#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2b s SER 2 N 0.00 5.51 0.24 7.83 0.01 -1.26 -4.86 113.70 121.16 2k2b s SER 2 Ca 0.00 1.68 -0.05 0.00 1.31 0.00 0.00 55.95 58.89 2k2b s SER 2 Cb 0.00 -2.51 0.37 0.00 0.21 0.00 0.00 66.02 64.08 2k2b s SER 2 CO 0.00 -1.95 1.80 -0.25 0.41 0.00 0.00 173.24 173.25 2k2b h TRP 3 N 14.75 0.79 -0.52 2.43 7.01 -1.94 -2.38 115.95 136.09 2k2b h TRP 3 Ca -0.38 0.03 0.08 0.00 2.11 0.00 0.00 58.89 60.73 2k2b h TRP 3 Cb 1.22 -0.24 -0.07 0.00 -2.10 0.00 0.00 29.16 27.98 2k2b h TRP 3 CO 0.95 0.32 0.15 0.00 -2.79 0.00 0.00 178.44 177.06 2k2b h MET 4 N 0.74 0.29 -0.03 2.65 -0.00 -1.88 -1.91 114.93 114.79 2k2b h MET 4 Ca 0.38 -0.02 -0.19 0.00 -0.00 0.00 0.00 59.70 59.87 2k2b h MET 4 Cb 0.34 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 31.87 2k2b h MET 4 CO -0.24 0.19 -0.80 -0.56 -0.00 0.00 0.00 176.91 175.49 2k2b h GLN 5 N 0.30 0.27 -0.86 -0.10 3.07 -1.29 0.17 115.11 116.66 2k2b h GLN 5 Ca 0.26 -0.25 0.19 0.00 0.09 0.00 0.00 58.65 58.94 2k2b h GLN 5 Cb 0.33 0.06 -0.06 0.00 0.08 0.00 0.00 27.48 27.89 2k2b h GLN 5 CO -0.30 0.94 0.58 -0.97 0.09 0.00 0.00 178.83 179.16 2k2b h ASN 6 N 0.17 0.38 0.12 0.06 -1.24 -0.84 0.23 115.58 114.45 2k2b h ASN 6 Ca -0.04 0.04 -0.32 0.00 0.71 0.00 0.00 56.30 56.69 2k2b h ASN 6 Cb 1.40 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 40.40 2k2b h ASN 6 CO 0.13 0.16 -1.66 -0.07 -1.29 0.00 0.00 177.43 174.70 2k2b h LEU 7 N 0.38 0.39 0.00 0.34 -0.00 -1.24 -3.38 115.31 111.80 2k2b h LEU 7 Ca 0.44 -0.86 0.00 0.00 -0.00 0.00 0.00 57.88 57.46 2k2b h LEU 7 Cb 1.13 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 2k2b h LEU 7 CO -0.15 1.72 0.00 1.17 -0.00 0.00 0.00 178.44 181.18 2k2b n LYS 8 N -3.78 0.53 0.17 1.13 4.81 0.57 -2.39 118.16 119.20 2k2b n LYS 8 Ca -0.28 0.00 0.19 0.00 -0.87 0.00 0.00 58.31 57.34 2k2b n LYS 8 Cb 0.95 -1.30 0.80 0.00 0.02 0.00 0.00 35.03 35.50 2k2b n LYS 8 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 2k2b h ASN 9 N 0.00 0.00 -4.31 3.14 -0.26 -1.17 -3.41 115.58 109.58 2k2b h ASN 9 Ca 0.00 0.00 -0.46 0.00 -0.56 0.00 0.00 56.30 55.28 2k2b h ASN 9 Cb 0.00 0.00 -0.21 0.00 -1.06 0.00 0.00 38.32 37.05 2k2b h ASN 9 CO 0.00 0.00 -0.79 -0.72 -1.06 0.00 0.00 177.43 174.86 2k2b s TYR 10 N -4.57 1.43 -0.26 1.19 1.13 -1.01 -2.97 117.35 112.29 2k2b s TYR 10 Ca -0.04 -0.46 0.02 0.00 -1.41 0.00 0.00 57.07 55.18 2k2b s TYR 10 Cb 0.15 -0.79 0.06 0.00 -1.10 0.00 0.00 41.96 40.28 2k2b s TYR 10 CO 0.52 0.12 -0.09 -1.14 -2.51 0.00 0.00 175.55 172.46 2k2b s GLN 11 N -1.94 2.03 0.84 -3.49 2.00 -1.26 -4.99 119.66 112.85 2k2b s GLN 11 Ca 0.03 -1.27 -0.08 0.00 -2.00 0.00 0.00 55.36 52.04 2k2b s GLN 11 Cb -0.09 -2.81 0.17 0.00 0.80 0.00 0.00 33.01 31.07 2k2b s GLN 11 CO 0.03 -0.59 1.15 -1.58 -0.50 0.00 0.00 175.29 173.80 2k2b s HIS 12 N 1.18 1.52 0.34 1.67 5.65 -1.26 -4.95 115.29 119.43 2k2b s HIS 12 Ca -0.07 -0.03 0.12 0.00 0.25 0.00 0.00 55.06 55.33 2k2b s HIS 12 Cb -0.20 -3.52 1.04 0.00 -1.18 0.00 0.00 32.58 28.72 2k2b s HIS 12 CO -0.06 -2.18 1.60 -0.07 -0.65 0.00 0.00 174.74 173.38 2k2b h LEU 13 N -1.06 0.07 -6.26 8.88 3.38 -2.02 -3.39 115.31 114.91 2k2b h LEU 13 Ca -0.40 0.25 0.18 0.00 0.09 0.00 0.00 57.88 58.00 2k2b h LEU 13 Cb 1.25 0.31 -0.22 0.00 0.09 0.00 0.00 40.66 42.09 2k2b h LEU 13 CO 0.38 -0.32 0.10 0.00 0.09 0.00 0.00 178.44 178.68 2k2b s ARG 14 N -5.74 0.31 -0.54 1.13 1.70 -1.26 -4.97 118.95 109.57 2k2b s ARG 14 Ca -0.11 0.66 -0.07 0.00 -0.47 0.00 0.00 55.73 55.74 2k2b s ARG 14 Cb 0.31 0.38 0.14 0.00 -0.57 0.00 0.00 34.95 35.21 2k2b s ARG 14 CO 0.78 -0.23 0.40 -0.51 -1.08 0.00 0.00 175.30 174.66 2k2b s