#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 1.84 -0.17 6.12 7.64 -1.26 -4.82 113.62 122.96 2k2b n SER 2 Ca 0.00 1.10 0.08 0.00 1.01 0.00 0.00 58.87 61.06 2k2b n SER 2 Cb 0.00 -1.40 0.39 0.00 -1.01 0.00 0.00 64.21 62.18 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 1.91 0.70 0.40 1.43 6.55 -1.93 -1.71 115.95 123.29 2k2b h TRP 3 Ca -0.45 0.02 -0.02 0.00 0.95 0.00 0.00 58.89 59.39 2k2b h TRP 3 Cb 1.32 -0.23 0.00 0.00 -0.86 0.00 0.00 29.16 29.39 2k2b h TRP 3 CO 0.46 0.35 -0.19 0.52 -1.05 0.00 0.00 178.44 178.54 2k2b h MET 4 N 0.68 -0.51 -0.92 0.49 2.86 -1.90 -0.02 114.93 115.60 2k2b h MET 4 Ca 0.31 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 58.01 2k2b h MET 4 Cb 0.35 0.12 -0.05 0.00 0.06 0.00 0.00 31.60 32.08 2k2b h MET 4 CO -0.11 -0.29 0.61 -0.56 1.06 0.00 0.00 176.91 177.63 2k2b h GLN 5 N -0.63 1.18 -0.93 1.72 3.07 -0.66 0.45 115.11 119.31 2k2b h GLN 5 Ca -0.05 -0.07 0.19 0.00 0.09 0.00 0.00 58.65 58.80 2k2b h GLN 5 Cb 0.46 -0.27 -0.08 0.00 0.08 0.00 0.00 27.48 27.68 2k2b h GLN 5 CO 0.09 0.78 0.60 -0.97 0.09 0.00 0.00 178.83 179.42 2k2b h ASN 6 N 1.22 0.55 0.01 0.06 -1.24 -0.98 0.61 115.58 115.81 2k2b h ASN 6 Ca 0.35 0.05 -0.00 0.00 0.71 0.00 0.00 56.30 57.41 2k2b h ASN 6 Cb -0.09 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 38.91 2k2b h ASN 6 CO -0.09 0.23 -0.01 -0.07 -1.29 0.00 0.00 177.43 176.20 2k2b h LEU 7 N 0.55 -0.01 0.00 0.34 3.38 0.00 -3.32 115.31 116.26 2k2b h LEU 7 Ca 0.49 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2k2b h LEU 7 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2k2b h LEU 7 CO -0.23 0.81 0.00 2.29 0.09 0.00 0.00 178.44 181.40 2k2b n LYS 8 N -4.70 0.77 0.04 1.13 2.85 0.05 -1.77 118.16 116.53 2k2b n LYS 8 Ca -0.09 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.26 2k2b n LYS 8 Cb 0.39 -1.05 0.38 0.00 -0.65 0.00 0.00 35.03 34.09 2k2b n LYS 8 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2k2b n ASN 9 N -0.55 0.20 -0.00 -5.58 5.03 0.15 -4.13 115.26 110.36 2k2b n ASN 9 Ca 0.02 0.55 -0.00 0.00 0.87 0.00 0.00 54.58 56.01 2k2b n ASN 9 Cb 0.01 -0.59 -0.00 0.00 -1.02 0.00 0.00 39.78 38.18 2k2b n ASN 9 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.26 177.31 2k2b h TYR 10 N 0.00 0.00 -5.38 3.10 0.05 -1.60 -3.43 116.97 109.71 2k2b h TYR 10 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2k2b h TYR 10 Cb 0.31 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.01 2k2b h TYR 10 CO 0.00 0.00 -1.08 1.04 -1.05 0.00 0.00 178.16 177.07 2k2b n GLN 11 N -2.39 -3.13 0.05 4.88 1.13 -1.26 -4.67 117.38 112.00 2k2b n GLN 11 Ca -0.00 2.54 0.00 0.00 -1.94 0.00 0.00 57.00 57.60 2k2b n GLN 11 Cb 0.02 -4.27 0.00 0.00 0.11 0.00 0.00 30.24 26.10 2k2b n GLN 11 CO 0.00 0.00 0.00 -2.39 -1.44 0.00 0.00 177.06 173.23 2k2b n HIS 12 N 1.21 -1.82 -2.22 1.08 1.44 -1.26 -4.93 115.22 108.72 2k2b n HIS 12 Ca -0.11 0.28 0.00 0.00 -2.01 0.00 0.00 57.72 55.88 2k2b n HIS 12 Cb 0.25 0.97 0.00 0.00 0.12 0.00 0.00 29.99 31.34 2k2b n HIS 12 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2k2b n LEU 13 N -2.77 0.00 -4.50 2.39 4.32 -1.26 -4.99 117.00 110.19 2k2b n LEU 13 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.79 2k2b n LEU 13 Cb 0.00 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.70 2k2b n LEU 13 CO 0.00 0.00 1.23 -2.11 -1.22 0.00 0.00 177.39 175.29 2k2b n ARG 14 N 0.00 0.51 -2.68 3.23 1.85 -1.26 -4.92 116.66 113.39 2k2b n ARG 14 Ca 0.00 -1.87 -0.43 0.00 -1.00 0.00 0.00 57.85 54.55 2k2b n ARG 14 Cb 0.00 -3.79 -0.03 0.00 -1.05 0.00 0.00 32.46 27.59 2k2b n ARG 14 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2k2b s ASP 15 N 7.85 6.60 