#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2b n SER 2 N 0.00 0.00 -0.30 7.83 7.64 -1.26 -3.48 113.62 124.04 2k2b n SER 2 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.02 2k2b n SER 2 Cb 0.00 0.00 0.31 0.00 -1.01 0.00 0.00 64.21 63.51 2k2b n SER 2 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 2k2b h TRP 3 N 0.00 0.50 -0.74 1.43 4.06 -2.03 -1.64 115.95 117.53 2k2b h TRP 3 Ca 0.00 0.05 0.13 0.00 2.06 0.00 0.00 58.89 61.12 2k2b h TRP 3 Cb 0.00 -0.08 -0.13 0.00 -1.00 0.00 0.00 29.16 27.95 2k2b h TRP 3 CO 0.00 -0.15 -0.33 0.00 -3.56 0.00 0.00 178.44 174.40 2k2b h MET 4 N 0.28 -0.09 -0.03 0.49 -0.00 -1.95 0.13 114.93 113.76 2k2b h MET 4 Ca 0.57 0.01 -0.23 0.00 -0.00 0.00 0.00 59.70 60.05 2k2b h MET 4 Cb 1.14 0.02 0.01 0.00 -0.00 0.00 0.00 31.60 32.77 2k2b h MET 4 CO -0.60 -0.06 -0.91 -0.56 -0.00 0.00 0.00 176.91 174.77 2k2b h GLN 5 N -0.09 0.52 -0.31 -0.10 3.07 -1.64 -2.08 115.11 114.48 2k2b h GLN 5 Ca 0.29 -0.52 0.03 0.00 0.09 0.00 0.00 58.65 58.54 2k2b h GLN 5 Cb 0.57 0.14 -0.03 0.00 0.08 0.00 0.00 27.48 28.24 2k2b h GLN 5 CO -0.79 1.16 0.11 -0.97 0.09 0.00 0.00 178.83 178.43 2k2b h ASN 6 N 0.31 0.13 1.14 0.06 -0.73 -0.84 -1.96 115.58 113.70 2k2b h ASN 6 Ca -0.08 0.03 -0.18 0.00 1.87 0.00 0.00 56.30 57.94 2k2b h ASN 6 Cb 1.54 0.01 -0.03 0.00 0.27 0.00 0.00 38.32 40.12 2k2b h ASN 6 CO 0.17 0.11 -0.85 -0.07 -0.37 0.00 0.00 177.43 176.42 2k2b h LEU 7 N 0.26 0.00 -2.18 0.34 -0.00 -1.11 -3.25 115.31 109.37 2k2b h LEU 7 Ca 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.02 2k2b h LEU 7 Cb 0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.76 2k2b h LEU 7 CO -0.13 0.85 -0.01 0.50 -0.00 0.00 0.00 178.44 179.65 2k2b h LYS 8 N 0.00 0.00 -0.92 1.13 3.11 -0.85 -3.08 116.57 115.96 2k2b h LYS 8 Ca -0.01 0.00 0.22 0.00 -2.81 0.00 0.00 60.65 58.05 2k2b h LYS 8 Cb 1.66 0.00 -0.17 0.00 -1.00 0.00 0.00 32.23 32.72 2k2b h LYS 8 CO 0.11 0.01 -0.05 -0.97 -2.81 0.00 0.00 179.45 175.74 2k2b h ASN 9 N 0.00 -0.56 -3.67 4.20 -0.73 -1.40 -3.36 115.58 110.05 2k2b h ASN 9 Ca -0.00 0.26 -0.69 0.00 1.87 0.00 0.00 56.30 57.75 2k2b h ASN 9 Cb 0.02 0.48 -0.19 0.00 0.27 0.00 0.00 38.32 38.90 2k2b h ASN 9 CO 0.00 -0.30 -0.46 -0.31 -0.37 0.00 0.00 177.43 175.99 2k2b s TYR 10 N -6.11 3.23 -0.13 0.67 2.02 -1.17 -4.44 117.35 111.43 2k2b s TYR 10 Ca -0.14 -0.29 0.22 0.00 -0.37 0.00 0.00 57.07 56.50 2k2b s TYR 10 Cb 0.27 -2.51 -0.18 0.00 -0.40 0.00 0.00 41.96 39.14 2k2b s TYR 10 CO 0.77 -0.41 0.73 0.94 -1.57 0.00 0.00 175.55 176.01 2k2b n GLN 11 N 5.12 0.64 -1.71 -0.62 7.27 -1.26 -4.76 117.38 122.06 2k2b n GLN 11 Ca -0.12 -0.03 -0.37 0.00 0.07 0.00 0.00 57.00 56.54 2k2b n GLN 11 Cb 0.49 -1.67 -0.03 0.00 2.41 0.00 0.00 30.24 31.44 2k2b n GLN 11 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 2k2b s HIS 12 N -3.39 1.26 -0.22 3.69 3.76 -1.26 -3.84 115.29 115.29 2k2b s HIS 12 Ca -0.05 1.28 -0.06 0.00 -0.15 0.00 0.00 55.06 56.09 2k2b s HIS 12 Cb 0.12 -3.75 0.02 0.00 1.11 0.00 0.00 32.58 30.07 2k2b s HIS 12 CO 0.85 -2.54 0.11 1.28 -0.85 0.00 0.00 174.74 173.59 2k2b n LEU 13 N 14.73 -6.42 -3.91 0.89 4.77 -1.26 -5.09 117.00 120.70 2k2b n LEU 13 Ca 0.31 1.64 -0.11 0.00 -0.03 0.00 0.00 56.01 57.83 2k2b n LEU 13 Cb 0.54 -3.02 -0.00 0.00 -2.33 0.00 0.00 43.42 38.60 2k2b n LEU 13 CO 0.71 -3.18 0.38 -0.60 -1.33 0.00 0.00 177.39 173.37 2k2b s ARG 14 N -1.06 2.10 0.04 3.23 6.06 -1.25 -5.10 118.95 122.97 2k2b s ARG 14 Ca -0.13 -1.54 0.02 0.00 -2.50 0.00 0.00 55.73 51.57 2k2b s ARG 14 Cb 0.01 0.56 -0.04 0.00 0.06 0.00 0.00 34.95 35.54 2k2b s ARG 14 CO 0.69 -0.95 0.08 -0.51 -2.50 0.00 0.00 175.30 172.11 2k2b s ASP 15 N -3.13 5.59 0.00 -2.12 1.01 -1.26 -5.00 116.67 111.76 2k2b s ASP 15 Ca 0.21 0.06 0.00 0.00 0.71 0.00 0.00 52.55 53.53 2k2b s ASP 15 Cb -0.03 -1.54 0.00 0.00 1.01 0.00 0.00 42.92 42.35 2k2b s ASP 15 CO 0.15 0.21 0.32 -0.81 0.21 0.00 0.00 175.17 175.25 2k2b n PRO 16 N 0.77 0.61 -0.04 8.23 -0.04 -1.26 -3.91 135.00 139.36 2k2b n PRO 16 Ca -0.10 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.26 2k2b n PRO 16 Cb 0.52 -1.29 -0.08 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.37 -0.03 0.48 3.54 0.02 -1.98 -2.21 113.55 113.73 2k2b h SER 17 Ca 0.00 -0.59 -0.01 0.00 -0.84 0.00 0.00 61.79 60.35 2k2b h SER 17 Cb 0.29 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 2k2b h SER 17 CO 0.00 0.74 -0.06 -0.33 -1.14 0.00 0.00 176.83 176.04 2k2b h GLU 18 N -0.97 0.00 0.05 3.45 3.07 -1.86 0.26 114.58 118.58 2k2b h GLU 18 Ca -0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.78 2k2b h GLU 18 Cb 0.62 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.53 2k2b h GLU 18 CO 0.01 0.06 -0.31 1.88 -1.40 0.00 0.00 179.01 179.25 2k2b h TYR 19 N 0.00 0.22 -0.01 4.33 -1.99 -1.79 0.49 116.97 118.21 2k2b h TYR 19 Ca -0.00 -0.15 0.00 0.00 2.00 0.00 0.00 58.73 60.58 2k2b h TYR 19 Cb 0.32 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 39.03 2k2b h TYR 19 CO 0.00 1.09 0.01 1.98 -0.00 0.00 0.00 178.16 181.24 2k2b h MET 20 N -0.71 0.00 0.00 4.88 4.05 -1.09 -0.30 114.93 121.75 2k2b h MET 20 Ca -0.05 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.29 2k2b h MET 20 Cb 1.21 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.00 2k2b h MET 20 CO 0.06 0.00 -0.92 0.77 0.23 0.00 0.00 176.91 177.05 2k2b h SER 21 N 0.00 0.00 0.72 1.39 0.02 -0.91 -3.41 113.55 111.36 2k2b h SER 21 Ca 0.01 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 2k2b h SER 21 Cb 0.03 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.58 2k2b h SER 21 CO -0.00 0.28 -0.35 -0.61 -1.14 0.00 0.00 176.83 175.02 2k2b h GLN 22 N 0.00 -0.93 -3.70 3.45 -0.00 0.18 -3.45 115.11 110.66 2k2b h GLN 22 Ca -0.06 0.06 -0.35 0.00 -0.00 0.00 0.00 58.65 58.31 2k2b h GLN 22 Cb 1.27 0.21 -0.34 0.00 0.00 0.00 0.00 27.48 28.62 2k2b h GLN 22 CO 0.03 -0.62 -0.75 0.54 0.00 0.00 0.00 178.83 178.03 2k2b s VAL 23 N -4.70 0.16 0.03 2.39 0.11 -1.08 -4.58 120.40 112.72 2k2b s VAL 23 Ca -0.14 0.10 -0.19 0.00 -2.93 0.00 0.00 61.98 58.82 2k2b s VAL 23 Cb 0.01 -0.27 -0.06 0.00 -1.53 0.00 0.00 36.38 34.54 2k2b s VAL 23 CO 0.42 0.15 0.56 -0.47 -3.33 0.00 0.00 175.10 172.43 2k2b s TYR 24 N 1.08 3.74 0.00 1.54 6.14 -0.85 -4.77 117.35 124.24 2k2b s TYR 24 Ca -0.09 1.20 0.00 0.00 0.64 0.00 0.00 57.07 58.82 2k2b s TYR 24 Cb -0.13 -2.52 0.00 0.00 0.42 0.00 0.00 41.96 39.73 2k2b s TYR 24 CO -0.02 0.49 0.00 0.41 0.64 0.00 0.00 175.55 177.07 2k2b n GLY 25 N 2.06 1.00 3.81 8.97 0.00 -1.26 -0.26 105.19 119.51 2k2b n GLY 25 Ca -0.09 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 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 6.81 0.48 1.61 1.01 -1.11 -4.90 116.67 122.57 2k2b s ASP 26 Ca 0.00 1.80 0.36 0.00 0.71 0.00 0.00 52.55 55.42 2k2b s ASP 26 Cb 0.00 -2.55 1.51 0.00 1.01 0.00 0.00 42.92 42.89 2k2b s ASP 26 CO 0.00 -0.45 1.64 -0.65 0.21 0.00 0.00 175.17 175.92 2k2b h PRO 27 N 1.99 0.06 -0.78 8.23 0.11 -1.94 0.11 132.00 139.79 2k2b h PRO 27 Ca -0.49 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2k2b h PRO 27 Cb 1.19 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 2k2b h PRO 27 CO 0.61 0.04 0.45 -0.07 -0.21 0.00 0.00 178.00 178.82 2k2b h LEU 28 N 0.06 0.94 0.12 2.35 -0.00 -1.92 -2.48 115.31 114.40 2k2b h LEU 28 Ca 0.81 -0.06 0.02 0.00 -0.00 0.00 0.00 57.88 58.65 2k2b h LEU 28 Cb 2.82 -0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 