#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 3.02 0.30 7.83 3.41 -1.26 -4.86 113.62 122.06 2k2b n SER 2 Ca 0.00 1.03 0.18 0.00 -0.26 0.00 0.00 58.87 59.81 2k2b n SER 2 Cb 0.00 -1.32 0.93 0.00 -0.26 0.00 0.00 64.21 63.56 2k2b n SER 2 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 2k2b h TRP 3 N 7.82 0.00 0.33 7.33 6.55 -1.99 -2.75 115.95 133.24 2k2b h TRP 3 Ca -0.47 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.35 2k2b h TRP 3 Cb 1.28 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.58 2k2b h TRP 3 CO 0.79 0.04 -0.26 0.52 -1.05 0.00 0.00 178.44 178.48 2k2b h MET 4 N 0.00 -0.55 -0.52 0.49 2.86 -1.89 0.25 114.93 115.57 2k2b h MET 4 Ca -0.00 0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2k2b h MET 4 Cb 0.21 0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 2k2b h MET 4 CO 0.00 -0.37 0.25 0.37 1.06 0.00 0.00 176.91 178.22 2k2b h GLN 5 N -0.57 0.73 -0.73 1.72 5.75 -1.52 -2.21 115.11 118.27 2k2b h GLN 5 Ca -0.04 -0.09 0.06 0.00 -0.15 0.00 0.00 58.65 58.43 2k2b h GLN 5 Cb 0.48 -0.14 -0.06 0.00 1.07 0.00 0.00 27.48 28.83 2k2b h GLN 5 CO 0.01 0.57 0.43 -0.97 -2.65 0.00 0.00 178.83 176.22 2k2b h ASN 6 N 0.73 0.65 -0.61 -0.69 -0.73 -1.27 -1.95 115.58 111.72 2k2b h ASN 6 Ca 0.18 0.03 -0.04 0.00 1.87 0.00 0.00 56.30 58.33 2k2b h ASN 6 Cb 0.08 -0.11 -0.03 0.00 0.27 0.00 0.00 38.32 38.54 2k2b h ASN 6 CO -0.02 0.42 0.21 -0.07 -0.37 0.00 0.00 177.43 177.59 2k2b h LEU 7 N 0.78 0.87 -1.71 0.34 3.38 0.10 0.35 115.31 119.43 2k2b h LEU 7 Ca 0.32 -0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.21 2k2b h LEU 7 Cb 0.18 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2k2b h LEU 7 CO -0.18 0.83 0.39 0.50 0.09 0.00 0.00 178.44 180.07 2k2b h LYS 8 N 0.86 0.31 0.05 1.13 1.63 -0.95 -0.05 116.57 119.54 2k2b h LYS 8 Ca 0.20 -0.02 -0.26 0.00 -0.85 0.00 0.00 60.65 59.72 2k2b h LYS 8 Cb 0.26 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 2k2b h LYS 8 CO -0.01 0.21 -1.33 -0.91 -3.45 0.00 0.00 179.45 173.96 2k2b h ASN 9 N 0.32 0.15 0.00 4.20 -0.26 -0.80 -3.32 115.58 115.87 2k2b h ASN 9 Ca 0.27 -0.20 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 2k2b h ASN 9 Cb 0.63 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.84 2k2b h ASN 9 CO -0.07 1.17 0.00 0.00 -1.06 0.00 0.00 177.43 177.47 2k2b n TYR 10 N -3.33 0.00 0.80 1.19 9.36 0.12 -4.58 117.16 120.72 2k2b n TYR 10 Ca -0.09 -0.73 0.00 0.00 3.32 0.00 0.00 57.90 60.40 2k2b n TYR 10 Cb 1.00 -0.38 0.00 0.00 -0.63 0.00 0.00 39.34 39.34 2k2b n TYR 10 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 2k2b n GLN 11 N 1.09 0.80 0.04 2.98 -0.06 -1.03 -3.24 117.38 117.97 2k2b n GLN 11 Ca 0.00 0.00 0.13 0.00 -2.00 0.00 0.00 57.00 55.13 2k2b n GLN 11 Cb 0.47 -1.23 0.40 0.00 -4.06 0.00 0.00 30.24 25.82 2k2b n GLN 11 CO 0.00 0.00 0.00 1.58 -0.20 0.00 0.00 177.06 178.44 2k2b n HIS 12 N 0.38 0.40 -4.11 3.69 -0.00 -1.26 -4.91 115.22 109.41 2k2b n HIS 12 Ca 0.00 0.12 -0.08 0.00 0.46 0.00 0.00 57.72 58.22 2k2b n HIS 12 Cb 0.32 -0.62 -0.10 0.00 -0.12 0.00 0.00 29.99 29.46 2k2b n HIS 12 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2k2b s LEU 13 N -3.72 2.40 -1.29 0.27 2.96 -1.20 -5.08 118.68 113.03 2k2b s LEU 13 Ca 0.11 -1.03 -0.08 0.00 -0.22 0.00 0.00 54.13 52.91 2k2b s LEU 13 Cb 0.16 0.17 0.16 0.00 0.50 0.00 0.00 46.19 47.17 2k2b s LEU 13 CO 0.62 -0.59 1.99 0.54 -1.32 0.00 0.00 176.35 177.59 2k2b n ARG 14 N 0.06 3.89 -3.31 1.98 1.74 -1.26 -4.92 116.66 114.84 2k2b n ARG 14 Ca -0.13 -3.54 -0.45 0.00 -0.77 0.00 0.00 57.85 52.97 2k2b n ARG 14 Cb 0.61 -2.84 -0.06 0.00 -1.02 0.00 0.00 32.46 29.15 2k2b n ARG 14 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2k2b