#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 -1.61 0.31 7.83 7.64 -1.26 -5.02 113.62 121.51 2k2b n SER 2 Ca 0.00 -2.34 0.19 0.00 1.01 0.00 0.00 58.87 57.73 2k2b n SER 2 Cb 0.00 2.74 1.05 0.00 -1.01 0.00 0.00 64.21 66.99 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 1.79 0.00 -0.10 1.43 6.55 -2.04 -2.44 115.95 121.14 2k2b h TRP 3 Ca -0.25 0.00 0.04 0.00 0.95 0.00 0.00 58.89 59.62 2k2b h TRP 3 Cb 0.97 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 29.23 2k2b h TRP 3 CO 0.00 0.00 -0.13 0.52 -1.05 0.00 0.00 178.44 177.78 2k2b h MET 4 N 0.00 -0.16 -0.28 0.49 2.86 -1.95 0.31 114.93 116.20 2k2b h MET 4 Ca 0.01 0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 2k2b h MET 4 Cb 0.15 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 2k2b h MET 4 CO -0.00 -0.11 -0.15 -0.56 1.06 0.00 0.00 176.91 177.15 2k2b h GLN 5 N -0.17 0.59 -0.84 1.72 3.07 -1.82 -1.51 115.11 116.16 2k2b h GLN 5 Ca 0.08 -0.27 0.02 0.00 0.09 0.00 0.00 58.65 58.57 2k2b h GLN 5 Cb 0.28 -0.01 -0.05 0.00 0.08 0.00 0.00 27.48 27.78 2k2b h GLN 5 CO -0.20 0.84 0.55 -0.97 0.09 0.00 0.00 178.83 179.14 2k2b h ASN 6 N 0.33 0.93 1.08 0.06 -0.73 -1.31 -0.68 115.58 115.27 2k2b h ASN 6 Ca 0.06 -0.02 -0.19 0.00 1.87 0.00 0.00 56.30 58.03 2k2b h ASN 6 Cb 0.67 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 39.01 2k2b h ASN 6 CO 0.04 0.66 -0.94 -0.07 -0.37 0.00 0.00 177.43 176.76 2k2b h LEU 7 N 1.10 0.00 -1.13 0.34 4.07 -0.41 -3.11 115.31 116.17 2k2b h LEU 7 Ca 0.32 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.21 2k2b h LEU 7 Cb -0.07 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 2k2b h LEU 7 CO -0.09 0.85 -0.31 0.50 -1.08 0.00 0.00 178.44 178.31 2k2b h LYS 8 N 0.00 0.00 -0.57 1.13 3.64 -0.98 -3.24 116.57 116.54 2k2b h LYS 8 Ca -0.04 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2k2b h LYS 8 Cb 1.68 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.46 2k2b h LYS 8 CO 0.11 0.31 0.36 -0.97 -2.27 0.00 0.00 179.45 176.99 2k2b h ASN 9 N 0.00 0.59 -1.73 4.20 -0.73 -1.05 -3.44 115.58 113.43 2k2b h ASN 9 Ca -0.00 -0.00 -0.51 0.00 1.87 0.00 0.00 56.30 57.65 2k2b h ASN 9 Cb 0.77 -0.13 -0.05 0.00 0.27 0.00 0.00 38.32 39.18 2k2b h ASN 9 CO 0.04 0.42 -0.45 -0.72 -0.37 0.00 0.00 177.43 176.35 2k2b s TYR 10 N -6.14 2.77 0.00 0.67 1.13 -1.22 -5.08 117.35 109.48 2k2b s TYR 10 Ca -0.13 -0.41 0.00 0.00 -1.41 0.00 0.00 57.07 55.12 2k2b s TYR 10 Cb 0.13 -1.90 0.00 0.00 -1.10 0.00 0.00 41.96 39.10 2k2b s TYR 10 CO 0.75 0.12 0.00 1.04 -2.51 0.00 0.00 175.55 174.95 2k2b n GLN 11 N -1.37 0.00 -3.78 -3.49 1.13 -1.26 -4.87 117.38 103.74 2k2b n GLN 11 Ca -0.00 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.79 2k2b n GLN 11 Cb 0.61 0.00 0.04 0.00 0.11 0.00 0.00 30.24 31.00 2k2b n GLN 11 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2k2b n HIS 12 N -1.16 -2.31 -2.50 1.08 8.25 -1.26 -2.74 115.22 114.58 2k2b n HIS 12 Ca 0.00 0.91 -0.02 0.00 -0.26 0.00 0.00 57.72 58.35 2k2b n HIS 12 Cb 0.00 -4.33 0.01 0.00 1.12 0.00 0.00 29.99 26.79 2k2b n HIS 12 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2k2b n LEU 13 N -4.62 -4.87 -4.69 2.41 4.77 -1.26 -4.98 117.00 103.77 2k2b n LEU 13 Ca -0.07 -0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.37 2k2b n LEU 13 Cb 0.58 -2.40 -0.03 0.00 -2.33 0.00 0.00 43.42 39.24 2k2b n LEU 13 CO 0.71 -0.56 0.82 -0.60 -1.33 0.00 0.00 177.39 176.43 2k2b s ARG 14 N -3.17 4.42 0.48 3.23 6.06 -1.11 -5.03 118.95 123.83 2k2b s ARG 14 Ca 0.06 1.46 -0.22 0.00 -2.50 0.00 0.00 55.73 54.53 2k2b s ARG 14 Cb -0.01 -3.54 -0.07 0.00 0.06 0.00 0.00 34.95 31.40 2k2b s ARG 14 CO 0.47 -0.33 1.20 -0.51 -2.50 0.00 0.00 