ASP 15 N 2.72 5.63 -0.01 -2.89 1.01 -1.26 -5.00 116.67 116.87 2k2b s ASP 15 Ca 0.02 -2.26 -0.16 0.00 0.71 0.00 0.00 52.55 50.85 2k2b s ASP 15 Cb -0.09 -1.96 -0.09 0.00 1.01 0.00 0.00 42.92 41.78 2k2b s ASP 15 CO -0.16 -0.57 0.81 1.55 0.21 0.00 0.00 175.17 177.01 2k2b h PRO 16 N 7.95 -0.55 -0.50 8.23 0.13 -1.96 -2.56 132.00 142.73 2k2b h PRO 16 Ca -0.11 0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 2k2b h PRO 16 Cb 1.03 0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2k2b h PRO 16 CO 0.78 -0.37 0.29 0.77 -0.23 0.00 0.00 178.00 179.24 2k2b h SER 17 N -0.89 0.60 0.79 1.44 0.02 -1.98 0.17 113.55 113.71 2k2b h SER 17 Ca -0.06 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 2k2b h SER 17 Cb 0.44 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.84 2k2b h SER 17 CO 0.10 0.48 -0.38 -0.33 -1.14 0.00 0.00 176.83 175.56 2k2b h GLU 18 N 0.69 -1.03 -0.66 3.45 3.07 -1.97 -2.09 114.58 116.05 2k2b h GLU 18 Ca 0.18 0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 59.06 2k2b h GLU 18 Cb 0.00 0.23 -0.03 0.00 -0.84 0.00 0.00 28.75 28.11 2k2b h GLU 18 CO -0.03 -0.67 0.22 -0.92 -1.40 0.00 0.00 179.01 176.20 2k2b h TYR 19 N -1.24 1.02 -0.77 4.33 5.03 -1.33 -1.67 116.97 122.34 2k2b h TYR 19 Ca -0.11 -0.09 0.09 0.00 2.58 0.00 0.00 58.73 61.20 2k2b h TYR 19 Cb 0.83 -0.30 -0.07 0.00 1.55 0.00 0.00 36.73 38.73 2k2b h TYR 19 CO -0.00 0.81 0.42 1.98 -1.32 0.00 0.00 178.16 180.05 2k2b h MET 20 N 0.97 0.71 0.00 1.82 4.05 -0.97 -1.33 114.93 120.17 2k2b h MET 20 Ca 0.22 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.51 2k2b h MET 20 Cb 0.26 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 2k2b h MET 20 CO -0.01 0.47 -0.38 0.77 0.23 0.00 0.00 176.91 177.98 2k2b h SER 21 N 0.73 0.00 0.00 1.39 0.02 -0.96 -3.38 113.55 111.34 2k2b h SER 21 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 2k2b h SER 21 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2k2b h SER 21 CO -0.24 0.38 0.00 1.67 -1.14 0.00 0.00 176.83 177.50 2k2b n GLN 22 N -3.30 0.00 -1.73 3.45 7.27 -0.57 -4.84 117.38 117.67 2k2b n GLN 22 Ca 0.01 0.26 -0.42 0.00 0.07 0.00 0.00 57.00 56.92 2k2b n GLN 22 Cb 0.61 -0.94 -0.03 0.00 2.41 0.00 0.00 30.24 32.29 2k2b n GLN 22 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2k2b s VAL 23 N -1.06 3.12 0.11 1.69 1.01 -0.82 -4.86 120.40 119.59 2k2b s VAL 23 Ca 0.00 0.15 0.34 0.00 0.00 0.00 0.00 61.98 62.46 2k2b s VAL 23 Cb 0.00 -3.11 0.36 0.00 0.00 0.00 0.00 36.38 33.64 2k2b s VAL 23 CO 0.00 -0.03 2.00 0.22 0.00 0.00 0.00 175.10 177.30 2k2b h TYR 24 N 11.21 0.00 -2.25 5.22 3.20 -1.88 -3.46 116.97 129.01 2k2b h TYR 24 Ca -0.46 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.22 2k2b h TYR 24 Cb 1.23 0.00 0.10 0.00 1.54 0.00 0.00 36.73 39.59 2k2b h TYR 24 CO 0.94 0.00 0.01 0.41 -1.64 0.00 0.00 178.16 177.88 2k2b n GLY 25 N -0.38 -3.01 3.67 1.82 0.00 -1.26 -4.96 105.19 101.06 2k2b n GLY 25 Ca -0.00 -1.40 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 2k2b n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k2b n ASP 26 N -4.06 1.55 -0.26 1.61 8.00 -1.26 -4.91 116.55 117.22 2k2b n ASP 26 Ca 0.07 0.89 -0.07 0.00 0.71 0.00 0.00 54.79 56.39 2k2b n ASP 26 Cb 0.29 -1.46 -0.03 0.00 -0.02 0.00 0.00 41.12 39.90 2k2b n ASP 26 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2k2b h PRO 27 N 0.89 -0.15 -0.06 -0.24 0.11 -1.94 -1.34 132.00 129.26 2k2b h PRO 27 Ca -0.49 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.65 2k2b h PRO 27 Cb 1.34 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.48 2k2b h PRO 27 CO 0.54 -0.10 0.17 1.37 -0.21 0.00 0.00 178.00 179.76 2k2b h LEU 28 