#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 4.43 -0.15 7.83 3.41 -1.26 -4.63 113.62 123.25 2k2b n SER 2 Ca 0.00 -3.05 -0.03 0.00 -0.26 0.00 0.00 58.87 55.53 2k2b n SER 2 Cb 0.00 -0.80 0.05 0.00 -0.26 0.00 0.00 64.21 63.20 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 0.90 -0.04 -0.86 7.33 -0.00 -1.99 0.37 115.95 121.66 2k2b h TRP 3 Ca 0.38 0.04 0.10 0.00 -0.00 0.00 0.00 58.89 59.41 2k2b h TRP 3 Cb 1.77 0.09 -0.08 0.00 -0.00 0.00 0.00 29.16 30.94 2k2b h TRP 3 CO 0.96 -0.11 0.50 0.52 -0.00 0.00 0.00 178.44 180.31 2k2b h MET 4 N 0.11 0.79 -0.08 0.49 2.86 -1.82 -0.84 114.93 116.44 2k2b h MET 4 Ca 0.24 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.69 2k2b h MET 4 Cb 0.35 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 2k2b h MET 4 CO -0.40 0.52 -0.57 1.96 1.06 0.00 0.00 176.91 179.49 2k2b h GLN 5 N 0.81 0.25 -0.67 1.72 1.08 -1.33 0.52 115.11 117.49 2k2b h GLN 5 Ca 0.42 -0.16 0.10 0.00 -1.45 0.00 0.00 58.65 57.56 2k2b h GLN 5 Cb 0.41 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.82 2k2b h GLN 5 CO -0.26 0.75 0.45 -0.97 -0.95 0.00 0.00 178.83 177.85 2k2b h ASN 6 N 0.19 0.48 0.14 1.46 -1.24 0.11 0.31 115.58 117.02 2k2b h ASN 6 Ca -0.00 0.01 -0.27 0.00 0.71 0.00 0.00 56.30 56.75 2k2b h ASN 6 Cb 1.06 -0.09 0.01 0.00 0.73 0.00 0.00 38.32 40.03 2k2b h ASN 6 CO 0.09 0.29 -1.33 -0.07 -1.29 0.00 0.00 177.43 175.12 2k2b h LEU 7 N 0.53 0.45 0.28 0.34 -0.00 -1.27 -3.36 115.31 112.29 2k2b h LEU 7 Ca 0.31 -0.89 -0.01 0.00 -0.00 0.00 0.00 57.88 57.29 2k2b h LEU 7 Cb 0.50 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 2k2b h LEU 7 CO -0.10 1.60 -0.13 0.50 -0.00 0.00 0.00 178.44 180.30 2k2b h LYS 8 N -0.25 -0.36 0.00 1.13 3.64 -0.10 0.21 116.57 120.85 2k2b h LYS 8 Ca -0.27 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 2k2b h LYS 8 Cb 1.80 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.70 2k2b h LYS 8 CO 0.10 -0.22 0.00 0.09 -2.27 0.00 0.00 179.45 177.16 2k2b n ASN 9 N -5.24 0.57 -0.08 4.20 4.13 0.10 -1.34 115.26 117.60 2k2b n ASN 9 Ca -0.10 0.76 0.09 0.00 1.68 0.00 0.00 54.58 57.01 2k2b n ASN 9 Cb 0.18 -0.84 0.12 0.00 -1.54 0.00 0.00 39.78 37.71 2k2b n ASN 9 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2k2b n TYR 10 N -2.26 0.02 -0.36 3.10 4.02 -0.65 -4.79 117.16 116.24 2k2b n TYR 10 Ca -0.01 -0.93 0.31 0.00 -0.01 0.00 0.00 57.90 57.26 2k2b n TYR 10 Cb 0.04 -0.14 0.63 0.00 -0.02 0.00 0.00 39.34 39.85 2k2b n TYR 10 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 2k2b h GLN 11 N 0.04 0.18 0.00 -0.72 4.20 0.68 0.12 115.11 119.61 2k2b h GLN 11 Ca 0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2k2b h GLN 11 Cb 0.94 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.68 2k2b h GLN 11 CO 0.00 0.12 -0.03 0.45 -0.67 0.00 0.00 178.83 178.70 2k2b h HIS 12 N 0.19 0.00 0.00 2.96 3.86 -1.86 -3.02 115.15 117.27 2k2b h HIS 12 Ca 0.63 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.84 2k2b h HIS 12 Cb 2.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.51 2k2b h HIS 12 CO -0.00 0.03 0.00 1.28 0.86 0.00 0.00 177.93 180.10 2k2b n LEU 13 N -3.46 0.12 0.00 2.43 7.99 0.29 -5.10 117.00 119.29 2k2b n LEU 13 Ca -0.02 -0.50 -0.20 0.00 -0.01 0.00 0.00 56.01 55.27 2k2b n LEU 13 Cb 0.14 0.00 0.09 0.00 -0.11 0.00 0.00 43.42 43.53 2k2b n LEU 13 CO 0.25 0.03 0.44 0.54 -1.51 0.00 0.00 177.39 177.14 2k2b n ARG 14 N -0.75 0.32 -2.64 3.23 5.12 -0.46 -5.12 116.66 116.35 2k2b n ARG 14 Ca 0.00 -2.90 -0.26 0.00 -1.93 0.00 0.00 57.85 52.76 2k2b n ARG 14 Cb 0.00 -0.41 0.01 0.00 -1.16 0.00 0.00 32.46 30.91 2k2b n ARG 14 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2k2b s ASP 15 N -4.71 5.96 0.00 0.55 1.01 -1.26 -4.94 116.67 113.27 2k2b s ASP 15 Ca 0.62 0.73 0.00 0.00 0.71 0.00 0.00 52.55 54.60 2k2b s ASP 15 Cb -0.04 -1.93 0.00 0.00 1.01 0.00 0.00 42.92 41.96 2k2b s ASP 15 CO 0.40 -0.76 0.43 -0.81 0.21 0.00 0.00 175.17 174.64 2k2b n PRO 16 N -2.32 0.43 -0.10 8.23 -0.04 -1.26 -3.83 135.00 136.11 2k2b n PRO 16 Ca 0.02 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.38 2k2b n PRO 16 Cb 0.56 -1.