#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 -0.42 -0.92 7.83 4.64 -1.94 -0.38 113.55 122.36 2k2b h SER 2 Ca 0.00 0.14 0.09 0.00 -0.47 0.00 0.00 61.79 61.56 2k2b h SER 2 Cb 0.00 0.29 -0.07 0.00 -0.31 0.00 0.00 62.40 62.31 2k2b h SER 2 CO 0.00 -0.15 0.56 4.11 -0.87 0.00 0.00 176.83 180.48 2k2b h TRP 3 N 0.02 1.03 -0.69 4.77 0.09 -1.96 -0.84 115.95 118.36 2k2b h TRP 3 Ca 0.24 0.03 -0.04 0.00 0.09 0.00 0.00 58.89 59.21 2k2b h TRP 3 Cb 0.37 -0.32 -0.03 0.00 0.08 0.00 0.00 29.16 29.25 2k2b h TRP 3 CO -0.40 0.45 0.27 1.98 0.09 0.00 0.00 178.44 180.82 2k2b h MET 4 N 0.95 1.02 0.57 0.12 4.05 -1.50 0.12 114.93 120.26 2k2b h MET 4 Ca 0.43 -0.18 -0.03 0.00 -0.28 0.00 0.00 59.70 59.65 2k2b h MET 4 Cb 0.34 -0.17 0.01 0.00 -0.80 0.00 0.00 31.60 30.98 2k2b h MET 4 CO -0.23 0.84 -0.27 1.96 0.23 0.00 0.00 176.91 179.43 2k2b h GLN 5 N 1.00 -0.74 0.00 0.39 4.20 -0.61 -2.13 115.11 117.22 2k2b h GLN 5 Ca 0.23 0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 2k2b h GLN 5 Cb 0.20 0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 2k2b h GLN 5 CO -0.02 -0.47 -0.02 -0.97 -0.67 0.00 0.00 178.83 176.69 2k2b h ASN 6 N -0.84 0.00 0.17 1.46 -0.73 -0.82 0.28 115.58 115.09 2k2b h ASN 6 Ca -0.08 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.08 2k2b h ASN 6 Cb 0.62 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.21 2k2b h ASN 6 CO 0.13 0.02 -0.08 0.25 -0.37 0.00 0.00 177.43 177.38 2k2b h LEU 7 N 0.00 -0.19 -1.71 0.34 5.85 -0.40 -3.24 115.31 115.96 2k2b h LEU 7 Ca -0.00 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2k2b h LEU 7 Cb 0.07 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.15 2k2b h LEU 7 CO 0.00 0.29 0.00 0.29 -0.34 0.00 0.00 178.44 178.68 2k2b n LYS 8 N -4.97 2.08 -0.85 1.25 4.01 -0.83 -4.66 118.16 114.19 2k2b n LYS 8 Ca -0.08 -1.67 -0.32 0.00 -0.51 0.00 0.00 58.31 55.72 2k2b n LYS 8 Cb 0.26 -1.37 -0.04 0.00 -0.51 0.00 0.00 35.03 33.37 2k2b n LYS 8 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2k2b n ASN 9 N 0.86 3.10 -2.72 4.39 5.15 0.95 -4.32 115.26 122.68 2k2b n ASN 9 Ca 0.16 -2.48 -0.04 0.00 -0.60 0.00 0.00 54.58 51.62 2k2b n ASN 9 Cb 0.40 -1.01 0.02 0.00 -0.53 0.00 0.00 39.78 38.66 2k2b n ASN 9 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k2b n TYR 10 N 6.15 -2.33 -2.00 1.20 9.36 -1.26 -4.23 117.16 124.06 2k2b n TYR 10 Ca 0.43 -1.04 -0.36 0.00 3.32 0.00 0.00 57.90 60.25 2k2b n TYR 10 Cb 0.27 1.30 -0.04 0.00 -0.63 0.00 0.00 39.34 40.24 2k2b n TYR 10 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 2k2b n GLN 11 N 2.68 2.12 0.00 2.98 3.00 -1.26 -3.97 117.38 122.92 2k2b n GLN 11 Ca 0.14 -2.58 0.00 0.00 -0.01 0.00 0.00 57.00 54.55 2k2b n GLN 11 Cb 0.61 -3.48 0.00 0.00 0.00 0.00 0.00 30.24 27.37 2k2b n GLN 11 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 2k2b n HIS 12 N 10.77 0.00 -4.93 1.08 -0.00 -1.26 -5.03 115.22 115.85 2k2b n HIS 12 Ca 0.48 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 58.33 2k2b n HIS 12 Cb 0.45 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.17 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 -2.69 2.56 -1.38 0.27 0.20 -1.25 -5.06 118.68 111.33 2k2b s LEU 13 Ca 0.00 -0.34 -0.13 0.00 0.69 0.00 0.00 54.13 54.35 2k2b s LEU 13 Cb 0.00 -1.54 0.09 0.00 -0.43 0.00 0.00 46.19 44.31 2k2b s LEU 13 CO 0.00 0.23 2.03 0.54 -0.29 0.00 0.00 176.35 178.86 2k2b n ARG 14 N 3.09 3.15 -3.24 1.98 1.74 -1.26 -4.92 116.66 117.20 2k2b n ARG 14 Ca -0.18 -3.02 -0.43 0.00 -0.77 0.00 0.00 57.85 53.45 2k2b n ARG 14 Cb 0.52 -3.18 -0.08 0.00 -1.02 0.00 0.00 32.46 28.70 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 2.55 6.26 0.00 