00 0.00 176.83 176.27 2bs4 h ALA 32 N 0.81 -0.55 -0.68 3.77 0.00 -0.68 0.57 119.26 122.50 2bs4 h ALA 32 Ca 0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2bs4 h ALA 32 Cb 0.59 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2bs4 h ALA 32 CO 0.03 -0.84 0.31 1.79 0.00 0.00 0.00 179.25 180.54 2bs4 h THR 33 N -0.56 1.22 -0.69 0.00 1.35 -0.91 0.31 112.91 113.64 2bs4 h THR 33 Ca -0.00 -0.65 -0.07 0.00 -0.55 0.00 0.00 66.41 65.14 2bs4 h THR 33 Cb 0.52 0.37 -0.03 0.00 -1.73 0.00 0.00 68.15 67.29 2bs4 h THR 33 CO -0.07 0.27 0.14 1.23 -0.25 0.00 0.00 175.52 176.84 2bs4 h GLY 34 N 1.04 1.21 1.28 5.82 0.00 -0.64 -1.53 103.07 110.24 2bs4 h GLY 34 Ca 0.23 -0.78 -0.10 0.00 0.00 0.00 0.00 47.33 46.69 2bs4 h GLY 34 CO -0.03 0.72 -0.09 -2.00 0.00 0.00 0.00 176.54 175.14 2bs4 h LEU 35 N 1.05 0.84 0.12 3.11 5.85 0.99 -0.72 115.31 126.56 2bs4 h LEU 35 Ca 0.21 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2bs4 h LEU 35 Cb 0.41 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.21 2bs4 h LEU 35 CO 0.01 0.96 -0.06 0.15 -0.34 0.00 0.00 178.44 179.16 2bs4 h PHE 36 N 0.77 -0.15 -0.48 1.25 3.57 -0.67 -1.21 116.94 120.02 2bs4 h PHE 36 Ca 0.13 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.64 2bs4 h PHE 36 Cb 0.60 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 2bs4 h PHE 36 CO 0.03 0.16 0.32 -0.07 -2.23 0.00 0.00 178.31 176.52 2bs4 h LEU 37 N -0.48 0.53 0.75 0.59 3.38 -1.25 0.49 115.31 119.33 2bs4 h LEU 37 Ca -0.02 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2bs4 h LEU 37 Cb 0.38 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.01 2bs4 h LEU 37 CO 0.03 0.38 -0.36 1.23 0.09 0.00 0.00 178.44 179.81 2bs4 h GLY 38 N 0.63 -1.05 0.97 0.83 0.00 -0.87 -1.59 103.07 101.99 2bs4 h GLY 38 Ca 0.18 0.39 0.01 0.00 0.00 0.00 0.00 47.33 47.90 2bs4 h GLY 38 CO -0.04 -0.38 0.12 1.41 0.00 0.00 0.00 176.54 177.65 2bs4 h LEU 39 N -1.08 0.20 -0.79 3.11 3.38 -1.01 -2.61 115.31 116.51 2bs4 h LEU 39 Ca -0.10 -0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.05 2bs4 h LEU 39 Cb 0.79 -0.04 -0.13 0.00 0.09 0.00 0.00 40.66 41.37 2bs4 h LEU 39 CO 0.17 0.15 0.13 0.15 0.09 0.00 0.00 178.44 179.13 2bs4 h PHE 40 N 0.25 0.18 -0.36 1.13 3.57 -0.84 0.07 116.94 120.93 2bs4 h PHE 40 Ca 0.08 0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 2bs4 h PHE 40 Cb -0.01 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2bs4 h PHE 40 CO -0.08 -0.18 -0.05 0.52 -2.23 0.00 0.00 178.31 176.29 2bs4 h MET 41 N 0.19 0.60 0.79 1.11 2.86 -0.92 0.32 114.93 119.88 2bs4 h MET 41 Ca 0.46 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.90 2bs4 h MET 41 Cb 0.84 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.43 2bs4 h MET 41 CO -0.61 0.66 -0.43 0.82 1.06 0.00 0.00 176.91 178.40 2bs4 h ILE 42 N 0.56 0.12 -0.11 -1.22 1.08 -0.74 0.33 117.51 117.53 2bs4 h ILE 42 Ca 0.11 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.62 2bs4 h ILE 42 Cb 0.43 0.12 -0.04 0.00 -3.07 0.00 0.00 36.82 34.26 2bs4 h ILE 42 CO 0.02 0.00 -0.13 1.23 -0.69 0.00 0.00 178.15 178.58 2bs4 h GLY 43 N -1.13 -0.06 -0.04 5.37 0.00 -1.27 -2.06 103.07 103.88 2bs4 h GLY 43 Ca -0.10 0.16 0.19 0.00 0.00 0.00 0.00 47.33 47.57 2bs4 h GLY 43 CO 0.14 -0.13 0.38 0.84 0.00 0.00 0.00 176.54 177.77 2bs4 h HIS 44 N -0.16 0.65 -0.43 5.60 -0.00 -0.20 0.11 115.15 120.71 2bs4 h HIS 44 Ca 0.08 0.04 0.03 0.00 -0.00 0.00 0.00 60.37 60.52 2bs4 h HIS 44 Cb 0.28 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.52 2bs4 h HIS 44 CO -0.24 0.02 0.28 0.52 -0.00 0.00 0.00 177.93 178.52 2bs4 h MET 45 N 0.46 0.46 0.19 5.26 2.07 -0.19 -1.92 114.93 121.26 2bs4 h MET 45 Ca 0.51 -0.03 -0.01 0.00 -2.07 0.00 0.00 59.70 58.10 2bs4 h MET 45 Cb 0.89 -0.10 0.00 0.00 -1.87 0.00 0.00 31.60 30.52 2bs4 h MET 45 CO -0.47 0.30 -0.09 0.74 1.07 0.00 0.00 176.91 178.46 2bs4 h PHE 46 N 0.47 -0.23 -0.00 -0.22 0.04 -0.71 -2.94 116.94 113.35 2bs4 h PHE 46 Ca 0.17 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.94 2bs4 h PHE 46 Cb 0.10 0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.33 2bs4 h PHE 46 CO -0.00 -0.14 0.27 0.74 -0.60 0.00 0.00 178.31 178.57 2bs4 h PHE 47 N -1.04 0.00 0.00 -0.55 -1.00 -1.34 0.27 116.94 113.28 2bs4 h PHE 47 Ca -0.03 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.65 2bs4 h PHE 47 Cb 0.19 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.73 2bs4 h PHE 47 CO 0.00 0.00 -1.49 0.28 -1.61 0.00 0.00 178.31 175.49 2bs4 n VAL 48 N -2.93 0.82 1.57 -0.55 0.31 -0.73 -3.98 118.33 112.84 2bs4 n VAL 48 Ca -0.02 -0.63 0.14 0.00 -0.01 0.00 0.00 64.34 63.82 2bs4 n VAL 48 Cb 0.32 -0.46 0.58 0.00 -0.91 0.00 0.00 33.84 33.37 2bs4 n VAL 48 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2bs4 n SER 49 N -2.70 1.24 0.20 4.52 3.41 0.91 -4.10 113.62 117.11 2bs4 n SER 49 Ca -0.08 -1.44 0.13 0.00 -0.26 0.00 0.00 58.87 57.22 2bs4 n SER 49 Cb 0.73 -0.01 0.68 0.00 -0.26 0.00 0.00 64.21 65.35 2bs4 n SER 49 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2bs4 h THR 50 N 1.91 0.00 0.00 6.66 1.35 -1.59 -1.56 112.91 119.68 2bs4 h THR 50 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2bs4 h THR 50 Cb 0.41 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 2bs4 h THR 50 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 2bs4 n ILE 51 N -2.40 1.04 1.02 6.82 3.06 -1.26 -0.74 119.36 126.90 2bs4 n ILE 51 Ca -0.02 0.26 0.14 0.00 -2.50 0.00 0.00 62.75 60.63 2bs4 n ILE 51 Cb 0.10 -1.05 0.61 0.00 0.54 0.00 0.00 39.64 39.83 2bs4 n ILE 51 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 2bs4 n LEU 52 N -1.44 0.03 -1.08 9.51 4.77 -0.59 -2.93 117.00 125.27 2bs4 n LEU 52 Ca 0.04 0.46 0.08 0.00 -0.03 0.00 0.00 56.01 56.56 2bs4 n LEU 52 Cb 0.13 -0.48 0.29 0.00 -2.33 0.00 0.00 43.42 41.03 2bs4 n LEU 52 CO 0.11 0.01 0.74 0.18 -1.33 0.00 0.00 177.39 177.09 2bs4 n LEU 53 N -1.49 4.23 0.00 2.23 4.77 0.08 -5.07 117.00 121.76 2bs4 n LEU 53 Ca 0.07 -3.00 0.00 0.00 -0.03 0.00 0.00 56.01 53.05 2bs4 n LEU 53 Cb 0.34 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2bs4 n LEU 53 CO 0.27 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 2bs4 n GLY 54 N -0.30 0.81 0.38 -0.72 0.00 -1.15 -4.46 105.19 99.75 2bs4 n GLY 54 Ca 0.23 -1.54 0.20 0.00 0.00 0.00 0.00 46.02 44.90 2bs4 n GLY 54 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2bs4 h ASP 55 N 0.00 0.00 -0.46 1.61 3.45 -1.88 -1.38 116.42 117.76 2bs4 h ASP 55 Ca 0.00 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.38 2bs4 h ASP 55 Cb 0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 2bs4 h ASP 55 CO 0.00 0.00 0.02 0.78 -1.57 0.00 0.00 179.24 178.47 2bs4 h ASN 56 N 0.00 0.83 0.42 6.45 2.35 -1.96 0.17 115.58 123.84 2bs4 h ASN 56 Ca 0.24 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 2bs4 h ASN 56 Cb 1.00 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.15 2bs4 h ASN 56 CO -0.00 0.88 -0.20 0.58 -1.65 0.00 0.00 177.43 177.04 2bs4 h VAL 57 N 0.81 0.28 -0.46 2.81 2.07 -1.48 -0.07 116.25 120.22 2bs4 h VAL 57 Ca 0.16 -0.62 0.08 0.00 0.82 0.00 0.00 66.70 67.14 2bs4 h VAL 57 Cb 0.45 0.44 -0.10 0.00 -1.52 0.00 0.00 31.29 30.57 2bs4 h VAL 57 CO 0.02 0.06 -0.38 -0.03 0.02 0.00 0.00 177.57 177.26 2bs4 h MET 58 N -1.05 -0.25 -0.56 1.57 1.85 -1.46 0.50 114.93 115.53 2bs4 h MET 58 Ca -0.06 0.02 0.03 0.00 -0.61 0.00 0.00 59.70 59.08 2bs4 h MET 58 Cb 0.53 0.06 -0.03 0.00 0.43 0.00 0.00 31.60 32.58 2bs4 h MET 58 CO 0.09 -0.17 0.37 1.25 -0.40 0.00 0.00 176.91 178.06 2bs4 h LEU 59 N -0.26 0.56 -0.43 3.39 5.85 -0.72 0.16 115.31 123.86 2bs4 h LEU 59 Ca 0.17 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 2bs4 h LEU 59 Cb 0.56 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2bs4 h LEU 59 CO -0.59 0.38 -0.10 -0.25 -0.34 0.00 0.00 178.44 177.54 2bs4 h TRP 60 N 0.65 0.92 0.33 1.25 7.01 0.16 -1.82 115.95 124.45 2bs4 h TRP 60 Ca 0.22 -0.20 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 2bs4 h TRP 60 Cb 0.09 