0.00 2.89 1.01 -1.26 -4.98 116.67 128.78 2k2b s ASP 15 Ca 0.77 0.37 0.00 0.00 0.71 0.00 0.00 52.55 54.40 2k2b s ASP 15 Cb -0.02 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.40 2k2b s ASP 15 CO 0.18 -1.16 0.12 -2.65 0.21 0.00 0.00 175.17 171.87 2k2b n PRO 16 N 7.55 0.00 0.15 8.23 -0.02 -1.26 -3.18 135.00 146.47 2k2b n PRO 16 Ca 0.10 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.69 2k2b n PRO 16 Cb 0.49 -0.53 0.62 0.00 -0.02 0.00 0.00 33.50 34.06 2k2b n PRO 16 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2k2b h SER 17 N 0.00 0.07 -0.79 2.55 0.02 -1.97 -0.47 113.55 112.95 2k2b h SER 17 Ca 0.00 -0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 2k2b h SER 17 Cb 0.00 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.46 2k2b h SER 17 CO 0.00 0.04 0.47 -0.33 -1.14 0.00 0.00 176.83 175.88 2k2b h GLU 18 N 0.08 0.84 0.15 3.45 5.08 -1.85 -0.59 114.58 121.74 2k2b h GLU 18 Ca 0.09 -0.05 -0.34 0.00 -1.00 0.00 0.00 59.36 58.06 2k2b h GLU 18 Cb 0.28 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 2k2b h GLU 18 CO -0.01 0.55 -1.71 1.88 -1.00 0.00 0.00 179.01 178.72 2k2b h TYR 19 N 0.86 0.59 -0.88 4.33 0.05 -1.28 -0.83 116.97 119.80 2k2b h TYR 19 Ca 0.35 -0.43 0.16 0.00 0.05 0.00 0.00 58.73 58.87 2k2b h TYR 19 Cb 0.20 -0.02 -0.07 0.00 1.01 0.00 0.00 36.73 37.84 2k2b h TYR 19 CO -0.05 1.57 0.57 0.52 -1.05 0.00 0.00 178.16 179.73 2k2b h MET 20 N 0.09 0.56 -0.02 4.88 2.86 -0.92 -0.25 114.93 122.12 2k2b h MET 20 Ca -0.32 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 2k2b h MET 20 Cb 2.07 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.60 2k2b h MET 20 CO 0.16 0.37 -0.15 0.43 1.06 0.00 0.00 176.91 178.79 2k2b n SER 21 N -4.55 2.15 -0.16 1.22 7.64 -0.25 -4.19 113.62 115.49 2k2b n SER 21 Ca 0.18 -1.57 -0.03 0.00 1.01 0.00 0.00 58.87 58.45 2k2b n SER 21 Cb 0.55 0.20 0.03 0.00 -1.01 0.00 0.00 64.21 63.98 2k2b n SER 21 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2k2b h GLN 22 N 2.82 -0.00 -2.87 1.43 5.75 0.48 -3.27 115.11 119.45 2k2b h GLN 22 Ca 0.00 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.36 2k2b h GLN 22 Cb 0.67 0.00 -0.25 0.00 1.07 0.00 0.00 27.48 28.98 2k2b h GLN 22 CO 0.00 -0.00 -0.30 0.54 -2.65 0.00 0.00 178.83 176.42 2k2b s VAL 23 N -6.22 -0.00 0.00 2.39 0.11 -1.11 -4.76 120.40 110.81 2k2b s VAL 23 Ca -0.14 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 58.90 2k2b s VAL 23 Cb 0.16 -0.50 -0.05 0.00 -1.53 0.00 0.00 36.38 34.46 2k2b s VAL 23 CO 0.72 0.00 1.86 0.00 -3.33 0.00 0.00 175.10 174.35 2k2b n TYR 24 N 2.91 0.00 -0.01 1.54 9.36 -1.26 -3.93 117.16 125.77 2k2b n TYR 24 Ca -0.13 -0.85 -0.10 0.00 3.32 0.00 0.00 57.90 60.14 2k2b n TYR 24 Cb 0.57 -0.67 -0.14 0.00 -0.63 0.00 0.00 39.34 38.48 2k2b n TYR 24 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 2k2b h GLY 25 N 3.77 0.04 0.00 2.98 0.00 -1.80 -3.40 103.07 104.66 2k2b h GLY 25 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2k2b h GLY 25 CO 0.08 0.09 0.00 1.22 0.00 0.00 0.00 176.54 177.93 2k2b n ASP 26 N -3.12 0.00 -0.06 0.19 8.00 -1.25 -4.53 116.55 115.79 2k2b n ASP 26 Ca -0.18 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.31 2k2b n ASP 26 Cb 1.05 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 42.14 2k2b n ASP 26 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2k2b h PRO 27 N 0.00 0.00 -0.53 -0.24 0.13 -1.94 -3.27 132.00 126.15 2k2b h PRO 27 Ca 0.00 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.23 2k2b h PRO 27 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 2k2b h PRO 27 CO 0.00 0.00 0.10 -0.07 -0.23 0.00 0.00 178.00 177.80 2k2b h LEU 28 N -0.96 -0.03 