43.20 2k2b h LEU 28 CO -0.25 0.74 -0.35 0.00 -0.00 0.00 0.00 178.44 178.58 2k2b h ALA 29 N 1.42 -0.61 -0.09 1.53 0.00 -0.87 0.29 119.26 120.92 2k2b h ALA 29 Ca 0.28 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2k2b h ALA 29 Cb -0.01 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2k2b h ALA 29 CO -0.05 -0.91 0.02 1.88 0.00 0.00 0.00 179.25 180.19 2k2b h TYR 30 N -0.59 0.03 -0.91 0.00 0.05 -1.69 -2.54 116.97 111.33 2k2b h TYR 30 Ca 0.03 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.85 2k2b h TYR 30 Cb 0.62 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.30 2k2b h TYR 30 CO -0.31 0.01 0.60 1.25 -1.05 0.00 0.00 178.16 178.66 2k2b h LEU 31 N 0.06 0.98 -0.20 3.88 5.85 -1.12 -2.45 115.31 122.31 2k2b h LEU 31 Ca 0.04 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 2k2b h LEU 31 Cb 0.04 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 2k2b h LEU 31 CO -0.06 0.67 -0.35 1.56 -0.34 0.00 0.00 178.44 179.93 2k2b h GLN 32 N 1.14 0.60 -0.68 1.25 1.08 -0.22 0.14 115.11 118.42 2k2b h GLN 32 Ca 0.36 -0.37 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 2k2b h GLN 32 Cb 0.02 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.46 2k2b h GLN 32 CO -0.11 0.98 0.33 1.49 -0.95 0.00 0.00 178.83 180.57 2k2b h GLU 33 N 0.28 0.98 -0.00 1.46 4.81 -1.27 0.64 114.58 121.48 2k2b h GLU 33 Ca 0.01 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 2k2b h GLU 33 Cb 0.94 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.14 2k2b h GLU 33 CO 0.08 0.78 -0.14 1.79 -0.73 0.00 0.00 179.01 180.78 2k2b h THR 34 N 0.95 1.58 0.00 0.32 1.35 -1.44 -3.34 112.91 112.32 2k2b h THR 34 Ca 0.24 -1.90 -0.14 0.00 -0.55 0.00 0.00 66.41 64.06 2k2b h THR 34 Cb 0.11 2.81 -0.02 0.00 -1.73 0.00 0.00 68.15 69.32 2k2b h THR 34 CO -0.03 0.51 -0.92 0.74 -0.25 0.00 0.00 175.52 175.57 2k2b h THR 35 N -0.62 0.62 -0.12 6.82 2.02 -0.75 -3.41 112.91 117.47 2k2b h THR 35 Ca -0.02 -1.76 -0.03 0.00 0.77 0.00 0.00 66.41 65.38 2k2b h THR 35 Cb 0.91 1.46 -0.00 0.00 -1.74 0.00 0.00 68.15 68.78 2k2b h THR 35 CO 0.03 0.21 -0.03 0.50 0.37 0.00 0.00 175.52 176.60 2k2b h LYS 36 N -1.00 0.23 -4.83 6.66 1.63 -0.97 -3.49 116.57 114.80 2k2b h LYS 36 Ca -0.21 -0.09 -0.10 0.00 -0.85 0.00 0.00 60.65 59.40 2k2b h LYS 36 Cb 0.99 -0.01 0.08 0.00 -0.60 0.00 0.00 32.23 32.68 2k2b h LYS 36 CO -0.13 0.53 -0.34 0.34 -3.45 0.00 0.00 179.45 176.41 2k2b n PHE 37 N -4.74 -2.07 0.00 1.91 7.35 -0.75 -4.41 117.46 114.75 2k2b n PHE 37 Ca -0.06 0.76 0.00 0.00 -0.76 0.00 0.00 57.45 57.38 2k2b n PHE 37 Cb 0.25 -3.62 0.00 0.00 0.35 0.00 0.00 39.48 36.46 2k2b n PHE 37 CO 0.00 0.00 0.00 1.55 -0.76 0.00 0.00 176.76 177.55 2k2b n VAL 38 N -2.23 0.00 0.70 -2.13 3.14 -1.26 -4.69 118.33 111.86 2k2b n VAL 38 Ca -0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 2k2b n VAL 38 Cb 0.55 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.33 2k2b n VAL 38 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 2k2b n THR 39 N 0.00 0.69 -3.96 1.55 5.66 -1.26 -4.72 114.28 112.24 2k2b n THR 39 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 2k2b n THR 39 Cb 0.00 -0.84 -0.13 0.00 -1.55 0.00 0.00 70.33 67.80 2k2b n THR 39 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2k2b s GLU 40 N 0.29 0.18 0.48 1.09 2.02 -1.26 -5.02 118.70 116.47 2k2b s GLU 40 Ca 0.00 -0.19 0.16 0.00 0.02 0.00 0.00 54.97 54.95 2k2b s GLU 40 Cb 0.00 -0.08 1.12 0.00 0.10 0.00 0.00 34.13 35.27 2k2b s GLU 40 CO 0.00 0.02 2.05 0.07 0.02 0.00 0.00 175.26 177.42 2k2b h ARG 41 N 5.75 0.00 0.00 1.61 -0.00 -2.00 0.64 114.38 120.39 2k2b h ARG 41 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.71 2k2b