#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 1.46 -1.42 -1.09 -0.58 -1.26 -4.92 120.64 112.83 2rkb n GLU 12 Ca 0.00 0.53 -0.33 0.00 -0.42 0.00 0.00 57.16 56.94 2rkb n GLU 12 Cb 0.00 -2.22 0.08 0.00 -0.57 0.00 0.00 31.44 28.73 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 1.29 2.27 0.22 3.49 0.04 -1.26 -4.95 135.00 136.11 2rkb s PRO 13 Ca 0.86 1.46 0.24 0.00 0.04 0.00 0.00 61.00 63.60 2rkb s PRO 13 Cb -0.89 -1.88 0.45 0.00 0.04 0.00 0.00 34.50 32.23 2rkb s PRO 13 CO 0.48 -1.67 1.49 0.74 0.04 0.00 0.00 177.00 178.08 2rkb h PHE 14 N -0.56 0.00 -4.25 0.56 0.04 -1.89 -3.46 116.94 107.38 2rkb h PHE 14 Ca -0.46 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 0.06 0.00 2.20 0.00 0.00 35.95 39.47 2rkb h PHE 14 CO 0.53 0.00 0.36 -3.38 -0.60 0.00 0.00 178.31 175.22 2rkb s HIS 15 N -3.18 3.47 0.27 -0.55 -3.43 -1.26 -4.76 115.29 105.85 2rkb s HIS 15 Ca 0.07 1.08 0.12 0.00 -0.80 0.00 0.00 55.06 55.52 2rkb s HIS 15 Cb 0.11 -2.81 -0.05 0.00 -1.43 0.00 0.00 32.58 28.40 2rkb s HIS 15 CO 0.68 -0.85 -0.17 0.14 -2.00 0.00 0.00 174.74 172.54 2rkb s VAL 16 N -3.18 2.64 -0.46 -5.38 -7.23 -1.26 -5.04 120.40 100.48 2rkb s VAL 16 Ca 0.55 -2.30 -0.28 0.00 -1.81 0.00 0.00 61.98 58.14 2rkb s VAL 16 Cb -0.11 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.45 2rkb s VAL 16 CO 0.51 -0.38 1.56 -0.69 -0.31 0.00 0.00 175.10 175.80 2rkb s VAL 17 N -2.42 3.69 0.44 1.32 1.01 -1.26 -4.97 120.40 118.21 2rkb s VAL 17 Ca 0.30 0.65 -0.21 0.00 0.00 0.00 0.00 61.98 62.72 2rkb s VAL 17 Cb -0.05 -4.11 -0.11 0.00 0.00 0.00 0.00 36.38 32.11 2rkb s VAL 17 CO 0.16 -0.82 0.96 0.42 0.00 0.00 0.00 175.10 175.81 2rkb s THR 18 N 6.45 4.37 0.47 3.92 -4.23 -1.26 -5.02 115.64 120.34 2rkb s THR 18 Ca 0.64 1.45 -0.24 0.00 -1.18 0.00 0.00 61.69 62.36 2rkb s THR 18 Cb -0.15 -3.60 -0.07 0.00 1.34 0.00 0.00 72.50 70.02 2rkb s THR 18 CO 0.29 -0.34 1.29 -2.84 -0.54 0.00 0.00 174.62 172.47 2rkb s PRO 19 N -3.25 3.61 -0.63 3.99 0.02 -1.26 -4.77 135.00 132.70 2rkb s PRO 19 Ca 0.62 2.08 -0.01 0.00 0.02 0.00 0.00 61.00 63.71 2rkb s PRO 19 Cb -0.09 -2.48 0.16 0.00 0.02 0.00 0.00 34.50 32.11 2rkb s PRO 19 CO 0.15 -0.76 0.43 -1.17 -0.33 0.00 0.00 177.00 175.31 2rkb s LEU 20 N -2.99 5.05 -0.02 -5.54 2.96 -1.26 -1.70 118.68 115.18 2rkb s LEU 20 Ca 0.64 -2.99 -0.19 0.00 -0.22 0.00 0.00 54.13 51.36 2rkb s LEU 20 Cb -0.36 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 2rkb s LEU 20 CO 0.45 -0.31 0.55 -0.76 -1.32 0.00 0.00 176.35 174.95 2rkb s LEU 21 N -0.27 4.41 -0.18 -0.68 1.43 -0.40 -4.79 118.68 118.20 2rkb s LEU 21 Ca 0.18 1.08 -0.23 0.00 -1.03 0.00 0.00 54.13 54.13 2rkb s LEU 21 Cb -0.20 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.16 2rkb s LEU 21 CO -0.04 0.12 0.75 -0.70 0.23 0.00 0.00 176.35 176.71 2rkb s GLU 22 N -0.21 4.26 -0.28 1.70 2.12 -1.26 0.10 118.70 125.13 2rkb s GLU 22 Ca 0.29 0.85 -0.12 0.00 0.36 0.00 0.00 54.97 56.34 2rkb s GLU 22 Cb -0.18 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 2rkb s GLU 22 CO 0.16 -0.28 0.26 0.45 -0.54 0.00 0.00 175.26 175.30 2rkb s SER 23 N 1.17 6.10 0.04 -1.70 0.15 0.90 -4.96 113.70 115.39 2rkb s SER 23 Ca 0.34 0.06 -0.29 0.00 0.70 0.00 0.00 55.95 56.77 2rkb s SER 23 Cb -0.16 -2.15 -0.17 0.00 -1.71 0.00 0.00 66.02 61.82 2rkb s SER 23 CO 0.12 -0.11 1.38 -0.25 1.20 0.00 0.00 173.24 175.57 2rkb h TRP 24 N 8.31 -0.71 -0.07 3.44 7.01 -1.96 0.27 115.95 132.24 2rkb h TRP 24 Ca -0.34 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 60.68 2rkb h TRP 24 Cb 1.18 0.24 -0.04 0.00 -2.10 0.00 0.00 29.16 28.43 2rkb h TRP 24 CO 0.75 -0.39 -0.16 0.00 -2.79 0.00 0.00 178.44 175.85 2rkb h ALA 25 N -0.63 -0.14 -0.50 2.65 0.00 -1.93 0.38 119.26 119.09 2rkb h ALA 25 Ca -0.08 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2rkb h ALA 25 Cb 0.65 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2rkb h ALA 25 CO 0.13 -0.63 0.29 -0.07 0.00 0.00 0.00 179.25 178.97 2rkb h LEU 26 N -0.23 0.47 -0.22 0.00 -0.00 -1.93 -1.28 115.31 112.12 2rkb h LEU 26 Ca 0.08 0.01 0.03 0.00 -0.00 0.00 0.00 57.88 57.99 2rkb h LEU 26 Cb 0.34 -0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 40.88 2rkb h LEU 26 CO -0.21 0.33 0.04 0.28 -0.00 0.00 0.00 178.44 178.89 2rkb h SER 27 N 0.58 0.02 -0.25 -0.43 0.02 0.29 0.29 113.55 114.07 2rkb h SER 27 Ca 0.20 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.24 2rkb h SER 27 Cb 0.02 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.54 2rkb h SER 27 CO -0.09 0.04 -0.17 1.56 -1.14 0.00 0.00 176.83 177.02 2rkb h GLN 28 N 0.13 -0.15 -0.16 3.45 1.08 0.22 0.24 115.11 119.91 2rkb h GLN 28 Ca 0.10 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 2rkb h GLN 28 Cb 0.09 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 2rkb h GLN 28 CO -0.13 -0.10 0.06 0.28 -0.95 0.00 0.00 178.83 177.99 2rkb h VAL 29 N -0.16 1.16 0.00 -0.54 2.07 -0.85 -3.01 116.25 114.93 2rkb h VAL 29 Ca 0.14 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 2rkb h VAL 29 Cb 0.37 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2rkb h VAL 29 CO -0.35 0.15 -0.21 0.00 0.02 0.00 0.00 177.57 177.18 2rkb h ALA 30 N 0.90 1.19 0.00 1.67 0.00 -0.12 -3.47 119.26 119.44 2rkb h ALA 30 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2rkb h ALA 30 Cb 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2rkb h ALA 30 CO -0.00 0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.92 2rkb n GLY 31 N -0.32 0.42 3.55 0.00 0.00 0.80 -4.71 105.19 104.92 2rkb n GLY 31 Ca -0.01 -0.99 -0.08 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 -2.50 0.65 0.11 1.61 0.23 -1.04 -5.01 119.30 113.35 2rkb s MET 32 Ca 0.00 -0.11 -0.32 0.00 -1.03 0.00 0.00 55.69 54.23 2rkb s MET 32 Cb 0.00 0.30 -0.11 0.00 -1.53 0.00 0.00 34.83 33.49 2rkb s MET 32 CO 0.00 -0.26 1.81 -0.35 -2.03 0.00 0.00 175.02 174.19 2rkb n PRO 33 N 0.13 2.65 -4.56 3.16 -0.04 -1.26 -4.22 135.00 130.85 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 -2.84 -0.15 0.00 -0.04 0.00 0.00 33.50 31.08 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 2.56 2.99 -0.11 0.52 1.01 -1.26 -1.64 120.40 124.47 2rkb s VAL 34 Ca 0.82 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 62.14 2rkb s VAL 34 Cb -0.53 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 2rkb s VAL 34 CO 0.39 0.51 -0.10 -0.36 0.00 0.00 0.00 175.10 175.54 2rkb s PHE 35 N 0.65 2.87 -0.27 5.22 0.40 -0.01 -0.07 117.98 126.77 2rkb s PHE 35 Ca -0.07 -0.33 -0.09 0.00 -0.60 0.00 0.00 56.93 55.84 2rkb s PHE 35 Cb -0.15 -1.81 -0.03 0.00 0.51 0.00 0.00 43.02 41.53 2rkb s PHE 35 CO 0.02 0.01 0.13 -0.51 0.70 0.00 0.00 175.22 175.58 2rkb s LEU 36 N -0.08 3.76 -0.64 -0.37 1.43 0.28 -0.32 118.68 122.75 2rkb s LEU 36 Ca -0.01 -0.16 -0.22 0.00 -1.03 0.00 0.00 54.13 52.71 2rkb s LEU 36 Cb -0.14 -2.02 0.08 0.00 0.03 0.00 0.00 46.19 44.15 2rkb s LEU 36 CO 0.03 -0.06 0.90 -0.75 0.23 0.00 0.00 176.35 176.70 2rkb s LYS 37 N 1.68 3.10 -1.16 1.70 2.47 -0.29 -1.28 119.74 125.96 2rkb s LYS 37 Ca 0.06 -0.92 -0.21 0.00 -1.56 0.00 0.00 55.97 53.35 2rkb s LYS 37 Cb -0.16 -4.23 -0.05 0.00 -1.46 0.00 0.00 37.83 31.93 2rkb s LYS 37 CO 0.07 -1.74 1.91 0.00 0.16 0.00 0.00 175.35 175.75 2rkb n GLU 39 N 7.87 0.38 0.17 0.00 -0.58 -0.51 -2.77 120.64 125.21 2rkb n GLU 39 Ca 0.47 0.03 0.14 0.00 -0.42 0.00 0.00 57.16 57.38 2rkb n GLU 39 Cb 0.45 -1.50 0.50 0.00 -0.57 0.00 0.00 31.44 30.32 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 -0.71 1.62 -1.07 -1.57 -2.84 115.58 111.01 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 0.26 0.00 -0.24 0.00 -2.07 0.00 0.00 38.32 36.27 2rkb h ASN 40 CO 0.00 0.00 0.25 1.33 0.07 0.00 0.00 177.43 179.08 2rkb n VAL 41 N -2.53 2.95 -3.23 6.14 0.24 -1.11 -4.61 118.33 116.17 2rkb n VAL 41 Ca 0.02 -2.65 -0.35 0.00 -2.04 0.00 0.00 64.34 59.33 2rkb n VAL 41 Cb 0.31 -0.58 -0.06 0.00 -1.47 0.00 0.00 33.84 32.04 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 -3.40 4.07 0.33 7.34 -1.52 -1.08 -4.98 119.66 120.43 2rkb s GLN 42 Ca 0.53 0.64 0.09 0.00 -1.95 0.00 0.00 55.36 54.67 2rkb s GLN 42 Cb 0.45 -2.80 0.98 0.00 -0.22 0.00 0.00 33.01 31.42 2rkb s GLN 42 CO 0.04 0.37 1.58 -1.00 -0.25 0.00 0.00 175.29 176.03 2rkb h PRO 43 N 3.18 0.02 -0.01 2.91 0.13 -1.86 0.17 132.00 136.54 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 -0.08 -1.13 -0.23 0.00 0.00 178.00 177.23 2rkb n SER 44 N -5.39 0.62 0.00 1.44 3.41 -1.26 -4.89 113.62 107.55 2rkb n SER 44 Ca 0.29 -0.85 0.00 0.00 -0.26 0.00 0.00 58.87 58.05 2rkb n SER 44 Cb 0.96 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 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 1.21 0.53 3.82 5.00 0.00 0.59 -4.62 105.19 111.72 2rkb n GLY 45 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.01 -0.11 0.64 1.61 1.04 -1.23 -1.84 113.70 111.80 2rkb s SER 46 Ca 0.00 -0.69 0.40 0.00 0.48 0.00 0.00 55.95 56.14 2rkb s SER 46 Cb 0.00 0.63 2.19 0.00 0.10 0.00 0.00 66.02 68.94 2rkb s SER 46 CO 0.00 -1.21 2.30 2.19 0.98 0.00 0.00 173.24 177.50 2rkb h PHE 47 N 2.00 0.00 -1.00 5.02 -5.15 -1.55 -3.21 116.94 113.04 2rkb h PHE 47 Ca -0.26 0.00 0.34 0.00 -0.20 0.00 0.00 57.97 57.86 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 0.84 0.01 0.57 0.87 -2.00 0.00 0.00 178.31 178.60 2rkb h LYS 48 N 0.00 0.25 -0.14 6.09 1.79 -1.91 0.12 116.57 122.77 2rkb h LYS 48 Ca -0.00 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.49 2rkb h LYS 48 Cb 0.07 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2rkb h LYS 48 CO 0.00 0.16 0.22 0.97 -1.08 0.00 0.00 179.45 179.72 2rkb h ILE 49 N 0.25 0.29 0.14 1.86 6.09 -1.90 -0.89 117.51 123.36 2rkb h ILE 49 Ca 0.76 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 64.24 2rkb h ILE 49 Cb 1.81 0.81 0.00 0.00 0.47 0.00 0.00 36.82 39.91 2rkb h ILE 49 CO -0.64 0.00 -0.07 0.03 -3.07 0.00 0.00 178.15 174.40 2rkb h ARG 50 N 0.00 -0.18 0.10 2.19 3.08 -1.03 0.22 114.38 118.75 2rkb h ARG 50 Ca 0.06 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2rkb h ARG 50 Cb 0.50 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2rkb h ARG 50 CO -0.00 -0.12 -0.05 0.78 -1.07 0.00 0.00 179.97 179.51 2rkb h GLY 51 N -0.20 -0.14 1.24 0.04 0.00 -1.61 -1.96 103.07 100.44 2rkb h GLY 51 Ca -0.02 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 