#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2b h SER 2 N 0.00 0.16 -0.47 7.83 4.64 -1.93 -0.19 113.55 123.59 2k2b h SER 2 Ca 0.00 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 2k2b h SER 2 Cb 0.00 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 2k2b h SER 2 CO 0.00 0.06 0.15 -0.50 -0.87 0.00 0.00 176.83 175.67 2k2b h TRP 3 N 0.16 0.81 -0.86 4.77 4.06 -1.99 0.10 115.95 123.00 2k2b h TRP 3 Ca 0.42 -0.06 0.04 0.00 2.06 0.00 0.00 58.89 61.34 2k2b h TRP 3 Cb 1.39 -0.24 -0.05 0.00 -1.00 0.00 0.00 29.16 29.26 2k2b h TRP 3 CO -0.00 0.67 0.56 1.98 -3.56 0.00 0.00 178.44 178.09 2k2b h MET 4 N 0.77 1.01 -0.38 0.49 4.05 -1.33 -0.07 114.93 119.48 2k2b h MET 4 Ca 0.17 -0.06 -0.11 0.00 -0.28 0.00 0.00 59.70 59.43 2k2b h MET 4 Cb 0.25 -0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 2k2b h MET 4 CO -0.01 0.67 -0.18 1.96 0.23 0.00 0.00 176.91 179.59 2k2b h GLN 5 N 1.04 0.78 -0.12 0.39 1.08 -1.24 -1.78 115.11 115.28 2k2b h GLN 5 Ca 0.35 -0.34 0.02 0.00 -1.45 0.00 0.00 58.65 57.23 2k2b h GLN 5 Cb 0.07 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 2k2b h GLN 5 CO -0.11 0.96 -0.01 -0.97 -0.95 0.00 0.00 178.83 177.75 2k2b h ASN 6 N 0.58 -0.06 -0.15 1.46 -1.24 -0.03 -1.71 115.58 114.43 2k2b h ASN 6 Ca 0.08 0.03 -0.04 0.00 0.71 0.00 0.00 56.30 57.08 2k2b h ASN 6 Cb 0.72 0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.82 2k2b h ASN 6 CO 0.05 -0.01 -0.05 -0.07 -1.29 0.00 0.00 177.43 176.05 2k2b h LEU 7 N 0.03 0.31 -2.13 0.34 -0.00 -1.07 -3.13 115.31 109.66 2k2b h LEU 7 Ca 0.05 -0.39 -0.02 0.00 -0.00 0.00 0.00 57.88 57.53 2k2b h LEU 7 Cb 0.07 -0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 40.64 2k2b h LEU 7 CO -0.10 0.63 -0.07 0.07 -0.00 0.00 0.00 178.44 178.97 2k2b h LYS 8 N -0.01 0.00 -0.24 1.13 2.10 -1.27 -0.87 116.57 117.41 2k2b h LYS 8 Ca 0.04 0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.76 2k2b h LYS 8 Cb 0.51 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.83 2k2b h LYS 8 CO 0.02 0.07 0.18 -0.97 -2.00 0.00 0.00 179.45 176.75 2k2b h ASN 9 N 0.00 0.00 -1.91 7.07 -0.73 -1.25 -3.26 115.58 115.50 2k2b h ASN 9 Ca -0.00 0.00 -0.54 0.00 1.87 0.00 0.00 56.30 57.62 2k2b h ASN 9 Cb 0.24 -0.00 -0.38 0.00 0.27 0.00 0.00 38.32 38.46 2k2b h ASN 9 CO 0.01 0.00 -1.08 0.00 -0.37 0.00 0.00 177.43 175.99 2k2b n TYR 10 N -4.47 -0.52 -1.57 0.67 0.18 -0.35 -4.60 117.16 106.51 2k2b n TYR 10 Ca 0.03 -3.47 -0.13 0.00 1.88 0.00 0.00 57.90 56.20 2k2b n TYR 10 Cb 0.32 -0.25 -0.08 0.00 -0.38 0.00 0.00 39.34 38.96 2k2b n TYR 10 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 2k2b s GLN 11 N -1.08 1.50 -0.08 -3.48 2.00 -1.11 -4.76 119.66 112.66 2k2b s GLN 11 Ca 0.35 0.35 -0.12 0.00 -2.00 0.00 0.00 55.36 53.94 2k2b s GLN 11 Cb 0.17 -4.81 -0.09 0.00 0.80 0.00 0.00 33.01 29.08 2k2b s GLN 11 CO -0.12 -4.66 0.45 1.25 -0.50 0.00 0.00 175.29 171.71 2k2b h HIS 12 N 12.53 -0.19 0.00 1.67 -0.00 -1.95 -3.48 115.15 123.72 2k2b h HIS 12 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2k2b h HIS 12 Cb 1.00 0.06 0.00 0.00 -0.00 0.00 0.00 27.41 28.47 2k2b h HIS 12 CO 1.14 0.07 0.00 1.28 -0.00 0.00 0.00 177.93 180.42 2k2b n LEU 13 N -4.89 0.00 -2.21 0.26 4.77 -1.26 -5.07 117.00 108.60 2k2b n LEU 13 Ca -0.05 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.91 2k2b n LEU 13 Cb 0.17 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 2k2b n LEU 13 CO 0.14 0.00 0.39 -2.11 -1.33 0.00 0.00 177.39 174.48 2k2b n ARG 14 N 0.00 1.00 -1.53 3.23 0.00 -1.26 -5.11 116.66 112.99 2k2b n ARG 14 Ca 0.00 -1.68 -0.47 0.00 -0.00 0.00 0.00 57.85 55.70 2k2b n ARG 14 Cb 0.00 0.01 -0.05 0.00 -0.00 0.00 0.00 32.46 32.42 2k2b n ARG 14 