#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rkb n GLU 12 N 0.00 1.47 -1.35 -1.09 -0.58 -1.26 -4.92 120.64 112.91 2rkb n GLU 12 Ca 0.00 0.53 -0.32 0.00 -0.42 0.00 0.00 57.16 56.95 2rkb n GLU 12 Cb 0.00 -2.23 0.09 0.00 -0.57 0.00 0.00 31.44 28.74 2rkb n GLU 12 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2rkb s PRO 13 N 1.25 2.18 0.24 3.49 0.04 -1.26 -4.94 135.00 135.99 2rkb s PRO 13 Ca 0.85 1.44 0.24 0.00 0.04 0.00 0.00 61.00 63.57 2rkb s PRO 13 Cb -0.88 -1.87 0.37 0.00 0.04 0.00 0.00 34.50 32.16 2rkb s PRO 13 CO 0.47 -1.74 1.43 0.74 0.04 0.00 0.00 177.00 177.94 2rkb h PHE 14 N -0.71 0.00 -4.40 0.56 0.04 -1.89 -3.46 116.94 107.08 2rkb h PHE 14 Ca -0.45 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 59.82 2rkb h PHE 14 Cb 1.26 0.00 0.07 0.00 2.20 0.00 0.00 35.95 39.48 2rkb h PHE 14 CO 0.53 0.00 0.41 -3.38 -0.60 0.00 0.00 178.31 175.27 2rkb s HIS 15 N -3.21 3.46 0.27 -0.55 -3.43 -1.26 -4.77 115.29 105.80 2rkb s HIS 15 Ca 0.06 1.15 0.12 0.00 -0.80 0.00 0.00 55.06 55.58 2rkb s HIS 15 Cb 0.10 -2.90 -0.05 0.00 -1.43 0.00 0.00 32.58 28.30 2rkb s HIS 15 CO 0.70 -0.95 -0.19 0.14 -2.00 0.00 0.00 174.74 172.44 2rkb s VAL 16 N -3.27 2.56 -0.45 -5.38 -7.23 -1.26 -5.04 120.40 100.33 2rkb s VAL 16 Ca 0.57 -2.33 -0.28 0.00 -1.81 0.00 0.00 61.98 58.12 2rkb s VAL 16 Cb -0.11 -2.34 -0.00 0.00 0.56 0.00 0.00 36.38 34.49 2rkb s VAL 16 CO 0.53 -0.37 1.57 -0.69 -0.31 0.00 0.00 175.10 175.83 2rkb s VAL 17 N -2.42 3.69 0.43 1.32 1.01 -1.26 -4.97 120.40 118.20 2rkb s VAL 17 Ca 0.29 0.65 -0.21 0.00 0.00 0.00 0.00 61.98 62.71 2rkb s VAL 17 Cb -0.05 -4.08 -0.11 0.00 0.00 0.00 0.00 36.38 32.13 2rkb s VAL 17 CO 0.15 -0.79 0.95 0.42 0.00 0.00 0.00 175.10 175.83 2rkb s THR 18 N 6.45 4.38 0.44 3.92 -4.23 -1.26 -5.03 115.64 120.31 2rkb s THR 18 Ca 0.65 1.48 -0.25 0.00 -1.18 0.00 0.00 61.69 62.39 2rkb s THR 18 Cb -0.15 -3.60 -0.08 0.00 1.34 0.00 0.00 72.50 70.01 2rkb s THR 18 CO 0.29 -0.32 1.32 -2.84 -0.54 0.00 0.00 174.62 172.53 2rkb s PRO 19 N -3.19 3.78 -0.64 3.99 0.02 -1.26 -4.77 135.00 132.93 2rkb s PRO 19 Ca 0.62 2.18 -0.02 0.00 0.02 0.00 0.00 61.00 63.80 2rkb s PRO 19 Cb -0.09 -2.63 0.16 0.00 0.02 0.00 0.00 34.50 31.96 2rkb s PRO 19 CO 0.13 -0.66 0.46 -1.17 -0.33 0.00 0.00 177.00 175.43 2rkb s LEU 20 N -2.70 5.14 -0.03 -5.54 2.96 -1.26 -1.63 118.68 115.63 2rkb s LEU 20 Ca 0.60 -3.00 -0.20 0.00 -0.22 0.00 0.00 54.13 51.31 2rkb s LEU 20 Cb -0.38 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.43 2rkb s LEU 20 CO 0.49 -0.32 0.57 -0.76 -1.32 0.00 0.00 176.35 175.00 2rkb s LEU 21 N -0.28 4.39 -0.17 -0.68 1.43 -0.40 -4.78 118.68 118.19 2rkb s LEU 21 Ca 0.18 1.08 -0.25 0.00 -1.03 0.00 0.00 54.13 54.12 2rkb s LEU 21 Cb -0.19 -2.86 -0.02 0.00 0.03 0.00 0.00 46.19 43.15 2rkb s LEU 21 CO -0.04 0.09 0.80 -0.70 0.23 0.00 0.00 176.35 176.73 2rkb s GLU 22 N -0.06 4.30 -0.27 1.70 2.12 -1.26 0.11 118.70 125.34 2rkb s GLU 22 Ca 0.30 0.96 -0.13 0.00 0.36 0.00 0.00 54.97 56.46 2rkb s GLU 22 Cb -0.17 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 2rkb s GLU 22 CO 0.16 -0.29 0.27 0.45 -0.54 0.00 0.00 175.26 175.30 2rkb s SER 23 N 1.14 6.14 0.03 -1.70 0.15 1.00 -4.96 113.70 115.50 2rkb s SER 23 Ca 0.37 0.14 -0.28 0.00 0.70 0.00 0.00 55.95 56.89 2rkb s SER 23 Cb -0.17 -2.16 -0.17 0.00 -1.71 0.00 0.00 66.02 61.82 2rkb s SER 23 CO 0.13 -0.10 1.30 -0.25 1.20 0.00 0.00 173.24 175.51 2rkb h TRP 24 N 8.18 -0.66 -0.08 3.44 7.01 -1.96 0.17 115.95 132.06 2rkb h TRP 24 Ca -0.34 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 60.68 2rkb h TRP 24 Cb 1.18 0.22 -0.05 0.00 -2.10 0.00 0.00 29.16 28.41 2rkb h TRP 24 CO 0.75 -0.33 -0.19 0.00 -2.79 0.00 0.00 178.44 175.88 2rkb h ALA 25 N -0.63 -0.17 -0.67 2.65 0.00 -1.94 0.33 119.26 118.83 2rkb h ALA 25 Ca -0.07 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2rkb h ALA 25 Cb 0.62 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2rkb h ALA 25 CO 0.12 -0.66 0.41 -0.07 0.00 0.00 0.00 179.25 179.05 2rkb h LEU 26 N -0.26 0.67 -0.09 0.00 -0.00 -1.93 -1.24 115.31 112.45 2rkb h LEU 26 Ca 0.08 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.97 2rkb h LEU 26 Cb 0.38 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.89 2rkb h LEU 26 CO -0.24 0.46 0.03 0.28 -0.00 0.00 0.00 178.44 178.98 2rkb h SER 27 N 0.80 0.05 -0.20 -0.43 0.02 0.15 0.25 113.55 114.20 2rkb h SER 27 Ca 0.27 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.29 2rkb h SER 27 Cb 0.04 -0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.52 2rkb h SER 27 CO -0.12 0.04 -0.25 1.56 -1.14 0.00 0.00 176.83 176.92 2rkb h GLN 28 N 0.08 -0.27 -0.24 3.45 1.08 0.15 0.32 115.11 119.69 2rkb h GLN 28 Ca 0.04 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 2rkb h GLN 28 Cb 0.01 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2rkb h GLN 28 CO -0.03 -0.18 0.12 0.28 -0.95 0.00 0.00 178.83 178.07 2rkb h VAL 29 N -0.28 1.13 0.00 -0.54 2.07 -0.95 -2.88 116.25 114.79 2rkb h VAL 29 Ca 0.12 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 2rkb h VAL 29 Cb 0.47 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2rkb h VAL 29 CO -0.36 0.13 -0.22 0.00 0.02 0.00 0.00 177.57 177.14 2rkb h ALA 30 N 1.00 1.12 0.00 1.67 0.00 -0.11 -3.47 119.26 119.47 2rkb h ALA 30 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2rkb h ALA 30 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2rkb h ALA 30 CO -0.01 0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.92 2rkb n GLY 31 N -0.16 0.43 3.54 0.00 0.00 0.11 -4.74 105.19 104.37 2rkb n GLY 31 Ca -0.01 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 2rkb n GLY 31 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2rkb s MET 32 N -2.23 0.69 0.13 1.61 0.23 -1.04 -5.01 119.30 113.69 2rkb s MET 32 Ca 0.00 -0.13 -0.32 0.00 -1.03 0.00 0.00 55.69 54.21 2rkb s MET 32 Cb 0.00 0.32 -0.12 0.00 -1.53 0.00 0.00 34.83 33.51 2rkb s MET 32 CO 0.00 -0.28 1.78 -0.35 -2.03 0.00 0.00 175.02 174.14 2rkb n PRO 33 N 0.10 2.65 -4.49 3.16 -0.04 -1.26 -4.22 135.00 130.90 2rkb n PRO 33 Ca -0.08 0.96 -0.33 0.00 -0.04 0.00 0.00 63.50 64.01 2rkb n PRO 33 Cb 0.60 -2.83 -0.15 0.00 -0.04 0.00 0.00 33.50 31.09 2rkb n PRO 33 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2rkb s VAL 34 N 2.24 2.93 -0.12 0.52 1.01 -1.26 -1.72 120.40 124.01 2rkb s VAL 34 Ca 0.81 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 2rkb s VAL 34 Cb -0.53 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 2rkb s VAL 34 CO 0.37 0.50 -0.08 -0.36 0.00 0.00 0.00 175.10 175.54 2rkb s PHE 35 N 0.77 2.93 -0.29 5.22 0.40 -0.04 -0.00 117.98 126.97 2rkb s PHE 35 Ca -0.05 -0.27 -0.10 0.00 -0.60 0.00 0.00 56.93 55.91 2rkb s PHE 35 Cb -0.15 -1.83 -0.03 0.00 0.51 0.00 0.00 43.02 41.51 2rkb s PHE 35 CO 0.01 0.05 0.15 -0.51 0.70 0.00 0.00 175.22 175.63 2rkb s LEU 36 N -0.08 3.93 -0.64 -0.37 1.43 0.30 -0.38 118.68 122.88 2rkb s LEU 36 Ca 0.00 -0.24 -0.22 0.00 -1.03 0.00 0.00 54.13 52.64 2rkb s LEU 36 Cb -0.13 -2.04 0.07 0.00 0.03 0.00 0.00 46.19 44.12 2rkb s LEU 36 CO 0.03 -0.10 0.93 -0.75 0.23 0.00 0.00 176.35 176.69 2rkb s LYS 37 N 1.68 3.12 -1.15 1.70 2.47 -0.39 -1.27 119.74 125.90 2rkb s LYS 37 Ca 0.06 -0.84 -0.20 0.00 -1.56 0.00 0.00 55.97 53.43 2rkb s LYS 37 Cb -0.16 -4.22 -0.05 0.00 -1.46 0.00 0.00 37.83 31.94 2rkb s LYS 37 CO 0.08 -1.76 1.91 0.00 0.16 0.00 0.00 175.35 175.74 2rkb n GLU 39 N 7.80 0.29 0.20 0.00 -0.58 -0.50 -2.72 120.64 125.12 2rkb n GLU 39 Ca 0.48 0.05 0.14 0.00 -0.42 0.00 0.00 57.16 57.41 2rkb n GLU 39 Cb 0.44 -1.50 0.54 0.00 -0.57 0.00 0.00 31.44 30.36 2rkb n GLU 39 CO 0.00 0.00 0.00 -2.95 -0.48 0.00 0.00 177.13 173.70 2rkb h ASN 40 N 0.00 0.00 -0.73 1.62 -1.07 -1.55 -2.88 115.58 110.97 2rkb h ASN 40 Ca 0.00 0.00 -0.41 0.00 0.07 0.00 0.00 56.30 55.96 2rkb h ASN 40 Cb 0.28 0.00 -0.24 0.00 -2.07 0.00 0.00 38.32 36.29 2rkb h ASN 40 CO 0.00 0.00 0.29 1.33 0.07 0.00 0.00 177.43 179.12 2rkb n VAL 41 N -2.68 2.97 -3.22 6.14 0.24 -1.10 -4.62 118.33 116.06 2rkb n VAL 41 Ca 0.02 -2.58 -0.34 0.00 -2.04 0.00 0.00 64.34 59.40 2rkb n VAL 41 Cb 0.30 -0.56 -0.06 0.00 -1.47 0.00 0.00 33.84 32.05 2rkb n VAL 41 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2rkb s GLN 42 N -3.38 4.06 0.32 7.34 -1.52 -1.09 -4.98 119.66 120.41 2rkb s GLN 42 Ca 0.53 0.64 0.07 0.00 -1.95 0.00 0.00 55.36 54.65 2rkb s GLN 42 Cb 0.45 -2.75 0.91 0.00 -0.22 0.00 0.00 33.01 31.40 2rkb s GLN 42 CO 0.04 0.35 1.58 -1.00 -0.25 0.00 0.00 175.29 176.01 2rkb h PRO 43 N 3.06 0.02 -0.01 2.91 0.13 -1.87 0.14 132.00 136.38 2rkb h PRO 43 Ca -0.48 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2rkb h PRO 43 Cb 1.19 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2rkb h PRO 43 CO 0.66 0.01 -0.05 -1.13 -0.23 0.00 0.00 178.00 177.26 2rkb n SER 44 N -5.42 0.60 0.00 1.44 3.41 -1.26 -4.89 113.62 107.50 2rkb n SER 44 Ca 0.27 -0.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.96 2rkb n SER 44 Cb 0.90 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.82 2rkb n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rkb n GLY 45 N 1.18 0.46 3.82 5.00 0.00 0.48 -4.62 105.19 111.50 2rkb n GLY 45 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 2rkb n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rkb s SER 46 N -2.04 -0.14 0.65 1.61 1.04 -1.23 -1.84 113.70 111.76 2rkb s SER 46 Ca 0.00 -0.67 0.41 0.00 0.48 0.00 0.00 55.95 56.17 2rkb s SER 46 Cb 0.00 0.64 2.26 0.00 0.10 0.00 0.00 66.02 69.02 2rkb s SER 46 CO 0.00 -1.22 2.34 2.19 0.98 0.00 0.00 173.24 177.53 2rkb h PHE 47 N 2.00 0.00 -1.01 5.02 -5.15 -1.55 -3.21 116.94 113.04 2rkb h PHE 47 Ca -0.25 0.00 0.35 0.00 -0.20 0.00 0.00 57.97 57.88 2rkb h PHE 47 Cb 1.24 0.00 -0.16 0.00 0.22 0.00 0.00 35.95 37.25 2rkb h PHE 47 CO 0.75 0.00 0.57 0.87 -2.00 0.00 0.00 178.31 178.51 2rkb h LYS 48 N 0.00 0.21 -0.12 6.09 1.79 -1.91 0.11 116.57 122.75 2rkb h LYS 48 Ca 0.00 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.49 2rkb h LYS 48 Cb 0.02 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.62 2rkb h LYS 48 CO -0.00 0.14 0.21 0.97 -1.08 0.00 0.00 179.45 179.69 2rkb h ILE 49 N 0.22 0.26 0.08 1.86 6.09 -1.90 -0.95 117.51 123.18 2rkb h ILE 49 Ca 0.77 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 64.26 2rkb h ILE 49 Cb 1.87 0.82 0.00 0.00 0.47 0.00 0.00 36.82 39.98 2rkb h ILE 49 CO -0.65 0.00 -0.04 0.03 -3.07 0.00 0.00 178.15 174.42 2rkb h ARG 50 N 0.00 -0.11 0.13 2.19 3.08 -1.05 0.27 114.38 118.88 2rkb h ARG 50 Ca 0.05 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2rkb h ARG 50 Cb 0.47 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2rkb h ARG 50 CO -0.00 -0.07 -0.06 0.78 -1.07 0.00 0.00 179.97 179.55 2rkb h GLY 51 N -0.12 -0.18 1.28 0.04 0.00 -1.62 -2.12 103.07 100.36 2rkb h GLY 51 Ca -0.01 0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 2rkb h GLY 51 CO 0.02 -0.07 0.31 -2.22 0.00 0.00 0.00 176.54 174.59 2rkb h ILE 52 N -0.45 1.21 -0.43 2.60 2.04 -1.31 0.18 117.51 121.36 2rkb h ILE 52 Ca -0.02 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 2rkb h ILE 52 Cb 0.36 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 2rkb h ILE 52 CO 0.03 0.25 0.19 1.23 0.00 0.00 0.00 178.15 179.85 2rkb h GLY 53 N 1.01 0.68 1.06 5.37 0.00 -0.43 -1.16 103.07 109.61 2rkb h GLY 53 Ca 0.23 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 47.12 2rkb h GLY 53 CO -0.03 0.34 0.09 0.84 0.00 0.00 0.00 176.54 177.77 2rkb h HIS 54 N 0.55 1.15 -0.09 5.60 -0.00 -0.83 -1.45 115.15 120.09 2rkb h HIS 54 Ca 0.15 -0.17 0.03 0.00 -0.00 0.00 0.00 60.37 60.38 2rkb h HIS 54 Cb 0.16 -0.31 -0.03 0.00 -0.00 0.00 0.00 27.41 27.23 2rkb h HIS 54 CO -0.00 0.98 -0.08 0.35 -0.00 0.00 0.00 177.93 179.18 2rkb h PHE 55 N 0.99 -0.18 -0.74 5.26 3.57 -0.32 -0.92 116.94 124.61 2rkb h PHE 55 Ca 0.19 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 2rkb h PHE 55 Cb 0.46 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 2rkb h PHE 55 CO 0.03 -0.12 0.34 0.00 -2.23 0.00 0.00 178.31 176.34 2rkb h GLN 57 N 1.05 0.93 -0.26 0.00 4.20 -0.87 0.97 115.11 121.13 2rkb h GLN 57 Ca 0.25 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.80 2rkb h GLN 57 Cb 0.14 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2rkb h GLN 57 CO -0.03 0.68 -0.11 0.93 -0.67 0.00 0.00 178.83 179.63 2rkb h GLU 58 N 0.94 0.53 -0.36 1.46 4.39 -0.71 -1.59 114.58 119.24 2rkb h GLU 58 Ca 0.24 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2rkb h GLU 58 Cb 0.02 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2rkb h GLU 58 CO -0.04 0.78 0.23 0.52 -1.16 0.00 0.00 179.01 179.34 2rkb h MET 59 N 0.26 0.48 0.27 2.33 2.86 -0.75 0.91 114.93 121.29 2rkb h MET 59 Ca 0.06 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2rkb h MET 59 Cb 0.61 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2rkb h MET 59 CO 0.04 0.32 -0.13 0.00 1.06 0.00 0.00 176.91 178.20 2rkb h ALA 60 N 1.77 -0.36 -0.74 6.32 0.00 -0.46 0.27 119.26 126.05 2rkb h ALA 60 Ca 0.13 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.01 2rkb h ALA 60 Cb -0.04 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 2rkb h ALA 60 CO -0.03 -0.64 0.39 0.87 0.00 0.00 0.00 179.25 179.84 2rkb h LYS 61 N -0.49 0.63 0.00 0.00 1.57 -0.34 0.25 116.57 118.19 2rkb h LYS 61 Ca -0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2rkb h LYS 61 Cb 0.36 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2rkb h LYS 61 CO 0.06 0.42 0.00 1.17 -0.57 0.00 0.00 179.45 180.53 2rkb n LYS 62 N -4.83 0.31 -1.35 3.15 4.81 0.22 -4.81 118.16 115.66 2rkb n LYS 62 Ca 0.12 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 2rkb n LYS 62 Cb 0.28 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.83 2rkb n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2rkb n GLY 63 N -0.28 1.00 3.72 3.14 0.00 0.86 -5.05 105.19 108.59 2rkb n GLY 63 Ca 0.08 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 2rkb n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rkb n ARG 65 N 3.30 2.71 -3.65 0.00 3.00 0.30 -4.74 116.66 117.58 2rkb n ARG 65 Ca 0.05 -0.22 -0.06 0.00 -0.01 0.00 0.00 57.85 57.61 2rkb n ARG 65 Cb 0.49 -1.09 -0.07 0.00 0.00 0.00 0.00 32.46 31.79 2rkb n ARG 65 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2rkb s HIS 66 N -1.95 -1.06 -0.14 -1.55 2.46 -0.83 -4.12 115.29 108.10 2rkb s HIS 66 Ca 0.06 2.03 -0.05 0.00 0.47 0.00 0.00 55.06 57.58 2rkb s HIS 66 Cb 0.09 0.61 -0.03 0.00 -0.13 0.00 0.00 32.58 33.12 2rkb s HIS 66 CO 0.43 -0.53 0.02 -0.51 -2.47 0.00 0.00 174.74 171.68 2rkb s LEU 67 N 1.97 3.64 0.12 8.88 1.43 -0.27 -1.58 118.68 132.87 2rkb s LEU 67 Ca -0.08 0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.17 2rkb s LEU 67 Cb -0.08 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2rkb s LEU 67 CO -0.18 0.25 -0.20 0.54 0.23 0.00 0.00 176.35 176.99 2rkb s VAL 68 N -0.12 1.76 -0.09 -1.59 0.11 -0.37 -0.35 120.40 119.77 2rkb s VAL 68 Ca 0.05 -1.66 -0.17 0.00 -2.93 0.00 0.00 61.98 57.26 2rkb s VAL 68 Cb -0.12 -1.66 0.04 0.00 -1.53 0.00 0.00 36.38 33.11 2rkb s VAL 68 CO 0.02 -0.13 0.43 0.00 -3.33 0.00 0.00 175.10 172.08 2rkb n SER 70 N 1.94 3.62 -4.53 0.00 3.41 -1.26 -0.95 113.62 115.84 2rkb n SER 70 Ca -0.17 -2.37 -0.37 0.00 -0.26 0.00 0.00 58.87 55.69 2rkb n SER 70 Cb 0.57 -0.40 -0.12 0.00 -0.26 0.00 0.00 64.21 64.00 2rkb n SER 70 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2rkb s SER 71 N -1.24 5.69 0.00 4.04 0.15 -1.26 -4.78 113.70 116.30 2rkb s SER 71 Ca 0.35 -0.10 0.27 0.00 0.70 0.00 0.00 55.95 57.17 2rkb s SER 71 Cb 0.23 -2.05 0.84 0.00 -1.71 0.00 0.00 66.02 63.33 2rkb s SER 71 CO 0.17 -0.05 1.62 0.61 1.20 0.00 0.00 173.24 176.79 2rkb n GLY 72 N 5.01 -0.13 0.00 9.45 0.00 -1.26 -2.93 105.19 115.33 2rkb n GLY 72 Ca -0.15 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2rkb n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rkb n GLY 73 N 1.25 1.26 0.29 -0.02 0.00 -1.26 -4.72 105.19 101.99 2rkb n GLY 73 Ca 0.16 -1.57 -0.02 0.00 0.00 0.00 0.00 46.02 44.60 2rkb n GLY 73 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2rkb h ASN 74 N 0.00 0.64 -0.44 1.61 2.35 -1.96 -1.66 115.58 116.12 2rkb h ASN 74 Ca 0.00 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2rkb h ASN 74 Cb 0.00 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 2rkb h ASN 74 CO 0.00 0.67 0.26 0.00 -1.65 0.00 0.00 177.43 176.71 2rkb h ALA 75 N 1.42 0.56 -0.16 -0.83 0.00 -1.92 -1.16 119.26 117.17 2rkb h ALA 75 Ca 0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2rkb h ALA 75 Cb 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2rkb h ALA 75 CO 0.00 0.06 0.09 0.78 0.00 0.00 0.00 179.25 180.18 2rkb h GLY 76 N 0.58 0.23 0.76 0.00 0.00 -1.30 0.19 103.07 103.54 2rkb h GLY 76 Ca 0.16 -0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.43 2rkb h GLY 76 CO -0.03 0.10 0.39 -2.22 0.00 0.00 0.00 176.54 174.78 2rkb h ILE 77 N 0.17 1.02 -0.00 2.60 2.04 -1.17 0.18 117.51 122.35 2rkb h ILE 77 Ca 0.06 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 2rkb h ILE 77 Cb 0.05 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 2rkb h ILE 77 CO -0.01 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.28 2rkb h ALA 78 N 1.32 0.00 -0.13 1.87 0.00 -0.88 0.10 119.26 121.54 2rkb h ALA 78 Ca 0.29 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.20 2rkb h ALA 78 Cb 0.12 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 2rkb h ALA 78 CO -0.15 -0.45 -0.32 0.00 0.00 0.00 0.00 179.25 178.33 2rkb h ALA 79 N 0.91 -0.37 -0.36 0.00 0.00 0.11 0.21 119.26 119.76 2rkb h ALA 79 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2rkb h ALA 79 Cb 0.09 0.61 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 2rkb h ALA 79 CO -0.00 -0.79 0.01 0.00 0.00 0.00 0.00 179.25 178.46 2rkb h ALA 80 N 0.43 0.33 0.19 0.00 0.00 -0.48 0.11 119.26 119.84 2rkb h ALA 80 Ca 0.10 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2rkb h ALA 80 Cb 0.54 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2rkb h ALA 80 CO -0.35 -0.39 -0.26 -0.92 0.00 0.00 0.00 179.25 177.32 2rkb h TYR 81 N 0.11 -0.70 -0.46 0.00 3.20 0.09 0.61 116.97 119.83 2rkb h TYR 81 Ca 0.18 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.11 2rkb h TYR 81 Cb 0.24 0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.74 2rkb h TYR 81 CO -0.24 -0.37 0.17 0.00 -1.64 0.00 0.00 178.16 176.07 2rkb h ALA 82 N 0.17 0.56 -0.33 1.82 0.00 -0.28 -0.59 119.26 120.60 2rkb h ALA 82 Ca 0.01 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2rkb h ALA 82 Cb 0.50 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2rkb h ALA 82 CO -0.10 -0.22 0.10 0.00 0.00 0.00 0.00 179.25 179.03 2rkb h ALA 83 N 1.30 0.37 -0.08 0.00 0.00 -0.39 -1.12 119.26 119.35 2rkb h ALA 83 Ca 0.22 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.18 2rkb h ALA 83 Cb 0.21 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2rkb h ALA 83 CO -0.21 -0.30 0.00 -0.09 0.00 0.00 0.00 179.25 178.65 2rkb h ARG 84 N 0.23 0.03 0.00 0.00 2.43 -0.19 0.26 114.38 117.15 2rkb h ARG 84 Ca 0.15 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2rkb h ARG 84 Cb 0.14 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2rkb h ARG 84 CO -0.17 0.02 0.00 0.87 -1.51 0.00 0.00 179.97 179.18 2rkb h LYS 85 N 0.03 0.00 -0.01 0.20 1.79 -0.74 0.37 116.57 118.21 2rkb h LYS 85 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2rkb h LYS 85 Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2rkb h LYS 85 CO -0.06 0.00 -0.54 1.28 -1.08 0.00 0.00 179.45 179.05 2rkb n LEU 86 N -2.52 1.80 -1.25 2.94 4.77 -0.08 -4.96 117.00 117.71 2rkb n LEU 86 Ca -0.01 -0.68 -0.12 0.00 -0.03 0.00 0.00 56.01 55.16 2rkb n LEU 86 Cb 0.07 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 2rkb n LEU 86 CO 0.14 0.35 -0.14 0.61 -1.33 0.00 0.00 177.39 177.01 2rkb n GLY 87 N 1.43 0.37 3.49 -0.72 0.00 0.12 -5.01 105.19 104.87 2rkb n GLY 87 Ca 0.09 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 2rkb n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rkb s ILE 88 N -2.56 3.36 0.29 -0.61 1.01 -0.56 -5.03 121.20 117.10 2rkb s ILE 88 Ca 0.00 -0.59 -0.30 0.00 0.00 0.00 0.00 60.65 59.76 2rkb s ILE 88 Cb 0.00 -2.38 -0.13 0.00 0.01 0.00 0.00 42.46 39.97 2rkb s ILE 88 CO 0.00 0.57 1.41 -2.65 0.00 0.00 0.00 174.94 174.27 2rkb n PRO 89 N 2.69 2.22 -5.12 2.79 -0.02 -1.26 -4.28 135.00 132.02 2rkb n PRO 89 Ca -0.18 0.79 -0.32 0.00 -2.02 0.00 0.00 63.50 61.77 2rkb n PRO 89 Cb 0.53 -2.45 -0.16 0.00 -0.02 0.00 0.00 33.50 31.40 2rkb n PRO 89 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2rkb s ALA 90 N -0.44 2.29 -0.12 3.55 0.00 -1.26 -1.12 121.76 124.66 2rkb s ALA 90 Ca 0.62 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.62 2rkb s ALA 90 Cb -0.58 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 21.68 2rkb s ALA 90 CO 0.54 0.32 -0.13 0.99 0.00 0.00 0.00 175.76 177.49 2rkb s THR 91 N 0.19 1.37 -0.20 0.00 2.01 0.53 -1.60 115.64 117.94 2rkb s THR 91 Ca -0.13 -0.53 -0.05 0.00 0.31 0.00 0.00 61.69 61.29 2rkb s THR 91 Cb -0.16 -1.29 -0.03 0.00 0.01 0.00 0.00 72.50 71.03 2rkb s THR 91 CO 0.07 0.42 0.01 -0.63 -0.69 0.00 0.00 174.62 173.80 2rkb s ILE 92 N 1.31 4.09 -0.23 1.82 -1.09 0.08 -0.63 121.20 126.55 2rkb s ILE 92 Ca -0.00 -0.27 0.02 0.00 -2.23 0.00 0.00 60.65 58.16 2rkb s ILE 92 Cb -0.14 -2.85 0.04 0.00 -1.58 0.00 0.00 42.46 37.94 2rkb s ILE 92 CO -0.06 0.43 -0.13 0.54 -1.23 0.00 0.00 174.94 174.50 2rkb s VAL 93 N 0.87 2.26 0.40 2.92 0.11 -0.12 -1.00 120.40 125.83 