2rkb h GLY 51 CO 0.03 -0.05 0.33 -2.22 0.00 0.00 0.00 176.54 174.63 2rkb h ILE 52 N -0.43 1.22 -0.49 2.60 2.04 -1.30 0.19 117.51 121.35 2rkb h ILE 52 Ca -0.01 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 2rkb h ILE 52 Cb 0.36 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 2rkb h ILE 52 CO 0.02 0.27 0.20 1.23 0.00 0.00 0.00 178.15 179.86 2rkb h GLY 53 N 1.04 0.78 1.05 5.37 0.00 -0.53 -1.14 103.07 109.64 2rkb h GLY 53 Ca 0.24 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 2rkb h GLY 53 CO -0.03 0.40 -0.01 0.84 0.00 0.00 0.00 176.54 177.74 2rkb h HIS 54 N 0.64 1.06 -0.12 5.60 -0.00 -0.80 -1.66 115.15 119.87 2rkb h HIS 54 Ca 0.16 -0.19 0.04 0.00 -0.00 0.00 0.00 60.37 60.38 2rkb h HIS 54 Cb 0.19 -0.28 -0.04 0.00 -0.00 0.00 0.00 27.41 27.28 2rkb h HIS 54 CO 0.00 0.97 -0.12 0.35 -0.00 0.00 0.00 177.93 179.13 2rkb h PHE 55 N 0.85 -0.29 -0.69 5.26 3.57 -0.27 -1.02 116.94 124.35 2rkb h PHE 55 Ca 0.15 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 2rkb h PHE 55 Cb 0.55 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 2rkb h PHE 55 CO 0.04 -0.18 0.35 0.00 -2.23 0.00 0.00 178.31 176.29 2rkb h GLN 57 N 0.95 1.23 -0.35 0.00 4.20 -0.81 0.11 115.11 120.45 2rkb h GLN 57 Ca 0.24 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 2rkb h GLN 57 Cb 0.09 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 2rkb h GLN 57 CO -0.03 0.83 -0.00 0.93 -0.67 0.00 0.00 178.83 179.88 2rkb h GLU 58 N 1.26 0.61 -0.31 1.46 4.39 -0.75 -1.37 114.58 119.88 2rkb h GLU 58 Ca 0.34 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 2rkb h GLU 58 Cb -0.11 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 2rkb h GLU 58 CO -0.07 0.73 0.16 0.52 -1.16 0.00 0.00 179.01 179.19 2rkb h MET 59 N 0.42 0.42 0.28 2.33 2.86 -0.69 0.65 114.93 121.19 2rkb h MET 59 Ca 0.10 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 2rkb h MET 59 Cb 0.46 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.03 2rkb h MET 59 CO 0.02 0.32 -0.13 0.00 1.06 0.00 0.00 176.91 178.17 2rkb h ALA 60 N 1.75 -0.38 -0.72 6.32 0.00 -0.25 0.29 119.26 126.28 2rkb h ALA 60 Ca 0.11 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.99 2rkb h ALA 60 Cb 0.03 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 2rkb h ALA 60 CO -0.02 -0.63 0.35 0.87 0.00 0.00 0.00 179.25 179.82 2rkb h LYS 61 N -0.53 0.57 0.00 0.00 1.57 -0.52 0.25 116.57 117.90 2rkb h LYS 61 Ca -0.04 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2rkb h LYS 61 Cb 0.39 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2rkb h LYS 61 CO 0.06 0.37 0.00 1.17 -0.57 0.00 0.00 179.45 180.49 2rkb n LYS 62 N -4.88 0.28 -1.43 3.15 4.81 0.15 -4.81 118.16 115.44 2rkb n LYS 62 Ca 0.11 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 2rkb n LYS 62 Cb 0.29 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.84 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 -0.33 0.99 3.72 3.14 0.00 0.87 -5.05 105.19 108.52 2rkb n GLY 63 Ca 0.07 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 3.41 2.63 -3.65 0.00 3.00 0.44 -4.74 116.66 117.75 2rkb n ARG 65 Ca 0.05 -0.23 -0.06 0.00 -0.01 0.00 0.00 57.85 57.60 2rkb n ARG 65 Cb 0.49 -1.11 -0.07 0.00 0.00 0.00 0.00 32.46 31.78 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 -1.98 -1.05 -0.14 -1.55 2.46 -0.79 -4.11 115.29 108.13 2rkb s HIS 66 Ca 0.07 2.03 -0.04 0.00 0.47 0.00 0.00 55.06 57.58 2rkb s HIS 66 Cb 0.10 0.61 -0.03 0.00 -0.13 0.00 0.00 32.58 33.12 2rkb s HIS 66 CO 0.44 -0.53 0.02 -0.51 -2.47 0.00 0.00 174.74 171.69 2rkb s LEU 67 N 1.93 3.61 0.12 8.88 1.43 -0.32 -1.55 118.68 132.79 2rkb s LEU 67 Ca -0.09 0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.16 2rkb s LEU 67 Cb -0.07 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 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 1.73 -0.08 -1.59 0.11 -0.41 -0.31 120.40 119.73 2rkb s VAL 68 Ca 0.05 -1.68 -0.19 0.00 -2.93 0.00 0.00 61.98 57.23 2rkb s VAL 68 Cb -0.12 -1.65 0.04 0.00 -1.53 0.00 0.00 36.38 33.12 2rkb s VAL 68 CO 0.02 -0.16 0.45 0.00 -3.33 0.00 0.00 175.10 172.08 2rkb n SER 70 N 1.77 3.36 -4.56 0.00 3.41 -1.26 -0.75 113.62 115.58 2rkb n SER 70 Ca -0.18 -2.31 -0.38 0.00 -0.26 0.00 0.00 58.87 55.74 2rkb n SER 70 Cb 0.56 -0.35 -0.11 0.00 -0.26 0.00 0.00 64.21 64.05 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 5.86 0.00 4.04 0.15 -1.26 -4.78 113.70 116.47 2rkb s SER 71 Ca 0.31 -0.10 0.27 0.00 0.70 0.00 0.00 55.95 57.14 2rkb s SER 71 Cb 0.20 -2.09 0.89 0.00 -1.71 0.00 0.00 66.02 63.31 2rkb s SER 71 CO 0.15 -0.07 1.65 0.61 1.20 0.00 0.00 173.24 176.78 2rkb n GLY 72 N 5.04 -0.23 0.00 9.45 0.00 -1.26 -2.91 105.19 115.27 2rkb n GLY 72 Ca -0.14 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 1.28 0.28 -0.02 0.00 -1.26 -4.72 105.19 102.01 2rkb n GLY 73 Ca 0.16 -1.59 0.01 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 0.51 -0.43 1.61 2.35 -1.96 -1.26 115.58 116.40 2rkb h ASN 74 Ca 0.00 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 2rkb h ASN 74 Cb 0.00 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2rkb h ASN 74 CO 0.00 0.51 0.20 0.00 -1.65 0.00 0.00 177.43 176.49 2rkb h ALA 75 N 1.56 0.55 -0.34 -0.83 0.00 -1.92 -1.16 119.26 117.12 2rkb h ALA 75 Ca 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2rkb h ALA 75 Cb 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2rkb h ALA 75 CO -0.00 0.12 0.15 0.78 0.00 0.00 0.00 179.25 180.30 2rkb h GLY 76 N 0.55 0.54 0.86 0.00 0.00 -1.26 0.20 103.07 103.95 2rkb h GLY 76 Ca 0.15 -0.28 0.03 0.00 0.00 0.00 0.00 47.33 47.23 2rkb h GLY 76 CO -0.02 0.26 0.33 -2.22 0.00 0.00 0.00 176.54 174.90 2rkb h ILE 77 N 0.41 1.05 -0.21 2.60 2.04 -1.11 0.20 117.51 122.49 2rkb h ILE 77 Ca 0.12 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 2rkb h ILE 77 Cb 0.15 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2rkb h ILE 77 CO -0.01 0.12 0.12 0.00 0.00 0.00 0.00 178.15 178.37 2rkb h ALA 78 N 1.25 0.26 0.04 1.87 0.00 -0.89 0.53 119.26 122.32 2rkb h ALA 78 Ca 0.23 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2rkb h ALA 78 Cb 0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 2rkb h ALA 78 CO -0.10 -0.21 -0.35 0.00 0.00 0.00 0.00 179.25 178.59 2rkb h ALA 79 N 1.01 -0.55 -0.44 0.00 0.00 0.07 0.24 119.26 119.60 2rkb h ALA 79 Ca 0.07 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.03 2rkb h ALA 79 Cb 0.06 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 2rkb h ALA 79 CO -0.01 -0.88 -0.03 0.00 0.00 0.00 0.00 179.25 178.33 2rkb h ALA 80 N 0.13 0.38 0.20 0.00 0.00 -0.41 0.16 119.26 119.72 2rkb h ALA 80 Ca 0.05 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2rkb h ALA 80 Cb 0.59 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2rkb h ALA 80 CO -0.26 -0.41 -0.22 -0.92 0.00 0.00 0.00 179.25 177.44 2rkb h TYR 81 N 0.08 -0.59 -0.52 0.00 3.20 -0.16 0.96 116.97 119.94 2rkb h TYR 81 Ca 0.22 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.14 2rkb h TYR 81 Cb 0.32 0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.78 2rkb h TYR 81 CO -0.31 -0.33 0.25 0.00 -1.64 0.00 0.00 178.16 176.13 2rkb h ALA 82 N 0.25 0.66 -0.23 1.82 0.00 -0.08 -0.61 119.26 121.07 2rkb h ALA 82 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2rkb h ALA 82 Cb 0.45 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2rkb h ALA 82 CO -0.07 -0.11 0.05 0.00 0.00 0.00 0.00 179.25 179.12 2rkb h ALA 83 N 1.30 0.24 -0.06 0.00 0.00 -0.28 -0.94 119.26 119.51 2rkb h ALA 83 Ca 0.24 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.21 2rkb h ALA 83 Cb 0.18 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2rkb h ALA 83 CO -0.18 -0.38 -0.05 -0.09 0.00 0.00 0.00 179.25 178.55 2rkb h ARG 84 N 0.14 -0.05 0.00 0.00 2.43 -0.15 0.10 114.38 116.84 2rkb h ARG 84 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2rkb h ARG 84 Cb 0.10 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2rkb h ARG 84 CO -0.14 -0.03 0.00 0.87 -1.51 0.00 0.00 179.97 179.16 2rkb h LYS 85 N -0.05 0.00 -0.01 0.20 1.79 -0.74 0.66 116.57 118.42 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 0.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2rkb h LYS 85 CO -0.10 0.00 -0.64 1.28 -1.08 0.00 0.00 179.45 178.91 2rkb n LEU 86 N -2.63 1.45 -1.16 2.94 4.77 0.17 -4.96 117.00 117.58 2rkb n LEU 86 Ca -0.02 -0.56 -0.12 0.00 -0.03 0.00 0.00 56.01 55.28 2rkb n LEU 86 Cb 0.06 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 2rkb n LEU 86 CO 0.15 0.30 -0.13 0.61 -1.33 0.00 0.00 177.39 176.98 2rkb n GLY 87 N 1.45 0.40 3.48 -0.72 0.00 0.23 -5.00 105.19 105.02 2rkb n GLY 87 Ca 0.07 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.53 3.39 0.28 -0.61 1.01 -0.62 -5.03 121.20 117.09 2rkb s ILE 88 Ca 0.00 -0.57 -0.30 0.00 0.00 0.00 0.00 60.65 59.78 2rkb s ILE 88 Cb 0.00 -2.40 -0.13 0.00 0.01 0.00 0.00 42.46 39.94 2rkb s ILE 88 CO 0.00 0.56 1.40 -2.65 0.00 0.00 0.00 174.94 174.25 2rkb n PRO 89 N 2.81 2.17 -5.14 2.79 -0.02 -1.26 -4.28 135.00 132.07 2rkb n PRO 89 Ca -0.18 0.77 -0.32 0.00 -2.02 0.00 0.00 63.50 61.75 2rkb n PRO 89 Cb 0.53 -2.42 -0.16 0.00 -0.02 0.00 0.00 33.50 31.42 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 -0.37 2.25 -0.13 3.55 0.00 -1.26 -1.17 121.76 124.64 2rkb s ALA 90 Ca 0.64 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.65 2rkb s ALA 90 Cb -0.60 -0.88 0.02 0.00 0.00 0.00 0.00 23.12 21.66 2rkb s ALA 90 CO 0.53 0.29 -0.14 0.99 0.00 0.00 0.00 175.76 177.43 2rkb s THR 91 N 0.32 1.49 -0.19 0.00 2.01 0.58 -1.47 115.64 118.37 2rkb s THR 91 Ca -0.17 -0.61 -0.05 0.00 0.31 0.00 0.00 61.69 61.18 2rkb s THR 91 Cb -0.17 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.92 2rkb s THR 91 CO 0.08 0.44 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.82 2rkb s ILE 92 N 1.27 3.96 -0.25 1.82 -1.09 0.22 -0.76 121.20 126.37 2rkb s ILE 92 Ca -0.01 -0.32 0.02 0.00 -2.23 0.00 0.00 60.65 58.12 2rkb s ILE 92 Cb -0.14 -2.78 0.05 0.00 -1.58 0.00 0.00 42.46 38.01 2rkb s ILE 92 CO -0.06 0.44 -0.11 0.54 -1.23 0.00 0.00 174.94 174.52 2rkb s VAL 93 N 0.86 2.25 0.40 2.92 0.11 0.07 -1.02 120.40 125.99 2rkb s VAL 93 Ca 0.01 -1.48 0.08 0.00 -2.93 0.00 0.00 61.98 57.65 2rkb s VAL 93 Cb -0.14 -2.25 -0.07 0.00 -1.53 0.00 0.00 36.38 32.39 2rkb s VAL 93 CO 0.02 0.07 0.05 -0.76 -3.33 0.00 0.00 175.10 171.15 2rkb s LEU 94 N 1.15 2.95 0.75 2.54 2.01 -0.75 -4.34 118.68 122.99 2rkb s LEU 94 Ca -0.06 -1.23 -0.11 0.00 0.01 0.00 0.00 54.13 52.74 2rkb s LEU 94 Cb -0.19 -1.12 0.04 0.00 0.01 0.00 0.00 46.19 44.93 2rkb s LEU 94 CO -0.06 -0.43 1.08 -2.16 1.01 0.00 0.00 176.35 175.79 2rkb s PRO 95 N -3.76 2.48 0.64 1.29 0.04 -1.26 -1.49 135.00 132.95 2rkb s PRO 95 Ca 0.37 0.88 0.39 0.00 0.04 0.00 0.00 61.00 62.68 2rkb s PRO 95 Cb 0.06 -1.94 2.22 0.00 0.04 0.00 0.00 34.50 34.88 2rkb s PRO 95 CO 0.19 -1.40 2.33 0.93 0.04 0.00 0.00 177.00 179.09 2rkb h GLU 96 N -0.94 0.00 0.00 4.56 5.08 -0.43 -0.35 114.58 122.49 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 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 179.24 2rkb h SER 97 N 0.00 0.00 -1.96 1.42 4.64 -1.79 -3.46 113.55 112.41 2rkb h SER 97 Ca 0.00 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 2rkb h SER 97 Cb 0.00 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.17 2rkb h SER 97 CO -0.00 0.00 0.32 0.41 -0.87 0.00 0.00 176.83 176.69 2rkb n THR 98 N -2.69 0.78 -2.20 2.95 -1.04 -0.14 -4.92 114.28 107.02 2rkb n THR 98 Ca 0.02 -0.19 -0.39 0.00 -2.04 0.00 0.00 64.05 61.45 2rkb n THR 98 Cb 0.31 -0.89 -0.01 0.00 -1.82 0.00 0.00 70.33 67.92 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 0.08 6.40 0.34 8.00 0.15 -1.26 -4.95 113.70 122.46 2rkb s SER 99 Ca 0.74 2.46 0.02 0.00 0.70 0.00 0.00 55.95 59.87 2rkb s SER 99 Cb -0.85 -2.62 0.60 0.00 -1.71 0.00 0.00 66.02 61.43 2rkb s SER 99 CO 0.51 -0.77 1.97 0.25 1.20 0.00 0.00 173.24 176.40 2rkb h LEU 100 N 2.59 0.71 -1.57 3.45 7.12 -1.98 -1.64 115.31 123.99 2rkb h LEU 100 Ca -0.49 -0.05 -0.00 0.00 0.13 0.00 0.00 57.88 57.47 2rkb h LEU 100 Cb 1.24 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 41.17 2rkb h LEU 100 CO 0.62 0.57 0.23 0.06 -0.13 0.00 0.00 178.44 179.79 2rkb h GLN 101 N 0.81 0.52 -0.00 1.25 3.07 -1.99 0.25 115.11 119.01 2rkb h GLN 101 Ca 0.21 -0.04 -0.00 0.00 0.09 0.00 0.00 58.65 58.91 2rkb h GLN 101 Cb 0.01 -0.11 -0.00 0.00 0.08 0.00 0.00 27.48 27.46 2rkb h GLN 101 CO -0.03 0.37 -0.00 0.28 0.09 0.00 0.00 178.83 179.53 2rkb h VAL 102 N 0.53 1.36 -0.39 1.86 2.07 -1.70 -1.87 116.25 118.11 2rkb h VAL 102 Ca 0.14 -1.06 0.07 0.00 0.82 0.00 0.00 66.70 66.66 2rkb h VAL 102 Cb -0.01 2.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 2rkb h VAL 102 CO -0.03 0.28 0.05 0.58 0.02 0.00 0.00 177.57 178.47 2rkb h VAL 103 N -0.44 0.76 -0.60 2.57 2.07 -1.00 -1.49 116.25 118.13 2rkb h VAL 103 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2rkb h VAL 103 Cb 0.45 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2rkb h VAL 103 CO 0.00 0.03 0.38 1.56 0.02 0.00 0.00 177.57 179.56 2rkb h GLN 104 N 0.17 0.79 -0.52 1.57 4.20 -0.96 -0.34 115.11 120.02 2rkb h GLN 104 Ca 0.19 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.87 2rkb h GLN 104 Cb 0.25 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2rkb h GLN 104 CO -0.28 0.54 0.31 -0.09 -0.67 0.00 0.00 178.83 178.65 2rkb h ARG 105 N 0.81 0.61 -0.47 1.46 9.65 -0.73 0.16 114.38 125.87 2rkb h ARG 105 Ca 0.22 -0.04 -0.10 0.00 -1.10 0.00 0.00 59.98 58.96 2rkb h ARG 105 Cb -0.07 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.36 2rkb h ARG 105 CO -0.04 0.40 -0.13 -0.07 2.80 0.00 0.00 179.97 182.93 2rkb h LEU 106 N 0.63 0.87 -1.47 3.80 3.38 -0.94 -1.61 115.31 119.96 2rkb h LEU 106 Ca 0.21 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2rkb h LEU 106 Cb 0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2rkb h LEU 106 CO -0.09 1.00 -0.27 1.56 0.09 0.00 0.00 178.44 180.74 2rkb h GLN 107 N 0.78 0.00 0.00 1.13 4.20 -0.53 -0.01 115.11 120.68 2rkb h GLN 107 Ca 0.12 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2rkb h GLN 107 Cb 0.64 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 2rkb h GLN 107 CO 0.04 0.27 -0.06 0.78 -0.67 0.00 0.00 178.83 179.20 2rkb h GLY 108 N 0.86 0.00 -1.04 3.46 0.00 0.31 0.28 103.07 106.95 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 0.03 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.75 2rkb n GLU 109 N -3.77 1.85 -0.78 4.80 -0.58 -0.04 -4.92 120.64 117.20 2rkb n GLU 109 Ca -0.02 -1.27 0.00 0.00 -0.42 0.00 0.00 57.16 55.44 2rkb n GLU 109 Cb 0.15 -1.41 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 1.18 0.56 3.91 0.62 0.00 0.09 -4.59 105.19 106.96 2rkb n GLY 110 Ca 0.17 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 3.97 0.29 4.61 0.00 -1.09 -4.63 121.76 122.91 2rkb s ALA 111 Ca 0.00 -0.80 -0.15 0.00 0.00 0.00 0.00 51.96 51.01 2rkb s ALA 111 Cb 0.00 -1.85 -0.09 0.00 0.00 0.00 0.00 23.12 21.19 2rkb s ALA 111 CO 0.00 0.78 0.70 -1.83 0.00 0.00 0.00 175.76 175.41 2rkb s GLU 112 N -2.18 4.01 -0.25 0.00 -1.05 -0.55 -3.91 118.70 114.78 2rkb s GLU 112 Ca 0.30 0.64 0.02 0.00 -0.15 0.00 0.00 54.97 55.78 2rkb s GLU 112 Cb -0.13 -2.54 0.06 0.00 -0.44 0.00 0.00 34.13 31.08 2rkb s GLU 112 CO 0.23 0.22 -0.08 0.08 0.95 0.00 0.00 175.26 176.65 2rkb s VAL 113 N -1.88 1.88 -0.25 1.83 1.01 -1.26 -0.61 120.40 121.12 2rkb s VAL 113 Ca 0.51 -1.45 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 2rkb s VAL 113 Cb -0.11 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 2rkb s VAL 113 CO 0.18 -0.06 0.18 -1.10 0.00 0.00 0.00 175.10 174.30 2rkb s GLN 114 N 1.24 4.04 -0.40 2.72 -0.21 -0.19 -5.00 119.66 121.86 2rkb s GLN 114 Ca -0.08 -0.27 -0.14 0.00 0.02 0.00 0.00 55.36 54.90 2rkb s GLN 114 Cb -0.19 -3.58 0.02 0.00 1.00 0.00 0.00 33.01 30.26 2rkb s GLN 114 CO -0.06 -0.01 0.27 -0.51 -2.12 0.00 0.00 175.29 172.86 2rkb s LEU 115 N 1.28 4.99 -0.00 2.90 2.01 -1.26 -1.81 118.68 126.79 2rkb s LEU 115 Ca 0.08 -0.94 0.00 0.00 0.01 0.00 0.00 54.13 53.28 2rkb s LEU 115 Cb -0.14 -2.12 0.00 0.00 0.01 0.00 0.00 46.19 43.95 2rkb s LEU 115 CO 0.06 -0.43 0.00 0.42 1.01 0.00 0.00 176.35 177.42 2rkb s THR 116 N 1.64 0.01 0.00 5.49 -4.23 -0.55 -4.70 115.64 113.30 2rkb s THR 116 Ca 0.04 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 2rkb s THR 116 Cb -0.19 -0.03 0.00 0.00 1.34 0.00 0.00 72.50 73.62 2rkb s THR 116 CO 0.09 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 2rkb n GLY 117 N 3.19 1.16 0.11 3.99 0.00 -1.26 -3.57 105.19 108.82 2rkb n GLY 117 Ca -0.14 -1.66 -0.16 0.00 0.00 0.00 0.00 46.02 44.06 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 0.18 -6.39 1.61 1.63 -1.96 0.37 116.57 112.02 2rkb h LYS 118 Ca 0.00 -0.31 -0.61 0.00 -0.85 0.00 0.00 60.65 58.88 2rkb h LYS 118 Cb 0.00 0.12 -0.13 0.00 -0.60 0.00 0.00 32.23 31.61 2rkb h LYS 118 CO 0.00 0.97 -0.71 0.54 -3.45 0.00 0.00 179.45 176.80 2rkb s VAL 119 N -2.59 3.21 0.29 2.00 0.11 -1.26 -4.34 120.40 117.82 2rkb s VAL 119 Ca -0.13 -1.74 0.04 0.00 -2.93 0.00 0.00 61.98 57.22 2rkb s VAL 119 Cb 0.07 -2.62 0.29 0.00 -1.53 0.00 0.00 36.38 32.59 2rkb s VAL 119 CO 0.81 -0.17 1.78 -0.25 -3.33 0.00 0.00 175.10 173.93 2rkb h TRP 120 N 2.69 1.02 -0.56 1.54 7.01 -1.94 -2.46 115.95 123.24 2rkb h TRP 120 Ca -0.46 0.03 0.11 0.00 2.11 0.00 0.00 58.89 60.69 2rkb h TRP 120 Cb 1.22 -0.30 -0.10 0.00 -2.10 0.00 0.00 29.16 27.87 2rkb h TRP 120 CO 0.66 0.24 -0.05 -0.44 -2.79 0.00 0.00 178.44 176.06 2rkb h ASP 121 N 0.76 -0.35 -0.50 2.65 3.32 -1.97 0.19 116.42 120.51 2rkb h ASP 121 Ca 0.55 0.15 0.05 0.00 0.02 0.00 0.00 57.03 57.81 2rkb h ASP 121 Cb 0.82 0.29 -0.05 0.00 0.22 0.00 0.00 39.33 40.61 2rkb h ASP 121 CO -0.37 -0.13 0.23 -0.33 -1.72 0.00 0.00 179.24 176.91 2rkb h GLU 122 N 0.07 0.43 -0.71 3.56 5.08 -1.78 0.31 114.58 121.54 2rkb h GLU 122 Ca 0.28 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2rkb h GLU 122 Cb 0.45 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2rkb h GLU 122 CO -0.52 0.28 0.44 0.00 -1.00 0.00 0.00 179.01 178.22 2rkb h ALA 123 N 1.29 0.91 -0.36 3.43 0.00 -1.17 0.64 119.26 123.99 2rkb h ALA 123 Ca 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2rkb h ALA 123 Cb 0.18 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2rkb h ALA 123 CO -0.19 0.37 0.16 -0.97 0.00 0.00 0.00 179.25 178.62 2rkb h ASN 124 N 0.97 0.48 -0.73 0.00 -1.24 0.47 0.28 115.58 115.81 2rkb h ASN 124 Ca 0.26 -0.14 0.01 0.00 0.71 0.00 0.00 56.30 57.13 2rkb h ASN 124 Cb -0.05 -0.12 -0.04 0.00 0.73 0.00 0.00 38.32 38.84 2rkb h ASN 124 CO -0.05 0.49 0.48 -0.07 -1.29 0.00 0.00 177.43 176.99 2rkb h LEU 125 N 0.44 0.83 -1.16 0.34 4.07 -0.01 -1.52 115.31 118.30 2rkb h LEU 125 Ca 0.12 -0.02 0.02 0.00 0.08 0.00 0.00 57.88 58.08 2rkb h LEU 125 Cb 0.15 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 41.64 2rkb h LEU 125 CO -0.01 0.60 0.57 -0.09 -1.08 0.00 0.00 178.44 178.42 2rkb h ARG 126 N 0.98 1.09 -0.61 1.13 9.65 -0.32 0.12 114.38 126.43 2rkb h ARG 126 Ca 0.27 -0.07 -0.07 0.00 -1.10 0.00 0.00 59.98 59.02 2rkb h ARG 126 Cb -0.10 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.21 2rkb h ARG 126 CO -0.06 0.72 0.12 0.00 2.80 0.00 0.00 179.97 183.55 2rkb h ALA 127 N 1.48 0.80 -0.42 2.80 0.00 -0.09 -1.82 119.26 122.01 2rkb h ALA 127 Ca 0.33 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2rkb h ALA 127 Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2rkb h ALA 127 CO -0.08 0.54 -0.19 1.96 0.00 0.00 0.00 179.25 181.47 2rkb h GLN 128 N 0.90 0.83 -0.02 0.00 4.20 -0.42 -1.32 115.11 119.27 2rkb h GLN 128 Ca 0.19 -0.32 0.02 0.00 0.06 0.00 0.00 58.65 58.59 2rkb h GLN 128 Cb 0.39 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 2rkb h GLN 128 CO 0.01 0.95 -0.07 0.93 -0.67 0.00 0.00 178.83 179.98 2rkb h GLU 129 N 0.73 -0.10 -0.60 1.46 4.39 -0.51 -1.83 114.58 118.11 2rkb h GLU 129 Ca 0.10 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.83 2rkb h GLU 129 Cb 0.72 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 2rkb h GLU 129 CO 0.05 -0.07 0.40 -0.07 -1.16 0.00 0.00 179.01 178.16 2rkb h LEU 130 N -0.11 0.66 -2.07 1.33 3.38 -1.15 0.16 115.31 117.51 2rkb h LEU 130 Ca 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2rkb h LEU 130 Cb 0.15 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2rkb h LEU 130 CO -0.09 0.47 0.00 0.00 0.09 0.00 0.00 178.44 178.91 2rkb h ALA 131 N 1.64 1.00 -0.01 1.53 0.00 -0.44 -1.54 119.26 121.44 2rkb