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2k2b n ASP 15 N -0.82 2.72 -0.00 2.89 9.92 -1.26 -4.81 116.55 125.19 2k2b n ASP 15 Ca -0.13 0.32 0.14 0.00 -0.53 0.00 0.00 54.79 54.59 2k2b n ASP 15 Cb 0.85 -1.41 0.59 0.00 -0.64 0.00 0.00 41.12 40.51 2k2b n ASP 15 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2k2b n PRO 16 N 8.43 0.08 -0.03 -0.24 -0.04 -1.26 -4.48 135.00 137.47 2k2b n PRO 16 Ca 0.35 -0.01 -0.02 0.00 -0.04 0.00 0.00 63.50 63.79 2k2b n PRO 16 Cb 0.34 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.29 2k2b n PRO 16 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2k2b h SER 17 N 0.02 -0.26 -0.49 3.54 0.02 -1.99 0.40 113.55 114.80 2k2b h SER 17 Ca 0.00 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2k2b h SER 17 Cb 0.47 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 2k2b h SER 17 CO 0.00 -0.05 0.27 -0.33 -1.14 0.00 0.00 176.83 175.58 2k2b h GLU 18 N -0.04 0.72 -0.58 3.45 4.39 -1.97 -2.28 114.58 118.26 2k2b h GLU 18 Ca 0.01 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 2k2b h GLU 18 Cb 0.07 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 2k2b h GLU 18 CO -0.09 0.54 0.13 1.88 -1.16 0.00 0.00 179.01 180.31 2k2b h TYR 19 N 0.72 0.94 0.00 4.33 -1.99 -1.53 0.64 116.97 120.08 2k2b h TYR 19 Ca 0.18 -0.10 -0.04 0.00 2.00 0.00 0.00 58.73 60.78 2k2b h TYR 19 Cb 0.05 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 38.50 2k2b h TYR 19 CO 0.00 0.79 -0.17 0.52 -0.00 0.00 0.00 178.16 179.30 2k2b h MET 20 N 0.87 0.00 0.00 4.88 2.86 0.29 -1.31 114.93 122.51 2k2b h MET 20 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2k2b h MET 20 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2k2b h MET 20 CO 0.00 0.17 -1.09 0.43 1.06 0.00 0.00 176.91 177.48 2k2b n SER 21 N -3.25 0.67 0.08 1.22 7.64 -0.87 -4.18 113.62 114.95 2k2b n SER 21 Ca 0.01 0.15 -0.01 0.00 1.01 0.00 0.00 58.87 60.03 2k2b n SER 21 Cb 0.46 0.68 -0.05 0.00 -1.01 0.00 0.00 64.21 64.30 2k2b n SER 21 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2k2b h GLN 22 N 0.00 0.00 -5.48 1.43 5.75 0.67 -3.45 115.11 114.03 2k2b h GLN 22 Ca 0.00 0.00 -0.38 0.00 -0.15 0.00 0.00 58.65 58.12 2k2b h GLN 22 Cb 0.91 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.46 2k2b h GLN 22 CO 0.00 0.59 1.38 1.55 -2.65 0.00 0.00 178.83 179.70 2k2b n VAL 23 N -3.18 -0.06 -1.03 2.39 3.14 -0.53 -4.81 118.33 114.25 2k2b n VAL 23 Ca -0.02 -0.66 -0.15 0.00 -2.96 0.00 0.00 64.34 60.55 2k2b n VAL 23 Cb 0.84 -2.34 -0.09 0.00 -1.06 0.00 0.00 33.84 31.20 2k2b n VAL 23 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k2b n TYR 24 N 15.57 0.62 0.00 1.45 0.18 -1.26 -4.57 117.16 129.15 2k2b n TYR 24 Ca 0.43 -1.59 0.00 0.00 1.88 0.00 0.00 57.90 58.62 2k2b n TYR 24 Cb 0.46 -1.27 0.00 0.00 -0.38 0.00 0.00 39.34 38.15 2k2b n TYR 24 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2k2b n GLY 25 N 1.63 1.16 3.59 -7.48 0.00 -1.26 -0.86 105.19 101.97 2k2b n GLY 25 Ca 0.36 0.39 -0.38 0.00 0.00 0.00 0.00 46.02 46.39 2k2b n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k2b s ASP 26 N 2.00 5.97 0.45 1.61 1.01 -1.26 -4.68 116.67 121.76 2k2b s ASP 26 Ca 0.00 -0.01 0.18 0.00 0.71 0.00 0.00 52.55 53.43 2k2b s ASP 26 Cb 0.00 -2.11 1.13 0.00 1.01 0.00 0.00 42.92 42.95 2k2b s ASP 26 CO 0.00 -0.04 1.92 1.55 0.21 0.00 0.00 175.17 178.81 2k2b h PRO 27 N 8.28 0.33 -0.68 8.23 0.13 -1.93 0.26 132.00 146.61 2k2b h PRO 27 Ca -0.35 -0.02 0.06 0.00 -0.87 0.00 0.00 66.00 64.82 2k2b h PRO 27 Cb 1.19 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 2k2b h PRO 27 CO 0.56 0.22 0.45 -0.07 -0.23 0.00 0.00 178.00 178.92 2k2b h LEU 28 N 0.34 0.61 0.01 1.56 4.07 -1.99 -1.72 115.31 118.18 2k2b h LEU 28 Ca 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.33 2k2b h LEU 28 Cb 0.97 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.58 2k2b h LEU 28 CO -0.11 0.39 -0.01 0.00 -1.08 0.00 0.00 178.44 177.64 2k2b h ALA 29 N 1.63 -0.02 0.00 1.53 0.00 -1.26 -2.63 119.26 118.52 2k2b h ALA 29 Ca 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2k2b h ALA 29 Cb 0.