N -0.16 0.00 0.00 2.35 -0.00 -1.98 -2.45 115.31 113.08 2k2b h LEU 28 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 2k2b h LEU 28 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 2k2b h LEU 28 CO -0.77 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 177.67 2k2b n ALA 29 N -2.11 -0.27 0.30 0.17 0.00 -0.51 -1.00 120.51 117.08 2k2b n ALA 29 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.58 2k2b n ALA 29 Cb 0.25 0.00 0.91 0.00 0.00 0.00 0.00 19.45 20.61 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 -0.65 0.00 -0.00 -1.69 -0.79 116.97 113.84 2k2b h TYR 30 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.66 2k2b h TYR 30 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 36.70 2k2b h TYR 30 CO 0.13 0.02 0.13 -0.07 -0.00 0.00 0.00 178.16 178.37 2k2b h LEU 31 N 0.00 0.99 -0.60 0.10 3.38 -1.41 -2.05 115.31 115.72 2k2b h LEU 31 Ca -0.00 -0.21 -0.15 0.00 0.09 0.00 0.00 57.88 57.61 2k2b h LEU 31 Cb 0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2k2b h LEU 31 CO 0.00 0.97 -0.53 1.56 0.09 0.00 0.00 178.44 180.53 2k2b h GLN 32 N 0.98 0.47 0.36 1.13 4.20 0.41 -1.37 115.11 121.28 2k2b h GLN 32 Ca 0.20 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 2k2b h GLN 32 Cb 0.39 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2k2b h GLN 32 CO 0.01 0.88 -0.23 0.93 -0.67 0.00 0.00 178.83 179.74 2k2b h GLU 33 N 0.36 -0.55 -0.05 1.46 5.08 -1.20 0.24 114.58 119.92 2k2b h GLU 33 Ca 0.01 0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 2k2b h GLU 33 Cb 1.05 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2k2b h GLU 33 CO 0.09 -0.37 -0.51 0.00 -1.00 0.00 0.00 179.01 177.23 2k2b h THR 34 N -0.57 1.36 0.00 1.13 1.03 -1.41 -0.66 112.91 113.78 2k2b h THR 34 Ca -0.04 -1.75 -0.02 0.00 -0.01 0.00 0.00 66.41 64.60 2k2b h THR 34 Cb 0.48 1.89 -0.00 0.00 -1.07 0.00 0.00 68.15 69.45 2k2b h THR 34 CO 0.03 0.51 -0.10 0.74 -0.01 0.00 0.00 175.52 176.69 2k2b h THR 35 N 0.10 1.14 0.02 0.00 2.02 -1.17 -3.41 112.91 111.61 2k2b h THR 35 Ca 0.00 -1.89 -0.09 0.00 0.77 0.00 0.00 66.41 65.20 2k2b h THR 35 Cb 0.93 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 69.52 2k2b h THR 35 CO 0.07 0.39 -0.46 0.11 0.37 0.00 0.00 175.52 175.99 2k2b h LYS 36 N -1.00 0.04 -5.46 6.66 1.79 -0.64 -3.50 116.57 114.47 2k2b h LYS 36 Ca -0.02 -0.07 -0.06 0.00 -2.18 0.00 0.00 60.65 58.31 2k2b h LYS 36 Cb 0.70 0.03 0.03 0.00 -1.58 0.00 0.00 32.23 31.41 2k2b h LYS 36 CO -0.01 1.04 -0.18 0.34 -1.08 0.00 0.00 179.45 179.56 2k2b n PHE 37 N -4.48 -2.86 -2.77 -1.35 7.35 -0.26 -4.58 117.46 108.52 2k2b n PHE 37 Ca -0.17 1.08 -0.02 0.00 -0.76 0.00 0.00 57.45 57.58 2k2b n PHE 37 Cb 0.59 -4.05 -0.02 0.00 0.35 0.00 0.00 39.48 36.35 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 -2.04-10.22 0.00 -2.13 0.31 -1.26 -4.98 118.33 98.01 2k2b n VAL 38 Ca -0.03 1.89 0.00 0.00 -0.01 0.00 0.00 64.34 66.19 2k2b n VAL 38 Cb 0.53 -5.93 0.00 0.00 -0.91 0.00 0.00 33.84 27.52 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 1.34 0.00 -5.02 2.52 5.66 -1.26 -5.16 114.28 112.35 2k2b n THR 39 Ca -0.16 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.51 2k2b n THR 39 Cb 0.31 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 68.93 2k2b n THR 39 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2k2b s GLU 40 N 0.00 3.17 0.13 1.09 2.56 -1.26 -5.02 118.70 119.36 2k2b s GLU 40 Ca 0.00 -0.81 -0.19 0.00 0.00 0.00 0.00 54.97 53.97 2k2b s GLU 40 Cb 0.00 -2.43 -0.03 0.00 2.00 0.00 0.00 34.13 33.67 2k2b s GLU 40 CO 0.00 0.18 1.73 0.07 -0.56 0.00 0.00 175.26 176.68 2k2b h ARG 41 N 6.76 0.11 -0.19 4.30 0.11 -2.02 -1.51 114.38 