h ALA 131 Ca 0.23 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2rkb h ALA 131 Cb -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2rkb h ALA 131 CO -0.05 0.00 -0.34 0.87 0.00 0.00 0.00 179.25 179.73 2rkb h LYS 132 N 0.00 0.02 -6.86 0.00 1.57 -0.32 -3.41 116.57 107.57 2rkb h LYS 132 Ca 0.00 -0.01 -0.54 0.00 -1.87 0.00 0.00 60.65 58.23 2rkb h LYS 132 Cb 0.26 -0.00 0.20 0.00 0.08 0.00 0.00 32.23 32.76 2rkb h LYS 132 CO 0.00 0.35 -0.23 0.54 -0.57 0.00 0.00 179.45 179.54 2rkb n ARG 133 N -4.13 0.07 0.00 3.15 1.74 -0.58 -4.95 116.66 111.97 2rkb n ARG 133 Ca -0.02 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2rkb n ARG 133 Cb 0.38 -2.02 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 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 -1.51 0.00 -0.23 0.55 2.03 -1.26 -2.97 116.55 113.15 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 0.03 3.82 0.27 0.00 -1.26 -4.76 105.19 103.28 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 -1.55 3.69 -0.03 1.61 0.52 -1.16 -0.42 118.94 121.61 2rkb s TRP 136 Ca 0.00 0.97 0.02 0.00 0.02 0.00 0.00 56.10 57.11 2rkb s TRP 136 Cb 0.00 -2.32 0.01 0.00 -1.15 0.00 0.00 33.47 30.01 2rkb s TRP 136 CO 0.00 0.57 -0.08 -1.21 0.02 0.00 0.00 176.95 176.25 2rkb s GLU 137 N -0.82 1.02 -0.17 4.98 0.41 -0.59 -4.72 118.70 118.81 2rkb s GLU 137 Ca 0.24 -0.27 -0.22 0.00 -0.41 0.00 0.00 54.97 54.31 2rkb s GLU 137 Cb -0.16 -0.94 -0.03 0.00 -1.78 0.00 0.00 34.13 31.22 2rkb s GLU 137 CO 0.13 0.06 0.66 1.21 -0.49 0.00 0.00 175.26 176.83 2rkb s ASN 138 N 0.42 6.78 -0.41 -0.19 3.04 -1.26 -1.28 114.94 122.03 2rkb s ASN 138 Ca -0.07 0.95 -0.24 0.00 0.04 0.00 0.00 52.86 53.54 2rkb s ASN 138 Cb -0.11 -2.37 0.02 0.00 -1.54 0.00 0.00 41.25 37.25 2rkb s ASN 138 CO 0.01 -0.25 0.83 -0.69 -3.04 0.00 0.00 177.10 173.96 2rkb s VAL 139 N 1.68 4.64 0.18 -5.21 1.01 0.14 -4.95 120.40 117.89 2rkb s VAL 139 Ca 0.32 0.77 -0.30 0.00 0.00 0.00 0.00 61.98 62.77 2rkb s VAL 139 Cb -0.16 -4.30 -0.08 0.00 0.00 0.00 0.00 36.38 31.84 2rkb s VAL 139 CO 0.12 -0.61 0.94 -2.16 0.00 0.00 0.00 175.10 173.39 2rkb s PRO 140 N 3.34 4.78 0.39 2.72 0.04 -1.26 -4.56 135.00 140.45 2rkb s PRO 140 Ca 0.33 1.46 0.17 0.00 0.04 0.00 0.00 61.00 63.00 2rkb s PRO 140 Cb -0.12 -3.32 0.82 0.00 0.04 0.00 0.00 34.50 31.92 2rkb s PRO 140 CO 0.21 0.40 1.83 -1.00 0.04 0.00 0.00 177.00 178.48 2rkb h PRO 141 N 4.74 0.00 0.00 0.56 0.13 -1.96 -3.44 132.00 132.04 2rkb h PRO 141 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 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 0.34 0.00 1.97 -0.23 0.00 0.00 178.00 180.78 2rkb n PHE 142 N -3.85 0.00 -2.75 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 55.14 2rkb n PHE 142 Cb 0.41 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.27 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 -1.20 6.80 -0.29 5.98 -1.08 -1.26 -4.22 116.67 121.39 2rkb s ASP 143 Ca 0.00 -2.32 -0.19 0.00 -0.52 0.00 0.00 52.55 49.52 2rkb s ASP 143 Cb 0.00 -2.49 0.18 0.00 -1.46 0.00 0.00 42.92 39.15 2rkb s ASP 143 CO 0.00 -1.10 1.21 -2.28 0.52 0.00 0.00 175.17 173.52 2rkb s HIS 144 N 3.34 -0.22 0.28 -5.34 2.46 -1.26 -4.97 115.29 109.58 2rkb s HIS 144 Ca 0.45 0.47 0.01 0.00 0.47 0.00 0.00 55.06 56.46 2rkb s HIS 144 Cb -0.00 0.24 0.66 0.00 -0.13 0.00 0.00 32.58 33.35 2rkb s HIS 144 CO -0.01 -0.11 1.67 -1.35 -2.47 0.00 0.00 174.74 172.47 2rkb h PRO 145 N 4.83 0.28 -0.56 2.88 0.11 -2.00 0.79 132.00 138.33 2rkb h PRO 145 Ca -0.27 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 2rkb h PRO 145 Cb 1.18 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 2rkb h PRO 145 CO 0.20 0.18 0.18 -0.07 -0.21 0.00 0.00 178.00 178.28 2rkb h LEU 146 N 0.29 0.77 -0.01 2.35 3.38 -1.96 0.16 115.31 120.29 2rkb h LEU 146 Ca 0.53 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.38 2rkb h LEU 146 Cb 1.01 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 2rkb h LEU 146 CO -0.58 0.73 0.00 0.40 0.09 0.00 0.00 178.44 179.08 2rkb h ILE 147 N 0.82 1.10 -0.93 1.22 1.08 -1.04 -0.99 117.51 118.77 2rkb h ILE 147 Ca 0.19 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 2rkb h ILE 147 Cb 0.24 1.30 -0.05 0.00 -3.07 0.00 0.00 36.82 35.24 2rkb h ILE 147 CO -0.01 0.08 0.59 -0.50 -0.69 0.00 0.00 178.15 177.63 2rkb h TRP 148 N -0.12 1.20 -0.57 1.37 6.55 -1.08 0.77 115.95 124.07 2rkb h TRP 148 Ca 0.00 0.01 -0.01 0.00 0.95 0.00 0.00 58.89 59.85 2rkb h TRP 148 Cb 0.13 -0.40 -0.03 0.00 -0.86 0.00 0.00 29.16 28.00 2rkb h TRP 148 CO -0.03 0.77 0.33 -0.22 -1.05 0.00 0.00 178.44 178.24 2rkb h LYS 149 N 1.27 0.78 0.27 0.49 3.11 -0.70 0.19 116.57 121.98 2rkb h LYS 149 Ca 0.34 -0.08 -0.01 0.00 -2.81 0.00 0.00 60.65 58.09 2rkb h LYS 149 Cb -0.11 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 30.97 2rkb h LYS 149 CO -0.07 0.57 -0.13 0.78 -2.81 0.00 0.00 179.45 177.80 2rkb h GLY 150 N 0.76 -0.37 0.52 5.01 0.00 -0.31 -2.73 103.07 105.96 2rkb h GLY 150 Ca 0.20 0.14 0.11 0.00 0.00 0.00 0.00 47.33 47.78 2rkb h GLY 150 CO -0.04 -0.14 0.62 0.45 0.00 0.00 0.00 176.54 177.43 2rkb h HIS 151 N -0.45 1.12 -1.52 5.60 3.86 -0.58 -1.51 115.15 121.67 2rkb h HIS 151 Ca -0.04 0.03 0.46 0.00 -1.16 0.00 0.00 60.37 59.66 2rkb h HIS 151 Cb 0.34 -0.36 -0.09 0.00 1.06 0.00 0.00 27.41 28.36 2rkb h HIS 151 CO -0.03 0.47 1.06 0.00 0.86 0.00 0.00 177.93 180.28 2rkb h ALA 152 N 1.51 3.23 -0.86 2.45 0.00 -0.29 0.37 119.26 125.66 2rkb h ALA 152 Ca 0.47 0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.63 2rkb h ALA 152 Cb 0.42 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2rkb h ALA 152 CO -0.25 -1.75 0.61 0.66 0.00 0.00 0.00 179.25 178.52 2rkb h SER 153 N 0.05 0.07 -0.61 0.00 4.64 -1.33 -0.18 113.55 116.19 2rkb h SER 153 Ca 0.80 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 62.12 2rkb h SER 153 Cb 2.90 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 64.96 2rkb h SER 153 CO -0.17 0.03 0.38 0.25 -0.87 0.00 0.00 176.83 176.45 2rkb h LEU 154 N 0.07 0.72 -0.85 5.97 6.46 -0.46 -1.81 115.31 125.40 2rkb h LEU 154 Ca 0.42 -0.05 -0.08 0.00 -0.12 0.00 0.00 57.88 58.05 2rkb h LEU 154 Cb 1.56 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 41.29 2rkb h LEU 154 CO -0.04 0.55 0.02 0.58 -0.62 0.00 0.00 178.44 178.94 2rkb h VAL 155 N 0.82 1.25 -0.38 1.05 2.07 -1.21 -2.01 116.25 117.84 2rkb h VAL 155 Ca 0.22 -1.03 0.05 0.00 0.82 0.00 0.00 66.70 66.77 2rkb h VAL 155 Cb -0.04 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 2rkb h VAL 155 CO -0.04 0.37 0.10 1.56 0.02 0.00 0.00 177.57 179.58 2rkb h GLN 156 N 0.82 0.23 -0.31 1.57 1.08 -1.19 0.32 115.11 117.63 2rkb h GLN 156 Ca 0.16 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.31 2rkb h GLN 156 Cb 0.46 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 2rkb h GLN 156 CO 0.02 0.15 0.04 0.93 -0.95 0.00 0.00 178.83 179.02 2rkb h GLU 157 N 0.24 0.46 -0.01 1.46 5.08 -0.99 -0.10 114.58 120.73 2rkb h GLU 157 Ca 0.18 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2rkb h GLU 157 Cb 0.19 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2rkb h GLU 157 CO -0.21 0.46 0.00 -0.07 -1.00 0.00 0.00 179.01 178.18 2rkb h LEU 158 N 0.45 0.01 -1.76 1.33 4.07 -0.51 -1.75 115.31 117.14 2rkb h LEU 158 Ca 0.10 -0.23 0.03 0.00 0.08 0.00 0.00 57.88 57.86 2rkb h LEU 158 Cb 0.23 -0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 2rkb h LEU 158 CO 0.00 0.24 0.21 0.50 -1.08 0.00 0.00 178.44 178.31 2rkb h LYS 159 N -0.22 0.31 -0.10 1.13 3.11 -0.47 0.33 116.57 120.65 2rkb h LYS 159 Ca 0.00 -0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 57.79 2rkb h LYS 159 Cb 0.24 -0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 31.39 2rkb h LYS 159 CO 0.00 0.20 -0.08 0.00 -2.81 0.00 0.00 179.45 176.77 2rkb h ALA 160 N 1.82 0.15 0.12 5.00 0.00 -0.65 -3.30 119.26 122.40 2rkb h ALA 160 Ca 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2rkb h ALA 160 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2rkb h ALA 160 CO -0.03 -0.04 -0.06 0.28 0.00 0.00 0.00 179.25 179.40 2rkb h VAL 161 N -0.15 0.00 -1.46 0.00 2.07 -0.80 -3.38 116.25 112.53 2rkb h VAL 161 Ca 0.02 -0.59 -0.61 0.00 0.82 0.00 0.00 66.70 66.33 2rkb h VAL 161 Cb 0.57 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.22 2rkb h VAL 161 CO 0.02 0.00 1.33 -0.76 0.02 0.00 0.00 177.57 178.18 2rkb s LEU 162 N -7.43 3.78 0.42 2.57 1.43 0.11 -4.82 118.68 114.74 2rkb s LEU 162 Ca -0.02 -1.48 0.26 0.00 -1.03 0.00 0.00 54.13 51.85 2rkb s LEU 162 Cb 0.00 -2.54 1.31 0.00 0.03 0.00 0.00 46.19 45.00 2rkb s LEU 162 CO 0.07 -1.45 1.67 0.08 0.23 0.00 0.00 176.35 176.96 2rkb h ARG 163 N 9.64 0.19 -6.23 1.70 -0.00 -1.76 -3.39 114.38 114.52 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 -0.11 0.00 -0.00 0.00 0.00 29.97 30.83 2rkb h ARG 163 CO 1.36 0.12 -0.63 0.95 -0.00 0.00 0.00 179.97 181.77 2rkb s THR 164 N -5.37 4.26 0.47 0.08 -4.23 -1.26 -4.95 115.64 104.63 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 -3.01 -0.09 0.00 1.34 0.00 0.00 72.50 71.02 2rkb s THR 164 CO 0.81 0.19 0.98 -2.65 -0.54 0.00 0.00 174.62 173.41 2rkb n PRO 165 N 0.73 1.23 -2.35 3.99 -0.02 -1.26 -5.00 135.00 132.32 2rkb n PRO 165 Ca -0.11 0.45 -0.28 0.00 -2.02 0.00 0.00 63.50 61.54 2rkb n PRO 165 Cb 0.52 -2.07 0.02 0.00 -0.02 0.00 0.00 33.50 31.95 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 -2.19 3.21 0.33 0.52 0.04 -1.26 -4.91 135.00 130.75 2rkb s PRO 166 Ca 0.66 0.21 0.07 0.00 0.04 0.00 0.00 61.00 61.99 2rkb s PRO 166 Cb -0.52 -2.25 0.58 0.00 0.04 0.00 0.00 34.50 32.35 2rkb s PRO 166 CO 0.55 -0.55 1.79 0.78 0.04 0.00 0.00 177.00 179.61 2rkb h GLY 167 N -0.11 0.28 -2.83 0.56 0.00 -0.22 -3.46 103.07 97.28 2rkb h GLY 167 Ca -0.46 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 46.68 2rkb h GLY 167 CO 0.61 0.20 0.27 0.00 0.00 0.00 0.00 176.54 177.62 2rkb s ALA 168 N -4.41 -1.57 -0.06 3.60 0.00 -1.18 -4.29 121.76 113.85 2rkb s ALA 168 Ca -0.05 0.40 0.03 0.00 0.00 0.00 0.00 51.96 52.34 2rkb s ALA 168 Cb 0.14 0.80 0.01 0.00 0.00 0.00 0.00 23.12 24.07 2rkb s ALA 168 CO 0.76 -0.82 -0.13 -1.17 0.00 0.00 0.00 175.76 174.40 2rkb s LEU 169 N -2.75 1.72 -0.15 0.00 2.96 -0.32 -0.96 118.68 119.18 2rkb s LEU 169 Ca 0.04 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 