#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkx s LYS 2 N 0.00 3.94 -0.19 2.12 2.20 0.21 -5.01 119.74 123.00 2bkx s LYS 2 Ca 0.00 -0.08 -0.06 0.00 -0.36 0.00 0.00 55.97 55.47 2bkx s LYS 2 Cb 0.00 -3.68 -0.03 0.00 -1.51 0.00 0.00 37.83 32.61 2bkx s LYS 2 CO 0.00 -0.30 0.02 0.08 -0.36 0.00 0.00 175.35 174.79 2bkx s VAL 3 N 2.02 4.26 -0.22 4.02 1.01 -1.26 -0.37 120.40 129.86 2bkx s VAL 3 Ca 0.13 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.92 2bkx s VAL 3 Cb -0.16 -2.92 0.05 0.00 0.00 0.00 0.00 36.38 33.34 2bkx s VAL 3 CO 0.10 0.43 -0.11 -0.04 0.00 0.00 0.00 175.10 175.49 2bkx s MET 4 N 0.79 2.16 0.14 2.72 -1.94 0.22 -4.97 119.30 118.42 2bkx s MET 4 Ca 0.01 -1.04 -0.30 0.00 -1.71 0.00 0.00 55.69 52.66 2bkx s MET 4 Cb -0.14 -2.62 -0.07 0.00 2.01 0.00 0.00 34.83 34.01 2bkx s MET 4 CO 0.02 -0.48 1.01 -2.00 -0.01 0.00 0.00 175.02 173.57 2bkx s GLU 5 N 1.28 4.67 -0.01 2.03 2.12 -1.26 -1.52 118.70 126.01 2bkx s GLU 5 Ca -0.04 1.55 0.05 0.00 0.36 0.00 0.00 54.97 56.89 2bkx s GLU 5 Cb -0.18 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 2bkx s GLU 5 CO -0.07 0.17 -0.14 0.00 -0.54 0.00 0.00 175.26 174.68 2bkx h GLN 7 N 4.88 0.33 -3.94 0.00 4.15 -1.95 -2.78 115.11 115.80 2bkx h GLN 7 Ca -0.47 -0.16 -0.11 0.00 0.77 0.00 0.00 58.65 58.68 2bkx h GLN 7 Cb 1.16 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 28.71 2bkx h GLN 7 CO 0.50 0.70 -0.39 0.95 -1.93 0.00 0.00 178.83 178.66 2bkx s THR 8 N -4.15 0.10 0.32 2.39 -4.23 -1.26 -4.36 115.64 104.45 2bkx s THR 8 Ca -0.05 -1.40 0.02 0.00 -1.18 0.00 0.00 61.69 59.09 2bkx s THR 8 Cb 0.13 -1.68 0.29 0.00 1.34 0.00 0.00 72.50 72.58 2bkx s THR 8 CO 0.79 -0.47 1.91 0.22 -0.54 0.00 0.00 174.62 176.53 2bkx h TYR 9 N 2.68 0.97 -0.48 3.99 3.20 -1.99 -1.57 116.97 123.76 2bkx h TYR 9 Ca -0.33 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.46 2bkx h TYR 9 Cb 1.21 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 2bkx h TYR 9 CO 0.42 0.49 -0.11 0.93 -1.64 0.00 0.00 178.16 178.25 2bkx h GLU 10 N 0.94 0.89 -0.34 1.82 3.07 -1.99 -0.33 114.58 118.64 2bkx h GLU 10 Ca 0.38 -0.31 -0.12 0.00 -0.50 0.00 0.00 59.36 58.82 2bkx h GLU 10 Cb 0.27 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 2bkx h GLU 10 CO -0.15 0.95 -0.24 1.49 -1.40 0.00 0.00 179.01 179.66 2bkx h GLU 11 N 0.80 0.77 -0.65 2.33 4.81 -1.86 -0.74 114.58 120.03 2bkx h GLU 11 Ca 0.13 -0.37 0.08 0.00 -0.13 0.00 0.00 59.36 59.07 2bkx h GLU 11 Cb 0.62 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.93 2bkx h GLU 11 CO 0.04 0.99 0.32 1.25 -0.73 0.00 0.00 179.01 180.88 2bkx h LEU 12 N 0.55 0.43 -0.64 1.64 6.46 -1.06 -1.05 115.31 121.64 2bkx h LEU 12 Ca 0.07 0.05 -0.12 0.00 -0.12 0.00 0.00 57.88 57.76 2bkx h LEU 12 Cb 0.80 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.69 2bkx h LEU 12 CO 0.06 0.26 -0.19 0.28 -0.62 0.00 0.00 178.44 178.24 2bkx h SER 13 N 0.57 0.88 0.00 1.25 0.02 -0.85 -0.51 113.55 114.92 2bkx h SER 13 Ca 0.31 -0.31 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2bkx h SER 13 Cb 0.29 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2bkx h SER 13 CO -0.24 1.05 -0.00 -0.61 -1.14 0.00 0.00 176.83 175.89 2bkx h GLN 14 N 0.77 -0.01 -0.61 3.45 4.15 -0.63 -0.99 115.11 121.24 2bkx h GLN 14 Ca 0.11 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.49 2bkx h GLN 14 Cb 0.72 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.39 2bkx h GLN 14 CO 0.06 0.02 0.21 0.82 -1.93 0.00 0.00 178.83 178.01 2bkx h ILE 15 N -0.03 1.24 -0.49 2.39 2.04 -1.08 -1.08 117.51 120.50 2bkx h ILE 15 Ca -0.00 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 2bkx h ILE 15 Cb 0.03 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2bkx h ILE 15 CO 0.00 0.31 0.19 0.00 0.00 0.00 0.00 178.15 178.64 2bkx h ALA 16 N 1.07 0.64 -0.71 1.87 0.00 -1.03 -1.03 119.26 120.07 2bkx h ALA 16 Ca 0.20 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2bkx h ALA 16 Cb 0.26 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2bkx h ALA 16 CO -0.01 0.26 0.27 0.00 0.00 0.00 0.00 179.25 179.77 2bkx h ALA 17 N 1.03 1.13 -0.43 0.00 0.00 -1.01 -1.49 119.26 118.50 2bkx h ALA 17 Ca 0.16 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2bkx h ALA 17 Cb 0.21 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2bkx h ALA 17 CO -0.01 0.62 0.11 -0.09 0.00 0.00 0.00 179.25 179.88 2bkx h ARG 18 N 1.04 0.67 -0.75 0.00 9.65 -0.73 0.15 114.38 124.41 2bkx h ARG 18 Ca 0.24 -0.16 -0.03 0.00 -1.10 0.00 0.00 59.98 58.93 2bkx h ARG 18 Cb 0.22 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.68 2bkx h ARG 18 CO -0.02 0.68 0.35 0.82 2.80 0.00 0.00 179.97 184.60 2bkx h ILE 19 N 0.55 1.25 -0.27 1.20 2.04 -1.04 0.12 117.51 121.36 2bkx h ILE 19 Ca 0.13 -0.71 -0.05 0.00 1.00 0.00 0.00 64.86 65.24 2bkx h ILE 19 Cb 0.30 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 2bkx h ILE 19 CO -0.00 0.30 -0.01 0.74 0.00 0.00 0.00 178.15 179.17 2bkx h THR 20 N 1.07 1.26 -0.95 -0.27 2.02 -1.05 -2.20 112.91 112.78 2bkx h THR 20 Ca 0.26 -0.95 0.07 0.00 0.77 0.00 0.00 66.41 66.56 2bkx h THR 20 Cb 0.14 1.35 -0.07 0.00 -1.74 0.00 0.00 68.15 67.84 2bkx h THR 20 CO -0.03 0.30 0.61 0.00 0.37 0.00 0.00 175.52 176.77 2bkx h ALA 21 N 0.81 1.33 -0.84 6.16 0.00 -0.39 -1.64 119.26 124.70 2bkx h ALA 21 Ca 0.07 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.04 2bkx h ALA 21 Cb 0.44 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 2bkx h ALA 21 CO 0.02 0.37 0.51 -0.44 0.00 0.00 0.00 179.25 179.70 2bkx h ASP 22 N 1.09 0.78 -0.50 0.00 3.32 -0.47 -0.38 116.42 120.26 2bkx h ASP 22 Ca 0.42 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.42 2bkx h ASP 22 Cb 0.19 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2bkx h ASP 22 CO -0.18 0.48 0.01 0.74 -1.72 0.00 0.00 179.24 178.57 2bkx h THR 23 N 0.90 1.26 -0.62 0.35 2.02 -0.70 -1.31 112.91 114.81 2bkx h THR 23 Ca 0.37 -1.06 -0.06 0.00 0.77 0.00 0.00 66.41 66.44 2bkx h THR 23 Cb 0.22 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 2bkx h THR 23 CO -0.19 0.37 0.17 0.40 0.37 0.00 0.00 175.52 176.65 2bkx h ILE 24 N 0.73 1.25 0.07 3.11 2.04 -0.86 -2.52 117.51 121.34 2bkx h ILE 24 Ca 0.14 -0.88 -0.25 0.00 1.00 0.00 0.00 64.86 64.88 2bkx h ILE 24 Cb 0.50 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2bkx h ILE 24 CO 0.02 0.33 -1.13 0.11 0.00 0.00 0.00 178.15 177.48 2bkx h LYS 25 N 0.90 0.16 -0.42 2.37 1.79 -0.93 -2.43 116.57 118.01 2bkx h LYS 25 Ca 0.20 -0.27 -0.08 0.00 -2.18 0.00 0.00 60.65 58.33 2bkx h LYS 25 Cb 0.32 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 2bkx h LYS 25 CO -0.00 1.12 -0.05 1.49 -1.08 0.00 0.00 179.45 180.93 2bkx h GLU 26 N 0.04 0.71 -2.64 3.15 4.81 -1.24 -3.38 114.58 116.04 2bkx h GLU 26 Ca -0.08 -0.20 -0.59 0.00 -0.13 0.00 0.00 59.36 58.36 2bkx h GLU 26 Cb 1.88 -0.08 -0.39 0.00 0.63 0.00 0.00 28.75 30.79 2bkx h GLU 26 CO 0.17 0.76 -0.84 0.21 -0.73 0.00 0.00 179.01 178.58 2bkx s LYS 27 N -4.89 0.72 0.59 1.92 2.20 -0.95 -5.01 119.74 114.33 2bkx s LYS 27 Ca -0.09 -1.53 0.29 0.00 -0.36 0.00 0.00 55.97 54.28 2bkx s LYS 27 Cb 0.14 -1.51 1.62 0.00 -1.51 0.00 0.00 37.83 36.57 2bkx s LYS 27 CO 0.80 -1.22 2.05 -1.35 -0.36 0.00 0.00 175.35 175.28 2bkx h PRO 28 N 6.84 0.00 -0.91 4.03 0.11 -1.62 0.67 132.00 141.12 2bkx h PRO 28 Ca 0.06 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.86 2bkx h PRO 28 Cb 0.96 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 31.88 2bkx h PRO 28 CO 0.31 0.00 0.39 -0.40 -0.21 0.00 0.00 178.00 178.10 2bkx n ASP 29 N -3.77 3.93 -4.73 -2.05 5.75 -1.25 -2.61 116.55 111.82 2bkx n ASP 29 Ca 0.03 -3.16 -0.37 0.00 -0.01 0.00 0.00 54.79 51.29 2bkx n ASP 29 Cb 0.40 -0.74 0.07 0.00 -1.03 0.00 0.00 41.12 39.82 2bkx n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bkx s ALA 30 N -2.60 2.33 -0.31 2.12 0.00 0.23 -4.64 121.76 118.89 2bkx s ALA 30 Ca 0.45 1.20 -0.10 0.00 0.00 0.00 0.00 51.96 53.51 2bkx s ALA 30 Cb 0.37 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 2bkx s ALA 30 CO 0.10 -1.66 0.16 0.08 0.00 0.00 0.00 175.76 174.43 2bkx s VAL 31 N -1.44 4.65 -0.19 0.00 1.01 -1.26 -1.34 120.40 121.83 2bkx s VAL 31 Ca 0.82 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 62.31 2bkx s VAL 31 Cb -0.37 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2bkx s VAL 31 CO 0.41 0.05 0.07 -0.76 0.00 0.00 0.00 175.10 174.87 2bkx s LEU 32 N 1.62 3.80 -0.10 3.92 1.43 0.23 -0.33 