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 26.93 2bs4 h TRP 60 CO -0.00 0.93 -0.16 0.28 -2.79 0.00 0.00 178.44 176.70 2bs4 h VAL 61 N 0.65 0.69 -0.75 2.65 2.07 0.81 -2.47 116.25 119.91 2bs4 h VAL 61 Ca 0.11 -0.35 0.17 0.00 0.82 0.00 0.00 66.70 67.45 2bs4 h VAL 61 Cb 0.63 0.88 -0.12 0.00 -1.52 0.00 0.00 31.29 31.15 2bs4 h VAL 61 CO 0.04 0.07 0.07 0.74 0.02 0.00 0.00 177.57 178.51 2bs4 h THR 62 N -0.63 0.40 -0.36 2.57 2.02 -0.68 -1.08 112.91 115.14 2bs4 h THR 62 Ca -0.05 -0.05 -0.09 0.00 0.77 0.00 0.00 66.41 66.99 2bs4 h THR 62 Cb 0.45 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 2bs4 h THR 62 CO 0.07 0.03 -0.16 0.11 0.37 0.00 0.00 175.52 175.95 2bs4 h LYS 63 N 0.15 0.66 -0.42 6.66 1.57 -1.25 -3.13 116.57 120.82 2bs4 h LYS 63 Ca 0.42 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.88 2bs4 h LYS 63 Cb 0.74 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 2bs4 h LYS 63 CO -0.61 0.79 -0.09 0.87 -0.57 0.00 0.00 179.45 179.84 2bs4 h LYS 64 N 0.60 0.73 -0.28 3.15 1.57 -0.72 -1.59 116.57 120.03 2bs4 h LYS 64 Ca 0.10 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 2bs4 h LYS 64 Cb 0.61 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 2bs4 h LYS 64 CO 0.04 0.80 -0.03 0.74 -0.57 0.00 0.00 179.45 180.44 2bs4 h PHE 65 N 0.66 0.44 0.00 -1.35 -1.00 -1.43 0.94 116.94 115.20 2bs4 h PHE 65 Ca 0.12 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.86 2bs4 h PHE 65 Cb 0.55 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 39.98 2bs4 h PHE 65 CO 0.03 0.46 0.00 0.39 -1.61 0.00 0.00 178.31 177.58 2bs4 n GLU 66 N -4.29 1.00 -3.72 1.51 1.02 -0.98 -4.56 120.64 110.62 2bs4 n GLU 66 Ca 0.01 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 2bs4 n GLU 66 Cb 0.24 -1.45 0.03 0.00 -0.02 0.00 0.00 31.44 30.23 2bs4 n GLU 66 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2bs4 n LEU 67 N 0.05 -3.04 -0.16 -4.62 4.77 0.32 -1.38 117.00 112.94 2bs4 n LEU 67 Ca 0.00 -0.88 -0.04 0.00 -0.03 0.00 0.00 56.01 55.06 2bs4 n LEU 67 Cb 0.27 -2.56 0.03 0.00 -2.33 0.00 0.00 43.42 38.82 2bs4 n LEU 67 CO 0.00 0.41 0.71 -0.78 -1.33 0.00 0.00 177.39 176.40 2bs4 h ASP 68 N -1.82 -0.72 0.00 -1.43 1.82 -1.33 -1.66 116.42 111.27 2bs4 h ASP 68 Ca -0.62 0.18 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 2bs4 h ASP 68 Cb 1.36 0.41 0.00 0.00 0.68 0.00 0.00 39.33 41.77 2bs4 h ASP 68 CO 0.55 -0.24 0.00 2.22 -1.61 0.00 0.00 179.24 180.17 2bs4 n PHE 69 N -5.40 0.00 0.00 0.28 1.16 -1.26 -2.58 117.46 109.66 2bs4 n PHE 69 Ca 0.04 -0.32 0.00 0.00 -1.87 0.00 0.00 57.45 55.30 2bs4 n PHE 69 Cb 0.31 -0.22 0.00 0.00 -1.61 0.00 0.00 39.48 37.96 2bs4 n PHE 69 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 2bs4 n ILE 70 N 0.93 0.00 -4.42 1.97 5.41 -0.68 -5.14 119.36 117.43 2bs4 n ILE 70 Ca 0.00 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.54 2bs4 n ILE 70 Cb 0.27 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 39.10 2bs4 n ILE 70 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 2bs4 s PHE 71 N -0.97 1.93 0.00 1.39 0.40 -0.85 -5.06 117.98 114.82 2bs4 s PHE 71 Ca 0.00 -0.66 0.00 0.00 -0.60 0.00 0.00 56.93 55.67 2bs4 s PHE 71 Cb 0.00 -1.05 0.00 0.00 0.51 0.00 0.00 43.02 42.48 2bs4 s PHE 71 CO 0.00 0.31 0.00 -1.91 0.70 0.00 0.00 175.22 174.32 2bs4 n GLU 72 N -0.55 0.00 -0.26 0.44 2.13 -1.26 -3.10 120.64 118.04 2bs4 n GLU 72 Ca -0.06 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.87 2bs4 n GLU 72 Cb 0.63 -0.16 0.25 0.00 0.27 0.00 0.00 31.44 32.43 2bs4 n GLU 72 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bs4 n GLY 73 N 0.00 2.10 0.00 8.31 0.00 -1.23 -4.96 105.19 109.41 2bs4 n GLY 73 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2bs4 n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bs4 n GLY 74 N 1.43 -0.03 3.51 -0.02 0.00 -1.18 -4.65 105.19 104.26 2bs4 n GLY 74 Ca 0.20 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 2bs4 n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bs4 s LYS 75 N -4.83 3.31 0.53 1.61 1.02 -0.48 -4.54 119.74 116.36 2bs4 s LYS 75 Ca 0.00 -0.33 0.33 0.00 0.02 0.00 0.00 55.97 55.99 2bs4 s LYS 75 Cb 0.00 -4.00 1.49 0.00 -0.52 0.00 0.00 37.83 34.80 2bs4 s LYS 75 CO 0.00 -1.22 1.83 -1.35 -0.92 0.00 0.00 175.35 173.69 2bs4 h PRO 76 N 9.06 0.04 -0.14 -1.68 0.11 -1.92 -0.04 132.00 137.42 2bs4 h PRO 76 Ca -0.26 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.89 2bs4 h PRO 76 Cb 1.09 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2bs4 h PRO 76 CO 0.99 0.03 0.44 0.97 -0.21 0.00 0.00 178.00 180.21 2bs4 h ILE 77 N 0.04 0.10 -0.21 4.15 2.10 -1.94 0.29 117.51 122.04 2bs4 h ILE 77 Ca 0.53 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 66.46 2bs4 h ILE 77 Cb 2.03 0.59 -0.01 0.00 -1.09 0.00 0.00 36.82 38.33 2bs4 h ILE 77 CO -0.03 0.00 0.11 0.58 -1.08 0.00 0.00 178.15 177.72 2bs4 h VAL 78 N 0.00 1.13 -0.31 2.19 2.07 -1.32 -2.07 116.25 117.94 2bs4 h VAL 78 Ca 0.07 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.24 2bs4 h VAL 78 Cb 0.96 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 2bs4 h VAL 78 CO -0.00 0.13 0.21 0.58 0.02 0.00 0.00 177.57 178.50 2bs4 h VAL 79 N 0.22 1.04 -0.64 2.57 2.07 -0.62 -1.18 116.25 119.70 2bs4 h VAL 79 Ca 0.07 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.49 2bs4 h VAL 79 Cb 0.11 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 2bs4 h VAL 79 CO -0.01 0.06 0.41 0.28 0.02 0.00 0.00 177.57 178.34 2bs4 h SER 80 N 0.35 0.70 -0.15 0.57 0.02 -1.27 0.60 113.55 114.37 2bs4 h SER 80 Ca 0.12 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 2bs4 h SER 80 Cb 0.06 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2bs4 h SER 80 CO -0.03 0.50 -0.27 -0.26 -1.14 0.00 0.00 176.83 175.63 2bs4 h PHE 81 N 0.83 0.56 -0.90 3.45 -1.00 -1.14 -0.32 116.94 118.42 2bs4 h PHE 81 Ca 0.25 -0.20 0.15 0.00 2.81 0.00 0.00 57.97 60.98 2bs4 h PHE 81 Cb -0.05 -0.11 -0.09 0.00 3.61 0.00 0.00 35.95 39.31 2bs4 h PHE 81 CO -0.04 0.89 0.50 1.25 -1.61 0.00 0.00 178.31 179.30 2bs4 h LEU 82 N 0.06 0.64 -0.11 1.54 7.12 -0.94 0.65 115.31 124.26 2bs4 h LEU 82 Ca 0.01 0.09 -0.16 0.00 0.13 0.00 0.00 57.88 57.95 2bs4 h LEU 82 Cb 0.85 -0.02 0.01 0.00 -0.53 0.00 0.00 40.66 40.97 2bs4 h LEU 82 CO 0.06 0.27 -0.54 0.00 -0.13 0.00 0.00 178.44 178.10 2bs4 h ALA 83 N 1.57 0.22 -0.74 1.25 0.00 -0.77 -2.71 119.26 118.08 2bs4 h ALA 83 Ca 0.49 -0.52 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2bs4 h ALA 83 Cb 0.68 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 2bs4 h ALA 83 CO -0.35 0.43 0.47 0.00 0.00 0.00 0.00 179.25 179.80 2bs4 h ALA 84 N 0.49 0.97 -0.20 0.00 0.00 -0.13 0.12 119.26 120.52 2bs4 h ALA 84 Ca -0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2bs4 h ALA 84 Cb 1.