s ASP 15 N 0.64 6.17 0.00 0.55 1.11 -1.26 -4.95 116.67 118.93 2k2b s ASP 15 Ca 0.43 -1.50 0.28 0.00 0.18 0.00 0.00 52.55 51.94 2k2b s ASP 15 Cb 0.12 -2.21 1.67 0.00 1.07 0.00 0.00 42.92 43.57 2k2b s ASP 15 CO -0.02 -0.80 2.03 -0.81 1.18 0.00 0.00 175.17 176.76 2k2b n PRO 16 N 5.39 0.84 -0.35 8.23 -0.04 -1.26 -3.95 135.00 143.87 2k2b n PRO 16 Ca -0.12 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.43 2k2b n PRO 16 Cb 0.42 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.00 0.80 -0.46 3.54 0.02 -2.00 0.06 113.55 115.50 2k2b h SER 17 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2k2b h SER 17 Cb 0.03 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 2k2b h SER 17 CO 0.00 0.36 0.30 1.05 -1.14 0.00 0.00 176.83 177.40 2k2b h GLU 18 N 0.84 0.61 -0.75 3.45 4.11 -1.88 -2.49 114.58 118.47 2k2b h GLU 18 Ca 0.52 -0.04 0.06 0.00 0.07 0.00 0.00 59.36 59.97 2k2b h GLU 18 Cb 0.68 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 2k2b h GLU 18 CO -0.33 0.41 0.49 1.88 0.07 0.00 0.00 179.01 181.53 2k2b h TYR 19 N 0.62 0.82 0.04 2.06 -1.99 -1.29 0.44 116.97 117.68 2k2b h TYR 19 Ca 0.17 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.92 2k2b h TYR 19 Cb -0.07 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 38.39 2k2b h TYR 19 CO -0.04 0.44 -0.02 1.98 -0.00 0.00 0.00 178.16 180.52 2k2b h MET 20 N 0.82 -0.05 0.00 4.88 4.05 -0.95 -0.27 114.93 123.41 2k2b h MET 20 Ca 0.32 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.70 2k2b h MET 20 Cb 0.20 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.01 2k2b h MET 20 CO -0.10 0.05 -0.17 0.77 0.23 0.00 0.00 176.91 177.70 2k2b h SER 21 N -0.15 0.00 0.48 1.39 0.02 -1.07 -3.29 113.55 110.93 2k2b h SER 21 Ca -0.01 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.64 2k2b h SER 21 Cb 0.13 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.68 2k2b h SER 21 CO 0.01 0.17 -1.41 -0.61 -1.14 0.00 0.00 176.83 173.84 2k2b h GLN 22 N 0.00 0.32 -4.57 3.45 4.15 0.10 -3.43 115.11 115.12 2k2b h GLN 22 Ca -0.00 -0.54 -0.68 0.00 0.77 0.00 0.00 58.65 58.20 2k2b h GLN 22 Cb 0.86 0.20 -0.36 0.00 0.21 0.00 0.00 27.48 28.38 2k2b h GLN 22 CO 0.02 1.22 -0.62 0.08 -1.93 0.00 0.00 178.83 177.61 2k2b s VAL 23 N -2.63 2.89 -0.54 2.39 1.01 -0.13 -4.66 120.40 118.73 2k2b s VAL 23 Ca -0.07 -2.14 0.24 0.00 0.00 0.00 0.00 61.98 60.01 2k2b s VAL 23 Cb 0.06 -3.02 0.14 0.00 0.00 0.00 0.00 36.38 33.57 2k2b s VAL 23 CO 0.88 -0.63 1.41 0.22 0.00 0.00 0.00 175.10 176.99 2k2b h TYR 24 N 7.88 0.00 0.00 5.22 3.20 -1.83 -3.44 116.97 128.00 2k2b h TYR 24 Ca -0.10 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.77 2k2b h TYR 24 Cb 1.04 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.31 2k2b h TYR 24 CO 0.52 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 177.45 2k2b n GLY 25 N 1.26 -1.76 3.63 1.82 0.00 -1.25 -4.75 105.19 104.15 2k2b n GLY 25 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.87 6.80 0.41 1.61 1.01 -0.06 -4.93 116.67 119.64 2k2b s ASP 26 Ca 0.00 0.93 0.10 0.00 0.71 0.00 0.00 52.55 54.29 2k2b s ASP 26 Cb 0.00 -2.45 0.91 0.00 1.01 0.00 0.00 42.92 42.39 2k2b s ASP 26 CO 0.00 -0.61 1.98 1.55 0.21 0.00 0.00 175.17 178.30 2k2b h PRO 27 N 7.88 0.53 0.00 8.23 0.13 -1.85 -0.57 132.00 146.35 2k2b h PRO 27 Ca -0.23 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.83 2k2b h PRO 27 Cb 1.09 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 2k2b h PRO 27 CO 0.91 0.35 -0.20 -0.07 -0.23 0.00 0.00 178.00 178.76 2k2b h LEU 28 N 0.55 0.00 0.91 1.56 4.07 -1.95 -2.17 115.31 118.28 2k2b h LEU 28 Ca 0.28 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.19 2k2b h LEU 28 Cb 0.38 