121.94 2k2b h ARG 41 Ca -0.22 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 59.84 2k2b h ARG 41 Cb 1.23 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.27 2k2b h ARG 41 CO 0.51 0.07 0.09 1.49 0.10 0.00 0.00 179.97 182.22 2k2b h GLU 42 N 0.11 0.26 -0.70 0.08 4.81 -1.95 0.82 114.58 118.01 2k2b h GLU 42 Ca 0.10 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.41 2k2b h GLU 42 Cb 0.10 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 2k2b h GLU 42 CO -0.14 0.21 0.46 -0.92 -0.73 0.00 0.00 179.01 177.89 2k2b h TYR 43 N 0.26 0.59 -0.08 0.92 3.20 -1.65 -1.72 116.97 118.49 2k2b h TYR 43 Ca 0.07 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2k2b h TYR 43 Cb 0.04 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.12 2k2b h TYR 43 CO 0.00 0.27 0.00 2.48 -1.64 0.00 0.00 178.16 179.27 2k2b n TYR 44 N -4.49 0.20 -0.11 -3.82 0.18 -0.25 -3.76 117.16 105.12 2k2b n TYR 44 Ca 0.12 -0.79 -0.12 0.00 1.88 0.00 0.00 57.90 58.99 2k2b n TYR 44 Cb 0.37 -0.14 -0.14 0.00 -0.38 0.00 0.00 39.34 39.05 2k2b n TYR 44 CO 0.00 0.00 0.00 -1.91 -2.08 0.00 0.00 176.86 172.87 2k2b n GLU 45 N -0.83 0.76 -0.06 -3.48 2.13 0.27 -3.85 120.64 115.58 2k2b n GLU 45 Ca 0.12 0.04 -0.06 0.00 0.66 0.00 0.00 57.16 57.92 2k2b n GLU 45 Cb 0.55 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.66 2k2b n GLU 45 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2k2b n ASP 46 N -2.88 1.77 -4.64 4.31 9.92 -0.75 -3.86 116.55 120.41 2k2b n ASP 46 Ca -0.36 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 53.67 2k2b n ASP 46 Cb 1.08 0.86 -0.07 0.00 -0.64 0.00 0.00 41.12 42.35 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 -2.35 2.72 -0.57 1.24 0.08 -1.25 -4.46 117.98 113.39 2k2b s PHE 47 Ca -0.06 -0.21 0.00 0.00 0.12 0.00 0.00 56.93 56.78 2k2b s PHE 47 Cb 0.04 -1.23 0.00 0.00 -0.57 0.00 0.00 43.02 41.26 2k2b s PHE 47 CO 0.54 0.60 0.00 0.41 -0.10 0.00 0.00 175.22 176.66 2k2b n GLY 48 N -0.71 -0.82 3.89 4.36 0.00 -1.26 -4.28 105.19 106.36 2k2b n GLY 48 Ca -0.07 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 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 -4.00 3.12 0.00 1.61 -0.85 0.10 -4.38 117.35 112.95 2k2b s TYR 49 Ca 0.00 0.89 0.00 0.00 -0.52 0.00 0.00 57.07 57.44 2k2b s TYR 49 Cb 0.00 -3.30 0.00 0.00 0.38 0.00 0.00 41.96 39.04 2k2b s TYR 49 CO 0.00 -1.51 0.00 0.41 -1.52 0.00 0.00 175.55 172.93 2k2b n GLY 50 N -3.17 1.26 5.00 5.49 0.00 0.72 -4.32 105.19 110.18 2k2b n GLY 50 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.50 0.00 -3.64 1.61 2.13 -1.22 -4.25 120.64 113.76 2k2b n GLU 51 Ca 0.00 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.55 2k2b n GLU 51 Cb 0.00 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.60 2k2b n GLU 51 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k2b n PHE 53 N 2.14 0.00 -1.19 0.00 7.35 -1.26 -3.58 117.46 120.92 2k2b n PHE 53 Ca 0.24 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.74 2k2b n PHE 53 Cb 0.41 -0.26 0.15 0.00 0.35 0.00 0.00 39.48 40.13 2k2b n PHE 53 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 2k2b n ASN 54 N -1.26 -0.97 -0.29 -2.13 2.04 -1.26 -4.81 115.26 106.58 2k2b n ASN 54 Ca 0.14 -1.11 0.26 0.00 -0.44 0.00 0.00 54.58 53.44 2k2b n ASN 54 Cb 0.21 -0.68 0.61 0.00 -2.53 0.00 0.00 39.78 37.39 2k2b n ASN 54 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 2k2b h SER 55 N -1.74 0.25 -3.41 0.53 4.64 -1.90 -3.25 113.55 108.66 2k2b h SER 55 Ca -0.28 0.04 -0.77 0.00 -0.47 0.00 0.00 61.79 60.32 2k2b h SER 55 Cb 0.82 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.67 2k2b h SER 55 CO 0.19 0.06 0.06 -0.89 -0.87 