0.55 1.01 -1.26 -4.95 116.67 120.84 2k2b s ASP 15 Ca 0.45 -0.41 0.09 0.00 0.71 0.00 0.00 52.55 53.39 2k2b s ASP 15 Cb 0.11 -2.26 0.55 0.00 1.01 0.00 0.00 42.92 42.32 2k2b s ASP 15 CO -0.04 -0.62 1.00 -2.65 0.21 0.00 0.00 175.17 173.07 2k2b n PRO 16 N 5.85 0.51 0.32 8.23 -0.02 -1.26 -3.94 135.00 144.68 2k2b n PRO 16 Ca -0.05 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.30 2k2b n PRO 16 Cb 0.48 -1.28 -0.06 0.00 -0.02 0.00 0.00 33.50 32.61 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 -0.73 -0.07 2.55 4.64 -1.98 -2.45 113.55 115.51 2k2b h SER 17 Ca 0.00 0.03 0.04 0.00 -0.47 0.00 0.00 61.79 61.38 2k2b h SER 17 Cb 0.00 0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.24 2k2b h SER 17 CO 0.00 -0.35 -0.17 1.05 -0.87 0.00 0.00 176.83 176.49 2k2b h GLU 18 N -1.19 -0.23 -0.76 4.77 -0.00 -1.81 -2.33 114.58 113.03 2k2b h GLU 18 Ca -0.09 0.02 0.13 0.00 -0.00 0.00 0.00 59.36 59.42 2k2b h GLU 18 Cb 0.66 0.05 -0.13 0.00 -0.00 0.00 0.00 28.75 29.32 2k2b h GLU 18 CO 0.14 -0.15 -0.35 1.88 -0.00 0.00 0.00 179.01 180.53 2k2b h TYR 19 N -0.24 -0.95 -0.62 2.06 -1.99 -1.78 1.44 116.97 114.88 2k2b h TYR 19 Ca 0.08 0.08 0.05 0.00 2.00 0.00 0.00 58.73 60.94 2k2b h TYR 19 Cb 0.35 0.53 -0.04 0.00 2.00 0.00 0.00 36.73 39.57 2k2b h TYR 19 CO -0.25 -0.39 0.41 1.98 -0.00 0.00 0.00 178.16 179.91 2k2b h MET 20 N -0.09 0.64 0.00 4.88 4.05 -1.05 -1.04 114.93 122.33 2k2b h MET 20 Ca 0.29 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.67 2k2b h MET 20 Cb 0.57 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 2k2b h MET 20 CO -0.81 0.43 -0.72 -1.13 0.23 0.00 0.00 176.91 174.91 2k2b n SER 21 N -4.47 0.62 -0.03 1.39 3.41 0.88 -4.36 113.62 111.06 2k2b n SER 21 Ca 0.08 -0.13 -0.13 0.00 -0.26 0.00 0.00 58.87 58.42 2k2b n SER 21 Cb 0.19 0.41 -0.11 0.00 -0.26 0.00 0.00 64.21 64.44 2k2b n SER 21 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2k2b h GLN 22 N 0.00 0.01 -6.50 4.33 1.08 0.31 -3.45 115.11 110.90 2k2b h GLN 22 Ca 0.00 -0.01 -0.67 0.00 -1.45 0.00 0.00 58.65 56.51 2k2b h GLN 22 Cb 0.65 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 27.91 2k2b h GLN 22 CO 0.00 0.68 -0.75 0.54 -0.95 0.00 0.00 178.83 178.35 2k2b s VAL 23 N -3.53 3.25 -2.03 -0.54 0.11 -1.07 -4.19 120.40 112.41 2k2b s VAL 23 Ca -0.17 -1.13 0.27 0.00 -2.93 0.00 0.00 61.98 58.02 2k2b s VAL 23 Cb 0.00 -2.45 0.34 0.00 -1.53 0.00 0.00 36.38 32.74 2k2b s VAL 23 CO 0.68 0.25 1.60 0.00 -3.33 0.00 0.00 175.10 174.30 2k2b n TYR 24 N 1.16 0.00 -0.59 1.54 9.36 -1.23 -4.90 117.16 122.50 2k2b n TYR 24 Ca -0.15 0.00 -0.21 0.00 3.32 0.00 0.00 57.90 60.87 2k2b n TYR 24 Cb 0.52 -0.08 0.18 0.00 -0.63 0.00 0.00 39.34 39.34 2k2b n TYR 24 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2k2b n GLY 25 N 1.29 -3.15 3.68 2.98 0.00 -1.26 -4.90 105.19 103.83 2k2b n GLY 25 Ca 0.14 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 2k2b n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k2b n ASP 26 N -4.54 2.24 -0.35 1.61 -0.08 -1.24 -4.86 116.55 109.32 2k2b n ASP 26 Ca 0.10 1.09 0.25 0.00 -1.51 0.00 0.00 54.79 54.73 2k2b n ASP 26 Cb 0.41 -1.46 0.50 0.00 2.34 0.00 0.00 41.12 42.91 2k2b n ASP 26 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2k2b h PRO 27 N 1.96 0.32 0.00 -0.67 0.11 -1.91 0.22 132.00 132.02 2k2b h PRO 27 Ca -0.47 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 2k2b h PRO 27 Cb 1.31 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2k2b h PRO 27 CO 0.59 0.21 -0.17 -0.07 -0.21 0.00 0.00 178.00 178.35 2k2b h LEU 28 N 0.32 0.00 0.11 2.35 3.38 -1.92 -2.29 115.31 117.27 2k2b h LEU 28 Ca 0.71 