2rkb s VAL 93 Ca 0.01 -1.32 0.07 0.00 -2.93 0.00 0.00 61.98 57.81 2rkb s VAL 93 Cb -0.14 -2.19 -0.08 0.00 -1.53 0.00 0.00 36.38 32.44 2rkb s VAL 93 CO 0.02 0.18 -0.01 -0.76 -3.33 0.00 0.00 175.10 171.20 2rkb s LEU 94 N 1.20 2.83 0.76 2.54 2.01 -0.77 -4.34 118.68 122.90 2rkb s LEU 94 Ca -0.03 -1.34 -0.11 0.00 0.01 0.00 0.00 54.13 52.66 2rkb s LEU 94 Cb -0.17 -0.90 0.04 0.00 0.01 0.00 0.00 46.19 45.17 2rkb s LEU 94 CO -0.07 -0.41 1.08 -2.16 1.01 0.00 0.00 176.35 175.79 2rkb s PRO 95 N -3.70 2.43 0.64 1.29 0.04 -1.26 -1.47 135.00 132.96 2rkb s PRO 95 Ca 0.35 0.87 0.39 0.00 0.04 0.00 0.00 61.00 62.65 2rkb s PRO 95 Cb 0.09 -1.94 2.18 0.00 0.04 0.00 0.00 34.50 34.87 2rkb s PRO 95 CO 0.18 -1.44 2.31 0.93 0.04 0.00 0.00 177.00 179.02 2rkb h GLU 96 N -0.97 0.00 0.00 4.56 5.08 -0.48 -0.69 114.58 122.09 2rkb h GLU 96 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2rkb h GLU 96 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2rkb h GLU 96 CO 0.57 0.01 0.00 0.66 -1.00 0.00 0.00 179.01 179.24 2rkb h SER 97 N 0.00 0.00 -2.01 1.42 4.64 -1.79 -3.46 113.55 112.36 2rkb h SER 97 Ca -0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 2rkb h SER 97 Cb 0.04 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.20 2rkb h SER 97 CO 0.00 0.00 0.39 0.41 -0.87 0.00 0.00 176.83 176.76 2rkb n THR 98 N -2.61 0.66 -2.21 2.95 -1.04 -0.27 -4.92 114.28 106.84 2rkb n THR 98 Ca 0.02 -0.16 -0.39 0.00 -2.04 0.00 0.00 64.05 61.48 2rkb n THR 98 Cb 0.30 -0.97 -0.01 0.00 -1.82 0.00 0.00 70.33 67.83 2rkb n THR 98 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2rkb s SER 99 N 0.19 6.43 0.33 8.00 0.15 -1.26 -4.94 113.70 122.60 2rkb s SER 99 Ca 0.75 2.45 0.00 0.00 0.70 0.00 0.00 55.95 59.85 2rkb s SER 99 Cb -0.83 -2.62 0.55 0.00 -1.71 0.00 0.00 66.02 61.40 2rkb s SER 99 CO 0.50 -0.75 1.98 0.25 1.20 0.00 0.00 173.24 176.42 2rkb h LEU 100 N 2.63 0.80 -1.54 3.45 7.12 -1.98 -1.52 115.31 124.28 2rkb h LEU 100 Ca -0.49 -0.03 0.01 0.00 0.13 0.00 0.00 57.88 57.50 2rkb h LEU 100 Cb 1.24 -0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 41.14 2rkb h LEU 100 CO 0.62 0.61 0.33 0.06 -0.13 0.00 0.00 178.44 179.92 2rkb h GLN 101 N 0.94 0.61 -0.07 1.25 3.07 -1.99 0.53 115.11 119.45 2rkb h GLN 101 Ca 0.25 -0.04 -0.02 0.00 0.09 0.00 0.00 58.65 58.93 2rkb h GLN 101 Cb -0.06 -0.14 -0.00 0.00 0.08 0.00 0.00 27.48 27.36 2rkb h GLN 101 CO -0.05 0.41 -0.05 0.28 0.09 0.00 0.00 178.83 179.51 2rkb h VAL 102 N 0.63 1.35 -0.28 1.86 2.07 -1.68 -1.94 116.25 118.27 2rkb h VAL 102 Ca 0.19 -1.15 0.05 0.00 0.82 0.00 0.00 66.70 66.61 2rkb h VAL 102 Cb -0.02 1.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 2rkb h VAL 102 CO -0.04 0.32 -0.02 0.58 0.02 0.00 0.00 177.57 178.43 2rkb h VAL 103 N -0.26 0.78 -0.60 2.57 2.07 -0.90 -1.59 116.25 118.32 2rkb h VAL 103 Ca 0.01 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.52 2rkb h VAL 103 Cb 0.53 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2rkb h VAL 103 CO 0.01 0.01 0.40 1.56 0.02 0.00 0.00 177.57 179.57 2rkb h GLN 104 N 0.06 0.78 -0.63 1.57 4.20 -0.93 -0.45 115.11 119.71 2rkb h GLN 104 Ca 0.13 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.82 2rkb h GLN 104 Cb 0.18 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 2rkb h GLN 104 CO -0.24 0.51 0.40 -0.09 -0.67 0.00 0.00 178.83 178.75 2rkb h ARG 105 N 0.80 0.78 -0.35 1.46 9.65 -0.84 0.20 114.38 126.08 2rkb h ARG 105 Ca 0.23 -0.05 -0.11 0.00 -1.10 0.00 0.00 59.98 58.95 2rkb h ARG 105 Cb -0.07 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.32 2rkb h ARG 105 CO -0.06 0.51 -0.24 -0.07 2.80 0.00 0.00 179.97 182.91 2rkb h LEU 106 N 0.80 0.70 -1.36 3.80 3.38 -0.95 -1.61 115.31 120.06 2rkb h LEU 106 Ca 0.25 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2rkb h LEU 106 Cb -0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2rkb h LEU 106 CO -0.08 0.92 -0.32 1.56 0.09 0.00 0.00 178.44 180.61 2rkb h GLN 107 N 0.60 0.00 0.00 1.13 4.20 -0.42 -0.54 115.11 120.07 2rkb h GLN 107 Ca 0.08 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2rkb h GLN 107 Cb 0.73 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 2rkb h GLN 107 CO 0.06 0.32 -0.05 0.78 -0.67 0.00 0.00 178.83 179.26 2rkb h GLY 108 N 1.06 0.00 -1.23 3.46 0.00 0.39 0.47 103.07 107.22 2rkb h GLY 108 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2rkb h GLY 108 CO 0.04 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.76 2rkb n GLU 109 N -3.58 1.94 -0.82 4.80 -0.58 -0.23 -4.92 120.64 117.25 2rkb n GLU 109 Ca -0.02 -1.42 0.00 0.00 -0.42 0.00 0.00 57.16 55.30 2rkb n GLU 109 Cb 0.16 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 2rkb n GLU 109 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rkb n GLY 110 N 1.23 0.52 3.88 0.62 0.00 0.16 -4.59 105.19 107.00 2rkb n GLY 110 Ca 0.17 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 2rkb n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rkb s ALA 111 N -2.00 3.90 0.30 4.61 0.00 -1.08 -4.61 121.76 122.87 2rkb s ALA 111 Ca 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 51.96 50.96 2rkb s ALA 111 Cb 0.00 -1.75 -0.08 0.00 0.00 0.00 0.00 23.12 21.28 2rkb s ALA 111 CO 0.00 0.79 0.68 -1.83 0.00 0.00 0.00 175.76 175.41 2rkb s GLU 112 N -2.35 3.95 -0.25 0.00 -1.05 -0.63 -3.96 118.70 114.41 2rkb s GLU 112 Ca 0.32 0.56 0.02 0.00 -0.15 0.00 0.00 54.97 55.72 2rkb s GLU 112 Cb -0.13 -2.49 0.06 0.00 -0.44 0.00 0.00 34.13 31.14 2rkb s GLU 112 CO 0.25 0.20 -0.07 0.08 0.95 0.00 0.00 175.26 176.67 2rkb s VAL 113 N -1.94 1.79 -0.25 1.83 1.01 -1.26 -0.74 120.40 120.84 2rkb s VAL 113 Ca 0.52 -1.44 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 2rkb s VAL 113 Cb -0.10 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 2rkb s VAL 113 CO 0.18 -0.11 0.24 -1.10 0.00 0.00 0.00 175.10 174.31 2rkb s GLN 114 N 1.26 4.04 -0.40 2.72 -0.21 -0.17 -5.00 119.66 121.90 2rkb s GLN 114 Ca -0.06 -0.17 -0.14 0.00 0.02 0.00 0.00 55.36 55.01 2rkb s GLN 114 Cb -0.19 -3.59 0.02 0.00 1.00 0.00 0.00 33.01 30.24 2rkb s GLN 114 CO -0.06 -0.07 0.29 -0.51 -2.12 0.00 0.00 175.29 172.81 2rkb s LEU 115 N 1.45 5.01 -0.02 2.90 2.01 -1.26 -1.84 118.68 126.93 2rkb s LEU 115 Ca 0.10 -0.85 -0.01 0.00 0.01 0.00 0.00 54.13 53.38 2rkb s LEU 115 Cb -0.15 -2.15 0.01 0.00 0.01 0.00 0.00 46.19 43.92 2rkb s LEU 115 CO 0.08 -0.42 0.05 0.42 1.01 0.00 0.00 176.35 177.49 2rkb s THR 116 N 1.68 -0.02 0.00 5.49 -4.23 -0.54 -4.71 115.64 113.31 2rkb s THR 116 Ca 0.05 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 2rkb s THR 116 Cb -0.19 -0.08 0.00 0.00 1.34 0.00 0.00 72.50 73.57 2rkb s THR 116 CO 0.10 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 2rkb n GLY 117 N 3.38 1.82 0.12 3.99 0.00 -1.26 -3.55 105.19 109.68 2rkb n GLY 117 Ca -0.16 -1.71 -0.17 0.00 0.00 0.00 0.00 46.02 43.98 2rkb n GLY 117 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2rkb h LYS 118 N 0.00 0.19 -6.35 1.61 1.63 -1.96 0.36 116.57 112.04 2rkb h LYS 118 Ca 0.00 -0.33 -0.60 0.00 -0.85 0.00 0.00 60.65 58.87 2rkb h LYS 118 Cb 0.00 0.12 -0.12 0.00 -0.60 0.00 0.00 32.23 31.63 2rkb h LYS 118 CO 0.00 0.99 -0.70 0.54 -3.45 0.00 0.00 179.45 176.83 2rkb s VAL 119 N -2.58 3.29 0.29 2.00 0.11 -1.26 -4.34 120.40 117.91 2rkb s VAL 119 Ca -0.14 -1.74 0.04 0.00 -2.93 0.00 0.00 61.98 57.21 2rkb s VAL 119 Cb 0.07 -2.67 0.29 0.00 -1.53 0.00 0.00 36.38 32.54 2rkb s VAL 119 CO 0.81 -0.20 1.80 -0.25 -3.33 0.00 0.00 175.10 173.93 2rkb h TRP 120 N 2.57 1.09 -0.61 1.54 7.01 -1.94 -2.52 115.95 123.09 2rkb h TRP 120 Ca -0.46 0.03 0.12 0.00 2.11 0.00 0.00 58.89 60.70 2rkb h TRP 120 Cb 1.22 -0.33 -0.10 0.00 -2.10 0.00 0.00 29.16 27.85 2rkb h TRP 120 CO 0.66 0.31 0.04 -0.44 -2.79 0.00 0.00 178.44 176.23 2rkb h ASP 121 N 0.84 -0.19 -0.55 2.65 3.32 -1.97 0.11 116.42 120.64 2rkb h ASP 121 Ca 0.55 0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.78 2rkb h ASP 121 Cb 0.74 0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.48 2rkb h ASP 121 CO -0.34 -0.08 0.30 -0.33 -1.72 0.00 0.00 179.24 177.07 2rkb h GLU 122 N 0.15 0.56 -0.81 3.56 5.08 -1.79 0.26 114.58 121.60 2rkb h GLU 122 Ca 0.32 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 2rkb h GLU 122 Cb 0.51 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 2rkb h GLU 122 CO -0.49 0.37 0.42 0.00 -1.00 0.00 0.00 179.01 178.31 2rkb h ALA 123 N 1.28 1.04 -0.28 3.43 0.00 -1.20 0.28 119.26 123.82 2rkb h ALA 123 Ca 0.24 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2rkb h ALA 123 Cb 0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2rkb h ALA 123 CO -0.15 0.58 0.07 -0.97 0.00 0.00 0.00 179.25 178.78 2rkb h ASN 124 N 1.14 0.42 -0.79 0.00 -1.24 0.17 -0.14 115.58 115.14 2rkb h ASN 124 Ca 0.28 -0.22 0.02 0.00 0.71 0.00 0.00 56.30 57.09 2rkb h ASN 124 Cb 0.07 -0.11 -0.04 0.00 0.73 0.00 0.00 38.32 38.96 2rkb h ASN 124 CO -0.04 0.53 0.51 -0.07 -1.29 0.00 0.00 177.43 177.08 2rkb h LEU 125 N 0.28 0.87 -1.11 0.34 4.07 -0.16 -1.46 115.31 118.13 2rkb h LEU 125 Ca 0.09 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.03 2rkb h LEU 125 Cb 0.28 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 41.77 2rkb h LEU 125 CO 0.00 0.61 0.52 -0.09 -1.08 0.00 0.00 178.44 178.40 2rkb h ARG 126 N 1.02 1.12 -0.53 1.13 9.65 -0.52 0.36 114.38 126.61 2rkb h ARG 126 Ca 0.30 -0.09 -0.04 0.00 -1.10 0.00 0.00 59.98 59.06 2rkb h ARG 126 Cb -0.05 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 28.27 2rkb h ARG 126 CO -0.09 0.77 0.18 0.00 2.80 0.00 0.00 179.97 183.63 2rkb h ALA 127 N 1.43 0.69 -0.54 2.80 0.00 -0.05 -1.83 119.26 121.76 2rkb h ALA 127 Ca 0.30 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2rkb h ALA 127 Cb -0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2rkb h ALA 127 CO -0.06 0.34 -0.01 1.96 0.00 0.00 0.00 179.25 181.48 2rkb h GLN 128 N 0.73 0.93 -0.07 0.00 4.20 -0.66 -1.20 115.11 119.03 2rkb h GLN 128 Ca 0.17 -0.28 0.01 0.00 0.06 0.00 0.00 58.65 58.62 2rkb h GLN 128 Cb 0.25 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2rkb h GLN 128 CO -0.01 0.93 -0.02 0.93 -0.67 0.00 0.00 178.83 179.99 2rkb h GLU 129 N 0.85 0.00 -0.55 1.46 4.39 -0.63 -1.75 114.58 118.36 2rkb h GLU 129 Ca 0.16 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2rkb h GLU 129 Cb 0.52 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 2rkb h GLU 129 CO 0.03 0.00 0.34 -0.07 -1.16 0.00 0.00 179.01 178.15 2rkb h LEU 130 N 0.00 0.64 -1.77 1.33 3.38 -1.12 0.10 115.31 117.87 2rkb h LEU 130 Ca 0.04 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2rkb h LEU 130 Cb 0.05 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2rkb h LEU 130 CO -0.08 0.49 0.00 0.00 0.09 0.00 0.00 178.44 178.94 2rkb h ALA 131 N 1.63 1.00 0.00 1.53 