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.00 2k2b n PRO 16 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2k2b h SER 17 N 0.01 0.41 -0.67 3.54 0.87 -1.98 -1.38 113.55 114.36 2k2b h SER 17 Ca 0.00 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.39 2k2b h SER 17 Cb 0.00 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 2k2b h SER 17 CO 0.00 0.41 0.23 1.05 -0.53 0.00 0.00 176.83 177.99 2k2b h GLU 18 N 0.38 1.04 0.03 2.24 -0.00 -1.96 -1.32 114.58 114.99 2k2b h GLU 18 Ca 0.11 -0.20 0.02 0.00 -0.00 0.00 0.00 59.36 59.29 2k2b h GLU 18 Cb 0.11 -0.16 -0.03 0.00 -0.00 0.00 0.00 28.75 28.67 2k2b h GLU 18 CO -0.01 0.88 -0.16 1.88 -0.00 0.00 0.00 179.01 181.59 2k2b h TYR 19 N 1.01 -0.42 -0.42 2.06 -1.99 -1.78 -0.96 116.97 114.47 2k2b h TYR 19 Ca 0.23 0.01 0.09 0.00 2.00 0.00 0.00 58.73 61.06 2k2b h TYR 19 Cb 0.26 0.18 -0.02 0.00 2.00 0.00 0.00 36.73 39.14 2k2b h TYR 19 CO 0.02 -0.24 0.29 1.98 -0.00 0.00 0.00 178.16 180.22 2k2b h MET 20 N -0.28 0.15 0.00 4.88 4.05 -0.61 -1.03 114.93 122.09 2k2b h MET 20 Ca 0.04 -0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.38 2k2b h MET 20 Cb 0.33 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.08 2k2b h MET 20 CO -0.13 0.10 -1.13 1.03 0.23 0.00 0.00 176.91 177.01 2k2b h SER 21 N 0.16 0.00 0.12 1.39 0.87 -0.92 -3.37 113.55 111.79 2k2b h SER 21 Ca 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2k2b h SER 21 Cb 0.58 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2k2b h SER 21 CO -0.03 0.27 -1.08 0.00 -0.53 0.00 0.00 176.83 175.46 2k2b n GLN 22 N -2.80 0.12 -3.37 2.24 6.02 -0.39 -4.68 117.38 114.52 2k2b n GLN 22 Ca -0.04 -0.03 -0.22 0.00 -0.01 0.00 0.00 57.00 56.70 2k2b n GLN 22 Cb 0.68 -1.52 -0.09 0.00 1.02 0.00 0.00 30.24 30.33 2k2b n GLN 22 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2k2b s VAL 23 N -3.09 -0.07 -0.92 5.09 0.11 -0.46 -4.59 120.40 116.46 2k2b s VAL 23 Ca 0.06 -1.57 -0.18 0.00 -2.93 0.00 0.00 61.98 57.36 2k2b s VAL 23 Cb 0.16 -0.90 0.14 0.00 -1.53 0.00 0.00 36.38 34.25 2k2b s VAL 23 CO 0.85 -0.83 1.09 -0.47 -3.33 0.00 0.00 175.10 172.41 2k2b s TYR 24 N 1.00 3.21 0.00 1.54 5.04 -1.18 -4.66 117.35 122.30 2k2b s TYR 24 Ca 0.21 -1.49 0.00 0.00 -2.44 0.00 0.00 57.07 53.35 2k2b s TYR 24 Cb -0.13 -4.22 0.00 0.00 0.35 0.00 0.00 41.96 37.95 2k2b s TYR 24 CO -0.05 -1.42 0.00 0.41 -1.34 0.00 0.00 175.55 173.15 2k2b n GLY 25 N 5.26 0.71 3.30 8.97 0.00 -1.26 -3.95 105.19 118.23 2k2b n GLY 25 Ca 0.23 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 2k2b n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k2b s ASP 26 N 1.00 2.98 0.30 1.61 -1.08 -1.05 -4.92 116.67 115.52 2k2b s ASP 26 Ca 0.00 -0.47 0.09 0.00 -0.52 0.00 0.00 52.55 51.65 2k2b s ASP 26 Cb 0.00 -0.32 0.92 0.00 -1.46 0.00 0.00 42.92 42.06 2k2b s ASP 26 CO 0.00 0.30 1.42 -2.65 0.52 0.00 0.00 175.17 174.77 2k2b n PRO 27 N 2.37 -0.06 -0.09 4.34 -0.02 -1.26 -0.44 135.00 139.83 2k2b n PRO 27 Ca -0.16 1.31 0.07 0.00 -2.02 0.00 0.00 63.50 62.70 2k2b n PRO 27 Cb 0.51 -2.20 0.42 0.00 -0.02 0.00 0.00 33.50 32.22 2k2b n PRO 27 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2k2b h LEU 28 N 0.00 0.52 0.00 2.45 3.38 -1.96 -2.14 115.31 117.56 2k2b h LEU 28 Ca 0.64 