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.13 2k2b h LEU 28 CO -0.08 0.20 -0.45 0.00 -1.08 0.00 0.00 178.44 177.03 2k2b h ALA 29 N 1.80 -1.24 0.00 1.53 0.00 -1.39 0.65 119.26 120.61 2k2b h ALA 29 Ca -0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 2k2b h ALA 29 Cb 0.36 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2k2b h ALA 29 CO 0.03 -1.20 -0.50 0.10 0.00 0.00 0.00 179.25 177.68 2k2b h TYR 30 N -1.23 0.00 0.16 0.00 -0.00 -1.62 -2.07 116.97 112.20 2k2b h TYR 30 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.60 2k2b h TYR 30 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.68 2k2b h TYR 30 CO -0.01 0.50 -0.08 1.25 -0.00 0.00 0.00 178.16 179.82 2k2b h LEU 31 N 0.00 -0.19 -0.70 0.10 7.12 -1.28 0.13 115.31 120.50 2k2b h LEU 31 Ca -0.01 -0.08 -0.01 0.00 0.13 0.00 0.00 57.88 57.92 2k2b h LEU 31 Cb 1.11 0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 41.25 2k2b h LEU 31 CO 0.07 -0.03 0.41 1.56 -0.13 0.00 0.00 178.44 180.31 2k2b h GLN 32 N -0.33 0.96 -0.55 1.25 1.08 -0.85 -1.96 115.11 114.71 2k2b h GLN 32 Ca -0.02 -0.09 0.02 0.00 -1.45 0.00 0.00 58.65 57.10 2k2b h GLN 32 Cb 0.26 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.46 2k2b h GLN 32 CO 0.04 0.69 0.35 1.49 -0.95 0.00 0.00 178.83 180.44 2k2b h GLU 33 N 0.95 0.67 -0.76 1.46 4.57 -1.21 0.49 114.58 120.75 2k2b h GLU 33 Ca 0.25 -0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.47 2k2b h GLU 33 Cb -0.01 -0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 28.38 2k2b h GLU 33 CO -0.04 0.44 0.50 1.15 -1.18 0.00 0.00 179.01 179.88 2k2b h THR 34 N 0.69 0.97 0.01 0.32 2.02 -0.42 1.10 112.91 117.60 2k2b h THR 34 Ca 0.21 -0.25 -0.20 0.00 0.77 0.00 0.00 66.41 66.95 2k2b h THR 34 Cb -0.02 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.56 2k2b h THR 34 CO -0.08 0.13 -0.93 0.74 0.37 0.00 0.00 175.52 175.75 2k2b h THR 35 N 0.72 1.64 0.00 3.16 2.02 -0.48 -3.40 112.91 116.57 2k2b h THR 35 Ca 0.34 -3.10 0.00 0.00 0.77 0.00 0.00 66.41 64.42 2k2b h THR 35 Cb 0.39 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.49 2k2b h THR 35 CO -0.12 0.89 -0.55 0.29 0.37 0.00 0.00 175.52 176.40 2k2b n LYS 36 N -3.47 0.33 -2.00 6.66 4.01 0.16 -5.08 118.16 118.78 2k2b n LYS 36 Ca -0.01 0.24 -0.01 0.00 -0.51 0.00 0.00 58.31 58.02 2k2b n LYS 36 Cb 0.87 -1.20 0.00 0.00 -0.51 0.00 0.00 35.03 34.19 2k2b n LYS 36 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2k2b n PHE 37 N -3.80 -0.91 -2.72 2.13 7.35 0.37 -4.71 117.46 115.17 2k2b n PHE 37 Ca -0.08 0.34 -0.02 0.00 -0.76 0.00 0.00 57.45 56.94 2k2b n PHE 37 Cb 0.28 -2.43 0.00 0.00 0.35 0.00 0.00 39.48 37.69 2k2b n PHE 37 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2k2b n VAL 38 N -1.37-11.73 0.00 -2.13 0.31 -1.26 -5.03 118.33 97.12 2k2b n VAL 38 Ca -0.00 1.63 0.00 0.00 -0.01 0.00 0.00 64.34 65.96 2k2b n VAL 38 Cb 0.51 -6.98 0.00 0.00 -0.91 0.00 0.00 33.84 26.46 2k2b n VAL 38 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2k2b n THR 39 N 0.49 0.00 -3.90 2.52 -2.24 -1.26 -4.99 114.28 104.89 2k2b n THR 39 Ca 0.02 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.70 2k2b n THR 39 Cb 0.10 -0.07 -0.10 0.00 -2.10 0.00 0.00 70.33 68.16 2k2b n THR 39 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2k2b s GLU 40 N -0.79 0.49 0.64 -0.78 -6.30 -1.26 -5.01 118.70 105.68 2k2b s GLU 40 Ca 0.00 -0.52 0.34 0.00 -2.50 0.00 0.00 54.97 52.29 2k2b s GLU 40 Cb 0.00 0.20 1.88 0.00 0.00 0.00 0.00 34.13 36.20 2k2b s GLU 40 CO 0.00 -0.11 2.12 0.07 0.02 0.00 0.00 175.26 177.35 2k2b h ARG 41 N 4.17 0.00 -1.32 4.30 0.11 -2.02 -0.83 114.38 118.80 2k2b h ARG 41 Ca -0.31 0.00 0.46 0.00 0.10 0.00 0.00 59.98 