0.00 -0.36 -1.36 119.26 121.70 2rkb h ALA 131 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2rkb h ALA 131 Cb -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2rkb h ALA 131 CO -0.04 0.00 -0.38 0.87 0.00 0.00 0.00 179.25 179.71 2rkb h LYS 132 N 0.00 0.00 -6.91 0.00 1.57 -0.35 -3.41 116.57 107.46 2rkb h LYS 132 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 2rkb h LYS 132 Cb 0.25 0.00 0.20 0.00 0.08 0.00 0.00 32.23 32.75 2rkb h LYS 132 CO 0.00 0.38 -0.18 0.54 -0.57 0.00 0.00 179.45 179.62 2rkb n ARG 133 N -3.97 0.02 0.00 3.15 1.74 -0.51 -4.95 116.66 112.14 2rkb n ARG 133 Ca -0.02 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2rkb n ARG 133 Cb 0.42 -2.07 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 2rkb n ARG 133 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2rkb n ASP 134 N -1.84 0.00 -0.24 0.55 2.03 -1.26 -2.98 116.55 112.80 2rkb n ASP 134 Ca 0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.41 2rkb n ASP 134 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 2rkb n ASP 134 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rkb n GLY 135 N 0.00 0.04 3.83 0.27 0.00 -1.26 -4.76 105.19 103.31 2rkb n GLY 135 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2rkb n GLY 135 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2rkb s TRP 136 N -1.51 3.70 -0.03 1.61 0.52 -1.16 -0.54 118.94 121.53 2rkb s TRP 136 Ca 0.00 0.96 0.02 0.00 0.02 0.00 0.00 56.10 57.10 2rkb s TRP 136 Cb 0.00 -2.30 0.01 0.00 -1.15 0.00 0.00 33.47 30.03 2rkb s TRP 136 CO 0.00 0.60 -0.07 -1.21 0.02 0.00 0.00 176.95 176.29 2rkb s GLU 137 N -0.92 0.89 -0.15 4.98 0.41 -0.61 -4.73 118.70 118.57 2rkb s GLU 137 Ca 0.23 -0.23 -0.21 0.00 -0.41 0.00 0.00 54.97 54.35 2rkb s GLU 137 Cb -0.16 -0.84 -0.03 0.00 -1.78 0.00 0.00 34.13 31.31 2rkb s GLU 137 CO 0.13 0.05 0.62 1.21 -0.49 0.00 0.00 175.26 176.78 2rkb s ASN 138 N 0.40 6.76 -0.40 -0.19 3.04 -1.26 -1.23 114.94 122.05 2rkb s ASN 138 Ca -0.06 0.92 -0.23 0.00 0.04 0.00 0.00 52.86 53.52 2rkb s ASN 138 Cb -0.10 -2.35 0.02 0.00 -1.54 0.00 0.00 41.25 37.27 2rkb s ASN 138 CO 0.00 -0.19 0.80 -0.69 -3.04 0.00 0.00 177.10 173.98 2rkb s VAL 139 N 1.45 4.68 0.20 -5.21 1.01 0.13 -4.95 120.40 117.72 2rkb s VAL 139 Ca 0.30 0.72 -0.29 0.00 0.00 0.00 0.00 61.98 62.71 2rkb s VAL 139 Cb -0.16 -4.27 -0.08 0.00 0.00 0.00 0.00 36.38 31.87 2rkb s VAL 139 CO 0.12 -0.57 0.93 -2.16 0.00 0.00 0.00 175.10 173.41 2rkb s PRO 140 N 3.24 4.80 0.39 2.72 0.04 -1.26 -4.55 135.00 140.37 2rkb s PRO 140 Ca 0.31 1.44 0.17 0.00 0.04 0.00 0.00 61.00 62.97 2rkb s PRO 140 Cb -0.12 -3.30 0.80 0.00 0.04 0.00 0.00 34.50 31.91 2rkb s PRO 140 CO 0.20 0.46 1.81 -1.00 0.04 0.00 0.00 177.00 178.51 2rkb h PRO 141 N 4.47 0.00 0.00 0.56 0.13 -1.96 -3.44 132.00 131.77 2rkb h PRO 141 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2rkb h PRO 141 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2rkb h PRO 141 CO 0.69 0.35 0.00 1.97 -0.23 0.00 0.00 178.00 180.78 2rkb n PHE 142 N -3.79 0.00 -2.80 1.56 1.16 -1.26 -4.91 117.46 107.41 2rkb n PHE 142 Ca -0.01 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.13 2rkb n PHE 142 Cb 0.43 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.29 2rkb n PHE 142 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2rkb s ASP 143 N -1.18 6.84 -0.29 5.98 -1.08 -1.26 -4.16 116.67 121.52 2rkb s ASP 143 Ca 0.00 -2.45 -0.19 0.00 -0.52 0.00 0.00 52.55 49.40 2rkb s ASP 143 Cb 0.00 -2.47 0.18 0.00 -1.46 0.00 0.00 42.92 39.17 2rkb s ASP 143 CO 0.00 -1.02 1.19 -2.28 0.52 0.00 0.00 175.17 173.58 2rkb s HIS 144 N 2.92 -0.26 0.29 -5.34 2.46 -1.26 -4.97 115.29 109.13 2rkb s HIS 144 Ca 0.44 0.55 0.03 0.00 0.47 0.00 0.00 55.06 56.54 2rkb s HIS 144 Cb -0.01 0.26 0.71 0.00 -0.13 0.00 0.00 32.58 33.40 2rkb s HIS 144 CO -0.01 -0.13 1.67 -1.35 -2.47 0.00 0.00 174.74 172.45 2rkb h PRO 145 N 4.88 0.29 -0.45 2.88 0.11 -2.00 0.69 132.00 138.40 2rkb h PRO 145 Ca -0.27 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 2rkb h PRO 145 Cb 1.18 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2rkb h PRO 145 CO 0.20 0.19 0.07 -0.07 -0.21 0.00 0.00 178.00 178.17 2rkb h LEU 146 N 0.29 0.65 -0.03 2.35 3.38 -1.96 -0.12 115.31 119.87 2rkb h LEU 146 Ca 0.55 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.40 2rkb h LEU 146 Cb 1.08 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2rkb h LEU 146 CO -0.59 0.67 0.01 0.40 0.09 0.00 0.00 178.44 179.03 2rkb h ILE 147 N 0.66 1.15 -0.86 1.22 1.08 -1.06 -1.19 117.51 118.52 2rkb h ILE 147 Ca 0.14 -0.46 -0.01 0.00 -0.39 0.00 0.00 64.86 64.15 2rkb h ILE 147 Cb 0.31 1.41 -0.04 0.00 -3.07 0.00 0.00 36.82 35.43 2rkb h ILE 147 CO 0.00 0.12 0.50 -0.50 -0.69 0.00 0.00 178.15 177.59 2rkb h TRP 148 N -0.13 1.15 -0.55 1.37 6.55 -1.10 0.77 115.95 124.00 2rkb h TRP 148 Ca 0.01 -0.01 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 2rkb h TRP 148 Cb 0.19 -0.37 -0.03 0.00 -0.86 0.00 0.00 29.16 28.09 2rkb h TRP 148 CO -0.01 0.77 0.31 -0.22 -1.05 0.00 0.00 178.44 178.24 2rkb h LYS 149 N 1.19 0.75 0.27 0.49 3.11 -0.82 0.16 116.57 121.73 2rkb h LYS 149 Ca 0.31 -0.08 -0.01 0.00 -2.81 0.00 0.00 60.65 58.05 2rkb h LYS 149 Cb -0.02 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.06 2rkb h LYS 149 CO -0.05 0.57 -0.13 0.78 -2.81 0.00 0.00 179.45 177.80 2rkb h GLY 150 N 0.73 -0.38 0.57 5.01 0.00 -0.38 -2.78 103.07 105.84 2rkb h GLY 150 Ca 0.19 0.14 0.11 0.00 0.00 0.00 0.00 47.33 47.77 2rkb h GLY 150 CO -0.03 -0.14 0.62 0.45 0.00 0.00 0.00 176.54 177.43 2rkb h HIS 151 N -0.45 1.07 -1.41 5.60 3.86 -0.58 -1.28 115.15 121.95 2rkb h HIS 151 Ca -0.04 0.03 0.42 0.00 -1.16 0.00 0.00 60.37 59.62 2rkb h HIS 151 Cb 0.34 -0.34 -0.08 0.00 1.06 0.00 0.00 27.41 28.39 2rkb h HIS 151 CO -0.03 0.46 0.98 0.00 0.86 0.00 0.00 177.93 180.19 2rkb h ALA 152 N 1.54 3.12 -0.92 2.45 0.00 -0.38 0.31 119.26 125.39 2rkb h ALA 152 Ca 0.46 0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.63 2rkb h ALA 152 Cb 0.45 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2rkb h ALA 152 CO -0.22 -1.60 0.65 0.66 0.00 0.00 0.00 179.25 178.73 2rkb h SER 153 N 0.07 0.10 -0.76 0.00 4.64 -1.30 0.23 113.55 116.53 2rkb h SER 153 Ca 0.73 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 62.06 2rkb h SER 153 Cb 2.65 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.69 2rkb h SER 153 CO -0.14 0.03 0.48 0.25 -0.87 0.00 0.00 176.83 176.58 2rkb h LEU 154 N 0.09 0.89 -0.75 5.97 6.46 -0.58 -1.91 115.31 125.49 2rkb h LEU 154 Ca 0.45 -0.04 -0.10 0.00 -0.12 0.00 0.00 57.88 58.06 2rkb h LEU 154 Cb 1.63 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 41.32 2rkb h LEU 154 CO -0.05 0.67 -0.16 0.58 -0.62 0.00 0.00 178.44 178.85 2rkb h VAL 155 N 1.03 1.26 -0.38 1.05 2.07 -1.13 -2.18 116.25 117.98 2rkb h VAL 155 Ca 0.28 -1.25 0.05 0.00 0.82 0.00 0.00 66.70 66.60 2rkb h VAL 155 Cb -0.08 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 2rkb h VAL 155 CO -0.06 0.42 0.10 1.56 0.02 0.00 0.00 177.57 179.61 2rkb h GLN 156 N 0.69 0.23 -0.38 1.57 1.08 -1.20 0.26 115.11 117.35 2rkb h GLN 156 Ca 0.11 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.26 2rkb h GLN 156 Cb 0.66 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.02 2rkb h GLN 156 CO 0.05 0.15 0.09 0.93 -0.95 0.00 0.00 178.83 179.09 2rkb h GLU 157 N 0.23 0.57 -0.05 1.46 5.08 -1.09 0.06 114.58 120.84 2rkb h GLU 157 Ca 0.18 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2rkb h GLU 157 Cb 0.19 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 2rkb h GLU 157 CO -0.21 0.53 0.02 -0.07 -1.00 0.00 0.00 179.01 178.27 2rkb h LEU 158 N 0.56 0.07 -1.77 1.33 4.07 -0.62 -1.59 115.31 117.36 2rkb h LEU 158 Ca 0.13 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.90 2rkb h LEU 158 Cb 0.23 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 2rkb h LEU 158 CO -0.00 0.24 0.16 0.50 -1.08 0.00 0.00 178.44 178.26 2rkb h LYS 159 N -0.10 0.31 -0.09 1.13 3.11 -0.42 0.36 116.57 120.86 2rkb h LYS 159 Ca 0.02 -0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 57.80 2rkb h LYS 159 Cb 0.20 -0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 31.35 2rkb h LYS 159 CO -0.00 0.20 -0.08 0.00 -2.81 0.00 0.00 179.45 176.76 2rkb h ALA 160 N 1.85 0.13 0.15 5.00 0.00 -0.58 -3.31 119.26 122.51 2rkb h ALA 160 Ca 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2rkb h ALA 160 Cb -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2rkb h ALA 160 CO -0.02 -0.05 -0.07 0.28 0.00 0.00 0.00 179.25 179.39 2rkb h VAL 161 N -0.19 0.00 -1.52 0.00 2.07 -0.77 -3.38 116.25 112.47 2rkb h VAL 161 Ca 0.02 -0.62 -0.62 0.00 0.82 0.00 0.00 66.70 66.30 2rkb h VAL 161 Cb 0.58 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.23 2rkb h VAL 161 CO 0.02 0.00 1.30 -0.76 0.02 0.00 0.00 177.57 178.15 2rkb s LEU 162 N -7.68 3.87 0.42 2.57 1.43 0.12 -4.83 118.68 114.58 2rkb s LEU 162 Ca -0.03 -1.52 0.25 0.00 -1.03 0.00 0.00 54.13 51.80 2rkb s LEU 162 Cb 0.00 -2.53 1.30 0.00 0.03 0.00 0.00 46.19 44.99 2rkb s LEU 162 CO 0.09 -1.42 1.67 0.08 0.23 0.00 0.00 176.35 177.00 2rkb h ARG 163 N 9.58 0.19 -6.22 1.70 -0.00 -1.75 -3.39 114.38 114.49 2rkb h ARG 163 Ca 0.15 -0.01 -0.65 0.00 -0.00 0.00 0.00 59.98 59.47 2rkb h ARG 163 Cb 1.02 -0.04 -0.10 0.00 -0.00 0.00 0.00 29.97 30.84 2rkb h ARG 163 CO 1.34 0.13 -0.62 0.95 -0.00 0.00 0.00 179.97 181.76 2rkb s THR 164 N -5.39 4.36 0.46 0.08 -4.23 -1.26 -4.94 115.64 104.70 2rkb s THR 164 Ca -0.08 -0.80 -0.23 0.00 -1.18 0.00 0.00 61.69 59.40 2rkb s THR 164 Cb 0.28 -3.07 -0.09 0.00 1.34 0.00 0.00 72.50 70.96 2rkb s THR 164 CO 0.81 0.16 1.03 -2.65 -0.54 0.00 0.00 174.62 173.43 2rkb n PRO 165 N 0.61 1.33 -2.24 3.99 -0.02 -1.26 -5.00 135.00 132.41 2rkb n PRO 165 Ca -0.10 0.48 -0.28 0.00 -2.02 0.00 0.00 63.50 61.59 2rkb n PRO 165 Cb 0.52 -2.10 0.03 0.00 -0.02 0.00 0.00 33.50 31.93 2rkb n PRO 165 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2rkb s PRO 166 N -2.17 2.96 0.30 0.52 0.04 -1.26 -4.91 135.00 130.48 2rkb s PRO 166 Ca 0.65 0.17 0.06 0.00 0.04 0.00 0.00 61.00 61.92 2rkb s PRO 166 Cb -0.52 -2.20 0.47 0.00 0.04 0.00 0.00 34.50 32.29 2rkb s PRO 166 CO 0.55 -0.76 1.72 0.78 0.04 0.00 0.00 177.00 179.33 2rkb h GLY 167 N -0.30 0.31 -2.84 0.56 0.00 -0.05 -3.46 103.07 97.29 2rkb h GLY 167 Ca -0.45 -0.27 0.04 0.00 0.00 0.00 0.00 47.33 46.64 2rkb h GLY 167 CO 0.62 0.25 0.29 0.00 0.00 0.00 0.00 176.54 177.69 2rkb s ALA 168 N -4.25 -1.58 -0.05 3.60 0.00 -1.18 -4.29 121.76 114.01 2rkb s ALA 168 Ca -0.05 0.42 0.03 0.00 0.00 0.00 0.00 51.96 52.35 2rkb s ALA 168 Cb 0.14 0.77 0.01 0.00 0.00 0.00 0.00 23.12 24.04 2rkb s ALA 168 CO 0.77 -0.82 -0.12 -1.17 0.00 0.00 0.00 175.76 174.42 2rkb s LEU 169 N -2.74 1.71 -0.15 