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.61 2k2b h LEU 28 Cb 1.52 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.16 2k2b h LEU 28 CO -0.79 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.09 2k2b n ALA 29 N -2.48 -0.38 0.21 1.53 0.00 0.41 -1.06 120.51 118.75 2k2b n ALA 29 Ca 0.08 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.58 2k2b n ALA 29 Cb 0.20 0.06 0.46 0.00 0.00 0.00 0.00 19.45 20.17 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 0.00 0.68 0.00 -0.00 -1.69 -1.88 116.97 114.07 2k2b h TYR 30 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.70 2k2b h TYR 30 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 36.73 36.74 2k2b h TYR 30 CO 0.07 0.29 -0.33 1.25 -0.00 0.00 0.00 178.16 179.45 2k2b h LEU 31 N 0.00 -0.77 -0.14 0.10 6.46 -1.38 -2.39 115.31 117.18 2k2b h LEU 31 Ca -0.00 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2k2b h LEU 31 Cb 0.63 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 2k2b h LEU 31 CO 0.04 -0.51 0.08 1.56 -0.62 0.00 0.00 178.44 178.99 2k2b h GLN 32 N -0.97 0.20 -0.79 1.25 1.08 -0.96 -1.46 115.11 113.45 2k2b h GLN 32 Ca -0.09 -0.02 0.16 0.00 -1.45 0.00 0.00 58.65 57.25 2k2b h GLN 32 Cb 0.72 -0.04 -0.10 0.00 -0.05 0.00 0.00 27.48 28.00 2k2b h GLN 32 CO 0.15 0.21 0.30 1.49 -0.95 0.00 0.00 178.83 180.04 2k2b h GLU 33 N 0.13 0.40 -0.06 1.46 4.57 -1.39 0.29 114.58 119.98 2k2b h GLU 33 Ca 0.05 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.10 2k2b h GLU 33 Cb 0.08 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 2k2b h GLU 33 CO -0.01 0.26 -0.44 1.15 -1.18 0.00 0.00 179.01 178.79 2k2b h THR 34 N 0.41 1.32 -0.22 0.32 2.02 -1.17 0.21 112.91 115.79 2k2b h THR 34 Ca 0.45 -1.57 -0.03 0.00 0.77 0.00 0.00 66.41 66.03 2k2b h THR 34 Cb 0.73 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 2k2b h THR 34 CO -0.45 0.46 0.04 0.74 0.37 0.00 0.00 175.52 176.68 2k2b h THR 35 N 0.11 1.22 0.00 3.16 2.02 0.63 -3.40 112.91 116.66 2k2b h THR 35 Ca 0.01 -0.74 -0.14 0.00 0.77 0.00 0.00 66.41 66.31 2k2b h THR 35 Cb 0.83 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 2k2b h THR 35 CO 0.06 0.23 -1.25 0.29 0.37 0.00 0.00 175.52 175.23 2k2b n LYS 36 N -4.72 0.34 -0.57 6.66 4.01 -0.66 -5.10 118.16 118.11 2k2b n LYS 36 Ca -0.04 0.14 0.00 0.00 -0.51 0.00 0.00 58.31 57.90 2k2b n LYS 36 Cb 0.19 -1.08 -0.00 0.00 -0.51 0.00 0.00 35.03 33.64 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 -3.92 -1.57 0.00 2.13 7.35 0.72 -4.84 117.46 117.33 2k2b n PHE 37 Ca -0.20 0.85 0.00 0.00 -0.76 0.00 0.00 57.45 57.34 2k2b n PHE 37 Cb 0.52 -1.64 0.00 0.00 0.35 0.00 0.00 39.48 38.71 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 -1.92 0.00 0.00 -2.13 0.31 -1.26 -4.79 118.33 108.54 2k2b n VAL 38 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2k2b n VAL 38 Cb 0.18 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.11 2k2b n VAL 38 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 2k2b n THR 39 N 0.00 0.00 -0.40 2.52 5.66 -1.26 -3.86 114.28 116.94 2k2b n THR 39 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2k2b n THR 39 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2k2b n THR 39 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k2b n GLU 40 N 0.00 0.00 0.08 1.09 -0.58 -1.26 -4.75 120.64 115.23 2k2b n GLU 40 Ca 0.00 0.21 0.16 0.00 -0.42 0.00 0.00 57.16 57.11 2k2b n GLU 40 Cb 0.00 -0.19 0.68 0.00 -0.57 0.00 0.00 31.44 31.36 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 0.00 -0.96 3.49 -0.00 -2.01 -1.93 114.38 112.96 2k2b h ARG 41 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 59.98 60.05 2k2b h ARG 41 