175.30 173.63 2k2b s ASP 15 N 1.17 5.97 0.00 -2.12 1.11 -1.26 -4.91 116.67 116.63 2k2b s ASP 15 Ca 0.50 2.38 0.04 0.00 0.18 0.00 0.00 52.55 55.65 2k2b s ASP 15 Cb -0.20 -2.61 0.24 0.00 1.07 0.00 0.00 42.92 41.42 2k2b s ASP 15 CO 0.20 -1.06 0.74 -2.65 1.18 0.00 0.00 175.17 173.58 2k2b n PRO 16 N -0.65 0.53 0.20 8.23 -0.02 -1.26 -3.96 135.00 138.07 2k2b n PRO 16 Ca 0.08 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.43 2k2b n PRO 16 Cb 0.48 -1.12 -0.07 0.00 -0.02 0.00 0.00 33.50 32.76 2k2b n PRO 16 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2k2b h SER 17 N 0.00 -0.46 -0.86 2.55 4.64 -1.97 -2.08 113.55 115.37 2k2b h SER 17 Ca 0.00 -0.12 0.07 0.00 -0.47 0.00 0.00 61.79 61.27 2k2b h SER 17 Cb 0.00 0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 62.15 2k2b h SER 17 CO 0.00 -0.06 0.56 -0.33 -0.87 0.00 0.00 176.83 176.13 2k2b h GLU 18 N -0.94 0.93 0.03 4.77 3.07 -1.93 -1.61 114.58 118.91 2k2b h GLU 18 Ca -0.06 -0.06 0.02 0.00 -0.50 0.00 0.00 59.36 58.77 2k2b h GLU 18 Cb 0.55 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 28.22 2k2b h GLU 18 CO 0.09 0.62 -0.16 1.88 -1.40 0.00 0.00 179.01 180.04 2k2b h TYR 19 N 0.96 -0.41 -0.42 4.33 -1.99 -1.77 -1.46 116.97 116.22 2k2b h TYR 19 Ca 0.37 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 61.10 2k2b h TYR 19 Cb 0.22 0.18 -0.02 0.00 2.00 0.00 0.00 36.73 39.11 2k2b h TYR 19 CO -0.00 -0.23 0.20 1.98 -0.00 0.00 0.00 178.16 180.10 2k2b h MET 20 N -0.27 0.58 0.00 4.88 4.05 -0.75 -0.04 114.93 123.37 2k2b h MET 20 Ca 0.04 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.34 2k2b h MET 20 Cb 0.33 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 2k2b h MET 20 CO -0.13 0.46 -0.27 1.03 0.23 0.00 0.00 176.91 178.23 2k2b h SER 21 N 0.58 0.00 0.00 1.39 0.87 -0.92 -3.36 113.55 112.12 2k2b h SER 21 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2k2b h SER 21 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2k2b h SER 21 CO -0.02 0.27 -0.18 1.56 -0.53 0.00 0.00 176.83 177.93 2k2b h GLN 22 N 0.00 0.00 -6.17 2.24 1.08 -0.37 -3.47 115.11 108.42 2k2b h GLN 22 Ca -0.00 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.65 2k2b h GLN 22 Cb 0.83 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.21 2k2b h GLN 22 CO 0.04 0.00 0.16 0.54 -0.95 0.00 0.00 178.83 178.61 2k2b s VAL 23 N -1.48 4.94 -0.38 -0.54 0.11 -0.12 -4.95 120.40 117.99 2k2b s VAL 23 Ca -0.05 1.61 0.05 0.00 -2.93 0.00 0.00 61.98 60.65 2k2b s VAL 23 Cb 0.01 -4.11 0.59 0.00 -1.53 0.00 0.00 36.38 31.33 2k2b s VAL 23 CO 0.08 0.26 1.73 0.00 -3.33 0.00 0.00 175.10 173.84 2k2b n TYR 24 N 3.56 2.44 -2.03 1.54 4.11 -1.26 -4.62 117.16 120.90 2k2b n TYR 24 Ca -0.00 -1.45 -0.25 0.00 -0.00 0.00 0.00 57.90 56.20 2k2b n TYR 24 Cb 0.51 -0.77 0.16 0.00 -0.00 0.00 0.00 39.34 39.24 2k2b n TYR 24 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2k2b n GLY 25 N -0.64 -0.87 3.64 -7.48 0.00 -1.26 -4.93 105.19 93.65 2k2b n GLY 25 Ca 0.46 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 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 -5.16 2.64 0.29 1.61 1.11 -1.26 -4.81 116.67 111.09 2k2b s ASP 26 Ca 0.65 1.88 -0.01 0.00 0.18 0.00 0.00 52.55 55.24 2k2b s ASP 26 Cb -0.02 -2.44 0.65 0.00 1.07 0.00 0.00 42.92 42.18 2k2b s ASP 26 CO 0.45 -3.23 1.58 -0.65 1.18 0.00 0.00 175.17 174.50 2k2b h PRO 27 N -1.95 0.02 -0.23 8.23 0.11 -2.00 0.21 132.00 136.39 2k2b h PRO 27 Ca -0.49 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.67 2k2b h PRO 27 Cb 1.28 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2k2b h PRO 27 CO 0.47 0.01 0.16 -0.07 -0.21 0.00 0.00 178.00 178.36 2k2b h LEU 28 N 0.02 0.06 0.00 2.35 