118.68 129.24 2bkx s LEU 32 Ca 0.05 0.06 -0.21 0.00 -1.03 0.00 0.00 54.13 53.00 2bkx s LEU 32 Cb -0.17 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 2bkx s LEU 32 CO 0.07 0.15 0.60 -0.83 0.23 0.00 0.00 176.35 176.57 2bkx s GLY 33 N 0.50 2.46 0.24 -3.19 0.00 0.10 -0.96 107.32 106.47 2bkx s GLY 33 Ca 0.03 -0.05 0.08 0.00 0.00 0.00 0.00 44.72 44.79 2bkx s GLY 33 CO 0.01 1.04 -0.13 1.08 0.00 0.00 0.00 173.10 175.09 2bkx s LEU 34 N 0.87 2.55 0.11 0.66 1.43 0.44 -0.87 118.68 123.87 2bkx s LEU 34 Ca 0.32 -1.06 0.05 0.00 -1.03 0.00 0.00 54.13 52.41 2bkx s LEU 34 Cb -0.16 -0.75 -0.04 0.00 0.03 0.00 0.00 46.19 45.27 2bkx s LEU 34 CO 0.14 -0.17 -0.13 0.00 0.23 0.00 0.00 176.35 176.42 2bkx s ALA 35 N -2.89 1.32 0.00 4.21 0.00 -1.26 -1.78 121.76 121.36 2bkx s ALA 35 Ca 0.26 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2bkx s ALA 35 Cb -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.07 2bkx s ALA 35 CO 0.10 0.07 0.00 0.25 0.00 0.00 0.00 175.76 176.18 2bkx n THR 36 N 0.68 0.00 -0.14 0.00 -2.24 -1.26 -4.88 114.28 106.43 2bkx n THR 36 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2bkx n THR 36 Cb 0.57 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 2bkx n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bkx n GLY 37 N 5.00 -3.46 0.19 3.38 0.00 -1.26 -4.59 105.19 104.45 2bkx n GLY 37 Ca 0.00 -1.90 -0.07 0.00 0.00 0.00 0.00 46.02 44.04 2bkx n GLY 37 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bkx h GLY 38 N 0.00 0.45 0.99 -0.02 0.00 -2.02 -3.37 103.07 99.11 2bkx h GLY 38 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.80 2bkx h GLY 38 CO 0.00 0.48 0.25 -0.84 0.00 0.00 0.00 176.54 176.43 2bkx h THR 39 N 0.31 1.12 -0.07 4.70 2.02 -1.96 -2.66 112.91 116.38 2bkx h THR 39 Ca 0.00 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.92 2bkx h THR 39 Cb 1.09 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 2bkx h THR 39 CO 0.10 0.12 0.00 -0.81 0.37 0.00 0.00 175.52 175.30 2bkx n PRO 40 N -4.78 1.26 -0.15 6.66 -0.04 -1.26 -4.27 135.00 132.42 2bkx n PRO 40 Ca 0.01 -0.39 -0.04 0.00 -0.04 0.00 0.00 63.50 63.04 2bkx n PRO 40 Cb 0.04 -1.29 0.05 0.00 -0.04 0.00 0.00 33.50 32.27 2bkx n PRO 40 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2bkx h GLU 41 N 0.76 0.31 -0.35 0.54 4.39 -1.64 -1.35 114.58 117.24 2bkx h GLU 41 Ca 0.00 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 2bkx h GLU 41 Cb 0.17 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 2bkx h GLU 41 CO 0.00 0.21 -0.01 0.78 -1.16 0.00 0.00 179.01 178.82 2bkx h GLY 42 N 0.32 0.60 0.96 -3.84 0.00 -1.81 -2.13 103.07 97.16 2bkx h GLY 42 Ca 0.23 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 2bkx h GLY 42 CO -0.24 0.34 0.16 -0.84 0.00 0.00 0.00 176.54 175.96 2bkx h THR 43 N 0.53 1.12 -0.77 4.70 2.02 -1.50 -0.26 112.91 118.75 2bkx h THR 43 Ca 0.11 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 2bkx h THR 43 Cb 0.36 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 2bkx h THR 43 CO 0.01 0.12 0.32 1.88 0.37 0.00 0.00 175.52 178.23 2bkx h TYR 44 N 0.35 1.16 -0.55 3.16 0.05 -1.10 0.21 116.97 120.25 2bkx h TYR 44 Ca 0.10 -0.08 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 2bkx h TYR 44 Cb 0.06 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 37.42 2bkx h TYR 44 CO -0.03 0.88 0.34 0.00 -1.05 0.00 0.00 178.16 178.30 2bkx h ARG 45 N 1.11 0.74 -0.20 4.88 3.08 -1.14 -1.59 114.38 121.26 2bkx h ARG 45 Ca 0.26 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 60.11 2bkx h ARG 45 Cb 0.20 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2bkx h ARG 45 CO -0.02 0.53 -0.46 0.37 -1.07 0.00 0.00 179.97 179.31 2bkx h GLN 46 N 0.74 0.51 -0.75 0.04 5.75 -0.71 -1.21 115.11 119.48 2bkx h GLN 46 Ca 0.20 -0.28 0.05 0.00 -0.15 0.00 0.00 58.65 58.47 2bkx h GLN 46 Cb -0.03 0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.48 2bkx h GLN 46 CO -0.04 0.86 0.45 -0.07 -2.65 0.00 0.00 178.83 177.39 2bkx h LEU 47 N 0.41 0.70 -0.72 -2.39 3.38 -0.65 -1.11 115.31 114.93 2bkx h LEU 47 Ca 0.03 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 2bkx h LEU 47 Cb 0.96 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 2bkx h LEU 47 CO 0.09 0.46 0.18 0.40 0.09 0.00 0.00 178.44 179.66 2bkx h ILE 48 N 0.84 1.26 -0.51 1.22 2.04 -1.11 -1.93 117.51 119.32 2bkx h ILE 48 Ca 0.33 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 65.24 2bkx h ILE 48 Cb 0.15 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 2bkx h ILE 48 CO -0.16 0.37 0.32 0.03 0.00 0.00 0.00 178.15 178.71 2bkx h ARG 49 N 1.08 0.63 0.00 2.37 2.47 -0.74 -2.20 114.38 117.99 2bkx h ARG 49 Ca 0.23 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.89 2bkx h ARG 49 Cb 0.36 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.54 2bkx h ARG 49 CO 0.00 0.42 -0.11 -0.07 0.56 0.00 0.00 179.97 180.77 2bkx h LEU 50 N 0.65 0.00 -1.12 3.04 3.38 -0.82 0.15 115.31 120.58 2bkx h LEU 50 Ca 0.20 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.28 2bkx h LEU 50 Cb -0.03 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.65 2bkx h LEU 50 CO -0.07 0.11 0.61 -0.74 0.09 0.00 0.00 178.44 178.44 2bkx h HIS 51 N 0.00 1.02 0.00 1.13 2.76 -0.70 0.08 115.15 119.44 2bkx h HIS 51 Ca -0.00 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 2bkx h HIS 51 Cb 0.21 -0.33 -0.00 0.00 1.55 0.00 0.00 27.41 28.84 2bkx h HIS 51 CO 0.00 0.42 -0.15 1.96 -1.30 0.00 0.00 177.93 178.87 2bkx h GLN 52 N 0.91 0.00 0.00 5.26 4.20 -0.96 -2.95 115.11 121.57 2bkx h GLN 52 Ca 0.46 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.12 2bkx h GLN 52 Cb 0.51 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 2bkx h GLN 52 CO -0.22 0.19 -0.25 1.79 -0.67 0.00 0.00 178.83 179.66 2bkx h THR 53 N -1.00 0.64 0.00 -0.54 1.35 -0.78 -3.21 112.91 109.37 2bkx h THR 53 Ca -0.02 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 2bkx h THR 53 Cb 0.29 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 2bkx h THR 53 CO -0.01 0.25 0.00 -0.62 -0.25 0.00 0.00 175.52 174.89 2bkx n GLU 54 N -3.45 1.19 -3.54 4.72 1.02 -0.02 -5.00 120.64 115.57 2bkx n GLU 54 Ca -0.00 -0.95 -0.26 0.00 -0.02 0.00 0.00 57.16 55.93 2bkx n GLU 54 Cb 0.43 -0.89 0.04 0.00 -0.02 0.00 0.00 31.44 31.00 2bkx n GLU 54 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2bkx n ASN 55 N -0.25 -5.37 -4.69 1.62 5.15 -1.00 -4.88 115.26 105.84 2bkx n ASN 55 Ca 0.00 -0.54 -0.42 0.00 -0.60 0.00 0.00 54.58 53.02 2bkx n ASN 55 Cb 0.21 -4.30 -0.03 0.00 -0.53 0.00 0.00 39.78 35.14 2bkx n ASN 55 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2bkx s LEU 56 N -7.03 4.31 -0.11 1.20 2.96 -1.04 -4.98 118.68 113.99 2bkx s LEU 56 Ca 0.52 1.99 -0.05 0.00 -0.22 0.00 0.00 54.13 56.37 2bkx s LEU 56 Cb -0.25 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.84 2bkx s LEU 56 CO 0.64 -0.64 0.08 -0.55 -1.32 0.00 0.00 176.35 174.57 2bkx s SER 57 N 1.60 5.91 -0.10 3.68 0.15 -1.26 -4.39 113.70 119.29 2bkx s SER 57 Ca 0.60 0.32 0.15 0.00 0.70 0.00 0.00 55.95 57.72 2bkx s SER 57 Cb -0.29 -1.84 0.48 0.00 -1.71 0.00 0.00 66.02 62.66 2bkx s SER 57 CO 0.25 0.38 1.39 0.49 1.20 0.00 0.00 173.24 176.96 2bkx n PHE 58 N 2.14 0.86 0.13 3.44 3.01 -1.26 -4.80 117.46 120.98 2bkx n PHE 58 Ca -0.19 -0.70 0.08 0.00 1.01 0.00 0.00 57.45 57.65 2bkx n PHE 58 Cb 0.54 -0.20 0.57 0.00 -0.01 0.00 0.00 39.48 40.38 2bkx n PHE 58 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 2bkx h GLN 59 N 2.23 0.20 -0.29 -1.08 4.20 -1.88 -2.75 115.11 115.73 2bkx h GLN 59 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2bkx h GLN 59 Cb 1.19 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.93 2bkx h GLN 59 CO 0.15 0.13 0.00 0.09 -0.67 0.00 0.00 178.83 178.53 2bkx n ASN 60 N -4.50 2.78 -4.82 1.46 3.02 -1.25 -4.09 115.26 107.86 2bkx n ASN 60 Ca 0.01 -2.00 -0.33 0.00 -0.03 0.00 0.00 54.58 52.24 2bkx n ASN 60 Cb 0.16 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 2bkx n ASN 60 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2bkx s ILE 61 N -1.00 4.12 0.05 2.41 -4.36 -1.03 -3.95 121.20 117.44 2bkx s ILE 61 Ca 0.19 1.15 0.09 0.00 -0.26 0.00 0.00 60.65 61.82 2bkx s ILE 61 Cb 0.10 -3.54 -0.03 0.00 1.25 0.00 0.00 42.46 40.24 2bkx s ILE 61 CO 0.13 -0.45 -0.25 -0.89 0.24 0.00 0.00 174.94 173.72 2bkx s THR 62 N -2.33 2.26 0.08 8.37 2.01 -0.45 -4.69 115.64 120.89 2bkx s THR 62 Ca 0.63 -1.40 0.06 0.00 0.31 0.00 0.00 61.69 61.29 