0.00 1.56 3.38 -1.79 -0.61 115.31 116.86 2k2b h LEU 28 Ca 0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2k2b h LEU 28 Cb 0.20 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2k2b h LEU 28 CO 0.00 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.54 2k2b n ALA 29 N -2.57 -0.20 -0.33 1.53 0.00 -1.16 -2.25 120.51 115.53 2k2b n ALA 29 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.52 2k2b n ALA 29 Cb 0.27 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.80 2k2b n ALA 29 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2k2b h TYR 30 N 0.00 -0.78 0.69 0.00 3.20 -1.60 -0.16 116.97 118.32 2k2b h TYR 30 Ca 0.00 0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 2k2b h TYR 30 Cb 0.00 0.48 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 2k2b h TYR 30 CO 0.09 -0.40 -0.45 1.25 -1.64 0.00 0.00 178.16 177.01 2k2b h LEU 31 N -0.02 -1.15 -1.35 2.82 7.12 -1.18 0.31 115.31 121.86 2k2b h LEU 31 Ca 0.38 0.07 -0.04 0.00 0.13 0.00 0.00 57.88 58.41 2k2b h LEU 31 Cb 0.63 0.34 -0.01 0.00 -0.53 0.00 0.00 40.66 41.09 2k2b h LEU 31 CO -0.93 -0.67 -0.04 1.56 -0.13 0.00 0.00 178.44 178.22 2k2b h GLN 32 N -1.07 0.38 0.22 1.25 7.50 -1.20 -1.74 115.11 120.45 2k2b h GLN 32 Ca -0.09 -0.08 -0.01 0.00 0.50 0.00 0.00 58.65 58.97 2k2b h GLN 32 Cb 0.87 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.34 2k2b h GLN 32 CO 0.08 0.44 -0.11 1.49 -1.50 0.00 0.00 178.83 179.23 2k2b h GLU 33 N 0.36 -0.29 0.00 1.46 4.81 -0.86 0.14 114.58 120.21 2k2b h GLU 33 Ca 0.08 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2k2b h GLU 33 Cb 0.32 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 2k2b h GLU 33 CO 0.01 0.09 -0.11 0.00 -0.73 0.00 0.00 179.01 178.27 2k2b h THR 34 N -0.80 0.53 0.00 0.32 1.03 -0.90 -0.72 112.91 112.37 2k2b h THR 34 Ca -0.03 -0.53 0.00 0.00 -0.01 0.00 0.00 66.41 65.84 2k2b h THR 34 Cb 0.51 1.35 0.00 0.00 -1.07 0.00 0.00 68.15 68.94 2k2b h THR 34 CO 0.05 0.11 -0.33 0.74 -0.01 0.00 0.00 175.52 176.08 2k2b h THR 35 N 0.00 0.00 0.09 0.00 2.02 -1.33 -3.44 112.91 110.25 2k2b h THR 35 Ca -0.00 -0.73 -0.15 0.00 0.77 0.00 0.00 66.41 66.30 2k2b h THR 35 Cb 0.34 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 66.76 2k2b h THR 35 CO 0.01 0.00 -0.70 0.11 0.37 0.00 0.00 175.52 175.31 2k2b h LYS 36 N -0.73 0.19 -3.82 6.66 1.79 -0.81 -3.51 116.57 116.35 2k2b h LYS 36 Ca 0.00 -0.33 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 2k2b h LYS 36 Cb 0.33 0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 31.07 2k2b h LYS 36 CO 0.00 1.16 -0.73 0.34 -1.08 0.00 0.00 179.45 179.14 2k2b n PHE 37 N -4.24 -2.73 0.00 -1.35 7.35 -0.28 -4.61 117.46 111.60 2k2b n PHE 37 Ca -0.15 1.61 0.00 0.00 -0.76 0.00 0.00 57.45 58.15 2k2b n PHE 37 Cb 0.73 -3.01 0.00 0.00 0.35 0.00 0.00 39.48 37.56 2k2b n PHE 37 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 2k2b n VAL 38 N 1.03 0.00 0.03 -2.13 0.24 -1.26 -4.48 118.33 111.76 2k2b n VAL 38 Ca -0.11 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.07 2k2b n VAL 38 Cb 0.17 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.48 2k2b n VAL 38 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2k2b h THR 39 N 0.00 0.17 -3.09 3.34 2.02 -1.88 -3.41 112.91 110.06 2k2b h THR 39 Ca 0.00 0.00 -0.58 0.00 0.77 0.00 0.00 66.41 66.60 2k2b h THR 39 Cb 0.00 0.17 -0.06 0.00 -1.74 0.00 0.00 68.15 66.53 2k2b h THR 39 CO 0.00 0.00 0.82 -0.70 0.37 0.00 0.00 175.52 176.01 2k2b s GLU 40 N -5.91 4.22 0.03 6.66 -6.30 -1.26 -4.94 118.70 111.20 2k2b s GLU 40 Ca -0.16 1.35 -0.26 0.00 -2.50 0.00 0.00 54.97 53.41 2k2b s GLU 40 Cb 0.09 -3.68 -0.17 0.00 0.00 0.00 0.00 34.13 30.37 2k2b s GLU 