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 29.90 2k2b h ARG 41 CO 0.00 0.00 0.62 0.93 -0.00 0.00 0.00 179.97 181.52 2k2b h GLU 42 N 0.00 1.06 -0.16 0.08 5.08 -1.91 0.38 114.58 119.11 2k2b h GLU 42 Ca 0.17 -0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.25 2k2b h GLU 42 Cb 0.69 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 29.71 2k2b h GLU 42 CO -0.00 0.70 -0.76 1.88 -1.00 0.00 0.00 179.01 179.83 2k2b h TYR 43 N 1.09 1.04 0.00 4.33 0.05 -1.64 -2.60 116.97 119.24 2k2b h TYR 43 Ca 0.42 -0.45 0.00 0.00 0.05 0.00 0.00 58.73 58.75 2k2b h TYR 43 Cb 0.22 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 37.80 2k2b h TYR 43 CO -0.00 1.28 0.00 0.66 -1.05 0.00 0.00 178.16 179.05 2k2b n TYR 44 N -3.93 0.00 -2.92 4.88 4.02 -0.64 -4.00 117.16 114.57 2k2b n TYR 44 Ca -0.07 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.45 2k2b n TYR 44 Cb 0.74 -0.48 -0.01 0.00 -0.02 0.00 0.00 39.34 39.56 2k2b n TYR 44 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2k2b n GLU 45 N -1.48 4.34 -2.46 -0.72 1.02 0.12 -4.80 120.64 116.66 2k2b n GLU 45 Ca 0.04 -4.67 -0.01 0.00 -0.02 0.00 0.00 57.16 52.50 2k2b n GLU 45 Cb 0.17 -2.41 0.00 0.00 -0.02 0.00 0.00 31.44 29.18 2k2b n GLU 45 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2k2b n ASP 46 N 0.46 -6.71 -4.12 1.62 2.03 -1.26 -4.93 116.55 103.63 2k2b n ASP 46 Ca 0.35 1.06 -0.23 0.00 0.52 0.00 0.00 54.79 56.49 2k2b n ASP 46 Cb 0.33 -4.40 -0.15 0.00 -0.72 0.00 0.00 41.12 36.17 2k2b n ASP 46 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2k2b s PHE 47 N -1.37 1.37 -0.75 -0.67 0.40 -1.26 -5.02 117.98 110.68 2k2b s PHE 47 Ca 0.02 -0.27 -0.26 0.00 -0.60 0.00 0.00 56.93 55.82 2k2b s PHE 47 Cb -0.01 -0.89 0.02 0.00 0.51 0.00 0.00 43.02 42.66 2k2b s PHE 47 CO 0.61 -0.03 1.42 0.20 0.70 0.00 0.00 175.22 178.12 2k2b s GLY 48 N -0.32 0.78 0.19 4.36 0.00 -1.26 -4.85 107.32 106.22 2k2b s GLY 48 Ca 0.05 -1.33 -0.02 0.00 0.00 0.00 0.00 44.72 43.42 2k2b s GLY 48 CO -0.00 2.81 0.25 -1.72 0.00 0.00 0.00 173.10 174.44 2k2b n TYR 49 N 10.05 -3.66 0.00 1.90 4.01 0.33 -2.52 117.16 127.27 2k2b n TYR 49 Ca 0.10 -0.31 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 2k2b n TYR 49 Cb 0.50 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 2k2b n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2k2b n GLY 50 N 3.23 -0.40 0.05 2.72 0.00 -1.25 -4.12 105.19 105.40 2k2b n GLY 50 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 2k2b n GLY 50 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k2b n GLU 51 N -0.08 1.16 0.26 1.61 2.13 -1.26 -4.13 120.64 120.34 2k2b n GLU 51 Ca 0.00 -0.06 0.16 0.00 0.66 0.00 0.00 57.16 57.92 2k2b n GLU 51 Cb 0.00 -1.38 0.89 0.00 0.27 0.00 0.00 31.44 31.22 2k2b n GLU 51 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k2b s PHE 53 N -4.62 -1.10 0.03 0.00 5.36 -1.26 -4.77 117.98 111.62 2k2b s PHE 53 Ca -0.05 0.15 -0.27 0.00 -0.96 0.00 0.00 56.93 55.79 2k2b s PHE 53 Cb 0.15 0.20 0.08 0.00 -0.34 0.00 0.00 43.02 43.11 2k2b s PHE 53 CO 0.54 -0.75 0.69 1.21 -1.46 0.00 0.00 175.22 175.45 2k2b s ASN 54 N 1.87 -0.57 0.39 6.13 3.84 -1.26 -0.51 114.94 124.82 2k2b s ASN 54 Ca 0.16 0.33 0.20 0.00 0.21 0.00 0.00 52.86 53.76 2k2b s ASN 54 Cb -0.00 0.53 0.71 0.00 -0.55 0.00 0.00 41.25 41.94 2k2b s ASN 54 CO -0.11 -0.74 1.74 -1.28 -2.79 0.00 0.00 177.10 173.93 2k2b h SER 55 N 2.46 0.00 -3.29 -4.21 0.87 -1.93 -3.43 113.55 104.02 2k2b h SER 55 Ca -0.29 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.14 2k2b h SER 55 Cb 1.22 0.00 -0.27 0.00 -0.44 0.00 0.00 62.40 62.91 2k2b h SER 55 CO 0.37 0.34 -0.34 -0.89 -0.53 0.00 0.00 176.83 175.78 2k2b s THR 56 N -3.59 -0.03 0.03 