0.00 0.00 176.83 175.38 2k2b s THR 56 N -5.26 5.35 0.35 2.95 2.01 -1.26 -5.06 115.64 114.72 2k2b s THR 56 Ca -0.07 -1.97 -0.26 0.00 0.31 0.00 0.00 61.69 59.70 2k2b s THR 56 Cb 0.24 -4.45 -0.09 0.00 0.01 0.00 0.00 72.50 68.20 2k2b s THR 56 CO 0.79 -1.03 1.01 -1.61 -0.69 0.00 0.00 174.62 173.10 2k2b s GLU 57 N 1.02 4.41 0.54 4.92 2.02 -1.23 -4.65 118.70 125.73 2k2b s GLU 57 Ca 0.14 1.47 0.06 0.00 0.02 0.00 0.00 54.97 56.65 2k2b s GLU 57 Cb -0.17 -2.74 0.04 0.00 0.10 0.00 0.00 34.13 31.36 2k2b s GLU 57 CO -0.04 0.09 0.41 0.45 0.02 0.00 0.00 175.26 176.20 2k2b s SER 58 N -1.50 4.65 0.00 -0.19 0.15 -1.23 -4.99 113.70 110.58 2k2b s SER 58 Ca 0.53 -1.23 0.00 0.00 0.70 0.00 0.00 55.95 55.95 2k2b s SER 58 Cb -0.22 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 2k2b s SER 58 CO 0.28 -1.11 0.00 -1.84 1.20 0.00 0.00 173.24 171.77 2k2b n GLU 59 N -1.78 0.00 -2.16 5.44 0.28 -1.26 -4.83 120.64 116.33 2k2b n GLU 59 Ca -0.01 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.72 2k2b n GLU 59 Cb 0.64 -0.27 0.15 0.00 1.43 0.00 0.00 31.44 33.39 2k2b n GLU 59 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2k2b s VAL 60 N 0.00 2.07 -1.23 3.84 -7.23 -1.26 -4.99 120.40 111.60 2k2b s VAL 60 Ca 0.00 -0.21 -0.10 0.00 -1.81 0.00 0.00 61.98 59.86 2k2b s VAL 60 Cb 0.00 -2.86 0.19 0.00 0.56 0.00 0.00 36.38 34.27 2k2b s VAL 60 CO 0.00 0.00 1.70 0.00 -0.31 0.00 0.00 175.10 176.49 2k2b n GLN 61 N -3.38 3.66 0.14 4.82 6.02 -1.26 -4.71 117.38 122.66 2k2b n GLN 61 Ca 0.14 -3.76 0.04 0.00 -0.01 0.00 0.00 57.00 53.41 2k2b n GLN 61 Cb 0.60 -2.89 0.45 0.00 1.02 0.00 0.00 30.24 29.42 2k2b n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k2b h GLU 63 N 0.21 0.00 -6.55 0.00 4.57 -1.83 -3.39 114.58 107.58 2k2b h GLU 63 Ca 0.05 0.00 -0.56 0.00 -1.18 0.00 0.00 59.36 57.67 2k2b h GLU 63 Cb 0.25 0.00 0.05 0.00 -0.16 0.00 0.00 28.75 28.90 2k2b h GLU 63 CO 0.01 0.00 0.92 -0.11 -1.18 0.00 0.00 179.01 178.65 2k2b n LEU 64 N -3.33 3.52 0.24 1.64 7.94 -1.01 -4.88 117.00 121.12 2k2b n LEU 64 Ca 0.21 1.06 0.16 0.00 -1.11 0.00 0.00 56.01 56.33 2k2b n LEU 64 Cb 1.41 -1.49 0.85 0.00 0.53 0.00 0.00 43.42 44.72 2k2b n LEU 64 CO 0.25 -0.07 1.13 -0.29 -1.11 0.00 0.00 177.39 177.30 2k2b h ILE 65 N 3.87 0.54 -0.40 1.96 2.10 -1.87 0.21 117.51 123.92 2k2b h ILE 65 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.49 2k2b h ILE 65 Cb 1.23 0.91 0.00 0.00 -1.09 0.00 0.00 36.82 37.88 2k2b h ILE 65 CO 0.92 0.00 0.00 0.41 -1.08 0.00 0.00 178.15 178.40 2k2b n THR 66 N -3.90 0.53 0.00 2.19 -1.04 -1.26 -4.58 114.28 106.22 2k2b n THR 66 Ca -0.00 -0.65 0.00 0.00 -2.04 0.00 0.00 64.05 61.36 2k2b n THR 66 Cb 0.21 0.60 0.00 0.00 -1.82 0.00 0.00 70.33 69.32 2k2b n THR 66 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k2b n GLY 67 N 1.37 0.87 0.06 3.41 0.00 0.06 -4.61 105.19 106.36 2k2b n GLY 67 Ca 0.18 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 2k2b n GLY 67 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k2b h GLU 68 N 0.00 0.06 -6.54 1.61 5.08 -1.79 -3.43 114.58 109.57 2k2b h GLU 68 Ca 0.00 -0.02 -0.48 0.00 -1.00 0.00 0.00 59.36 57.86 2k2b h GLU 68 Cb 0.00 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.26 2k2b h GLU 68 CO 0.00 0.36 -0.15 -0.59 -1.00 0.00 0.00 179.01 177.63 2k2b s PHE 69 N -4.92 1.71 -0.22 4.33 -0.12 -1.26 -2.40 117.98 115.10 2k2b s PHE 69 Ca -0.15 -0.67 -0.02 0.00 -0.05 0.00 0.00 56.93 56.04 2k2b s PHE 69 Cb 0.04 -2.21 0.07 0.00 -0.63 0.00 0.00 43.02 40.28 2k2b s PHE 69 CO 0.68 -0.94 0.04 0.34 -0.05 0.00 0.00 175.22 175.28 2k2b s ASP 70 N -4.57 3.16 -0.19 1.98 -1.08 -1.26 -4.59 116.67 110.12 2k2b s ASP 70 