40 CO 0.64 -0.69 1.42 0.00 0.02 0.00 0.00 175.26 176.66 2k2b h ARG 41 N 7.68 -0.34 -0.91 4.30 -0.00 -2.00 -2.93 114.38 120.17 2k2b h ARG 41 Ca -0.20 0.02 0.04 0.00 -0.50 0.00 0.00 59.98 59.34 2k2b h ARG 41 Cb 1.07 0.08 -0.05 0.00 0.00 0.00 0.00 29.97 31.06 2k2b h ARG 41 CO 0.99 -0.08 0.60 1.49 0.00 0.00 0.00 179.97 182.97 2k2b h GLU 42 N -0.57 1.09 -0.70 0.04 4.81 -1.97 0.91 114.58 118.18 2k2b h GLU 42 Ca -0.04 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2k2b h GLU 42 Cb 0.42 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 2k2b h GLU 42 CO 0.06 0.72 0.46 1.88 -0.73 0.00 0.00 179.01 181.40 2k2b h TYR 43 N 1.12 0.87 0.01 0.92 0.05 -1.97 -2.71 116.97 115.26 2k2b h TYR 43 Ca 0.37 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 59.17 2k2b h TYR 43 Cb 0.07 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 37.51 2k2b h TYR 43 CO -0.00 0.55 -0.01 1.88 -1.05 0.00 0.00 178.16 179.53 2k2b h TYR 44 N 0.94 -0.01 -0.30 4.88 -1.99 -0.80 -3.34 116.97 116.34 2k2b h TYR 44 Ca 0.26 -0.00 0.04 0.00 2.00 0.00 0.00 58.73 61.03 2k2b h TYR 44 Cb -0.10 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.59 2k2b h TYR 44 CO -0.00 -0.01 -0.13 -1.91 -0.00 0.00 0.00 178.16 176.11 2k2b n GLU 45 N -2.67 -0.09 0.02 4.88 2.13 0.30 -0.22 120.64 124.98 2k2b n GLU 45 Ca -0.00 0.45 0.11 0.00 0.66 0.00 0.00 57.16 58.38 2k2b n GLU 45 Cb 0.01 -0.67 0.06 0.00 0.27 0.00 0.00 31.44 31.10 2k2b n GLU 45 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2k2b n ASP 46 N -4.42 0.65 0.00 4.31 2.03 -1.02 -4.67 116.55 113.43 2k2b n ASP 46 Ca 0.02 -0.34 0.00 0.00 0.52 0.00 0.00 54.79 54.99 2k2b n ASP 46 Cb 0.11 0.68 0.00 0.00 -0.72 0.00 0.00 41.12 41.18 2k2b n ASP 46 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2k2b n PHE 47 N -1.77 0.00 0.00 -0.67 3.01 0.69 -4.87 117.46 113.85 2k2b n PHE 47 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 2k2b n PHE 47 Cb 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.86 2k2b n PHE 47 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2k2b n GLY 48 N 5.00 1.85 3.29 1.37 0.00 -1.25 -4.87 105.19 110.57 2k2b n GLY 48 Ca 0.00 0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 2k2b n GLY 48 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2k2b n TYR 49 N 0.00 -2.92 0.00 1.61 4.02 -1.03 -2.96 117.16 115.87 2k2b n TYR 49 Ca 0.00 1.20 0.00 0.00 -0.01 0.00 0.00 57.90 59.09 2k2b n TYR 49 Cb 0.00 -2.78 0.00 0.00 -0.02 0.00 0.00 39.34 36.54 2k2b n TYR 49 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2k2b n GLY 50 N -0.45 0.03 1.39 2.72 0.00 -1.26 -4.33 105.19 103.29 2k2b n GLY 50 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.20 0.00 -0.34 1.61 1.02 -1.26 -4.50 120.64 116.97 2k2b n GLU 51 Ca 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 2k2b n GLU 51 Cb 0.00 -0.19 0.24 0.00 -0.02 0.00 0.00 31.44 31.47 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 -4.69 1.97 -4.22 0.00 7.35 -1.26 -3.80 117.46 112.82 2k2b n PHE 53 Ca 0.19 -0.68 -0.25 0.00 -0.76 0.00 0.00 57.45 55.95 2k2b n PHE 53 Cb 0.39 -0.49 -0.07 0.00 0.35 0.00 0.00 39.48 39.66 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 -0.74 4.84 0.45 -2.13 3.84 -0.79 -2.47 114.94 117.95 2k2b s ASN 54 Ca 0.52 -0.44 0.30 0.00 0.21 0.00 0.00 52.86 53.45 2k2b s ASN 54 Cb 0.39 -1.04 1.29 0.00 -0.55 0.00 0.00 41.25 41.35 2k2b s ASN 54 CO 0.15 0.04 1.90 0.77 -2.79 0.00 0.00 177.10 177.18 2k2b h SER 55 N 2.26 0.00 -2.49 -4.21 4.64 -1.87 -3.39 113.55 108.48 2k2b h SER 55 Ca -0.46 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.65 2k2b h SER 55 Cb 1.22 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.99 