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.68 2k2b h LEU 28 Cb 1.75 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.50 2k2b h LEU 28 CO -0.49 0.17 -0.08 0.00 0.09 0.00 0.00 178.44 178.13 2k2b h ALA 29 N 1.83 -0.90 0.00 1.53 0.00 -0.76 0.82 119.26 121.78 2k2b h ALA 29 Ca -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2k2b h ALA 29 Cb 0.34 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k2b h ALA 29 CO 0.02 -0.90 -0.12 0.10 0.00 0.00 0.00 179.25 178.35 2k2b h TYR 30 N -0.18 0.00 0.48 0.00 -0.00 -1.66 -0.65 116.97 114.96 2k2b h TYR 30 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.69 2k2b h TYR 30 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.89 2k2b h TYR 30 CO 0.01 0.12 -0.23 1.25 -0.00 0.00 0.00 178.16 179.31 2k2b h LEU 31 N 0.00 -0.55 -1.56 0.10 5.85 -1.31 -2.09 115.31 115.75 2k2b h LEU 31 Ca -0.00 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.79 2k2b h LEU 31 Cb 0.53 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 2k2b h LEU 31 CO 0.02 -0.31 0.36 1.56 -0.34 0.00 0.00 178.44 179.73 2k2b h GLN 32 N -0.80 0.54 0.48 1.25 1.08 -0.79 -2.16 115.11 114.71 2k2b h GLN 32 Ca -0.07 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 2k2b h GLN 32 Cb 0.49 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 2k2b h GLN 32 CO 0.11 0.36 -0.45 1.49 -0.95 0.00 0.00 178.83 179.39 2k2b h GLU 33 N 0.55 -0.90 0.00 1.46 4.57 -1.13 0.42 114.58 119.56 2k2b h GLU 33 Ca 0.23 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 2k2b h GLU 33 Cb 0.21 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2k2b h GLU 33 CO -0.06 -0.60 0.00 0.00 -1.18 0.00 0.00 179.01 177.17 2k2b h THR 34 N -0.93 0.00 0.08 0.32 1.03 -1.03 0.43 112.91 112.81 2k2b h THR 34 Ca -0.05 -0.22 -0.31 0.00 -0.01 0.00 0.00 66.41 65.82 2k2b h THR 34 Cb 0.81 1.16 -0.02 0.00 -1.07 0.00 0.00 68.15 69.03 2k2b h THR 34 CO -0.04 0.00 -1.63 0.74 -0.01 0.00 0.00 175.52 174.57 2k2b h THR 35 N 0.00 1.01 0.00 0.00 2.02 -0.83 -3.45 112.91 111.67 2k2b h THR 35 Ca 0.00 -2.72 0.00 0.00 0.77 0.00 0.00 66.41 64.46 2k2b h THR 35 Cb 0.23 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 2k2b h THR 35 CO 0.00 0.76 -0.82 0.29 0.37 0.00 0.00 175.52 176.12 2k2b n LYS 36 N -3.35 0.00 -1.05 6.66 5.02 0.14 -5.09 118.16 120.50 2k2b n LYS 36 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 2k2b n LYS 36 Cb 1.04 -0.57 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 2k2b n LYS 36 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2k2b n PHE 37 N -2.71 0.00 0.00 2.13 7.35 0.15 -4.75 117.46 119.63 2k2b n PHE 37 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2k2b n PHE 37 Cb 0.41 -1.20 0.00 0.00 0.35 0.00 0.00 39.48 39.03 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 0.35 0.00 -2.86 -2.13 0.31 -1.26 -4.82 118.33 107.92 2k2b n VAL 38 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 2k2b n VAL 38 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 2k2b n VAL 38 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2k2b s THR 39 N 0.00 4.60 -0.26 2.52 2.01 -1.26 -4.86 115.64 118.38 2k2b s THR 39 Ca 0.00 -1.50 -0.31 0.00 0.31 0.00 0.00 61.69 60.19 2k2b s THR 39 Cb 0.00 -4.84 0.18 0.00 0.01 0.00 0.00 72.50 67.85 2k2b s THR 39 CO 0.00 -1.59 1.31 -0.70 -0.69 0.00 0.00 174.62 172.94 2k2b s GLU 40 N 3.03 0.14 0.12 4.92 2.56 -1.26 -5.04 118.70 123.16 2k2b s GLU 40 Ca 0.36 0.02 -0.29 0.00 0.00 0.00 0.00 54.97 55.06 2k2b s GLU 40 Cb -0.04 0.06 -0.08 0.00 2.00 0.00 0.00 34.13 36.08 2k2b s GLU 40 CO -0.09 -0.05 1.61 0.00 -0.56 0.00 0.00 175.26 176.17 2k2b h ARG 41 N 2.10 -0.53 -1.42 4.30 3.08 -1.97 -2.32 114.38 117.63 2k2b h ARG 41 