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2k2b h ALA 29 CO -0.09 -0.41 0.00 1.88 0.00 0.00 0.00 179.25 180.63 2k2b h TYR 30 N -0.21 0.00 -0.09 0.00 -1.99 -1.49 -0.19 116.97 113.00 2k2b h TYR 30 Ca -0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 2k2b h TYR 30 Cb 0.21 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.93 2k2b h TYR 30 CO -0.01 0.00 0.02 -0.07 -0.00 0.00 0.00 178.16 178.10 2k2b h LEU 31 N 0.00 0.14 -0.72 3.88 3.38 -1.04 -1.31 115.31 119.64 2k2b h LEU 31 Ca 0.00 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.78 2k2b h LEU 31 Cb 0.43 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 2k2b h LEU 31 CO 0.00 0.35 0.43 -0.61 0.09 0.00 0.00 178.44 178.70 2k2b h GLN 32 N -0.07 0.77 0.01 1.13 5.75 -0.95 -2.20 115.11 119.54 2k2b h GLN 32 Ca 0.03 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2k2b h GLN 32 Cb 0.27 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 28.64 2k2b h GLN 32 CO 0.00 0.51 -0.04 1.49 -2.65 0.00 0.00 178.83 178.14 2k2b h GLU 33 N 0.79 -0.05 -0.13 1.69 4.57 -0.91 -1.48 114.58 119.06 2k2b h GLU 33 Ca 0.31 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.48 2k2b h GLU 33 Cb 0.14 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 2k2b h GLU 33 CO -0.16 -0.03 0.01 0.00 -1.18 0.00 0.00 179.01 177.65 2k2b h THR 34 N -0.05 1.08 -0.08 0.32 1.03 -1.26 -1.51 112.91 112.43 2k2b h THR 34 Ca -0.00 -0.31 -0.05 0.00 -0.01 0.00 0.00 66.41 66.05 2k2b h THR 34 Cb 0.05 0.97 -0.00 0.00 -1.07 0.00 0.00 68.15 68.10 2k2b h THR 34 CO -0.02 0.10 -0.13 0.74 -0.01 0.00 0.00 175.52 176.21 2k2b h THR 35 N 0.19 1.40 0.16 0.00 2.02 -1.31 -3.36 112.91 111.99 2k2b h THR 35 Ca 0.05 -1.39 -0.22 0.00 0.77 0.00 0.00 66.41 65.62 2k2b h THR 35 Cb 0.11 2.13 0.02 0.00 -1.74 0.00 0.00 68.15 68.67 2k2b h THR 35 CO 0.00 0.39 -0.99 0.11 0.37 0.00 0.00 175.52 175.40 2k2b h LYS 36 N -0.23 0.33 -4.24 6.66 1.79 -1.10 -3.50 116.57 116.27 2k2b h LYS 36 Ca 0.01 -0.56 0.00 0.00 -2.18 0.00 0.00 60.65 57.91 2k2b h LYS 36 Cb 0.69 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 2k2b h LYS 36 CO 0.03 1.27 -0.32 0.34 -1.08 0.00 0.00 179.45 179.68 2k2b n PHE 37 N -4.04 -1.98 -1.09 -1.35 7.35 -0.58 -4.03 117.46 111.74 2k2b n PHE 37 Ca -0.16 0.81 -0.06 0.00 -0.76 0.00 0.00 57.45 57.28 2k2b n PHE 37 Cb 0.88 -2.93 -0.03 0.00 0.35 0.00 0.00 39.48 37.75 2k2b n PHE 37 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 2k2b n VAL 38 N -0.25 0.00 -3.38 -2.13 0.24 -1.26 -4.86 118.33 106.69 2k2b n VAL 38 Ca 0.05 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.09 2k2b n VAL 38 Cb 0.21 -0.66 -0.08 0.00 -1.47 0.00 0.00 33.84 31.84 2k2b n VAL 38 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2k2b n THR 39 N -1.38 1.91 0.00 3.34 -2.24 -1.26 -5.03 114.28 109.61 2k2b n THR 39 Ca -0.06 -5.04 0.00 0.00 -2.27 0.00 0.00 64.05 56.67 2k2b n THR 39 Cb 0.24 -2.07 0.00 0.00 -2.10 0.00 0.00 70.33 66.40 2k2b n THR 39 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2k2b n GLU 40 N 0.92 0.00 0.27 -0.78 0.00 -1.26 -4.98 120.64 114.81 2k2b n GLU 40 Ca 0.29 0.00 -0.15 0.00 0.00 0.00 0.00 57.16 57.29 2k2b n GLU 40 Cb 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.79 2k2b n GLU 40 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 2k2b h ARG 41 N 0.00 -0.66 -0.73 5.31 