2.23 2.01 -1.26 -5.13 115.64 109.90 2k2b s THR 56 Ca 0.00 0.10 -0.33 0.00 0.31 0.00 0.00 61.69 61.78 2k2b s THR 56 Cb 0.11 -0.55 -0.11 0.00 0.01 0.00 0.00 72.50 71.95 2k2b s THR 56 CO 0.68 0.04 1.83 -1.84 -0.69 0.00 0.00 174.62 174.64 2k2b n GLU 57 N 4.18 2.44 -1.73 4.92 0.28 -1.26 -4.94 120.64 124.53 2k2b n GLU 57 Ca -0.23 0.89 -0.30 0.00 -0.16 0.00 0.00 57.16 57.35 2k2b n GLU 57 Cb 0.55 -2.75 0.05 0.00 1.43 0.00 0.00 31.44 30.72 2k2b n GLU 57 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2k2b s SER 58 N 3.23 5.34 0.17 -1.84 0.01 -1.26 -4.98 113.70 114.38 2k2b s SER 58 Ca 0.87 1.33 -0.15 0.00 1.31 0.00 0.00 55.95 59.31 2k2b s SER 58 Cb -0.60 -2.18 0.12 0.00 0.21 0.00 0.00 66.02 63.58 2k2b s SER 58 CO 0.44 -1.43 1.71 -0.33 0.41 0.00 0.00 173.24 174.04 2k2b h GLU 59 N -0.71 0.17 -4.81 12.44 3.07 -1.93 -3.31 114.58 119.49 2k2b h GLU 59 Ca -0.45 -0.01 -0.69 0.00 -0.50 0.00 0.00 59.36 57.71 2k2b h GLU 59 Cb 1.24 -0.04 -0.19 0.00 -0.84 0.00 0.00 28.75 28.92 2k2b h GLU 59 CO 0.61 0.11 -0.30 0.08 -1.40 0.00 0.00 179.01 178.11 2k2b s VAL 60 N -6.16 5.16 0.00 3.13 1.01 -1.26 -5.02 120.40 117.26 2k2b s VAL 60 Ca -0.13 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.58 2k2b s VAL 60 Cb 0.14 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2k2b s VAL 60 CO 0.71 -0.26 0.00 0.00 0.00 0.00 0.00 175.10 175.56 2k2b n GLN 61 N 5.40 0.00 0.00 2.72 3.00 -1.25 -4.28 117.38 122.97 2k2b n GLN 61 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 2k2b n GLN 61 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.72 2k2b n GLN 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2k2b n GLU 63 N 0.00 0.37 0.17 0.00 2.13 -1.25 -3.72 120.64 118.34 2k2b n GLU 63 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 2k2b n GLU 63 Cb 0.00 -1.25 0.24 0.00 0.27 0.00 0.00 31.44 30.69 2k2b n GLU 63 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2k2b h LEU 64 N 1.16 0.00 1.56 4.31 3.38 -1.94 -3.47 115.31 120.31 2k2b h LEU 64 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 2k2b h LEU 64 Cb 0.29 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 2k2b h LEU 64 CO 0.00 0.47 -0.24 2.30 0.09 0.00 0.00 178.44 181.06 2k2b n ILE 65 N -3.51 -0.24 0.07 1.22 -5.35 -1.24 -4.79 119.36 105.51 2k2b n ILE 65 Ca 0.00 0.00 0.09 0.00 -0.27 0.00 0.00 62.75 62.57 2k2b n ILE 65 Cb 0.59 -0.64 -0.05 0.00 -1.74 0.00 0.00 39.64 37.80 2k2b n ILE 65 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 2k2b n THR 66 N -3.04 0.60 0.00 7.28 5.66 -1.26 -4.78 114.28 118.73 2k2b n THR 66 Ca -0.02 -0.57 0.00 0.00 -3.05 0.00 0.00 64.05 60.42 2k2b n THR 66 Cb 0.52 -0.33 0.00 0.00 -1.55 0.00 0.00 70.33 68.97 2k2b n THR 66 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k2b n GLY 67 N 1.23 0.00 3.11 1.09 0.00 -1.26 -5.10 105.19 104.27 2k2b n GLY 67 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 2k2b n GLY 67 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k2b s GLU 68 N 0.00 0.67 -1.20 1.61 1.03 -1.26 -4.55 118.70 115.01 2k2b s GLU 68 Ca 0.00 -1.20 -0.15 0.00 0.03 0.00 0.00 54.97 53.65 2k2b s GLU 68 Cb 0.00 0.23 0.15 0.00 -0.80 0.00 0.00 34.13 33.72 2k2b s GLU 68 CO 0.00 -0.15 0.38 1.97 -1.33 0.00 0.00 175.26 176.13 2k2b n PHE 69 N 0.07 -1.32 -1.57 4.83 1.16 -1.26 -4.79 117.46 114.58 2k2b n PHE 69 Ca -0.13 0.44 -0.48 0.00 -1.87 0.00 0.00 57.45 55.40 2k2b n PHE 69 Cb 0.61 -1.47 -0.05 0.00 -1.61 0.00 0.00 39.48 36.96 2k2b n PHE 69 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 2k2b n ASP 70 N -1.96 2.85 0.10 5.98 2.03 -1.26 -4.84 116.55 119.45 2k2b n ASP 70 Ca 0.08 0.55 0.11 0.00 0.52 0.00 0.00 54.79 56.05 2k2b n ASP 70 Cb 0.43 -1.37 