Ca -0.09 0.04 0.41 0.00 0.07 0.00 0.00 59.98 60.41 2k2b h ARG 41 Cb 1.18 0.12 -0.06 0.00 0.08 0.00 0.00 29.97 31.29 2k2b h ARG 41 CO 0.23 -0.35 1.07 1.05 -1.07 0.00 0.00 179.97 180.89 2k2b h GLU 42 N -0.55 0.00 0.39 0.04 4.11 -1.96 1.42 114.58 118.03 2k2b h GLU 42 Ca 0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.45 2k2b h GLU 42 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2k2b h GLU 42 CO -0.24 0.00 -0.19 1.88 0.07 0.00 0.00 179.01 180.54 2k2b h TYR 43 N 0.00 -0.48 -0.07 2.06 0.05 -1.77 -3.14 116.97 113.61 2k2b h TYR 43 Ca 0.67 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.44 2k2b h TYR 43 Cb 2.80 0.16 0.00 0.00 1.01 0.00 0.00 36.73 40.70 2k2b h TYR 43 CO 0.00 -0.16 0.00 2.48 -1.05 0.00 0.00 178.16 179.43 2k2b n TYR 44 N -5.19 0.09 -2.42 4.88 0.18 0.25 -2.62 117.16 112.33 2k2b n TYR 44 Ca -0.10 -0.05 -0.41 0.00 1.88 0.00 0.00 57.90 59.23 2k2b n TYR 44 Cb 0.28 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.25 2k2b n TYR 44 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2k2b n GLU 45 N -0.29 5.16 0.00 -3.48 -0.58 0.42 -4.87 120.64 117.00 2k2b n GLU 45 Ca 0.15 -4.27 0.00 0.00 -0.42 0.00 0.00 57.16 52.62 2k2b n GLU 45 Cb 0.18 -2.52 0.00 0.00 -0.57 0.00 0.00 31.44 28.53 2k2b n GLU 45 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2k2b n ASP 46 N 0.51 0.00 -0.28 1.62 9.92 -1.26 -4.77 116.55 122.29 2k2b n ASP 46 Ca 0.52 0.00 0.19 0.00 -0.53 0.00 0.00 54.79 54.97 2k2b n ASP 46 Cb 0.26 0.00 0.48 0.00 -0.64 0.00 0.00 41.12 41.22 2k2b n ASP 46 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2k2b h PHE 47 N 0.00 0.65 -0.01 1.24 0.04 -1.73 -0.83 116.94 116.30 2k2b h PHE 47 Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2k2b h PHE 47 Cb 0.00 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 37.96 2k2b h PHE 47 CO 0.00 0.14 0.00 0.41 -0.60 0.00 0.00 178.31 178.26 2k2b n GLY 48 N -1.48 -0.93 3.61 -1.45 0.00 -1.08 -3.69 105.19 100.17 2k2b n GLY 48 Ca 0.21 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.99 1.62 0.00 1.61 2.02 -0.32 -4.81 117.35 115.48 2k2b s TYR 49 Ca 0.30 0.52 0.00 0.00 -0.37 0.00 0.00 57.07 57.52 2k2b s TYR 49 Cb 0.14 -4.05 0.00 0.00 -0.40 0.00 0.00 41.96 37.65 2k2b s TYR 49 CO 0.23 -3.46 0.00 0.41 -1.57 0.00 0.00 175.55 171.17 2k2b n GLY 50 N 5.38 6.31 0.36 0.71 0.00 -1.26 -4.09 105.19 112.59 2k2b n GLY 50 Ca 0.24 -1.70 0.19 0.00 0.00 0.00 0.00 46.02 44.75 2k2b n GLY 50 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2k2b h GLU 51 N 0.00 0.00 -0.01 1.61 4.81 -1.76 -0.92 114.58 118.32 2k2b h GLU 51 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2k2b h GLU 51 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2k2b h GLU 51 CO 0.00 0.00 -0.14 0.00 -0.73 0.00 0.00 179.01 178.14 2k2b h PHE 53 N -0.58 -0.01 -3.37 0.00 -1.00 -1.62 -2.91 116.94 107.45 2k2b h PHE 53 Ca -0.01 -0.00 -0.67 0.00 2.81 0.00 0.00 57.97 60.09 2k2b h PHE 53 Cb 0.87 0.00 -0.36 0.00 3.61 0.00 0.00 35.95 40.08 2k2b h PHE 53 CO 0.18 0.59 -0.84 0.54 -1.61 0.00 0.00 178.31 177.17 2k2b s ASN 54 N -5.80 3.64 -0.61 2.17 4.22 -0.39 -4.19 114.94 113.98 2k2b s ASN 54 Ca -0.16 -0.94 -0.26 0.00 -2.14 0.00 0.00 52.86 49.36 2k2b s ASN 54 Cb 0.01 -1.51 -0.09 0.00 1.28 0.00 0.00 41.25 40.94 2k2b s ASN 54 CO 0.67 -0.07 2.38 -0.94 -2.04 0.00 0.00 177.10 177.10 2k2b s SER 55 N 1.22 4.27 -0.18 3.54 1.04 -1.24 -3.96 113.70 118.38 2k2b s SER 55 Ca -0.00 0.65 -0.05 0.00 0.48 0.00 0.00 55.95 57.03 2k2b s SER 55 Cb -0.16 -2.52 0.09 0.00 0.10 0.00 0.00 66.02 63.53 2k2b s SER 55 CO -0.10 -3.23 0.32 0.28 0.98 0.00 0.00 173.24 171.49 2k2b s THR 56 N 13.03 -0.50 0.01 2.02 -1.32 -1.26 -4.90 115.64 122.74 2k2b s THR 56 Ca 0.94 0.11 -0.30 0.00 -1.21 0.00 0.00 61.69 61.23 2k2b s THR 56 Cb -0.15 -0.62 -0.04 0.00 -1.51 0.00 0.00 72.50 70.18 2k2b s THR 56 CO 0.19 -0.00 1.03 -1.61 -2.21 0.00 0.00 174.62 172.02 2k2b s GLU 57 N 2.48 4.53 0.55 7.08 2.02 -1.26 -4.36 118.70 129.73 2k2b s GLU 57 Ca 0.04 1.50 0.03 0.00 0.02 0.00 0.00 54.97 56.57 2k2b s GLU 57 Cb -0.13 -3.43 0.03 0.00 0.10 0.00 0.00 34.13 30.69 2k2b s GLU 57 CO -0.12 -0.10 0.26 0.45 0.02 0.00 0.00 175.26 175.77 2k2b s SER 58 N 1.02 4.44 0.27 -0.19 0.15 -1.26 -5.02 113.70 113.11 2k2b s SER 58 Ca 0.54 -1.46 0.14 0.00 0.70 0.00 0.00 55.95 55.86 2k2b s SER 58 Cb -0.23 0.62 0.23 0.00 -1.71 0.00 0.00 66.02 64.92 2k2b s SER 58 CO 0.28 -1.08 1.52 -0.08 1.20 0.00 0.00 173.24 175.07 2k2b h GLU 59 N 0.91 0.00 0.03 5.44 4.81 -2.04 -3.32 114.58 120.41 2k2b h GLU 59 Ca -0.39 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.73 2k2b h GLU 59 Cb 1.32 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 2k2b h GLU 59 CO 0.63 0.60 -0.58 0.28 -0.73 0.00 0.00 179.01 179.21 2k2b h VAL 60 N 0.00 1.44 -1.69 0.32 2.07 -1.96 -3.46 116.25 112.97 2k2b h VAL 60 Ca -0.01 -2.33 0.15 0.00 0.82 0.00 0.00 66.70 65.33 2k2b h VAL 60 Cb 1.29 2.98 -0.04 0.00 -1.52 0.00 0.00 31.29 34.00 2k2b h VAL 60 CO 0.08 0.55 -0.19 0.00 0.02 0.00 0.00 177.57 178.02 2k2b n GLN 61 N -4.44 -1.08 0.00 1.57 6.02 -1.25 -4.78 117.38 113.41 2k2b n GLN 61 Ca -0.18 0.71 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 2k2b n GLN 61 Cb 0.61 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 30.55 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 -0.10 1.03 -2.54 0.00 2.13 -1.26 -4.64 120.64 115.26 2k2b n GLU 63 Ca 0.00 -0.07 -0.41 0.00 0.66 0.00 0.00 57.16 57.34 2k2b n GLU 63 Cb 0.00 -1.03 -0.03 0.00 0.27 0.00 0.00 31.44 30.65 2k2b n GLU 63 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2k2b s LEU 64 N -0.08 3.35 -0.02 4.31 1.43 -1.26 -4.90 118.68 121.50 2k2b s LEU 64 Ca 0.01 -1.00 -0.21 0.00 -1.03 0.00 0.00 54.13 51.91 2k2b s LEU 64 Cb 0.01 -2.57 -0.13 0.00 0.03 0.00 0.00 46.19 43.53 2k2b s LEU 64 CO 0.00 -1.68 0.91 0.40 0.23 0.00 0.00 176.35 176.21 2k2b h ILE 65 N 6.49 0.42 0.21 -0.59 2.04 -1.93 -3.38 117.51 120.77 2k2b h ILE 65 Ca -0.01 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 2k2b h ILE 65 Cb 1.03 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 2k2b h ILE 65 CO 1.36 0.09 -0.10 0.00 0.00 0.00 0.00 178.15 179.50 2k2b h THR 66 N -0.98 0.51 0.00 -0.27 1.03 -1.97 -3.43 112.91 107.80 2k2b h THR 66 Ca -0.05 -1.00 -0.09 0.00 -0.01 0.00 0.00 66.41 65.26 2k2b h THR 66 Cb 0.51 0.88 -0.19 0.00 -1.07 0.00 0.00 68.15 68.28 2k2b h THR 66 CO 0.08 0.14 -0.69 0.61 -0.01 0.00 0.00 175.52 175.64 2k2b n GLY 67 N 0.73 0.77 0.08 2.99 0.00 -1.26 -4.57 105.19 103.92 2k2b n GLY 67 Ca -0.07 -0.39 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 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 0.23 0.48 -2.27 1.61 4.71 -1.26 -4.50 120.64 119.64 2k2b n GLU 68 Ca 0.00 0.42 -0.35 0.00 -0.01 0.00 0.00 57.16 57.22 2k2b n GLU 68 Cb 0.89 -1.60 0.02 0.00 -1.01 0.00 0.00 31.44 29.74 2k2b n GLU 68 CO 0.00 0.00 0.00 1.97 0.09 0.00 0.00 177.13 179.19 2k2b n PHE 69 N -4.55 3.19 -1.65 -0.32 1.16 -1.26 -2.38 117.46 111.65 2k2b n PHE 69 Ca -0.11 -2.75 -0.49 0.00 -1.87 0.00 0.00 57.45 52.23 2k2b n PHE 69 Cb 0.37 -0.76 -0.05 0.00 -1.61 0.00 0.00 39.48 37.43 2k2b n PHE 69 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 2k2b n ASP 70 N -0.44 2.73 0.00 5.98 5.75 -1.26 -4.83 116.55 124.48 2k2b n ASP 70 Ca 0.46 1.07 0.05 0.00 -0.01 0.00 0.00 54.79 56.37 2k2b n ASP 70 Cb 0.39 -1.34 0.28 0.00 -1.03 0.00 0.00 41.12 39.42 2k2b n ASP 70 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 2k2b n PRO 71 N 3.81 0.35 0.24 0.11 -0.02 -1.26 -2.74 135.00 135.48 2k2b n PRO 71 Ca 0.19 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.57 2k2b n PRO 71 Cb 0.25 -1.43 -0.05 0.00 -0.02 0.00 0.00 33.50 32.26 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 -0.64 0.02 -0.52 3.64 -1.94 -3.35 116.57 113.79 2k2b h LYS 72 Ca 0.00 0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.21 2k2b h LYS 72 Cb 0.00 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 2k2b h LYS 72 CO 0.00 -0.42 -0.98 1.25 -2.27 0.00 0.00 179.45 177.03 2k2b h LEU 73 N -1.11 0.13 -9.28 5.20 5.85 -1.86 -3.43 115.31 110.82 2k2b h LEU 73 Ca -0.07 -0.13 -0.55 0.00 0.84 0.00 0.00 57.88 57.97 2k2b h LEU 73 Cb 0.51 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2k2b h LEU 73 CO 0.11 1.03 1.02 -0.22 -0.34 0.00 0.00 178.44 180.04 2k2b s LEU 74 N -7.04 4.31 1.04 2.25 2.96 -1.11 -4.81 118.68 116.28 2k2b s LEU 74 Ca -0.01 2.17 -0.14 0.00 -0.22 0.00 0.00 54.13 55.93 2k2b s LEU 74 Cb 0.10 -3.54 0.21 0.00 0.50 0.00 0.00 46.19 43.46 2k2b s LEU 74 CO 0.83 -0.87 1.11 -2.16 -1.32 0.00 0.00 176.35 173.93 2k2b s PRO 75 N 3.65 0.05 -0.30 0.98 0.04 -1.26 -4.71 135.00 133.45 2k2b s PRO 75 Ca 0.70 0.31 -0.00 0.00 0.04 0.00 0.00 61.00 62.05 2k2b s PRO 75 Cb -0.32 -1.71 0.14 0.00 0.04 0.00 0.00 34.50 32.65 2k2b s PRO 75 CO 0.27 -2.94 0.29 1.52 0.04 0.00 0.00 177.00 176.19 2k2b s TYR 76 N -3.03 -0.36 -0.14 0.56 1.13 -1.26 -4.71 117.35 109.54 2k2b s TYR 76 Ca 0.67 -0.34 -0.06 0.00 -1.41 0.00 0.00 57.07 55.93 2k2b s TYR 76 Cb -0.16 -0.49 -0.04 0.00 -1.10 0.00 0.00 41.96 40.17 2k2b s TYR 76 CO 0.57 -0.92 0.06 -0.51 -2.51 0.00 0.00 175.55 172.23 2k2b s ASP 77 N 2.18 5.67 0.01 -0.18 1.11 -1.26 -4.74 116.67 119.46 2k2b s ASP 77 Ca 0.11 0.18 -0.01 0.00 0.18 0.00 0.00 52.55 53.01 2k2b s ASP 77 Cb -0.14 -1.84 0.01 0.00 1.07 0.00 0.00 42.92 42.01 2k2b s ASP 77 CO -0.28 0.29 0.05 0.29 1.18 0.00 0.00 175.17 176.70 2k2b n LYS 78 N 2.79 -0.01 -0.01 8.23 4.76 -1.26 0.13 118.16 132.79 2k2b n LYS 78 Ca -0.18 0.05 -0.17 0.00 -2.87 0.00 0.00 58.31 55.15 2k2b n LYS 78 Cb 0.53 -0.08 -0.13 0.00 -1.84 0.00 0.00 35.03 33.52 2k2b n LYS 78 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k2b h ARG 79 N 0.00 0.19 -0.98 1.97 -0.00 -1.99 -2.50 114.38 111.07 2k2b h ARG 79 Ca 0.01 -0.27 0.11 0.00 -0.50 0.00 0.00 59.98 59.34 2k2b h ARG 79 Cb 0.02 0.09 -0.08 0.00 0.00 0.00 0.00 29.97 30.00 2k2b h ARG 79 CO -0.03 1.06 0.62 1.25 0.00 0.00 0.00 179.97 182.87 2k2b h LEU 80 N -0.54 0.90 0.09 3.04 5.85 0.74 -0.48 115.31 124.90 2k2b h LEU 80 Ca -0.06 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 2k2b h LEU 80 Cb 1.23 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.12 2k2b h LEU 80 CO 0.08 0.49 -0.05 0.00 -0.34 0.00 0.00 178.44 178.63 2k2b h ALA 81 N 1.54 -0.94 0.17 1.25 0.00 -0.21 -2.13 119.26 118.94 2k2b h ALA 81 Ca 0.47 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.37 2k2b h ALA 81 Cb 0.46 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2k2b h ALA 81 CO -0.23 -0.93 -0.31 2.35 0.00 0.00 0.00 179.25 180.13 2k2b h TRP 82 N -0.14 -0.85 -0.14 0.00 2.91 -1.41 -2.23 115.95 114.09 2k2b h TRP 82 Ca -0.01 0.02 -0.20 0.00 1.13 0.00 0.00 58.89 59.82 2k2b h TRP 82 Cb 0.10 0.35 0.01 0.00 -0.51 0.00 0.00 29.16 29.11 2k2b h TRP 82 CO 0.19 -0.43 -0.69 0.45 -1.03 0.00 0.00 178.44 176.93 2k2b h HIS 83 N -0.56 0.98 -0.31 2.65 3.86 -1.20 0.96 115.15 121.51 2k2b h HIS 83 Ca 0.02 -0.43 -0.14 0.00 -1.16 0.00 0.00 60.37 58.66 2k2b h HIS 83 Cb 0.57 