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2bs4 h ALA 84 CO 0.11 0.27 0.11 0.35 0.00 0.00 0.00 179.25 180.09 2bs4 h PHE 85 N 0.92 0.27 -0.57 0.00 3.57 -0.91 -0.79 116.94 119.42 2bs4 h PHE 85 Ca 0.30 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.74 2bs4 h PHE 85 Cb 0.01 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 2bs4 h PHE 85 CO -0.04 0.23 0.14 0.28 -2.23 0.00 0.00 178.31 176.69 2bs4 h VAL 86 N 0.23 1.23 -0.06 1.41 2.07 -1.10 -2.20 116.25 117.83 2bs4 h VAL 86 Ca 0.07 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 2bs4 h VAL 86 Cb 0.04 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2bs4 h VAL 86 CO -0.01 0.32 0.04 0.15 0.02 0.00 0.00 177.57 178.08 2bs4 h PHE 87 N 0.85 0.07 -0.04 1.57 3.04 -0.39 0.24 116.94 122.28 2bs4 h PHE 87 Ca 0.18 0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.16 2bs4 h PHE 87 Cb 0.31 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 38.76 2bs4 h PHE 87 CO 0.02 0.08 -0.16 0.00 -2.02 0.00 0.00 178.31 176.23 2bs4 h ALA 88 N 0.99 -0.15 -0.35 2.41 0.00 -0.90 0.40 119.26 121.65 2bs4 h ALA 88 Ca 0.02 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.01 2bs4 h ALA 88 Cb 0.02 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2bs4 h ALA 88 CO -0.00 -0.64 0.02 0.28 0.00 0.00 0.00 179.25 178.91 2bs4 h VAL 89 N -0.24 0.77 -0.56 0.00 2.07 -1.18 0.23 116.25 117.34 2bs4 h VAL 89 Ca 0.06 -0.04 0.11 0.00 0.82 0.00 0.00 66.70 67.65 2bs4 h VAL 89 Cb 0.33 0.63 -0.09 0.00 -1.52 0.00 0.00 31.29 30.63 2bs4 h VAL 89 CO -0.18 0.02 -0.01 0.15 0.02 0.00 0.00 177.57 177.57 2bs4 h PHE 90 N 0.13 -0.06 0.57 1.57 3.57 0.46 0.38 116.94 123.56 2bs4 h PHE 90 Ca 0.17 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 2bs4 h PHE 90 Cb 0.22 0.11 0.01 0.00 2.79 0.00 0.00 35.95 39.08 2bs4 h PHE 90 CO -0.23 -0.15 -0.28 0.82 -2.23 0.00 0.00 178.31 176.25 2bs4 h ILE 91 N 0.11 0.42 -0.28 1.41 1.08 0.12 -2.33 117.51 118.03 2bs4 h ILE 91 Ca 0.29 -0.11 0.07 0.00 -0.39 0.00 0.00 64.86 64.71 2bs4 h ILE 91 Cb 0.45 0.46 -0.07 0.00 -3.07 0.00 0.00 36.82 34.59 2bs4 h ILE 91 CO -0.48 0.02 -0.24 0.00 -0.69 0.00 0.00 178.15 176.75 2bs4 h ALA 92 N -0.45 -0.10 -0.57 1.87 0.00 0.20 -0.76 119.26 119.45 2bs4 h ALA 92 Ca -0.08 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2bs4 h ALA 92 Cb 0.62 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 2bs4 h ALA 92 CO 0.13 -0.66 0.20 1.25 0.00 0.00 0.00 179.25 180.18 2bs4 h HIS 93 N -0.23 0.35 -0.77 0.00 -0.00 -0.26 -1.44 115.15 112.81 2bs4 h HIS 93 Ca 0.15 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.53 2bs4 h HIS 93 Cb 0.46 -0.07 -0.04 0.00 -0.00 0.00 0.00 27.41 27.76 2bs4 h HIS 93 CO -0.41 0.09 0.42 0.00 -0.00 0.00 0.00 177.93 178.03 2bs4 h ALA 94 N 1.39 0.98 -0.70 5.26 0.00 -0.83 0.13 119.26 125.49 2bs4 h ALA 94 Ca 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2bs4 h ALA 94 Cb 0.34 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2bs4 h ALA 94 CO -0.29 0.50 0.39 0.35 0.00 0.00 0.00 179.25 180.20 2bs4 h PHE 95 N 1.06 0.94 0.14 0.00 3.57 -0.45 0.13 116.94 122.33 2bs4 h PHE 95 Ca 0.27 -0.01 -0.24 0.00 3.53 0.00 0.00 57.97 61.52 2bs4 h PHE 95 Cb 0.03 -0.31 0.01 0.00 2.79 0.00 0.00 35.95 38.48 2bs4 h PHE 95 CO 0.00 0.65 -1.16 -0.07 -2.23 0.00 0.00 178.31 175.50 2bs4 h LEU 96 N 0.97 0.45 -1.15 0.59 3.38 -0.80 -3.34 115.31 115.41 2bs4 h LEU 96 Ca 0.25 -0.90 -0.09 0.00 0.09 0.00 0.00 57.88 57.23 2bs4 h LEU 96 Cb 0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2bs4 h LEU 96 CO -0.04 1.53 -0.41 0.00 0.09 0.00 0.00 178.44 179.61 2bs4 h ALA 97 N 0.02 1.30 -0.96 1.53 0.00 -0.74 -2.83 119.26 117.59 2bs4 h ALA 97 Ca -0.23 -0.38 0.23 0.00 0.00 0.00 0.00 54.91 54.53 2bs4 h ALA 97 Cb 1.74 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.39 2bs4 h ALA 97 CO 0.11 0.52 0.63 1.98 0.00 0.00 0.00 179.25 182.50 2bs4 h MET 98 N 0.02 0.36 -0.23 0.00 -1.53 -0.85 0.16 114.93 112.86 2bs4 h MET 98 Ca -0.00 -0.02 0.07 0.00 -3.44 0.00 0.00 59.70 56.30 2bs4 h MET 98 Cb 0.74 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.70 2bs4 h MET 98 CO 0.05 0.24 0.29 0.00 0.14 0.00 0.00 176.91 177.63 2bs4 h ARG 99 N 0.37 0.00 -0.01 0.39 3.08 -1.66 -2.32 114.38 114.24 2bs4 h ARG 99 Ca 0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.56 2bs4 h ARG 99 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 2bs4 h ARG 99 CO -0.20 0.00 -0.14 1.63 -1.07 0.00 0.00 179.97 180.19 2bs4 n LYS 100 N -3.63 1.14 -1.79 0.04 4.01 0.55 -4.94 118.16 113.55 2bs4 n LYS 100 Ca 0.03 -0.64 -0.33 0.00 -0.51 0.00 0.00 58.31 56.86 2bs4 n LYS 100 Cb 0.42 -1.49 0.04 0.00 -0.51 0.00 0.00 35.03 33.50 2bs4 n LYS 100 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 2bs4 s PHE 101 N -2.30 2.63 0.57 2.13 0.08 -0.88 -4.98 117.98 115.23 2bs4 s PHE 101 Ca 0.30 1.55 -0.19 0.00 0.12 0.00 0.00 56.93 58.72 2bs4 s PHE 101 Cb 0.20 -3.17 -0.05 0.00 -0.57 0.00 0.00 43.02 39.43 2bs4 s PHE 101 CO 0.44 -1.68 1.13 -2.14 -0.10 0.00 0.00 175.22 172.88 2bs4 s PRO 102 N -4.05 3.23 0.00 0.24 0.02 -1.26 -4.94 135.00 128.23 2bs4 s PRO 102 Ca 0.67 1.59 0.00 0.00 0.02 0.00 0.00 61.00 63.28 2bs4 s PRO 102 Cb -0.21 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.32 2bs4 s PRO 102 CO 0.41 -0.95 0.65 1.51 -0.33 0.00 0.00 177.00 178.29 2bs4 n ILE 103 N -1.52 0.38 -4.00 2.83 3.06 -1.26 -4.91 119.36 113.94 2bs4 n ILE 103 Ca 0.12 -0.41 -0.10 0.00 -2.50 0.00 0.00 62.75 59.86 2bs4 n ILE 103 Cb 0.51 0.89 -0.05 0.00 0.54 0.00 0.00 39.64 41.53 2bs4 n ILE 103 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2bs4 s ASN 104 N -0.38 0.04 0.15 9.51 2.20 -1.26 -5.05 114.94 120.16 2bs4 s ASN 104 Ca 0.00 -1.01 -0.21 0.00 -0.94 0.00 0.00 52.86 50.71 2bs4 s ASN 104 Cb 0.00 0.61 0.05 0.00 -2.00 0.00 0.00 41.25 39.91 2bs4 s ASN 104 CO 0.00 -1.20 1.64 0.22 -2.94 0.00 0.00 177.10 174.83 2bs4 h TYR 105 N 2.22 -0.50 -0.27 1.54 3.20 -1.98 -1.01 116.97 120.16 2bs4 h TYR 105 Ca -0.26 0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.68 2bs4 h TYR 105 Cb 1.25 0.26 -0.04 0.00 1.54 0.00 0.00 36.73 39.74 2bs4 h TYR 105 CO 0.59 -0.27 0.04 0.00 -1.64 0.00 0.00 178.16 176.89 2bs4 h ARG 106 N -0.17 0.13 -0.15 1.82 2.47 -1.98 0.30 114.38 116.81 2bs4 h ARG 106 Ca 0.15 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.86 2bs4 h ARG 106 Cb 0.40 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 2bs4 h ARG 106 CO -0.39 0.09 0.08 1.96 0.56 0.00 0.00 179.97 182.27 2bs4 h GLN 107 N 0.14 0.21 -0.40 0.04 4.20 -1.91 -0.15 115.11 117.23 2bs4 h GLN 107 Ca 0.12 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 2bs4 h GLN 107 Cb 0.14 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 2bs4 h GLN 107 CO -0.17 0.23 0.24 -0.92 -0.67 0.00 0.00 178.83 177.54 2bs4 h TYR 108 N 0.13 0.53 0.55 2.96 5.03 -0.93 -0.99 116.97 124.25 2bs4 h TYR 108 Ca 0.05 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.33 2bs4 h TYR 108 Cb 0.08 -0.17 0.01 0.00 1.55 0.00 0.00 36.73 38.19 2bs4 h TYR 108 CO -0.04 0.38 -0.26 1.25 -1.32 0.00 0.00 178.16 178.16 2bs4 h LEU 109 N 0.53 -0.63 -1.25 2.82 5.85 -0.22 -0.90 115.31 121.51 2bs4 h LEU 109 Ca 0.14 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2bs4 h LEU 109 Cb 0.00 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2bs4 h LEU 109 CO -0.03 -0.34 0.18 0.71 -0.34 0.00 0.00 178.44 178.63 2bs4 h THR 110 N -0.90 1.19 -0.10 1.05 1.35 -1.05 -0.38 112.91 114.06 2bs4 h THR 110 Ca -0.08 -0.59 -0.17 0.00 -0.55 0.00 0.00 66.41 65.02 2bs4 h THR 110 Cb 0.62 0.62 0.01 0.00 -1.73 0.00 0.00 68.15 67.68 2bs4 h THR 110 CO 0.12 0.23 -0.60 0.15 -0.25 0.00 0.00 175.52 175.17 2bs4 h PHE 111 N 0.69 0.80 -0.22 4.73 3.04 -1.18 -1.51 116.94 123.29 2bs4 h PHE 111 Ca 0.17 -0.36 -0.00 0.00 3.98 0.00 0.00 57.97 61.75 2bs4 h PHE 111 Cb 0.16 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.54 2bs4 h PHE 111 CO 0.01 1.16 0.13 -0.22 -2.02 0.00 0.00 178.31 177.37 2bs4 h LYS 112 N 0.20 0.30 -0.21 1.11 3.64 -0.91 0.49 116.57 121.19 2bs4 h LYS 112 Ca -0.05 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2bs4 h LYS 112 Cb 1.25 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 2bs4 h LYS 112 CO 0.12 0.26 -0.04 1.15 -2.27 0.00 0.00 179.45 178.67 2bs4 h THR 113 N 0.26 0.80 -0.48 1.00 2.02 -1.10 -1.68 112.91 113.73 2bs4 h THR 113 Ca 0.08 -0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.32 2bs4 h THR 113 Cb 0.04 0.79 -0.06 0.00 -1.74 0.00 0.00 68.15 67.18 2bs4 h THR 113 CO -0.01 0.00 0.16 -0.74 0.37 0.00 0.00 175.52 175.30 2bs4 h HIS 114 N 0.01 0.29 0.03 3.16 -0.00 -0.89 0.24 115.15 117.99 2bs4 h HIS 114 Ca 0.10 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.51 2bs4 h HIS 114 Cb 0.15 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.48 2bs4 h HIS 114 CO -0.22 0.09 -0.10 -0.22 -0.00 0.00 0.00 177.93 177.48 2bs4 h LYS 115 N 0.33 -0.18 -0.48 5.26 3.64 -0.44 0.52 116.57 125.22 2bs4 h LYS 115 Ca 0.23 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 2bs4 h LYS 115 Cb 0.25 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2bs4 h LYS 115 CO -0.24 -0.12 0.23 -0.44 -2.27 0.00 0.00 179.45 176.60 2bs4 h ASP 116 N -0.19 0.60 -0.07 4.20 3.32 -0.90 -1.66 116.42 121.71 2bs4 h ASP 116 Ca 0.03 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 2bs4 h ASP 116 Cb 0.22 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2bs4 h ASP 116 CO -0.08 0.52 -0.14 -0.07 -1.72 0.00 0.00 179.24 177.75 2bs4 h LEU 117 N 0.67 0.25 -0.99 1.55 3.38 -0.29 -3.32 115.31 116.56 2bs4 h LEU 117 Ca 0.17 -0.56 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 2bs4 h LEU 117 Cb 0.08 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2bs4 h LEU 117 CO -0.02 0.76 0.21 0.24 0.09 0.00 0.00 178.44 179.72 2bs4 h MET 118 N -0.25 0.93 -6.54 1.13 2.86 0.24 -3.46 114.93 109.83 2bs4 h MET 118 Ca 0.00 -0.17 -0.51 0.00 -2.06 0.00 0.00 59.70 56.96 2bs4 h MET 118 Cb 0.72 -0.15 -0.12 0.00 0.06 0.00 0.00 31.60 32.11 2bs4 h MET 118 CO 0.03 0.79 -0.82 0.54 1.06 0.00 0.00 176.91 178.52 2bs4 n ARG 119 N -4.29 -3.99 -3.80 1.72 1.74 -0.64 -4.91 116.66 102.49 2bs4 n ARG 119 Ca 0.05 0.46 -0.36 0.00 -0.77 0.00 0.00 57.85 57.23 2bs4 n ARG 119 Cb 0.20 -5.13 -0.12 0.00 -1.02 0.00 0.00 32.46 26.39 2bs4 n ARG 119 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2bs4 s HIS 120 N -3.42 3.13 0.00 -1.55 2.46 -1.26 -5.05 115.29 109.60 2bs4 s HIS 120 Ca 0.57 -0.24 0.00 0.00 0.47 0.00 0.00 55.06 55.86 2bs4 s HIS 120 Cb -0.30 -2.22 0.00 0.00 -0.13 0.00 0.00 32.58 29.93 2bs4 s HIS 120 CO 0.89 -0.22 0.91 0.41 -2.47 0.00 0.00 174.74 174.26 2bs4 n GLY 121 N 4.63 -2.99 0.35 1.59 0.00 -1.26 -1.19 105.19 106.32 2bs4 n GLY 121 Ca -0.16 0.40 0.18 0.00 0.00 0.00 0.00 46.02 46.44 2bs4 n GLY 121 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2bs4 h ASP 122 N 0.00 0.00 0.06 1.61 3.32 -1.99 0.17 116.42 119.60 2bs4 h ASP 122 Ca 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 2bs4 h ASP 122 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 2bs4 h ASP 122 CO 0.00 0.00 -0.54 0.74 -1.72 0.00 0.00 179.24 177.72 2bs4 h THR 123 N 0.00 1.55 -0.79 0.35 2.02 -1.92 -3.07 112.91 111.05 2bs4 h THR 123 Ca 0.08 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.95 2bs4 h THR 123 Cb 0.74 3.03 -0.04 0.00 -1.74 0.00 0.00 68.15 70.14 2bs4 h THR 123 CO -0.00 0.64 0.50 0.74 0.37 0.00 0.00 175.52 177.77 2bs4 h THR 124 N -0.43 1.21 -0.85 3.16 2.02 0.65 -2.12 112.91 116.56 2bs4 h THR 124 Ca -0.09 -0.43 0.04 0.00 0.77 0.00 0.00 66.41 66.70 2bs4 h THR 124 Cb 1.36 0.09 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 2bs4 h THR 124 CO 0.10 0.21 0.56 -0.07 0.37 0.00 0.00 175.52 176.69 2bs4 h LEU 125 N 1.07 0.90 -1.28 2.58 3.38 -0.86 -1.27 115.31 119.84 2bs4 h LEU 125 Ca 0.29 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 2bs4 h LEU 125 Cb -0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2bs4 h LEU 125 CO -0.06 0.62 0.19 -0.25 0.09 0.00 0.00 178.44 179.02 2bs4 h TRP 126 N 1.04 0.68 -0.62 1.13 7.01 -1.28 0.24 115.95 124.15 2bs4 h TRP 126 Ca 0.34 -0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.29 2bs4 h TRP 126 Cb 0.04 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 26.86 2bs4 h TRP 126 CO -0.00 0.54 0.31 2.35 -2.79 0.00 0.00 178.44 178.85 2bs4 h TRP 127 N 0.68 0.89 -0.30 2.65 2.91 -1.07 0.33 115.95 122.03 2bs4 h TRP 127 Ca 0.16 -0.04 0.01 0.00 1.13 0.00 0.00 58.89 60.16 2bs4 h TRP 127 Cb 0.14 -0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 28.50 2bs4 h TRP 127 CO 0.01 0.66 0.18 0.82 -1.03 0.00 0.00 178.44 179.08 2bs4 h ILE 128 N 0.85 1.04 -0.58 2.65 1.08 -0.70 0.20 117.51 122.06 2bs4 h ILE 128 Ca 0.21 -0.13 0.09 0.00 -0.39 0.00 0.00 64.86 64.65 2bs4 h ILE 128 Cb 0.10 0.64 -0.07 0.00 -3.07 0.00 0.00 36.82 34.42 2bs4 h ILE 128 CO -0.03 0.07 0.21 1.56 -0.69 0.00 0.00 178.15 179.27 2bs4 h GLN 129 N 0.37 0.37 0.01 2.37 4.20 -0.32 0.82 115.11 122.93 2bs4 h GLN 129 Ca 0.12 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 2bs4 h GLN 129 Cb -0.01 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.69 2bs4 h GLN 129 CO -0.05 0.25 -0.00 0.00 -0.67 0.00 0.00 178.83 178.35 2bs4 h ALA 130 N 1.40 -0.01 0.36 3.87 0.00 -0.42 -1.78 119.26 122.68 2bs4 h ALA 130 Ca 0.29 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2bs4 h ALA 130 Cb 0.35 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2bs4 h ALA 130 CO -0.30 -0.44 -0.20 0.52 0.00 0.00 0.00 179.25 178.83 2bs4 h MET 131 N -0.14 -0.50 -0.80 0.00 2.86 -0.43 -1.12 114.93 114.81 2bs4 h MET 131 Ca -0.00 0.03 0.19 0.00 -2.06 0.00 0.00 59.70 57.86 2bs4 h MET 131 Cb 0.13 0.11 -0.12 0.00 0.06 0.00 0.00 31.60 31.79 2bs4 h MET 131 CO 0.00 -0.33 0.23 1.79 1.06 0.00 0.00 176.91 179.66 2bs4 h THR 132 N -0.51 0.46 -0.60 2.22 1.35 -0.95 0.27 112.91 115.15 2bs4 h THR 132 Ca -0.05 -0.10 0.02 0.00 -0.55 0.00 0.00 66.41 65.73 2bs4 h THR 132 Cb 0.40 0.15 -0.04 0.00 -1.73 0.00 0.00 68.15 66.94 2bs4 h THR 132 CO 0.06 0.05 0.38 1.23 -0.25 0.00 0.00 175.52 176.99 2bs4 h GLY 133 N 0.29 0.85 1.10 5.82 0.00 -1.25 -0.41 103.07 109.47 2bs4 h GLY 133 Ca 0.47 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 2bs4 h GLY 133 CO -0.55 0.26 0.26 -2.75 0.00 0.00 0.00 176.54 173.76 2bs4 h PHE 134 N 0.75 1.17 -0.80 5.60 3.57 0.74 -2.72 116.94 125.24 2bs4 h PHE 134 Ca 0.23 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 2bs4 h PHE 134 Cb -0.02 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.34 2bs4 h PHE 134 CO -0.05 0.90 0.40 0.00 -2.23 0.00 0.00 178.31 177.34 2bs4 h ALA 135 N 1.18 1.03 0.00 2.41 0.00 -0.24 -2.46 119.26 121.18 2bs4 h ALA 135 Ca 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2bs4 h ALA 135 Cb 0.26 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2bs4 h ALA 135 CO -0.01 0.59 0.00 0.52 0.00 0.00 0.00 179.25 180.34 2bs4 h MET 136 N 1.13 0.00 -0.90 0.00 2.86 -0.77 -2.08 114.93 115.18 2bs4 h MET 136 Ca 0.28 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 58.03 2bs4 h MET 136 Cb 0.10 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.68 2bs4 h MET 136 CO -0.04 0.00 0.53 0.74 1.06 0.00 0.00 176.91 179.21 2bs4 h PHE 137 N 0.00 0.97 0.00 -0.22 0.04 -1.40 0.49 116.94 116.82 2bs4 h PHE 137 Ca 0.00 0.03 -0.15 0.00 2.80 0.00 0.00 57.97 60.65 2bs4 h PHE 137 Cb 0.18 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 2bs4 h PHE 137 CO 0.00 0.38 -1.01 1.19 -0.60 0.00 0.00 178.31 178.27 2bs4 n PHE 138 N -4.70 0.98 0.08 -0.55 3.01 -0.83 -3.84 117.46 111.62 2bs4 n PHE 138 Ca 0.16 0.43 -0.12 0.00 1.01 0.00 0.00 57.45 58.93 2bs4 n PHE 138 Cb 0.32 -0.99 -0.06 0.00 -0.01 0.00 0.00 39.48 38.74 2bs4 n PHE 138 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2bs4 h LEU 139 N -1.00 -0.26 -0.69 4.37 3.38 -1.43 -3.15 115.31 116.53 2bs4 h LEU 139 Ca -0.23 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2bs4 h LEU 139 Cb 1.02 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 2bs4 h LEU 139 CO -0.14 -0.14 0.30 1.23 0.09 0.00 0.00 178.44 179.78 2bs4 h GLY 140 N -0.20 1.10 0.61 0.83 0.00 -1.13 -3.09 103.07 101.18 2bs4 h GLY 140 Ca 0.02 -0.57 0.09 0.00 0.00 0.00 0.00 47.33 46.86 2bs4 h GLY 140 CO -0.05 0.54 0.64 1.76 0.00 0.00 0.00 176.54 179.43 2bs4 h SER 141 N 0.98 0.98 0.83 0.19 0.02 -1.59 -2.10 113.55 112.86 2bs4 h SER 141 Ca 0.23 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.17 2bs4 h SER 141 Cb 0.17 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 62.54 2bs4 h SER 141 CO -0.02 0.58 -0.41 0.58 -1.14 0.00 0.00 176.83 176.41 2bs4 h VAL 142 N 1.08 0.00 -0.51 2.27 2.07 -1.50 -2.56 116.25 117.10 2bs4 h VAL 142 Ca 0.47 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.08 2bs4 h VAL 142 Cb 0.33 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.02 2bs4 h VAL 142 CO -0.22 0.00 0.01 -0.74 0.02 0.00 0.00 177.57 176.64 2bs4 h HIS 143 N -1.14 -0.01 -0.49 1.57 6.17 -1.55 -2.42 115.15 117.30 2bs4 h HIS 143 Ca -0.11 0.04 0.01 0.00 0.71 0.00 0.00 60.37 61.02 2bs4 h HIS 143 Cb 0.87 0.08 -0.02 0.00 2.52 0.00 0.00 27.41 30.86 2bs4 h HIS 143 CO 0.02 -0.11 0.32 -0.07 0.71 0.00 0.00 177.93 178.81 2bs4 h