0.45 0.00 -0.72 0.00 0.00 41.12 39.91 2k2b n ASP 70 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2k2b n PRO 71 N 7.79 0.15 -0.14 -0.67 -0.04 -1.26 -3.07 135.00 137.77 2k2b n PRO 71 Ca 0.32 0.36 -0.11 0.00 -0.04 0.00 0.00 63.50 64.02 2k2b n PRO 71 Cb 0.30 -1.78 -0.02 0.00 -0.04 0.00 0.00 33.50 31.97 2k2b n PRO 71 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2k2b h LYS 72 N 0.00 0.80 -0.63 0.54 1.57 -2.00 -3.10 116.57 113.75 2k2b h LYS 72 Ca 0.00 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2k2b h LYS 72 Cb 0.38 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2k2b h LYS 72 CO 0.00 0.94 0.00 1.28 -0.57 0.00 0.00 179.45 181.10 2k2b n LEU 73 N -4.30 4.27 -4.52 2.94 4.77 -1.19 -4.95 117.00 114.02 2k2b n LEU 73 Ca -0.01 -2.27 -0.42 0.00 -0.03 0.00 0.00 56.01 53.27 2k2b n LEU 73 Cb 0.38 -0.51 -0.08 0.00 -2.33 0.00 0.00 43.42 40.89 2k2b n LEU 73 CO 0.43 0.86 0.23 -0.22 -1.33 0.00 0.00 177.39 177.36 2k2b s LEU 74 N -1.51 4.54 0.26 2.23 1.98 -1.17 -4.86 118.68 120.14 2k2b s LEU 74 Ca 0.47 -0.31 -0.29 0.00 -2.89 0.00 0.00 54.13 51.12 2k2b s LEU 74 Cb 0.28 -2.56 -0.09 0.00 0.66 0.00 0.00 46.19 44.49 2k2b s LEU 74 CO 0.26 -0.59 0.93 -2.16 -1.89 0.00 0.00 176.35 172.91 2k2b s PRO 75 N 2.42 4.76 0.00 0.98 0.04 -1.26 -4.98 135.00 136.96 2k2b s PRO 75 Ca 0.18 1.42 -0.15 0.00 0.04 0.00 0.00 61.00 62.49 2k2b s PRO 75 Cb -0.16 -3.14 0.02 0.00 0.04 0.00 0.00 34.50 31.27 2k2b s PRO 75 CO 0.15 0.45 0.31 1.52 0.04 0.00 0.00 177.00 179.48 2k2b s TYR 76 N -1.30 -0.17 0.31 0.56 1.13 -1.26 -4.97 117.35 111.66 2k2b s TYR 76 Ca 0.43 0.20 0.06 0.00 -1.41 0.00 0.00 57.07 56.36 2k2b s TYR 76 Cb -0.24 0.10 -0.01 0.00 -1.10 0.00 0.00 41.96 40.71 2k2b s TYR 76 CO 0.29 -0.42 0.43 0.34 -2.51 0.00 0.00 175.55 173.69 2k2b s ASP 77 N -1.51 6.01 0.16 -0.18 2.15 -1.26 -4.90 116.67 117.14 2k2b s ASP 77 Ca -0.11 -0.14 -0.21 0.00 0.43 0.00 0.00 52.55 52.51 2k2b s ASP 77 Cb -0.04 -1.36 0.06 0.00 -0.30 0.00 0.00 42.92 41.28 2k2b s ASP 77 CO 0.02 -0.34 1.62 0.11 -0.17 0.00 0.00 175.17 176.41 2k2b h LYS 78 N 0.98 -0.21 -0.48 4.34 1.57 -1.99 0.21 116.57 121.00 2k2b h LYS 78 Ca -0.47 0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.22 2k2b h LYS 78 Cb 1.25 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 2k2b h LYS 78 CO 0.55 -0.14 -0.11 0.00 -0.57 0.00 0.00 179.45 179.18 2k2b h ARG 79 N -0.22 0.88 0.15 3.15 -0.00 -1.97 -2.31 114.38 114.06 2k2b h ARG 79 Ca 0.17 -0.31 -0.01 0.00 -0.50 0.00 0.00 59.98 59.34 2k2b h ARG 79 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.39 2k2b h ARG 79 CO -0.47 0.95 -0.07 1.25 0.00 0.00 0.00 179.97 181.62 2k2b h LEU 80 N 0.79 -0.17 -0.32 3.04 6.46 -1.50 -2.27 115.31 121.34 2k2b h LEU 80 Ca 0.13 -0.19 0.06 0.00 -0.12 0.00 0.00 57.88 57.75 2k2b h LEU 80 Cb 0.63 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.55 2k2b h LEU 80 CO 0.04 0.10 -0.00 0.00 -0.62 0.00 0.00 178.44 177.96 2k2b h ALA 81 N 0.36 0.28 -0.41 1.25 0.00 -0.60 -2.23 119.26 117.92 2k2b h ALA 81 Ca -0.02 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.07 2k2b h ALA 81 Cb 0.35 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.21 2k2b h ALA 81 CO 0.03 -0.41 -0.16 2.35 0.00 0.00 0.00 179.25 181.07 2k2b h TRP 82 N 0.09 -0.39 0.44 0.00 2.91 -1.38 -1.16 115.95 116.45 2k2b h TRP 82 Ca 0.15 0.04 -0.02 0.00 1.13 0.00 0.00 58.89 60.20 2k2b h TRP 82 Cb 0.21 0.24 0.00 0.00 -0.51 0.00 0.00 29.16 29.09 2k2b h TRP 82 CO -0.23 -0.24 -0.24 0.45 -1.03 0.00 0.00 178.44 177.15 2k2b h HIS 83 N -0.08 -0.63 0.00 2.65 3.86 -0.84 0.15 115.15 120.27 2k2b h HIS 83 Ca 0.20 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 2k2b h HIS 83 Cb 0.39 0.22 -0.00 0.00 1.06 0.00 0.00 27.41 29.07 2k2b h HIS 83 CO -0.41 -0.37 -0.04 0.74 0.86 0.00 0.00 177.93 178.71 2k2b h PHE 84 N -0.62 0.00 0.46 2.45 -1.00 -1.42 0.24 116.94 117.05 2k2b h PHE 84 Ca -0.06 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.70 2k2b h PHE 84 Cb 0.49 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.05 2k2b h PHE 84 CO 0.06 0.04 -0.22 -0.22 -1.61 0.00 0.00 178.31 176.36 2k2b h LYS 85 N 0.00 -0.59 -0.85 1.51 3.64 -1.08 -1.02 116.57 118.17 2k2b h LYS 85 Ca -0.00 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.55 2k2b h LYS 85 Cb 0.14 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.03 2k2b h LYS 85 CO 0.01 -0.33 0.55 1.49 -2.27 0.00 0.00 179.45 178.90 2k2b h GLU 86 N -1.10 0.64 0.00 1.90 4.57 0.34 0.42 114.58 121.35 2k2b h GLU 86 Ca -0.06 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2k2b h GLU 86 Cb 0.54 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 2k2b h GLU 86 CO 0.10 0.43 -0.01 0.74 -1.18 0.00 0.00 179.01 179.09 2k2b h PHE 87 N 0.66 0.00 0.00 0.92 -1.00 -0.66 -3.43 116.94 113.43 2k2b h PHE 87 Ca 0.42 0.00 -0.25 0.00 2.81 0.00 0.00 57.97 60.95 2k2b h PHE 87 Cb 0.68 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.19 2k2b h PHE 87 CO -0.00 0.00 -1.93 0.00 -1.61 0.00 0.00 178.31 174.77 2k2b n TYR 89 N -3.00 1.95 0.45 0.00 9.36 0.07 -3.96 117.16 122.02 2k2b n TYR 89 Ca -0.29 -2.14 -0.20 0.00 3.32 0.00 0.00 57.90 58.59 2k2b n TYR 89 Cb 0.80 -1.23 -0.10 0.00 -0.63 0.00 0.00 39.34 38.18 2k2b n TYR 89 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 2k2b h LYS 90 N 2.37 -1.19 0.00 2.98 1.63 -1.64 -3.43 116.57 117.28 2k2b h LYS 90 Ca 0.41 0.08 0.00 0.00 -0.85 0.00 0.00 60.65 60.29 2k2b h LYS 90 Cb 0.72 0.27 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 2k2b h LYS 90 CO 1.00 -0.79 0.00 -2.37 -3.45 0.00 0.00 179.45 173.84 2k2b n THR 91 N -5.64 0.00 -3.77 1.00 5.66 -1.26 -4.74 114.28 105.53 2k2b n THR 91 Ca -0.15 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.55 2k2b n THR 91 Cb 0.51 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.15 2k2b n THR 91 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2k2b s SER 92 N 0.00 4.00 0.48 1.09 0.01 -1.26 -4.99 113.70 113.04 2k2b s SER 92 Ca 0.00 -2.05 0.28 0.00 1.31 0.00 0.00 55.95 55.49 2k2b s SER 92 Cb 0.00 -1.03 0.89 0.00 0.21 0.00 0.00 66.02 66.10 2k2b s SER 92 CO 0.00 -0.36 1.81 0.00 0.41 0.00 0.00 173.24 175.10 2k2b h ALA 93 N 7.56 0.99 -0.17 1.44 0.00 -1.86 -3.03 119.26 124.19 2k2b h ALA 93 Ca -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k2b h ALA 93 Cb 0.99 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2k2b h ALA 93 CO 0.48 0.08 0.00 0.72 0.00 0.00 0.00 179.25 180.53 2k2b n HIS 94 N -3.15 0.21 -4.22 0.00 8.25 -1.26 -4.69 115.22 110.36 2k2b n HIS 94 Ca 0.02 -0.11 -0.19 0.00 -0.26 0.00 0.00 57.72 57.18 2k2b n HIS 94 Cb 0.42 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.37 2k2b n HIS 94 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2k2b s GLY 95 N -1.63 0.43 -0.21 -1.41 0.00 -1.15 -4.88 107.32 98.48 2k2b s GLY 95 Ca 0.34 -0.14 -0.09 0.00 0.00 0.00 0.00 44.72 44.82 2k2b s GLY 95 CO 0.28 0.19 0.18 1.39 0.00 0.00 0.00 173.10 175.14 2k2b n ILE 96 N 3.65-12.21 0.00 0.90 5.41 -1.26 -4.85 119.36 111.01 2k2b n ILE 96 Ca -0.22 2.45 0.00 0.00 1.00 0.00 0.00 62.75 65.99 2k2b n ILE 96 Cb 0.53 -6.48 0.00 0.00 -0.71 0.00 0.00 39.64 32.98 2k2b n ILE 96 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2k2b n PRO 97 N 1.50 0.00 -0.71 0.38 -0.04 -1.26 -4.75 135.00 130.12 2k2b n PRO 97 Ca -0.30 0.46 0.01 0.00 -0.04 0.00 0.00 63.50 63.62 2k2b n PRO 97 Cb 0.48 