60.23 2k2b h ARG 41 Cb 1.19 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 32.14 2k2b h ARG 41 CO 0.43 0.00 0.84 -1.91 0.10 0.00 0.00 179.97 179.43 2k2b n GLU 42 N -3.27 -0.04 -0.04 0.08 2.13 -1.26 0.32 120.64 118.56 2k2b n GLU 42 Ca -0.01 1.22 -0.02 0.00 0.66 0.00 0.00 57.16 59.02 2k2b n GLU 42 Cb 0.28 -2.40 -0.09 0.00 0.27 0.00 0.00 31.44 29.50 2k2b n GLU 42 CO 0.00 0.00 0.00 2.48 -0.41 0.00 0.00 177.13 179.20 2k2b n TYR 43 N -4.68 0.00 -1.45 4.31 0.18 -0.33 -4.71 117.16 110.48 2k2b n TYR 43 Ca 0.39 0.00 0.02 0.00 1.88 0.00 0.00 57.90 60.19 2k2b n TYR 43 Cb 1.51 -0.47 0.20 0.00 -0.38 0.00 0.00 39.34 40.20 2k2b n TYR 43 CO 0.00 0.00 0.00 2.48 -2.08 0.00 0.00 176.86 177.26 2k2b n TYR 44 N -2.26 0.54 -0.04 -3.48 4.11 -0.71 -4.39 117.16 110.93 2k2b n TYR 44 Ca -0.13 -1.46 -0.00 0.00 -0.00 0.00 0.00 57.90 56.30 2k2b n TYR 44 Cb 0.70 -0.35 -0.00 0.00 -0.00 0.00 0.00 39.34 39.68 2k2b n TYR 44 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.86 178.35 2k2b h GLU 45 N 0.96 0.00 -0.28 -3.48 4.81 -0.41 -3.41 114.58 112.77 2k2b h GLU 45 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2k2b h GLU 45 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2k2b h GLU 45 CO 0.19 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.22 2k2b n ASP 46 N -4.36 3.13 -4.72 1.04 8.00 -1.26 -4.20 116.55 114.17 2k2b n ASP 46 Ca -0.00 -2.36 -0.39 0.00 0.71 0.00 0.00 54.79 52.75 2k2b n ASP 46 Cb 0.01 -0.32 -0.05 0.00 -0.02 0.00 0.00 41.12 40.74 2k2b n ASP 46 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2k2b s PHE 47 N -1.64 3.55 -0.49 1.24 0.40 -1.26 -5.01 117.98 114.76 2k2b s PHE 47 Ca 0.27 1.08 -0.18 0.00 -0.60 0.00 0.00 56.93 57.50 2k2b s PHE 47 Cb 0.19 -2.68 0.06 0.00 0.51 0.00 0.00 43.02 41.10 2k2b s PHE 47 CO 0.12 0.13 0.54 0.20 0.70 0.00 0.00 175.22 176.91 2k2b s GLY 48 N 0.68 1.88 -0.55 4.36 0.00 -1.24 -4.75 107.32 107.70 2k2b s GLY 48 Ca 0.32 -1.88 -0.27 0.00 0.00 0.00 0.00 44.72 42.89 2k2b s GLY 48 CO 0.14 1.32 1.07 -0.19 0.00 0.00 0.00 173.10 175.44 2k2b s TYR 49 N 2.26 2.73 0.00 1.90 2.02 -1.26 -0.88 117.35 124.12 2k2b s TYR 49 Ca 0.11 0.29 0.00 0.00 -0.37 0.00 0.00 57.07 57.10 2k2b s TYR 49 Cb -0.21 -4.29 0.00 0.00 -0.40 0.00 0.00 41.96 37.06 2k2b s TYR 49 CO 0.10 -1.42 0.00 0.41 -1.57 0.00 0.00 175.55 173.07 2k2b n GLY 50 N 5.05 4.04 0.41 0.71 0.00 -1.26 -1.57 105.19 112.56 2k2b n GLY 50 Ca 0.06 0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.18 2k2b n GLY 50 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k2b n GLU 51 N 13.88 2.81 -0.07 1.61 1.02 -1.26 -3.75 120.64 134.87 2k2b n GLU 51 Ca 0.00 -1.99 -0.11 0.00 -0.02 0.00 0.00 57.16 55.04 2k2b n GLU 51 Cb 0.00 -1.26 -0.09 0.00 -0.02 0.00 0.00 31.44 30.07 2k2b n GLU 51 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k2b n PHE 53 N -4.64 2.70 -3.56 0.00 3.01 -1.19 -3.64 117.46 110.14 2k2b n PHE 53 Ca -0.09 -1.46 -0.15 0.00 1.01 0.00 0.00 57.45 56.76 2k2b n PHE 53 Cb 0.37 -0.80 -0.05 0.00 -0.01 0.00 0.00 39.48 38.99 2k2b n PHE 53 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 2k2b s ASN 54 N -1.09 -0.48 1.18 4.37 2.47 -1.25 -3.67 114.94 116.47 2k2b s ASN 54 Ca 0.55 0.28 -0.17 0.00 0.42 0.00 0.00 52.86 53.94 2k2b s ASN 54 Cb 0.45 0.50 0.27 0.00 -1.45 0.00 0.00 41.25 41.02 2k2b s ASN 54 CO 0.12 -0.69 1.06 -0.44 -3.72 0.00 0.00 177.10 173.43 2k2b s SER 55 N -1.80 1.04 0.04 -4.21 0.01 -1.26 -4.55 113.70 102.97 2k2b s SER 55 Ca -0.07 0.96 -0.30 0.00 1.31 0.00 0.00 55.95 57.85 2k2b s SER 55 Cb -0.01 -1.44 -0.07 0.00 0.21 0.00 0.00 66.02 64.71 2k2b s SER 55 CO 0.01 -4.09 1.55 0.28 0.41 0.00 0.00 173.24 171.41 2k2b s THR 56 N -2.78 3.30 0.00 1.44 -1.32 -1.26 -4.75 115.64 110.26 2k2b s THR 56 Ca 0.69 0.72 0.00 0.00 -1.21 0.00 0.00 61.69 61.89 2k2b s THR 56 Cb -0.15 -3.46 0.00 0.00 -1.51 0.00 0.00 72.50 67.37 2k2b s THR 56 CO 0.58 -0.00 0.00 1.21 -2.21 0.00 0.00 174.62 174.20 2k2b n GLU 57 N 5.51 0.35 -3.06 7.08 4.07 -1.26 -5.04 120.64 128.28 2k2b n GLU 57 Ca 0.15 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.84 2k2b n GLU 57 Cb 0.42 -0.55 -0.06 0.00 -0.06 0.00 0.00 31.44 31.19 2k2b n GLU 57 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2k2b s SER 58 N -1.48 6.57 0.42 4.31 0.15 -1.26 -4.93 113.70 117.47 2k2b s SER 58 Ca 0.00 0.56 0.29 0.00 0.70 0.00 0.00 55.95 57.50 2k2b s SER 58 Cb 0.00 -2.36 1.40 0.00 -1.71 0.00 0.00 66.02 63.36 2k2b s SER 58 CO 0.00 -0.50 1.88 1.05 1.20 0.00 0.00 173.24 176.88 2k2b h GLU 59 N 8.10 0.00 -0.65 5.44 4.11 -2.02 0.48 114.58 130.05 2k2b h GLU 59 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.17 2k2b h GLU 59 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2k2b h GLU 59 CO 0.82 0.00 0.00 0.28 0.07 0.00 0.00 179.01 180.18 2k2b n VAL 60 N -2.58 1.66 -1.10 -1.06 0.31 -1.26 -5.08 118.33 109.22 2k2b n VAL 60 Ca -0.00 -1.17 0.08 0.00 -0.01 0.00 0.00 64.34 63.24 2k2b n VAL 60 Cb 0.15 0.21 -0.02 0.00 -0.91 0.00 0.00 33.84 33.27 2k2b n VAL 60 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k2b n GLN 61 N 1.17 -1.25 -1.47 5.55 6.02 0.16 -4.52 117.38 123.04 2k2b n GLN 61 Ca 0.25 0.83 -0.43 0.00 -0.01 0.00 0.00 57.00 57.64 2k2b n GLN 61 Cb 0.82 -1.53 -0.00 0.00 1.02 0.00 0.00 30.24 30.56 2k2b n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k2b n GLU 63 N 0.69 0.25 0.16 0.00 -0.58 -1.26 -1.46 120.64 118.45 2k2b n GLU 63 Ca 0.12 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.88 2k2b n GLU 63 Cb 0.36 -1.19 0.39 0.00 -0.57 0.00 0.00 31.44 30.43 2k2b n GLU 63 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2k2b h LEU 64 N 0.00 0.11 0.05 -4.62 7.12 -1.86 0.48 115.31 116.58 2k2b h LEU 64 Ca 0.00 -0.03 -0.33 0.00 0.13 0.00 0.00 57.88 57.65 2k2b h LEU 64 Cb 0.00 -0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 40.06 2k2b h LEU 64 CO 0.00 0.36 -1.88 -0.38 -0.13 0.00 0.00 178.44 176.42 2k2b n ILE 65 N -4.20 1.67 -0.07 4.05 2.08 -0.53 -4.64 119.36 117.70 2k2b n ILE 65 Ca -0.02 -0.74 -0.10 0.00 0.56 0.00 0.00 62.75 62.46 2k2b n ILE 65 Cb 0.33 -1.30 -0.06 0.00 -0.75 0.00 0.00 39.64 37.86 2k2b n ILE 65 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 2k2b h THR 66 N 0.03 0.57 -1.87 1.39 2.02 -1.63 -3.49 112.91 109.93 2k2b h THR 66 Ca -0.36 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 65.26 2k2b h THR 66 Cb 2.03 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 69.65 2k2b h THR 66 CO 0.08 0.19 0.00 0.61 0.37 0.00 0.00 175.52 176.77 2k2b n GLY 67 N 1.60 0.78 2.70 2.16 0.00 0.17 -5.06 105.19 107.54 2k2b n GLY 67 Ca -0.13 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 2k2b n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k2b s GLU 68 N 1.68 0.65 -0.28 1.61 0.41 -1.26 -4.79 118.70 116.72 2k2b s GLU 68 Ca 0.00 -1.03 -0.16 0.00 -0.41 0.00 0.00 54.97 53.38 2k2b s GLU 68 Cb 0.00 -1.86 0.10 0.00 -1.78 0.00 0.00 34.13 30.59 2k2b s GLU 68 CO 0.00 -1.00 0.77 -0.59 -0.49 0.00 0.00 175.26 173.95 2k2b s PHE 69 N 1.64 -0.95 -0.04 1.61 -0.71 -1.26 -3.06 117.98 115.20 2k2b s PHE 69 Ca 0.10 1.87 0.04 0.00 -1.04 0.00 0.00 56.93 57.90 2k2b s PHE 69 Cb -0.17 0.57 -0.00 0.00 -1.21 0.00 0.00 43.02 42.20 2k2b s PHE 69 CO -0.26 -0.47 -0.15 0.34 -1.34 0.00 0.00 175.22 173.34 2k2b s ASP 70 N 1.67 1.97 0.17 1.98 -1.08 -1.26 -4.97 116.67 115.15 2k2b s ASP 70 Ca -0.09 -0.32 0.19 0.00 -0.52 0.00 0.00 52.55 51.81 2k2b s ASP 70 Cb -0.05 -0.59 0.84 0.00 -1.46 0.00 0.00 42.92 41.66 2k2b s ASP 70 CO -0.19 0.13 1.60 -0.81 0.52 0.00 0.00 175.17 176.42 2k2b n PRO 71 N 3.25 0.12 0.04 4.34 -0.04 -1.26 -2.24 135.00 139.22 2k2b n PRO 71 Ca -0.19 0.39 0.12 0.00 -0.04 0.00 0.00 63.50 63.79 2k2b n PRO 71 Cb 0.53 -1.75 0.22 0.00 -0.04 0.00 0.00 33.50 32.47 2k2b n PRO 71 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k2b n LYS 72 N -1.98 0.20 -0.44 0.54 4.76 -1.26 -3.98 118.16 116.01 2k2b n LYS 72 Ca 0.02 0.06 0.04 0.00 -2.87 0.00 0.00 58.31 55.57 2k2b n LYS 72 Cb 0.18 -1.63 0.21 0.00 -1.84 0.00 0.00 35.03 31.95 2k2b n LYS 72 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2k2b n LEU 73 N -1.93 3.31 -4.39 -0.35 7.99 -0.95 -4.89 117.00 115.79 2k2b n LEU 73 Ca 0.04 -1.67 -0.25 0.00 -0.01 0.00 0.00 56.01 54.12 2k2b n LEU 73 Cb 0.41 -0.54 -0.11 0.00 -0.11 0.00 0.00 43.42 43.06 2k2b n LEU 73 CO 0.35 0.47 -0.51 -1.48 -1.51 0.00 0.00 177.39 174.71 2k2b s LEU 74 N -1.40 2.44 0.70 2.23 0.05 -1.26 -4.54 118.68 116.91 2k2b s LEU 74 Ca 0.29 -0.87 -0.11 0.00 0.05 0.00 0.00 54.13 53.49 2k2b s LEU 74 Cb 0.21 -1.02 0.01 0.00 -2.05 0.00 0.00 46.19 43.34 2k2b s LEU 74 CO 0.10 0.05 1.06 -2.16 -0.55 0.00 0.00 176.35 174.86 2k2b s PRO 75 N -2.75 2.89 -0.86 1.48 0.04 -1.26 -4.97 135.00 129.57 2k2b s PRO 75 Ca 0.19 0.98 -0.25 0.00 0.04 0.00 0.00 61.00 61.97 2k2b s PRO 75 Cb -0.07 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.53 2k2b s PRO 75 CO 0.09 -1.14 1.32 0.71 0.04 0.00 0.00 177.00 178.02 2k2b s TYR 76 N -3.01 2.45 -0.20 0.56 1.51 -1.26 -4.84 117.35 112.56 2k2b s TYR 76 Ca 0.58 -0.47 0.01 0.00 -1.01 0.00 0.00 57.07 56.19 2k2b s TYR 76 Cb -0.14 -4.62 0.03 0.00 -0.11 0.00 0.00 41.96 37.12 2k2b s TYR 76 CO 0.54 -1.97 -0.16 -0.51 -1.11 0.00 0.00 175.55 172.35 2k2b s ASP 77 N 4.24 3.43 0.09 2.29 1.11 -1.26 -5.06 116.67 121.50 2k2b s ASP 77 Ca 0.39 -0.84 -0.32 0.00 0.18 0.00 0.00 52.55 51.95 2k2b s ASP 77 Cb -0.05 -1.42 -0.14 0.00 1.07 0.00 0.00 42.92 42.38 2k2b s ASP 77 CO 0.03 -0.08 1.50 0.50 1.18 0.00 0.00 175.17 178.31 2k2b h LYS 78 N 7.92 -0.71 -0.55 8.23 3.64 -1.98 0.18 116.57 133.30 2k2b h LYS 78 Ca -0.36 0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 58.97 2k2b h LYS 78 Cb 1.11 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 2k2b h LYS 78 CO 0.56 -0.47 -0.04 0.00 -2.27 0.00 0.00 179.45 177.22 2k2b h ARG 79 N -0.73 1.00 0.85 1.90 3.08 -1.99 -1.64 114.38 116.85 2k2b h ARG 79 Ca -0.02 -0.34 -0.04 0.00 0.07 0.00 0.00 59.98 59.65 2k2b h ARG 79 Cb 0.71 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.69 2k2b h ARG 79 CO -0.22 1.02 -0.41 -0.07 -1.07 0.00 0.00 179.97 179.22 2k2b h LEU 80 N 0.87 -0.96 -1.27 3.04 -0.00 -1.88 -2.60 115.31 112.51 2k2b h LEU 80 Ca 0.15 0.03 0.04 0.00 -0.00 0.00 0.00 57.88 58.10 2k2b h LEU 80 Cb 0.59 0.25 -0.05 0.00 -0.00 0.00 0.00 40.66 41.46 2k2b h LEU 80 CO 0.04 -0.61 0.51 0.00 -0.00 0.00 0.00 178.44 178.38 2k2b h ALA 81 N -1.26 1.56 -0.23 1.53 0.00 -0.73 -2.42 119.26 117.70 2k2b h ALA 81 Ca -0.12 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.81 2k2b h ALA 81 Cb 0.88 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 2k2b h ALA 81 CO 0.19 0.36 -0.10 2.35 0.00 0.00 0.00 179.25 182.05 2k2b h TRP 82 N 0.93 -0.23 0.07 0.00 2.91 -1.23 0.16 115.95 118.57 2k2b h TRP 82 Ca 0.32 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.36 2k2b h TRP 82 Cb 0.09 0.14 0.00 0.00 -0.51 0.00 0.00 29.16 28.87 2k2b h TRP 82 CO -0.00 -0.15 -0.03 0.45 -1.03 0.00 0.00 178.44 177.67 2k2b h HIS 83 N -0.06 -0.09 -0.59 2.65 3.86 -1.04 -1.90 115.15 117.97 2k2b h HIS 83 Ca 0.12 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.37 2k2b h HIS 83 