Ca 0.58 -0.97 0.08 0.00 -0.52 0.00 0.00 52.55 51.72 2k2b s ASP 70 Cb -0.06 -0.68 0.55 0.00 -1.46 0.00 0.00 42.92 41.27 2k2b s ASP 70 CO 0.36 -0.32 1.40 -0.81 0.52 0.00 0.00 175.17 176.32 2k2b n PRO 71 N 5.00 3.39 -0.06 4.34 -0.04 -1.26 -4.11 135.00 142.25 2k2b n PRO 71 Ca -0.08 -2.14 -0.06 0.00 -0.04 0.00 0.00 63.50 61.18 2k2b n PRO 71 Cb 0.46 -1.99 -0.02 0.00 -0.04 0.00 0.00 33.50 31.91 2k2b n PRO 71 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2k2b n LYS 72 N 0.26 0.35 0.12 0.54 4.81 -1.26 -4.67 118.16 118.30 2k2b n LYS 72 Ca 0.23 0.14 0.09 0.00 -0.87 0.00 0.00 58.31 57.89 2k2b n LYS 72 Cb 0.97 -1.11 0.02 0.00 0.02 0.00 0.00 35.03 34.93 2k2b n LYS 72 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2k2b h LEU 73 N -0.66 0.00 -9.02 3.14 6.46 -1.85 -3.47 115.31 109.91 2k2b h LEU 73 Ca 0.00 0.00 -0.66 0.00 -0.12 0.00 0.00 57.88 57.10 2k2b h LEU 73 Cb 0.66 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.60 2k2b h LEU 73 CO 0.00 0.15 1.17 -0.11 -0.62 0.00 0.00 178.44 179.03 2k2b n LEU 74 N -2.85 2.82 -4.70 2.25 -0.00 -1.16 -4.90 117.00 108.46 2k2b n LEU 74 Ca -0.01 0.80 -0.31 0.00 -0.00 0.00 0.00 56.01 56.49 2k2b n LEU 74 Cb 0.62 -1.29 0.14 0.00 -0.00 0.00 0.00 43.42 42.89 2k2b n LEU 74 CO 0.39 -0.36 0.68 -2.16 -0.00 0.00 0.00 177.39 175.94 2k2b s PRO 75 N 4.70 1.37 -0.77 1.96 0.04 -1.26 -4.93 135.00 136.11 2k2b s PRO 75 Ca 0.99 1.41 -0.26 0.00 0.04 0.00 0.00 61.00 63.19 2k2b s PRO 75 Cb -0.81 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 31.99 2k2b s PRO 75 CO 0.54 -2.34 1.26 0.71 0.04 0.00 0.00 177.00 177.21 2k2b s TYR 76 N -2.73 2.37 -0.22 0.56 2.02 -1.26 -4.97 117.35 113.11 2k2b s TYR 76 Ca 0.65 -0.22 -0.00 0.00 -0.37 0.00 0.00 57.07 57.13 2k2b s TYR 76 Cb -0.21 -4.60 0.02 0.00 -0.40 0.00 0.00 41.96 36.78 2k2b s TYR 76 CO 0.57 -2.01 -0.11 -0.51 -1.57 0.00 0.00 175.55 171.92 2k2b s ASP 77 N 3.88 3.93 0.00 2.29 1.01 -1.26 -5.08 116.67 121.43 2k2b s ASP 77 Ca 0.35 -0.82 0.00 0.00 0.71 0.00 0.00 52.55 52.79 2k2b s ASP 77 Cb -0.08 -1.59 0.00 0.00 1.01 0.00 0.00 42.92 42.26 2k2b s ASP 77 CO 0.11 -0.08 0.64 0.29 0.21 0.00 0.00 175.17 176.34 2k2b n LYS 78 N 4.63 0.00 0.01 8.23 4.76 -1.26 -0.35 118.16 134.18 2k2b n LYS 78 Ca -0.18 0.37 -0.00 0.00 -2.87 0.00 0.00 58.31 55.64 2k2b n LYS 78 Cb 0.48 -1.14 0.30 0.00 -1.84 0.00 0.00 35.03 32.83 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 0.50 -0.12 1.97 3.08 -1.99 -0.48 114.38 117.33 2k2b h ARG 79 Ca 0.00 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 59.95 2k2b h ARG 79 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2k2b h ARG 79 CO 0.00 0.54 0.04 1.25 -1.07 0.00 0.00 179.97 180.73 2k2b h LEU 80 N 0.47 0.04 0.09 3.04 6.46 -2.00 -2.33 115.31 121.09 2k2b h LEU 80 Ca 0.10 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.87 2k2b h LEU 80 Cb 0.35 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.29 2k2b h LEU 80 CO 0.01 0.04 -0.04 0.00 -0.62 0.00 0.00 178.44 177.83 2k2b h ALA 81 N 1.08 -0.12 -0.49 1.25 0.00 -0.03 -1.27 119.26 119.69 2k2b h ALA 81 Ca 0.05 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2k2b h ALA 81 Cb 0.03 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.78 2k2b h ALA 81 CO -0.06 -0.53 -0.55 2.35 0.00 0.00 0.00 179.25 180.46 2k2b h TRP 82 N -0.20 -1.71 -0.04 0.00 2.91 -1.01 0.18 115.95 116.08 2k2b h TRP 82 Ca -0.01 0.09 -0.03 0.00 1.13 0.00 0.00 58.89 60.07 2k2b h TRP 82 Cb 0.16 0.81 0.00 0.00 -0.51 0.00 0.00 29.16 29.62 2k2b h TRP 82 CO -0.05 -0.46 -0.09 0.45 -1.03 0.00 0.00 178.44 177.26 2k2b h HIS 83 N -0.33 0.16 -0.50 2.65 -0.00 -1.41 0.03 115.15 115.75 2k2b h HIS 83 Ca 0.08 -0.06 -0.05 0.00 -0.00 0.00 0.00 60.37 60.34 2k2b h HIS 83 Cb 0.56 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.91 2k2b h HIS 83 CO -0.77 0.69 0.09 0.74 -0.00 0.00 0.00 177.93 178.68 2k2b h PHE 84 N -0.41 0.81 0.18 2.45 -1.00 -1.17 0.19 116.94 117.98 2k2b h PHE 84 Ca -0.00 -0.08 -0.01 0.00 2.81 0.00 0.00 57.97 60.69 2k2b h PHE 84 Cb 0.69 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 40.01 2k2b h PHE 84 CO 0.13 0.70 -0.09 0.87 -1.61 0.00 0.00 178.31 178.31 2k2b h LYS 85 N 0.75 -0.23 0.00 1.51 1.57 -0.67 -0.82 116.57 118.68 2k2b h LYS 85 Ca 0.16 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2k2b h LYS 85 Cb 0.32 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2k2b h LYS 85 CO 0.00 0.14 0.00 0.39 -0.57 0.00 0.00 179.45 179.41 2k2b n GLU 86 N -5.01 0.26 0.00 3.15 4.71 -0.00 -0.03 120.64 123.72 2k2b n GLU 86 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.06 2k2b n GLU 86 Cb 0.25 -1.40 0.00 0.00 -1.01 0.00 0.00 31.44 29.28 2k2b n GLU 86 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 2k2b n PHE 87 N -0.90 0.00 -0.05 -0.32 3.01 0.64 -0.72 117.46 119.12 2k2b n PHE 87 Ca 0.05 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.41 2k2b n PHE 87 Cb 0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.35 2k2b n PHE 87 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2k2b h TYR 89 N 0.00 0.46 -2.90 0.00 -1.99 -1.21 -3.41 116.97 107.93 2k2b h TYR 89 Ca -0.37 -0.34 -0.57 0.00 2.00 0.00 0.00 58.73 59.45 2k2b h TYR 89 Cb 2.09 -0.02 -0.09 0.00 2.00 0.00 0.00 36.73 40.71 2k2b h TYR 89 CO 0.00 1.30 0.89 0.21 -0.00 0.00 0.00 178.16 180.56 2k2b s LYS 90 N -2.41 3.35 0.08 4.88 2.20 0.96 -4.18 119.74 124.63 2k2b s LYS 90 Ca -0.15 -0.08 0.27 0.00 -0.36 0.00 0.00 55.97 55.65 2k2b s LYS 90 Cb 0.01 -4.09 0.98 0.00 -1.51 0.00 0.00 37.83 33.22 2k2b s LYS 90 CO 0.81 -1.80 1.80 0.25 -0.36 0.00 0.00 175.35 176.05 2k2b n THR 91 N 6.43 0.24 -1.91 3.43 -2.24 -1.26 -0.20 114.28 118.77 2k2b n THR 91 Ca 0.05 -0.12 -0.32 0.00 -2.27 0.00 0.00 64.05 61.38 2k2b n THR 91 Cb 0.48 -0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 68.22 2k2b n THR 91 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2k2b s SER 92 N -3.63 4.94 -0.30 3.42 0.15 -1.26 -4.49 113.70 112.54 2k2b s SER 92 Ca 0.12 0.16 0.02 0.00 0.70 0.00 0.00 55.95 56.96 2k2b s SER 92 Cb 0.16 -2.53 0.07 0.00 -1.71 0.00 0.00 66.02 62.01 2k2b s SER 92 CO 0.58 -2.73 -0.03 0.00 1.20 0.00 0.00 173.24 172.26 2k2b s ALA 93 N 10.51 2.73 -0.37 5.45 0.00 -1.26 -4.59 121.76 134.23 2k2b s ALA 93 Ca 0.76 -2.04 0.02 0.00 0.00 0.00 0.00 51.96 50.70 2k2b s ALA 93 Cb -0.12 -1.78 0.15 0.00 0.00 0.00 0.00 23.12 21.37 2k2b s ALA 93 CO 0.14 -1.38 0.29 -1.01 0.00 0.00 0.00 175.76 173.80 2k2b s HIS 94 N 1.06 0.45 0.00 0.00 3.76 -1.26 -5.04 115.29 114.26 2k2b s HIS 94 Ca -0.02 -1.52 0.00 0.00 -0.15 0.00 0.00 55.06 53.37 2k2b s HIS 94 Cb -0.20 -0.74 0.00 0.00 1.11 0.00 0.00 32.58 32.75 2k2b s HIS 94 CO -0.05 -0.88 0.00 0.41 -0.85 0.00 0.00 174.74 173.37 2k2b n GLY 95 N 3.83 -0.19 2.98 -2.22 0.00 -1.26 -5.03 105.19 103.30 2k2b n GLY 95 Ca 0.15 -1.