0.11 -1.96 -2.88 114.38 113.57 2k2b h ARG 41 Ca 0.00 0.05 0.18 0.00 0.10 0.00 0.00 59.98 60.30 2k2b h ARG 41 Cb 0.00 0.15 -0.04 0.00 1.11 0.00 0.00 29.97 31.19 2k2b h ARG 41 CO 0.00 -0.37 0.50 0.93 0.10 0.00 0.00 179.97 181.14 2k2b h GLU 42 N -0.89 0.19 0.00 0.08 5.08 -1.95 0.83 114.58 117.92 2k2b h GLU 42 Ca -0.07 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2k2b h GLU 42 Cb 0.60 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 2k2b h GLU 42 CO 0.12 0.13 -0.28 -0.92 -1.00 0.00 0.00 179.01 177.05 2k2b h TYR 43 N 0.20 -0.77 -0.45 4.33 5.03 -1.73 0.56 116.97 124.13 2k2b h TYR 43 Ca 0.36 0.03 -0.15 0.00 2.58 0.00 0.00 58.73 61.54 2k2b h TYR 43 Cb 1.11 0.34 -0.09 0.00 1.55 0.00 0.00 36.73 39.64 2k2b h TYR 43 CO -0.00 -0.38 0.08 2.48 -1.32 0.00 0.00 178.16 179.03 2k2b n TYR 44 N -5.39 1.48 0.00 -3.82 0.18 0.14 -3.77 117.16 105.98 2k2b n TYR 44 Ca -0.05 -1.28 0.00 0.00 1.88 0.00 0.00 57.90 58.46 2k2b n TYR 44 Cb 0.30 -0.51 0.00 0.00 -0.38 0.00 0.00 39.34 38.76 2k2b n TYR 44 CO 0.00 0.00 0.00 -1.91 -2.08 0.00 0.00 176.86 172.87 2k2b n GLU 45 N -0.70 0.62 0.01 -3.48 2.13 0.27 -2.01 120.64 117.48 2k2b n GLU 45 Ca 0.33 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 58.15 2k2b n GLU 45 Cb 1.11 -0.63 -0.00 0.00 0.27 0.00 0.00 31.44 32.19 2k2b n GLU 45 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2k2b n ASP 46 N -1.27 0.25 -3.53 4.31 2.03 -0.11 -4.21 116.55 114.02 2k2b n ASP 46 Ca 0.00 0.03 -0.21 0.00 0.52 0.00 0.00 54.79 55.13 2k2b n ASP 46 Cb 0.13 -0.08 -0.14 0.00 -0.72 0.00 0.00 41.12 40.32 2k2b n ASP 46 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2k2b s PHE 47 N -2.00 -0.11 0.00 -0.67 -0.71 -0.00 -4.78 117.98 109.71 2k2b s PHE 47 Ca -0.00 -0.01 0.00 0.00 -1.04 0.00 0.00 56.93 55.88 2k2b s PHE 47 Cb 0.00 -0.49 0.00 0.00 -1.21 0.00 0.00 43.02 41.32 2k2b s PHE 47 CO 0.00 -0.59 0.00 0.41 -1.34 0.00 0.00 175.22 173.70 2k2b n GLY 48 N 5.30 2.14 6.95 1.99 0.00 -1.25 -4.43 105.19 115.89 2k2b n GLY 48 Ca -0.06 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2k2b n GLY 48 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2k2b n TYR 49 N 0.00 0.00 0.00 1.61 0.18 -1.26 -4.70 117.16 112.98 2k2b n TYR 49 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 2k2b n TYR 49 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 2k2b n TYR 49 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2k2b n GLY 50 N 0.00 4.92 0.32 -7.48 0.00 -1.26 -4.54 105.19 97.15 2k2b n GLY 50 Ca 0.00 -0.65 0.16 0.00 0.00 0.00 0.00 46.02 45.53 2k2b n GLY 50 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2k2b h GLU 51 N 0.00 0.00 0.00 1.61 4.11 -1.16 -1.05 114.58 118.09 2k2b h GLU 51 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2k2b h GLU 51 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2k2b h GLU 51 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.08 2k2b n PHE 53 N -3.02 -0.50 -0.96 0.00 3.01 -0.43 -3.25 117.46 112.32 2k2b n PHE 53 Ca -0.02 0.09 -0.30 0.00 1.01 0.00 0.00 57.45 58.23 2k2b n PHE 53 Cb 0.09 0.23 0.16 0.00 -0.01 0.00 0.00 39.48 39.96 2k2b n PHE 53 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2k2b s ASN 54 N -5.26 2.89 -0.15 4.37 2.20 -1.01 0.44 114.94 118.42 2k2b s ASN 54 Ca 0.00 1.67 0.02 0.00 -0.94 0.00 0.00 52.86 53.62 2k2b s ASN 54 Cb 0.00 -2.31 0.26 0.00 -2.00 0.00 0.00 41.25 37.20 2k2b s ASN 54 CO 0.00 -3.03 1.27 -0.24 -2.94 0.00 0.00 177.10 172.15 2k2b n SER 55 N -4.16 3.18 -4.03 3.54 2.88 -1.25 -4.05 113.62 109.74 2k2b n SER 55 Ca 0.07 -2.55 -0.10 0.00 -1.33 0.00 0.00 58.87 54.97 2k2b n SER 55 Cb 0.54 -0.62 -0.06 0.00 -0.75 0.00 0.00 64.21 63.33 2k2b n SER 55 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2k2b