2bkx s THR 62 Cb -0.13 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 2bkx s THR 62 CO 0.26 0.33 -0.15 0.42 -0.69 0.00 0.00 174.62 174.80 2bkx s THR 63 N -0.85 1.20 -0.04 -0.82 -4.23 -0.33 -0.60 115.64 109.97 2bkx s THR 63 Ca 0.12 -1.34 0.02 0.00 -1.18 0.00 0.00 61.69 59.32 2bkx s THR 63 Cb -0.10 -1.14 0.01 0.00 1.34 0.00 0.00 72.50 72.60 2bkx s THR 63 CO 0.03 -0.20 -0.10 0.68 -0.54 0.00 0.00 174.62 174.49 2bkx s VAL 64 N -1.25 0.94 0.18 2.29 -7.23 -0.14 -0.67 120.40 114.53 2bkx s VAL 64 Ca -0.01 -0.41 -0.02 0.00 -1.81 0.00 0.00 61.98 59.73 2bkx s VAL 64 Cb -0.10 -0.85 -0.05 0.00 0.56 0.00 0.00 36.38 35.94 2bkx s VAL 64 CO 0.03 0.30 0.39 0.20 -0.31 0.00 0.00 175.10 175.70 2bkx s ASN 65 N 0.42 6.42 0.19 4.85 0.01 -0.45 -0.42 114.94 125.96 2bkx s ASN 65 Ca -0.08 0.47 -0.11 0.00 -0.71 0.00 0.00 52.86 52.43 2bkx s ASN 65 Cb -0.12 -2.04 0.12 0.00 0.41 0.00 0.00 41.25 39.62 2bkx s ASN 65 CO 0.02 -0.01 1.80 -0.07 -1.51 0.00 0.00 177.10 177.32 2bkx h LEU 66 N 2.29 0.87 -7.63 0.60 3.38 -1.71 -3.43 115.31 109.68 2bkx h LEU 66 Ca -0.47 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.41 2bkx h LEU 66 Cb 1.18 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.62 2bkx h LEU 66 CO 0.70 0.73 0.17 1.51 0.09 0.00 0.00 178.44 181.63 2bkx s ASP 67 N -6.03 -0.35 -0.09 -0.43 -4.77 -1.26 -0.43 116.67 103.31 2bkx s ASP 67 Ca -0.13 -0.40 -0.22 0.00 -3.30 0.00 0.00 52.55 48.50 2bkx s ASP 67 Cb 0.14 0.65 0.05 0.00 -1.09 0.00 0.00 42.92 42.67 2bkx s ASP 67 CO 0.79 -1.16 0.52 -0.70 0.70 0.00 0.00 175.17 175.32 2bkx s GLU 68 N -3.86 0.80 0.36 2.11 2.56 -0.52 -4.69 118.70 115.45 2bkx s GLU 68 Ca 0.08 0.29 -0.26 0.00 0.00 0.00 0.00 54.97 55.08 2bkx s GLU 68 Cb -0.03 0.37 -0.09 0.00 2.00 0.00 0.00 34.13 36.38 2bkx s GLU 68 CO -0.01 -0.20 1.12 0.71 -0.56 0.00 0.00 175.26 176.31 2bkx s TYR 69 N -0.73 3.29 0.12 5.30 1.51 -1.26 -0.65 117.35 124.94 2bkx s TYR 69 Ca -0.08 1.62 -0.30 0.00 -1.01 0.00 0.00 57.07 57.30 2bkx s TYR 69 Cb -0.03 -3.29 -0.07 0.00 -0.11 0.00 0.00 41.96 38.47 2bkx s TYR 69 CO 0.05 -0.88 1.12 0.00 -1.11 0.00 0.00 175.55 174.74 2bkx s ALA 70 N -1.39 3.36 0.00 3.71 0.00 -0.44 -3.60 121.76 123.39 2bkx s ALA 70 Ca 0.53 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.29 2bkx s ALA 70 Cb -0.29 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2bkx s ALA 70 CO 0.37 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.25 2bkx n GLY 71 N 2.50 0.68 3.69 0.00 0.00 0.65 -4.77 105.19 107.94 2bkx n GLY 71 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 2bkx n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bkx s LEU 72 N 0.00 3.84 0.71 0.99 1.43 -1.24 -4.88 118.68 119.53 2bkx s LEU 72 Ca 0.00 0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.15 2bkx s LEU 72 Cb 0.00 -1.94 0.02 0.00 0.03 0.00 0.00 46.19 44.30 2bkx s LEU 72 CO 0.00 0.27 1.10 -0.94 0.23 0.00 0.00 176.35 177.00 2bkx s SER 73 N -0.19 5.34 0.53 2.29 1.04 -1.26 -3.60 113.70 117.85 2bkx s SER 73 Ca 0.07 1.06 0.28 0.00 0.48 0.00 0.00 55.95 57.85 2bkx s SER 73 Cb -0.12 -1.83 1.51 0.00 0.10 0.00 0.00 66.02 65.68 2bkx s SER 73 CO 0.01 -1.39 2.09 0.77 0.98 0.00 0.00 173.24 175.70 2bkx h SER 74 N -0.68 0.00 0.31 7.02 4.64 -1.99 -1.47 113.55 121.39 2bkx h SER 74 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2bkx h SER 74 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2bkx h SER 74 CO 0.64 0.10 -0.32 -0.90 -0.87 0.00 0.00 176.83 175.48 2bkx n ASP 75 N -3.62 0.86 -4.71 4.97 5.75 -1.26 -3.38 116.55 115.16 2bkx n ASP 75 Ca -0.02 -0.70 -0.42 0.00 -0.01 0.00 0.00 54.79 53.64 2bkx n ASP 75 Cb 0.22 0.16 -0.03 0.00 -1.03 0.00 0.00 41.12 40.44 2bkx n ASP 75 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2bkx s ASP 76 N -2.64 6.73 0.31 -1.12 -1.08 -0.55 -4.89 116.67 113.42 2bkx s ASP 76 Ca 0.21 2.42 0.23 0.00 -0.52 0.00 0.00 52.55 54.88 2bkx s ASP 76 Cb 0.19 -2.59 1.13 0.00 -1.46 0.00 0.00 42.92 40.19 2bkx s ASP 76 CO 0.57 -0.73 1.69 -0.81 0.52 0.00 0.00 175.17 176.42 2bkx n PRO 77 N 4.12 0.16 -0.02 4.34 -0.04 -1.26 -1.31 135.00 140.99 2bkx n PRO 77 Ca 0.13 0.57 0.12 0.00 -0.04 0.00 0.00 63.50 64.28 2bkx n PRO 77 Cb 0.41 -1.94 0.19 0.00 -0.04 0.00 0.00 33.50 32.11 2bkx n PRO 77 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2bkx n ASN 78 N -2.27 2.77 -4.80 3.54 3.02 -1.26 -4.72 115.26 111.53 2bkx n ASN 78 Ca -0.00 -1.91 -0.34 0.00 -0.03 0.00 0.00 54.58 52.30 2bkx n ASN 78 Cb 0.10 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.23 2bkx n ASN 78 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2bkx s SER 79 N -1.94 6.17 0.42 6.41 1.04 -0.43 -4.93 113.70 120.44 2bkx s SER 79 Ca 0.31 1.88 0.23 0.00 0.48 0.00 0.00 55.95 58.85 2bkx s SER 79 Cb 0.20 -2.55 0.80 0.00 0.10 0.00 0.00 66.02 64.57 2bkx s SER 79 CO 0.31 -0.90 1.77 1.88 0.98 0.00 0.00 173.24 177.28 2bkx h TYR 80 N 1.18 0.00 -0.10 5.02 0.99 -1.88 -2.00 116.97 120.18 2bkx h TYR 80 Ca -0.49 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.28 2bkx h TYR 80 Cb 1.22 0.00 -0.04 0.00 1.00 0.00 0.00 36.73 38.91 2bkx h TYR 80 CO 0.58 0.26 -0.11 0.45 -0.00 0.00 0.00 178.16 179.33 2bkx h HIS 81 N 0.00 -0.28 -0.43 4.88 3.86 -1.90 -0.78 115.15 120.50 2bkx h HIS 81 Ca -0.00 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 2bkx h HIS 81 Cb 0.83 0.14 -0.02 0.00 1.06 0.00 0.00 27.41 29.42 2bkx h HIS 81 CO 0.00 -0.17 0.21 0.35 0.86 0.00 0.00 177.93 179.17 2bkx h PHE 82 N -0.14 0.62 -0.22 2.45 3.57 -1.50 -2.06 116.94 119.65 2bkx h PHE 82 Ca 0.08 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.60 2bkx h PHE 82 Cb 0.25 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 2bkx h PHE 82 CO -0.22 0.51 -0.12 -0.92 -2.23 0.00 0.00 178.31 175.32 2bkx h TYR 83 N 0.55 -0.30 -0.55 0.41 3.20 -1.24 -0.03 116.97 119.01 2bkx h TYR 83 Ca 0.15 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 2bkx h TYR 83 Cb 0.12 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 2bkx h TYR 83 CO -0.01 -0.19 0.02 0.52 -1.64 0.00 0.00 178.16 176.86 2bkx h MET 84 N -0.10 0.93 -0.26 1.82 2.86 -0.89 0.77 114.93 120.06 2bkx h MET 84 Ca 0.12 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 2bkx h MET 84 Cb 0.29 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2bkx h MET 84 CO -0.29 0.91 0.08 -0.91 1.06 0.00 0.00 176.91 177.77 2bkx h ASN 85 N 0.86 0.38 -0.26 1.22 2.35 -1.14 0.07 115.58 119.07 2bkx h ASN 85 Ca 0.16 -0.20 -0.07 0.00 -0.55 0.00 0.00 56.30 55.64 2bkx h ASN 85 Cb 0.49 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 2bkx h ASN 85 CO 0.02 0.48 -0.11 -0.78 -1.65 0.00 0.00 177.43 175.39 2bkx h ASP 86 N 0.26 0.55 1.46 5.81 3.58 -0.65 -1.24 116.42 126.19 2bkx h ASP 86 Ca 0.08 -0.40 -0.06 0.00 0.42 0.00 0.00 57.03 57.07 2bkx h ASP 86 Cb 0.23 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2bkx h ASP 86 CO -0.00 0.83 -0.55 0.03 -2.88 0.00 0.00 179.24 176.66 2bkx h ARG 87 N 0.27 0.00 0.00 0.28 2.47 -0.91 -3.44 114.38 113.04 2bkx h ARG 87 Ca 0.06 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 2bkx h ARG 87 Cb 0.62 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 2bkx h ARG 87 CO 0.04 0.22 0.00 0.34 0.56 0.00 0.00 179.97 181.13 2bkx n PHE 88 N -3.04 -1.49 -0.07 3.04 7.35 -0.63 -4.69 117.46 117.92 2bkx n PHE 88 Ca 0.01 0.26 -0.01 0.00 -0.76 0.00 0.00 57.45 56.95 2bkx n PHE 88 Cb 0.65 0.54 0.26 0.00 0.35 0.00 0.00 39.48 41.29 2bkx n PHE 88 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 2bkx h PHE 89 N 0.00 0.70 0.00 -5.13 0.04 -0.99 -1.57 116.94 110.00 2bkx h PHE 89 Ca 0.00 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2bkx h PHE 89 Cb 0.00 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 37.94 2bkx h PHE 89 CO 0.00 0.59 0.00 0.00 -0.60 0.00 0.00 178.31 178.30 2bkx n GLN 90 N -4.31 0.15 -0.00 1.51 10.64 -0.47 -2.91 117.38 121.98 2bkx n GLN 90 Ca 0.03 0.47 0.07 0.00 -1.83 0.00 0.00 57.00 55.74 2bkx n GLN 90 Cb 0.20 -1.84 0.06 0.00 -0.86 0.00 0.00 30.24 27.79 2bkx n GLN 90 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2bkx n HIS 91 N -2.13 0.01 -4.49 2.61 8.25 -0.59 -5.02 115.22 113.85 2bkx n HIS 91 Ca 0.01 -0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 2bkx n HIS 91 Cb 0.15 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.16 2bkx n HIS 91 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2bkx s ILE 92 N -1.14 1.50 -0.65 1.59 -4.36 -1.14 -4.99 121.20 112.01 2bkx s ILE 92 Ca 0.16 -2.03 -0.01 0.00 -0.26 0.00 0.00 60.65 58.51 2bkx s ILE 92 Cb 0.11 -2.78 0.45 0.00 1.25 0.00 0.00 42.46 41.49 2bkx s ILE 92 CO 0.17 -0.06 1.97 -0.90 0.24 0.00 0.00 174.94 176.37 2bkx n ASP 93 N -0.74 7.50 -4.62 4.36 5.75 -1.26 -4.98 116.55 122.55 2bkx n ASP 93 Ca -0.04 -3.79 -0.29 0.00 -0.01 0.00 0.00 54.79 50.66 2bkx n ASP 93 Cb 0.66 -0.94 0.14 0.00 -1.03 0.00 0.00 41.12 39.96 2bkx n ASP 93 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2bkx s SER 94 N -1.94 3.44 -0.41 -1.12 1.04 -1.26 -3.33 113.70 110.12 2bkx s SER 94 Ca 0.63 0.78 -0.22 0.00 0.48 0.00 0.00 55.95 57.63 2bkx s SER 94 Cb 0.50 -1.22 0.02 0.00 0.10 0.00 0.00 66.02 65.41 2bkx s SER 94 CO -0.02 -2.58 0.71 -0.54 0.98 0.00 0.00 173.24 171.79 2bkx s LYS 95 N -5.45 3.50 0.46 4.02 1.02 -1.26 -4.93 119.74 117.09 2bkx s LYS 95 Ca 0.66 -0.06 0.20 0.00 0.02 0.00 0.00 55.97 56.79 2bkx s LYS 95 Cb -0.12 -3.89 1.19 0.00 -0.52 0.00 0.00 37.83 34.49 2bkx s LYS 95 CO 0.53 -0.96 1.91 -1.35 -0.92 0.00 0.00 175.35 174.56 2bkx h PRO 96 N 8.75 0.27 0.00 -1.68 0.11 -1.97 -0.44 132.00 137.04 2bkx h PRO 96 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2bkx h PRO 96 Cb 1.10 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2bkx h PRO 96 CO 0.91 0.18 0.00 -1.13 -0.21 0.00 0.00 178.00 177.74 2bkx n SER 97 N -4.44 0.00 -1.71 -2.05 3.41 -1.26 -2.62 113.62 104.95 2bkx n SER 97 Ca 0.16 0.13 0.09 0.00 -0.26 0.00 0.00 58.87 58.98 2bkx n SER 97 Cb 0.66 -0.33 0.38 0.00 -0.26 0.00 0.00 64.21 64.67 2bkx n SER 97 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2bkx n ARG 98 N -1.33 4.12 -3.79 4.33 5.12 -0.17 -4.82 116.66 120.13 2bkx n ARG 98 Ca 0.07 -3.00 -0.36 0.00 -1.93 0.00 0.00 57.85 52.63 2bkx n ARG 98 Cb 0.15 -2.02 -0.13 0.00 -1.16 0.00 0.00 32.46 29.30 2bkx n ARG 98 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 2bkx s HIS 99 N -2.12 3.06 -0.06 -1.55 3.76 -1.08 -1.19 115.29 116.11 2bkx s HIS 99 Ca 0.53 -0.55 0.05 0.00 -0.15 0.00 0.00 55.06 54.93 2bkx s HIS 99 Cb 0.36 -2.21 -0.02 0.00 1.11 0.00 0.00 32.58 31.82 2bkx s HIS 99 CO 0.23 -0.41 -0.20 -0.06 -0.85 0.00 0.00 174.74 173.45 2bkx s PHE 100 N 1.58 2.56 -0.07 1.40 0.40 0.16 -4.97 117.98 119.04 2bkx s PHE 100 Ca 0.06 -0.54 -0.08 0.00 -0.60 0.00 0.00 56.93 55.78 2bkx s PHE 100 Cb -0.15 -1.64 0.02 0.00 0.51 0.00 0.00 43.02 41.76 2bkx s PHE 100 CO 0.02 -0.09 0.21 0.42 0.70 0.00 0.00 175.22 176.48 2bkx s ILE 101 N -0.27 0.01 0.44 0.64 1.01 -1.26 -1.34 121.20 120.43 2bkx s ILE 101 Ca 0.00 -0.07 -0.26 0.00 0.00 0.00 0.00 60.65 60.32 2bkx s ILE 101 Cb -0.13 -0.33 -0.09 0.00 0.01 0.00 0.00 42.46 41.92 2bkx s ILE 101 CO 0.03 -0.04 1.43 -2.84 0.00 0.00 0.00 174.94 173.51 2bkx s PRO 102 N -0.06 3.77 -0.72 2.79 0.02 -1.26 -4.91 135.00 134.63 2bkx s PRO 102 Ca -0.02 2.42 -0.22 0.00 0.02 0.00 0.00 61.00 63.20 2bkx s PRO 102 Cb -0.02 -2.71 0.07 0.00 0.02 0.00 0.00 34.50 31.86 2bkx s PRO 102 CO 0.01 -0.75 1.04 1.21 -0.33 0.00 0.00 177.00 178.18 2bkx s ASN 103 N -0.47 6.25 0.00 2.53 2.47 -1.26 -4.71 114.94 119.74 2bkx s ASN 103 Ca 0.59 -1.11 0.14 0.00 0.42 0.00 0.00 52.86 52.90 2bkx s ASN 103 Cb -0.44 -2.44 0.59 0.00 -1.45 0.00 0.00 41.25 37.52 2bkx s ASN 103 CO 0.57 -1.43 1.43 0.61 -3.72 0.00 0.00 177.10 174.56 2bkx n GLY 104 N 5.43 -0.96 1.14 1.21 0.00 -1.26 -2.30 105.19 108.45 2bkx n GLY 104 Ca 0.02 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.10 2bkx n GLY 104 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bkx n ASN 105 N -1.49 3.62 -4.75 1.61 4.05 -1.24 -0.25 115.26 116.82 2bkx n ASN 105 Ca 0.03 -1.99 -0.35 0.00 0.45 0.00 0.00 54.58 52.72 2bkx n ASN 105 Cb 0.16 -0.40 0.05 0.00 1.23 0.00 0.00 39.78 40.82 2bkx n ASN 105 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2bkx s ALA 106 N -1.03 2.43 0.29 5.20 0.00 -0.97 -4.93 121.76 122.75 2bkx s ALA 106 Ca 0.41 0.95 0.02 0.00 0.00 0.00 0.00 51.96 53.34 2bkx s ALA 106 Cb 0.21 -3.45 0.44 0.00 0.00 0.00 0.00 23.12 20.33 2bkx s ALA 106 CO 0.28 -1.36 1.76 -0.44 0.00 0.00 0.00 175.76 176.00 2bkx h ASP 107 N 0.52 0.52 -3.54 0.00 3.32 -1.94 -3.38 116.42 111.92 2bkx h ASP 107 Ca -0.50 -0.15 -0.64 0.00 0.02 0.00 0.00 57.03 55.77 2bkx h ASP 107 Cb 1.30 -0.14 -0.40 0.00 0.22 0.00 0.00 39.33 40.31 2bkx h ASP 107 CO 0.54 0.71 -0.73 -0.62 -1.72 0.00 0.00 179.24 177.41 2bkx s ASP 108 N -6.78 4.53 0.23 6.45 3.68 -1.26 -4.98 116.67 118.54 2bkx s ASP 108 Ca -0.07 -1.96 0.04 0.00 2.13 0.00 0.00 52.55 52.69 2bkx s ASP 108 Cb 0.14 -1.40 0.24 0.00 -1.45 0.00 0.00 42.92 40.45 2bkx s ASP 108 CO 0.79 -0.38 1.55 -0.07 0.13 0.00 0.00 175.17 177.19 2bkx h LEU 109 N 7.76 0.27 -0.32 -1.34 3.38 -1.94 -1.58 115.31 121.53 2bkx h LEU 109 Ca -0.07 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.75 2bkx h LEU 109 Cb 1.02 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 2bkx h LEU 109 CO 0.50 0.82 0.20 -0.33 0.09 0.00 0.00 178.44 179.72 2bkx h GLU 110 N 0.17 0.40 -0.65 1.13 5.08 -1.96 -1.21 114.58 117.54 2bkx h GLU 110 Ca -0.01 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2bkx h GLU 110 Cb 1.13 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 2bkx h GLU 110 CO 0.10 0.27 0.16 0.00 -1.00 0.00 0.00 179.01 178.53 2bkx h ALA 111 N 1.13 1.05 -0.76 3.43 0.00 -1.95 -1.88 119.26 120.28 2bkx h ALA 111 Ca 0.12 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2bkx h ALA 111 Cb -0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 2bkx h ALA 111 CO -0.04 0.63 0.47 1.49 0.00 0.00 0.00 179.25 181.80 2bkx h GLU 112 N 0.98 0.87 -0.67 0.00 4.57 -1.00 -0.86 114.58 118.47 2bkx h GLU 112 Ca 0.21 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.27 2bkx h GLU 112 Cb 0.35 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 2bkx h GLU 112 CO 0.00 0.58 0.15 0.00 -1.18 0.00 0.00 179.01 178.56 2bkx h ARG 114 N 1.00 0.61 -0.34 0.00 3.08 -0.96 -1.37 114.38 116.40 2bkx h ARG 114 Ca 0.21 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 2bkx h ARG 114 Cb 0.38 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2bkx h ARG 114 CO 0.00 0.56 -0.05 0.00 -1.07 0.00 0.00 179.97 179.41 2bkx h ARG 115 N 0.52 0.56 -0.29 0.04 3.08 -0.94 -1.66 114.38 115.69 2bkx h ARG 115 Ca 0.14 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2bkx h ARG 115 Cb 0.17 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 2bkx h ARG 115 CO -0.01 0.62 -0.13 -0.92 -1.07 0.00 0.00 179.97 178.46 2bkx h TYR 116 N 0.53 0.69 -0.67 3.04 3.20 -0.76 -0.20 116.97 122.80 2bkx h TYR 116 Ca 0.11 -0.17 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 2bkx h TYR 116 Cb 0.42 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 2bkx h TYR 116 CO 0.02 0.83 0.39 1.49 -1.64 0.00 0.00 178.16 179.24 2bkx h GLU 117 N 0.35 0.92 -0.74 1.82 4.57 -1.06 -0.76 114.58 119.67 2bkx h GLU 117 Ca 0.07 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2bkx h GLU 117 Cb 0.64 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 29.00 2bkx h GLU 117 CO 0.04 0.67 0.45 1.96 -1.18 0.00 0.00 179.01 180.94 2bkx h GLN 118 N 0.91 1.01 -0.12 1.92 4.20 -1.04 -1.65 115.11 120.33 2bkx h GLN 118 Ca 0.24 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 2bkx h GLN 118 Cb -0.00 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.56 2bkx h GLN 118 CO -0.04 0.71 0.02 1.25 -0.67 0.00 0.00 178.83 180.09 2bkx h LEU 119 N 1.02 0.18 -0.79 1.46 5.85 -0.43 -1.09 115.31 121.51 2bkx h LEU 119 Ca 0.27 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.80 2bkx h LEU 119 Cb -0.04 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 2bkx h LEU 119 CO -0.05 0.39 0.47 0.58 -0.34 0.00 0.00 178.44 179.49 2bkx h VAL 120 N -0.03 0.98 -0.67 1.05 2.07 -0.87 -1.54 116.25 117.24 2bkx h VAL 120 Ca 0.04 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2bkx h VAL 120 Cb 0.29 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 2bkx h VAL 120 CO 0.00 0.15 0.36 -0.78 0.02 0.00 0.00 177.57 177.33 2bkx h ASP 121 N 0.83 0.84 0.48 0.57 3.58 -1.09 -2.32 116.42 119.31 2bkx h ASP 121 Ca 0.36 -0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.68 2bkx h ASP 121 Cb 0.23 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.06 2bkx h ASP 121 CO -0.20 0.70 -0.16 0.77 -2.88 0.00 0.00 179.24 177.48 2bkx h SER 122 N 0.92 0.00 0.78 2.28 4.64 -0.34 -1.56 113.55 120.27 2bkx h SER 122 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2bkx h SER 122 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2bkx h SER 122 CO -0.04 0.16 0.00 0.18 -0.87 0.00 0.00 176.83 176.26 2bkx n LEU 123 N -3.61 0.00 0.00 5.97 4.77 -0.66 -4.88 117.00 118.59 2bkx n LEU 123 Ca -0.01 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2bkx n LEU 123 Cb 0.29 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2bkx n LEU 123 CO 0.31 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 2bkx n GLY 124 N 0.83 0.76 0.76 -0.72 0.00 -0.58 -4.93 105.19 101.31 2bkx n GLY 124 Ca 0.05 -0.46 0.10 0.00 0.00 0.00 0.00 46.02 45.72 2bkx n GLY 124 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bkx n ASP 125 N 0.84 -4.49 -4.84 1.61 8.00 -0.91 -4.86 116.55 111.90 2bkx n ASP 125 Ca 0.00 0.33 -0.34 0.00 0.71 0.00 0.00 54.79 55.49 2bkx n ASP 125 Cb 0.01 -2.30 -0.06 0.00 -0.02 0.00 0.00 41.12 38.75 2bkx n ASP 125 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2bkx s THR 126 N -1.77 4.70 0.09 -3.53 -4.23 -1.26 -4.78 115.64 104.85 2bkx s THR 126 Ca 0.00 0.97 -0.03 0.00 -1.18 0.00 0.00 61.69 61.45 2bkx s THR 126 Cb 0.00 -3.70 -0.26 0.00 1.34 0.00 0.00 72.50 69.88 2bkx s THR 126 CO 0.00 -0.01 1.18 0.44 -0.54 0.00 0.00 174.62 175.69 2bkx h ASP 127 N 2.76 0.40 -4.67 3.99 3.32 -1.01 -1.03 116.42 120.18 2bkx h ASP 127 Ca -0.48 -0.40 -0.15 0.00 0.02 0.00 0.00 57.03 56.02 2bkx h ASP 127 Cb 1.18 -0.13 -0.22 0.00 0.22 0.00 0.00 39.33 40.38 2bkx h ASP 127 CO 0.66 1.29 -0.48 -0.51 -1.72 0.00 0.00 179.24 178.49 2bkx s ILE 128 N -2.76 0.06 -0.19 0.35 2.07 -1.21 -3.33 121.20 116.19 2bkx s ILE 128 Ca -0.04 -0.49 0.00 0.00 -1.41 0.00 0.00 60.65 58.71 2bkx s ILE 128 Cb 0.08 -0.40 0.05 0.00 0.13 0.00 0.00 42.46 42.31 2bkx s ILE 128 CO 0.87 -0.27 -0.07 -1.58 -1.91 0.00 0.00 174.94 171.99 2bkx s GLN 129 N -0.99 1.64 0.20 3.50 2.00 0.53 0.01 119.66 126.55 2bkx s GLN 129 Ca -0.11 -0.72 -0.30 0.00 -2.00 0.00 0.00 55.36 52.24 2bkx s GLN 129 Cb -0.06 -2.27 -0.08 0.00 0.80 0.00 0.00 33.01 31.41 2bkx s GLN 129 CO 0.01 -0.47 1.03 -0.51 -0.50 0.00 0.00 175.29 174.85 2bkx s LEU 130 N 1.51 4.54 0.06 3.68 1.02 -0.05 -1.09 118.68 128.37 2bkx s LEU 130 Ca -0.01 2.02 0.03 0.00 0.02 0.00 0.00 54.13 56.18 2bkx s LEU 130 Cb -0.16 -3.61 -0.03 0.00 0.02 0.00 0.00 46.19 42.41 2bkx s LEU 130 CO -0.08 -0.08 -0.09 -0.76 0.02 0.00 0.00 176.35 175.37 2bkx s LEU 131 N -0.67 2.31 0.00 1.79 1.43 -0.13 -4.21 118.68 119.21 2bkx s LEU 131 Ca 0.46 -0.66 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 2bkx s LEU 131 Cb -0.28 -0.23 0.02 0.00 0.03 0.00 0.00 46.19 45.73 2bkx s LEU 131 CO 0.34 -0.23 0.13 0.61 0.23 0.00 0.00 176.35 177.43 2bkx n GLY 132 N 1.10 2.99 2.96 -3.19 0.00 -1.26 -1.27 105.19 106.51 2bkx n GLY 132 Ca -0.20 -2.21 -0.18 0.00 0.00 0.00 0.00 46.02 43.42 2bkx n GLY 132 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2bkx s ILE 133 N -0.91 0.57 0.86 -0.61 2.07 -1.26 -4.64 121.20 117.28 2bkx s ILE 133 Ca 0.10 -0.24 -0.12 0.00 -1.41 0.00 0.00 60.65 58.98 2bkx s ILE 133 Cb -0.01 -0.53 0.10 0.00 0.13 0.00 0.00 42.46 42.16 2bkx s ILE 133 CO 0.06 0.19 1.10 -0.83 -1.91 0.00 0.00 174.94 173.55 2bkx s GLY 134 N 0.27 1.61 0.53 1.50 0.00 -0.30 -4.89 107.32 106.03 2bkx s GLY 134 Ca -0.03 -0.20 0.19 0.00 0.00 0.00 0.00 44.72 44.67 2bkx s GLY 134 CO 0.00 0.28 2.16 3.21 0.00 0.00 0.00 173.10 178.75 2bkx h ARG 135 N -1.34 0.00 -0.65 2.90 3.08 -1.91 -0.40 114.38 116.06 2bkx h ARG 135 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2bkx h ARG 135 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 2bkx h ARG 135 CO 0.58 0.00 0.00 0.27 -1.07 0.00 0.00 179.97 179.75 2bkx n ASN 136 N -4.42 3.85 0.00 7.04 0.23 -1.26 -4.36 115.26 116.34 2bkx n ASN 136 Ca -0.02 -2.18 0.00 0.00 -0.53 0.00 0.00 54.58 51.84 2bkx n ASN 136 Cb 0.11 -0.49 0.00 0.00 -2.08 0.00 0.00 39.78 37.33 2bkx n ASN 136 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bkx n GLY 137 N 1.31 0.74 3.73 4.83 0.00 -0.16 -4.61 105.19 111.04 2bkx n GLY 137 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 2bkx n GLY 137 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2bkx s HIS 138 N -2.68 2.15 -0.01 1.61 -3.43 -1.26 -1.04 115.29 110.63 2bkx s HIS 138 Ca 0.00 1.55 0.05 0.00 -0.80 0.00 0.00 55.06 55.85 2bkx s HIS 138 Cb 0.00 -3.53 -0.01 0.00 -1.43 0.00 0.00 32.58 27.61 2bkx s HIS 138 CO 0.00 -2.59 -0.15 0.96 -2.00 0.00 0.00 174.74 170.96 2bkx s ILE 139 N -1.74 1.19 0.00 -5.38 -4.36 -1.22 -1.15 121.20 108.54 2bkx s ILE 139 Ca 0.77 -0.67 0.00 0.00 -0.26 0.00 0.00 60.65 60.49 2bkx s ILE 139 Cb -0.32 -1.00 0.00 0.00 1.25 0.00 0.00 42.46 42.40 2bkx s ILE 139 CO 0.41 0.32 0.00 0.61 0.24 0.00 0.00 174.94 176.52 2bkx n GLY 140 N 2.66 2.51 1.66 6.27 0.00 -1.26 -1.21 105.19 115.81 2bkx n GLY 140 Ca -0.15 -0.23 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 2bkx n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2bkx n PHE 141 N 14.00 2.02 -2.52 1.61 0.99 -1.26 -4.91 117.46 127.39 2bkx n PHE 141 Ca 0.00 -2.01 -0.41 0.00 -0.00 0.00 0.00 57.45 55.03 2bkx n PHE 141 Cb 0.00 -0.69 -0.03 0.00 -1.00 0.00 0.00 39.48 37.76 2bkx n PHE 141 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 2bkx s ASN 142 N -2.49 6.15 0.71 4.37 0.01 -0.35 -4.93 114.94 118.41 2bkx s ASN 142 Ca 0.51 -0.57 -0.11 0.00 -0.71 0.00 0.00 52.86 51.98 2bkx s ASN 142 Cb 0.43 -2.56 0.03 0.00 0.41 0.00 0.00 41.25 39.56 2bkx s ASN 142 CO 0.02 -1.83 1.09 -1.61 -1.51 0.00 0.00 177.10 173.26 2bkx s GLU 143 N 5.71 2.68 0.19 -0.60 0.41 -1.26 -3.42 118.70 122.41 2bkx s GLU 143 Ca 0.39 0.32 -0.32 0.00 -0.41 0.00 0.00 54.97 54.95 2bkx s GLU 143 Cb -0.07 -2.04 -0.15 0.00 -1.78 0.00 0.00 34.13 30.09 2bkx s GLU 143 CO 0.11 -1.11 1.13 -2.30 -0.49 0.00 0.00 175.26 172.60 2bkx n PRO 144 N -3.01 1.19 -0.05 0.39 -0.02 -1.26 -1.91 135.00 130.33 2bkx n PRO 144 Ca 0.07 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2bkx n PRO 144 Cb 0.58 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 2bkx n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bkx n GLY 145 N 1.89 0.42 3.73 -1.23 0.00 0.21 -4.96 105.19 105.25 2bkx n GLY 145 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2bkx n GLY 145 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bkx s THR 146 N -2.13 4.19 0.35 2.61 2.01 -0.80 -4.99 115.64 116.88 2bkx s THR 146 Ca 0.00 1.82 -0.28 0.00 0.31 0.00 0.00 61.69 63.54 2bkx s THR 146 Cb 0.00 -4.16 -0.12 0.00 0.01 0.00 0.00 72.50 68.23 2bkx s THR 146 CO 0.00 0.28 1.41 -0.24 -0.69 0.00 0.00 174.62 175.38 2bkx n SER 147 N 2.69 3.34 0.16 3.53 2.88 -1.26 -4.79 113.62 120.17 2bkx n SER 147 Ca 0.03 1.21 0.12 0.00 -1.33 0.00 0.00 58.87 58.91 2bkx n SER 147 Cb 0.48 -1.56 0.58 0.00 -0.75 0.00 0.00 64.21 62.95 2bkx n SER 147 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 2bkx h PHE 148 N 2.93 0.00 -0.07 0.66 -1.00 -1.97 -1.71 116.94 115.78 2bkx h PHE 148 Ca -0.48 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.30 2bkx h PHE 148 Cb 1.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.82 2bkx h PHE 148 CO 0.52 0.00 0.00 1.63 -1.61 0.00 0.00 178.31 178.85 2bkx n LYS 149 N -2.33 1.66 -1.78 1.51 5.02 -1.26 -2.89 118.16 118.08 2bkx n LYS 149 Ca 0.00 -0.97 -0.38 0.00 -2.02 0.00 0.00 58.31 54.94 2bkx n LYS 149 Cb 0.14 -1.45 0.05 0.00 -0.02 0.00 0.00 35.03 33.75 2bkx n LYS 149 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2bkx s SER 150 N -1.84 5.11 0.31 4.39 1.04 -0.64 -4.57 113.70 117.50 2bkx s SER 150 Ca 0.36 2.72 0.01 0.00 0.48 0.00 0.00 55.95 59.52 2bkx s SER 150 Cb 0.20 -2.63 0.01 0.00 0.10 0.00 0.00 66.02 63.70 2bkx s SER 150 CO 0.31 -1.68 0.10 0.54 0.98 0.00 0.00 173.24 173.50 2bkx n ARG 151 N -1.26 1.17 -1.73 4.02 5.12 -1.26 -0.69 116.66 122.02 2bkx n ARG 151 Ca 0.12 -2.09 -0.42 0.00 -1.93 0.00 0.00 57.85 53.53 2bkx n ARG 151 Cb 0.46 0.42 -0.02 0.00 -1.16 0.00 0.00 32.46 32.16 2bkx n ARG 151 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2bkx n THR 152 N -0.97 0.85 -3.59 0.55 -1.04 -1.26 -3.03 114.28 105.79 2bkx n THR 152 Ca -0.07 -0.21 -0.10 0.00 -2.04 0.00 0.00 64.05 61.62 2bkx n THR 152 Cb 0.37 -1.92 -0.02 0.00 -1.82 0.00 0.00 70.33 66.94 2bkx n THR 152 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 2bkx s HIS 153 N 0.17 -0.38 -0.04 -1.42 -3.43 -0.17 -4.63 115.29 105.39 2bkx s HIS 153 Ca 0.66 0.08 -0.27 0.00 -0.80 0.00 0.00 55.06 54.74 2bkx s HIS 153 Cb -0.51 0.58 -0.03 0.00 -1.43 0.00 0.00 32.58 31.19 2bkx s HIS 153 CO 0.46 -0.97 0.83 0.08 -2.00 0.00 0.00 174.74 173.14 2bkx s VAL 154 N -3.82 4.96 0.09 -5.38 1.01 -1.26 -1.32 120.40 114.68 2bkx s VAL 154 Ca 0.05 1.74 0.07 0.00 0.00 0.00 0.00 61.98 63.84 2bkx s VAL 154 Cb -0.02 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 2bkx s VAL 154 CO -0.06 0.20 -0.18 0.68 0.00 0.00 0.00 175.10 175.74 2bkx s VAL 155 N 0.94 1.49 -0.27 2.92 -7.23 -0.01 -4.99 120.40 113.25 2bkx s VAL 155 Ca 0.44 -1.44 -0.15 0.00 -1.81 0.00 0.00 61.98 59.02 2bkx s VAL 155 Cb -0.19 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 2bkx s VAL 155 CO 0.23 -0.11 0.38 -0.89 -0.31 0.00 0.00 175.10 174.40 2bkx s THR 156 N -1.18 5.17 0.32 5.32 2.01 -1.26 -1.24 115.64 124.77 2bkx s THR 156 Ca 0.03 0.56 -0.29 0.00 0.31 0.00 0.00 61.69 62.31 2bkx s THR 156 Cb -0.10 -3.71 -0.10 0.00 0.01 0.00 0.00 72.50 68.60 2bkx s THR 156 CO 0.03 0.14 1.35 -0.76 -0.69 0.00 0.00 174.62 174.69 2bkx s LEU 157 N 2.08 4.41 0.67 4.42 1.43 -0.24 -4.99 118.68 126.46 2bkx s LEU 157 Ca 0.15 2.72 -0.16 0.00 -1.03 0.00 0.00 54.13 55.82 2bkx s LEU 157 Cb -0.16 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.42 2bkx s LEU 157 CO 0.10 -0.60 1.14 0.20 0.23 0.00 0.00 176.35 177.42 2bkx s ASN 158 N -0.29 4.91 0.38 2.29 -0.87 -1.26 -4.88 114.94 115.23 2bkx s ASN 158 Ca 0.51 2.13 0.06 0.00 -1.57 0.00 0.00 52.86 54.00 2bkx s ASN 158 Cb -0.41 -2.57 0.78 0.00 -0.02 0.00 0.00 41.25 39.03 2bkx s ASN 158 CO 0.52 -1.77 1.99 -0.33 -2.57 0.00 0.00 177.10 174.95 2bkx h GLU 159 N 0.08 0.68 -0.50 -0.60 4.39 -1.99 -1.45 114.58 115.19 2bkx h GLU 159 Ca -0.47 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.18 2bkx h GLU 159 Cb 1.26 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 2bkx h GLU 159 CO 0.53 0.45 0.28 0.37 -1.16 0.00 0.00 179.01 179.48 2bkx h GLN 160 N 0.70 0.67 -0.31 2.33 4.15 -1.99 0.82 115.11 121.48 2bkx h GLN 160 Ca 0.26 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.51 2bkx h GLN 160 Cb 0.14 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 2bkx h GLN 160 CO -0.07 0.49 -0.21 1.15 -1.93 0.00 0.00 178.83 178.25 2bkx h THR 161 N 0.68 1.29 -0.62 2.39 2.02 -1.65 -0.91 112.91 116.12 2bkx h THR 161 Ca 0.18 -1.35 -0.05 0.00 0.77 0.00 0.00 66.41 65.96 2bkx h THR 161 Cb 0.00 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 2bkx h THR 161 CO -0.03 0.43 0.19 0.03 0.37 0.00 0.00 175.52 176.51 2bkx h ARG 162 N 0.45 0.97 -0.41 6.66 3.08 -0.93 -1.31 114.38 122.89 2bkx h ARG 162 Ca 0.06 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 59.91 2bkx h ARG 162 Cb 0.76 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 2bkx h ARG 162 CO 0.06 0.86 0.27 0.37 -1.07 0.00 0.00 179.97 180.46 2bkx h GLN 163 N 0.90 0.53 -0.64 0.04 4.15 -0.78 -1.24 115.11 118.07 2bkx h GLN 163 Ca 0.20 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.52 2bkx h GLN 163 Cb 0.30 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 2bkx h GLN 163 CO -0.01 0.35 0.13 0.00 -1.93 0.00 0.00 178.83 177.37 2bkx h ALA 164 N 1.16 1.01 -0.01 3.38 0.00 -0.85 -3.07 119.26 120.88 2bkx h ALA 164 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2bkx h ALA 164 Cb -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2bkx h ALA 164 CO -0.04 0.63 -0.31 0.09 0.00 0.00 0.00 179.25 179.63 2bkx n ASN 165 N -4.23 0.95 0.05 0.00 4.13 -0.52 -4.11 115.26 111.53 2bkx n ASN 165 Ca 0.04 -0.79 0.16 0.00 1.68 0.00 0.00 54.58 55.67 2bkx n ASN 165 Cb 0.27 0.17 0.64 0.00 -1.54 0.00 0.00 39.78 39.32 2bkx n ASN 165 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2bkx h ALA 166 N 3.57 2.29 -0.22 5.41 0.00 -1.12 -1.66 119.26 127.53 2bkx h ALA 166 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.96 2bkx h ALA 166 Cb 0.51 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2bkx h ALA 166 CO 0.00 -0.40 0.36 0.07 0.00 0.00 0.00 179.25 179.28 2bkx h ARG 167 N 0.07 0.00 -0.01 0.00 0.11 -1.79 -1.11 114.38 111.66 2bkx h ARG 167 Ca 0.19 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.27 2bkx h ARG 167 Cb 0.68 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.76 2bkx h ARG 167 CO -0.02 0.00 -0.41 0.66 0.10 0.00 0.00 179.97 180.30 2bkx n TYR 168 N -3.41 0.00 -4.17 4.08 4.02 -0.62 -4.96 117.16 112.10 2bkx n TYR 168 Ca 0.03 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.68 2bkx n TYR 168 Cb 0.48 -0.12 -0.06 0.00 -0.02 0.00 0.00 39.34 39.62 2bkx n TYR 168 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2bkx s PHE 169 N -2.65 2.98 0.48 -0.72 0.40 -0.42 -4.96 117.98 113.08 2bkx s PHE 169 Ca 0.19 -0.12 0.16 0.00 -0.60 0.00 0.00 56.93 56.56 2bkx s PHE 169 Cb 0.18 -1.37 1.14 0.00 0.51 0.00 0.00 43.02 43.48 2bkx s PHE 169 CO 0.60 0.54 2.06 -1.35 0.70 0.00 0.00 175.22 177.77 2bkx h PRO 170 N 2.00 0.00 -3.11 0.24 0.11 -1.93 -3.46 132.00 125.85 2bkx h PRO 170 Ca -0.47 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 2bkx h PRO 170 Cb 1.23 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.22 2bkx h PRO 170 CO 0.61 0.11 0.14 -1.54 -0.21 0.00 0.00 178.00 177.10 2bkx s SER 171 N -6.97 -0.44 0.40 -2.05 1.04 -1.26 -5.03 113.70 99.39 2bkx s SER 171 Ca -0.04 -0.17 0.08 0.00 0.48 0.00 0.00 55.95 56.29 2bkx s SER 171 Cb 0.16 0.59 0.83 0.00 0.10 0.00 0.00 66.02 67.69 2bkx s SER 171 CO 0.68 -0.99 1.99 -0.29 0.98 0.00 0.00 173.24 175.60 2bkx h ILE 172 N 2.09 1.13 0.00 -1.02 6.09 -1.89 -2.64 117.51 121.27 2bkx h ILE 172 Ca -0.32 -0.47 0.00 0.00 -1.37 0.00 0.00 64.86 62.71 2bkx h ILE 172 Cb 1.29 0.85 0.00 0.00 0.47 0.00 0.00 36.82 39.43 2bkx h ILE 172 CO 0.38 0.17 0.00 -2.24 -3.07 0.00 0.00 178.15 173.39 2bkx h ASP 173 N 0.39 0.00 0.49 2.19 3.04 -2.00 -2.46 116.42 118.07 2bkx h ASP 173 Ca 0.09 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.88 2bkx h ASP 173 Cb 0.15 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.44 2bkx h ASP 173 CO -0.00 0.00 -0.59 -1.54 -2.04 0.00 0.00 179.24 175.07 2bkx n SER 174 N -2.48 0.56 -4.68 4.15 3.41 -1.00 -4.88 113.62 108.71 2bkx n SER 174 Ca 0.01 -0.27 -0.42 0.00 -0.26 0.00 0.00 58.87 57.93 2bkx n SER 174 Cb 0.24 0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.50 2bkx n SER 174 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2bkx s VAL 175 N -3.03 3.48 0.73 -3.33 1.01 -0.93 -4.97 120.40 113.36 2bkx s VAL 175 Ca 0.10 0.82 -0.15 0.00 0.00 0.00 0.00 61.98 62.74 2bkx s VAL 175 Cb 0.17 -3.53 0.04 0.00 0.00 0.00 0.00 36.38 33.06 2bkx s VAL 175 CO 0.72 -0.02 1.24 -2.84 0.00 0.00 0.00 175.10 174.20 2bkx s PRO 176 N 2.88 2.10 0.10 2.72 0.02 -1.26 -4.95 135.00 136.61 2bkx s PRO 176 Ca 0.69 1.87 0.20 0.00 0.02 0.00 0.00 61.00 63.78 2bkx s PRO 176 Cb -0.34 -1.82 -0.11 0.00 0.02 0.00 0.00 34.50 32.26 2bkx s PRO 176 CO 0.29 -1.89 0.84 1.63 -0.33 0.00 0.00 177.00 177.54 2bkx n LYS 177 N -2.64 0.62 -4.33 5.54 5.02 -1.26 -4.91 118.16 116.21 2bkx n LYS 177 Ca 0.14 0.11 -0.17 0.00 -2.02 0.00 0.00 58.31 56.37 2bkx n LYS 177 Cb 0.50 -1.76 -0.10 0.00 -0.02 0.00 0.00 35.03 33.64 2bkx n LYS 177 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2bkx s LYS 178 N -3.20 1.33 0.20 1.97 1.02 -1.26 -1.07 119.74 118.73 2bkx s LYS 178 Ca -0.03 -1.67 -0.15 0.00 0.02 0.00 0.00 55.97 54.14 2bkx s LYS 178 Cb 0.10 -0.59 0.01 0.00 -0.52 0.00 0.00 37.83 36.83 2bkx s LYS 178 CO 0.82 -0.10 0.47 0.00 -0.92 0.00 0.00 175.35 175.61 2bkx s ALA 179 N -3.44 -0.60 -0.15 5.17 0.00 -0.38 -1.33 121.76 121.03 2bkx s ALA 179 Ca 0.28 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.70 2bkx s ALA 179 Cb 0.06 0.90 -0.03 0.00 0.00 0.00 0.00 23.12 24.05 2bkx s ALA 179 CO 0.09 -0.79 -0.04 -0.51 0.00 0.00 0.00 175.76 174.51 2bkx s LEU 180 N -2.93 3.26 -0.01 0.00 1.02 0.18 -0.83 118.68 119.37 2bkx s LEU 180 Ca 0.14 -0.12 -0.02 0.00 0.02 0.00 0.00 54.13 54.15 2bkx s LEU 180 Cb -0.00 -1.78 0.00 0.00 0.02 0.00 0.00 46.19 44.43 2bkx s LEU 180 CO 0.01 0.17 0.04 0.28 0.02 0.00 0.00 176.35 176.87 2bkx s THR 181 N 0.34 0.01 0.35 5.49 -1.32 -0.43 -1.44 115.64 118.63 2bkx s THR 181 Ca -0.04 -0.12 -0.26 0.00 -1.21 0.00 0.00 61.69 60.05 2bkx s THR 181 Cb -0.14 -0.11 -0.13 0.00 -1.51 0.00 0.00 72.50 70.62 2bkx s THR 181 CO 0.03 -0.07 1.02 0.23 -2.21 0.00 0.00 174.62 173.62 2bkx n MET 182 N 2.84 1.40 -2.16 7.08 2.81 0.43 -1.00 117.12 128.52 2bkx n MET 182 Ca -0.14 0.49 -0.27 0.00 -1.81 0.00 0.00 57.70 55.97 2bkx n MET 182 Cb 0.59 -1.95 0.14 0.00 -0.71 0.00 0.00 33.22 31.30 2bkx n MET 182 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2bkx s GLY 183 N -0.61 1.75 0.19 3.03 0.00 -1.17 -4.69 107.32 105.82 2bkx s GLY 