#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 1.38 -1.30 -1.09 -0.58 -1.26 -4.92 120.64 112.87 2rkb n GLU 12 Ca 0.00 0.50 -0.32 0.00 -0.42 0.00 0.00 57.16 56.92 2rkb n GLU 12 Cb 0.00 -2.18 0.10 0.00 -0.57 0.00 0.00 31.44 28.79 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 1.20 2.11 0.19 3.49 0.04 -1.26 -4.94 135.00 135.83 2rkb s PRO 13 Ca 0.86 1.42 0.24 0.00 0.04 0.00 0.00 61.00 63.56 2rkb s PRO 13 Cb -0.91 -1.86 0.42 0.00 0.04 0.00 0.00 34.50 32.18 2rkb s PRO 13 CO 0.48 -1.79 1.43 0.74 0.04 0.00 0.00 177.00 177.90 2rkb h PHE 14 N -0.83 0.00 -4.20 0.56 0.04 -1.89 -3.46 116.94 107.16 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 0.06 0.00 2.20 0.00 0.00 35.95 39.47 2rkb h PHE 14 CO 0.53 0.00 0.34 -3.38 -0.60 0.00 0.00 178.31 175.21 2rkb s HIS 15 N -3.18 3.45 0.28 -0.55 -3.43 -1.26 -4.77 115.29 105.83 2rkb s HIS 15 Ca 0.07 1.05 0.11 0.00 -0.80 0.00 0.00 55.06 55.49 2rkb s HIS 15 Cb 0.12 -2.80 -0.05 0.00 -1.43 0.00 0.00 32.58 28.42 2rkb s HIS 15 CO 0.69 -0.84 -0.15 0.14 -2.00 0.00 0.00 174.74 172.58 2rkb s VAL 16 N -3.17 2.72 -0.42 -5.38 -7.23 -1.26 -5.04 120.40 100.62 2rkb s VAL 16 Ca 0.55 -2.29 -0.29 0.00 -1.81 0.00 0.00 61.98 58.15 2rkb s VAL 16 Cb -0.11 -2.43 0.01 0.00 0.56 0.00 0.00 36.38 34.40 2rkb s VAL 16 CO 0.51 -0.39 1.48 -0.69 -0.31 0.00 0.00 175.10 175.69 2rkb s VAL 17 N -2.46 3.82 0.40 1.32 1.01 -1.26 -4.97 120.40 118.25 2rkb s VAL 17 Ca 0.30 0.81 -0.19 0.00 0.00 0.00 0.00 61.98 62.91 2rkb s VAL 17 Cb -0.05 -4.14 -0.10 0.00 0.00 0.00 0.00 36.38 32.08 2rkb s VAL 17 CO 0.16 -0.75 0.89 0.42 0.00 0.00 0.00 175.10 175.82 2rkb s THR 18 N 5.79 4.48 0.51 3.92 -4.23 -1.26 -5.03 115.64 119.81 2rkb s THR 18 Ca 0.63 1.33 -0.23 0.00 -1.18 0.00 0.00 61.69 62.25 2rkb s THR 18 Cb -0.15 -3.60 -0.06 0.00 1.34 0.00 0.00 72.50 70.03 2rkb s THR 18 CO 0.32 -0.28 1.32 -2.84 -0.54 0.00 0.00 174.62 172.59 2rkb s PRO 19 N -3.13 3.39 -0.63 3.99 0.02 -1.26 -4.77 135.00 132.61 2rkb s PRO 19 Ca 0.60 2.14 0.01 0.00 0.02 0.00 0.00 61.00 63.77 2rkb s PRO 19 Cb -0.09 -2.36 0.16 0.00 0.02 0.00 0.00 34.50 32.22 2rkb s PRO 19 CO 0.14 -0.96 0.41 -1.17 -0.33 0.00 0.00 177.00 175.10 2rkb s LEU 20 N -3.26 4.83 0.02 -5.54 2.96 -1.26 -1.66 118.68 114.77 2rkb s LEU 20 Ca 0.68 -3.18 -0.22 0.00 -0.22 0.00 0.00 54.13 51.19 2rkb s LEU 20 Cb -0.38 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.52 2rkb s LEU 20 CO 0.46 -0.25 0.64 -0.76 -1.32 0.00 0.00 176.35 175.12 2rkb s LEU 21 N -0.53 4.43 -0.16 -0.68 1.43 -0.51 -4.78 118.68 117.89 2rkb s LEU 21 Ca 0.19 1.25 -0.23 0.00 -1.03 0.00 0.00 54.13 54.31 2rkb s LEU 21 Cb -0.19 -3.01 -0.02 0.00 0.03 0.00 0.00 46.19 43.00 2rkb s LEU 21 CO -0.05 0.09 0.72 -0.70 0.23 0.00 0.00 176.35 176.64 2rkb s GLU 22 N -0.22 4.28 -0.27 1.70 2.12 -1.26 0.12 118.70 125.17 2rkb s GLU 22 Ca 0.33 0.82 -0.12 0.00 0.36 0.00 0.00 54.97 56.35 2rkb s GLU 22 Cb -0.19 -3.55 -0.05 0.00 0.26 0.00 0.00 34.13 30.60 2rkb s GLU 22 CO 0.19 -0.22 0.24 0.45 -0.54 0.00 0.00 175.26 175.38 2rkb s SER 23 N 1.11 6.10 0.03 -1.70 0.15 0.12 -4.96 113.70 114.54 2rkb s SER 23 Ca 0.34 0.09 -0.29 0.00 0.70 0.00 0.00 55.95 56.78 2rkb s SER 23 Cb -0.16 -2.15 -0.17 0.00 -1.71 0.00 0.00 66.02 61.83 2rkb s SER 23 CO 0.12 -0.08 1.28 -0.25 1.20 0.00 0.00 173.24 175.51 2rkb h TRP 24 N 8.26 -0.85 -0.10 3.44 7.01 -1.96 0.23 115.95 131.98 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 0.28 -0.06 0.00 -2.10 0.00 0.00 29.16 28.47 2rkb h TRP 24 CO 0.75 -0.50 -0.25 0.00 -2.79 0.00 0.00 178.44 175.65 2rkb h ALA 25 N -0.98 -0.26 -0.64 2.65 0.00 -1.94 0.40 119.26 118.49 2rkb h ALA 25 Ca -0.09 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.90 2rkb h ALA 25 Cb 0.73 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 2rkb h ALA 25 CO 0.15 -0.73 0.35 -0.07 0.00 0.00 0.00 179.25 178.96 2rkb h LEU 26 N -0.34 0.53 -0.12 0.00 -0.00 -1.94 -1.18 115.31 112.26 2rkb h LEU 26 Ca 0.09 0.03 0.01 0.00 -0.00 0.00 0.00 57.88 58.01 2rkb h LEU 26 Cb 0.47 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.05 2rkb h LEU 26 CO -0.30 0.34 0.05 0.28 -0.00 0.00 0.00 178.44 178.82 2rkb h SER 27 N 0.66 0.06 -0.15 -0.43 0.02 0.50 0.21 113.55 114.42 2rkb h SER 27 Ca 0.28 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.29 2rkb h SER 27 Cb 0.17 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.65 2rkb h SER 27 CO -0.17 0.05 -0.25 1.56 -1.14 0.00 0.00 176.83 176.88 2rkb h GLN 28 N 0.11 -0.30 -0.39 3.45 1.08 0.30 0.24 115.11 119.60 2rkb h GLN 28 Ca 0.05 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 2rkb h GLN 28 Cb 0.02 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 2rkb h GLN 28 CO -0.05 -0.20 0.20 0.28 -0.95 0.00 0.00 178.83 178.12 2rkb h VAL 29 N -0.31 1.16 0.00 -0.54 2.07 -0.91 -2.86 116.25 114.87 2rkb h VAL 29 Ca 0.11 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 2rkb h VAL 29 Cb 0.47 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2rkb h VAL 29 CO -0.32 0.17 -0.28 0.00 0.02 0.00 0.00 177.57 177.16 2rkb h ALA 30 N 1.05 1.11 0.00 1.67 0.00 -0.26 -3.47 119.26 119.37 2rkb h ALA 30 Ca 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2rkb