2rkb s LEU 169 Cb -0.02 -0.83 0.01 0.00 0.50 0.00 0.00 46.19 45.85 2rkb s LEU 169 CO -0.08 0.06 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.14 2rkb s VAL 170 N 0.48 2.35 0.07 1.68 1.01 0.14 -0.34 120.40 125.79 2rkb s VAL 170 Ca -0.11 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 60.94 2rkb s VAL 170 Cb -0.14 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 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 0.88 1.87 0.53 3.92 -0.00 -0.94 -0.52 118.68 124.41 2rkb s LEU 171 Ca -0.05 -0.78 -0.01 0.00 -0.00 0.00 0.00 54.13 53.29 2rkb s LEU 171 Cb -0.15 0.67 0.01 0.00 -0.00 0.00 0.00 46.19 46.72 2rkb s LEU 171 CO -0.02 -0.66 0.78 0.00 -0.00 0.00 0.00 176.35 176.45 2rkb s ALA 172 N -3.77 3.64 -0.10 1.48 0.00 -1.26 -0.29 121.76 121.46 2rkb s ALA 172 Ca 0.05 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 2rkb s ALA 172 Cb 0.06 -2.27 0.03 0.00 0.00 0.00 0.00 23.12 20.93 2rkb s ALA 172 CO -0.10 -0.65 -0.03 0.08 0.00 0.00 0.00 175.76 175.06 2rkb s VAL 173 N -2.77 0.70 0.00 0.00 1.01 0.01 -4.73 120.40 114.63 2rkb s VAL 173 Ca 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2rkb s VAL 173 Cb -0.10 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.47 2rkb s VAL 173 CO 0.40 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.41 2rkb n GLY 174 N 5.04 -0.31 0.16 4.51 0.00 -1.26 -4.78 105.19 108.55 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 2.49 -0.11 0.00 -0.02 0.00 -1.26 -4.10 105.19 102.20 2rkb n GLY 175 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 1.11 0.80 0.33 -0.02 0.00 -1.26 0.74 105.19 106.88 2rkb n GLY 176 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.76 1.30 -0.02 0.00 -1.92 -0.17 103.07 101.50 2rkb h GLY 177 Ca 0.00 0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.66 2rkb h GLY 177 CO 0.00 -0.28 0.47 -2.00 0.00 0.00 0.00 176.54 174.73 2rkb h LEU 178 N -0.71 0.82 0.91 3.11 5.85 -1.90 -0.68 115.31 122.72 2rkb h LEU 178 Ca -0.05 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 2rkb h LEU 178 Cb 0.59 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.43 2rkb h LEU 178 CO 0.04 0.59 -0.44 0.25 -0.34 0.00 0.00 178.44 178.54 2rkb h LEU 179 N 0.97 -1.04 -1.50 2.25 6.46 -1.76 -0.29 115.31 120.40 2rkb h LEU 179 Ca 0.26 0.03 0.17 0.00 -0.12 0.00 0.00 57.88 58.23 2rkb h LEU 179 Cb -0.11 0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 40.03 2rkb h LEU 179 CO -0.06 -0.70 0.55 0.00 -0.62 0.00 0.00 178.44 177.62 2rkb h ALA 180 N -1.28 2.10 0.08 1.25 0.00 -0.88 0.38 119.26 120.91 2rkb h ALA 180 Ca -0.13 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2rkb h ALA 180 Cb 0.94 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2rkb h ALA 180 CO 0.21 -0.35 -0.04 0.78 0.00 0.00 0.00 179.25 179.85 2rkb h GLY 181 N 0.46 -0.11 1.49 0.00 0.00 -0.78 0.16 103.07 104.29 2rkb h GLY 181 Ca 0.42 0.04 -0.11 0.00 0.00 0.00 0.00 47.33 47.69 2rkb h GLY 181 CO -0.16 -0.04 -0.26 -0.39 0.00 0.00 0.00 176.54 175.69 2rkb h VAL 182 N -0.40 1.27 -0.63 4.60 -1.51 -0.17 0.30 116.25 119.72 2rkb h VAL 182 Ca -0.01 -1.33 -0.00 0.00 -1.23 0.00 0.00 66.70 64.12 2rkb h VAL 182 Cb 0.35 1.33 -0.03 0.00 -2.13 0.00 0.00 31.29 30.81 2rkb h VAL 182 CO 0.02 0.43 0.39 0.58 -1.23 0.00 0.00 177.57 177.75 2rkb h VAL 183 N 0.51 1.18 0.33 7.19 2.07 -0.93 1.02 116.25 127.63 2rkb h VAL 183 Ca 0.07 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 2rkb h VAL 183 Cb 0.72 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2rkb h VAL 183 CO 0.06 0.18 -0.17 0.00 0.02 0.00 0.00 177.57 177.66 2rkb h ALA 184 N 1.20 -0.46 -0.44 1.67 0.00 -0.28 -1.00 119.26 119.96 2rkb h ALA 184 Ca 0.23 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.10 2rkb h ALA 184 Cb -0.04 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2rkb h ALA 184 CO -0.04 -0.76 0.13 0.78 0.00 0.00 0.00 179.25 179.36 2rkb h GLY 185 N -0.46 0.55 0.56 0.00 0.00 0.36 0.03 103.07 104.12 2rkb h GLY 185 Ca -0.04 -0.06 0.06 0.00 0.00 0.00 0.00 47.33 47.28 2rkb h GLY 185 CO 0.07 -0.00 0.10 1.41 0.00 0.00 0.00 176.54 178.11 2rkb h LEU 186 N 0.28 0.05 -0.55 3.11 3.38 0.13 -0.05 115.31 121.67 2rkb h LEU 186 Ca 0.21 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.28 2rkb h LEU 186 Cb 0.22 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 2rkb h LEU 186 CO -0.23 0.07 0.28 -0.07 0.09 0.00 0.00 178.44 178.58 2rkb h LEU 187 N 0.23 0.41 -0.34 1.67 3.38 -0.40 0.27 115.31 120.53 2rkb h LEU 187 Ca 0.19 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.22 2rkb h LEU 187 Cb 0.21 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2rkb h LEU 187 CO -0.23 0.28 0.12 -0.33 0.09 0.00 0.00 178.44 178.37 2rkb h GLU 188 N 0.54 0.26 -0.16 1.13 5.08 0.38 -2.71 114.58 119.10 2rkb h GLU 188 Ca 0.24 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2rkb h GLU 188 Cb 0.15 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2rkb h GLU 188 CO -0.17 0.17 0.00 1.33 -1.00 0.00 0.00 179.01 179.34 2rkb n VAL 189 N -5.02 0.21 -2.28 3.13 0.24 -0.17 -4.93 118.33 109.50 2rkb n VAL 189 Ca 0.01 -0.34 -0.06 0.00 -2.04 0.00 0.00 64.34 61.90 2rkb n VAL 189 Cb 0.12 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 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 1.12 0.23 1.23 7.63 0.00 0.11 -4.95 105.19 110.56 2rkb n GLY 190 Ca 0.16 -0.59 -0.06 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.81 1.19 0.23 1.61 7.02 0.71 -4.76 117.44 119.63 2rkb n TRP 191 Ca -0.05 -1.66 0.08 0.00 -1.02 0.00 0.00 57.50 54.86 2rkb n TRP 191 Cb 0.54 -0.51 0.44 0.00 -2.42 0.00 0.00 31.31 29.36 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 1.03 0.00 -0.02 -0.99 7.50 -1.89 -0.96 115.11 119.78 2rkb h GLN 192 Ca 0.24 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.39 2rkb h GLN 192 Cb 1.68 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.21 2rkb h GLN 192 CO 0.43 0.00 -0.21 0.72 -1.50 0.00 0.00 178.83 178.26 2rkb n HIS 193 N -2.32 0.00 -2.25 2.96 8.25 -1.26 -4.61 115.22 115.99 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 31.50 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 -2.25 3.98 0.52 1.59 1.01 -0.37 -4.91 120.40 119.98 2rkb s VAL 194 Ca 0.25 1.19 -0.21 0.00 0.00 0.00 0.00 61.98 63.21 2rkb s VAL 194 Cb 0.19 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.74 2rkb s VAL 194 CO 0.44 -0.10 1.18 -2.16 0.00 0.00 0.00 175.10 174.45 2rkb s PRO 195 N 3.72 3.45 -0.12 2.72 0.04 -1.26 -4.65 135.00 138.90 2rkb s PRO 195 Ca 0.63 1.78 0.02 0.00 0.04 0.00 0.00 61.00 63.46 2rkb s PRO 195 Cb -0.27 -2.19 -0.01 0.00 0.04 0.00 0.00 34.50 32.08 2rkb s PRO 195 CO 0.21 -0.81 -0.19 0.42 0.04 0.00 0.00 177.00 176.67 2rkb s ILE 196 N -1.60 2.50 -0.46 0.56 1.01 0.57 -1.17 121.20 122.61 2rkb s ILE 196 Ca 0.69 -0.86 -0.15 0.00 0.00 0.00 0.00 60.65 60.34 2rkb s ILE 196 Cb -0.28 -2.01 0.06 0.00 0.01 0.00 0.00 42.46 40.24 2rkb s ILE 196 CO 0.33 0.54 0.37 -0.63 0.00 0.00 0.00 174.94 175.55 2rkb s ILE 197 N 0.40 5.17 -0.46 2.92 1.09 0.53 0.78 121.20 131.63 2rkb s ILE 197 Ca -0.14 -1.00 -0.22 0.00 -1.10 0.00 0.00 60.65 58.19 2rkb s ILE 197 Cb -0.17 -4.05 0.03 0.00 -1.06 0.00 0.00 42.46 37.21 2rkb s ILE 197 CO 0.07 -0.52 0.73 0.00 -0.10 0.00 0.00 174.94 175.12 2rkb s ALA 198 N 1.63 3.31 0.14 9.38 0.00 0.13 -2.23 121.76 134.12 2rkb s ALA 198 Ca 0.04 -1.19 -0.15 0.00 0.00 0.00 0.00 51.96 50.65 2rkb s ALA 198 Cb -0.23 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 19.40 2rkb s ALA 198 CO 0.07 -1.93 0.56 -1.64 0.00 0.00 0.00 175.76 172.82 2rkb s MET 199 N 3.10 4.02 0.06 0.00 -1.94 0.60 -0.94 119.30 124.20 2rkb s MET 199 Ca 0.25 0.55 -0.15 0.00 -1.71 0.00 0.00 55.69 54.63 2rkb s MET 199 Cb -0.14 -2.97 0.02 0.00 2.01 0.00 0.00 34.83 33.76 2rkb s MET 199 CO 0.20 0.50 0.34 -1.21 -0.01 0.00 0.00 175.02 174.83 2rkb s GLU 200 N -1.84 0.87 -0.02 2.03 2.02 0.18 -0.81 118.70 121.13 2rkb s GLU 200 Ca 0.37 -0.52 -0.01 0.00 0.02 0.00 0.00 54.97 54.83 2rkb s GLU 200 Cb -0.16 0.38 -0.04 0.00 0.10 0.00 0.00 34.13 34.42 2rkb s GLU 200 CO 0.19 -0.29 0.08 0.95 0.02 0.00 0.00 175.26 176.21 2rkb s THR 201 N -2.75 4.78 0.03 3.63 -4.23 -1.26 0.02 115.64 115.87 2rkb s THR 201 Ca -0.04 -0.33 -0.30 0.00 -1.18 0.00 0.00 61.69 59.84 2rkb s THR 201 Cb -0.00 -3.16 -0.08 0.00 1.34 0.00 0.00 72.50 70.59 2rkb s THR 201 CO -0.05 0.40 1.82 -2.28 -0.54 0.00 0.00 174.62 173.97 2rkb s HIS 202 N -1.16 1.76 0.00 3.99 2.46 0.56 -0.95 115.29 121.95 2rkb s HIS 202 Ca 0.21 -0.11 0.00 0.00 0.47 0.00 0.00 55.06 55.63 2rkb s HIS 202 Cb -0.12 -4.11 0.00 0.00 -0.13 0.00 0.00 32.58 28.22 2rkb s HIS 202 CO 0.12 -4.78 0.00 0.41 -2.47 0.00 0.00 174.74 168.02 2rkb n GLY 203 N 4.31 1.17 2.73 1.59 0.00 -1.26 -4.23 105.19 109.49 2rkb n GLY 203 Ca 0.18 0.00 -0.03 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 -0.53 2.62 -1.77 4.61 0.00 -0.13 -1.32 120.51 123.99 2rkb n ALA 204 Ca 0.00 -1.85 -0.34 0.00 0.00 0.00 0.00 53.44 51.25 2rkb n ALA 204 Cb 0.00 -0.88 0.05 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.94 3.10 -0.32 0.00 -0.00 -1.07 -4.22 115.22 111.77 2rkb n HIS 205 Ca -0.05 -2.69 0.05 0.00 -0.00 0.00 0.00 57.72 55.03 2rkb n HIS 205 Cb 0.84 -1.04 0.24 0.00 -0.00 0.00 0.00 29.99 30.03 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 -0.34 -0.28 0.00 3.57 -1.86 -0.83 116.94 118.21 2rkb h PHE 207 Ca 0.42 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.94 2rkb h PHE 207 Cb 0.28 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 2rkb h PHE 207 CO -0.00 -0.14 0.11 -0.97 -2.23 0.00 0.00 178.31 175.09 2rkb h ASN 208 N -0.48 0.15 -0.66 0.41 -1.24 -1.87 0.08 115.58 111.97 2rkb h ASN 208 Ca -0.04 0.02 0.13 0.00 0.71 0.00 0.00 56.30 57.12 2rkb h ASN 208 Cb 0.36 -0.00 -0.09 0.00 0.73 0.00 0.00 38.32 39.31 2rkb h ASN 208 CO 0.06 0.12 0.17 0.00 -1.29 0.00 0.00 177.43 176.49 2rkb h ALA 209 N 1.16 0.83 -0.04 1.57 0.00 -0.89 0.23 119.26 122.11 2rkb h ALA 209 Ca 0.12 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2rkb h ALA 209 Cb 0.07 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2rkb h ALA 209 CO -0.10 -0.30 0.02 0.00 0.00 0.00 0.00 179.25 178.87 2rkb h ALA 210 N 1.52 0.06 -0.23 0.00 0.00 -0.46 0.11 119.26 120.26 2rkb h ALA 210 Ca 0.36 