183 Ca 0.60 -1.29 -0.10 0.00 0.00 0.00 0.00 44.72 43.93 2bkx s GLY 183 CO 0.59 -0.65 1.74 -2.22 0.00 0.00 0.00 173.10 172.56 2bkx h ILE 184 N -1.14 1.25 -0.31 0.90 2.04 -1.74 -1.07 117.51 117.43 2bkx h ILE 184 Ca -0.42 -0.81 -0.10 0.00 1.00 0.00 0.00 64.86 64.53 2bkx h ILE 184 Cb 1.26 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 2bkx h ILE 184 CO 0.43 0.32 -0.21 -0.61 0.00 0.00 0.00 178.15 178.08 2bkx h GLN 185 N 0.98 0.58 -0.66 2.37 5.75 -0.77 0.06 115.11 123.42 2bkx h GLN 185 Ca 0.22 -0.21 0.05 0.00 -0.15 0.00 0.00 58.65 58.56 2bkx h GLN 185 Cb 0.25 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.71 2bkx h GLN 185 CO -0.01 0.75 0.38 1.15 -2.65 0.00 0.00 178.83 178.45 2bkx h THR 186 N 0.51 1.02 -0.29 2.39 2.02 -1.50 -1.48 112.91 115.59 2bkx h THR 186 Ca 0.08 -0.25 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 2bkx h THR 186 Cb 0.65 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 2bkx h THR 186 CO 0.05 0.13 -0.02 0.40 0.37 0.00 0.00 175.52 176.45 2bkx h ILE 187 N 0.73 1.26 0.00 3.11 2.04 -0.83 -3.14 117.51 120.68 2bkx h ILE 187 Ca 0.28 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 2bkx h ILE 187 Cb 0.11 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2bkx h ILE 187 CO -0.15 0.31 -0.06 -0.07 0.00 0.00 0.00 178.15 178.19 2bkx h LEU 188 N 0.30 0.00 0.00 1.44 3.38 -0.68 -1.74 115.31 118.01 2bkx h LEU 188 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2bkx h LEU 188 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2bkx h LEU 188 CO 0.02 0.06 0.00 -1.20 0.09 0.00 0.00 178.44 177.41 2bkx n SER 189 N -3.30 0.00 -4.74 -0.43 7.64 -0.59 -4.82 113.62 107.38 2bkx n SER 189 Ca -0.01 0.43 -0.36 0.00 1.01 0.00 0.00 58.87 59.93 2bkx n SER 189 Cb 0.23 -0.47 0.06 0.00 -1.01 0.00 0.00 64.21 63.03 2bkx n SER 189 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2bkx s SER 190 N -2.93 4.70 0.31 6.43 0.15 -0.66 -4.64 113.70 117.06 2bkx s SER 190 Ca 0.10 2.51 0.09 0.00 0.70 0.00 0.00 55.95 59.35 2bkx s SER 190 Cb 0.11 -2.61 0.51 0.00 -1.71 0.00 0.00 66.02 62.32 2bkx s SER 190 CO 0.31 -1.93 1.72 0.11 1.20 0.00 0.00 173.24 174.64 2bkx h LYS 191 N 0.50 0.13 -2.72 5.44 1.57 -1.36 -3.45 116.57 116.68 2bkx h LYS 191 Ca -0.50 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.09 2bkx h LYS 191 Cb 1.32 -0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.37 2bkx h LYS 191 CO 0.53 0.55 -0.29 0.50 -0.57 0.00 0.00 179.45 180.17 2bkx s ARG 192 N -4.05 0.41 -0.07 3.15 3.52 -1.21 -4.67 118.95 116.02 2bkx s ARG 192 Ca -0.03 0.67 0.03 0.00 -0.13 0.00 0.00 55.73 56.27 2bkx s ARG 192 Cb 0.13 0.07 -0.02 0.00 -1.56 0.00 0.00 34.95 33.58 2bkx s ARG 192 CO 0.76 -0.12 -0.15 0.42 -0.81 0.00 0.00 175.30 175.40 2bkx s ILE 193 N 0.90 2.94 -0.28 4.11 1.01 0.10 -0.35 121.20 129.64 2bkx s ILE 193 Ca -0.06 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.86 2bkx s ILE 193 Cb -0.06 -2.17 0.08 0.00 0.01 0.00 0.00 42.46 40.32 2bkx s ILE 193 CO -0.07 0.57 0.01 -0.22 0.00 0.00 0.00 174.94 175.23 2bkx s LEU 194 N -0.36 3.03 -0.24 2.97 2.96 -0.25 -1.08 118.68 125.70 2bkx s LEU 194 Ca 0.04 -1.52 -0.10 0.00 -0.22 0.00 0.00 54.13 52.32 2bkx s LEU 194 Cb -0.12 -1.22 -0.05 0.00 0.50 0.00 0.00 46.19 45.30 2bkx s LEU 194 CO 0.02 -0.31 0.16 -0.22 -1.32 0.00 0.00 176.35 174.68 2bkx s LEU 195 N 1.33 4.06 -0.12 -0.68 2.96 0.10 -0.96 118.68 125.36 2bkx s LEU 195 Ca 0.02 0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 53.98 2bkx s LEU 195 Cb -0.19 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 2bkx s LEU 195 CO -0.11 0.05 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.15 2bkx s LEU 196 N 1.16 3.19 -0.05 -0.68 1.43 -0.39 -0.61 118.68 122.73 2bkx s LEU 196 Ca 0.07 -0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 53.05 2bkx s LEU 196 Cb -0.14 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.38 2bkx s LEU 196 CO 0.05 0.24 0.09 -0.63 0.23 0.00 0.00 176.35 176.33 2bkx s ILE 197 N -0.06 -0.13 -0.01 -0.59 1.01 -0.07 -4.17 121.20 117.17 2bkx s ILE 197 Ca 0.01 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.02 2bkx s ILE 197 Cb -0.13 -0.18 0.01 0.00 0.01 0.00 0.00 42.46 42.17 2bkx s ILE 197 CO 0.03 0.15 0.00 -0.55 0.00 0.00 0.00 174.94 174.57 2bkx s SER 198 N 1.94 0.09 0.00 3.58 0.15 -1.26 -1.86 113.70 116.34 2bkx s SER 198 Ca 0.01 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.66 2bkx s SER 198 Cb -0.12 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 2bkx s SER 198 CO -0.04 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 174.97 2bkx n GLY 199 N 3.44 1.00 0.30 9.45 0.00 -1.26 -4.60 105.19 113.53 2bkx n GLY 199 Ca -0.17 -1.74 0.12 0.00 0.00 0.00 0.00 46.02 44.23 2bkx n GLY 199 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2bkx h LYS 200 N 0.00 0.00 0.00 1.61 3.64 -1.94 -2.15 116.57 117.72 2bkx h LYS 200 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2bkx h LYS 200 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2bkx h LYS 200 CO 0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 2bkx h SER 201 N 0.00 0.00 -0.08 4.20 4.64 -1.90 -2.15 113.55 118.27 2bkx h SER 201 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2bkx h SER 201 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2bkx h SER 201 CO -0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 2bkx n LYS 202 N -2.85 1.89 -0.18 4.77 4.76 -0.81 -4.64 118.16 121.09 2bkx n LYS 202 Ca -0.02 -1.77 -0.02 0.00 -2.87 0.00 0.00 58.31 53.63 2bkx n LYS 202 Cb 0.12 -1.40 0.19 0.00 -1.84 0.00 0.00 35.03 32.11 2bkx n LYS 202 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2bkx h ALA 203 N 3.95 1.28 -0.56 7.82 0.00 -1.48 0.36 119.26 130.63 2bkx h ALA 203 Ca 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2bkx h ALA 203 Cb 0.85 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2bkx h ALA 203 CO 0.00 0.54 -0.07 0.93 0.00 0.00 0.00 179.25 180.66 2bkx h GLU 204 N 0.93 1.03 -0.72 0.00 5.08 -1.82 -1.88 114.58 117.20 2bkx h GLU 204 Ca 0.22 -0.36 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 2bkx h GLU 204 Cb 0.13 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2bkx h GLU 204 CO -0.03 1.04 0.21 0.00 -1.00 0.00 0.00 179.01 179.24 2bkx h ALA 205 N 0.99 0.94 -0.42 3.43 0.00 -1.59 -1.84 119.26 120.78 2bkx h ALA 205 Ca 0.15 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2bkx h ALA 205 Cb 0.63 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2bkx h ALA 205 CO 0.04 0.64 0.26 0.28 0.00 0.00 0.00 179.25 180.47 2bkx h VAL 206 N 1.07 1.08 -0.36 0.00 2.07 -0.81 -0.18 116.25 119.12 2bkx h VAL 206 Ca 0.23 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.61 2bkx h VAL 206 Cb 0.33 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 2bkx h VAL 206 CO -0.00 0.10 0.08 -0.09 0.02 0.00 0.00 177.57 177.68 2bkx h ARG 207 N 0.54 0.21 -0.71 1.57 2.43 -1.03 -0.56 114.38 116.82 2bkx h ARG 207 Ca 0.16 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 2bkx h ARG 207 Cb -0.04 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 2bkx h ARG 207 CO -0.05 0.14 0.24 0.87 -1.51 0.00 0.00 179.97 179.65 2bkx h LYS 208 N 0.21 1.09 -0.21 0.20 1.57 -1.02 -1.05 116.57 117.36 2bkx h LYS 208 Ca 0.17 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2bkx h LYS 208 Cb 0.18 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2bkx h LYS 208 CO -0.21 0.93 0.13 1.25 -0.57 0.00 0.00 179.45 180.98 2bkx h LEU 209 N 1.04 0.25 -0.92 2.94 5.85 -0.62 -2.98 115.31 120.87 2bkx h LEU 209 Ca 0.23 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 2bkx h LEU 209 Cb 0.28 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2bkx h LEU 209 CO -0.01 0.21 -0.35 -0.07 -0.34 0.00 0.00 178.44 177.88 2bkx h LEU 210 N 0.27 0.00 -1.57 2.25 3.38 -0.93 -2.59 115.31 116.12 2bkx h LEU 210 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2bkx h LEU 210 Cb -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2bkx h LEU 210 CO -0.02 0.35 -0.15 -0.33 0.09 0.00 0.00 178.44 178.38 2bkx h GLU 211 N 0.00 0.00 0.00 1.13 5.08 -1.04 -3.47 114.58 116.28 2bkx h GLU 211 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bkx h GLU 211 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2bkx h GLU 211 CO 0.04 0.15 0.00 0.41 -1.00 0.00 0.00 179.01 178.61 2bkx n GLY 212 N -0.27 0.62 3.72 -3.84 0.00 -0.98 -5.01 105.19 99.43 2bkx n GLY 212 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2bkx