LEU 144 N 0.13 0.53 -0.46 0.26 3.38 -1.37 -2.47 115.31 115.31 2bs4 h LEU 144 Ca 0.26 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 58.04 2bs4 h LEU 144 Cb 0.39 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2bs4 h LEU 144 CO -0.42 0.38 -0.69 0.22 0.09 0.00 0.00 178.44 178.02 2bs4 h TYR 145 N 0.62 0.49 0.66 1.13 3.20 -1.00 -2.64 116.97 119.44 2bs4 h TYR 145 Ca 0.18 -0.21 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 2bs4 h TYR 145 Cb -0.02 -0.08 0.01 0.00 1.54 0.00 0.00 36.73 38.18 2bs4 h TYR 145 CO -0.00 0.95 -0.32 0.82 -1.64 0.00 0.00 178.16 177.97 2bs4 h ILE 146 N 0.26 0.00 -1.01 1.81 5.03 -1.35 -0.05 117.51 122.20 2bs4 h ILE 146 Ca -0.02 -0.35 0.25 0.00 -0.12 0.00 0.00 64.86 64.62 2bs4 h ILE 146 Cb 1.25 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 34.93 2bs4 h ILE 146 CO 0.12 0.00 0.61 0.24 -0.68 0.00 0.00 178.15 178.44 2bs4 h MET 147 N -1.24 0.53 -0.38 2.37 2.86 -1.55 0.91 114.93 118.44 2bs4 h MET 147 Ca -0.09 -0.03 -0.16 0.00 -2.06 0.00 0.00 59.70 57.36 2bs4 h MET 147 Cb 0.68 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 2bs4 h MET 147 CO 0.15 0.35 -0.39 1.98 1.06 0.00 0.00 176.91 180.06 2bs4 h MET 148 N 0.55 0.94 -0.02 1.72 1.85 -1.37 -3.05 114.93 115.55 2bs4 h MET 148 Ca 0.63 -0.50 0.00 0.00 -0.61 0.00 0.00 59.70 59.22 2bs4 h MET 148 Cb 1.27 0.02 0.00 0.00 0.43 0.00 0.00 31.60 33.32 2bs4 h MET 148 CO -0.44 1.16 -0.27 0.25 -0.40 0.00 0.00 176.91 177.21 2bs4 n THR 149 N -4.06 0.00 -2.75 -0.77 -2.24 0.33 -4.41 114.28 100.38 2bs4 n THR 149 Ca -0.02 -0.34 -0.04 0.00 -2.27 0.00 0.00 64.05 61.38 2bs4 n THR 149 Cb 0.55 1.25 0.04 0.00 -2.10 0.00 0.00 70.33 70.08 2bs4 n THR 149 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bs4 n GLN 150 N 0.45 1.44 0.20 -0.78 6.02 0.29 -4.94 117.38 120.06 2bs4 n GLN 150 Ca 0.12 -3.30 0.14 0.00 -0.01 0.00 0.00 57.00 53.95 2bs4 n GLN 150 Cb 0.50 -1.36 0.76 0.00 1.02 0.00 0.00 30.24 31.16 2bs4 n GLN 150 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2bs4 h PRO 151 N 2.74 0.00 0.00 -1.09 0.13 -1.70 -1.08 132.00 131.00 2bs4 h PRO 151 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2bs4 h PRO 151 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2bs4 h PRO 151 CO 0.31 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.08 2bs4 n GLN 152 N -4.15 0.90 -0.80 0.86 0.00 -1.26 -3.28 117.38 109.64 2bs4 n GLN 152 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 57.00 56.97 2bs4 n GLN 152 Cb 0.26 -1.30 0.20 0.00 0.00 0.00 0.00 30.24 29.41 2bs4 n GLN 152 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2bs4 n THR 153 N -0.80 2.56 -3.84 -0.39 -2.24 -0.41 -4.18 114.28 104.98 2bs4 n THR 153 Ca 0.13 -2.68 -0.36 0.00 -2.27 0.00 0.00 64.05 58.87 2bs4 n THR 153 Cb 0.06 -0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 67.89 2bs4 n THR 153 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2bs4 s ILE 154 N -3.23 5.35 0.00 2.28 -1.09 -1.21 -3.64 121.20 119.67 2bs4 s ILE 154 Ca 0.45 0.16 0.00 0.00 -2.23 0.00 0.00 60.65 59.03 2bs4 s ILE 154 Cb 0.40 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.90 2bs4 s ILE 154 CO 0.00 0.52 0.00 0.61 -1.23 0.00 0.00 174.94 174.85 2bs4 n GLY 155 N 2.83 2.03 0.34 6.18 0.00 -1.26 -4.80 105.19 110.51 2bs4 n GLY 155 Ca -0.18 -0.99 0.05 0.00 0.00 0.00 0.00 46.02 44.90 2bs4 n GLY 155 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bs4 h PRO 156 N 0.00 0.68 0.00 1.61 0.13 -1.91 0.61 132.00 133.11 2bs4 h PRO 156 Ca 0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2bs4 h PRO 156 Cb 0.00 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 30.98 2bs4 h PRO 156 CO 0.00 0.45 -0.04 0.28 -0.23 0.00 0.00 178.00 178.46 2bs4 h VAL 157 N 0.70 0.00 -0.34 1.56 2.07 -1.94 -3.17 116.25 115.13 2bs4 h VAL 157 Ca 0.24 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 67.25 2bs4 h VAL 157 Cb 0.09 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.78 2bs4 h VAL 157 CO -0.06 0.00 -0.24 0.28 0.02 0.00 0.00 177.57 177.56 2bs4 h SER 158 N -0.58 -0.80 -0.89 0.57 0.02 -1.58 0.17 113.55 110.47 2bs4 h SER 158 Ca 0.00 0.16 0.05 0.00 -0.84 0.00 0.00 61.79 61.16 2bs4 h SER 158 Cb 0.04 0.39 -0.06 0.00 0.14 0.00 0.00 62.40 62.92 2bs4 h SER 158 CO 0.00 -0.27 0.56 0.28 -1.14 0.00 0.00 176.83 176.26 2bs4 h SER 159 N -0.20 0.90 0.41 3.07 0.02 -0.93 0.66 113.55 117.48 2bs4 h SER 159 Ca 0.17 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 2bs4 h SER 159 Cb 0.47 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2bs4 h SER 159 CO -0.46 0.59 -0.29 0.28 -1.14 0.00 0.00 176.83 175.82 2bs4 h SER 160 N 1.04 0.00 0.10 3.07 0.02 -1.19 -1.19 113.55 115.40 2bs4 h SER 160 Ca 0.37 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.32 2bs4 h SER 160 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2bs4 h SER 160 CO -0.15 0.29 -0.05 0.15 -1.14 0.00 0.00 176.83 175.93 2bs4 h PHE 161 N 0.00 -0.12 -0.29 3.45 3.57 0.16 -2.68 116.94 121.02 2bs4 h PHE 161 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2bs4 h PHE 161 Cb 0.57 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 2bs4 h PHE 161 CO 0.00 0.24 0.18 -0.09 -2.23 0.00 0.00 178.31 176.41 2bs4 h ARG 162 N -0.50 0.40 -0.71 1.11 2.43 -1.15 0.41 114.38 116.37 2bs4 h ARG 162 Ca -0.01 -0.03 0.15 0.00 -0.81 0.00 0.00 59.98 59.27 2bs4 h ARG 162 Cb 0.41 -0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 29.77 2bs4 h ARG 162 CO 0.02 0.30 0.14 1.98 -1.51 0.00 0.00 179.97 180.90 2bs4 h MET 163 N 0.38 0.23 0.00 0.20 4.05 -1.23 -2.36 114.93 116.20 2bs4 h MET 163 Ca 0.11 -0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.45 2bs4 h MET 163 Cb -0.00 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 2bs4 h MET 163 CO -0.02 0.15 -1.14 0.28 0.23 0.00 0.00 176.91 176.41 2bs4 n VAL 164 N -5.18 1.47 0.27 -5.77 0.31 -1.01 -1.67 118.33 106.75 2bs4 n VAL 164 Ca 0.13 0.09 0.14 0.00 -0.01 0.00 0.00 64.34 64.69 2bs4 n VAL 164 Cb 0.43 -2.23 0.76 0.00 -0.91 0.00 0.00 33.84 31.89 2bs4 n VAL 164 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2bs4 h SER 165 N -0.93 0.00 -0.47 4.52 0.02 -0.33 -2.34 113.55 114.02 2bs4 h SER 165 Ca -0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2bs4 h SER 165 Cb 1.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.56 2bs4 h SER 165 CO -0.06 0.10 0.00 -0.62 -1.14 0.00 0.00 176.83 175.11 2bs4 n GLU 166 N -3.48 2.77 -3.73 3.45 1.02 -0.90 -4.99 120.64 114.78 2bs4 n GLU 166 Ca -0.01 -2.24 -0.22 0.00 -0.02 0.00 0.00 57.16 54.66 2bs4 n GLU 166 Cb 0.24 -1.37 0.03 0.00 -0.02 0.00 0.00 31.44 30.32 2bs4 n GLU 166 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 2bs4 n TRP 167 N 0.92 -1.90 0.02 -0.32 7.02 -0.88 -4.91 117.44 117.38 2bs4 n TRP 167 Ca 0.16 0.84 0.03 0.00 -1.02 0.00 0.00 57.50 57.50 2bs4 n TRP 167 Cb 0.49 -4.33 -0.09 0.00 -2.42 0.00 0.00 31.31 24.97 2bs4 n TRP 167 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 2bs4 n MET 168 N -4.30 0.63 -0.34 -0.99 2.81 -0.97 -4.32 117.12 109.64 2bs4 n MET 168 Ca -0.29 0.11 0.15 0.00 -1.81 0.00 0.00 57.70 55.87 2bs4 n MET 168 Cb 0.67 -1.74 0.37 0.00 -0.71 0.00 0.00 33.22 31.82 2bs4 n MET 168 CO 0.00 0.00 0.00 0.11 1.51 0.00 0.00 175.97 177.59 2bs4 h TRP 169 N 0.00 0.98 -0.01 2.03 5.08 -1.59 0.52 115.95 122.95 2bs4 h TRP 169 Ca -0.15 0.03 -0.00 0.00 1.08 0.00 0.00 58.89 59.85 2bs4 h TRP 169 Cb 1.46 -0.29 -0.00 0.00 -3.00 0.00 0.00 29.16 27.33 2bs4 h TRP 169 CO 0.00 0.17 0.01 -1.00 -1.28 0.00 0.00 178.44 176.34 2bs4 h PRO 170 N 0.66 0.02 0.12 0.12 0.13 -1.87 0.37 132.00 131.56 2bs4 h PRO 170 Ca 0.59 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.72 2bs4 h PRO 170 Cb 1.06 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 2bs4 h PRO 170 CO -0.38 0.14 -0.12 1.25 -0.23 0.00 0.00 178.00 178.67 2bs4 h LEU 171 N -0.11 -0.32 -0.80 1.56 6.46 -1.32 -2.47 115.31 118.31 2bs4 h LEU 171 Ca 0.00 0.03 0.11 0.00 -0.12 0.00 0.00 57.88 57.91 2bs4 h LEU 171 Cb 0.13 