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.23 2rkb h ALA 210 Cb 0.55 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 2rkb h ALA 210 CO -0.43 -0.35 -0.22 0.82 0.00 0.00 0.00 179.25 179.07 2rkb h ILE 211 N -0.11 0.43 -0.04 0.00 1.08 0.07 0.39 117.51 119.34 2rkb h ILE 211 Ca 0.01 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.51 2rkb h ILE 211 Cb 0.19 0.43 -0.03 0.00 -3.07 0.00 0.00 36.82 34.34 2rkb h ILE 211 CO -0.00 0.00 -0.14 0.74 -0.69 0.00 0.00 178.15 178.06 2rkb h THR 212 N -0.23 0.65 0.00 -0.27 2.02 -0.41 -1.46 112.91 113.21 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 0.43 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 2rkb h THR 212 CO -0.36 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.53 2rkb n ALA 213 N -2.46 1.74 -1.64 6.16 0.00 0.38 -4.87 120.51 119.81 2rkb n ALA 213 Ca -0.05 -0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 2rkb n ALA 213 Cb 0.19 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.29 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 0.17 0.93 3.57 0.00 0.00 0.13 -4.95 105.19 105.04 2rkb n GLY 214 Ca 0.03 -0.39 -0.05 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.57 0.51 0.33 1.61 -2.85 -0.85 -5.02 119.74 109.90 2rkb s LYS 215 Ca 0.00 -0.20 -0.28 0.00 -1.00 0.00 0.00 55.97 54.49 2rkb s LYS 215 Cb 0.00 0.23 -0.12 0.00 -2.06 0.00 0.00 37.83 35.87 2rkb s LYS 215 CO 0.00 -0.22 1.30 1.28 0.10 0.00 0.00 175.35 177.80 2rkb n LEU 216 N -0.18 3.47 -4.18 2.77 4.77 -1.26 -4.34 117.00 118.05 2rkb n LEU 216 Ca -0.03 1.20 -0.15 0.00 -0.03 0.00 0.00 56.01 57.00 2rkb n LEU 216 Cb 0.60 -1.48 -0.11 0.00 -2.33 0.00 0.00 43.42 40.10 2rkb n LEU 216 CO 0.10 -0.50 -0.42 -0.69 -1.33 0.00 0.00 177.39 174.54 2rkb s VAL 217 N -0.99 0.98 -0.20 4.08 1.01 -1.26 -4.97 120.40 119.05 2rkb s VAL 217 Ca 0.57 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.91 2rkb s VAL 217 Cb -0.58 -1.37 0.05 0.00 0.00 0.00 0.00 36.38 34.47 2rkb s VAL 217 CO 0.61 -0.54 -0.08 -0.89 0.00 0.00 0.00 175.10 174.20 2rkb s THR 218 N -2.40 1.46 0.22 3.92 2.01 -1.26 -4.28 115.64 115.32 2rkb s THR 218 Ca 0.06 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 60.81 2rkb s THR 218 Cb -0.03 -1.61 -0.10 0.00 0.01 0.00 0.00 72.50 70.77 2rkb s THR 218 CO 0.00 0.10 1.46 -0.76 -0.69 0.00 0.00 174.62 174.73 2rkb s LEU 219 N 1.47 4.38 0.28 4.42 1.02 0.46 -4.89 118.68 125.82 2rkb s LEU 219 Ca -0.02 2.63 0.01 0.00 0.02 0.00 0.00 54.13 56.77 2rkb s LEU 219 Cb -0.16 -3.62 0.54 0.00 0.02 0.00 0.00 46.19 42.97 2rkb s LEU 219 CO -0.08 -0.72 1.85 1.55 0.02 0.00 0.00 176.35 178.97 2rkb h PRO 220 N 5.48 0.99 -1.90 1.29 0.13 -1.99 -3.45 132.00 132.55 2rkb h PRO 220 Ca -0.45 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2rkb h PRO 220 Cb 1.21 -0.22 -0.20 0.00 0.13 0.00 0.00 31.00 31.92 2rkb h PRO 220 CO 0.81 0.66 0.34 0.16 -0.23 0.00 0.00 178.00 179.73 2rkb s ASP 221 N -5.74 -0.53 -0.28 1.44 1.47 -1.26 -5.13 116.67 106.63 2rkb s ASP 221 Ca -0.12 0.53 -0.22 0.00 1.18 0.00 0.00 52.55 53.92 2rkb s ASP 221 Cb 0.22 0.45 -0.01 0.00 -0.34 0.00 0.00 42.92 43.24 2rkb s ASP 221 CO 0.81 -0.53 0.72 -0.63 0.68 0.00 0.00 175.17 176.22 2rkb s ILE 222 N -1.39 4.88 -0.38 2.11 -1.09 -1.26 -4.90 121.20 119.17 2rkb s ILE 222 Ca -0.06 1.18 0.16 0.00 -2.23 0.00 0.00 60.65 59.71 2rkb s ILE 222 Cb -0.00 -4.05 -0.22 0.00 -1.58 0.00 0.00 42.46 36.60 2rkb s ILE 222 CO 0.05 -0.12 0.52 0.35 -1.23 0.00 0.00 174.94 174.51 2rkb n THR 223 N 5.36 0.00 -2.12 2.92 -2.24 -0.44 -5.00 114.28 112.77 2rkb n THR 223 Ca 0.02 -0.26 -0.36 0.00 -2.27 0.00 0.00 64.05 61.19 2rkb n THR 223 Cb 0.48 0.54 0.02 0.00 -2.10 0.00 0.00 70.33 69.27 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 -3.26 5.50 0.48 3.42 0.15 -1.06 -4.92 113.70 114.01 2rkb s SER 224 Ca -0.00 2.33 0.27 0.00 0.70 0.00 0.00 55.95 59.25 2rkb s SER 224 Cb 0.11 -2.60 0.94 0.00 -1.71 0.00 0.00 66.02 62.77 2rkb s SER 224 CO 0.68 -1.38 1.83 0.58 1.20 0.00 0.00 173.24 176.15 2rkb h VAL 225 N 1.15 0.25 -0.01 4.45 2.07 -1.93 -3.37 116.25 118.86 2rkb h VAL 225 Ca -0.50 -0.92 -0.71 0.00 0.82 0.00 0.00 66.70 65.39 2rkb h VAL 225 Cb 1.28 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 32.76 2rkb h VAL 225 CO 0.56 0.11 3.09 0.00 0.02 0.00 0.00 177.57 181.35 2rkb n ALA 226 N -2.15 5.42 -0.33 1.67 0.00 -1.26 -4.80 120.51 119.06 2rkb n ALA 226 Ca 0.01 -3.85 0.22 0.00 0.00 0.00 0.00 53.44 49.81 2rkb n ALA 226 Cb 0.42 -3.55 0.43 0.00 0.00 0.00 0.00 19.45 16.76 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 6.11 0.25 0.00 0.00 1.79 -1.99 0.75 116.57 123.49 2rkb h LYS 227 Ca 0.56 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.02 2rkb h LYS 227 Cb 0.65 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 2rkb h LYS 227 CO 1.89 0.17 0.00 0.43 -1.08 0.00 0.00 179.45 180.85 2rkb n SER 228 N -5.13 0.17 -0.74 0.86 7.64 -1.26 -0.35 113.62 114.81 2rkb n SER 228 Ca 0.30 0.58 0.07 0.00 1.01 0.00 0.00 58.87 60.82 2rkb n SER 228 Cb 0.93 -0.60 0.15 0.00 -1.01 0.00 0.00 64.21 63.68 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 -1.72 2.82 -0.36 -3.43 4.77 0.26 -4.59 117.00 114.74 2rkb n LEU 229 Ca -0.00 -1.60 0.00 0.00 -0.03 0.00 0.00 56.01 54.37 2rkb n LEU 229 Cb 0.02 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2rkb n LEU 229 CO 0.03 0.64 0.13 0.61 -1.33 0.00 0.00 177.39 177.48 2rkb n GLY 230 N 0.83 0.32 3.67 -0.72 0.00 0.53 -4.60 105.19 105.22 2rkb n GLY 230 Ca 0.13 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 -1.28 3.64 0.27 4.61 0.00 -1.26 -4.84 121.76 122.90 2rkb s ALA 231 Ca 0.00 1.25 0.28 0.00 0.00 0.00 0.00 51.96 53.49 2rkb s ALA 231 Cb 0.00 -3.79 1.27 0.00 0.00 0.00 0.00 23.12 20.60 2rkb s ALA 231 CO 0.00 -1.39 1.97 0.87 0.00 0.00 0.00 175.76 177.21 2rkb h LYS 232 N 9.62 0.00 -3.56 0.00 1.57 -1.88 -3.40 116.57 118.92 2rkb h LYS 232 Ca -0.46 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 57.99 2rkb h LYS 232 Cb 1.22 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.17 2rkb h LYS 232 CO 0.94 0.14 -0.74 0.99 -0.57 0.00 0.00 179.45 180.22 2rkb s THR 233 N -3.89 0.04 0.54 -0.16 2.01 -1.26 -0.40 115.64 112.52 2rkb s THR 233 Ca -0.01 0.21 -0.19 0.00 0.31 0.00 0.00 61.69 62.01 2rkb s THR 233 Cb 0.11 -0.19 -0.06 0.00 0.01 0.00 0.00 72.50 72.38 2rkb s THR 233 CO 0.59 0.14 1.08 0.54 -0.69 0.00 0.00 174.62 176.27 2rkb s VAL 234 N 1.33 3.55 0.44 3.82 0.11 -1.26 -4.86 120.40 123.53 2rkb s VAL 234 Ca -0.06 0.90 -0.25 0.00 -2.93 0.00 0.00 61.98 59.64 2rkb s VAL 234 Cb -0.13 -3.36 -0.08 0.00 -1.53 0.00 0.00 36.38 31.28 2rkb s VAL 234 CO -0.03 -0.28 1.34 0.00 -3.33 0.00 0.00 175.10 172.81 2rkb s ALA 235 N -2.04 3.18 0.23 1.54 0.00 0.23 -4.91 121.76 119.99 2rkb s ALA 235 Ca 0.68 1.30 -0.07 0.00 0.00 0.00 0.00 51.96 53.87 2rkb s ALA 235 Cb -0.19 -3.52 0.32 0.00 0.00 0.00 0.00 23.12 19.73 2rkb s ALA 235 CO 0.27 -1.00 1.80 0.00 0.00 0.00 0.00 175.76 176.84 2rkb h ALA 236 N 2.38 1.02 -0.59 0.00 0.00 -1.93 -1.01 119.26 119.12 2rkb h ALA 236 Ca -0.50 0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.55 2rkb h ALA 236 Cb 1.26 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2rkb h ALA 236 CO 0.61 0.05 0.40 -0.09 0.00 0.00 0.00 179.25 180.22 2rkb h ARG 237 N 0.71 0.35 -0.10 0.00 9.65 -1.95 -1.31 114.38 121.73 2rkb h ARG 237 Ca 0.35 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.21 2rkb h ARG 237 Cb 0.29 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.79 2rkb h ARG 237 CO -0.23 0.23 0.06 0.00 2.80 0.00 0.00 179.97 182.83 2rkb h ALA 238 N 1.70 0.13 -0.48 2.80 0.00 -1.47 0.21 119.26 122.15 2rkb h ALA 238 Ca 0.28 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 2rkb h ALA 238 Cb 0.61 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2rkb h ALA 238 CO -0.07 -0.35 0.11 1.25 0.00 0.00 0.00 179.25 180.19 2rkb h LEU 239 N 0.08 0.67 -0.90 0.00 5.85 -1.24 -2.17 115.31 117.60 2rkb h LEU 239 Ca 0.04 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 2rkb h LEU 239 Cb 0.05 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2rkb h LEU 239 CO -0.01 0.67 -0.28 -0.08 -0.34 0.00 0.00 178.44 178.40 2rkb h GLU 240 N 0.70 0.47 0.00 1.25 4.81 -0.68 -2.67 114.58 118.46 2rkb h GLU 240 Ca 0.16 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2rkb h GLU 240 Cb 0.28 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2rkb h GLU 240 CO -0.00 0.71 0.04 0.00 -0.73 0.00 0.00 179.01 179.03 2rkb h MET 242 N 0.00 0.00 0.00 0.00 2.86 -1.52 -0.38 114.93 115.89 2rkb h MET 242 Ca 0.00 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 2rkb h MET 242 Cb 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2rkb h MET 242 CO 0.00 0.01 -1.29 1.04 1.06 0.00 0.00 176.91 177.73 2rkb n GLN 243 N -3.34 0.62 -0.05 1.72 1.13 0.18 -4.35 117.38 113.28 2rkb n GLN 243 Ca -0.03 0.14 -0.04 0.00 -1.94 0.00 0.00 57.00 55.14 2rkb n GLN 243 Cb 0.10 -1.79 -0.14 0.00 0.11 0.00 0.00 30.24 28.52 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 -2.74 1.11 -4.11 5.09 3.14 -0.50 -4.99 118.33 115.33 2rkb n VAL 244 Ca -0.05 -0.75 -0.11 0.00 -2.96 0.00 0.00 64.34 60.46 2rkb n VAL 244 Cb 0.69 -0.50 -0.11 0.00 -1.06 0.00 0.00 33.84 32.87 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 -2.69 3.70 -0.12 0.00 2.47 -1.26 -4.51 119.74 117.34 2rkb s LYS 246 Ca 0.00 0.72 0.03 0.00 -1.56 0.00 0.00 55.97 55.16 2rkb s LYS 246 Cb -0.02 -3.93 -0.00 0.00 -1.46 0.00 0.00 37.83 32.41 2rkb s LYS 246 CO -0.03 -1.41 -0.21 0.42 0.16 0.00 0.00 175.35 174.29 2rkb s ILE 247 N 4.70 2.26 -0.38 5.43 1.01 -1.26 -0.31 121.20 132.64 2rkb s ILE 247 Ca 0.52 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 60.12 2rkb s ILE 247 Cb -0.09 -1.89 0.03 0.00 0.01 0.00 0.00 42.46 40.51 2rkb s ILE 247 CO 0.31 0.55 0.22 -1.00 0.00 0.00 0.00 174.94 175.01 2rkb s HIS 248 N 0.48 3.25 -0.21 3.97 3.76 0.23 -4.95 115.29 121.81 2rkb s HIS 248 Ca -0.14 -0.95 -0.23 0.00 -0.15 0.00 0.00 55.06 53.59 2rkb s HIS 248 Cb -0.17 -2.45 -0.01 0.00 1.11 0.00 0.00 32.58 31.05 2rkb s HIS 248 CO 0.06 -0.65 0.76 0.45 -0.85 0.00 0.00 174.74 174.51 2rkb s SER 249 N 1.56 6.80 -0.03 1.40 0.15 -1.26 0.17 113.70 122.49 2rkb s SER 249 Ca 0.02 0.99 0.04 0.00 0.70 0.00 0.00 55.95 57.70 2rkb s SER 249 Cb -0.19 -2.41 -0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2rkb s SER 249 CO 0.07 -0.41 -0.14 -1.61 1.20 0.00 0.00 173.24 172.34 2rkb s GLU 250 N 2.42 1.45 -0.08 5.44 0.41 -0.12 -4.96 118.70 123.26 2rkb s GLU 250 Ca 0.33 -0.50 0.03 0.00 -0.41 0.00 0.00 54.97 54.42 2rkb s GLU 250 Cb -0.16 -1.30 -0.01 0.00 -1.78 0.00 0.00 34.13 30.88 2rkb s GLU 250 CO 0.09 0.21 -0.18 0.08 -0.49 0.00 0.00 175.26 174.97 2rkb s VAL 251 N 0.05 2.64 0.19 2.63 1.01 -1.25 -0.65 120.40 125.02 2rkb s VAL 251 Ca -0.03 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.19 2rkb s VAL 251 Cb -0.10 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 2rkb s VAL 251 CO 0.01 0.56 -0.15 0.68 0.00 0.00 0.00 175.10 176.20 2rkb s VAL 252 N -0.07 1.69 0.67 2.92 -7.23 0.10 -4.86 120.40 113.62 2rkb s VAL 252 Ca -0.04 -2.13 -0.15 0.00 -1.81 0.00 0.00 61.98 57.85 2rkb s VAL 252 Cb -0.14 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.83 2rkb s VAL 252 CO 0.04 -0.56 1.11 -1.61 -0.31 0.00 0.00 175.10 173.77 2rkb s GLU 253 N -3.47 2.77 0.33 4.82 0.41 -1.26 -0.33 118.70 121.98 2rkb s GLU 253 Ca 0.20 1.37 0.03 0.00 -0.41 0.00 0.00 54.97 56.16 2rkb s GLU 253 Cb -0.02 -1.95 0.63 0.00 -1.78 0.00 0.00 34.13 31.01 2rkb s GLU 253 CO 0.06 -1.27 1.94 -0.44 -0.49 0.00 0.00 175.26 175.06 2rkb h ASP 254 N -0.05 0.79 -0.93 -0.19 3.32 -1.96 -1.08 116.42 116.32 2rkb h ASP 254 Ca -0.46 0.00 0.09 0.00 0.02 0.00 0.00 57.03 56.68 2rkb h ASP 254 Cb 1.24 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 40.56 2rkb h ASP 254 CO 0.54 0.51 0.60 0.71 -1.72 0.00 0.00 179.24 179.88 2rkb h THR 255 N 0.90 0.98 -0.16 0.35 1.35 -1.94 0.17 112.91 114.56 2rkb h THR 255 Ca 0.35 -0.33 -0.14 0.00 -0.55 0.00 0.00 66.41 65.74 2rkb h THR 255 Cb 0.22 -0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 66.57 2rkb h THR 255 CO -0.12 0.18 -0.48 -0.33 -0.25 0.00 0.00 175.52 174.51 2rkb h GLU 256 N 0.96 0.43 -0.17 4.72 5.08 -1.57 0.21 114.58 124.25 2rkb h GLU 256 Ca 0.43 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 2rkb h GLU 256 Cb 0.37 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2rkb h GLU 256 CO -0.19 0.82 -0.10 0.00 -1.00 0.00 0.00 179.01 178.54 2rkb h ALA 257 N 1.14 0.24 -0.30 3.43 0.00 -0.72 -1.53 119.26 121.53 2rkb h ALA 257 Ca 0.02 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2rkb h ALA 257 Cb 0.97 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2rkb h ALA 257 CO 0.08 0.08 -0.03 0.28 0.00 0.00 0.00 179.25 179.66 2rkb h VAL 258 N 0.04 1.27 -0.72 0.00 2.07 -0.68 -1.48 116.25 116.75 2rkb h VAL 258 Ca 0.04 -1.01 0.16 0.00 0.82 0.00 0.00 66.70 66.70 2rkb h VAL 258 Cb 0.60 1.34 -0.11 0.00 -1.52 0.00 0.00 31.29 31.60 2rkb h VAL 258 CO 0.03 0.33 0.15 -1.28 0.02 0.00 0.00 177.57 176.82 2rkb h SER 259 N 0.32 -0.03 -0.58 0.57 0.87 -0.55 0.14 113.55 114.29 2rkb h SER 259 Ca 0.08 0.15 -0.10 0.00 -1.23 0.00 0.00 61.79 60.69 2rkb h SER 259 Cb 0.49 0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 2rkb h SER 259 CO 0.02 -0.05 -0.04 0.00 -0.53 0.00 0.00 176.83 176.24 2rkb h ALA 260 N 1.60 0.79 -0.51 6.23 0.00 -0.96 -2.17 119.26 124.23 2rkb h ALA 260 Ca 0.40 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 55.06 2rkb h ALA 260 Cb 0.68 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 2rkb h ALA 260 CO -0.51 0.65 0.18 0.28 0.00 0.00 0.00 179.25 179.85 2rkb h VAL 261 N 0.94 0.83 -0.30 0.00 2.07 0.05 0.16 116.25 120.00 2rkb h VAL 261 Ca 0.16 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 2rkb h VAL 261 Cb 0.60 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2rkb h VAL 261 CO 0.04 0.07 0.18 -0.61 0.02 0.00 0.00 177.57 177.26 2rkb h GLN 262 N 0.36 0.42 -0.50 1.57 5.75 -1.02 -1.83 115.11 119.86 2rkb h GLN 262 Ca 0.24 -0.04 -0.13 0.00 -0.15 0.00 0.00 58.65 58.57 2rkb h GLN 262 Cb 0.26 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 2rkb h GLN 262 CO -0.25 0.33 -0.20 1.96 -2.65 0.00 0.00 178.83 178.03 2rkb h GLN 263 N 0.38 1.01 -0.25 1.69 4.20 -0.87 -2.13 115.11 119.14 2rkb h GLN 263 Ca 0.11 -0.42 -0.02 0.00 0.06 0.00 0.00 58.65 58.38 2rkb h GLN 263 Cb 0.03 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2rkb h GLN 263 CO -0.02 1.10 0.05 1.25 -0.67 0.00 0.00 178.83 180.54 2rkb h LEU 264 N 0.87 0.32 -0.13 1.46 7.12 -0.61 0.47 115.31 124.81 2rkb h LEU 264 Ca 0.12 -0.04 -0.03 0.00 0.13 0.00 0.00 57.88 58.06 2rkb h LEU 264 Cb 0.77 -0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 40.82 2rkb h LEU 264 CO 0.06 0.34 -0.04 0.25 -0.13 0.00 0.00 178.44 178.93 2rkb h LEU 265 N 0.35 0.25 -0.42 2.25 5.85 -0.92 0.72 115.31 123.40 2rkb h LEU 265 Ca 0.09 -0.38 -0.16 0.00 0.84 0.00 0.00 57.88 58.26 2rkb h LEU 265 Cb 0.16 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 2rkb h LEU 265 CO -0.00 0.57 -0.45 0.44 -0.34 0.00 0.00 178.44 178.66 2rkb h ASP 266 N -0.07 0.89 0.09 1.25 3.32 -0.73 0.16 116.42 121.33 2rkb h ASP 266 Ca 0.03 -0.44 -0.16 0.00 0.02 0.00 0.00 57.03 56.48 2rkb h ASP 266 Cb 0.47 -0.25 0.02 0.00 0.22 0.00 0.00 39.33 39.78 2rkb h ASP 266 CO 0.01 1.21 -0.70 0.44 -1.72 0.00 0.00 179.24 178.48 2rkb h ASP 267 N 0.66 0.46 -0.06 6.45 3.32 -0.08 -3.37 116.42 123.80 2rkb h ASP 267 Ca 0.04 -0.89 0.00 0.00 0.02 0.00 0.00 57.03 56.20 2rkb h ASP 267 Cb 1.03 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.44 2rkb h ASP 267 CO 0.10 1.31 0.00 -0.62 -1.72 0.00 0.00 179.24 178.31 2rkb n GLU 268 N -4.19 2.22 -3.85 3.56 -0.58 0.23 -4.93 120.64 113.10 2rkb n GLU 268 Ca -0.12 -2.19 -0.26 0.00 -0.42 0.00 0.00 57.16 54.17 2rkb n GLU 268 Cb 0.75 -1.35 -0.01 0.00 -0.57 0.00 0.00 31.44 30.26 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 -0.82 -0.66 -3.69 3.49 1.85 0.57 -4.95 116.66 112.45 2rkb n ARG 269 Ca 0.11 -0.11 -0.16 0.00 -1.00 0.00 0.00 57.85 56.69 2rkb n ARG 269 Cb 0.52 -1.43 -0.16 0.00 -1.05 0.00 0.00 32.46 30.33 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 -6.28 0.03 -0.28 2.89 0.23 -1.25 -5.01 119.30 109.62 2rkb s MET 270 Ca 0.21 0.46 -0.22 0.00 -1.03 0.00 0.00 55.69 55.12 2rkb s MET 270 Cb -0.12 -0.28 -0.01 0.00 -1.53 0.00 0.00 34.83 32.89 2rkb s MET 270 CO 0.60 -0.27 0.72 -1.17 -2.03 0.00 0.00 175.02 172.87 2rkb s LEU 271 N 1.92 4.09 0.34 0.18 2.96 -1.26 -3.87 118.68 123.04 2rkb s LEU 271 Ca -0.00 0.67 0.09 0.00 -0.22 0.00 0.00 54.13 54.67 2rkb s LEU 271 Cb -0.12 -2.97 -0.06 0.00 0.50 0.00 0.00 46.19 43.54 2rkb s LEU 271 CO -0.05 -0.50 -0.06 0.68 -1.32 0.00 0.00 176.35 175.10 2rkb s VAL 272 N 2.74 2.40 0.66 1.68 -7.23 -1.26 -4.91 120.40 114.48 2rkb s VAL 272 Ca 0.29 -2.12 -0.14 0.00 -1.81 0.00 0.00 61.98 58.20 2rkb s VAL 272 Cb -0.15 -2.70 -0.00 0.00 0.56 0.00 0.00 36.38 34.09 2rkb s VAL 272 CO 0.10 -0.21 1.09 -1.61 -0.31 0.00 0.00 175.10 174.17 2rkb s GLU 273 N -3.65 2.85 0.35 4.82 2.02 -0.30 -4.81 118.70 119.99 2rkb s GLU 273 Ca 0.33 1.29 0.11 0.00 0.02 0.00 0.00 54.97 56.72 2rkb s GLU 273 Cb 0.01 -1.96 0.90 0.00 0.10 0.00 0.00 34.13 33.17 2rkb s GLU 273 CO 0.18 -1.19 1.80 -1.35 0.02 0.00 0.00 175.26 174.71 2rkb h PRO 274 N -0.08 0.59 -0.98 0.39 0.11 -1.88 0.28 132.00 130.42 2rkb h PRO 274 Ca -0.46 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 65.69 2rkb h PRO 274 Cb 1.24 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.14 2rkb h PRO 274 CO 0.55 0.39 0.62 0.00 -0.21 0.00 0.00 178.00 179.35 2rkb h ALA 275 N 1.63 1.39 -0.01 -0.75 0.00 -1.91 0.14 119.26 119.75 2rkb h ALA 275 Ca 0.55 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.29 2rkb h ALA 275 Cb 1.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2rkb h ALA 275 CO -0.30 0.35 -0.74 0.00 0.00 0.00 0.00 179.25 178.56 2rkb h GLY 277 N 1.93 0.00 1.17 0.00 0.00 0.89 -0.61 103.07 106.45 2rkb h GLY 277 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 2rkb h GLY 277 CO 0.10 0.00 0.35 0.00 0.00 0.00 0.00 176.54 176.99 2rkb h ALA 278 N 1.87 1.21 0.01 3.60 0.00 -0.91 0.14 119.26 125.18 2rkb h ALA 278 Ca -0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2rkb h ALA 278 Cb 0.24 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2rkb h ALA 278 CO 0.02 0.60 -0.00 0.00 0.00 0.00 0.00 179.25 179.86 2rkb h ALA 279 N 1.32 -0.01 0.00 0.00 0.00 -1.20 -2.80 119.26 116.57 2rkb h ALA 279 Ca 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2rkb h ALA 279 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2rkb h ALA 279 CO -0.03 -0.37 0.00 -0.07 0.00 0.00 0.00 179.25 178.78 2rkb h LEU 280 N -0.28 0.00 -2.16 0.00 3.38 -1.02 -2.08 115.31 113.15 2rkb h LEU 280 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2rkb h LEU 280 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2rkb h LEU 280 CO 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.52 2rkb h ALA 281 N 2.08 1.03 -0.93 1.53 0.00 -0.44 -1.03 119.26 121.49 2rkb h ALA 281 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2rkb h ALA 281 Cb 0.33 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 2rkb h ALA 281 CO 0.00 0.02 0.57 0.00 0.00 0.00 0.00 179.25 179.84 2rkb h ALA 282 N 1.99 1.25 0.00 0.00 0.00 -1.45 0.90 119.26 121.95 2rkb h ALA 282 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2rkb h ALA 282 Cb 0.28 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2rkb h ALA 282 CO 0.00 0.65 -0.01 0.82 0.00 0.00 0.00 179.25 180.71 2rkb h ILE 283 N 1.28 0.00 -1.07 0.00 1.08 -1.42 -1.78 117.51 115.60 2rkb h ILE 283 Ca 0.34 -0.12 0.30 0.00 -0.39 0.00 0.00 64.86 64.98 2rkb h ILE 283 Cb -0.07 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 33.62 2rkb h ILE 283 CO -0.06 0.00 0.74 1.88 -0.69 0.00 0.00 178.15 180.02 2rkb h TYR 284 N -0.12 0.24 -0.33 1.37 0.99 -1.42 0.74 116.97 118.44 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 -0.07 0.00 0.00 1.00 0.00 0.00 36.73 37.67 2rkb h TYR 284 CO -0.00 0.02 0.00 0.43 -0.00 0.00 0.00 178.16 178.61 2rkb n SER 285 N -4.36 2.48 0.00 3.88 7.64 0.31 -4.94 113.62 118.63 2rkb n SER 285 Ca 0.24 -1.88 0.00 0.00 1.01 0.00 0.00 58.87 58.23 2rkb n SER 285 Cb 1.05 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 64.03 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 1.29 0.53 0.17 0.23 0.00 0.25 -4.93 105.19 102.72 2rkb n GLY 286 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.17 -1.04 0.99 -0.00 -1.55 0.98 115.31 114.52 2rkb h LEU 287 Ca 0.00 0.09 