Cb 0.24 0.03 -0.05 0.00 1.06 0.00 0.00 27.41 28.70 2k2b h HIS 83 CO -0.27 0.24 0.33 0.74 0.86 0.00 0.00 177.93 179.83 2k2b h PHE 84 N -0.43 0.62 -0.46 2.45 -1.00 -1.43 -0.67 116.94 116.02 2k2b h PHE 84 Ca -0.01 0.02 0.05 0.00 2.81 0.00 0.00 57.97 60.84 2k2b h PHE 84 Cb 0.37 -0.19 -0.08 0.00 3.61 0.00 0.00 35.95 39.66 2k2b h PHE 84 CO 0.04 0.32 -0.56 -0.22 -1.61 0.00 0.00 178.31 176.27 2k2b h LYS 85 N 0.64 -0.34 -0.22 1.51 3.64 -0.62 -1.58 116.57 119.60 2k2b h LYS 85 Ca 0.26 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 2k2b h LYS 85 Cb 0.12 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2k2b h LYS 85 CO -0.15 -0.23 0.06 0.93 -2.27 0.00 0.00 179.45 177.79 2k2b h GLU 86 N -0.36 0.31 -0.11 1.90 3.07 -0.83 0.61 114.58 119.17 2k2b h GLU 86 Ca 0.08 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.89 2k2b h GLU 86 Cb 0.57 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 2k2b h GLU 86 CO -0.63 0.29 -0.00 0.74 -1.40 0.00 0.00 179.01 178.01 2k2b h PHE 87 N 0.31 0.16 0.00 4.33 0.04 -0.40 -1.92 116.94 119.46 2k2b h PHE 87 Ca 0.08 -0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.78 2k2b h PHE 87 Cb 0.12 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 2k2b h PHE 87 CO 0.00 0.17 -1.49 0.00 -0.60 0.00 0.00 178.31 176.40 2k2b h TYR 89 N 0.00 0.76 -2.29 0.00 3.20 0.62 -3.44 116.97 115.82 2k2b h TYR 89 Ca -0.07 -0.48 -0.58 0.00 3.14 0.00 0.00 58.73 60.74 2k2b h TYR 89 Cb 1.21 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 2k2b h TYR 89 CO 0.00 1.34 1.39 0.15 -1.64 0.00 0.00 178.16 179.40 2k2b s LYS 90 N -2.94 3.17 -0.01 1.82 -0.14 -0.77 -4.83 119.74 116.05 2k2b s LYS 90 Ca -0.07 1.69 0.21 0.00 -1.36 0.00 0.00 55.97 56.44 2k2b s LYS 90 Cb 0.07 -4.30 -0.24 0.00 -1.68 0.00 0.00 37.83 31.68 2k2b s LYS 90 CO 0.90 -2.05 0.55 0.25 -0.76 0.00 0.00 175.35 174.24 2k2b n THR 91 N 7.60 0.49 -3.90 2.17 -2.24 -1.26 -4.18 114.28 112.96 2k2b n THR 91 Ca 0.27 -0.59 -0.29 0.00 -2.27 0.00 0.00 64.05 61.17 2k2b n THR 91 Cb 0.46 -0.23 -0.16 0.00 -2.10 0.00 0.00 70.33 68.30 2k2b n THR 91 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2k2b s SER 92 N -4.99 2.99 0.22 3.42 0.15 -1.26 -4.90 113.70 109.33 2k2b s SER 92 Ca -0.06 -0.74 -0.30 0.00 0.70 0.00 0.00 55.95 55.54 2k2b s SER 92 Cb 0.11 -0.96 -0.09 0.00 -1.71 0.00 0.00 66.02 63.37 2k2b s SER 92 CO 0.86 -0.19 1.31 0.00 1.20 0.00 0.00 173.24 176.42 2k2b s ALA 93 N 1.59 3.52 0.35 5.45 0.00 -1.24 -4.99 121.76 126.44 2k2b s ALA 93 Ca -0.00 1.13 0.04 0.00 0.00 0.00 0.00 51.96 53.13 2k2b s ALA 93 Cb -0.16 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 2k2b s ALA 93 CO -0.08 -0.54 0.37 0.72 0.00 0.00 0.00 175.76 176.23 2k2b n HIS 94 N 2.40 -1.07 0.29 0.00 8.25 -1.26 -4.98 115.22 118.85 2k2b n HIS 94 Ca 0.05 -2.69 0.14 0.00 -0.26 0.00 0.00 57.72 54.96 2k2b n HIS 94 Cb 0.43 0.40 0.88 0.00 1.12 0.00 0.00 29.99 32.82 2k2b n HIS 94 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2k2b h GLY 95 N 2.07 0.00 -6.21 -1.41 0.00 -1.90 -3.39 103.07 92.22 2k2b h GLY 95 Ca -0.25 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.48 2k2b h GLY 95 CO 0.36 0.00 0.52 -1.50 0.00 0.00 0.00 176.54 175.92 2k2b s ILE 96 N -4.65 4.69 0.00 2.60 2.07 -1.25 -4.69 121.20 119.98 2k2b s ILE 96 Ca -0.05 1.26 0.00 0.00 -1.41 0.00 0.00 60.65 60.45 2k2b s ILE 96 Cb 0.15 -4.24 0.00 0.00 0.13 0.00 0.00 42.46 38.50 2k2b s ILE 96 CO 0.56 -0.37 0.07 -0.81 -1.91 0.00 0.00 174.94 172.48 2k2b n PRO 97 N 6.46 0.00 -2.79 3.50 -0.04 -1.26 -4.90 135.00 135.97 2k2b n PRO 97 Ca 0.06 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.18 2k2b n PRO 97 Cb 0.48 -0.40 -0.07 0.00 -0.04 0.00 0.00 33.50 33.47 2k2b n