2k2b h SER 55 CO 0.59 0.00 -0.51 -0.89 -0.87 0.00 0.00 176.83 175.15 2k2b s THR 56 N -3.57 -0.48 0.06 2.95 2.01 -1.26 -4.25 115.64 111.11 2k2b s THR 56 Ca 0.02 0.09 -0.30 0.00 0.31 0.00 0.00 61.69 61.80 2k2b s THR 56 Cb 0.09 -0.62 -0.09 0.00 0.01 0.00 0.00 72.50 71.89 2k2b s THR 56 CO 0.47 -0.02 1.88 -1.83 -0.69 0.00 0.00 174.62 174.43 2k2b s GLU 57 N 2.46 4.15 0.04 4.92 1.03 -1.26 -4.82 118.70 125.22 2k2b s GLU 57 Ca 0.05 2.56 -0.19 0.00 0.03 0.00 0.00 54.97 57.42 2k2b s GLU 57 Cb -0.14 -3.92 -0.10 0.00 -0.80 0.00 0.00 34.13 29.18 2k2b s GLU 57 CO -0.12 -0.89 1.29 1.03 -1.33 0.00 0.00 175.26 175.23 2k2b h SER 58 N 9.69 -0.66 0.00 0.83 0.87 -1.86 -3.45 113.55 118.96 2k2b h SER 58 Ca -0.47 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2k2b h SER 58 Cb 1.22 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.39 2k2b h SER 58 CO 0.94 -0.37 0.00 1.21 -0.53 0.00 0.00 176.83 178.08 2k2b n GLU 59 N -3.90 0.00 0.00 2.24 2.13 -1.26 -5.07 120.64 114.78 2k2b n GLU 59 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 2k2b n GLU 59 Cb 0.25 -0.25 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2k2b n GLU 59 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2k2b n VAL 60 N -1.39 0.00 0.00 6.31 0.31 -1.26 -5.10 118.33 117.20 2k2b n VAL 60 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2k2b n VAL 60 Cb 0.00 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.55 2k2b n VAL 60 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2k2b n GLN 61 N 0.00 0.00 -3.51 5.55 7.27 -1.26 -5.07 117.38 120.36 2k2b n GLN 61 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 56.92 2k2b n GLN 61 Cb 0.00 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 32.60 2k2b n GLN 61 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2k2b n GLU 63 N 0.57 0.12 -0.12 0.00 4.07 -1.26 -1.65 120.64 122.37 2k2b n GLU 63 Ca -0.16 0.62 -0.11 0.00 -0.06 0.00 0.00 57.16 57.44 2k2b n GLU 63 Cb 0.59 -1.95 -0.02 0.00 -0.06 0.00 0.00 31.44 30.00 2k2b n GLU 63 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2k2b h LEU 64 N 0.00 0.64 -1.11 4.31 5.85 -1.88 -1.17 115.31 121.95 2k2b h LEU 64 Ca 0.00 -0.33 -0.07 0.00 0.84 0.00 0.00 57.88 58.32 2k2b h LEU 64 Cb 0.09 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2k2b h LEU 64 CO 0.00 0.82 -0.09 0.40 -0.34 0.00 0.00 178.44 179.23 2k2b h ILE 65 N 0.45 1.22 -0.09 4.05 2.04 -1.71 -2.34 117.51 121.13 2k2b h ILE 65 Ca 0.10 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 64.95 2k2b h ILE 65 Cb 0.51 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2k2b h ILE 65 CO 0.02 0.32 -0.08 0.71 0.00 0.00 0.00 178.15 179.13 2k2b h THR 66 N 0.48 1.35 0.00 -0.27 1.35 -1.63 -3.49 112.91 110.71 2k2b h THR 66 Ca 0.09 -1.19 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 2k2b h THR 66 Cb 0.46 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2k2b h THR 66 CO 0.03 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.24 2k2b n GLY 67 N 0.15 1.80 0.12 5.82 0.00 -0.47 -5.05 105.19 107.57 2k2b n GLY 67 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.48 0.71 -4.12 1.61 4.71 -1.05 -4.40 120.64 117.61 2k2b n GLU 68 Ca 0.00 0.24 -0.23 0.00 -0.01 0.00 0.00 57.16 57.17 2k2b n GLU 68 Cb 0.00 -1.70 -0.05 0.00 -1.01 0.00 0.00 31.44 28.68 2k2b n GLU 68 CO 0.00 0.00 0.00 -0.59 0.09 0.00 0.00 177.13 176.63 2k2b s PHE 69 N -2.56 3.09 -0.06 -0.32 -0.71 -1.23 -0.53 117.98 115.65 2k2b s PHE 69 Ca -0.19 -0.11 0.01 0.00 -1.04 0.00 0.00 56.93 55.60 2k2b s PHE 69 Cb 0.07 -1.40 0.02 0.00 -1.21 0.00 0.00 43.02 40.50 2k2b s PHE 69 CO 0.77 0.53 -0.05 0.34 -1.34 0.00 0.00 175.22 175.46 2k2b s ASP 70 N -3.73 1.34 -0.01 1.98 -1.08 -1.26 -4.76 116.67 109.15 2k2b s ASP 70 Ca 0.32 -0.17 0.15 0.00 -0.52 0.00 0.00 52.55 52.34 2k2b s ASP 70 Cb -0.08 -0.55 0.46 0.00 -1.46 0.00 0.00 42.92 41.29 2k2b s ASP 70 CO 0.24 -0.08 1.38 -0.81 0.52 0.00 0.00 175.17 176.43 2k2b n PRO 71 N 4.33 2.30 -0.06 4.34 -0.04 -1.26 -4.51 135.00 140.09 2k2b n PRO 71 Ca -0.20 -1.87 -0.10 0.00 -0.04 0.00 0.00 63.50 61.29 2k2b n PRO 71 Cb 0.51 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.97 0.39 -0.76 0.54 4.01 -1.26 -4.67 118.16 117.38 2k2b n LYS 72 Ca 0.17 0.16 -0.08 0.00 -0.51 0.00 0.00 58.31 58.06 2k2b n LYS 72 Cb 0.47 -1.17 -0.04 0.00 -0.51 0.00 0.00 35.03 33.77 2k2b n LYS 72 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 2k2b n LEU 73 N -4.10 5.56 -4.40 -0.35 7.94 -1.26 -4.85 117.00 115.54 2k2b n LEU 73 Ca -0.18 -2.86 -0.38 0.00 -1.11 0.00 0.00 56.01 51.48 2k2b n LEU 73 Cb 0.48 -1.20 -0.12 0.00 0.53 0.00 0.00 43.42 43.10 2k2b n LEU 73 CO 0.11 1.28 -0.25 -0.22 -1.11 0.00 0.00 177.39 177.20 2k2b s LEU 74 N -0.42 3.87 -0.32 -1.96 2.96 -1.26 -4.60 118.68 116.96 2k2b s LEU 74 Ca 0.27 -0.54 -0.28 0.00 -0.22 0.00 0.00 54.13 53.36 2k2b s LEU 74 Cb 0.15 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 2k2b s LEU 74 CO -0.02 -0.16 2.11 -2.84 -1.32 0.00 0.00 176.35 174.13 2k2b s PRO 75 N 1.57 2.99 0.07 0.98 0.02 -1.26 -4.96 135.00 134.41 2k2b s PRO 75 Ca 0.04 1.68 0.07 0.00 0.02 0.00 0.00 61.00 62.82 2k2b s PRO 75 Cb -0.17 -4.36 -0.03 0.00 0.02 0.00 0.00 34.50 29.96 2k2b s PRO 75 CO 0.04 -2.27 -0.20 1.52 -0.33 0.00 0.00 177.00 175.77 2k2b s TYR 76 N 8.60 1.73 0.51 6.54 1.13 -1.26 -4.99 117.35 129.61 2k2b s TYR 76 Ca 0.93 -0.40 0.08 0.00 -1.41 0.00 0.00 57.07 56.27 2k2b s TYR 76 Cb -0.26 -0.99 0.08 0.00 -1.10 0.00 0.00 41.96 39.69 2k2b s TYR 76 CO 0.32 0.14 0.67 -0.25 -2.51 0.00 0.00 175.55 173.92 2k2b n ASP 77 N 1.48 1.95 0.35 -0.18 8.00 -1.26 -4.88 116.55 122.01 2k2b n ASP 77 Ca -0.18 -2.40 -0.16 0.00 0.71 0.00 0.00 54.79 52.75 2k2b n ASP 77 Cb 0.54 -0.34 -0.08 0.00 -0.02 0.00 0.00 41.12 41.22 2k2b n ASP 77 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2k2b h LYS 78 N 0.00 -0.86 -0.89 -1.24 3.64 -2.01 0.63 116.57 115.84 2k2b h LYS 78 Ca -0.25 0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.20 2k2b h LYS 78 Cb 1.11 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 33.08 2k2b h LYS 78 CO 0.36 -0.54 0.59 0.07 -2.27 0.00 0.00 179.45 177.66 2k2b h ARG 79 N -1.06 1.16 0.54 1.90 0.11 -1.99 -2.73 114.38 112.31 2k2b h ARG 79 Ca -0.09 -0.07 -0.03 0.00 0.10 0.00 0.00 59.98 59.89 2k2b h ARG 79 Cb 0.72 -0.26 0.01 0.00 1.11 0.00 0.00 29.97 31.55 2k2b h ARG 79 CO 0.15 0.77 -0.26 1.25 0.10 0.00 0.00 179.97 181.98 2k2b h LEU 80 N 1.20 -0.61 -0.12 0.08 6.46 -1.92 -1.93 115.31 118.45 2k2b h LEU 80 Ca 0.33 -0.05 0.04 0.00 -0.12 0.00 0.00 57.88 58.08 2k2b h LEU 80 Cb -0.13 0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 39.91 2k2b h LEU 80 CO -0.07 -0.30 -0.16 0.00 -0.62 0.00 0.00 178.44 177.28 2k2b h ALA 81 N -0.60 -0.10 -0.67 1.25 0.00 -0.84 0.64 119.26 118.94 2k2b h ALA 81 Ca -0.07 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2k2b h ALA 81 Cb 0.62 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2k2b h ALA 81 CO 0.12 -0.62 0.20 2.35 0.00 0.00 0.00 179.25 181.30 2k2b h TRP 82 N -0.21 1.08 0.04 0.00 2.91 -1.55 -0.58 115.95 117.65 2k2b h TRP 82 Ca 0.09 -0.11 -0.24 0.00 1.13 0.00 0.00 58.89 59.76 2k2b h TRP 82 Cb 0.35 -0.31 0.00 0.00 -0.51 0.00 0.00 29.16 28.69 2k2b h TRP 82 CO -0.28 0.88 -1.03 0.45 -1.03 0.00 0.00 178.44 177.44 2k2b h HIS 83 N 0.98 0.55 -0.54 2.65 3.86 -1.10 -1.31 115.15 120.23 2k2b h HIS 83 Ca 0.21 -0.33 -0.11 