h ARG 41 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.18 2k2b h ARG 41 CO 0.48 0.11 0.00 0.39 -0.00 0.00 0.00 179.97 180.96 2k2b n GLU 42 N -4.38 0.42 -0.11 0.08 1.02 -1.26 -0.74 120.64 115.67 2k2b n GLU 42 Ca -0.03 0.04 -0.19 0.00 -0.02 0.00 0.00 57.16 56.96 2k2b n GLU 42 Cb 0.19 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.04 2k2b n GLU 42 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2k2b n TYR 43 N -1.07 0.07 -0.04 -0.32 4.19 0.20 -4.45 117.16 115.74 2k2b n TYR 43 Ca 0.11 0.03 -0.12 0.00 3.31 0.00 0.00 57.90 61.23 2k2b n TYR 43 Cb 0.07 -0.75 -0.14 0.00 0.49 0.00 0.00 39.34 39.00 2k2b n TYR 43 CO 0.00 0.00 0.00 2.48 0.91 0.00 0.00 176.86 180.25 2k2b n TYR 44 N -4.37 0.81 -0.02 2.98 0.18 -1.10 -3.45 117.16 112.19 2k2b n TYR 44 Ca -0.33 0.26 -0.13 0.00 1.88 0.00 0.00 57.90 59.58 2k2b n TYR 44 Cb 0.68 -1.14 -0.01 0.00 -0.38 0.00 0.00 39.34 38.49 2k2b n TYR 44 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 2k2b h GLU 45 N 0.01 0.70 0.00 -3.48 4.81 -1.19 -3.44 114.58 111.99 2k2b h GLU 45 Ca -0.38 -0.49 -0.10 0.00 -0.13 0.00 0.00 59.36 58.26 2k2b h GLU 45 Cb 2.05 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 31.49 2k2b h GLU 45 CO 0.06 1.11 0.05 -3.47 -0.73 0.00 0.00 179.01 176.03 2k2b n ASP 46 N -3.95 -1.29 0.00 1.04 -0.08 -1.23 -5.01 116.55 106.03 2k2b n ASP 46 Ca -0.05 -2.21 0.00 0.00 -1.51 0.00 0.00 54.79 51.03 2k2b n ASP 46 Cb 0.66 2.23 0.00 0.00 2.34 0.00 0.00 41.12 46.35 2k2b n ASP 46 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2k2b n PHE 47 N -0.39 0.00 -1.37 -0.67 3.72 -1.26 -4.12 117.46 113.37 2k2b n PHE 47 Ca -0.03 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.96 2k2b n PHE 47 Cb 0.41 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.90 2k2b n PHE 47 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k2b n GLY 48 N 0.00 2.41 3.31 1.37 0.00 -1.22 -3.81 105.19 107.24 2k2b n GLY 48 Ca 0.00 -1.20 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 2k2b n GLY 48 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k2b s TYR 49 N 5.90 2.88 -0.30 1.61 2.02 -1.26 -4.85 117.35 123.35 2k2b s TYR 49 Ca 0.59 -0.93 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 2k2b s TYR 49 Cb 0.12 -1.98 0.09 0.00 -0.40 0.00 0.00 41.96 39.78 2k2b s TYR 49 CO 0.11 -0.46 0.06 0.20 -1.57 0.00 0.00 175.55 173.90 2k2b s GLY 50 N 1.03 1.22 0.00 0.71 0.00 -1.26 -2.74 107.32 106.28 2k2b s GLY 50 Ca -0.00 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.01 2k2b s GLY 50 CO -0.01 1.39 0.00 -2.21 0.00 0.00 0.00 173.10 172.27 2k2b n GLU 51 N 4.74 0.00 0.05 2.90 2.13 0.64 -3.53 120.64 127.57 2k2b n GLU 51 Ca -0.03 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.59 2k2b n GLU 51 Cb 0.43 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.00 2k2b n GLU 51 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k2b h PHE 53 N -0.29 -0.84 -2.73 0.00 -1.00 -1.77 -2.10 116.94 108.20 2k2b h PHE 53 Ca -0.14 -0.02 -0.15 0.00 2.81 0.00 0.00 57.97 60.47 2k2b h PHE 53 Cb 1.62 0.28 0.06 0.00 3.61 0.00 0.00 35.95 41.52 2k2b h PHE 53 CO 0.18 -0.52 0.14 0.27 -1.61 0.00 0.00 178.31 176.77 2k2b n ASN 54 N -5.48 0.06 -0.07 2.17 6.94 -1.26 -3.09 115.26 114.53 2k2b n ASN 54 Ca -0.14 -1.18 -0.03 0.00 -0.02 0.00 0.00 54.58 53.22 2k2b n ASN 54 Cb 0.37 -0.34 -0.16 0.00 -2.36 0.00 0.00 39.78 37.28 2k2b n ASN 54 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 2k2b n SER 55 N -3.28 0.02 -4.56 0.53 2.88 -1.26 -4.56 113.62 103.39 2k2b n SER 55 Ca 0.06 0.01 -0.30 0.00 -1.33 0.00 0.00 58.87 57.31 2k2b n SER 55 Cb 0.20 1.32 -0.05 0.00 -0.75 0.00 0.00 64.21 64.94 2k2b n SER 55 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2k2b