PRO 97 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 2k2b s MET 98 N -0.13 4.21 0.62 0.54 -2.45 -1.26 -4.94 119.30 115.89 2k2b s MET 98 Ca 0.00 1.16 0.28 0.00 -1.25 0.00 0.00 55.69 55.88 2k2b s MET 98 Cb 0.00 -2.21 1.46 0.00 1.25 0.00 0.00 34.83 35.32 2k2b s MET 98 CO 0.00 -0.05 1.85 0.82 1.05 0.00 0.00 175.02 178.69 2k2b h ILE 99 N 1.92 0.20 0.00 10.11 2.04 -1.96 -1.05 117.51 128.77 2k2b h ILE 99 Ca -0.49 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.25 2k2b h ILE 99 Cb 1.19 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 2k2b h ILE 99 CO 0.61 0.00 -0.56 1.23 0.00 0.00 0.00 178.15 179.43 2k2b h GLY 100 N 0.00 0.00 -0.68 5.37 0.00 -1.99 -3.46 103.07 102.31 2k2b h GLY 100 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.13 2k2b h GLY 100 CO -0.00 0.00 0.30 1.18 0.00 0.00 0.00 176.54 178.02 2k2b n GLU 101 N -3.52 -0.92 -4.44 4.80 4.71 -0.40 -5.09 120.64 115.79 2k2b n GLU 101 Ca -0.00 -1.59 -0.34 0.00 -0.01 0.00 0.00 57.16 55.22 2k2b n GLU 101 Cb 0.65 -1.00 -0.10 0.00 -1.01 0.00 0.00 31.44 29.98 2k2b n GLU 101 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2k2b s ALA 102 N -3.92 3.17 0.32 0.62 0.00 -1.26 -4.93 121.76 115.76 2k2b s ALA 102 Ca 0.57 -0.89 0.17 0.00 0.00 0.00 0.00 51.96 51.81 2k2b s ALA 102 Cb -0.02 -1.33 0.85 0.00 0.00 0.00 0.00 23.12 22.62 2k2b s ALA 102 CO 0.40 0.60 1.85 -1.35 0.00 0.00 0.00 175.76 177.25 2k2b h PRO 103 N 4.92 0.00 -5.49 0.00 0.11 -1.93 -3.31 132.00 126.31 2k2b h PRO 103 Ca -0.49 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.46 2k2b h PRO 103 Cb 1.18 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.20 2k2b h PRO 103 CO 0.54 0.33 -0.23 1.47 -0.21 0.00 0.00 178.00 179.90 2k2b n LEU 104 N -3.84 -0.26 -4.28 2.35 -0.00 -1.26 -3.93 117.00 105.78 2k2b n LEU 104 Ca -0.01 0.07 -0.15 0.00 -0.00 0.00 0.00 56.01 55.91 2k2b n LEU 104 Cb 0.40 -1.19 -0.10 0.00 -0.00 0.00 0.00 43.42 42.53 2k2b n LEU 104 CO 0.36 0.02 -0.40 -1.83 -0.00 0.00 0.00 177.39 175.54 2k2b s GLU 105 N -5.54 1.15 0.00 1.47 -1.05 -1.26 -5.04 118.70 108.43 2k2b s GLU 105 Ca 0.20 -1.51 0.00 0.00 -0.15 0.00 0.00 54.97 53.51 2k2b s GLU 105 Cb -0.12 -0.72 0.00 0.00 -0.44 0.00 0.00 34.13 32.85 2k2b s GLU 105 CO 0.25 0.07 0.00 0.72 0.95 0.00 0.00 175.26 177.25 2k2b n HIS 106 N -0.26 0.00 -3.69 4.83 8.25 -1.26 -5.02 115.22 118.06 2k2b n HIS 106 Ca -0.09 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.17 2k2b n HIS 106 Cb 0.61 0.00 -0.18 0.00 1.12 0.00 0.00 29.99 31.54 2k2b n HIS 106 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k2b s HIS 107 N -1.66 0.15 -0.36 4.41 3.76 -1.26 -5.11 115.29 115.22 2k2b s HIS 107 Ca 0.00 0.19 -0.28 0.00 -0.15 0.00 0.00 55.06 54.81 2k2b s HIS 107 Cb 0.00 -0.52 -0.01 0.00 1.11 0.00 0.00 32.58 33.16 2k2b s HIS 107 CO 0.00 -0.21 1.72 -1.58 -0.85 0.00 0.00 174.74 173.82 2k2b s HIS 108 N 2.08 1.93 -0.32 1.40 2.46 -1.26 -4.90 115.29 116.67 2k2b s HIS 108 Ca 0.04 0.64 -0.28 0.00 0.47 0.00 0.00 55.06 55.93 2k2b s HIS 108 Cb -0.12 -4.17 -0.07 0.00 -0.13 0.00 0.00 32.58 28.10 2k2b s HIS 108 CO -0.03 -2.72 2.29 1.58 -2.47 0.00 0.00 174.74 173.39 2k2b n HIS 109 N 10.07 1.75 -2.50 3.88 -0.00 -1.26 -4.95 115.22 122.20 2k2b n HIS 109 Ca 0.21 -0.01 -0.38 0.00 -0.00 0.00 0.00 57.72 57.55 2k2b n HIS 109 Cb 0.47 -2.68 -0.04 0.00 -0.00 0.00 0.00 29.99 27.74 2k2b n HIS 109 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k2b s HIS 110 N 9.39 3.33 -2.00 1.57 2.46 -1.26 -5.15 115.29 123.64 2k2b s HIS 110 Ca 1.02 1.65 0.17 0.00 0.47 0.00 0.00 55.06 58.37 2k2b s HIS 110 Cb -0.35 -3.19 1.04 0.00 -0.13 0.00 0.00 32.58 29.95 2k2b s HIS 110 CO 0.34 -0.66 1.44 -2.39 -2.47 0.00 0.00 174.74 171.00