0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 40.09 2bs4 h LEU 171 CO -0.00 -0.19 0.42 1.88 -0.62 0.00 0.00 178.44 179.93 2bs4 h TYR 172 N -0.27 0.74 -0.22 1.25 0.05 0.09 0.74 116.97 119.35 2bs4 h TYR 172 Ca 0.00 0.03 0.04 0.00 0.05 0.00 0.00 58.73 58.86 2bs4 h TYR 172 Cb 0.26 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 37.75 2bs4 h TYR 172 CO -0.12 0.24 -0.02 1.25 -1.05 0.00 0.00 178.16 178.46 2bs4 h LEU 173 N 0.66 -0.14 -0.06 3.88 5.85 0.18 -0.18 115.31 125.51 2bs4 h LEU 173 Ca 0.41 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.17 2bs4 h LEU 173 Cb 0.48 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 2bs4 h LEU 173 CO -0.30 -0.04 -0.04 0.58 -0.34 0.00 0.00 178.44 178.29 2bs4 h VAL 174 N 0.04 1.36 -0.60 1.05 2.07 -1.01 -3.09 116.25 116.07 2bs4 h VAL 174 Ca 0.11 -1.15 0.10 0.00 0.82 0.00 0.00 66.70 66.58 2bs4 h VAL 174 Cb 0.15 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 2bs4 h VAL 174 CO -0.20 0.31 0.41 0.25 0.02 0.00 0.00 177.57 178.36 2bs4 h LEU 175 N -0.30 0.38 0.06 2.57 5.85 -0.74 -1.27 115.31 121.87 2bs4 h LEU 175 Ca 0.01 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.75 2bs4 h LEU 175 Cb 0.53 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2bs4 h LEU 175 CO 0.01 0.23 -0.11 0.25 -0.34 0.00 0.00 178.44 178.48 2bs4 h LEU 176 N 0.42 -0.32 -0.69 2.25 5.85 -0.94 0.05 115.31 121.94 2bs4 h LEU 176 Ca 0.28 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.94 2bs4 h LEU 176 Cb 0.54 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 2bs4 h LEU 176 CO -0.08 -0.17 -0.08 -0.26 -0.34 0.00 0.00 178.44 177.51 2bs4 h PHE 177 N -0.23 1.03 0.26 1.25 -1.00 -1.39 -2.90 116.94 113.97 2bs4 h PHE 177 Ca 0.02 -0.19 -0.01 0.00 2.81 0.00 0.00 57.97 60.60 2bs4 h PHE 177 Cb 0.25 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 39.54 2bs4 h PHE 177 CO -0.15 0.96 -0.13 0.00 -1.61 0.00 0.00 178.31 177.39 2bs4 h ALA 178 N 1.06 -1.01 -0.20 2.45 0.00 -0.95 -2.28 119.26 118.33 2bs4 h ALA 178 Ca 0.14 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.03 2bs4 h ALA 178 Cb 0.61 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2bs4 h ALA 178 CO 0.04 -0.98 0.18 -0.24 0.00 0.00 0.00 179.25 178.24 2bs4 h VAL 179 N -0.38 0.65 0.19 0.00 3.04 -1.10 -0.52 116.25 118.14 2bs4 h VAL 179 Ca -0.04 0.00 -0.25 0.00 -1.01 0.00 0.00 66.70 65.41 2bs4 h VAL 179 Cb 0.27 0.87 0.03 0.00 -2.01 0.00 0.00 31.29 30.45 2bs4 h VAL 179 CO 0.06 0.00 -1.09 -0.29 -1.01 0.00 0.00 177.57 175.24 2bs4 h ILE 180 N 0.00 1.41 -0.31 3.17 -0.00 -1.54 -0.29 117.51 119.95 2bs4 h ILE 180 Ca 0.09 -2.60 -0.04 0.00 -0.00 0.00 0.00 64.86 62.32 2bs4 h ILE 180 Cb 0.44 3.13 -0.01 0.00 -0.00 0.00 0.00 36.82 40.38 2bs4 h ILE 180 CO -0.00 0.75 0.04 -0.07 -0.00 0.00 0.00 178.15 178.87 2bs4 h LEU 181 N -0.17 0.51 0.61 2.19 3.38 -1.05 -1.28 115.31 119.49 2bs4 h LEU 181 Ca -0.19 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 2bs4 h LEU 181 Cb 1.85 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.46 2bs4 h LEU 181 CO 0.20 0.65 -0.41 -0.74 0.09 0.00 0.00 178.44 178.23 2bs4 h HIS 182 N 0.34 -1.10 -0.54 1.13 2.76 -1.18 -1.97 115.15 114.59 2bs4 h HIS 182 Ca 0.09 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.33 2bs4 h HIS 182 Cb 0.37 0.40 -0.06 0.00 1.55 0.00 0.00 27.41 29.67 2bs4 h HIS 182 CO 0.03 -0.59 0.22 0.78 -1.30 0.00 0.00 177.93 177.06 2bs4 h GLY 183 N -0.96 0.75 1.32 5.26 0.00 -1.05 0.26 103.07 108.65 2bs4 h GLY 183 Ca -0.08 -0.13 -0.17 0.00 0.00 0.00 0.00 47.33 46.95 2bs4 h GLY 183 CO 0.06 0.03 -0.52 1.48 0.00 0.00 0.00 176.54 177.59 2bs4 h SER 184 N 0.41 0.79 -0.36 0.19 4.64 -1.25 -0.14 113.55 117.83 2bs4 h SER 184 Ca 0.26 -0.41 -0.11 0.00 -0.47 0.00 0.00 61.79 61.06 2bs4 h SER 184 Cb 0.27 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 2bs4 h SER 184 CO -0.24 1.16 -0.21 0.58 -0.87 0.00 0.00 176.83 177.25 2bs4 h VAL 185 N 0.56 1.29 -0.40 0.95 2.07 -1.15 -0.25 116.25 119.32 2bs4 h VAL 185 Ca 0.02 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.19 2bs4 h VAL 185 Cb 1.09 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 2bs4 h VAL 185 CO 0.11 0.44 0.25 1.23 0.02 0.00 0.00 177.57 179.62 2bs4 h GLY 186 N 0.56 0.57 0.58 2.17 0.00 -0.32 0.28 103.07 106.90 2bs4 h GLY 186 Ca 0.07 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 2bs4 h GLY 186 CO 0.06 0.21 -0.21 1.41 0.00 0.00 0.00 176.54 178.02 2bs4 h LEU 187 N 0.55 0.27 -0.03 3.11 3.38 -0.75 0.30 115.31 122.13 2bs4 h LEU 187 Ca 0.15 -0.64 0.03 0.00 0.09 0.00 0.00 57.88 57.50 2bs4 h LEU 187 Cb -0.04 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2bs4 h LEU 187 CO -0.03 0.87 -0.18 0.22 0.09 0.00 0.00 178.44 179.41 2bs4 h TYR 188 N -0.31 -0.46 -0.91 1.13 3.20 -0.36 -1.40 116.97 117.86 2bs4 h TYR 188 Ca -0.01 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 2bs4 h TYR 188 Cb 0.86 0.21 -0.04 0.00 1.54 0.00 0.00 36.73 39.29 2bs4 h TYR 188 CO 0.14 -0.25 0.53 -0.09 -1.64 0.00 0.00 178.16 176.84 2bs4 h ARG 189 N -0.27 1.25 -0.82 1.82 2.43 -0.50 -1.30 114.38 116.99 2bs4 h ARG 189 Ca 0.07 -0.12 0.11 0.00 -0.81 0.00 0.00 59.98 59.23 2bs4 h ARG 189 Cb 0.36 -0.26 -0.06 0.00 -0.42 0.00 0.00 29.97 29.59 2bs4 h ARG 189 CO -0.19 0.89 0.53 1.25 -1.51 0.00 0.00 179.97 180.94 2bs4 h LEU 190 N 1.26 0.64 -0.13 3.80 5.85 -0.26 0.26 115.31 126.72 2bs4 h LEU 190 Ca 0.32 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.95 2bs4 h LEU 190 Cb -0.03 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.90 2bs4 h LEU 190 CO -0.06 0.36 -0.36 0.00 -0.34 0.00 0.00 178.44 178.04 2bs4 h ALA 191 N 1.60 0.23 0.00 1.25 0.00 -0.19 -2.97 119.26 119.19 2bs4 h ALA 191 Ca 0.39 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2bs4 h ALA 191 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2bs4 h ALA 191 CO -0.16 0.30 0.00 -0.39 0.00 0.00 0.00 179.25 179.00 2bs4 h VAL 192 N 0.09 0.00 -0.17 0.00 -1.51 -1.01 0.80 116.25 114.46 2bs4 h VAL 192 Ca -0.01 -0.92 -0.22 0.00 -1.23 0.00 0.00 66.70 64.33 2bs4 h VAL 192 Cb 0.98 1.92 0.01 0.00 -2.13 0.00 0.00 31.29 32.06 2bs4 h VAL 192 CO 0.08 0.00 -0.76 0.50 -1.23 0.00 0.00 177.57 176.15 2bs4 h LYS 193 N 0.00 0.81 0.00 5.19 3.64 -0.50 -3.29 116.57 122.41 2bs4 h LYS 193 Ca 0.00 -0.65 0.00 0.00 -1.27 0.00 0.00 60.65 58.73 2bs4 h LYS 193 Cb 0.92 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2bs4 h LYS 193 CO 0.00 1.25 -1.09 0.91 -2.27 0.00 0.00 179.45 178.26 2bs4 n TRP 194 N -3.94 0.00 -3.00 1.91 7.02 -1.12 -5.00 117.44 113.31 2bs4 n TRP 194 Ca -0.07 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.19 2bs4 n TRP 194 Cb 0.74 -0.05 0.02 0.00 -2.42 0.00 0.00 31.31 29.60 2bs4 n TRP 194 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2bs4 n GLY 195 N 1.47 -0.52 0.37 6.99 0.00 0.27 -4.89 105.19 108.88 2bs4 n GLY 195 Ca 0.03 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.29 2bs4 n GLY 195 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2bs4 h TRP 196 N -1.17 0.95 -0.36 1.61 6.55 -1.88 -2.38 115.95 119.27 2bs4 h TRP 196 Ca -0.51 0.03 -0.10 0.00 0.95 0.00 0.00 58.89 59.26 2bs4 h TRP 196 Cb 1.35 -0.29 -0.06 0.00 -0.86 0.00 0.00 29.16 29.30 2bs4 h TRP 196 CO 0.56 0.27 0.02 1.19 -1.05 0.00 0.00 178.44 179.43 2bs4 n PHE 197 N -4.66 1.19 0.16 0.49 3.72 -1.26 -4.80 117.46 112.31 2bs4 n PHE 197 Ca 0.21 -1.19 -0.09 0.00 -0.05 0.00 0.00 57.45 56.33 2bs4 n PHE 197 Cb 0.54 -0.43 -0.05 0.00 -0.94 0.00 0.00 39.48 38.60 2bs4 n PHE 197 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2bs4 h ASP 198 N 1.56 -0.63 0.00 4.37 3.32 -1.77 -3.46 116.42 119.80 2bs4 h ASP 198 Ca 0.12 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2bs4 h ASP 198 Cb 1.65 0.20 0.00 0.00 0.22 0.00 0.00 39.33 41.40 2bs4 h ASP 198 CO 0.36 -0.33 0.00 0.61 -1.72 0.00 0.00 179.24 178.15 2bs4 n GLY 199 N -1.28 0.27 0.05 2.75 0.00 -1.26 -3.29 105.19 102.43 2bs4 n GLY 199 Ca -0.06 -0.92 0.12 0.00 0.00 0.00 0.00 46.02 45.15 2bs4 n GLY 199 