s THR 56 N -2.86 3.56 0.79 2.46 -4.23 -1.26 -4.97 115.64 109.14 2k2b s THR 56 Ca -0.09 -0.53 -0.11 0.00 -1.18 0.00 0.00 61.69 59.79 2k2b s THR 56 Cb 0.09 -4.27 0.07 0.00 1.34 0.00 0.00 72.50 69.73 2k2b s THR 56 CO 0.86 -1.15 1.10 -1.83 -0.54 0.00 0.00 174.62 173.06 2k2b s GLU 57 N 6.54 2.06 0.00 3.99 -1.05 -1.26 -4.62 118.70 124.36 2k2b s GLU 57 Ca 0.65 1.25 0.00 0.00 -0.15 0.00 0.00 54.97 56.72 2k2b s GLU 57 Cb -0.05 -1.87 0.00 0.00 -0.44 0.00 0.00 34.13 31.77 2k2b s GLU 57 CO -0.01 -1.81 0.00 0.45 0.95 0.00 0.00 175.26 174.85 2k2b n SER 58 N -3.60 0.00 -3.55 0.83 2.88 -1.26 -5.08 113.62 103.84 2k2b n SER 58 Ca 0.10 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.44 2k2b n SER 58 Cb 0.53 0.34 0.06 0.00 -0.75 0.00 0.00 64.21 64.39 2k2b n SER 58 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k2b n GLU 59 N -2.27 -5.14 -0.01 -1.46 4.71 -1.26 -4.93 120.64 110.28 2k2b n GLU 59 Ca 0.00 0.73 -0.01 0.00 -0.01 0.00 0.00 57.16 57.87 2k2b n GLU 59 Cb 0.00 -5.46 -0.01 0.00 -1.01 0.00 0.00 31.44 24.95 2k2b n GLU 59 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 2k2b n VAL 60 N -4.11 0.12 -3.15 2.62 0.24 -1.26 -5.01 118.33 107.78 2k2b n VAL 60 Ca -0.26 -0.07 0.05 0.00 -2.04 0.00 0.00 64.34 62.01 2k2b n VAL 60 Cb 0.67 -0.91 -0.01 0.00 -1.47 0.00 0.00 33.84 32.11 2k2b n VAL 60 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k2b s GLN 61 N -2.04 0.36 0.01 7.34 -2.07 -1.26 -4.82 119.66 117.18 2k2b s GLN 61 Ca -0.01 0.53 -0.11 0.00 -1.82 0.00 0.00 55.36 53.95 2k2b s GLN 61 Cb 0.01 0.28 0.04 0.00 -1.09 0.00 0.00 33.01 32.24 2k2b s GLN 61 CO 0.07 -0.50 0.49 0.00 -1.32 0.00 0.00 175.29 174.03 2k2b n GLU 63 N -0.35 2.61 0.00 0.00 0.00 -1.25 -2.96 120.64 118.69 2k2b n GLU 63 Ca 0.01 0.92 0.00 0.00 0.00 0.00 0.00 57.16 58.09 2k2b n GLU 63 Cb 0.24 -2.66 0.00 0.00 0.00 0.00 0.00 31.44 29.02 2k2b n GLU 63 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2k2b n LEU 64 N 1.30 0.00 0.10 4.31 0.00 -1.26 -4.71 117.00 116.73 2k2b n LEU 64 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 56.01 55.91 2k2b n LEU 64 Cb 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 43.70 2k2b n LEU 64 CO 0.64 0.00 0.51 0.40 0.00 0.00 0.00 177.39 178.94 2k2b h ILE 65 N 0.00 0.00 -0.01 1.96 1.08 -1.96 -3.23 117.51 115.35 2k2b h ILE 65 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2k2b h ILE 65 Cb 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.75 2k2b h ILE 65 CO 0.00 0.00 0.00 0.35 -0.69 0.00 0.00 178.15 177.81 2k2b n THR 66 N -5.23 0.01 0.00 -0.27 -2.24 -1.21 -4.98 114.28 100.35 2k2b n THR 66 Ca -0.08 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 2k2b n THR 66 Cb 0.38 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 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 0.51 0.42 5.13 3.38 0.00 -1.22 -4.84 105.19 108.56 2k2b n GLY 67 Ca 0.05 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.71 2k2b n GLY 67 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k2b n GLU 68 N 0.00 0.00 -2.19 1.61 -0.58 -1.26 -4.76 120.64 113.45 2k2b n GLU 68 Ca 0.00 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.42 2k2b n GLU 68 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.85 2k2b n GLU 68 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 2k2b s PHE 69 N 0.00 3.51 0.02 -0.32 -0.71 -1.26 -5.01 117.98 114.21 2k2b s PHE 69 Ca 0.00 1.40 0.03 0.00 -1.04 0.00 0.00 56.93 57.33 2k2b s PHE 69 Cb 0.00 -2.77 -0.02 0.00 -1.21 0.00 0.00 43.02 39.02 2k2b s PHE 69 CO 0.00 -0.50 -0.11 -0.51 -1.34 0.00 0.00 175.22 172.76 2k2b s ASP 70 N -3.48 1.24 0.00 1.98 1.01 -1.26 -5.03 116.67 111.14 2k2b s ASP 70 Ca 