4.07 -1.97 -2.23 115.31 117.60 2k2b h LEU 28 Ca 0.55 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.51 2k2b h LEU 28 Cb 1.06 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.79 2k2b h LEU 28 CO -0.91 0.04 0.00 0.00 -1.08 0.00 0.00 178.44 176.49 2k2b n ALA 29 N -2.56 -0.24 0.06 1.53 0.00 0.75 -0.50 120.51 119.54 2k2b n ALA 29 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 2k2b n ALA 29 Cb 0.26 0.09 0.26 0.00 0.00 0.00 0.00 19.45 20.06 2k2b n ALA 29 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 2k2b h TYR 30 N 0.00 0.41 -0.40 0.00 -0.00 -1.68 0.11 116.97 115.40 2k2b h TYR 30 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 58.73 58.64 2k2b h TYR 30 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 36.73 36.61 2k2b h TYR 30 CO -0.02 0.59 0.21 1.25 -0.00 0.00 0.00 178.16 180.18 2k2b h LEU 31 N 0.33 0.51 0.00 0.10 5.85 -1.42 -2.37 115.31 118.31 2k2b h LEU 31 Ca 0.05 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 2k2b h LEU 31 Cb 0.61 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 2k2b h LEU 31 CO 0.04 0.47 -0.47 1.56 -0.34 0.00 0.00 178.44 179.71 2k2b h GLN 32 N 0.51 0.00 -0.70 1.25 1.08 -0.68 -1.44 115.11 115.13 2k2b h GLN 32 Ca 0.14 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.29 2k2b h GLN 32 Cb 0.08 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 2k2b h GLN 32 CO -0.02 0.08 0.26 1.49 -0.95 0.00 0.00 178.83 179.69 2k2b h GLU 33 N 0.00 1.05 0.11 1.46 4.81 -0.56 0.65 114.58 122.09 2k2b h GLU 33 Ca -0.01 -0.19 -0.31 0.00 -0.13 0.00 0.00 59.36 58.72 2k2b h GLU 33 Cb 1.09 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 2k2b h GLU 33 CO 0.01 0.87 -1.56 0.00 -0.73 0.00 0.00 179.01 177.59 2k2b h THR 34 N 1.02 1.11 0.17 0.32 1.03 -1.47 -2.79 112.91 112.29 2k2b h THR 34 Ca 0.23 -2.76 -0.01 0.00 -0.01 0.00 0.00 66.41 63.86 2k2b h THR 34 Cb 0.23 2.73 0.00 0.00 -1.07 0.00 0.00 68.15 70.04 2k2b h THR 34 CO -0.02 0.81 -0.08 0.74 -0.01 0.00 0.00 175.52 176.96 2k2b h THR 35 N 0.07 0.00 0.02 0.00 2.02 -1.15 -3.38 112.91 110.49 2k2b h THR 35 Ca -0.25 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 2k2b h THR 35 Cb 2.02 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 2k2b h THR 35 CO 0.15 0.00 -0.01 0.11 0.37 0.00 0.00 175.52 176.15 2k2b h LYS 36 N -0.60 -0.03 -6.00 6.66 1.79 0.05 -3.48 116.57 114.97 2k2b h LYS 36 Ca -0.02 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 58.03 2k2b h LYS 36 Cb 0.17 0.01 0.07 0.00 -1.58 0.00 0.00 32.23 30.90 2k2b h LYS 36 CO 0.04 0.27 -0.75 0.34 -1.08 0.00 0.00 179.45 178.27 2k2b n PHE 37 N -4.96 -2.38 -1.73 -1.35 7.35 -0.86 -4.12 117.46 109.42 2k2b n PHE 37 Ca -0.08 0.93 -0.00 0.00 -0.76 0.00 0.00 57.45 57.54 2k2b n PHE 37 Cb 0.17 -4.60 0.00 0.00 0.35 0.00 0.00 39.48 35.40 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 -4.59 -3.83 0.00 -2.13 0.31 -1.26 -5.00 118.33 101.83 2k2b n VAL 38 Ca -0.10 0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 2k2b n VAL 38 Cb 0.60 -4.56 0.00 0.00 -0.91 0.00 0.00 33.84 28.97 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 -0.00 0.00 -2.90 2.52 -2.24 -1.26 -5.04 114.28 105.35 2k2b n THR 39 Ca 0.01 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.72 2k2b n THR 39 Cb 0.02 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.27 2k2b n THR 39 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k2b n GLU 40 N -1.04 0.79 -0.33 -0.78 -0.58 -1.26 -4.88 120.64 112.55 2k2b n GLU 40 Ca 0.00 -1.01 0.22 0.00 -0.42 0.00 0.00 57.16 55.95 2k2b n GLU 40 Cb 0.00 -0.10 0.44 0.00 -0.57 0.00 0.00 31.44 31.20 2k2b n GLU 40 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 2k2b h ARG 41 