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.13 2k2b n GLY 95 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k2b n ILE 96 N 0.00 -6.83 -1.77 -0.61 -0.00 -1.26 -4.82 119.36 104.07 2k2b n ILE 96 Ca 0.00 1.11 -0.42 0.00 -0.00 0.00 0.00 62.75 63.45 2k2b n ILE 96 Cb 0.00 -4.90 -0.00 0.00 -0.00 0.00 0.00 39.64 34.74 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 0.95 3.02 -3.57 0.38 -0.04 -1.26 -4.81 135.00 129.66 2k2b n PRO 97 Ca 0.00 -2.69 -0.06 0.00 -0.04 0.00 0.00 63.50 60.72 2k2b n PRO 97 Cb 0.28 -3.21 -0.02 0.00 -0.04 0.00 0.00 33.50 30.52 2k2b n PRO 97 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 2k2b s MET 98 N 2.76 0.60 0.00 0.54 0.00 -1.25 -4.45 119.30 117.49 2k2b s MET 98 Ca 0.48 -0.24 -0.04 0.00 0.00 0.00 0.00 55.69 55.89 2k2b s MET 98 Cb 0.14 0.26 -0.16 0.00 0.00 0.00 0.00 34.83 35.07 2k2b s MET 98 CO -0.08 -0.26 2.62 0.44 0.00 0.00 0.00 175.02 177.74 2k2b n ILE 99 N -0.21 2.18 0.00 10.11 -5.35 -1.26 -4.59 119.36 120.23 2k2b n ILE 99 Ca -0.05 -0.98 0.00 0.00 -0.27 0.00 0.00 62.75 61.45 2k2b n ILE 99 Cb 0.60 -1.77 0.00 0.00 -1.74 0.00 0.00 39.64 36.74 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 2.34 -1.07 2.84 3.28 0.00 -1.26 -4.97 105.19 106.36 2k2b n GLY 100 Ca 0.25 0.49 -0.25 0.00 0.00 0.00 0.00 46.02 46.52 2k2b n GLY 100 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k2b s GLU 101 N 0.00 1.09 0.10 1.61 2.02 -1.26 -5.00 118.70 117.26 2k2b s GLU 101 Ca 0.00 -0.09 0.05 0.00 0.02 0.00 0.00 54.97 54.95 2k2b s GLU 101 Cb 0.00 -1.29 -0.03 0.00 0.10 0.00 0.00 34.13 32.91 2k2b s GLU 101 CO 0.00 -0.28 -0.13 0.00 0.02 0.00 0.00 175.26 174.87 2k2b s ALA 102 N 1.80 1.29 0.92 5.21 0.00 -1.26 -4.95 121.76 124.77 2k2b s ALA 102 Ca 0.04 -1.17 -0.15 0.00 0.00 0.00 0.00 51.96 50.68 2k2b s ALA 102 Cb -0.12 -0.05 0.17 0.00 0.00 0.00 0.00 23.12 23.12 2k2b s ALA 102 CO -0.07 0.09 1.28 -1.25 0.00 0.00 0.00 175.76 175.81 2k2b s PRO 103 N -2.41 0.93 0.00 0.00 0.04 -1.26 -4.60 135.00 127.70 2k2b s PRO 103 Ca 0.05 -0.34 0.27 0.00 0.04 0.00 0.00 61.00 61.01 2k2b s PRO 103 Cb -0.06 -1.89 0.94 0.00 0.04 0.00 0.00 34.50 33.53 2k2b s PRO 103 CO 0.02 -2.22 1.72 1.28 0.04 0.00 0.00 177.00 177.84 2k2b n LEU 104 N -3.65 0.21 -4.90 -3.56 4.32 -1.26 -4.70 117.00 103.47 2k2b n LEU 104 Ca 0.14 0.30 -0.24 0.00 -0.02 0.00 0.00 56.01 56.18 2k2b n LEU 104 Cb 0.60 -0.40 -0.01 0.00 -1.62 0.00 0.00 43.42 41.99 2k2b n LEU 104 CO 0.48 0.05 0.05 -1.61 -1.22 0.00 0.00 177.39 175.14 2k2b s GLU 105 N -3.00 2.32 0.00 3.23 2.02 -1.26 -4.71 118.70 117.29 2k2b s GLU 105 Ca 0.13 -1.87 0.00 0.00 0.02 0.00 0.00 54.97 53.25 2k2b s GLU 105 Cb 0.18 -2.20 0.00 0.00 0.10 0.00 0.00 34.13 32.21 2k2b s GLU 105 CO 0.60 -0.51 0.00 0.72 0.02 0.00 0.00 175.26 176.09 2k2b n HIS 106 N -1.72 0.00 -1.20 1.61 8.25 -1.26 -4.96 115.22 115.94 2k2b n HIS 106 Ca 0.01 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.16 2k2b n HIS 106 Cb 0.63 -0.63 0.10 0.00 1.12 0.00 0.00 29.99 31.21 2k2b n HIS 106 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2k2b s HIS 107 N -1.79 2.47 0.26 4.41 -3.43 -1.26 -4.92 115.29 111.03 2k2b s HIS 107 Ca 0.00 1.58 -0.29 0.00 -0.80 0.00 0.00 55.06 55.55 2k2b s HIS 107 Cb 0.00 -3.08 -0.14 0.00 -1.43 0.00 0.00 32.58 27.93 2k2b s HIS 107 CO 0.00 -1.91 1.09 1.58 -2.00 0.00 0.00 174.74 173.50 2k2b n HIS 108 N -3.60 1.41 -2.00 0.38 -0.00 -1.25 -4.77 115.22 105.38 2k2b n HIS 108 Ca 0.09 0.67 -0.26 0.00 -0.00 0.00 0.00 57.72 58.22 2k2b n HIS 108 Cb 0.53 -2.28 -0.07 0.00 -0.00 0.00 0.00 29.99 28.17 2k2b n HIS 108 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k2b s HIS 109 N -0.78 1.84 -0.30 1.57 2.46 -1.26 -4.73 115.29 114.08 2k2b s HIS 109 Ca 0.62 0.76 -0.19 0.00 0.47 0.00 0.00 55.06 56.72 2k2b s HIS 109 Cb -0.72 -3.89 0.20 0.00 -0.13 0.00 0.00 32.58 28.03 2k2b s HIS 109 CO 0.57 -1.12 1.31 -1.58 -2.47 0.00 0.00 174.74 171.45 2k2b s HIS 110 N 11.97 -0.04 -2.57 3.88 5.65 -1.26 -5.25 115.29 127.68 2k2b s HIS 110 Ca 0.70 0.07 0.27 0.00 0.25 0.00 0.00 55.06 56.36 2k2b s HIS 110 Cb -0.01 0.02 0.93 0.00 -1.18 0.00 0.00 32.58 32.34 2k2b s HIS 110 CO 0.14 -0.02 1.68 -2.39 -0.65 0.00 0.00 174.74 173.50