0.58 -0.36 0.00 0.00 0.71 0.00 0.00 52.55 53.47 2k2b s ASP 70 Cb -0.10 -0.08 0.00 0.00 1.01 0.00 0.00 42.92 43.75 2k2b s ASP 70 CO 0.40 0.01 0.93 -2.65 0.21 0.00 0.00 175.17 174.07 2k2b n PRO 71 N 2.17 0.00 0.14 8.23 -0.02 -1.26 -1.28 135.00 142.99 2k2b n PRO 71 Ca -0.17 0.43 0.07 0.00 -2.02 0.00 0.00 63.50 61.81 2k2b n PRO 71 Cb 0.56 -1.55 0.05 0.00 -0.02 0.00 0.00 33.50 32.54 2k2b n PRO 71 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2k2b h LYS 72 N 0.00 0.00 -0.96 -0.52 1.63 -2.04 -3.36 116.57 111.32 2k2b h LYS 72 Ca 0.00 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.73 2k2b h LYS 72 Cb 0.09 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.68 2k2b h LYS 72 CO 0.00 0.21 0.09 1.28 -3.45 0.00 0.00 179.45 177.58 2k2b n LEU 73 N -3.04 3.15 -4.10 5.20 7.99 -0.41 -4.82 117.00 120.97 2k2b n LEU 73 Ca 0.01 -1.61 -0.15 0.00 -0.01 0.00 0.00 56.01 54.25 2k2b n LEU 73 Cb 0.65 -0.57 -0.12 0.00 -0.11 0.00 0.00 43.42 43.28 2k2b n LEU 73 CO 0.39 0.51 -0.42 -1.48 -1.51 0.00 0.00 177.39 174.87 2k2b s LEU 74 N -0.73 2.27 -0.49 2.23 0.05 -1.26 -4.38 118.68 116.38 2k2b s LEU 74 Ca 0.13 -0.58 -0.27 0.00 0.05 0.00 0.00 54.13 53.46 2k2b s LEU 74 Cb 0.11 -0.28 -0.03 0.00 -2.05 0.00 0.00 46.19 43.94 2k2b s LEU 74 CO 0.03 -0.17 1.92 -2.84 -0.55 0.00 0.00 176.35 174.75 2k2b s PRO 75 N -1.68 2.81 -0.77 1.48 0.02 -1.26 -4.91 135.00 130.68 2k2b s PRO 75 Ca -0.07 1.04 -0.26 0.00 0.02 0.00 0.00 61.00 61.73 2k2b s PRO 75 Cb -0.10 -4.35 -0.01 0.00 0.02 0.00 0.00 34.50 30.06 2k2b s PRO 75 CO 0.01 -2.49 1.73 1.52 -0.33 0.00 0.00 177.00 177.44 2k2b s TYR 76 N 8.74 1.92 0.28 6.54 1.13 -1.26 -4.56 117.35 130.15 2k2b s TYR 76 Ca 0.76 0.39 0.08 0.00 -1.41 0.00 0.00 57.07 56.90 2k2b s TYR 76 Cb -0.17 -4.25 -0.04 0.00 -1.10 0.00 0.00 41.96 36.40 2k2b s TYR 76 CO 0.26 -2.06 0.10 -0.51 -2.51 0.00 0.00 175.55 170.83 2k2b s ASP 77 N 6.93 4.89 0.29 -0.18 1.01 -1.26 -4.95 116.67 123.39 2k2b s ASP 77 Ca 0.60 -0.55 0.02 0.00 0.71 0.00 0.00 52.55 53.33 2k2b s ASP 77 Cb -0.08 -0.99 0.44 0.00 1.01 0.00 0.00 42.92 43.30 2k2b s ASP 77 CO 0.10 -0.09 1.77 0.11 0.21 0.00 0.00 175.17 177.26 2k2b h LYS 78 N 1.67 0.55 0.05 8.23 6.56 -1.98 0.24 116.57 131.89 2k2b h LYS 78 Ca -0.45 -0.17 -0.23 0.00 -1.06 0.00 0.00 60.65 58.73 2k2b h LYS 78 Cb 1.25 -0.05 0.02 0.00 -0.57 0.00 0.00 32.23 32.88 2k2b h LYS 78 CO 0.61 0.68 -0.94 0.00 -2.06 0.00 0.00 179.45 177.74 2k2b h ARG 79 N 0.50 0.54 -0.18 3.15 3.08 -1.97 -2.33 114.38 117.17 2k2b h ARG 79 Ca 0.09 -0.65 -0.09 0.00 0.07 0.00 0.00 59.98 59.40 2k2b h ARG 79 Cb 0.54 0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 2k2b h ARG 79 CO 0.03 1.26 -0.25 -0.07 -1.07 0.00 0.00 179.97 179.88 2k2b h LEU 80 N 0.10 0.53 0.14 3.04 -0.00 -1.84 0.70 115.31 117.97 2k2b h LEU 80 Ca -0.13 -0.51 -0.01 0.00 -0.00 0.00 0.00 57.88 57.23 2k2b h LEU 80 Cb 1.64 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 42.15 2k2b h LEU 80 CO 0.18 0.94 -0.07 0.00 -0.00 0.00 0.00 178.44 179.49 2k2b h ALA 81 N 0.61 -0.18 -0.46 1.53 0.00 -0.65 -1.42 119.26 118.68 2k2b h ALA 81 Ca 0.02 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.98 2k2b h ALA 81 Cb 0.81 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.58 2k2b h ALA 81 CO 0.06 -0.60 -0.15 2.35 0.00 0.00 0.00 179.25 180.91 2k2b h TRP 82 N -0.19 -0.33 -0.01 0.00 7.01 -1.43 -0.42 115.95 120.58 2k2b h TRP 82 Ca -0.02 0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.03 2k2b h TRP 82 Cb 0.14 0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.41 2k2b h TRP 82 CO -0.07 -0.23 -0.08 1.25 -2.79 0.00 0.00 178.44 176.52 2k2b h HIS 83 N -0.04 -0.24 -0.04 2.65 2.76 -0.50 0.12 115.15 119.87 2k2b h HIS 