N 0.00 0.25 -0.58 3.49 0.11 -2.03 0.36 114.38 115.98 2k2b h ARG 41 Ca -0.09 -0.01 0.09 0.00 0.10 0.00 0.00 59.98 60.06 2k2b h ARG 41 Cb 0.41 -0.06 -0.07 0.00 1.11 0.00 0.00 29.97 31.36 2k2b h ARG 41 CO 0.13 0.16 0.20 0.93 0.10 0.00 0.00 179.97 181.49 2k2b h GLU 42 N 0.26 0.37 -0.21 0.08 5.08 -1.95 0.63 114.58 118.83 2k2b h GLU 42 Ca 0.70 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 59.10 2k2b h GLU 42 Cb 1.58 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 2k2b h GLU 42 CO -0.65 0.24 0.18 -0.92 -1.00 0.00 0.00 179.01 176.87 2k2b h TYR 43 N 0.38 0.00 0.07 4.33 3.20 -0.63 0.19 116.97 124.50 2k2b h TYR 43 Ca 0.29 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.82 2k2b h TYR 43 Cb 0.37 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 2k2b h TYR 43 CO -0.18 0.00 -1.94 0.66 -1.64 0.00 0.00 178.16 175.06 2k2b n TYR 44 N -4.13 1.05 0.36 -3.82 4.01 0.99 -3.95 117.16 111.66 2k2b n TYR 44 Ca 0.02 0.27 0.04 0.00 -0.16 0.00 0.00 57.90 58.07 2k2b n TYR 44 Cb 0.32 -1.16 -0.04 0.00 -0.31 0.00 0.00 39.34 38.15 2k2b n TYR 44 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 2k2b n GLU 45 N -3.29 4.39 -0.03 -0.72 0.28 0.18 -2.82 120.64 118.64 2k2b n GLU 45 Ca -0.28 -0.02 0.00 0.00 -0.16 0.00 0.00 57.16 56.70 2k2b n GLU 45 Cb 1.05 -0.86 -0.08 0.00 1.43 0.00 0.00 31.44 32.97 2k2b n GLU 45 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2k2b n ASP 46 N -1.14 2.50 -4.35 -1.84 9.92 0.61 -4.90 116.55 117.35 2k2b n ASP 46 Ca 0.02 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.85 2k2b n ASP 46 Cb 0.12 1.13 -0.09 0.00 -0.64 0.00 0.00 41.12 41.64 2k2b n ASP 46 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2k2b s PHE 47 N -2.51 3.28 0.00 1.24 0.40 -0.93 -4.81 117.98 114.65 2k2b s PHE 47 Ca -0.04 -1.11 0.00 0.00 -0.60 0.00 0.00 56.93 55.17 2k2b s PHE 47 Cb 0.05 -2.96 0.00 0.00 0.51 0.00 0.00 43.02 40.62 2k2b s PHE 47 CO 0.43 -0.78 0.00 0.41 0.70 0.00 0.00 175.22 175.98 2k2b n GLY 48 N 5.07 4.79 3.98 4.36 0.00 -1.26 -4.28 105.19 117.86 2k2b n GLY 48 Ca -0.11 -0.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 2k2b n GLY 48 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2k2b s TYR 49 N 0.33 1.61 0.00 1.61 1.13 -1.26 -4.01 117.35 116.76 2k2b s TYR 49 Ca 0.00 -0.19 0.00 0.00 -1.41 0.00 0.00 57.07 55.47 2k2b s TYR 49 Cb 0.00 -3.13 0.00 0.00 -1.10 0.00 0.00 41.96 37.73 2k2b s TYR 49 CO 0.00 -1.82 0.00 0.41 -2.51 0.00 0.00 175.55 171.63 2k2b n GLY 50 N -2.95 0.73 3.16 5.49 0.00 -1.26 -2.42 105.19 107.94 2k2b n GLY 50 Ca 0.15 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 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 8.35 3.94 -1.61 1.61 -0.58 -1.26 -4.59 120.64 126.50 2k2b n GLU 51 Ca 0.00 -4.51 -0.19 0.00 -0.42 0.00 0.00 57.16 52.04 2k2b n GLU 51 Cb 0.00 -2.52 -0.08 0.00 -0.57 0.00 0.00 31.44 28.27 2k2b n GLU 51 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k2b n PHE 53 N -2.37 -1.53 -2.32 0.00 7.35 -1.01 -4.67 117.46 112.90 2k2b n PHE 53 Ca -0.19 0.21 -0.34 0.00 -0.76 0.00 0.00 57.45 56.36 2k2b n PHE 53 Cb 0.63 -3.40 -0.01 0.00 0.35 0.00 0.00 39.48 37.06 2k2b n PHE 53 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 2k2b s ASN 54 N -2.32 5.93 0.29 -2.13 3.84 -0.67 -4.90 114.94 114.98 2k2b s ASN 54 Ca 0.15 2.04 0.04 0.00 0.21 0.00 0.00 52.86 55.30 2k2b s ASN 54 Cb -0.07 -2.57 0.74 0.00 -0.55 0.00 0.00 41.25 38.80 2k2b s ASN 54 CO 0.18 -1.07 1.69 0.77 -2.79 0.00 0.00 177.10 175.89 2k2b h SER 55 N 1.20 0.33 -5.02 -4.21 4.64 -1.92 -3.41 113.55 105.16 2k2b h SER 55 Ca -0.49 0.16 -0.16 0.00 -0.47 0.00 0.00 61.79 60.83 2k2b h SER 55 Cb 1.24 0.14 -0.20 0.00 -0.31 0.00 0.00 62.40 