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 2k2b h HIS 83 CO -0.26 1.25 -0.38 0.35 0.86 0.00 0.00 177.93 179.75 2k2b h PHE 84 N 0.43 0.88 0.00 2.45 3.57 -1.45 0.28 116.94 123.09 2k2b h PHE 84 Ca -0.05 -0.25 -0.08 0.00 3.53 0.00 0.00 57.97 61.12 2k2b h PHE 84 Cb 1.33 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 2k2b h PHE 84 CO 0.09 1.00 -0.38 0.87 -2.23 0.00 0.00 178.31 177.66 2k2b h LYS 85 N 0.61 0.00 -0.15 1.11 6.56 -1.32 -2.57 116.57 120.80 2k2b h LYS 85 Ca 0.05 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.51 2k2b h LYS 85 Cb 0.92 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.57 2k2b h LYS 85 CO 0.08 0.38 -0.48 1.49 -2.06 0.00 0.00 179.45 178.86 2k2b h GLU 86 N 0.00 0.39 0.09 3.15 4.81 0.17 0.84 114.58 124.03 2k2b h GLU 86 Ca -0.00 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.00 2k2b h GLU 86 Cb 0.85 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.24 2k2b h GLU 86 CO 0.05 0.79 -0.04 0.35 -0.73 0.00 0.00 179.01 179.43 2k2b h PHE 87 N 0.31 -0.11 0.00 0.92 3.57 -0.22 -3.35 116.94 118.06 2k2b h PHE 87 Ca 0.02 -0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.23 2k2b h PHE 87 Cb 0.97 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.70 2k2b h PHE 87 CO 0.03 0.28 -1.99 0.00 -2.23 0.00 0.00 178.31 174.40 2k2b n TYR 89 N -3.58 0.00 -2.24 0.00 9.36 0.11 -4.28 117.16 116.53 2k2b n TYR 89 Ca -0.34 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.53 2k2b n TYR 89 Cb 0.77 -0.14 -0.04 0.00 -0.63 0.00 0.00 39.34 39.30 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 -2.38 2.90 -0.75 2.98 2.36 0.25 -4.91 119.74 120.19 2k2b s LYS 90 Ca 0.31 -0.22 -0.21 0.00 -2.55 0.00 0.00 55.97 53.30 2k2b s LYS 90 Cb 0.20 -4.80 0.09 0.00 -1.05 0.00 0.00 37.83 32.27 2k2b s LYS 90 CO 0.45 -2.75 1.01 0.95 1.55 0.00 0.00 175.35 176.56 2k2b s THR 91 N 8.01 4.48 -0.13 3.43 -4.23 -1.26 -4.23 115.64 121.71 2k2b s THR 91 Ca 0.58 -0.82 -0.00 0.00 -1.18 0.00 0.00 61.69 60.27 2k2b s THR 91 Cb -0.07 -4.71 0.03 0.00 1.34 0.00 0.00 72.50 69.09 2k2b s THR 91 CO 0.06 -1.46 -0.07 -0.94 -0.54 0.00 0.00 174.62 171.66 2k2b s SER 92 N 3.70 2.40 -1.11 3.99 1.04 -1.10 -5.06 113.70 117.55 2k2b s SER 92 Ca 0.25 -0.42 -0.19 0.00 0.48 0.00 0.00 55.95 56.07 2k2b s SER 92 Cb -0.13 -0.88 -0.06 0.00 0.10 0.00 0.00 66.02 65.05 2k2b s SER 92 CO 0.03 -0.13 1.98 0.00 0.98 0.00 0.00 173.24 176.09 2k2b n ALA 93 N 4.91 3.64 0.00 5.32 0.00 -1.26 -4.29 120.51 128.84 2k2b n ALA 93 Ca -0.13 -3.48 0.00 0.00 0.00 0.00 0.00 53.44 49.83 2k2b n ALA 93 Cb 0.49 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.37 2k2b n ALA 93 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2k2b n HIS 94 N 8.59 0.00 -3.33 0.00 -0.00 -1.26 -4.86 115.22 114.36 2k2b n HIS 94 Ca 0.49 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 58.29 2k2b n HIS 94 Cb 0.42 -0.11 -0.07 0.00 -0.12 0.00 0.00 29.99 30.11 2k2b n HIS 94 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 2k2b s GLY 95 N -0.70 2.24 -0.27 1.57 0.00 -1.26 -4.64 107.32 104.26 2k2b s GLY 95 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 44.72 44.39 2k2b s GLY 95 CO 0.00 0.84 0.01 1.39 0.00 0.00 0.00 173.10 175.34 2k2b n ILE 96 N 4.02-10.93 0.11 0.90 -0.00 -1.26 -4.85 119.36 107.35 2k2b n ILE 96 Ca -0.07 1.75 -0.04 0.00 -0.00 0.00 0.00 62.75 64.38 2k2b n ILE 96 Cb 0.51 -6.46 -0.02 0.00 -0.00 0.00 0.00 39.64 33.68 2k2b n ILE 96 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.55 175.90 2k2b h PRO 97 N 3.20 -0.27 0.00 0.38 0.11 -1.76 -3.46 132.00 130.19 2k2b h PRO 97 Ca -0.03 0.02 -0.42 0.00 0.11 0.00 0.00 66.00 65.68 2k2b h PRO 97 Cb 0.18 