s THR 56 N -1.32 0.00 -0.03 2.46 -1.32 -1.26 -4.85 115.64 109.33 2k2b s THR 56 Ca 0.21 -1.49 0.05 0.00 -1.21 0.00 0.00 61.69 59.25 2k2b s THR 56 Cb 0.17 -2.23 -0.01 0.00 -1.51 0.00 0.00 72.50 68.93 2k2b s THR 56 CO 0.04 -0.01 -0.17 -1.83 -2.21 0.00 0.00 174.62 170.44 2k2b s GLU 57 N -4.04 1.51 0.00 7.08 1.03 -1.26 -4.15 118.70 118.88 2k2b s GLU 57 Ca 0.25 -0.59 0.00 0.00 0.03 0.00 0.00 54.97 54.65 2k2b s GLU 57 Cb 0.01 -1.40 0.00 0.00 -0.80 0.00 0.00 34.13 31.94 2k2b s GLU 57 CO 0.09 0.30 0.00 0.45 -1.33 0.00 0.00 175.26 174.77 2k2b n SER 58 N 2.89 0.96 -0.20 0.83 2.88 -1.26 -4.81 113.62 114.91 2k2b n SER 58 Ca -0.16 -0.53 0.00 0.00 -1.33 0.00 0.00 58.87 56.86 2k2b n SER 58 Cb 0.54 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.09 2k2b n SER 58 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2k2b h GLU 59 N 0.00 0.14 -5.53 -1.46 4.57 -1.93 -3.39 114.58 106.99 2k2b h GLU 59 Ca 0.00 -0.01 -0.59 0.00 -1.18 0.00 0.00 59.36 57.58 2k2b h GLU 59 Cb 0.00 -0.03 -0.10 0.00 -0.16 0.00 0.00 28.75 28.46 2k2b h GLU 59 CO 0.00 0.09 -0.21 0.08 -1.18 0.00 0.00 179.01 177.80 2k2b s VAL 60 N -6.14 5.22 0.34 0.32 1.01 -1.26 -5.09 120.40 114.80 2k2b s VAL 60 Ca -0.13 0.74 -0.05 0.00 0.00 0.00 0.00 61.98 62.54 2k2b s VAL 60 Cb 0.18 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 2k2b s VAL 60 CO 0.74 0.30 0.62 -1.10 0.00 0.00 0.00 175.10 175.66 2k2b s GLN 61 N 0.94 3.62 -0.20 2.72 1.11 -1.26 -4.15 119.66 122.43 2k2b s GLN 61 Ca 0.20 0.06 -0.39 0.00 0.01 0.00 0.00 55.36 55.24 2k2b s GLN 61 Cb -0.14 -2.57 -0.16 0.00 -1.01 0.00 0.00 33.01 29.13 2k2b s GLN 61 CO 0.08 0.10 1.66 0.00 0.01 0.00 0.00 175.29 177.14 2k2b n GLU 63 N 4.79 0.24 -0.31 0.00 4.07 -1.26 -3.87 120.64 124.31 2k2b n GLU 63 Ca 0.25 0.11 0.14 0.00 -0.06 0.00 0.00 57.16 57.60 2k2b n GLU 63 Cb 0.14 -1.50 0.30 0.00 -0.06 0.00 0.00 31.44 30.33 2k2b n GLU 63 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2k2b h LEU 64 N 0.00 -0.09 0.02 4.31 7.12 -1.87 -1.93 115.31 122.87 2k2b h LEU 64 Ca 0.00 0.22 -0.39 0.00 0.13 0.00 0.00 57.88 57.84 2k2b h LEU 64 Cb 0.06 0.31 -0.06 0.00 -0.53 0.00 0.00 40.66 40.45 2k2b h LEU 64 CO 0.00 -0.22 -2.30 0.00 -0.13 0.00 0.00 178.44 175.79 2k2b n ILE 65 N -5.29 1.56 1.36 4.05 3.06 -1.25 -4.58 119.36 118.27 2k2b n ILE 65 Ca 0.23 -0.48 0.13 0.00 -2.50 0.00 0.00 62.75 60.12 2k2b n ILE 65 Cb 0.73 -1.66 0.45 0.00 0.54 0.00 0.00 39.64 39.71 2k2b n ILE 65 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2k2b n THR 66 N -3.68 0.09 -0.58 9.51 -2.24 -1.16 -4.94 114.28 111.28 2k2b n THR 66 Ca -0.45 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 2k2b n THR 66 Cb 0.94 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 2k2b n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k2b n GLY 67 N 1.16 5.30 3.43 3.38 0.00 -0.74 -4.93 105.19 112.79 2k2b n GLY 67 Ca 0.18 -0.85 0.01 0.00 0.00 0.00 0.00 46.02 45.35 2k2b n GLY 67 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k2b s GLU 68 N 4.05 0.57 0.00 1.61 2.56 -1.26 -4.94 118.70 121.29 2k2b s GLU 68 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 54.97 56.22 2k2b s GLU 68 Cb 0.00 0.72 0.00 0.00 2.00 0.00 0.00 34.13 36.85 2k2b s GLU 68 CO 0.00 -0.38 0.02 1.97 -0.56 0.00 0.00 175.26 176.31 2k2b n PHE 69 N 5.44 0.00 -1.58 5.30 1.16 -1.26 -4.31 117.46 122.20 2k2b n PHE 69 Ca -0.07 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.13 2k2b n PHE 69 Cb 0.50 0.00 0.05 0.00 -1.61 0.00 0.00 39.48 38.42 2k2b n PHE 69 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 2k2b n ASP 70 N -0.05 0.39 -3.72 5.98 9.92 -1.26 -4.79 116.55 123.03 2k2b n ASP 70 Ca 0.00 0.79 -0.41 0.00 -0.53 