63.27 2k2b h SER 55 CO 0.58 -0.01 -0.64 0.42 -0.87 0.00 0.00 176.83 176.30 2k2b s THR 56 N -5.88 0.12 0.25 2.95 -4.23 -1.26 -5.14 115.64 102.46 2k2b s THR 56 Ca -0.12 -1.00 -0.31 0.00 -1.18 0.00 0.00 61.69 59.08 2k2b s THR 56 Cb 0.25 -0.50 -0.12 0.00 1.34 0.00 0.00 72.50 73.47 2k2b s THR 56 CO 0.78 -0.55 1.67 -1.84 -0.54 0.00 0.00 174.62 174.13 2k2b n GLU 57 N 1.31 2.76 -2.15 3.99 0.28 -1.26 -5.00 120.64 120.56 2k2b n GLU 57 Ca -0.22 0.99 -0.28 0.00 -0.16 0.00 0.00 57.16 57.49 2k2b n GLU 57 Cb 0.56 -2.81 0.17 0.00 1.43 0.00 0.00 31.44 30.79 2k2b n GLU 57 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k2b s SER 58 N 0.84 3.45 0.20 -1.84 0.15 -1.26 -4.94 113.70 110.29 2k2b s SER 58 Ca 0.69 0.02 0.19 0.00 0.70 0.00 0.00 55.95 57.56 2k2b s SER 58 Cb -0.50 -0.15 0.86 0.00 -1.71 0.00 0.00 66.02 64.52 2k2b s SER 58 CO 0.40 -2.49 1.58 -1.84 1.20 0.00 0.00 173.24 172.09 2k2b n GLU 59 N -3.49 0.12 -4.01 5.44 0.28 -1.26 -4.44 120.64 113.29 2k2b n GLU 59 Ca 0.16 0.45 -0.35 0.00 -0.16 0.00 0.00 57.16 57.26 2k2b n GLU 59 Cb 0.60 -1.78 -0.14 0.00 1.43 0.00 0.00 31.44 31.54 2k2b n GLU 59 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2k2b s VAL 60 N -3.28 3.35 0.35 3.84 0.11 -1.26 -5.12 120.40 118.39 2k2b s VAL 60 Ca 0.03 -0.51 -0.02 0.00 -2.93 0.00 0.00 61.98 58.55 2k2b s VAL 60 Cb 0.08 -2.51 -0.04 0.00 -1.53 0.00 0.00 36.38 32.38 2k2b s VAL 60 CO 0.28 0.44 0.60 -1.10 -3.33 0.00 0.00 175.10 171.99 2k2b s GLN 61 N 1.32 3.54 0.00 1.54 1.11 -1.26 -4.99 119.66 120.92 2k2b s GLN 61 Ca 0.04 -0.12 0.00 0.00 0.01 0.00 0.00 55.36 55.28 2k2b s GLN 61 Cb -0.14 -2.60 0.00 0.00 -1.01 0.00 0.00 33.01 29.26 2k2b s GLN 61 CO -0.02 0.10 0.21 0.00 0.01 0.00 0.00 175.29 175.59 2k2b n GLU 63 N -0.30 0.38 0.29 0.00 -0.00 -1.26 -1.81 120.64 117.94 2k2b n GLU 63 Ca 0.00 0.04 0.14 0.00 -0.00 0.00 0.00 57.16 57.33 2k2b n GLU 63 Cb 0.00 -1.50 0.86 0.00 -0.00 0.00 0.00 31.44 30.80 2k2b n GLU 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2k2b h LEU 64 N 0.00 0.00 -2.32 -1.84 5.85 -1.95 -3.47 115.31 111.58 2k2b h LEU 64 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2k2b h LEU 64 Cb 0.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2k2b h LEU 64 CO 0.00 0.00 -0.50 -0.38 -0.34 0.00 0.00 178.44 177.22 2k2b n ILE 65 N -4.00-10.92 -0.07 4.05 5.41 -0.75 -5.00 119.36 108.08 2k2b n ILE 65 Ca -0.03 0.84 -0.22 0.00 1.00 0.00 0.00 62.75 64.34 2k2b n ILE 65 Cb 0.08 -7.21 -0.12 0.00 -0.71 0.00 0.00 39.64 31.68 2k2b n ILE 65 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2k2b n THR 66 N -0.35 1.61 0.00 1.39 -2.24 -1.26 -4.91 114.28 108.52 2k2b n THR 66 Ca 0.11 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2k2b n THR 66 Cb 0.47 -1.94 0.00 0.00 -2.10 0.00 0.00 70.33 66.76 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 1.60 1.27 0.00 3.38 0.00 -1.26 -4.93 105.19 105.26 2k2b n GLY 67 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.98 1.61 4.71 -1.26 -3.55 120.64 119.18 2k2b n GLU 68 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 57.05 2k2b n GLU 68 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 31.44 30.44 2k2b n GLU 68 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 2k2b n PHE 69 N -0.54 -3.08 -4.27 -0.32 3.72 -1.26 -4.74 117.46 106.97 2k2b n PHE 69 Ca 0.00 1.29 -0.20 0.00 -0.05 0.00 0.00 57.45 58.50 2k2b n PHE 69 Cb 0.00 -3.28 -0.16 0.00 -0.94 0.00 0.00 39.48 35.11 2k2b n PHE 69 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k2b s ASP 70 N -1.93 1.02 0.42 4.37 2.15 -1.26 -5.04 116.67 116.39 2k2b s ASP 70 Ca 0.17 -0.15 0.22 0.00 0.43 0.00 0.00 52.55 53.22 2k2b s ASP 70 Cb -0.04 -0.35 0.88 0.00 -0.30 