0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.31 2k2b h PRO 97 CO 0.08 -0.18 -0.22 0.00 -0.21 0.00 0.00 178.00 177.47 2k2b n MET 98 N -2.77 0.96 -1.47 1.05 0.00 -1.26 -4.63 117.12 108.99 2k2b n MET 98 Ca -0.03 -2.45 -0.48 0.00 0.00 0.00 0.00 57.70 54.74 2k2b n MET 98 Cb 0.11 0.34 -0.07 0.00 0.00 0.00 0.00 33.22 33.60 2k2b n MET 98 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 175.97 177.48 2k2b n ILE 99 N -1.32 0.14 0.00 3.17 3.06 -1.26 -4.24 119.36 118.92 2k2b n ILE 99 Ca -0.04 -0.32 0.00 0.00 -2.50 0.00 0.00 62.75 59.90 2k2b n ILE 99 Cb 0.44 -1.74 0.00 0.00 0.54 0.00 0.00 39.64 38.89 2k2b n ILE 99 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2k2b n GLY 100 N 6.44 0.87 3.83 4.50 0.00 -1.26 -5.02 105.19 114.55 2k2b n GLY 100 Ca 0.42 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 4.19 -0.55 1.61 2.12 -1.26 -4.99 118.70 119.82 2k2b s GLU 101 Ca 0.00 1.02 0.02 0.00 0.36 0.00 0.00 54.97 56.37 2k2b s GLU 101 Cb 0.00 -2.25 0.14 0.00 0.26 0.00 0.00 34.13 32.28 2k2b s GLU 101 CO 0.00 0.02 0.32 0.00 -0.54 0.00 0.00 175.26 175.06 2k2b s ALA 102 N -2.12 3.39 -0.42 6.30 0.00 -1.26 -4.35 121.76 123.29 2k2b s ALA 102 Ca 0.60 -3.24 -0.26 0.00 0.00 0.00 0.00 51.96 49.06 2k2b s ALA 102 Cb -0.09 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 20.71 2k2b s ALA 102 CO 0.14 -2.03 0.94 -1.25 0.00 0.00 0.00 175.76 173.55 2k2b s PRO 103 N -0.16 3.67 0.42 0.00 0.05 -1.26 -4.92 135.00 132.81 2k2b s PRO 103 Ca 0.17 0.35 -0.25 0.00 0.05 0.00 0.00 61.00 61.32 2k2b s PRO 103 Cb -0.24 -3.87 -0.08 0.00 0.05 0.00 0.00 34.50 30.36 2k2b s PRO 103 CO -0.02 -1.12 1.22 -0.48 0.05 0.00 0.00 177.00 176.66 2k2b s LEU 104 N 3.67 4.14 -0.00 -3.56 0.05 -1.26 -4.91 118.68 116.81 2k2b s LEU 104 Ca 0.38 2.46 -0.14 0.00 0.05 0.00 0.00 54.13 56.88 2k2b s LEU 104 Cb -0.11 -4.05 -0.08 0.00 -2.05 0.00 0.00 46.19 39.91 2k2b s LEU 104 CO 0.23 -0.84 0.80 -0.08 -0.55 0.00 0.00 176.35 175.92 2k2b h GLU 105 N 2.45 -0.48 -5.46 1.48 4.81 -1.96 -3.45 114.58 111.96 2k2b h GLU 105 Ca -0.49 0.03 -0.64 0.00 -0.13 0.00 0.00 59.36 58.13 2k2b h GLU 105 Cb 1.25 0.11 -0.32 0.00 0.63 0.00 0.00 28.75 30.41 2k2b h GLU 105 CO 0.62 -0.32 -0.87 -1.01 -0.73 0.00 0.00 179.01 176.70 2k2b s HIS 106 N -3.42 2.25 -0.12 0.92 3.76 -1.26 -5.03 115.29 112.39 2k2b s HIS 106 Ca -0.07 -0.79 -0.28 0.00 -0.15 0.00 0.00 55.06 53.76 2k2b s HIS 106 Cb 0.01 -1.51 -0.25 0.00 1.11 0.00 0.00 32.58 31.94 2k2b s HIS 106 CO 0.22 -0.30 0.85 1.25 -0.85 0.00 0.00 174.74 175.91 2k2b h HIS 107 N 6.45 -0.00 -2.99 1.40 2.76 -2.00 -3.43 115.15 117.34 2k2b h HIS 107 Ca -0.27 -0.00 -0.56 0.00 -2.20 0.00 0.00 60.37 57.34 2k2b h HIS 107 Cb 1.20 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.13 2k2b h HIS 107 CO 0.45 0.92 0.82 -3.38 -1.30 0.00 0.00 177.93 175.44 2k2b s HIS 108 N -2.53 3.02 -0.63 5.26 0.00 -1.26 -4.93 115.29 114.22 2k2b s HIS 108 Ca -0.19 1.13 0.08 0.00 -3.00 0.00 0.00 55.06 53.09 2k2b s HIS 108 Cb -0.02 -3.45 0.47 0.00 -4.00 0.00 0.00 32.58 25.58 2k2b s HIS 108 CO 0.69 -1.42 1.23 -2.39 -1.00 0.00 0.00 174.74 171.85 2k2b n HIS 109 N 6.10 1.19 -4.94 0.38 1.44 -1.26 -4.74 115.22 113.39 2k2b n HIS 109 Ca 0.13 -0.41 -0.26 0.00 -2.01 0.00 0.00 57.72 55.16 2k2b n HIS 109 Cb 0.45 -0.33 -0.16 0.00 0.12 0.00 0.00 29.99 30.08 2k2b n HIS 109 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2k2b s HIS 110 N -2.00 1.78 -1.71 -1.40 3.76 -1.26 -5.20 115.29 109.26 2k2b s HIS 110 Ca 0.32 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.83 2k2b s HIS 110 Cb 0.24 -1.16 0.00 0.00 1.11 0.00 0.00 32.58 32.77 2k2b s HIS 110 CO 0.10 -0.08 0.43 0.72 -0.85 0.00 0.00 174.74 175.06