0.06 0.00 -0.00 0.00 0.00 57.88 58.03 2rkb h LEU 287 Cb 0.08 0.16 -0.06 0.00 -0.00 0.00 0.00 40.66 40.84 2rkb h LEU 287 CO 0.00 -0.05 0.64 -0.07 -0.00 0.00 0.00 178.44 178.96 2rkb h LEU 288 N 0.10 1.02 -0.18 1.67 4.07 -1.68 0.28 115.31 120.58 2rkb h LEU 288 Ca 0.19 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.13 2rkb h LEU 288 Cb 0.27 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 2rkb h LEU 288 CO -0.32 0.66 -0.00 0.03 -1.08 0.00 0.00 178.44 177.72 2rkb h ARG 289 N 1.16 0.32 -0.07 1.13 2.47 -1.55 -1.20 114.38 116.64 2rkb h ARG 289 Ca 0.42 -0.10 0.01 0.00 -1.26 0.00 0.00 59.98 59.05 2rkb h ARG 289 Cb 0.15 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 2rkb h ARG 289 CO -0.16 0.53 0.01 -0.09 0.56 0.00 0.00 179.97 180.82 2rkb h ARG 290 N 0.07 0.03 -0.74 0.04 2.43 -0.10 0.19 114.38 116.32 2rkb h ARG 290 Ca 0.05 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2rkb h ARG 290 Cb 0.39 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 2rkb h ARG 290 CO 0.01 0.02 0.48 -0.07 -1.51 0.00 0.00 179.97 178.91 2rkb h LEU 291 N 0.03 0.76 -0.34 3.80 3.38 -0.45 0.76 115.31 123.26 2rkb h LEU 291 Ca 0.03 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2rkb h LEU 291 Cb 0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2rkb h LEU 291 CO -0.05 0.52 -0.12 1.56 0.09 0.00 0.00 178.44 180.44 2rkb h GLN 292 N 0.89 0.69 -0.04 1.13 4.20 -0.47 0.29 115.11 121.80 2rkb h GLN 292 Ca 0.29 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 2rkb h GLN 292 Cb 0.07 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 2rkb h GLN 292 CO -0.09 0.87 0.02 0.00 -0.67 0.00 0.00 178.83 178.96 2rkb h ALA 293 N 0.80 0.06 0.00 3.87 0.00 0.64 -1.64 119.26 122.98 2rkb h ALA 293 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2rkb h ALA 293 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2rkb h ALA 293 CO 0.04 -0.35 0.00 0.39 0.00 0.00 0.00 179.25 179.33 2rkb n GLU 294 N -4.96 0.09 -0.56 0.00 1.02 0.25 -4.83 120.64 111.65 2rkb n GLU 294 Ca -0.07 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 2rkb n GLU 294 Cb 0.11 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 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 -1.07 0.76 0.20 0.62 0.00 -0.62 -4.93 105.19 100.15 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 -0.60 -0.50 0.31 0.00 1.43 -1.18 -4.89 118.68 113.25 2rkb s LEU 297 Ca 0.00 1.26 -0.28 0.00 -1.03 0.00 0.00 54.13 54.08 2rkb s LEU 297 Cb 0.00 2.26 -0.13 0.00 0.03 0.00 0.00 46.19 48.35 2rkb s LEU 297 CO 0.00 -0.26 1.17 -0.81 0.23 0.00 0.00 176.35 176.68 2rkb n PRO 298 N 2.58 1.76 0.10 1.29 -0.04 -1.26 -4.63 135.00 134.80 2rkb n PRO 298 Ca -0.14 0.62 0.20 0.00 -0.04 0.00 0.00 63.50 64.13 2rkb n PRO 298 Cb 0.56 -2.11 0.76 0.00 -0.04 0.00 0.00 33.50 32.66 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 2.43 0.00 -4.05 0.54 0.11 -1.96 -3.38 132.00 125.69 2rkb h PRO 299 Ca -0.43 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.25 2rkb h PRO 299 Cb 1.31 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 32.07 2rkb h PRO 299 CO 0.63 0.00 -0.78 0.45 -0.21 0.00 0.00 178.00 178.09 2rkb s SER 300 N -5.51 1.16 -0.11 -2.05 0.15 -1.26 -5.13 113.70 100.95 2rkb s SER 300 Ca -0.04 -0.15 0.02 0.00 0.70 0.00 0.00 55.95 56.47 2rkb s SER 300 Cb 0.16 -0.51 0.01 0.00 -1.71 0.00 0.00 66.02 63.98 2rkb s SER 300 CO 0.57 -0.06 -0.16 -0.76 1.20 0.00 0.00 173.24 174.03 2rkb s LEU 301 N 1.04 1.76 0.62 3.45 1.02 -1.26 -4.98 118.68 120.33 2rkb s LEU 301 Ca -0.09 -0.43 0.28 0.00 0.02 0.00 0.00 54.13 53.90 2rkb s LEU 301 Cb -0.14 -1.11 1.42 0.00 0.02 0.00 0.00 46.19 46.38 2rkb s LEU 301 CO -0.00 0.03 1.82 0.00 0.02 0.00 0.00 176.35 178.22 2rkb h THR 302 N 5.94 0.21 0.00 5.49 1.03 -1.94 -3.42 112.91 120.22 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 0.56 0.00 0.00 -1.07 0.00 0.00 68.15 68.82 2rkb h THR 302 CO 0.49 0.00 0.00 -1.54 -0.01 0.00 0.00 175.52 174.46 2rkb n SER 303 N -3.37 0.00 -3.76 0.00 3.41 -1.26 -4.68 113.62 103.96 2rkb n SER 303 Ca 0.06 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.52 2rkb n SER 303 Cb 0.65 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.45 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 -0.06 -0.25 -3.33 0.11 -0.65 0.57 120.40 114.79 2rkb s VAL 304 Ca 0.00 0.21 -0.09 0.00 -2.93 0.00 0.00 61.98 59.17 2rkb s VAL 304 Cb 0.00 -0.16 -0.04 0.00 -1.53 0.00 0.00 36.38 34.65 2rkb s VAL 304 CO 0.00 0.09 0.13 -0.69 -3.33 0.00 0.00 175.10 171.30 2rkb s VAL 305 N 1.17 4.98 -0.26 2.04 1.01 -0.13 -0.83 120.40 128.38 2rkb s VAL 305 Ca -0.09 0.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 2rkb s VAL 305 Cb -0.12 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 2rkb s VAL 305 CO -0.04 0.33 0.07 -0.69 0.00 0.00 0.00 175.10 174.76 2rkb s VAL 306 N 1.36 4.24 -0.41 2.92 1.01 0.57 0.27 120.40 130.35 2rkb s VAL 306 Ca 0.06 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.49 2rkb s VAL 306 Cb -0.15 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.24 2rkb s VAL 306 CO 0.06 0.30 1.26 -0.63 0.00 0.00 0.00 175.10 176.09 2rkb s ILE 307 N 1.60 4.12 -1.12 2.22 1.01 0.32 -1.14 121.20 128.19 2rkb s ILE 307 Ca 0.06 1.18 -0.16 0.00 0.00 0.00 0.00 60.65 61.73 2rkb s ILE 307 Cb -0.15 -4.37 0.14 0.00 0.01 0.00 0.00 42.46 38.09 2rkb s ILE 307 CO 0.03 -0.78 1.38 -0.69 0.00 0.00 0.00 174.94 174.89 2rkb s VAL 308 N 4.71 4.77 0.51 2.92 1.01 0.41 -4.75 120.40 129.97 2rkb s VAL 308 Ca 0.54 -2.12 0.28 0.00 0.00 0.00 0.00 61.98 60.68 2rkb s VAL 308 Cb -0.12 -4.92 0.46 0.00 0.00 0.00 0.00 36.38 31.80 2rkb s VAL 308 CO 0.29 -1.66 1.89 0.00 0.00 0.00 0.00 175.10 175.62 2rkb n GLY 310 N -1.67 1.84 0.00 0.00 0.00 -1.26 -3.35 105.19 100.76 2rkb n GLY 310 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 2.45 0.12 -0.02 0.00 -0.76 -1.15 105.19 105.83 2rkb n GLY 311 Ca 0.00 -1.76 -0.16 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 1.59 -3.81 1.61 3.02 -1.26 -4.53 115.26 111.88 2rkb n ASN 312 Ca 0.00 0.22 -0.41 0.00 -0.03 0.00 0.00 54.58 54.37 2rkb n ASN 312 Cb 0.00 -0.45 -0.06 0.00 -0.61 0.00 0.00 39.78 38.66 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 -3.28 2.62 -3.60 6.41 5.15 -1.26 -4.80 115.26 116.51 2rkb n ASN 313 Ca -0.29 -2.68 -0.08 0.00 -0.60 0.00 0.00 54.58 50.93 2rkb n ASN 313 Cb 1.05 -1.23 -0.05 0.00 -0.53 0.00 0.00 39.78 39.02 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 6.18 0.00 0.11 -1.44 1.10 -1.26 -4.79 121.20 121.09 2rkb s ILE 314 Ca 0.60 0.00 -0.26 0.00 -0.51 0.00 0.00 60.65 60.48 2rkb s ILE 314 Cb 0.11 -1.00 0.08 0.00 0.15 0.00 0.00 42.46 41.81 2rkb s ILE 314 CO 0.12 0.00 1.07 0.54 -2.11 0.00 0.00 174.94 174.56 2rkb s ASN 315 N -1.10 -0.11 0.16 4.50 2.20 -1.26 -4.99 114.94 114.34 2rkb s ASN 315 Ca 0.01 -0.37 -0.30 0.00 -0.94 0.00 0.00 52.86 51.27 2rkb s ASN 315 Cb -0.01 0.39 -0.05 0.00 -2.00 0.00 0.00 41.25 39.59 2rkb s ASN 315 CO -0.01 -0.74 1.54 0.28 -2.94 0.00 0.00 177.10 175.23 2rkb h SER 316 N 2.00 -2.10 -0.60 3.54 0.02 -2.02 0.10 113.55 114.50 2rkb h SER 316 Ca -0.26 0.33 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2rkb h SER 316 Cb 1.22 0.94 -0.03 0.00 0.14 0.00 0.00 62.40 64.67 2rkb h SER 316 CO 0.28 -0.24 0.39 0.03 -1.14 0.00 0.00 176.83 176.14 2rkb h ARG 317 N -0.01 0.76 -0.57 3.45 3.08 -1.99 -1.66 114.38 117.43 2rkb h ARG 317 Ca 0.17 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2rkb h ARG 317 Cb 0.43 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 2rkb h ARG 317 CO -0.93 0.50 0.36 0.93 -1.07 0.00 0.00 179.97 179.76 2rkb h GLU 318 N 0.78 0.77 -0.82 0.04 4.39 -1.57 0.30 114.58 118.47 2rkb h GLU 318 Ca 0.22 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.91 2rkb h GLU 318 Cb -0.06 -0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 28.37 2rkb h GLU 318 CO -0.06 0.54 0.52 1.25 -1.16 0.00 0.00 179.01 180.10 2rkb h LEU 319 N 0.77 0.84 -0.27 1.33 5.85 -0.47 0.14 115.31 123.50 2rkb h LEU 319 Ca 0.21 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2rkb h LEU 319 Cb -0.04 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 2rkb h LEU 319 CO -0.04 0.57 0.17 1.56 -0.34 0.00 0.00 178.44 180.36 2rkb h GLN 320 N 0.99 0.37 -0.12 1.25 1.08 -0.45 0.68 115.11 118.91 2rkb h GLN 320 Ca 0.34 -0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.55 2rkb h GLN 320 Cb 0.07 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 2rkb h GLN 320 CO -0.14 0.26 -0.12 0.00 -0.95 0.00 0.00 178.83 177.89 2rkb h ALA 321 N 1.08 -0.03 -0.15 3.87 0.00 -0.10 0.16 119.26 124.09 2rkb h ALA 321 Ca 0.10 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2rkb h ALA 321 Cb -0.02 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2rkb h ALA 321 CO -0.02 -0.57 0.01 -0.07 0.00 0.00 0.00 179.25 178.59 2rkb h LEU 322 N -0.15 -0.04 -1.26 0.00 3.38 -0.63 0.40 115.31 117.01 2rkb h LEU 322 Ca 0.09 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2rkb h LEU 322 Cb 0.27 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2rkb h LEU 322 CO -0.21 0.00 0.40 0.11 0.09 0.00 0.00 178.44 178.83 2rkb h LYS 323 N 0.06 0.91 0.23 1.13 1.57 -0.50 -0.83 116.57 119.13 2rkb h LYS 323 Ca 0.07 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2rkb h LYS 323 Cb 0.08 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2rkb h LYS 323 CO -0.11 0.64 -0.11 1.15 -0.57 0.00 0.00 179.45 180.45 2rkb h THR 324 N 0.92 0.74 -0.47 -0.16 2.02 -0.15 0.56 112.91 116.37 2rkb h THR 324 Ca 0.24 -0.91 0.14 0.00 0.77 0.00 0.00 66.41 66.65 2rkb h THR 324 Cb -0.04 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 2rkb h THR 324 CO -0.05 0.17 0.60 -0.74 0.37 0.00 0.00 175.52 175.87 2rkb h HIS 325 N -0.84 0.00 -0.18 3.16 -0.00 -0.00 0.28 115.15 117.56 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 0.06 0.00 0.00 1.28 -0.00 0.00 0.00 177.93 179.27 2rkb n LEU 326 N -3.49 2.99 -3.07 0.26 4.32 -0.34 -5.04 117.00 112.62 2rkb n LEU 326 Ca 0.09 -2.59 -0.11 0.00 -0.02 0.00 0.00 56.01 53.38 2rkb n LEU 326 Cb 0.78 -0.35 0.01 0.00 -1.62 0.00 0.00 43.42 42.24 2rkb n LEU 326 CO 0.24 0.67 0.08 0.61 -1.22 0.00 0.00 177.39 177.76 2rkb n GLY 327 N -0.44 -1.10 0.00 -0.72 0.00 0.98 -4.99 105.19 98.92 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