0.00 0.00 42.92 43.11 2k2b s ASP 70 CO 0.70 0.01 1.82 -0.65 -0.17 0.00 0.00 175.17 176.89 2k2b h PRO 71 N 6.68 0.00 0.00 4.34 0.11 -1.96 -3.04 132.00 138.12 2k2b h PRO 71 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2k2b h PRO 71 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2k2b h PRO 71 CO 0.48 0.28 -0.07 -0.22 -0.21 0.00 0.00 178.00 178.26 2k2b h LYS 72 N 0.00 0.00 0.72 1.05 3.64 -2.03 -3.36 116.57 116.59 2k2b h LYS 72 Ca -0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2k2b h LYS 72 Cb 0.75 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 2k2b h LYS 72 CO 0.04 0.00 -0.48 1.25 -2.27 0.00 0.00 179.45 177.99 2k2b h LEU 73 N 0.00 -1.23 -9.45 5.20 5.85 -1.97 -3.45 115.31 110.27 2k2b h LEU 73 Ca 0.00 0.07 -0.65 0.00 0.84 0.00 0.00 57.88 58.14 2k2b h LEU 73 Cb 0.86 0.37 -0.12 0.00 0.37 0.00 0.00 40.66 42.14 2k2b h LEU 73 CO 0.00 -0.72 -0.67 -1.48 -0.34 0.00 0.00 178.44 175.23 2k2b s LEU 74 N -10.07 3.41 0.98 2.25 2.34 -1.26 -5.03 118.68 111.30 2k2b s LEU 74 Ca -0.19 -0.21 -0.16 0.00 0.06 0.00 0.00 54.13 53.63 2k2b s LEU 74 Cb 0.03 -2.15 0.21 0.00 -0.56 0.00 0.00 46.19 43.72 2k2b s LEU 74 CO 0.61 0.17 1.31 -2.16 -1.06 0.00 0.00 176.35 175.22 2k2b s PRO 75 N -2.31 0.50 -0.68 1.48 0.04 -1.26 -5.01 135.00 127.76 2k2b s PRO 75 Ca 0.25 -0.38 -0.20 0.00 0.04 0.00 0.00 61.00 60.72 2k2b s PRO 75 Cb -0.12 -1.83 0.11 0.00 0.04 0.00 0.00 34.50 32.70 2k2b s PRO 75 CO 0.18 -2.51 0.85 0.71 0.04 0.00 0.00 177.00 176.27 2k2b s TYR 76 N -3.82 2.98 -0.28 0.56 2.02 -1.26 -4.87 117.35 112.68 2k2b s TYR 76 Ca 0.74 -1.00 -0.08 0.00 -0.37 0.00 0.00 57.07 56.36 2k2b s TYR 76 Cb -0.04 -4.12 -0.01 0.00 -0.40 0.00 0.00 41.96 37.38 2k2b s TYR 76 CO 0.53 -1.41 0.10 -0.51 -1.57 0.00 0.00 175.55 172.69 2k2b s ASP 77 N 3.55 5.26 0.00 2.29 1.11 -1.26 -5.04 116.67 122.58 2k2b s ASP 77 Ca 0.18 -0.44 0.00 0.00 0.18 0.00 0.00 52.55 52.47 2k2b s ASP 77 Cb -0.18 -1.94 0.00 0.00 1.07 0.00 0.00 42.92 41.87 2k2b s ASP 77 CO 0.04 -0.13 0.80 0.29 1.18 0.00 0.00 175.17 177.34 2k2b n LYS 78 N 4.93 0.00 0.09 8.23 5.02 -1.26 0.13 118.16 135.30 2k2b n LYS 78 Ca -0.15 0.71 -0.05 0.00 -2.02 0.00 0.00 58.31 56.80 2k2b n LYS 78 Cb 0.50 -1.30 -0.00 0.00 -0.02 0.00 0.00 35.03 34.21 2k2b n LYS 78 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 2k2b h ARG 79 N 0.00 0.01 0.01 1.97 -0.00 -1.99 -2.17 114.38 112.21 2k2b h ARG 79 Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.98 59.96 2k2b h ARG 79 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 2k2b h ARG 79 CO 0.00 0.85 -0.01 -0.07 -0.00 0.00 0.00 179.97 180.75 2k2b h LEU 80 N 0.01 -0.01 -0.79 0.08 4.07 -1.91 -2.46 115.31 114.29 2k2b h LEU 80 Ca -0.01 -0.35 -0.09 0.00 0.08 0.00 0.00 57.88 57.51 2k2b h LEU 80 Cb 1.50 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.22 2k2b h LEU 80 CO 0.11 0.34 -0.06 0.00 -1.08 0.00 0.00 178.44 177.75 2k2b h ALA 81 N 0.62 0.99 -0.34 1.53 0.00 -0.37 -2.48 119.26 119.21 2k2b h ALA 81 Ca -0.00 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.66 2k2b h ALA 81 Cb 0.36 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2k2b h ALA 81 CO 0.00 0.61 -0.00 2.35 0.00 0.00 0.00 179.25 182.21 2k2b h TRP 82 N 0.77 -0.02 0.02 0.00 2.91 -1.40 0.25 115.95 118.47 2k2b h TRP 82 Ca 0.14 0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.21 2k2b h TRP 82 Cb 0.55 0.06 -0.05 0.00 -0.51 0.00 0.00 29.16 29.21 2k2b h TRP 82 CO 0.03 -0.06 -0.36 1.25 -1.03 0.00 0.00 178.44 178.27 2k2b h HIS 83 N 0.09 -0.99 -0.60 2.65 2.76 -1.18 -0.82 115.15 117.06 2k2b h HIS 83 Ca 0.16 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.31 2k2b h HIS 83 Cb 0.22 0.43 -0.03 0.00 1.55 