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bs4 n GLU 200 N 3.05 0.27 -3.22 1.61 1.02 -1.26 -4.46 120.64 117.65 2bs4 n GLU 200 Ca 0.00 0.04 -0.24 0.00 -0.02 0.00 0.00 57.16 56.94 2bs4 n GLU 200 Cb 0.00 -1.63 -0.06 0.00 -0.02 0.00 0.00 31.44 29.73 2bs4 n GLU 200 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2bs4 n THR 201 N -2.00 0.65 -0.33 2.62 -2.24 -1.25 -4.94 114.28 106.80 2bs4 n THR 201 Ca 0.03 -4.62 0.17 0.00 -2.27 0.00 0.00 64.05 57.35 2bs4 n THR 201 Cb 0.43 -1.61 0.41 0.00 -2.10 0.00 0.00 70.33 67.45 2bs4 n THR 201 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2bs4 h PRO 202 N 3.74 0.58 -0.74 -0.78 0.11 -1.77 0.90 132.00 134.04 2bs4 h PRO 202 Ca 0.12 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 2bs4 h PRO 202 Cb 0.79 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.74 2bs4 h PRO 202 CO 0.61 0.38 0.41 -0.44 -0.21 0.00 0.00 178.00 178.75 2bs4 h ASP 203 N 0.60 0.93 -0.30 -2.05 3.32 -1.92 0.29 116.42 117.28 2bs4 h ASP 203 Ca 0.57 -0.10 -0.18 0.00 0.02 0.00 0.00 57.03 57.35 2bs4 h ASP 203 Cb 1.12 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.44 2bs4 h ASP 203 CO -0.34 0.76 -0.49 0.11 -1.72 0.00 0.00 179.24 177.56 2bs4 h LYS 204 N 1.02 0.87 -0.20 3.56 1.57 -1.30 -1.99 116.57 120.11 2bs4 h LYS 204 Ca 0.26 -0.53 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2bs4 h LYS 204 Cb 0.04 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2bs4 h LYS 204 CO -0.04 1.17 0.13 1.15 -0.57 0.00 0.00 179.45 181.28 2bs4 h THR 205 N 0.66 1.06 -0.55 -0.16 2.02 -0.58 -1.72 112.91 113.64 2bs4 h THR 205 Ca 0.02 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2bs4 h THR 205 Cb 1.10 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 2bs4 h THR 205 CO 0.11 0.06 0.32 -0.09 0.37 0.00 0.00 175.52 176.29 2bs4 h ARG 206 N 0.25 0.77 -0.96 6.66 2.43 -0.43 -0.84 114.38 122.25 2bs4 h ARG 206 Ca 0.07 -0.08 0.08 0.00 -0.81 0.00 0.00 59.98 59.24 2bs4 h ARG 206 Cb -0.01 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 29.32 2bs4 h ARG 206 CO -0.01 0.58 0.61 0.00 -1.51 0.00 0.00 179.97 179.63 2bs4 h ALA 207 N 1.15 1.35 0.00 2.80 0.00 -1.05 -1.20 119.26 122.31 2bs4 h ALA 207 Ca 0.20 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2bs4 h ALA 207 Cb 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2bs4 h ALA 207 CO -0.03 0.35 -0.00 -0.91 0.00 0.00 0.00 179.25 178.65 2bs4 h ASN 208 N 1.08 -0.00 -0.43 0.00 2.35 -0.73 -2.88 115.58 114.97 2bs4 h ASN 208 Ca 0.43 -0.35 0.12 0.00 -0.55 0.00 0.00 56.30 55.95 2bs4 h ASN 208 Cb 0.24 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 2bs4 h ASN 208 CO -0.19 0.35 0.33 -0.07 -1.65 0.00 0.00 177.43 176.20 2bs4 h LEU 209 N -0.35 0.00 -0.15 1.61 3.38 -0.61 0.20 115.31 119.40 2bs4 h LEU 209 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 2bs4 h LEU 209 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2bs4 h LEU 209 CO 0.00 0.00 -0.48 0.11 0.09 0.00 0.00 178.44 178.16 2bs4 h LYS 210 N 0.00 0.59 -0.50 1.13 1.57 -1.06 0.11 116.57 118.41 2bs4 h LYS 210 Ca 0.20 -0.43 -0.07 0.00 -1.87 0.00 0.00 60.65 58.48 2bs4 h LYS 210 Cb 0.86 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 2bs4 h LYS 210 CO -0.00 1.05 0.04 0.87 -0.57 0.00 0.00 179.45 180.84 2bs4 h LYS 211 N 0.23 0.85 -0.37 3.15 1.57 -1.01 -2.14 116.57 118.85 2bs4 h LYS 211 Ca -0.02 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.54 2bs4 h LYS 211 Cb 1.11 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.30 2bs4 h LYS 211 CO 0.10 0.87 0.18 1.25 -0.57 0.00 0.00 179.45 181.28 2bs4 h LEU 212 N 0.72 0.27 0.08 2.94 5.85 -0.58 -1.17 115.31 123.42 2bs4 h LEU 212 Ca 0.15 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.91 2bs4 h LEU 212 Cb 0.45 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 2bs4 h LEU 212 CO 0.02 0.20 -0.39 0.50 -0.34 0.00 0.00 178.44 178.43 2bs4 h LYS 213 N 0.38 -0.57 -0.30 1.25 3.64 -0.51 -0.67 116.57 119.78 2bs4 h LYS 213 Ca 0.16 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.62 2bs4 h LYS 213 Cb 0.06 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 2bs4 h LYS 213 CO -0.11 -0.38 0.03 1.15 -2.27 0.00 0.00 179.45 177.87 2bs4 h THR 214 N -0.59 0.82 -0.15 1.00 2.02 -1.16 -2.07 112.91 112.77 2bs4 h THR 214 Ca 0.03 -0.04 0.04 0.00 0.77 0.00 0.00 66.41 67.21 2bs4 h THR 214 Cb 0.64 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 2bs4 h THR 214 CO -0.25 0.02 -0.12 -0.07 0.37 0.00 0.00 175.52 175.47 2bs4 h LEU 215 N 0.13 -0.39 -0.95 2.58 -0.00 -0.89 -1.01 115.31 114.79 2bs4 h LEU 215 Ca 0.14 0.08 0.12 0.00 -0.00 0.00 0.00 57.88 58.22 2bs4 h LEU 215 Cb 0.17 0.20 -0.08 0.00 -0.00 0.00 0.00 40.66 40.95 2bs4 h LEU 215 CO -0.21 -0.16 0.58 -0.03 -0.00 0.00 0.00 178.44 178.61 2bs4 h MET 216 N -0.14 0.89 0.22 1.13 4.05 -0.83 -0.75 114.93 119.51 2bs4 h MET 216 Ca 0.10 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 2bs4 h MET 216 Cb 0.28 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 2bs4 h MET 216 CO -0.23 0.59 -0.11 0.77 0.23 0.00 0.00 176.91 178.16 2bs4 h SER 217 N 0.92 -0.25 -0.07 1.39 0.02 -0.67 -1.87 113.55 113.01 2bs4 h SER 217 Ca 0.47 -0.15 0.04 0.00 -0.84 0.00 0.00 61.79 61.31 2bs4 h SER 217 Cb 0.47 0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.03 2bs4 h SER 217 CO -0.27 0.00 -0.20 0.00 -1.14 0.00 0.00 176.83 175.23 2bs4 h ALA 218 N 0.21 -0.20 0.29 3.77 0.00 -0.75 0.20 119.26 122.78 2bs4 h ALA 218 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2bs4 h ALA 218 Cb 0.38 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2bs4 h ALA 218 CO 0.05 -0.67 -0.52 0.35 0.00 0.00 0.00 179.25 178.46 2bs4 h PHE 219 N -0.28 -1.47 -0.37 0.00 3.57 -1.15 0.01 116.94 117.24 2bs4 h PHE 219 Ca 0.08 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.67 2bs4 h PHE 219 Cb 0.40 0.60 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 2bs4 h PHE 219 CO -0.28 -0.63 0.26 -0.07 -2.23 0.00 0.00 178.31 175.36 2bs4 h LEU 220 N -0.86 0.19 -0.06 0.59 3.38 -1.20 0.17 115.31 117.52 2bs4 h LEU 220 Ca -0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2bs4 h LEU 220 Cb 0.81 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2bs4 h LEU 220 CO -0.19 0.12 -0.12 0.40 0.09 0.00 0.00 178.44 178.74 2bs4 h ILE 221 N 0.21 1.43 0.35 1.22 2.04 -0.41 0.18 117.51 122.53 2bs4 h ILE 221 Ca 0.17 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.56 2bs4 h ILE 221 Cb 0.39 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 2bs4 h ILE 221 CO -0.03 0.40 -0.17 0.58 0.00 0.00 0.00 178.15 178.93 2bs4 h VAL 222 N -0.33 0.66 -0.26 1.67 2.07 -0.44 0.34 116.25 119.97 2bs4 h VAL 222 Ca 0.00 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.46 2bs4 h VAL 222 Cb 0.71 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 2bs4 h VAL 222 CO 0.03 0.03 -0.15 0.25 0.02 0.00 0.00 177.57 177.74 2bs4 h LEU 223 N -0.54 -0.51 -1.54 2.57 5.85 -0.75 0.91 115.31 121.30 2bs4 h LEU 223 Ca -0.05 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.79 2bs4 h LEU 223 Cb 0.41 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 2bs4 h LEU 223 CO 0.08 -0.19 0.31 1.23 -0.34 0.00 0.00 178.44 179.53 2bs4 h GLY 224 N -0.13 0.66 1.65 3.75 0.00 -0.40 0.94 103.07 109.54 2bs4 h GLY 224 Ca 0.14 -0.24 -0.17 0.00 0.00 0.00 0.00 47.33 47.06 2bs4 h GLY 224 CO -0.34 0.24 -0.67 1.41 0.00 0.00 0.00 176.54 177.18 2bs4 h LEU 225 N 0.63 0.41 0.41 3.11 3.38 0.98 -0.53 115.31 123.71 2bs4 h LEU 225 Ca 0.18 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2bs4 h LEU 225 Cb -0.05 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2bs4 h LEU 225 CO -0.04 0.96 -0.20 -0.07 0.09 0.00 0.00 178.44 179.18 2bs4 h LEU 226 N 0.25 -0.47 -1.06 1.67 3.38 0.05 -1.77 115.31 117.36 2bs4 h LEU 226 Ca -0.02 -0.11 0.20 0.00 0.09 0.00 0.00 57.88 58.04 2bs4 h LEU 226 Cb 1.21 0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.98 2bs4 h LEU 226 CO 0.11 -0.07 0.61 0.74 0.09 0.00 0.00 178.44 179.92 2bs4 