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 2k2b n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2b n MET 98 N -1.88 0.00 -3.49 0.54 0.00 -1.26 -4.78 117.12 106.25 2k2b n MET 98 Ca 0.00 -1.08 -0.10 0.00 0.00 0.00 0.00 57.70 56.52 2k2b n MET 98 Cb 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 33.22 32.88 2k2b n MET 98 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 2k2b s ILE 99 N 0.00 0.00 0.00 3.17 2.07 -1.26 -4.31 121.20 120.86 2k2b s ILE 99 Ca 0.07 -0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 2k2b s ILE 99 Cb 0.07 -1.08 0.00 0.00 0.13 0.00 0.00 42.46 41.58 2k2b s ILE 99 CO -0.03 0.00 1.03 0.61 -1.91 0.00 0.00 174.94 174.64 2k2b n GLY 100 N -0.32 1.57 3.11 1.50 0.00 -1.26 -4.73 105.19 105.07 2k2b n GLY 100 Ca -0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 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 0.63 0.73 0.61 1.61 2.56 -1.26 -5.12 118.70 118.45 2k2b s GLU 101 Ca 0.00 -0.76 -0.18 0.00 0.00 0.00 0.00 54.97 54.03 2k2b s GLU 101 Cb 0.00 -0.66 -0.03 0.00 2.00 0.00 0.00 34.13 35.44 2k2b s GLU 101 CO 0.00 0.15 1.19 0.00 -0.56 0.00 0.00 175.26 176.04 2k2b s ALA 102 N -1.06 2.51 -0.78 6.30 0.00 -1.26 -4.13 121.76 123.33 2k2b s ALA 102 Ca -0.03 0.94 -0.26 0.00 0.00 0.00 0.00 51.96 52.61 2k2b s ALA 102 Cb -0.09 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.51 2k2b s ALA 102 CO 0.01 -1.20 2.22 -2.14 0.00 0.00 0.00 175.76 174.65 2k2b s PRO 103 N -3.45 2.04 -0.04 0.00 0.02 -1.26 -4.81 135.00 127.51 2k2b s PRO 103 Ca 0.76 0.34 -0.01 0.00 0.02 0.00 0.00 61.00 62.11 2k2b s PRO 103 Cb -0.29 -4.83 -0.00 0.00 0.02 0.00 0.00 34.50 29.40 2k2b s PRO 103 CO 0.34 -3.85 0.06 1.25 -0.33 0.00 0.00 177.00 174.48 2k2b h LEU 104 N 20.25 -0.03 -9.15 -5.54 6.46 -2.02 -3.48 115.31 121.80 2k2b h LEU 104 Ca -0.01 0.00 -0.63 0.00 -0.12 0.00 0.00 57.88 57.12 2k2b h LEU 104 Cb 1.04 0.01 -0.16 0.00 -0.73 0.00 0.00 40.66 40.82 2k2b h LEU 104 CO 1.11 0.19 -0.78 -0.70 -0.62 0.00 0.00 178.44 177.63 2k2b s GLU 105 N -1.39 1.64 -0.59 1.25 2.12 -1.26 -5.10 118.70 115.36 2k2b s GLU 105 Ca -0.00 -1.64 0.04 0.00 0.36 0.00 0.00 54.97 53.73 2k2b s GLU 105 Cb 0.00 -1.83 0.16 0.00 0.26 0.00 0.00 34.13 32.73 2k2b s GLU 105 CO 0.01 0.36 0.41 -3.38 -0.54 0.00 0.00 175.26 172.13 2k2b s HIS 106 N -2.11 2.79 -0.67 5.30 -3.43 -1.26 -5.07 115.29 110.84 2k2b s HIS 106 Ca 0.26 -2.99 -0.26 0.00 -0.80 0.00 0.00 55.06 51.27 2k2b s HIS 106 Cb -0.06 -2.22 -0.07 0.00 -1.43 0.00 0.00 32.58 28.80 2k2b s HIS 106 CO 0.13 -0.65 2.20 -1.58 -2.00 0.00 0.00 174.74 172.84 2k2b s HIS 107 N -0.80 1.35 -0.36 0.38 2.46 -1.26 -4.93 115.29 112.13 2k2b s HIS 107 Ca 0.25 1.34 -0.04 0.00 0.47 0.00 0.00 55.06 57.08 2k2b s HIS 107 Cb -0.07 -3.74 0.07 0.00 -0.13 0.00 0.00 32.58 28.71 2k2b s HIS 107 CO -0.14 -2.09 0.12 -1.58 -2.47 0.00 0.00 174.74 168.58 2k2b s HIS 108 N 11.82 3.37 -0.20 3.88 5.65 -1.26 -5.07 115.29 133.49 2k2b s HIS 108 Ca 0.84 -1.90 0.00 0.00 0.25 0.00 0.00 55.06 54.26 2k2b s HIS 108 Cb -0.13 -2.60 0.02 0.00 -1.18 0.00 0.00 32.58 28.69 2k2b s HIS 108 CO 0.15 -0.84 -0.16 -1.58 -0.65 0.00 0.00 174.74 171.66 2k2b s HIS 109 N 1.27 2.86 -0.45 3.88 5.04 -1.26 -5.07 115.29 121.56 2k2b s HIS 109 Ca 0.01 -1.57 -0.26 0.00 -1.54 0.00 0.00 55.06 51.70 2k2b s HIS 109 Cb -0.21 -1.96 -0.07 0.00 0.04 0.00 0.00 32.58 30.38 2k2b s HIS 109 CO -0.01 -0.77 2.39 1.58 -2.34 0.00 0.00 174.74 175.60 2k2b n HIS 110 N 4.64 1.50 0.00 3.88 -0.00 -1.26 -5.35 115.22 118.63 2k2b n HIS 110 Ca -0.20 0.09 0.00 0.00 0.46 0.00 0.00 57.72 58.07 2k2b n HIS 110 Cb 0.49 -2.65 0.00 0.00 -0.12 0.00 0.00 29.99 27.71 2k2b n HIS 110 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52