0.00 0.00 54.79 54.64 2k2b n ASP 70 Cb 0.11 -1.34 -0.09 0.00 -0.64 0.00 0.00 41.12 39.16 2k2b n ASP 70 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2k2b n PRO 71 N -0.81 0.79 -0.08 -0.24 -0.02 -1.26 -4.36 135.00 129.01 2k2b n PRO 71 Ca 0.13 -1.53 -0.16 0.00 -2.02 0.00 0.00 63.50 59.92 2k2b n PRO 71 Cb 0.47 -2.88 -0.05 0.00 -0.02 0.00 0.00 33.50 31.02 2k2b n PRO 71 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2k2b n LYS 72 N 7.60 0.39 0.00 -0.52 5.02 -1.26 -4.64 118.16 124.76 2k2b n LYS 72 Ca 0.48 0.17 0.12 0.00 -2.02 0.00 0.00 58.31 57.06 2k2b n LYS 72 Cb 0.42 -1.17 0.20 0.00 -0.02 0.00 0.00 35.03 34.46 2k2b n LYS 72 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2k2b n LEU 73 N -3.95 1.50 -4.67 -0.35 4.32 -1.26 -4.92 117.00 107.66 2k2b n LEU 73 Ca -0.30 -0.50 -0.42 0.00 -0.02 0.00 0.00 56.01 54.78 2k2b n LEU 73 Cb 0.65 -0.06 -0.03 0.00 -1.62 0.00 0.00 43.42 42.35 2k2b n LEU 73 CO 0.06 0.28 0.76 -0.22 -1.22 0.00 0.00 177.39 177.04 2k2b s LEU 74 N -2.48 4.19 0.38 2.23 2.96 -1.26 -4.08 118.68 120.62 2k2b s LEU 74 Ca 0.22 1.37 -0.27 0.00 -0.22 0.00 0.00 54.13 55.23 2k2b s LEU 74 Cb 0.19 -3.44 -0.11 0.00 0.50 0.00 0.00 46.19 43.33 2k2b s LEU 74 CO 0.54 -0.48 1.24 -2.65 -1.32 0.00 0.00 176.35 173.67 2k2b n PRO 75 N 5.40 1.92 -2.09 0.98 -0.02 -1.26 -4.85 135.00 135.09 2k2b n PRO 75 Ca 0.08 0.68 -0.35 0.00 -2.02 0.00 0.00 63.50 61.89 2k2b n PRO 75 Cb 0.48 -2.29 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 2k2b n PRO 75 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2k2b s TYR 76 N -1.15 1.77 -0.28 6.00 2.02 -1.26 -4.91 117.35 119.53 2k2b s TYR 76 Ca 0.59 0.64 0.02 0.00 -0.37 0.00 0.00 57.07 57.95 2k2b s TYR 76 Cb -0.55 -4.12 0.07 0.00 -0.40 0.00 0.00 41.96 36.95 2k2b s TYR 76 CO 0.60 -2.10 -0.06 -0.51 -1.57 0.00 0.00 175.55 171.90 2k2b s ASP 77 N 7.74 4.59 0.17 2.29 1.01 -1.26 -5.05 116.67 126.16 2k2b s ASP 77 Ca 0.66 -1.51 -0.15 0.00 0.71 0.00 0.00 52.55 52.26 2k2b s ASP 77 Cb -0.10 -1.59 0.05 0.00 1.01 0.00 0.00 42.92 42.29 2k2b s ASP 77 CO 0.12 -0.24 1.82 0.11 0.21 0.00 0.00 175.17 177.20 2k2b h LYS 78 N 7.79 0.58 -0.74 8.23 1.57 -1.98 0.19 116.57 132.21 2k2b h LYS 78 Ca -0.17 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.58 2k2b h LYS 78 Cb 1.04 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.18 2k2b h LYS 78 CO 0.49 0.39 0.49 0.00 -0.57 0.00 0.00 179.45 180.24 2k2b h ARG 79 N 0.60 0.97 0.22 3.15 2.47 -1.99 0.18 114.38 119.99 2k2b h ARG 79 Ca 0.18 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.83 2k2b h ARG 79 Cb -0.04 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.06 2k2b h ARG 79 CO -0.06 0.64 -0.11 -0.07 0.56 0.00 0.00 179.97 180.94 2k2b h LEU 80 N 1.00 -0.25 -0.93 3.04 -0.00 -1.84 -2.65 115.31 113.68 2k2b h LEU 80 Ca 0.27 -0.26 0.11 0.00 -0.00 0.00 0.00 57.88 58.00 2k2b h LEU 80 Cb -0.12 0.06 -0.08 0.00 -0.00 0.00 0.00 40.66 40.53 2k2b h LEU 80 CO -0.06 0.17 0.57 0.00 -0.00 0.00 0.00 178.44 179.12 2k2b h ALA 81 N -0.11 1.37 -0.02 1.53 0.00 -0.60 -0.19 119.26 121.23 2k2b h ALA 81 Ca -0.03 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2k2b h ALA 81 Cb 0.50 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2k2b h ALA 81 CO 0.05 0.18 -0.03 2.35 0.00 0.00 0.00 179.25 181.81 2k2b h TRP 82 N 0.92 -0.06 -0.13 0.00 2.91 -0.97 0.37 115.95 118.99 2k2b h TRP 82 Ca 0.45 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.46 2k2b h TRP 82 Cb 0.43 0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.10 2k2b h TRP 82 CO -0.03 -0.04 0.01 0.45 -1.03 0.00 0.00 178.44 177.80 2k2b h HIS 83 N -0.04 0.23 -0.35 2.65 3.86 -1.03 0.12 115.15 120.60 2k2b h HIS 83 Ca 0.02 -0.04 0.04 0.00 -1.16 