0.00 0.00 27.41 29.59 2k2b h HIS 83 CO -0.24 -0.45 0.17 0.74 -1.30 0.00 0.00 177.93 176.85 2k2b h PHE 84 N -0.52 0.94 0.70 5.26 0.04 -1.14 -0.62 116.94 121.60 2k2b h PHE 84 Ca 0.05 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.71 2k2b h PHE 84 Cb 0.60 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 38.47 2k2b h PHE 84 CO -0.36 0.77 -0.42 0.87 -0.60 0.00 0.00 178.31 178.57 2k2b h LYS 85 N 0.89 -1.01 -0.10 1.51 1.57 -0.21 -1.71 116.57 117.51 2k2b h LYS 85 Ca 0.20 0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 59.01 2k2b h LYS 85 Cb 0.28 0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 2k2b h LYS 85 CO -0.01 -0.67 -0.07 1.49 -0.57 0.00 0.00 179.45 179.62 2k2b h GLU 86 N -1.04 0.22 -0.03 3.15 4.57 -1.09 0.82 114.58 121.18 2k2b h GLU 86 Ca -0.09 -0.11 -0.14 0.00 -1.18 0.00 0.00 59.36 57.84 2k2b h GLU 86 Cb 0.83 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.41 2k2b h GLU 86 CO 0.10 0.62 -0.61 0.35 -1.18 0.00 0.00 179.01 178.28 2k2b h PHE 87 N -0.17 0.14 0.00 0.92 3.57 -1.22 -1.39 116.94 118.78 2k2b h PHE 87 Ca 0.02 -0.05 -0.28 0.00 3.53 0.00 0.00 57.97 61.18 2k2b h PHE 87 Cb 0.56 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.23 2k2b h PHE 87 CO 0.08 0.69 -2.06 0.00 -2.23 0.00 0.00 178.31 174.79 2k2b n TYR 89 N -2.71 0.00 -2.34 0.00 9.36 0.12 -4.70 117.16 116.88 2k2b n TYR 89 Ca -0.28 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 60.93 2k2b n TYR 89 Cb 0.96 -0.11 -0.01 0.00 -0.63 0.00 0.00 39.34 39.55 2k2b n TYR 89 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2k2b n LYS 90 N -1.70 -4.87 -0.00 2.98 0.00 0.24 -4.23 118.16 110.59 2k2b n LYS 90 Ca -0.01 3.58 0.02 0.00 0.00 0.00 0.00 58.31 61.89 2k2b n LYS 90 Cb 0.16 -4.61 -0.02 0.00 0.00 0.00 0.00 35.03 30.56 2k2b n LYS 90 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2k2b n THR 91 N 1.73 0.00 -2.51 3.15 -2.24 -1.26 -4.93 114.28 108.21 2k2b n THR 91 Ca -0.08 -0.31 -0.29 0.00 -2.27 0.00 0.00 64.05 61.11 2k2b n THR 91 Cb 0.13 0.81 -0.00 0.00 -2.10 0.00 0.00 70.33 69.17 2k2b n THR 91 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2k2b s SER 92 N -1.71 6.29 0.00 3.42 0.01 -1.26 -5.01 113.70 115.44 2k2b s SER 92 Ca 0.01 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.32 2k2b s SER 92 Cb 0.03 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.95 2k2b s SER 92 CO 0.16 -0.61 0.69 0.00 0.41 0.00 0.00 173.24 173.89 2k2b n ALA 93 N -2.23 1.56 -2.69 1.44 0.00 -1.26 -4.66 120.51 112.67 2k2b n ALA 93 Ca 0.02 -0.64 -0.31 0.00 0.00 0.00 0.00 53.44 52.50 2k2b n ALA 93 Cb 0.55 -0.23 -0.08 0.00 0.00 0.00 0.00 19.45 19.68 2k2b n ALA 93 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2k2b s HIS 94 N 0.00 3.05 -1.29 0.00 3.76 -1.26 -5.03 115.29 114.52 2k2b s HIS 94 Ca 0.00 0.04 -0.12 0.00 -0.15 0.00 0.00 55.06 54.83 2k2b s HIS 94 Cb 0.00 -1.61 -0.06 0.00 1.11 0.00 0.00 32.58 32.02 2k2b s HIS 94 CO 0.00 0.47 2.41 0.41 -0.85 0.00 0.00 174.74 177.18 2k2b n GLY 95 N 1.00 3.79 3.10 -2.22 0.00 -1.26 -4.83 105.19 104.77 2k2b n GLY 95 Ca -0.13 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 2k2b n GLY 95 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k2b s ILE 96 N 3.17 2.66 -0.20 -0.61 -4.36 -1.26 -4.87 121.20 115.72 2k2b s ILE 96 Ca 0.55 -1.81 0.00 0.00 -0.26 0.00 0.00 60.65 59.13 2k2b s ILE 96 Cb 0.15 -2.70 0.00 0.00 1.25 0.00 0.00 42.46 41.16 2k2b s ILE 96 CO -0.04 -0.32 0.06 -2.65 0.24 0.00 0.00 174.94 172.24 2k2b n PRO 97 N 4.48 0.07 -3.49 0.37 -0.02 -1.26 -4.64 135.00 130.50 2k2b n PRO 97 Ca -0.07 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.32 2k2b n PRO 97 Cb 0.42 -1.38 -0.02 0.00 -0.02 0.00 0.00 