0.00 2.96 -0.44 -0.87 118.68 119.14 2rkb s LEU 169 Ca 0.04 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 2rkb s LEU 169 Cb -0.02 -0.79 0.00 0.00 0.50 0.00 0.00 46.19 45.88 2rkb s LEU 169 CO -0.07 0.06 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.14 2rkb s VAL 170 N 0.47 2.40 0.09 1.68 1.01 0.15 -0.30 120.40 125.89 2rkb s VAL 170 Ca -0.10 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 2rkb s VAL 170 Cb -0.14 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 2rkb s VAL 170 CO 0.03 0.53 0.10 -1.48 0.00 0.00 0.00 175.10 174.28 2rkb s LEU 171 N 0.81 1.79 0.48 3.92 -0.00 -0.96 -0.59 118.68 124.13 2rkb s LEU 171 Ca -0.06 -0.88 0.00 0.00 -0.00 0.00 0.00 54.13 53.19 2rkb s LEU 171 Cb -0.15 0.65 0.00 0.00 -0.00 0.00 0.00 46.19 46.69 2rkb s LEU 171 CO -0.01 -0.70 0.70 0.00 -0.00 0.00 0.00 176.35 176.34 2rkb s ALA 172 N -3.92 3.78 -0.11 1.48 0.00 -1.26 -0.40 121.76 121.32 2rkb s ALA 172 Ca 0.10 -1.11 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 2rkb s ALA 172 Cb 0.06 -2.13 0.03 0.00 0.00 0.00 0.00 23.12 21.08 2rkb s ALA 172 CO -0.07 -0.47 -0.04 0.08 0.00 0.00 0.00 175.76 175.26 2rkb s VAL 173 N -2.61 0.79 0.00 0.00 1.01 -0.07 -4.72 120.40 114.80 2rkb s VAL 173 Ca 0.50 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.29 2rkb s VAL 173 Cb -0.10 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.39 2rkb s VAL 173 CO 0.38 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.37 2rkb n GLY 174 N 5.01 -0.18 0.24 4.51 0.00 -1.26 -4.78 105.19 108.73 2rkb n GLY 174 Ca -0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.98 2rkb n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rkb n GLY 175 N 2.55 -0.11 0.00 -0.02 0.00 -1.26 -4.12 105.19 102.22 2rkb n GLY 175 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2rkb n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rkb n GLY 176 N 1.08 0.74 0.30 -0.02 0.00 -1.26 0.79 105.19 106.81 2rkb n GLY 176 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 2rkb n GLY 176 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2rkb h GLY 177 N 0.00 -0.65 1.11 -0.02 0.00 -1.91 -0.51 103.07 101.09 2rkb h GLY 177 Ca 0.00 0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.64 2rkb h GLY 177 CO 0.00 -0.25 0.60 -2.00 0.00 0.00 0.00 176.54 174.89 2rkb h LEU 178 N -0.61 1.04 0.95 3.11 5.85 -1.90 -0.85 115.31 122.91 2rkb h LEU 178 Ca -0.03 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 2rkb h LEU 178 Cb 0.53 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.31 2rkb h LEU 178 CO -0.01 0.75 -0.46 0.25 -0.34 0.00 0.00 178.44 178.64 2rkb h LEU 179 N 1.23 -1.08 -1.46 2.25 6.46 -1.77 -0.33 115.31 120.61 2rkb h LEU 179 Ca 0.33 0.04 0.20 0.00 -0.12 0.00 0.00 57.88 58.33 2rkb h LEU 179 Cb -0.14 0.28 -0.07 0.00 -0.73 0.00 0.00 40.66 40.00 2rkb h LEU 179 CO -0.07 -0.76 0.60 0.00 -0.62 0.00 0.00 178.44 177.59 2rkb h ALA 180 N -1.38 2.15 -0.05 1.25 0.00 -0.98 0.40 119.26 120.65 2rkb h ALA 180 Ca -0.13 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2rkb h ALA 180 Cb 0.98 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2rkb h ALA 180 CO 0.21 -0.45 -0.00 0.78 0.00 0.00 0.00 179.25 179.79 2rkb h GLY 181 N 0.45 0.10 1.44 0.00 0.00 -0.76 0.06 103.07 104.36 2rkb h GLY 181 Ca 0.48 -0.07 -0.13 0.00 0.00 0.00 0.00 47.33 47.61 2rkb h GLY 181 CO -0.20 0.07 -0.36 -0.39 0.00 0.00 0.00 176.54 175.66 2rkb h VAL 182 N -0.23 1.29 -0.59 4.60 -1.51 -0.12 0.26 116.25 119.96 2rkb h VAL 182 Ca 0.01 -1.50 -0.00 0.00 -1.23 0.00 0.00 66.70 63.97 2rkb h VAL 182 Cb 0.36 1.46 -0.03 0.00 -2.13 0.00 0.00 31.29 30.95 2rkb h VAL 182 CO 0.00 0.48 0.35 0.58 -1.23 0.00 0.00 177.57 177.75 2rkb h VAL 183 N 0.52 1.18 0.26 7.19 2.07 -0.93 1.10 116.25 127.65 2rkb h VAL 183 Ca 0.05 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2rkb h VAL 183 Cb 0.86 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2rkb h VAL 183 CO 0.07 0.18 -0.18 0.00 0.02 0.00 0.00 177.57 177.66 2rkb h ALA 184 N 1.17 -0.43 -0.42 1.67 0.00 -0.47 -0.87 119.26 119.91 2rkb h ALA 184 Ca 0.21 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.10 2rkb h ALA 184 Cb -0.01 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2rkb h ALA 184 CO -0.04 -0.76 0.12 0.78 0.00 0.00 0.00 179.25 179.36 2rkb h GLY 185 N -0.44 0.53 0.55 0.00 0.00 0.34 -0.20 103.07 103.84 2rkb h GLY 185 Ca -0.02 -0.06 0.06 0.00 0.00 0.00 0.00 47.33 47.31 2rkb h GLY 185 CO 0.01 -0.00 0.16 1.41 0.00 0.00 0.00 176.54 178.12 2rkb h LEU 186 N 0.28 0.16 -0.66 3.11 3.38 0.15 0.12 115.31 121.85 2rkb h LEU 186 Ca 0.20 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.26 2rkb h LEU 186 Cb 0.21 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2rkb h LEU 186 CO -0.23 0.12 0.40 -0.07 0.09 0.00 0.00 178.44 178.75 2rkb h LEU 187 N 0.33 0.63 -0.38 1.67 3.38 -0.41 0.31 115.31 120.84 2rkb h LEU 187 Ca 0.23 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.22 2rkb h LEU 187 Cb 0.24 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2rkb h LEU 187 CO -0.24 0.43 0.23 -0.33 0.09 0.00 0.00 178.44 178.62 2rkb h GLU 188 N 0.76 0.45 -0.18 1.13 5.08 0.36 -2.81 114.58 119.37 2rkb h GLU 188 Ca 0.27 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2rkb h GLU 188 Cb 0.06 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2rkb h GLU 188 CO -0.12 0.30 0.00 1.33 -1.00 0.00 0.00 179.01 179.51 2rkb n VAL 189 N -4.86 0.23 -2.22 3.13 0.24 -0.11 -4.94 118.33 109.81 2rkb n VAL 189 Ca 0.01 -0.37 -0.06 0.00 -2.04 0.00 0.00 64.34 61.87 2rkb n VAL 189 Cb 0.05 0.41 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 2rkb n VAL 189 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2rkb n GLY 190 N 1.15 0.20 1.27 7.63 0.00 -0.09 -4.94 105.19 110.41 2rkb n GLY 190 Ca 0.16 -0.61 -0.06 0.00 0.00 0.00 0.00 46.02 45.51 2rkb n GLY 190 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2rkb n TRP 191 N -3.88 1.30 0.23 1.61 7.02 0.89 -4.75 117.44 119.85 2rkb n TRP 191 Ca -0.06 -1.60 0.08 0.00 -1.02 0.00 0.00 57.50 54.90 2rkb n TRP 191 Cb 0.55 -0.54 0.42 0.00 -2.42 0.00 0.00 31.31 29.32 2rkb n TRP 191 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 2rkb h GLN 192 N 1.04 0.00 -0.02 -0.99 7.50 -1.89 -1.07 115.11 119.68 2rkb h GLN 192 Ca 0.26 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.41 2rkb h GLN 192 Cb 1.78 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.31 2rkb h GLN 192 CO 0.46 0.00 -0.30 0.72 -1.50 0.00 0.00 178.83 178.21 2rkb n HIS 193 N -2.30 0.00 -2.21 2.96 8.25 -1.26 -4.60 115.22 116.06 2rkb n HIS 193 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.02 2rkb n HIS 193 Cb 0.44 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.51 2rkb n HIS 193 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2rkb s VAL 194 N -2.35 3.91 0.51 1.59 1.01 -0.41 -4.90 120.40 119.76 2rkb s VAL 194 Ca 0.23 1.12 -0.21 0.00 0.00 0.00 0.00 61.98 63.12 2rkb s VAL 194 Cb 0.19 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 2rkb s VAL 194 CO 0.49 -0.09 1.17 -2.16 0.00 0.00 0.00 175.10 174.51 2rkb s PRO 195 N 3.66 3.47 -0.12 2.72 0.04 -1.26 -4.64 135.00 138.87 2rkb s PRO 195 Ca 0.64 1.76 0.02 0.00 0.04 0.00 0.00 61.00 63.46 2rkb s PRO 195 Cb -0.28 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 2rkb s PRO 195 CO 0.23 -0.79 -0.18 0.42 0.04 0.00 0.00 177.00 176.72 2rkb s ILE 196 N -1.61 2.56 -0.48 0.56 1.01 0.52 -1.33 121.20 122.44 2rkb s ILE 196 Ca 0.69 -0.84 -0.15 0.00 0.00 0.00 0.00 60.65 60.35 2rkb s ILE 196 Cb -0.28 -2.04 0.08 0.00 0.01 0.00 0.00 42.46 40.23 2rkb s ILE 196 CO 0.33 0.54 0.40 -0.63 0.00 0.00 0.00 174.94 175.58 2rkb s ILE 197 N 0.39 5.17 -0.49 2.92 1.09 0.58 0.63 121.20 131.49 2rkb s ILE 197 Ca -0.14 -1.13 -0.23 0.00 -1.10 0.00 0.00 60.65 58.04 2rkb s ILE 197 Cb -0.17 -4.12 0.03 0.00 -1.06 0.00 0.00 42.46 37.15 2rkb s ILE 197 CO 0.07 -0.61 0.84 0.00 -0.10 0.00 0.00 174.94 175.14 2rkb s ALA 198 N 1.62 3.25 0.11 9.38 0.00 0.99 -2.26 121.76 134.84 2rkb s ALA 198 Ca 0.04 -1.14 -0.16 0.00 0.00 0.00 0.00 51.96 50.70 2rkb s ALA 198 Cb -0.25 -3.57 -0.07 0.00 0.00 0.00 0.00 23.12 19.23 2rkb s ALA 198 CO 0.06 -2.11 0.55 -1.64 0.00 0.00 0.00 175.76 172.62 2rkb s MET 199 N 3.51 4.07 0.06 0.00 -1.94 0.46 -0.88 119.30 124.57 2rkb s MET 199 Ca 0.29 0.59 -0.12 0.00 -1.71 0.00 0.00 55.69 54.74 2rkb s MET 199 Cb -0.13 -3.07 0.01 0.00 2.01 0.00 0.00 34.83 33.65 2rkb s MET 199 CO 0.21 0.56 0.26 -1.21 -0.01 0.00 0.00 175.02 174.83 2rkb s GLU 200 N -1.55 0.81 -0.05 2.03 2.02 0.15 -0.89 118.70 121.22 2rkb s GLU 200 Ca 0.33 -0.63 -0.02 0.00 0.02 0.00 0.00 54.97 54.67 2rkb s GLU 200 Cb -0.17 0.34 -0.04 0.00 0.10 0.00 0.00 34.13 34.37 2rkb s GLU 200 CO 0.19 -0.26 0.06 0.95 0.02 0.00 0.00 175.26 176.21 2rkb s THR 201 N -2.90 4.66 0.06 3.63 -4.23 -1.26 -0.09 115.64 115.51 2rkb s THR 201 Ca -0.03 -0.27 -0.30 0.00 -1.18 0.00 0.00 61.69 59.91 2rkb s THR 201 Cb 0.00 -3.05 -0.09 0.00 1.34 0.00 0.00 72.50 70.70 2rkb s THR 201 CO -0.06 0.49 1.88 -2.28 -0.54 0.00 0.00 174.62 174.11 2rkb s HIS 202 N -1.05 1.66 0.00 3.99 2.46 0.52 -0.66 115.29 122.21 2rkb s HIS 202 Ca 0.18 -0.24 0.00 0.00 0.47 0.00 0.00 55.06 55.47 2rkb s HIS 202 Cb -0.12 -4.18 0.00 0.00 -0.13 0.00 0.00 32.58 28.15 2rkb s HIS 202 CO 0.08 -5.13 0.00 0.41 -2.47 0.00 0.00 174.74 167.63 2rkb n GLY 203 N 4.39 1.45 2.73 1.59 0.00 -1.26 -4.22 105.19 109.86 2rkb n GLY 203 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 2rkb n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rkb n ALA 204 N -0.59 2.60 -1.82 4.61 0.00 0.16 -1.51 120.51 123.96 2rkb n ALA 204 Ca 0.00 -2.10 -0.33 0.00 0.00 0.00 0.00 53.44 51.01 2rkb n ALA 204 Cb 0.00 -0.90 0.04 0.00 0.00 0.00 0.00 19.45 18.59 2rkb n ALA 204 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2rkb n HIS 205 N -0.72 3.10 -0.34 0.00 -0.00 -1.06 -4.18 115.22 112.01 2rkb n HIS 205 Ca -0.01 -2.68 0.03 0.00 -0.00 0.00 0.00 57.72 55.06 2rkb n HIS 205 Cb 0.84 -0.95 0.18 0.00 -0.00 0.00 0.00 29.99 30.06 2rkb n HIS 205 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2rkb h PHE 207 N 1.02 -0.55 -0.26 0.00 3.57 -1.87 -0.71 116.94 118.15 2rkb h PHE 207 Ca 0.43 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.95 2rkb h PHE 207 Cb 0.28 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 2rkb h PHE 207 CO -0.02 -0.34 0.07 -0.97 -2.23 0.00 0.00 178.31 174.81 2rkb h ASN 208 N -0.59 0.04 -0.70 0.41 -1.24 -1.89 0.36 115.58 111.98 2rkb h ASN 208 Ca -0.06 0.04 0.13 0.00 0.71 0.00 0.00 56.30 57.12 2rkb h ASN 208 Cb 0.46 0.04 -0.09 0.00 0.73 0.00 0.00 38.32 39.45 2rkb h ASN 208 CO 0.10 0.06 0.23 0.00 -1.29 0.00 0.00 177.43 176.52 2rkb h ALA 209 N 1.18 0.92 -0.11 1.57 0.00 -0.90 0.20 119.26 122.12 2rkb h ALA 209 Ca 0.12 