h THR 227 N -0.96 0.67 0.58 0.22 2.02 -0.89 -0.72 112.91 113.83 2bs4 h THR 227 Ca -0.06 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 2bs4 h THR 227 Cb 0.55 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 2bs4 h THR 227 CO 0.09 0.13 -0.46 0.15 0.37 0.00 0.00 175.52 175.80 2bs4 h PHE 228 N 0.69 -1.24 -0.95 3.16 3.57 -0.92 -2.29 116.94 118.96 2bs4 h PHE 228 Ca 0.58 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 62.28 2bs4 h PHE 228 Cb 1.00 0.47 -0.11 0.00 2.79 0.00 0.00 35.95 40.09 2bs4 h PHE 228 CO -0.00 -0.64 0.52 0.78 -2.23 0.00 0.00 178.31 176.74 2bs4 h GLY 229 N -1.00 1.68 0.18 2.40 0.00 -0.32 -0.90 103.07 105.10 2bs4 h GLY 229 Ca -0.08 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2bs4 h GLY 229 CO 0.01 -0.15 -0.44 0.00 0.00 0.00 0.00 176.54 175.97 2bs4 h ALA 230 N 1.66 -0.97 -0.98 3.60 0.00 -0.73 0.62 119.26 122.46 2bs4 h ALA 230 Ca 0.57 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.48 2bs4 h ALA 230 Cb 0.96 0.79 -0.08 0.00 0.00 0.00 0.00 17.79 19.46 2bs4 h ALA 230 CO -0.43 -1.06 0.62 1.88 0.00 0.00 0.00 179.25 180.26 2bs4 h TYR 231 N -0.68 1.10 0.77 0.00 0.05 -0.80 -2.62 116.97 114.79 2bs4 h TYR 231 Ca -0.02 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 2bs4 h TYR 231 Cb 0.66 -0.35 0.01 0.00 1.01 0.00 0.00 36.73 38.05 2bs4 h TYR 231 CO -0.38 0.46 -0.37 0.28 -1.05 0.00 0.00 178.16 177.10 2bs4 h VAL 232 N 0.98 0.22 -0.23 -2.88 2.07 -0.51 -2.27 116.25 113.62 2bs4 h VAL 232 Ca 0.48 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.99 2bs4 h VAL 232 Cb 0.47 0.23 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 2bs4 h VAL 232 CO -0.24 0.01 -0.22 0.50 0.02 0.00 0.00 177.57 177.64 2bs4 h LYS 233 N -1.08 -0.22 -0.56 1.57 3.64 -0.63 -1.14 116.57 118.15 2bs4 h LYS 233 Ca -0.11 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.38 2bs4 h LYS 233 Cb 0.80 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.60 2bs4 h LYS 233 CO 0.17 -0.15 0.17 0.87 -2.27 0.00 0.00 179.45 178.25 2bs4 h LYS 234 N -0.23 0.32 -0.92 1.90 1.57 -1.50 -1.22 116.57 116.49 2bs4 h LYS 234 Ca 0.13 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2bs4 h LYS 234 Cb 0.43 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 2bs4 h LYS 234 CO -0.36 0.21 0.60 0.78 -0.57 0.00 0.00 179.45 180.11 2bs4 h GLY 235 N 0.33 1.32 1.69 3.86 0.00 -0.76 -0.69 103.07 108.83 2bs4 h GLY 235 Ca 0.28 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2bs4 h GLY 235 CO -0.31 0.41 0.00 1.04 0.00 0.00 0.00 176.54 177.68 2bs4 n LEU 236 N -4.49 0.00 -0.79 3.11 4.77 -0.50 -2.08 117.00 117.02 2bs4 n LEU 236 Ca 0.11 0.35 0.07 0.00 -0.03 0.00 0.00 56.01 56.51 2bs4 n LEU 236 Cb 0.07 -0.35 0.17 0.00 -2.33 0.00 0.00 43.42 40.98 2bs4 n LEU 236 CO 0.35 -0.18 0.63 -0.62 -1.33 0.00 0.00 177.39 176.24 2bs4 n GLU 237 N -1.35 2.44 -3.00 3.23 1.02 -0.27 -4.74 120.64 117.96 2bs4 n GLU 237 Ca 0.06 -2.04 -0.44 0.00 -0.02 0.00 0.00 57.16 54.71 2bs4 n GLU 237 Cb 0.13 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 2bs4 n GLU 237 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2bs4 n GLN 238 N 0.85 3.71 0.04 3.49 6.02 -0.88 -4.77 117.38 125.83 2bs4 n GLN 238 Ca 0.14 -4.16 0.05 0.00 -0.01 0.00 0.00 57.00 53.02 2bs4 n GLN 238 Cb 0.46 -2.74 -0.07 0.00 1.02 0.00 0.00 30.24 28.91 2bs4 n GLN 238 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2bs4 n THR 239 N 3.03 0.81 -1.93 5.09 -2.24 -1.26 -4.91 114.28 112.86 2bs4 n THR 239 Ca 0.31 -0.62 -0.43 0.00 -2.27 0.00 0.00 64.05 61.04 2bs4 n THR 239 Cb 0.38 -0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.13 2bs4 n THR 239 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bs4 s ASP 240 N -5.41 6.05 0.00 3.42 -1.08 -1.26 -4.87 116.67 113.52 2bs4 s ASP 240 Ca -0.03 1.69 0.15 0.00 -0.52 0.00 0.00 52.55 53.84 2bs4 s ASP 240 Cb 0.10 -2.53 0.66 0.00 -1.46 0.00 0.00 42.92 39.69 2bs4 s ASP 240 CO 0.82 -1.52 1.50 -0.81 0.52 0.00 0.00 175.17 175.67 2bs4 n PRO 241 N 8.12 0.00 0.00 4.34 -0.04 -1.26 -2.49 135.00 143.67 2bs4 n PRO 241 Ca 0.22 0.23 0.11 0.00 -0.04 0.00 0.00 63.50 64.03 2bs4 n PRO 241 Cb 0.45 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.54 2bs4 n PRO 241 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2bs4 n ASN 242 N -1.50 0.82 -4.75 3.54 3.02 -1.26 -4.86 115.26 110.27 2bs4 n ASN 242 Ca 0.04 -0.64 -0.36 0.00 -0.03 0.00 0.00 54.58 53.59 2bs4 n ASN 242 Cb 0.18 0.49 -0.07 0.00 -0.61 0.00 0.00 39.78 39.76 2bs4 n ASN 242 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2bs4 s ILE 243 N -2.91 5.37 -0.97 2.41 1.01 -1.04 -5.03 121.20 120.05 2bs4 s ILE 243 Ca 0.12 0.35 -0.16 0.00 0.00 0.00 0.00 60.65 60.96 2bs4 s ILE 243 Cb 0.17 -3.53 0.17 0.00 0.01 0.00 0.00 42.46 39.28 2bs4 s ILE 243 CO 0.72 0.44 1.10 -0.62 0.00 0.00 0.00 174.94 176.59 2bs4 s ASP 244 N 0.21 6.80 0.19 3.58 2.15 -1.26 -4.88 116.67 123.46 2bs4 s ASP 244 Ca 0.12 -2.49 -0.08 0.00 0.43 0.00 0.00 52.55 50.54 2bs4 s ASP 244 Cb -0.12 -2.34 0.11 0.00 -0.30 0.00 0.00 42.92 40.27 2bs4 s ASP 244 CO 0.01 -0.83 1.64 1.88 -0.17 0.00 0.00 175.17 177.70 2bs4 h TYR 245 N 8.12 1.09 -0.80 -5.34 -1.99 -1.95 -1.82 116.97 114.27 2bs4 h TYR 245 Ca 0.18 -0.20 0.15 0.00 2.00 0.00 0.00 58.73 60.85 2bs4 h TYR 245 Cb 0.99 -0.28 -0.10 0.00 2.00 0.00 0.00 36.73 39.34 2bs4 h TYR 245 CO 1.09 1.00 0.35 -0.22 -0.00 0.00 0.00 178.16 180.38 2bs4 h LYS 246 N 0.89 0.48 -0.27 4.88 1.63 -1.89 -2.28 116.57 120.00 2bs4 h LYS 246 Ca 0.15 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 2bs4 h LYS 246 Cb 0.61 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 2bs4 h LYS 246 CO 0.04 0.32 0.00 0.66 -3.45 0.00 0.00 179.45 177.02 2bs4 n TYR 247 N -4.97 0.79 0.04 1.91 4.02 -1.21 -4.64 117.16 113.10 2bs4 n TYR 247 Ca 0.16 -0.79 -0.12 0.00 -0.01 0.00 0.00 57.90 57.14 2bs4 n TYR 247 Cb 0.44 -0.24 -0.06 0.00 -0.02 0.00 0.00 39.34 39.46 2bs4 n TYR 247 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 2bs4 h PHE 248 N 1.78 -0.06 -0.74 -0.72 3.57 -0.71 -1.86 116.94 118.20 2bs4 h PHE 248 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2bs4 h PHE 248 Cb 1.25 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.98 2bs4 h PHE 248 CO 0.41 -0.04 0.35 -0.44 -2.23 0.00 0.00 178.31 176.36 2bs4 h ASP 249 N -0.04 0.96 -0.68 0.41 3.32 -1.85 -2.57 116.42 115.98 2bs4 h ASP 249 Ca 0.01 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 2bs4 h ASP 249 Cb 0.06 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 2bs4 h ASP 249 CO -0.03 0.82 0.17 0.22 -1.72 0.00 0.00 179.24 178.70 2bs4 h TYR 250 N 1.05 1.13 0.00 4.55 3.20 -1.69 -3.28 116.97 121.93 2bs4 h TYR 250 Ca 0.25 -0.13 -0.60 0.00 3.14 0.00 0.00 58.73 61.39 2bs4 h TYR 250 Cb 0.12 -0.32 0.01 0.00 1.54 0.00 0.00 36.73 38.08 2bs4 h TYR 250 CO 0.01 0.92 3.09 1.63 -1.64 0.00 0.00 178.16 182.17 2bs4 n LYS 251 N -4.28 2.69 0.00 1.82 5.02 -0.71 -2.40 118.16 120.30 2bs4 n LYS 251 Ca 0.05 -2.04 0.00 0.00 -2.02 0.00 0.00 58.31 54.30 2bs4 n LYS 251 Cb 0.25 -2.85 0.00 0.00 -0.02 0.00 0.00 35.03 32.41 2bs4 n LYS 251 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2bs4 n ARG 252 N 4.95 0.00 -1.10 1.97 1.74 -1.24 -4.93 116.66 118.06 2bs4 n ARG 252 Ca 0.58 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.70 2bs4 n ARG 252 Cb 0.27 -0.17 0.04 0.00 -1.02 0.00 0.00 32.46 31.57 2bs4 n ARG 252 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2bs4 n THR 253 N -2.00 0.26 -3.61 0.55 -1.04 -1.19 -4.99 114.28 102.27 2bs4 n THR 253 Ca 0.00 -0.97 -0.21 0.00 -2.04 0.00 0.00 64.05 60.83 2bs4 n THR 253 Cb 0.00 0.71 0.06 0.00 -1.82 0.00 0.00 70.33 69.28 2bs4 n THR 253 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2bs4 n HIS 254 N 0.15 -2.15 0.00 -1.42 8.25 -1.09 -3.57 115.22 115.39 2bs4 n HIS 254 Ca 0.06 0.90 0.00 0.00 -0.26 0.00 0.00 57.72 58.42 2bs4 n HIS 254 Cb 0.97 -4.69 0.00 0.00 1.12 0.00 0.00 29.99 27.39 2bs4 n HIS 254 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56