0.00 0.00 60.37 59.23 2k2b h HIS 83 Cb 0.06 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 2k2b h HIS 83 CO -0.11 0.43 0.24 0.74 0.86 0.00 0.00 177.93 180.09 2k2b h PHE 84 N -0.03 0.30 -0.21 2.45 0.04 -1.01 0.10 116.94 118.58 2k2b h PHE 84 Ca 0.04 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 2k2b h PHE 84 Cb 0.33 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 2k2b h PHE 84 CO 0.03 0.17 0.03 -0.22 -0.60 0.00 0.00 178.31 177.72 2k2b h LYS 85 N 0.31 0.35 -0.05 1.51 3.64 -0.57 -1.09 116.57 120.66 2k2b h LYS 85 Ca 0.15 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 2k2b h LYS 85 Cb 0.21 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 2k2b h LYS 85 CO -0.03 0.50 -0.17 1.49 -2.27 0.00 0.00 179.45 178.97 2k2b h GLU 86 N 0.14 -0.25 0.02 1.90 4.81 0.16 0.13 114.58 121.50 2k2b h GLU 86 Ca 0.06 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2k2b h GLU 86 Cb 0.33 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2k2b h GLU 86 CO 0.00 -0.17 -0.01 0.74 -0.73 0.00 0.00 179.01 178.85 2k2b h PHE 87 N -0.26 -0.03 0.00 0.92 -1.00 -1.16 -3.39 116.94 112.03 2k2b h PHE 87 Ca 0.07 -0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.75 2k2b h PHE 87 Cb 0.36 0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 2k2b h PHE 87 CO -0.25 0.67 -0.74 0.00 -1.61 0.00 0.00 178.31 176.38 2k2b n TYR 89 N -4.55 0.72 -3.16 0.00 9.36 0.46 -4.80 117.16 115.19 2k2b n TYR 89 Ca -0.18 -1.55 -0.40 0.00 3.32 0.00 0.00 57.90 59.09 2k2b n TYR 89 Cb 0.45 -1.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.10 2k2b n TYR 89 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2k2b s LYS 90 N -0.62 4.23 -0.06 2.98 2.47 -1.19 -4.79 119.74 122.76 2k2b s LYS 90 Ca 0.33 0.57 -0.13 0.00 -1.56 0.00 0.00 55.97 55.17 2k2b s LYS 90 Cb 0.20 -3.56 -0.09 0.00 -1.46 0.00 0.00 37.83 32.93 2k2b s LYS 90 CO -0.04 -0.18 0.52 0.00 0.16 0.00 0.00 175.35 175.82 2k2b h THR 91 N 5.12 0.27 -1.76 3.43 1.03 -1.92 -3.41 112.91 115.66 2k2b h THR 91 Ca -0.33 -0.90 -0.50 0.00 -0.01 0.00 0.00 66.41 64.67 2k2b h THR 91 Cb 1.15 0.46 -0.07 0.00 -1.07 0.00 0.00 68.15 68.63 2k2b h THR 91 CO 0.76 0.07 1.18 -0.44 -0.01 0.00 0.00 175.52 177.09 2k2b s SER 92 N -5.27 5.83 0.37 0.00 0.01 -1.26 -4.99 113.70 108.40 2k2b s SER 92 Ca -0.07 -0.47 -0.19 0.00 1.31 0.00 0.00 55.95 56.53 2k2b s SER 92 Cb 0.00 -2.55 -0.10 0.00 0.21 0.00 0.00 66.02 63.58 2k2b s SER 92 CO 0.25 -2.06 0.86 0.00 0.41 0.00 0.00 173.24 172.70 2k2b s ALA 93 N 7.15 3.17 -0.44 1.44 0.00 -1.26 -4.54 121.76 127.28 2k2b s ALA 93 Ca 0.51 0.27 -0.13 0.00 0.00 0.00 0.00 51.96 52.61 2k2b s ALA 93 Cb -0.07 -3.00 0.02 0.00 0.00 0.00 0.00 23.12 20.07 2k2b s ALA 93 CO 0.09 0.22 0.58 0.72 0.00 0.00 0.00 175.76 177.37 2k2b n HIS 94 N -0.38 -3.24 0.00 0.00 8.25 0.15 -4.92 115.22 115.07 2k2b n HIS 94 Ca 0.05 1.30 0.00 0.00 -0.26 0.00 0.00 57.72 58.81 2k2b n HIS 94 Cb 0.53 -3.95 0.00 0.00 1.12 0.00 0.00 29.99 27.69 2k2b n HIS 94 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k2b n GLY 95 N -0.48 1.86 2.53 -1.41 0.00 0.17 -4.90 105.19 102.96 2k2b n GLY 95 Ca 0.10 -2.14 -0.04 0.00 0.00 0.00 0.00 46.02 43.94 2k2b n GLY 95 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k2b n ILE 96 N -0.22-12.88 -1.74 -0.61 5.41 -1.26 -4.68 119.36 103.38 2k2b n ILE 96 Ca 0.00 2.88 -0.03 0.00 1.00 0.00 0.00 62.75 66.61 2k2b n ILE 96 Cb 0.00 -6.32 0.02 0.00 -0.71 0.00 0.00 39.64 32.63 2k2b n ILE 96 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2k2b n PRO 97 N 1.79 0.24 0.04 0.38 -0.04 -1.26 -4.93 135.00 131.22 2k2b n PRO 97 Ca -0.28 -0.24 0.00 0.00 -0.04 0.00 0.00 63.50 62.94 2k2b n PRO 97 Cb 0.43 -0.10 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 