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2rkb h ALA 209 Cb 0.11 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2rkb h ALA 209 CO -0.14 -0.26 0.03 0.00 0.00 0.00 0.00 179.25 178.88 2rkb h ALA 210 N 1.53 0.15 -0.23 0.00 0.00 -0.37 0.60 119.26 120.94 2rkb h ALA 210 Ca 0.38 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.21 2rkb h ALA 210 Cb 0.58 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 2rkb h ALA 210 CO -0.41 -0.22 -0.19 0.82 0.00 0.00 0.00 179.25 179.25 2rkb h ILE 211 N -0.02 0.49 -0.12 0.00 1.08 0.29 0.36 117.51 119.59 2rkb h ILE 211 Ca 0.04 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.54 2rkb h ILE 211 Cb 0.25 0.49 -0.03 0.00 -3.07 0.00 0.00 36.82 34.46 2rkb h ILE 211 CO 0.00 0.00 -0.07 0.74 -0.69 0.00 0.00 178.15 178.13 2rkb h THR 212 N -0.19 0.77 0.00 -0.27 2.02 -0.50 -1.67 112.91 113.07 2rkb h THR 212 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.31 2rkb h THR 212 Cb 0.39 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 2rkb h THR 212 CO -0.34 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.55 2rkb n ALA 213 N -2.38 1.84 -1.67 6.16 0.00 0.19 -4.88 120.51 119.77 2rkb n ALA 213 Ca -0.04 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 2rkb n ALA 213 Cb 0.14 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.21 2rkb n ALA 213 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rkb n GLY 214 N 0.40 0.88 3.58 0.00 0.00 0.12 -4.95 105.19 105.22 2rkb n GLY 214 Ca 0.04 -0.38 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 2rkb n GLY 214 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rkb s LYS 215 N -3.64 0.56 0.32 1.61 -2.85 -0.88 -5.03 119.74 109.85 2rkb s LYS 215 Ca 0.00 -0.23 -0.29 0.00 -1.00 0.00 0.00 55.97 54.45 2rkb s LYS 215 Cb 0.00 0.24 -0.12 0.00 -2.06 0.00 0.00 37.83 35.89 2rkb s LYS 215 CO 0.00 -0.25 1.36 1.28 0.10 0.00 0.00 175.35 177.84 2rkb n LEU 216 N -0.21 3.68 -4.20 2.77 4.77 -1.26 -4.33 117.00 118.22 2rkb n LEU 216 Ca -0.04 1.19 -0.15 0.00 -0.03 0.00 0.00 56.01 56.98 2rkb n LEU 216 Cb 0.60 -1.50 -0.11 0.00 -2.33 0.00 0.00 43.42 40.08 2rkb n LEU 216 CO 0.10 -0.36 -0.43 -0.69 -1.33 0.00 0.00 177.39 174.69 2rkb s VAL 217 N -0.84 1.06 -0.20 4.08 1.01 -1.26 -4.97 120.40 119.28 2rkb s VAL 217 Ca 0.58 -1.67 0.01 0.00 0.00 0.00 0.00 61.98 60.89 2rkb s VAL 217 Cb -0.57 -1.42 0.04 0.00 0.00 0.00 0.00 36.38 34.44 2rkb s VAL 217 CO 0.59 -0.52 -0.09 -0.89 0.00 0.00 0.00 175.10 174.20 2rkb s THR 218 N -2.37 1.51 0.23 3.92 2.01 -1.26 -4.29 115.64 115.40 2rkb s THR 218 Ca 0.07 -0.95 -0.30 0.00 0.31 0.00 0.00 61.69 60.81 2rkb s THR 218 Cb -0.03 -1.63 -0.10 0.00 0.01 0.00 0.00 72.50 70.74 2rkb s THR 218 CO 0.01 0.13 1.43 -0.76 -0.69 0.00 0.00 174.62 174.73 2rkb s LEU 219 N 1.45 4.39 0.27 4.42 1.02 0.39 -4.89 118.68 125.72 2rkb s LEU 219 Ca -0.01 2.60 -0.01 0.00 0.02 0.00 0.00 54.13 56.73 2rkb s LEU 219 Cb -0.16 -3.62 0.47 0.00 0.02 0.00 0.00 46.19 42.90 2rkb s LEU 219 CO -0.08 -0.68 1.84 1.55 0.02 0.00 0.00 176.35 179.00 2rkb h PRO 220 N 5.31 0.95 -2.01 1.29 0.13 -1.99 -3.45 132.00 132.23 2rkb h PRO 220 Ca -0.45 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 2rkb h PRO 220 Cb 1.22 -0.21 -0.19 0.00 0.13 0.00 0.00 31.00 31.94 2rkb h PRO 220 CO 0.79 0.63 0.29 0.16 -0.23 0.00 0.00 178.00 179.64 2rkb s ASP 221 N -5.71 -0.57 -0.29 1.44 1.47 -1.26 -5.13 116.67 106.61 2rkb s ASP 221 Ca -0.12 0.54 -0.22 0.00 1.18 0.00 0.00 52.55 53.93 2rkb s ASP 221 Cb 0.21 0.48 -0.01 0.00 -0.34 0.00 0.00 42.92 43.27 2rkb s ASP 221 CO 0.80 -0.58 0.72 -0.63 0.68 0.00 0.00 175.17 176.16 2rkb s ILE 222 N -1.51 4.87 -0.36 2.11 -1.09 -1.26 -4.90 121.20 119.07 2rkb s ILE 222 Ca -0.07 1.10 0.17 0.00 -2.23 0.00 0.00 60.65 59.62 2rkb s ILE 222 Cb -0.00 -4.07 -0.23 0.00 -1.58 0.00 0.00 42.46 36.58 2rkb s ILE 222 CO 0.05 -0.16 0.52 0.35 -1.23 0.00 0.00 174.94 174.47 2rkb n THR 223 N 5.42 0.00 -2.05 2.92 -2.24 -0.57 -5.00 114.28 112.76 2rkb n THR 223 Ca 0.02 -0.27 -0.36 0.00 -2.27 0.00 0.00 64.05 61.17 2rkb n THR 223 Cb 0.48 0.49 0.03 0.00 -2.10 0.00 0.00 70.33 69.23 2rkb n THR 223 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2rkb s SER 224 N -3.39 5.28 0.44 3.42 0.15 -1.09 -4.92 113.70 113.59 2rkb s SER 224 Ca -0.01 2.34 0.25 0.00 0.70 0.00 0.00 55.95 59.22 2rkb s SER 224 Cb 0.12 -2.59 0.74 0.00 -1.71 0.00 0.00 66.02 62.57 2rkb s SER 224 CO 0.71 -1.53 1.75 0.58 1.20 0.00 0.00 173.24 175.94 2rkb h VAL 225 N 0.91 0.33 -0.01 4.45 2.07 -1.93 -3.37 116.25 118.70 2rkb h VAL 225 Ca -0.50 -1.13 -0.71 0.00 0.82 0.00 0.00 66.70 65.18 2rkb h VAL 225 Cb 1.29 1.87 -0.04 0.00 -1.52 0.00 0.00 31.29 32.90 2rkb h VAL 225 CO 0.55 0.16 3.08 0.00 0.02 0.00 0.00 177.57 181.38 2rkb n ALA 226 N -2.16 5.40 -0.33 1.67 0.00 -1.26 -4.81 120.51 119.03 2rkb n ALA 226 Ca 0.02 -3.85 0.24 0.00 0.00 0.00 0.00 53.44 49.84 2rkb n ALA 226 Cb 0.48 -3.55 0.47 0.00 0.00 0.00 0.00 19.45 16.85 2rkb n ALA 226 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2rkb h LYS 227 N 6.12 0.23 0.00 0.00 1.79 -1.99 0.49 116.57 123.22 2rkb h LYS 227 Ca 0.56 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.02 2rkb h LYS 227 Cb 0.64 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 2rkb h LYS 227 CO 1.89 0.15 0.00 0.43 -1.08 0.00 0.00 179.45 180.84 2rkb n SER 228 N -5.13 0.15 -0.70 0.86 7.64 -1.26 -0.33 113.62 114.85 2rkb n SER 228 Ca 0.31 0.57 0.07 0.00 1.01 0.00 0.00 58.87 60.83 2rkb n SER 228 Cb 1.00 -0.59 0.14 0.00 -1.01 0.00 0.00 64.21 63.75 2rkb n SER 228 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2rkb n LEU 229 N -1.70 2.79 -0.30 -3.43 4.77 0.16 -4.58 117.00 114.71 2rkb n LEU 229 Ca -0.00 -1.65 0.00 0.00 -0.03 0.00 0.00 56.01 54.33 2rkb n LEU 229 Cb 0.02 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2rkb n LEU 229 CO 0.03 0.65 0.12 0.61 -1.33 0.00 0.00 177.39 177.47 2rkb n GLY 230 N 0.76 0.16 3.67 -0.72 0.00 0.55 -4.59 105.19 105.02 2rkb n GLY 230 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2rkb n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rkb s ALA 231 N -1.41 3.63 0.32 4.61 0.00 -1.26 -4.84 121.76 122.81 2rkb s ALA 231 Ca 0.00 1.24 0.27 0.00 0.00 0.00 0.00 51.96 53.47 2rkb s ALA 231 Cb 0.00 -3.79 1.33 0.00 0.00 0.00 0.00 23.12 20.66 2rkb s ALA 231 CO 0.00 -1.43 2.01 0.87 0.00 0.00 0.00 175.76 177.21 2rkb h LYS 232 N 9.80 0.00 -3.70 0.00 1.57 -1.88 -3.40 116.57 118.96 2rkb h LYS 232 Ca -0.46 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 57.98 2rkb h LYS 232 Cb 1.22 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 33.18 2rkb h LYS 232 CO 0.94 0.14 -0.75 0.99 -0.57 0.00 0.00 179.45 180.21 2rkb s THR 233 N -4.00 0.16 0.53 -0.16 2.01 -1.26 -0.46 115.64 112.46 2rkb s THR 233 Ca -0.02 0.10 -0.19 0.00 0.31 0.00 0.00 61.69 61.90 2rkb s THR 233 Cb 0.12 -0.27 -0.07 0.00 0.01 0.00 0.00 72.50 72.29 2rkb s THR 233 CO 0.59 0.15 1.06 0.54 -0.69 0.00 0.00 174.62 176.27 2rkb s VAL 234 N 1.09 3.69 0.43 3.82 0.11 -1.26 -4.85 120.40 123.43 2rkb s VAL 234 Ca -0.09 0.98 -0.25 0.00 -2.93 0.00 0.00 61.98 59.69 2rkb s VAL 234 Cb -0.13 -3.40 -0.08 0.00 -1.53 0.00 0.00 36.38 31.23 2rkb s VAL 234 CO -0.02 -0.30 1.34 0.00 -3.33 0.00 0.00 175.10 172.79 2rkb s ALA 235 N -2.08 3.20 0.25 1.54 0.00 0.24 -4.91 121.76 119.99 2rkb s ALA 235 Ca 0.67 1.29 -0.04 0.00 0.00 0.00 0.00 51.96 53.88 2rkb s ALA 235 Cb -0.17 -3.52 0.40 0.00 0.00 0.00 0.00 23.12 19.82 2rkb s ALA 235 CO 0.26 -0.97 1.82 0.00 0.00 0.00 0.00 175.76 176.86 2rkb h ALA 236 N 2.43 1.19 -0.50 0.00 0.00 -1.93 -0.99 119.26 119.46 2rkb h ALA 236 Ca -0.50 0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.51 2rkb h ALA 236 Cb 1.26 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2rkb h ALA 236 CO 0.62 0.12 0.34 -0.09 0.00 0.00 0.00 179.25 180.24 2rkb h ARG 237 N 0.82 0.37 -0.16 0.00 9.65 -1.95 -1.30 114.38 121.82 2rkb h ARG 237 Ca 0.40 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.25 2rkb h ARG 237 Cb 0.34 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 2rkb h ARG 237 CO -0.24 0.25 0.08 0.00 2.80 0.00 0.00 179.97 182.86 2rkb h ALA 238 N 1.73 0.21 -0.41 2.80 0.00 -1.47 0.16 119.26 122.28 2rkb h ALA 238 Ca 0.22 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2rkb h ALA 238 Cb 0.39 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2rkb h ALA 238 CO -0.06 -0.25 0.03 1.25 0.00 0.00 0.00 179.25 180.23 2rkb h LEU 239 N 0.15 0.60 -0.93 0.00 5.85 -1.28 -2.31 115.31 117.40 2rkb h LEU 239 Ca 0.06 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 2rkb h LEU 239 Cb 0.09 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2rkb h LEU 239 CO -0.01 0.65 -0.30 -0.08 -0.34 0.00 0.00 178.44 178.37 2rkb h GLU 240 N 0.61 0.43 0.00 1.25 4.81 -0.66 -2.68 114.58 118.34 2rkb h GLU 240 Ca 0.13 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2rkb h GLU 240 Cb 0.34 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2rkb h GLU 240 CO 0.01 0.68 0.01 0.00 -0.73 0.00 0.00 179.01 178.98 2rkb h MET 242 N 0.00 0.00 0.00 0.00 2.86 -1.53 -0.68 114.93 115.58 2rkb h MET 242 Ca 0.00 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 2rkb h MET 242 Cb 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2rkb h MET 242 CO 0.00 0.00 -1.41 1.04 1.06 0.00 0.00 176.91 177.60 2rkb n GLN 243 N -3.16 0.63 -0.05 1.72 1.13 0.20 -4.37 117.38 113.48 2rkb n GLN 243 Ca -0.03 0.08 -0.04 0.00 -1.94 0.00 0.00 57.00 55.07 2rkb n GLN 243 Cb 0.09 -1.74 -0.14 0.00 0.11 0.00 0.00 30.24 28.55 2rkb n GLN 243 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 2rkb n VAL 244 N -2.66 1.12 -4.13 5.09 3.14 -0.49 -4.99 118.33 115.40 2rkb n VAL 244 Ca -0.06 -0.75 -0.12 0.00 -2.96 0.00 0.00 64.34 60.45 2rkb n VAL 244 Cb 0.68 -0.51 -0.11 0.00 -1.06 0.00 0.00 33.84 32.84 2rkb n VAL 244 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2rkb s LYS 246 N -2.90 3.77 -0.11 0.00 2.47 -1.26 -4.52 119.74 117.18 2rkb s LYS 246 Ca 0.03 0.68 0.03 0.00 -1.56 0.00 0.00 55.97 55.16 2rkb s LYS 246 Cb -0.01 -3.89 -0.00 0.00 -1.46 0.00 0.00 37.83 32.47 2rkb s LYS 246 CO -0.02 -1.32 -0.22 0.42 0.16 0.00 0.00 175.35 174.37 2rkb s ILE 247 N 4.42 2.22 -0.38 5.43 1.01 -1.26 -0.35 121.20 132.28 2rkb s ILE 247 Ca 0.49 -0.95 -0.11 0.00 0.00 0.00 0.00 60.65 60.07 2rkb s ILE 247 Cb -0.09 -1.87 0.03 0.00 0.01 0.00 0.00 42.46 40.55 2rkb s ILE 247 CO 0.29 0.55 0.22 -1.00 0.00 0.00 0.00 174.94 175.00 2rkb s HIS 248 N 0.44 3.25 -0.19 3.97 3.76 0.21 -4.95 115.29 121.77 2rkb s HIS 248 Ca -0.15 -1.00 -0.24 0.00 -0.15 0.00 0.00 55.06 53.51 2rkb s HIS 248 Cb -0.17 -2.50 -0.01 0.00 1.11 0.00 0.00 32.58 31.00 2rkb s HIS 248 CO 0.06 -0.67 0.79 0.45 -0.85 0.00 0.00 174.74 174.52 2rkb s SER 249 N 1.62 6.87 -0.02 1.40 0.15 -1.26 -0.01 113.70 122.44 