33.50 32.50 2k2b n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k2b s MET 98 N 0.54 0.94 0.00 -0.52 0.23 -1.26 -4.76 119.30 114.47 2k2b s MET 98 Ca 0.00 -0.35 -0.03 0.00 -1.03 0.00 0.00 55.69 54.27 2k2b s MET 98 Cb 0.00 0.43 -0.15 0.00 -1.53 0.00 0.00 34.83 33.58 2k2b s MET 98 CO 0.00 -0.41 2.68 0.44 -2.03 0.00 0.00 175.02 175.70 2k2b n ILE 99 N -0.28 2.30 0.00 3.16 -5.35 -1.13 -4.67 119.36 113.39 2k2b n ILE 99 Ca -0.11 -0.98 0.00 0.00 -0.27 0.00 0.00 62.75 61.39 2k2b n ILE 99 Cb 0.62 -1.75 0.00 0.00 -1.74 0.00 0.00 39.64 36.78 2k2b n ILE 99 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k2b n GLY 100 N 2.18 2.47 3.25 3.28 0.00 -1.26 -5.07 105.19 110.04 2k2b n GLY 100 Ca 0.23 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.99 2k2b n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k2b s GLU 101 N 3.73 2.57 -0.43 1.61 2.12 -1.26 -5.01 118.70 122.03 2k2b s GLU 101 Ca 0.00 -1.56 0.02 0.00 0.36 0.00 0.00 54.97 53.79 2k2b s GLU 101 Cb 0.00 -3.83 0.14 0.00 0.26 0.00 0.00 34.13 30.69 2k2b s GLU 101 CO 0.00 -1.03 0.24 0.00 -0.54 0.00 0.00 175.26 173.92 2k2b s ALA 102 N 1.41 2.03 0.57 6.30 0.00 -1.26 -4.99 121.76 125.81 2k2b s ALA 102 Ca 0.04 -2.52 0.00 0.00 0.00 0.00 0.00 51.96 49.48 2k2b s ALA 102 Cb -0.24 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.02 2k2b s ALA 102 CO 0.01 -2.07 0.00 -0.35 0.00 0.00 0.00 175.76 173.35 2k2b n PRO 103 N 3.59 1.32 -1.58 0.00 -0.04 -1.26 -4.30 135.00 132.74 2k2b n PRO 103 Ca 0.09 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.11 2k2b n PRO 103 Cb 0.35 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.77 2k2b n PRO 103 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2k2b n LEU 104 N 0.00 3.07 -0.03 1.53 7.94 -1.26 -4.80 117.00 123.44 2k2b n LEU 104 Ca 0.00 0.19 0.01 0.00 -1.11 0.00 0.00 56.01 55.11 2k2b n LEU 104 Cb 0.00 -1.52 0.02 0.00 0.53 0.00 0.00 43.42 42.45 2k2b n LEU 104 CO 0.00 -0.74 0.43 -1.84 -1.11 0.00 0.00 177.39 174.13 2k2b n GLU 105 N 8.71 1.87 0.00 1.96 -0.00 -1.26 -4.84 120.64 127.08 2k2b n GLU 105 Ca 0.32 -1.34 0.07 0.00 -0.00 0.00 0.00 57.16 56.20 2k2b n GLU 105 Cb 0.42 -0.90 0.37 0.00 -0.00 0.00 0.00 31.44 31.33 2k2b n GLU 105 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2k2b n HIS 106 N -0.46 0.00 -1.40 -1.84 8.25 -1.26 -0.25 115.22 118.27 2k2b n HIS 106 Ca 0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.46 2k2b n HIS 106 Cb 0.38 -0.22 0.20 0.00 1.12 0.00 0.00 29.99 31.48 2k2b n HIS 106 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k2b n HIS 107 N -1.22 1.02 -1.55 4.41 8.25 -1.26 -5.07 115.22 119.80 2k2b n HIS 107 Ca 0.08 -1.51 -0.43 0.00 -0.26 0.00 0.00 57.72 55.60 2k2b n HIS 107 Cb 0.10 -0.46 -0.00 0.00 1.12 0.00 0.00 29.99 30.75 2k2b n HIS 107 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2k2b n HIS 108 N -1.07 0.64 -2.14 4.41 1.44 0.66 -2.59 115.22 116.57 2k2b n HIS 108 Ca 0.31 0.64 -0.21 0.00 -2.01 0.00 0.00 57.72 56.45 2k2b n HIS 108 Cb 1.00 -2.15 -0.04 0.00 0.12 0.00 0.00 29.99 28.93 2k2b n HIS 108 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2k2b n HIS 109 N -0.36 -0.67 0.10 -1.40 8.25 -1.26 -4.86 115.22 115.02 2k2b n HIS 109 Ca 0.11 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.68 2k2b n HIS 109 Cb 0.36 -3.81 -0.03 0.00 1.12 0.00 0.00 29.99 27.63 2k2b n HIS 109 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k2b n HIS 110 N -3.50 0.78 1.49 4.41 -0.00 -1.07 -5.29 115.22 112.05 2k2b n HIS 110 Ca -0.24 0.23 0.14 0.00 -0.00 0.00 0.00 57.72 57.85 2k2b n HIS 110 Cb 0.69 -0.87 0.52 0.00 -0.00 0.00 0.00 29.99 30.33 2k2b n HIS 110 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92