0.00 -1.16 0.00 0.00 60.37 58.98 2k2b h HIS 83 Cb 0.31 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 2k2b h HIS 83 CO 0.02 1.18 -0.11 0.74 0.86 0.00 0.00 177.93 180.62 2k2b h PHE 84 N 0.17 1.15 0.17 2.45 -1.00 -0.85 -1.03 116.94 118.00 2k2b h PHE 84 Ca -0.09 -0.24 0.00 0.00 2.81 0.00 0.00 57.97 60.45 2k2b h PHE 84 Cb 1.69 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 40.94 2k2b h PHE 84 CO 0.06 1.06 -0.35 -0.22 -1.61 0.00 0.00 178.31 177.25 2k2b h LYS 85 N 0.91 -0.55 0.00 1.51 3.64 -1.04 -0.30 116.57 120.74 2k2b h LYS 85 Ca 0.14 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2k2b h LYS 85 Cb 0.68 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2k2b h LYS 85 CO 0.05 -0.37 -0.03 0.93 -2.27 0.00 0.00 179.45 177.77 2k2b h GLU 86 N -0.57 0.00 0.15 1.90 4.39 -1.23 0.35 114.58 119.57 2k2b h GLU 86 Ca -0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2k2b h GLU 86 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2k2b h GLU 86 CO -0.14 0.03 -0.07 0.35 -1.16 0.00 0.00 179.01 178.01 2k2b h PHE 87 N 0.00 -0.18 0.00 4.33 3.57 -0.96 -3.41 116.94 120.29 2k2b h PHE 87 Ca -0.00 -0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.19 2k2b h PHE 87 Cb 0.07 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 2k2b h PHE 87 CO 0.00 0.09 -2.02 0.00 -2.23 0.00 0.00 178.31 174.14 2k2b n TYR 89 N -3.70 0.87 -4.10 0.00 9.36 0.12 -4.77 117.16 114.93 2k2b n TYR 89 Ca -0.35 -1.63 -0.15 0.00 3.32 0.00 0.00 57.90 59.09 2k2b n TYR 89 Cb 0.77 -1.05 -0.12 0.00 -0.63 0.00 0.00 39.34 38.31 2k2b n TYR 89 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2k2b s LYS 90 N -0.80 0.60 0.38 2.98 2.36 -1.02 -4.68 119.74 119.56 2k2b s LYS 90 Ca 0.36 -0.76 -0.26 0.00 -2.55 0.00 0.00 55.97 52.76 2k2b s LYS 90 Cb 0.23 -0.44 -0.09 0.00 -1.05 0.00 0.00 37.83 36.48 2k2b s LYS 90 CO -0.05 0.09 1.12 0.99 1.55 0.00 0.00 175.35 179.05 2k2b s THR 91 N -1.26 3.39 0.37 3.43 2.01 -1.26 -4.72 115.64 117.60 2k2b s THR 91 Ca -0.07 1.17 -0.27 0.00 0.31 0.00 0.00 61.69 62.83 2k2b s THR 91 Cb -0.09 -3.66 -0.11 0.00 0.01 0.00 0.00 72.50 68.64 2k2b s THR 91 CO 0.01 0.11 1.29 -1.20 -0.69 0.00 0.00 174.62 174.14 2k2b n SER 92 N 0.23 2.73 -3.11 3.53 7.64 -1.26 -4.84 113.62 118.53 2k2b n SER 92 Ca 0.04 1.18 -0.06 0.00 1.01 0.00 0.00 58.87 61.03 2k2b n SER 92 Cb 0.47 -1.50 -0.02 0.00 -1.01 0.00 0.00 64.21 62.15 2k2b n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k2b s ALA 93 N -1.13 -1.67 -0.77 -0.43 0.00 -1.25 -5.01 121.76 111.50 2k2b s ALA 93 Ca 0.57 -0.39 -0.24 0.00 0.00 0.00 0.00 51.96 51.90 2k2b s ALA 93 Cb -0.54 -2.53 -0.16 0.00 0.00 0.00 0.00 23.12 19.89 2k2b s ALA 93 CO 0.61 -2.20 2.39 -2.39 0.00 0.00 0.00 175.76 174.18 2k2b n HIS 94 N 3.81 1.03 0.00 0.00 1.44 -1.26 -1.00 115.22 119.24 2k2b n HIS 94 Ca 0.15 0.03 0.00 0.00 -2.01 0.00 0.00 57.72 55.89 2k2b n HIS 94 Cb 0.54 -2.32 0.00 0.00 0.12 0.00 0.00 29.99 28.33 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 6.46 0.30 3.12 -1.39 0.00 -1.26 -5.00 105.19 107.42 2k2b n GLY 95 Ca 0.49 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.54 2k2b n GLY 95 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2k2b s ILE 96 N -0.67 -0.77 0.02 -0.61 2.07 -0.17 -4.47 121.20 116.61 2k2b s ILE 96 Ca 0.00 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.14 2k2b s ILE 96 Cb 0.00 -0.48 -0.05 0.00 0.13 0.00 0.00 42.46 42.06 2k2b s ILE 96 CO 0.00 0.00 1.15 -0.65 -1.91 0.00 0.00 174.94 173.53 2k2b h PRO 97 N 7.31 -0.28 0.00 3.50 0.11 -1.73 -3.40 132.00 137.50 2k2b h PRO 97 Ca -0.01 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2k2b h PRO 97 Cb 1.19 