2rkb s SER 249 Ca 0.02 1.07 0.04 0.00 0.70 0.00 0.00 55.95 57.78 2rkb s SER 249 Cb -0.20 -2.43 -0.01 0.00 -1.71 0.00 0.00 66.02 61.68 2rkb s SER 249 CO 0.06 -0.40 -0.14 -1.61 1.20 0.00 0.00 173.24 172.35 2rkb s GLU 250 N 2.29 1.32 -0.08 5.44 0.41 -0.06 -4.96 118.70 123.05 2rkb s GLU 250 Ca 0.35 -0.50 0.04 0.00 -0.41 0.00 0.00 54.97 54.45 2rkb s GLU 250 Cb -0.16 -1.22 -0.01 0.00 -1.78 0.00 0.00 34.13 30.96 2rkb s GLU 250 CO 0.11 0.25 -0.22 0.08 -0.49 0.00 0.00 175.26 174.99 2rkb s VAL 251 N -0.10 2.30 0.20 2.63 1.01 -1.26 -0.67 120.40 124.51 2rkb s VAL 251 Ca 0.01 -0.96 0.08 0.00 0.00 0.00 0.00 61.98 61.11 2rkb s VAL 251 Cb -0.08 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 2rkb s VAL 251 CO 0.00 0.56 -0.15 0.68 0.00 0.00 0.00 175.10 176.19 2rkb s VAL 252 N 0.06 1.80 0.66 2.92 -7.23 0.87 -4.85 120.40 114.64 2rkb s VAL 252 Ca -0.09 -2.17 -0.15 0.00 -1.81 0.00 0.00 61.98 57.76 2rkb s VAL 252 Cb -0.15 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.77 2rkb s VAL 252 CO 0.06 -0.53 1.11 -1.61 -0.31 0.00 0.00 175.10 173.82 2rkb s GLU 253 N -3.48 2.78 0.32 4.82 0.41 -1.26 -0.35 118.70 121.94 2rkb s GLU 253 Ca 0.22 1.39 0.03 0.00 -0.41 0.00 0.00 54.97 56.20 2rkb s GLU 253 Cb -0.02 -1.95 0.61 0.00 -1.78 0.00 0.00 34.13 30.99 2rkb s GLU 253 CO 0.07 -1.27 1.93 -0.44 -0.49 0.00 0.00 175.26 175.07 2rkb h ASP 254 N 0.01 0.82 -0.98 -0.19 3.32 -1.96 -1.13 116.42 116.30 2rkb h ASP 254 Ca -0.47 0.00 0.10 0.00 0.02 0.00 0.00 57.03 56.69 2rkb h ASP 254 Cb 1.25 -0.17 -0.08 0.00 0.22 0.00 0.00 39.33 40.55 2rkb h ASP 254 CO 0.54 0.53 0.62 0.71 -1.72 0.00 0.00 179.24 179.91 2rkb h THR 255 N 0.93 0.96 -0.21 0.35 1.35 -1.94 0.18 112.91 114.52 2rkb h THR 255 Ca 0.36 -0.35 -0.12 0.00 -0.55 0.00 0.00 66.41 65.75 2rkb h THR 255 Cb 0.22 -0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 66.48 2rkb h THR 255 CO -0.13 0.19 -0.38 -0.33 -0.25 0.00 0.00 175.52 174.61 2rkb h GLU 256 N 1.02 0.48 -0.16 4.72 5.08 -1.58 0.25 114.58 124.38 2rkb h GLU 256 Ca 0.47 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 2rkb h GLU 256 Cb 0.39 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 2rkb h GLU 256 CO -0.24 0.79 -0.07 0.00 -1.00 0.00 0.00 179.01 178.49 2rkb h ALA 257 N 1.19 0.23 -0.36 3.43 0.00 -0.66 -1.80 119.26 121.29 2rkb h ALA 257 Ca 0.04 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2rkb h ALA 257 Cb 0.85 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2rkb h ALA 257 CO 0.07 0.03 -0.00 0.28 0.00 0.00 0.00 179.25 179.63 2rkb h VAL 258 N 0.02 1.26 -0.78 0.00 2.07 -0.65 -1.56 116.25 116.61 2rkb h VAL 258 Ca 0.04 -0.99 0.15 0.00 0.82 0.00 0.00 66.70 66.72 2rkb h VAL 258 Cb 0.54 1.18 -0.10 0.00 -1.52 0.00 0.00 31.29 31.40 2rkb h VAL 258 CO 0.02 0.33 0.32 -1.28 0.02 0.00 0.00 177.57 176.99 2rkb h SER 259 N 0.46 0.31 -0.35 0.57 0.87 -0.48 0.18 113.55 115.11 2rkb h SER 259 Ca 0.10 0.11 -0.12 0.00 -1.23 0.00 0.00 61.79 60.65 2rkb h SER 259 Cb 0.47 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2rkb h SER 259 CO 0.02 0.11 -0.24 0.00 -0.53 0.00 0.00 176.83 176.19 2rkb h ALA 260 N 1.56 0.79 -0.43 6.23 0.00 -1.02 -2.17 119.26 124.22 2rkb h ALA 260 Ca 0.43 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 55.00 2rkb h ALA 260 Cb 0.66 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2rkb h ALA 260 CO -0.41 0.65 0.18 0.28 0.00 0.00 0.00 179.25 179.95 2rkb h VAL 261 N 0.74 0.90 -0.23 0.00 2.07 0.01 0.14 116.25 119.89 2rkb h VAL 261 Ca 0.10 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2rkb h VAL 261 Cb 0.78 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2rkb h VAL 261 CO 0.06 0.07 0.14 -0.61 0.02 0.00 0.00 177.57 177.25 2rkb h GLN 262 N 0.36 0.30 -0.42 1.57 5.75 -1.09 -1.67 115.11 119.92 2rkb h GLN 262 Ca 0.20 -0.02 -0.13 0.00 -0.15 0.00 0.00 58.65 58.55 2rkb h GLN 262 Cb 0.16 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 2rkb h GLN 262 CO -0.18 0.23 -0.24 1.96 -2.65 0.00 0.00 178.83 177.95 2rkb h GLN 263 N 0.29 0.87 -0.55 1.69 4.20 -1.03 -2.16 115.11 118.42 2rkb h GLN 263 Ca 0.08 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.40 2rkb h GLN 263 Cb -0.00 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 2rkb h GLN 263 CO -0.02 1.01 0.25 1.25 -0.67 0.00 0.00 178.83 180.66 2rkb h LEU 264 N 0.75 0.71 0.03 1.46 7.12 -0.60 0.39 115.31 125.17 2rkb h LEU 264 Ca 0.10 -0.07 -0.00 0.00 0.13 0.00 0.00 57.88 58.03 2rkb h LEU 264 Cb 0.78 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.73 2rkb h LEU 264 CO 0.06 0.61 -0.02 0.25 -0.13 0.00 0.00 178.44 179.22 2rkb h LEU 265 N 0.78 -0.04 -0.51 2.25 5.85 -0.97 0.13 115.31 122.80 2rkb h LEU 265 Ca 0.19 -0.17 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 2rkb h LEU 265 Cb 0.11 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2rkb h LEU 265 CO -0.02 0.15 -0.21 0.44 -0.34 0.00 0.00 178.44 178.45 2rkb h ASP 266 N -0.22 1.01 0.06 1.25 3.32 -0.82 0.21 116.42 121.23 2rkb h ASP 266 Ca -0.00 -0.38 -0.16 0.00 0.02 0.00 0.00 57.03 56.51 2rkb h ASP 266 Cb 0.21 -0.28 0.02 0.00 0.22 0.00 0.00 39.33 39.49 2rkb h ASP 266 CO 0.01 1.18 -0.64 0.44 -1.72 0.00 0.00 179.24 178.50 2rkb h ASP 267 N 0.85 0.46 -0.06 6.45 3.32 -0.21 -3.37 116.42 123.87 2rkb h ASP 267 Ca 0.11 -0.85 0.00 0.00 0.02 0.00 0.00 57.03 56.31 2rkb h ASP 267 Cb 0.79 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2rkb h ASP 267 CO 0.07 1.27 0.00 -0.62 -1.72 0.00 0.00 179.24 178.23 2rkb n GLU 268 N -4.21 2.24 -3.80 3.56 -0.58 0.43 -4.93 120.64 113.34 2rkb n GLU 268 Ca -0.12 -2.18 -0.25 0.00 -0.42 0.00 0.00 57.16 54.20 2rkb n GLU 268 Cb 0.72 -1.34 -0.02 0.00 -0.57 0.00 0.00 31.44 30.22 2rkb n GLU 268 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2rkb n ARG 269 N -0.81 -0.73 -3.70 3.49 1.85 0.74 -4.94 116.66 112.56 2rkb n ARG 269 Ca 0.11 -0.06 -0.17 0.00 -1.00 0.00 0.00 57.85 56.72 2rkb n ARG 269 Cb 0.51 -1.67 -0.17 0.00 -1.05 0.00 0.00 32.46 30.08 2rkb n ARG 269 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2rkb s MET 270 N -6.18 -0.02 -0.32 2.89 0.23 -1.25 -5.00 119.30 109.65 2rkb s MET 270 Ca 0.16 0.40 -0.23 0.00 -1.03 0.00 0.00 55.69 54.99 2rkb s MET 270 Cb -0.09 -0.36 0.00 0.00 -1.53 0.00 0.00 34.83 32.85 2rkb s MET 270 CO 0.62 -0.27 0.75 -1.17 -2.03 0.00 0.00 175.02 172.91 2rkb s LEU 271 N 1.89 4.12 0.35 0.18 2.96 -1.26 -3.79 118.68 123.12 2rkb s LEU 271 Ca 0.00 0.52 0.09 0.00 -0.22 0.00 0.00 54.13 54.52 2rkb s LEU 271 Cb -0.12 -3.00 -0.06 0.00 0.50 0.00 0.00 46.19 43.51 2rkb s LEU 271 CO -0.04 -0.61 0.01 0.68 -1.32 0.00 0.00 176.35 175.07 2rkb s VAL 272 N 2.91 2.53 0.64 1.68 -7.23 -1.26 -4.91 120.40 114.76 2rkb s VAL 272 Ca 0.30 -1.98 -0.15 0.00 -1.81 0.00 0.00 61.98 58.34 2rkb s VAL 272 Cb -0.14 -2.81 -0.01 0.00 0.56 0.00 0.00 36.38 33.98 2rkb s VAL 272 CO 0.13 -0.18 1.09 -1.61 -0.31 0.00 0.00 175.10 174.23 2rkb s GLU 273 N -3.72 2.95 0.34 4.82 2.02 -0.46 -4.82 118.70 119.83 2rkb s GLU 273 Ca 0.35 1.31 0.10 0.00 0.02 0.00 0.00 54.97 56.75 2rkb s GLU 273 Cb 0.01 -1.98 0.86 0.00 0.10 0.00 0.00 34.13 33.12 2rkb s GLU 273 CO 0.19 -1.12 1.79 -1.35 0.02 0.00 0.00 175.26 174.79 2rkb h PRO 274 N 0.10 0.62 -0.98 0.39 0.11 -1.89 0.30 132.00 130.66 2rkb h PRO 274 Ca -0.47 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 65.69 2rkb h PRO 274 Cb 1.24 -0.14 -0.07 0.00 0.11 0.00 0.00 31.00 32.14 2rkb h PRO 274 CO 0.55 0.41 0.63 0.00 -0.21 0.00 0.00 178.00 179.38 2rkb h ALA 275 N 1.64 1.48 -0.00 -0.75 0.00 -1.91 0.14 119.26 119.86 2rkb h ALA 275 Ca 0.57 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.29 2rkb h ALA 275 Cb 1.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2rkb h ALA 275 CO -0.34 0.34 -0.80 0.00 0.00 0.00 0.00 179.25 178.45 2rkb h GLY 277 N 2.04 0.00 1.28 0.00 0.00 0.98 -0.53 103.07 106.84 2rkb h GLY 277 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 2rkb h GLY 277 CO 0.11 0.00 0.39 0.00 0.00 0.00 0.00 176.54 177.05 2rkb h ALA 278 N 1.84 1.38 0.04 3.60 0.00 -0.97 0.22 119.26 125.39 2rkb h ALA 278 Ca -0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2rkb h ALA 278 Cb 0.28 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2rkb h ALA 278 CO 0.02 0.52 -0.02 0.00 0.00 0.00 0.00 179.25 179.76 2rkb h ALA 279 N 1.47 -0.06 0.00 0.00 0.00 -1.19 -2.82 119.26 116.67 2rkb h ALA 279 Ca 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2rkb h ALA 279 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2rkb h ALA 279 CO -0.04 -0.38 0.00 -0.07 0.00 0.00 0.00 179.25 178.76 2rkb h LEU 280 N -0.37 0.00 -2.35 0.00 3.38 -0.91 -1.88 115.31 113.19 2rkb h LEU 280 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2rkb h LEU 280 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2rkb h LEU 280 CO 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.53 2rkb h ALA 281 N 2.05 1.02 -0.82 1.53 0.00 -0.30 -0.77 119.26 121.98 2rkb h ALA 281 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2rkb h ALA 281 Cb 0.31 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2rkb h ALA 281 CO 0.00 0.01 0.45 0.00 0.00 0.00 0.00 179.25 179.71 2rkb h ALA 282 N 1.99 1.25 0.00 0.00 0.00 -1.42 0.56 119.26 121.64 2rkb h ALA 282 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2rkb h ALA 282 Cb 0.21 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2rkb h ALA 282 CO 0.00 0.61 -0.01 0.82 0.00 0.00 0.00 179.25 180.67 2rkb h ILE 283 N 1.14 0.00 -1.10 0.00 1.08 -1.37 -1.96 117.51 115.30 2rkb h ILE 283 Ca 0.29 -0.08 0.31 0.00 -0.39 0.00 0.00 64.86 64.99 2rkb h ILE 283 Cb 0.03 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 33.71 2rkb h ILE 283 CO -0.05 0.00 0.77 1.88 -0.69 0.00 0.00 178.15 180.06 2rkb h TYR 284 N -0.08 0.21 -0.42 1.37 0.99 -1.42 0.75 116.97 118.36 2rkb h TYR 284 Ca 0.00 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.74 2rkb h TYR 284 Cb 0.01 -0.06 0.00 0.00 1.00 0.00 0.00 36.73 37.68 2rkb h TYR 284 CO -0.00 0.02 0.00 0.43 -0.00 0.00 0.00 178.16 178.60 2rkb n SER 285 N -4.34 2.76 0.00 3.88 7.64 0.19 -4.94 113.62 118.81 2rkb n SER 285 Ca 0.25 -1.94 0.00 0.00 1.01 0.00 0.00 58.87 58.19 2rkb n SER 285 Cb 1.09 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 2rkb n SER 285 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rkb n GLY 286 N 1.35 0.55 0.16 0.23 0.00 0.26 -4.93 105.19 102.81 2rkb n GLY 286 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 2rkb n GLY 286 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2rkb h LEU 287 N 0.00 -0.13 -1.09 0.99 -0.00 -1.58 0.97 115.31 114.47 2rkb h LEU 287 Ca 0.00 0.09 0.05 0.00 -0.00 0.00 0.00 57.88 58.02 2rkb h LEU 287 Cb 0.08 0.15 -0.06 0.00 -0.00 0.00 0.00 40.66 40.83 2rkb h LEU 287 CO 0.00 -0.03 0.62 -0.07 -0.00 0.00 0.00 178.44 178.95 2rkb h LEU 288 