83 Ca 0.22 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.29 2k2b h HIS 83 Cb 0.38 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.43 2k2b h HIS 83 CO -0.42 -0.08 -0.48 0.74 -1.30 0.00 0.00 177.93 176.38 2k2b h PHE 84 N -0.10 0.12 -0.03 5.26 0.04 -1.19 -2.63 116.94 118.42 2k2b h PHE 84 Ca 0.00 -0.04 -0.21 0.00 2.80 0.00 0.00 57.97 60.52 2k2b h PHE 84 Cb 0.11 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.23 2k2b h PHE 84 CO -0.42 0.56 -0.88 1.57 -0.60 0.00 0.00 178.31 178.55 2k2b h LYS 85 N 0.08 0.41 -0.66 1.51 2.10 -1.05 0.19 116.57 119.16 2k2b h LYS 85 Ca 0.00 -0.41 -0.00 0.00 -2.00 0.00 0.00 60.65 58.24 2k2b h LYS 85 Cb 0.88 0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 32.29 2k2b h LYS 85 CO 0.07 1.07 0.40 1.49 -2.00 0.00 0.00 179.45 180.47 2k2b h GLU 86 N 0.25 0.89 0.00 0.07 4.57 -0.39 -1.92 114.58 118.05 2k2b h GLU 86 Ca -0.06 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 2k2b h GLU 86 Cb 1.50 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 2k2b h GLU 86 CO 0.15 0.62 -0.39 1.19 -1.18 0.00 0.00 179.01 179.41 2k2b n PHE 87 N -4.40 0.57 0.02 0.92 3.01 -1.08 -4.77 117.46 111.72 2k2b n PHE 87 Ca 0.07 0.25 -0.14 0.00 1.01 0.00 0.00 57.45 58.63 2k2b n PHE 87 Cb 0.07 -0.58 -0.03 0.00 -0.01 0.00 0.00 39.48 38.93 2k2b n PHE 87 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2k2b n TYR 89 N -3.87 1.45 -3.92 0.00 9.36 -0.72 -3.87 117.16 115.60 2k2b n TYR 89 Ca -0.06 -1.92 -0.30 0.00 3.32 0.00 0.00 57.90 58.93 2k2b n TYR 89 Cb 0.75 -1.17 -0.15 0.00 -0.63 0.00 0.00 39.34 38.14 2k2b n TYR 89 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2k2b s LYS 90 N -1.58 1.32 0.39 2.98 -0.14 -1.25 -4.89 119.74 116.57 2k2b s LYS 90 Ca 0.45 -1.76 0.21 0.00 -1.36 0.00 0.00 55.97 53.51 2k2b s LYS 90 Cb 0.30 -2.84 0.58 0.00 -1.68 0.00 0.00 37.83 34.19 2k2b s LYS 90 CO -0.10 -0.99 1.68 0.00 -0.76 0.00 0.00 175.35 175.18 2k2b h THR 91 N 6.36 0.57 -2.33 2.17 1.03 -1.87 -3.40 112.91 115.43 2k2b h THR 91 Ca -0.07 -1.45 -0.57 0.00 -0.01 0.00 0.00 66.41 64.31 2k2b h THR 91 Cb 1.00 2.01 -0.01 0.00 -1.07 0.00 0.00 68.15 70.08 2k2b h THR 91 CO 0.52 0.28 1.34 -0.44 -0.01 0.00 0.00 175.52 177.21 2k2b s SER 92 N -6.27 5.88 0.59 0.00 0.01 -1.26 -4.99 113.70 107.66 2k2b s SER 92 Ca 0.02 1.86 0.00 0.00 1.31 0.00 0.00 55.95 59.15 2k2b s SER 92 Cb 0.09 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2k2b s SER 92 CO 0.67 -1.63 0.00 0.00 0.41 0.00 0.00 173.24 172.70 2k2b n ALA 93 N 10.11 0.00 -1.46 1.44 0.00 -1.26 -4.44 120.51 124.89 2k2b n ALA 93 Ca 0.25 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.52 2k2b n ALA 93 Cb 0.45 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.74 2k2b n ALA 93 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2k2b n HIS 94 N -1.27 0.36 0.00 0.00 1.44 -0.79 -3.63 115.22 111.32 2k2b n HIS 94 Ca 0.00 -0.01 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 2k2b n HIS 94 Cb 0.00 -1.18 0.00 0.00 0.12 0.00 0.00 29.99 28.93 2k2b n HIS 94 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2k2b n GLY 95 N 5.77 -0.93 3.34 -1.39 0.00 -1.26 -4.41 105.19 106.31 2k2b n GLY 95 Ca 0.53 0.52 -0.17 0.00 0.00 0.00 0.00 46.02 46.90 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 0.00 -8.42 0.86 -0.61 5.41 0.56 -4.95 119.36 112.21 2k2b n ILE 96 Ca 0.00 -1.04 0.13 0.00 1.00 0.00 0.00 62.75 62.84 2k2b n ILE 96 Cb 0.00 -5.99 0.51 0.00 -0.71 0.00 0.00 39.64 33.45 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 -3.19 0.10 -3.72 0.38 -0.04 -1.24 -4.82 135.00 122.47 2k2b n PRO 97 Ca -0.07 0.08 -0.23 0.00 -0.04 0.00 0.00 63.50 63.24 2k2b n PRO 97 Cb 0.60 -1.61 