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2k2b h PRO 97 CO 0.07 -0.19 0.00 0.00 -0.21 0.00 0.00 178.00 177.67 2k2b n MET 98 N -3.06 2.84 -0.03 1.05 0.00 -1.26 -4.46 117.12 112.21 2k2b n MET 98 Ca -0.04 0.00 0.08 0.00 0.00 0.00 0.00 57.70 57.74 2k2b n MET 98 Cb 0.13 0.00 0.47 0.00 0.00 0.00 0.00 33.22 33.82 2k2b n MET 98 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 175.97 176.94 2k2b h ILE 99 N -0.00 1.00 -3.68 3.17 6.09 -1.89 -3.42 117.51 118.79 2k2b h ILE 99 Ca 0.00 -0.16 -0.50 0.00 -1.37 0.00 0.00 64.86 62.83 2k2b h ILE 99 Cb 0.00 0.50 -0.03 0.00 0.47 0.00 0.00 36.82 37.76 2k2b h ILE 99 CO 0.00 0.09 0.08 -0.83 -3.07 0.00 0.00 178.15 174.41 2k2b s GLY 100 N -3.75 2.35 -0.13 8.18 0.00 -1.26 -5.07 107.32 107.64 2k2b s GLY 100 Ca -0.08 0.02 -0.15 0.00 0.00 0.00 0.00 44.72 44.51 2k2b s GLY 100 CO 0.74 0.23 0.34 -1.83 0.00 0.00 0.00 173.10 172.58 2k2b s GLU 101 N -2.87 4.22 0.05 2.90 -1.05 -1.26 -4.18 118.70 116.52 2k2b s GLU 101 Ca 0.52 0.20 0.08 0.00 -0.15 0.00 0.00 54.97 55.62 2k2b s GLU 101 Cb -0.11 -3.40 -0.03 0.00 -0.44 0.00 0.00 34.13 30.15 2k2b s GLU 101 CO 0.18 0.28 -0.20 0.00 0.95 0.00 0.00 175.26 176.48 2k2b s ALA 102 N 0.30 2.55 -0.24 -0.84 0.00 -1.26 -5.00 121.76 117.28 2k2b s ALA 102 Ca 0.19 -1.23 -0.31 0.00 0.00 0.00 0.00 51.96 50.61 2k2b s ALA 102 Cb -0.14 -0.68 -0.08 0.00 0.00 0.00 0.00 23.12 22.23 2k2b s ALA 102 CO 0.06 0.57 2.18 -2.30 0.00 0.00 0.00 175.76 176.27 2k2b n PRO 103 N 1.47 1.76 -2.55 0.00 -0.02 -1.26 -4.59 135.00 129.80 2k2b n PRO 103 Ca -0.16 0.50 -0.43 0.00 -2.02 0.00 0.00 63.50 61.39 2k2b n PRO 103 Cb 0.52 -2.96 -0.02 0.00 -0.02 0.00 0.00 33.50 31.02 2k2b n PRO 103 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2k2b s LEU 104 N 7.57 4.21 0.08 2.45 2.34 -1.26 -5.03 118.68 129.04 2k2b s LEU 104 Ca 1.02 1.62 0.05 0.00 0.06 0.00 0.00 54.13 56.89 2k2b s LEU 104 Cb -0.52 -3.55 -0.03 0.00 -0.56 0.00 0.00 46.19 41.53 2k2b s LEU 104 CO 0.41 -0.61 -0.13 -0.70 -1.06 0.00 0.00 176.35 174.26 2k2b s GLU 105 N 2.67 0.84 -0.27 1.48 2.56 -1.26 -5.09 118.70 119.63 2k2b s GLU 105 Ca 0.51 -1.03 -0.01 0.00 0.00 0.00 0.00 54.97 54.44 2k2b s GLU 105 Cb -0.20 -0.76 0.09 0.00 2.00 0.00 0.00 34.13 35.25 2k2b s GLU 105 CO 0.16 0.16 0.06 -1.01 -0.56 0.00 0.00 175.26 174.07 2k2b s HIS 106 N -1.62 1.62 0.29 5.30 3.76 -1.26 -4.81 115.29 118.57 2k2b s HIS 106 Ca 0.01 -1.52 -0.07 0.00 -0.15 0.00 0.00 55.06 53.33 2k2b s HIS 106 Cb -0.08 -1.53 -0.06 0.00 1.11 0.00 0.00 32.58 32.02 2k2b s HIS 106 CO 0.02 -0.80 0.59 -1.58 -0.85 0.00 0.00 174.74 172.12 2k2b s HIS 107 N 1.65 3.46 -1.03 1.40 2.46 -1.26 -4.97 115.29 117.00 2k2b s HIS 107 Ca 0.05 0.79 -0.23 0.00 0.47 0.00 0.00 55.06 56.14 2k2b s HIS 107 Cb -0.17 -2.21 -0.12 0.00 -0.13 0.00 0.00 32.58 29.94 2k2b s HIS 107 CO -0.19 0.15 1.92 0.72 -2.47 0.00 0.00 174.74 174.88 2k2b n HIS 108 N -0.76 2.35 -2.68 3.88 8.25 -1.26 -4.88 115.22 120.12 2k2b n HIS 108 Ca -0.00 -1.51 -0.42 0.00 -0.26 0.00 0.00 57.72 55.53 2k2b n HIS 108 Cb 0.53 -2.29 -0.03 0.00 1.12 0.00 0.00 29.99 29.32 2k2b n HIS 108 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k2b s HIS 109 N 9.26 2.48 0.10 4.41 5.04 -1.26 -5.01 115.29 130.30 2k2b s HIS 109 Ca 0.65 -0.35 -0.29 0.00 -1.54 0.00 0.00 55.06 53.54 2k2b s HIS 109 Cb 0.04 -4.50 -0.06 0.00 0.04 0.00 0.00 32.58 28.11 2k2b s HIS 109 CO 0.14 -1.89 0.93 -1.01 -2.34 0.00 0.00 174.74 170.57 2k2b s HIS 110 N 4.95 3.79 0.00 3.88 3.76 -1.26 -5.30 115.29 125.11 2k2b s HIS 110 Ca 0.31 1.74 0.00 0.00 -0.15 0.00 0.00 55.06 56.96 2k2b s HIS 110 Cb -0.11 -3.02 0.00 0.00 1.11 0.00 0.00 32.58 30.57 2k2b s HIS 110 CO 0.10 0.21 0.06 -2.39 -0.85 0.00 0.00 174.74 171.88