N 0.12 0.99 -0.16 1.67 4.07 -1.70 0.25 115.31 120.55 2rkb h LEU 288 Ca 0.19 -0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.12 2rkb h LEU 288 Cb 0.26 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 2rkb h LEU 288 CO -0.31 0.65 0.00 0.03 -1.08 0.00 0.00 178.44 177.74 2rkb h ARG 289 N 1.13 0.29 -0.06 1.13 2.47 -1.52 -1.12 114.38 116.69 2rkb h ARG 289 Ca 0.39 -0.09 0.01 0.00 -1.26 0.00 0.00 59.98 59.03 2rkb h ARG 289 Cb 0.11 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 2rkb h ARG 289 CO -0.14 0.50 0.00 -0.09 0.56 0.00 0.00 179.97 180.81 2rkb h ARG 290 N 0.03 0.03 -0.91 0.04 2.43 -0.22 0.20 114.38 115.98 2rkb h ARG 290 Ca 0.05 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.28 2rkb h ARG 290 Cb 0.37 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.86 2rkb h ARG 290 CO 0.01 0.02 0.59 -0.07 -1.51 0.00 0.00 179.97 179.01 2rkb h LEU 291 N 0.03 0.92 -0.35 3.80 3.38 -0.46 0.70 115.31 123.33 2rkb h LEU 291 Ca 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2rkb h LEU 291 Cb 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2rkb h LEU 291 CO -0.04 0.60 -0.02 1.56 0.09 0.00 0.00 178.44 180.62 2rkb h GLN 292 N 1.05 0.63 0.00 1.13 4.20 -0.47 0.29 115.11 121.94 2rkb h GLN 292 Ca 0.39 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 2rkb h GLN 292 Cb 0.18 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2rkb h GLN 292 CO -0.14 0.76 -0.00 0.00 -0.67 0.00 0.00 178.83 178.78 2rkb h ALA 293 N 0.85 -0.00 0.00 3.87 0.00 0.52 -1.46 119.26 123.03 2rkb h ALA 293 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2rkb h ALA 293 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2rkb h ALA 293 CO 0.02 -0.43 0.00 0.39 0.00 0.00 0.00 179.25 179.23 2rkb n GLU 294 N -5.02 0.11 -0.51 0.00 1.02 0.23 -4.83 120.64 111.64 2rkb n GLU 294 Ca -0.07 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 2rkb n GLU 294 Cb 0.09 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 2rkb n GLU 294 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rkb n GLY 295 N -1.11 0.75 0.22 0.62 0.00 -0.46 -4.93 105.19 100.28 2rkb n GLY 295 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2rkb n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rkb s LEU 297 N -0.57 -0.52 0.33 0.00 1.43 -1.20 -4.88 118.68 113.26 2rkb s LEU 297 Ca 0.00 1.28 -0.27 0.00 -1.03 0.00 0.00 54.13 54.11 2rkb s LEU 297 Cb 0.00 2.28 -0.13 0.00 0.03 0.00 0.00 46.19 48.37 2rkb s LEU 297 CO 0.00 -0.26 1.11 -0.81 0.23 0.00 0.00 176.35 176.62 2rkb n PRO 298 N 2.59 1.63 0.11 1.29 -0.04 -1.26 -4.63 135.00 134.69 2rkb n PRO 298 Ca -0.14 0.57 0.19 0.00 -0.04 0.00 0.00 63.50 64.08 2rkb n PRO 298 Cb 0.56 -2.05 0.76 0.00 -0.04 0.00 0.00 33.50 32.73 2rkb n PRO 298 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2rkb h PRO 299 N 2.12 0.00 -4.14 0.54 0.11 -1.95 -3.38 132.00 125.29 2rkb h PRO 299 Ca -0.43 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.24 2rkb h PRO 299 Cb 1.32 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 32.09 2rkb h PRO 299 CO 0.61 0.00 -0.78 0.45 -0.21 0.00 0.00 178.00 178.06 2rkb s SER 300 N -5.72 1.24 -0.10 -2.05 0.15 -1.26 -5.13 113.70 100.83 2rkb s SER 300 Ca -0.05 -0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.45 2rkb s SER 300 Cb 0.16 -0.56 0.01 0.00 -1.71 0.00 0.00 66.02 63.93 2rkb s SER 300 CO 0.60 -0.04 -0.15 -0.76 1.20 0.00 0.00 173.24 174.08 2rkb s LEU 301 N 0.95 1.74 0.61 3.45 1.02 -1.26 -4.98 118.68 120.21 2rkb s LEU 301 Ca -0.10 -0.41 0.28 0.00 0.02 0.00 0.00 54.13 53.92 2rkb s LEU 301 Cb -0.14 -1.06 1.48 0.00 0.02 0.00 0.00 46.19 46.48 2rkb s LEU 301 CO 0.00 0.03 1.88 0.00 0.02 0.00 0.00 176.35 178.28 2rkb h THR 302 N 5.94 0.25 0.00 5.49 1.03 -1.94 -3.42 112.91 120.26 2rkb h THR 302 Ca -0.30 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.10 2rkb h THR 302 Cb 1.18 0.61 0.00 0.00 -1.07 0.00 0.00 68.15 68.88 2rkb h THR 302 CO 0.48 0.00 0.00 -1.54 -0.01 0.00 0.00 175.52 174.45 2rkb n SER 303 N -3.45 0.00 -3.75 0.00 3.41 -1.26 -4.68 113.62 103.89 2rkb n SER 303 Ca 0.05 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.52 2rkb n SER 303 Cb 0.60 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.40 2rkb n SER 303 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2rkb s VAL 304 N -2.00 -0.07 -0.24 -3.33 0.11 -0.70 0.72 120.40 114.88 2rkb s VAL 304 Ca 0.00 0.22 -0.10 0.00 -2.93 0.00 0.00 61.98 59.18 2rkb s VAL 304 Cb 0.00 -0.18 -0.04 0.00 -1.53 0.00 0.00 36.38 34.63 2rkb s VAL 304 CO 0.00 0.09 0.13 -0.69 -3.33 0.00 0.00 175.10 171.31 2rkb s VAL 305 N 1.26 5.05 -0.25 2.04 1.01 -0.05 -0.86 120.40 128.59 2rkb s VAL 305 Ca -0.08 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 2rkb s VAL 305 Cb -0.12 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 2rkb s VAL 305 CO -0.05 0.34 0.06 -0.69 0.00 0.00 0.00 175.10 174.76 2rkb s VAL 306 N 1.25 4.18 -0.41 2.92 1.01 0.49 0.29 120.40 130.14 2rkb s VAL 306 Ca 0.06 -0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 2rkb s VAL 306 Cb -0.14 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.27 2rkb s VAL 306 CO 0.05 0.30 1.24 -0.63 0.00 0.00 0.00 175.10 176.07 2rkb s ILE 307 N 1.59 4.14 -1.14 2.22 1.01 0.25 -1.26 121.20 128.01 2rkb s ILE 307 Ca 0.06 1.21 -0.16 0.00 0.00 0.00 0.00 60.65 61.75 2rkb s ILE 307 Cb -0.15 -4.39 0.14 0.00 0.01 0.00 0.00 42.46 38.07 2rkb s ILE 307 CO 0.03 -0.78 1.40 -0.69 0.00 0.00 0.00 174.94 174.90 2rkb s VAL 308 N 4.64 4.76 0.53 2.92 1.01 0.33 -4.75 120.40 129.84 2rkb s VAL 308 Ca 0.53 -2.15 0.29 0.00 0.00 0.00 0.00 61.98 60.65 2rkb s VAL 308 Cb -0.11 -4.93 0.46 0.00 0.00 0.00 0.00 36.38 31.80 2rkb s VAL 308 CO 0.29 -1.67 1.91 0.00 0.00 0.00 0.00 175.10 175.63 2rkb n GLY 310 N -1.68 1.77 0.00 0.00 0.00 -1.26 -3.34 105.19 100.67 2rkb n GLY 310 Ca 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2rkb n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rkb n GLY 311 N 0.00 2.47 0.11 -0.02 0.00 -0.76 -1.36 105.19 105.63 2rkb n GLY 311 Ca 0.00 -1.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.10 2rkb n GLY 311 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2rkb n ASN 312 N 0.00 1.41 -3.89 1.61 3.02 -1.26 -4.55 115.26 111.61 2rkb n ASN 312 Ca 0.00 0.21 -0.40 0.00 -0.03 0.00 0.00 54.58 54.36 2rkb n ASN 312 Cb 0.00 -0.29 -0.05 0.00 -0.61 0.00 0.00 39.78 38.83 2rkb n ASN 312 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2rkb n ASN 313 N -3.21 2.91 -3.59 6.41 5.15 -1.26 -4.80 115.26 116.87 2rkb n ASN 313 Ca -0.29 -2.71 -0.08 0.00 -0.60 0.00 0.00 54.58 50.90 2rkb n ASN 313 Cb 1.06 -1.34 -0.04 0.00 -0.53 0.00 0.00 39.78 38.92 2rkb n ASN 313 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2rkb s ILE 314 N 6.03 0.00 0.11 -1.44 1.10 -1.26 -4.80 121.20 120.94 2rkb s ILE 314 Ca 0.58 0.00 -0.26 0.00 -0.51 0.00 0.00 60.65 60.46 2rkb s ILE 314 Cb 0.11 -1.00 0.08 0.00 0.15 0.00 0.00 42.46 41.80 2rkb s ILE 314 CO 0.10 0.00 1.07 0.54 -2.11 0.00 0.00 174.94 174.53 2rkb s ASN 315 N -1.22 -0.11 0.16 4.50 2.20 -1.26 -4.99 114.94 114.21 2rkb s ASN 315 Ca 0.02 -0.37 -0.30 0.00 -0.94 0.00 0.00 52.86 51.27 2rkb s ASN 315 Cb -0.01 0.40 -0.06 0.00 -2.00 0.00 0.00 41.25 39.58 2rkb s ASN 315 CO -0.02 -0.74 1.54 0.28 -2.94 0.00 0.00 177.10 175.22 2rkb h SER 316 N 2.00 -2.06 -0.60 3.54 0.02 -2.01 0.12 113.55 114.56 2rkb h SER 316 Ca -0.26 0.31 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2rkb h SER 316 Cb 1.22 0.91 -0.04 0.00 0.14 0.00 0.00 62.40 64.63 2rkb h SER 316 CO 0.28 -0.27 0.37 0.03 -1.14 0.00 0.00 176.83 176.10 2rkb h ARG 317 N -0.08 0.70 -0.57 3.45 3.08 -1.99 -1.50 114.38 117.47 2rkb h ARG 317 Ca 0.16 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 2rkb h ARG 317 Cb 0.46 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 2rkb h ARG 317 CO -0.88 0.46 0.35 0.93 -1.07 0.00 0.00 179.97 179.77 2rkb h GLU 318 N 0.72 0.77 -0.90 0.04 4.39 -1.59 0.34 114.58 118.35 2rkb h GLU 318 Ca 0.24 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.91 2rkb h GLU 318 Cb 0.02 -0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 28.46 2rkb h GLU 318 CO -0.10 0.55 0.58 1.25 -1.16 0.00 0.00 179.01 180.13 2rkb h LEU 319 N 0.77 0.97 -0.29 1.33 5.85 -0.42 0.21 115.31 123.73 2rkb h LEU 319 Ca 0.20 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 2rkb h LEU 319 Cb -0.03 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 2rkb h LEU 319 CO -0.04 0.67 0.16 1.56 -0.34 0.00 0.00 178.44 180.45 2rkb h GLN 320 N 1.13 0.41 -0.07 1.25 1.08 -0.37 0.13 115.11 118.68 2rkb h GLN 320 Ca 0.36 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.54 2rkb h GLN 320 Cb 0.00 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.31 2rkb h GLN 320 CO -0.12 0.35 -0.16 0.00 -0.95 0.00 0.00 178.83 177.95 2rkb h ALA 321 N 1.03 -0.14 -0.10 3.87 0.00 -0.15 0.17 119.26 123.94 2rkb h ALA 321 Ca 0.10 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2rkb h ALA 321 Cb 0.07 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2rkb h ALA 321 CO -0.02 -0.64 -0.08 -0.07 0.00 0.00 0.00 179.25 178.45 2rkb h LEU 322 N -0.24 -0.24 -1.31 0.00 3.38 -0.71 0.41 115.31 116.60 2rkb h LEU 322 Ca 0.07 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.11 2rkb h LEU 322 Cb 0.34 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 2rkb h LEU 322 CO -0.20 -0.11 0.47 0.11 0.09 0.00 0.00 178.44 178.80 2rkb h LYS 323 N -0.09 0.92 0.25 1.13 1.57 -0.62 -0.82 116.57 118.92 2rkb h LYS 323 Ca 0.07 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2rkb h LYS 323 Cb 0.18 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2rkb h LYS 323 CO -0.15 0.61 -0.12 1.15 -0.57 0.00 0.00 179.45 180.36 2rkb h THR 324 N 0.95 0.67 -0.42 -0.16 2.02 0.01 0.51 112.91 116.49 2rkb h THR 324 Ca 0.26 -0.86 0.12 0.00 0.77 0.00 0.00 66.41 66.70 2rkb h THR 324 Cb -0.08 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 2rkb h THR 324 CO -0.06 0.15 0.61 -0.74 0.37 0.00 0.00 175.52 175.85 2rkb h HIS 325 N -0.87 0.00 -0.14 3.16 -0.00 0.04 0.33 115.15 117.67 2rkb h HIS 325 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 2rkb h HIS 325 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.92 2rkb h HIS 325 CO 0.05 0.00 0.00 1.28 -0.00 0.00 0.00 177.93 179.26 2rkb n LEU 326 N -3.37 2.86 -3.10 0.26 4.32 -0.34 -5.04 117.00 112.59 2rkb n LEU 326 Ca 0.08 -2.68 -0.12 0.00 -0.02 0.00 0.00 56.01 53.27 2rkb n LEU 326 Cb 0.77 -0.35 0.01 0.00 -1.62 0.00 0.00 43.42 42.23 2rkb n LEU 326 CO 0.22 0.66 0.05 0.61 -1.22 0.00 0.00 177.39 177.71 2rkb n GLY 327 N -0.64 -1.06 0.00 -0.72 0.00 0.11 -4.99 105.19 97.89 2rkb n GLY 327 Ca 0.14 0.97 0.00 0.00 0.00 0.00 0.00 46.02 47.13 2rkb n GLY 327 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26