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 2k2b n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2b s MET 98 N -3.04 2.38 0.53 0.54 0.23 -1.26 -4.88 119.30 113.80 2k2b s MET 98 Ca 0.12 -1.75 0.30 0.00 -1.03 0.00 0.00 55.69 53.34 2k2b s MET 98 Cb 0.16 -2.24 1.43 0.00 -1.53 0.00 0.00 34.83 32.66 2k2b s MET 98 CO 0.57 -0.36 2.03 0.82 -2.03 0.00 0.00 175.02 176.05 2k2b h ILE 99 N 0.94 0.35 -3.17 3.16 1.08 -1.91 -3.44 117.51 114.53 2k2b h ILE 99 Ca -0.39 -0.60 -0.46 0.00 -0.39 0.00 0.00 64.86 63.02 2k2b h ILE 99 Cb 1.28 1.44 0.13 0.00 -3.07 0.00 0.00 36.82 36.60 2k2b h ILE 99 CO 0.58 0.10 0.29 -0.83 -0.69 0.00 0.00 178.15 177.60 2k2b s GLY 100 N -4.21 1.77 -0.37 5.37 0.00 -1.26 -5.04 107.32 103.58 2k2b s GLY 100 Ca -0.01 -1.46 -0.22 0.00 0.00 0.00 0.00 44.72 43.03 2k2b s GLY 100 CO 0.56 -0.77 0.71 -0.54 0.00 0.00 0.00 173.10 173.07 2k2b s GLU 101 N -5.57 3.66 -0.01 2.90 8.01 -1.26 -4.75 118.70 121.67 2k2b s GLU 101 Ca 0.71 0.12 0.04 0.00 0.01 0.00 0.00 54.97 55.85 2k2b s GLU 101 Cb -0.04 -3.83 -0.01 0.00 -4.31 0.00 0.00 34.13 25.94 2k2b s GLU 101 CO 0.49 -0.84 -0.14 0.00 0.01 0.00 0.00 175.26 174.79 2k2b s ALA 102 N 2.94 1.15 1.06 5.21 0.00 -1.26 -5.01 121.76 125.85 2k2b s ALA 102 Ca 0.28 -0.58 -0.16 0.00 0.00 0.00 0.00 51.96 51.50 2k2b s ALA 102 Cb -0.14 -0.31 0.22 0.00 0.00 0.00 0.00 23.12 22.89 2k2b s ALA 102 CO 0.17 0.27 1.16 -0.35 0.00 0.00 0.00 175.76 177.01 2k2b n PRO 103 N 2.83 -1.63 -1.31 0.00 -0.04 -1.26 -0.32 135.00 133.27 2k2b n PRO 103 Ca -0.15 -1.81 -0.27 0.00 -0.04 0.00 0.00 63.50 61.24 2k2b n PRO 103 Cb 0.55 -1.31 0.20 0.00 -0.04 0.00 0.00 33.50 32.90 2k2b n PRO 103 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2k2b n LEU 104 N 0.00 0.00 -4.52 1.53 4.77 -1.26 -4.02 117.00 113.50 2k2b n LEU 104 Ca 0.15 -1.17 -0.42 0.00 -0.03 0.00 0.00 56.01 54.54 2k2b n LEU 104 Cb 0.53 -0.90 -0.09 0.00 -2.33 0.00 0.00 43.42 40.63 2k2b n LEU 104 CO 0.38 -1.70 0.08 -1.83 -1.33 0.00 0.00 177.39 172.99 2k2b s GLU 105 N -5.41 3.35 -1.20 3.23 -1.05 -1.26 -4.92 118.70 111.44 2k2b s GLU 105 Ca 0.65 -0.55 -0.20 0.00 -0.15 0.00 0.00 54.97 54.72 2k2b s GLU 105 Cb -0.04 -3.88 0.03 0.00 -0.44 0.00 0.00 34.13 29.80 2k2b s GLU 105 CO 0.48 -0.69 1.72 -1.58 0.95 0.00 0.00 175.26 176.15 2k2b s HIS 106 N 2.10 2.54 -0.10 4.83 5.65 -1.26 -4.96 115.29 124.09 2k2b s HIS 106 Ca 0.12 -1.01 -0.28 0.00 0.25 0.00 0.00 55.06 54.14 2k2b s HIS 106 Cb -0.17 -4.59 -0.02 0.00 -1.18 0.00 0.00 32.58 26.63 2k2b s HIS 106 CO 0.13 -1.73 0.95 -3.38 -0.65 0.00 0.00 174.74 170.06 2k2b s HIS 107 N 5.79 3.52 -0.30 3.88 -3.43 -1.26 -4.94 115.29 118.55 2k2b s HIS 107 Ca 0.56 1.53 0.22 0.00 -0.80 0.00 0.00 55.06 56.56 2k2b s HIS 107 Cb 0.02 -3.12 0.12 0.00 -1.43 0.00 0.00 32.58 28.16 2k2b s HIS 107 CO 0.05 -0.18 1.25 1.25 -2.00 0.00 0.00 174.74 175.11 2k2b h HIS 108 N 7.08 0.00 -2.52 0.38 -0.00 -2.07 -3.47 115.15 114.54 2k2b h HIS 108 Ca -0.33 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 59.97 2k2b h HIS 108 Cb 1.16 0.00 -0.19 0.00 -0.00 0.00 0.00 27.41 28.38 2k2b h HIS 108 CO 0.70 0.04 0.00 -1.58 -0.00 0.00 0.00 177.93 177.10 2k2b s HIS 109 N -3.28 -0.45 0.00 5.26 5.65 -1.26 -5.17 115.29 116.04 2k2b s HIS 109 Ca 0.02 0.69 0.00 0.00 0.25 0.00 0.00 55.06 56.02 2k2b s HIS 109 Cb 0.08 0.29 0.00 0.00 -1.18 0.00 0.00 32.58 31.77 2k2b s HIS 109 CO 0.75 -0.55 0.00 0.72 -0.65 0.00 0.00 174.74 175.01 2k2b n HIS 110 N 0.89 0.00 1.56 3.88 -0.00 -1.26 -5.21 115.22 115.08 2k2b n HIS 110 Ca -0.20 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.65 2k2b n HIS 110 Cb 0.58 0.00 0.74 0.00 -0.00 0.00 0.00 29.99 31.30 2k2b n HIS 110 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92