n GLY 212 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2bkx s ASN 213 N -2.05 6.84 -0.32 1.61 2.47 -1.26 -4.99 114.94 117.24 2bkx s ASN 213 Ca 0.00 2.33 -0.10 0.00 0.42 0.00 0.00 52.86 55.51 2bkx s ASN 213 Cb 0.00 -2.59 -0.00 0.00 -1.45 0.00 0.00 41.25 37.21 2bkx s ASN 213 CO 0.00 -0.64 0.15 -0.63 -3.72 0.00 0.00 177.10 172.26 2bkx s ILE 214 N 1.01 4.54 0.01 -5.21 1.01 -1.26 -4.82 121.20 116.48 2bkx s ILE 214 Ca 0.64 -0.50 -0.28 0.00 0.00 0.00 0.00 60.65 60.51 2bkx s ILE 214 Cb -0.37 -3.34 0.09 0.00 0.01 0.00 0.00 42.46 38.85 2bkx s ILE 214 CO 0.31 0.03 0.79 -0.94 0.00 0.00 0.00 174.94 175.14 2bkx s SER 215 N 1.60 -0.47 0.54 3.58 1.04 -1.26 -5.02 113.70 113.70 2bkx s SER 215 Ca 0.04 0.18 0.36 0.00 0.48 0.00 0.00 55.95 57.01 2bkx s SER 215 Cb -0.17 0.45 1.77 0.00 0.10 0.00 0.00 66.02 68.17 2bkx s SER 215 CO 0.06 -0.67 2.08 -0.33 0.98 0.00 0.00 173.24 175.36 2bkx h GLU 216 N 2.25 0.00 0.00 4.02 5.08 -1.96 -2.00 114.58 121.98 2bkx h GLU 216 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2bkx h GLU 216 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2bkx h GLU 216 CO 0.34 0.00 0.00 0.22 -1.00 0.00 0.00 179.01 178.57 2bkx h ASP 217 N 0.00 0.00 -3.22 1.42 3.58 -1.93 0.63 116.42 116.90 2bkx h ASP 217 Ca 0.00 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.84 2bkx h ASP 217 Cb 0.19 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 40.85 2bkx h ASP 217 CO 0.00 0.00 -0.76 0.12 -2.88 0.00 0.00 179.24 175.72 2bkx s PHE 218 N -3.62 1.84 0.31 0.28 5.36 -0.75 -4.61 117.98 116.79 2bkx s PHE 218 Ca 0.01 -2.38 0.07 0.00 -0.96 0.00 0.00 56.93 53.68 2bkx s PHE 218 Cb 0.09 -1.72 0.79 0.00 -0.34 0.00 0.00 43.02 41.84 2bkx s PHE 218 CO 0.48 -0.77 1.77 -1.35 -1.46 0.00 0.00 175.22 173.88 2bkx h PRO 219 N 6.55 0.69 0.00 10.12 0.11 -1.69 0.26 132.00 148.04 2bkx h PRO 219 Ca 0.04 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2bkx h PRO 219 Cb 0.92 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.87 2bkx h PRO 219 CO 0.46 0.46 0.00 0.00 -0.21 0.00 0.00 178.00 178.70 2bkx h ALA 220 N 1.67 1.00 0.00 -0.75 0.00 -1.38 -1.58 119.26 118.21 2bkx h ALA 220 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.51 2bkx h ALA 220 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2bkx h ALA 220 CO -0.40 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.51 2bkx h SER 221 N 0.00 0.00 -0.31 0.00 4.64 -1.22 -1.27 113.55 115.39 2bkx h SER 221 Ca 0.00 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.41 2bkx h SER 221 Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 2bkx h SER 221 CO 0.00 0.00 0.27 0.00 -0.87 0.00 0.00 176.83 176.23 2bkx h ALA 222 N 2.02 2.11 0.00 5.18 0.00 -1.46 -1.91 119.26 125.20 2bkx h ALA 222 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2bkx h ALA 222 Cb 0.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2bkx h ALA 222 CO 0.00 -0.43 0.00 -0.07 0.00 0.00 0.00 179.25 178.75 2bkx h LEU 223 N 0.00 0.00 -0.56 0.00 3.38 -1.45 -0.81 115.31 115.87 2bkx h LEU 223 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2bkx h LEU 223 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2bkx h LEU 223 CO -0.00 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.94 2bkx n HIS 224 N -2.79 0.43 1.00 1.13 8.25 -0.72 -2.27 115.22 120.26 2bkx n HIS 224 Ca -0.00 0.19 0.12 0.00 -0.26 0.00 0.00 57.72 57.77 2bkx n HIS 224 Cb 0.19 -0.81 0.25 0.00 1.12 0.00 0.00 29.99 30.75 2bkx n HIS 224 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2bkx n LEU 225 N -1.91 2.59 -4.87 2.41 4.77 -0.31 -4.93 117.00 114.75 2bkx n LEU 225 Ca 0.01 -0.95 -0.31 0.00 -0.03 0.00 0.00 56.01 54.73 2bkx n LEU 225 Cb 0.12 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 2bkx n LEU 225 CO 0.12 0.47 -0.19 -2.28 -1.33 0.00 0.00 177.39 174.18 2bkx s HIS 226 N -1.88 3.42 -1.02 -1.77 2.46 -0.96 -5.03 115.29 110.52 2bkx s HIS 226 Ca 0.33 0.22 0.26 0.00 0.47 0.00 0.00 55.06 56.35 2bkx s HIS 226 Cb 0.21 -1.74 0.75 0.00 -0.13 0.00 0.00 32.58 31.67 2bkx s HIS 226 CO 0.31 0.58 1.58 0.43 -2.47 0.00 0.00 174.74 175.17 2bkx n SER 227 N 0.54 0.35 -3.08 9.88 7.64 -1.26 -4.55 113.62 123.14 2bkx n SER 227 Ca -0.08 -0.04 -0.17 0.00 1.01 0.00 0.00 58.87 59.60 2bkx n SER 227 Cb 0.52 0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.69 2bkx n SER 227 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2bkx n ASP 228 N -1.48 -1.69 -4.25 6.43 -0.08 -1.26 -4.95 116.55 109.27 2bkx n ASP 228 Ca 0.06 -2.70 -0.33 0.00 -1.51 0.00 0.00 54.79 50.32 2bkx n ASP 228 Cb 0.34 0.48 -0.16 0.00 2.34 0.00 0.00 41.12 44.12 2bkx n ASP 228 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2bkx s VAL 229 N 0.25 2.46 -0.09 5.18 1.01 -1.26 -0.72 120.40 127.22 2bkx s VAL 229 Ca 0.32 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2bkx s VAL 229 Cb 0.06 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 2bkx s VAL 229 CO -0.14 0.53 -0.16 -0.89 0.00 0.00 0.00 175.10 174.44 2bkx s THR 230 N 0.61 2.85 -0.18 3.92 2.01 -0.24 -0.62 115.64 123.99 2bkx s THR 230 Ca -0.10 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.15 2bkx s THR 230 Cb -0.16 -2.15 0.03 0.00 0.01 0.00 0.00 72.50 70.23 2bkx s THR 230 CO 0.03 0.55 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.65 2bkx s VAL 231 N -0.03 1.88 -0.22 3.82 1.01 0.50 -0.72 120.40 126.64 2bkx s VAL 231 Ca -0.04 -0.90 -0.09 0.00 0.00 0.00 0.00 61.98 60.95 2bkx s VAL 231 Cb -0.14 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2bkx s VAL 231 CO 0.04 0.44 0.10 -0.76 0.00 0.00 0.00 175.10 174.93 2bkx s LEU 232 N 1.35 3.83 -0.08 3.92 1.43 0.22 -0.61 118.68 128.74 2bkx s LEU 232 Ca 0.03 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 2bkx s LEU 232 Cb -0.14 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.10 2bkx s LEU 232 CO -0.11 0.08 -0.06 -0.63 0.23 0.00 0.00 176.35 175.86 2bkx s ILE 233 N 0.96 0.79 0.86 -0.59 1.01 -0.58 -0.90 121.20 122.76 2bkx s ILE 233 Ca 0.05 -0.19 -0.13 0.00 0.00 0.00 0.00 60.65 60.39 2bkx s ILE 233 Cb -0.14 -0.83 0.12 0.00 0.01 0.00 0.00 42.46 41.62 2bkx s ILE 233 CO 0.03 0.31 1.20 1.51 0.00 0.00 0.00 174.94 177.99 2bkx s ASP 234 N 1.45 4.01 0.22 3.58 1.47 -0.78 -0.68 116.67 125.95 2bkx s ASP 234 Ca -0.01 0.71 -0.09 0.00 1.18 0.00 0.00 52.55 54.34 2bkx s ASP 234 Cb -0.13 -1.12 0.20 0.00 -0.34 0.00 0.00 42.92 41.53 2bkx s ASP 234 CO -0.04 -2.21 1.89 0.03 0.68 0.00 0.00 175.17 175.52 2bkx h ARG 235 N -1.27 1.07 -0.60 2.11 2.47 -1.69 -1.54 114.38 114.93 2bkx h ARG 235 Ca -0.46 -0.06 -0.09 0.00 -1.26 0.00 0.00 59.98 58.10 2bkx h ARG 235 Cb 1.31 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 29.37 2bkx h ARG 235 CO 0.59 0.71 0.03 0.93 0.56 0.00 0.00 179.97 182.79 2bkx h GLU 236 N 1.10 1.03 0.00 0.04 3.07 -1.90 -2.29 114.58 115.62 2bkx h GLU 236 Ca 0.31 -0.30 -0.03 0.00 -0.50 0.00 0.00 59.36 58.84 2bkx h GLU 236 Cb -0.09 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 27.71 2bkx h GLU 236 CO -0.08 0.99 -0.13 0.00 -1.40 0.00 0.00 179.01 178.39 2bkx h ALA 237 N 1.07 1.01 -0.07 3.43 0.00 -1.44 -3.12 119.26 120.14 2bkx h ALA 237 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2bkx h ALA 237 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2bkx h ALA 237 CO 0.02 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.44 2bkx n ALA 238 N -2.17 2.55 0.36 0.00 0.00 -0.64 -4.00 120.51 116.62 2bkx n ALA 238 Ca 0.01 -0.48 0.14 0.00 0.00 0.00 0.00 53.44 53.10 2bkx n ALA 238 Cb 0.39 -1.13 0.56 0.00 0.00 0.00 0.00 19.45 19.27 2bkx n ALA 238 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2bkx h SER 239 N 2.35 0.00 -0.05 0.00 4.64 -1.46 -2.62 113.55 116.41 2bkx h SER 239 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2bkx h SER 239 Cb 0.51 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2bkx h SER 239 CO 0.00 0.00 -0.08 0.18 -0.87 0.00 0.00 176.83 176.06 2bkx n LEU 240 N -2.49 2.68 -4.74 5.97 4.77 -1.26 -5.07 117.00 116.86 2bkx n LEU 240 Ca 0.02 -3.23 -0.34 0.00 -0.03 0.00 0.00 56.01 52.43 2bkx n LEU 240 Cb 0.25 -0.47 0.08 0.00 -2.33 0.00 0.00 43.42 40.95 2bkx n LEU 240 CO 0.22 0.83 0.77 0.00 -1.33 0.00 0.00 177.39 177.88 2bkx s ARG 241 N -2.94 2.32 0.00 3.23 1.70 -0.99 -4.57 118.95 117.70 2bkx s ARG 241 Ca 0.35 1.62 0.18 0.00 -0.47 0.00 0.00 55.73 57.41 2bkx s ARG 241 Cb 0.31 -1.87 1.08 0.00 -0.57 0.00 0.00 34.95 33.90 2bkx s ARG 241 CO 0.02 -1.67 1.48 -0.35 -1.08 0.00 0.00 175.30 173.70