2k2b n PRO 97 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2k2b n MET 98 N -1.23 0.00 -0.09 0.54 1.56 -1.26 -4.98 117.12 111.66 2k2b n MET 98 Ca 0.02 0.00 -0.14 0.00 -0.27 0.00 0.00 57.70 57.31 2k2b n MET 98 Cb 0.06 -0.19 -0.06 0.00 2.15 0.00 0.00 33.22 35.17 2k2b n MET 98 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 2k2b n ILE 99 N -3.05 1.48 0.00 1.12 5.41 -1.26 -5.02 119.36 118.04 2k2b n ILE 99 Ca 0.00 0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.80 2k2b n ILE 99 Cb 0.00 -2.21 0.00 0.00 -0.71 0.00 0.00 39.64 36.72 2k2b n ILE 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2k2b n GLY 100 N 1.49 0.77 3.38 7.39 0.00 -1.23 -5.09 105.19 111.90 2k2b n GLY 100 Ca -0.22 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 2k2b n GLY 100 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k2b s GLU 101 N 2.60 1.54 -0.32 1.61 2.02 -0.85 -4.78 118.70 120.52 2k2b s GLU 101 Ca 0.00 -1.85 0.00 0.00 0.02 0.00 0.00 54.97 53.15 2k2b s GLU 101 Cb 0.00 -0.50 0.10 0.00 0.10 0.00 0.00 34.13 33.83 2k2b s GLU 101 CO 0.00 -0.27 0.09 0.00 0.02 0.00 0.00 175.26 175.10 2k2b s ALA 102 N -3.55 1.86 0.03 5.21 0.00 -1.26 -4.05 121.76 120.01 2k2b s ALA 102 Ca 0.37 -1.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.14 2k2b s ALA 102 Cb 0.08 -1.71 -0.07 0.00 0.00 0.00 0.00 23.12 21.42 2k2b s ALA 102 CO 0.15 -1.67 1.53 -2.14 0.00 0.00 0.00 175.76 173.63 2k2b s PRO 103 N 1.44 4.24 -0.70 0.00 0.02 -1.26 -4.85 135.00 133.89 2k2b s PRO 103 Ca 0.10 2.16 -0.07 0.00 0.02 0.00 0.00 61.00 63.21 2k2b s PRO 103 Cb -0.18 -3.59 -0.13 0.00 0.02 0.00 0.00 34.50 30.62 2k2b s PRO 103 CO -0.21 -0.66 3.18 1.28 -0.33 0.00 0.00 177.00 180.26 2k2b n LEU 104 N 5.51 6.80 -4.69 -5.54 4.77 -1.26 -4.20 117.00 118.38 2k2b n LEU 104 Ca 0.15 -3.84 -0.42 0.00 -0.03 0.00 0.00 56.01 51.86 2k2b n LEU 104 Cb 0.42 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.05 2k2b n LEU 104 CO 0.61 1.86 0.91 -0.70 -1.33 0.00 0.00 177.39 178.74 2k2b s GLU 105 N 0.78 4.38 -0.13 3.23 2.56 -1.26 -4.71 118.70 123.54 2k2b s GLU 105 Ca 0.66 1.64 -0.25 0.00 0.00 0.00 0.00 54.97 57.01 2k2b s GLU 105 Cb 0.27 -3.52 -0.02 0.00 2.00 0.00 0.00 34.13 32.86 2k2b s GLU 105 CO -0.06 -0.39 0.82 -3.38 -0.56 0.00 0.00 175.26 171.69 2k2b s HIS 106 N 1.98 3.48 -0.17 5.30 -3.43 -1.26 -3.75 115.29 117.43 2k2b s HIS 106 Ca 0.55 1.30 -0.04 0.00 -0.80 0.00 0.00 55.06 56.07 2k2b s HIS 106 Cb -0.24 -2.98 0.07 0.00 -1.43 0.00 0.00 32.58 28.00 2k2b s HIS 106 CO 0.23 -0.15 0.16 -1.58 -2.00 0.00 0.00 174.74 171.40 2k2b s HIS 107 N 1.75 -0.08 -0.61 0.38 2.46 -1.26 -5.10 115.29 112.83 2k2b s HIS 107 Ca 0.40 0.06 -0.13 0.00 0.47 0.00 0.00 55.06 55.85 2k2b s HIS 107 Cb -0.17 -0.48 0.16 0.00 -0.13 0.00 0.00 32.58 31.95 2k2b s HIS 107 CO 0.15 -0.52 0.55 -3.38 -2.47 0.00 0.00 174.74 169.07 2k2b s HIS 108 N 2.25 3.44 0.14 3.88 -3.43 -1.26 -4.74 115.29 115.57 2k2b s HIS 108 Ca 0.05 -1.67 -0.12 0.00 -0.80 0.00 0.00 55.06 52.51 2k2b s HIS 108 Cb -0.15 -3.72 -0.01 0.00 -1.43 0.00 0.00 32.58 27.26 2k2b s HIS 108 CO -0.10 -1.00 1.53 1.25 -2.00 0.00 0.00 174.74 174.42 2k2b h HIS 109 N 8.39 1.03 -2.02 0.38 2.76 -1.99 -3.46 115.15 120.24 2k2b h HIS 109 Ca -0.15 -0.25 -0.06 0.00 -2.20 0.00 0.00 60.37 57.71 2k2b h HIS 109 Cb 1.07 -0.24 -0.19 0.00 1.55 0.00 0.00 27.41 29.60 2k2b h HIS 109 CO 0.80 1.03 0.17 -1.58 -1.30 0.00 0.00 177.93 177.06 2k2b s HIS 110 N -4.68 -0.67 -2.00 5.26 2.46 -1.26 -5.07 115.29 109.33 2k2b s HIS 110 Ca -0.12 1.22 0.32 0.00 0.47 0.00 0.00 55.06 56.95 2k2b s HIS 110 Cb 0.11 0.38 1.90 0.00 -0.13 0.00 0.00 32.58 34.84 2k2b s HIS 110 CO 0.85 -0.57 2.22 0.72 -2.47 0.00 0.00 174.74 175.48