h ALA 30 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2rkb h ALA 30 CO -0.02 0.34 0.00 0.41 0.00 0.00 0.00 179.25 179.98 2rkb n GLY 31 N -0.08 0.43 3.56 0.00 0.00 0.81 -4.71 105.19 105.21 2rkb n GLY 31 Ca -0.01 -0.96 -0.08 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.62 0.55 0.11 1.61 0.23 -1.03 -5.01 119.30 113.15 2rkb s MET 32 Ca 0.00 -0.08 -0.32 0.00 -1.03 0.00 0.00 55.69 54.26 2rkb s MET 32 Cb 0.00 0.26 -0.11 0.00 -1.53 0.00 0.00 34.83 33.44 2rkb s MET 32 CO 0.00 -0.22 1.80 -0.35 -2.03 0.00 0.00 175.02 174.23 2rkb n PRO 33 N 0.19 2.63 -4.65 3.16 -0.04 -1.26 -4.23 135.00 130.79 2rkb n PRO 33 Ca -0.06 0.95 -0.33 0.00 -0.04 0.00 0.00 63.50 64.02 2rkb n PRO 33 Cb 0.59 -2.82 -0.14 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 2.58 3.00 -0.11 0.52 1.01 -1.26 -1.63 120.40 124.51 2rkb s VAL 34 Ca 0.83 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 62.14 2rkb s VAL 34 Cb -0.54 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 2rkb s VAL 34 CO 0.39 0.51 -0.13 -0.36 0.00 0.00 0.00 175.10 175.51 2rkb s PHE 35 N 0.54 2.79 -0.29 5.22 0.40 -0.11 0.13 117.98 126.65 2rkb s PHE 35 Ca -0.08 -0.49 -0.10 0.00 -0.60 0.00 0.00 56.93 55.66 2rkb s PHE 35 Cb -0.16 -1.78 -0.03 0.00 0.51 0.00 0.00 43.02 41.56 2rkb s PHE 35 CO 0.04 -0.08 0.17 -0.51 0.70 0.00 0.00 175.22 175.53 2rkb s LEU 36 N 0.02 4.02 -0.66 -0.37 1.43 0.33 -0.46 118.68 123.00 2rkb s LEU 36 Ca -0.04 -0.22 -0.22 0.00 -1.03 0.00 0.00 54.13 52.62 2rkb s LEU 36 Cb -0.14 -2.06 0.08 0.00 0.03 0.00 0.00 46.19 44.09 2rkb s LEU 36 CO 0.04 -0.11 0.94 -0.75 0.23 0.00 0.00 176.35 176.70 2rkb s LYS 37 N 1.70 3.11 -1.13 1.70 2.47 -0.35 -1.42 119.74 125.82 2rkb s LYS 37 Ca 0.06 -0.91 -0.21 0.00 -1.56 0.00 0.00 55.97 53.35 2rkb s LYS 37 Cb -0.16 -4.25 -0.07 0.00 -1.46 0.00 0.00 37.83 31.90 2rkb s LYS 37 CO 0.09 -1.78 1.92 0.00 0.16 0.00 0.00 175.35 175.73 2rkb n GLU 39 N 7.84 0.37 0.18 0.00 -0.58 -0.57 -2.78 120.64 125.10 2rkb n GLU 39 Ca 0.47 0.04 0.14 0.00 -0.42 0.00 0.00 57.16 57.39 2rkb n GLU 39 Cb 0.44 -1.50 0.50 0.00 -0.57 0.00 0.00 31.44 30.31 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 -0.72 1.62 -1.07 -1.60 -2.87 115.58 110.94 2rkb h ASN 40 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 56.30 55.95 2rkb h ASN 40 Cb 0.25 0.00 -0.24 0.00 -2.07 0.00 0.00 38.32 36.26 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 -2.58 2.97 -3.25 6.14 0.24 -1.12 -4.63 118.33 116.10 2rkb n VAL 41 Ca 0.03 -2.71 -0.35 0.00 -2.04 0.00 0.00 64.34 59.27 2rkb n VAL 41 Cb 0.32 -0.62 -0.06 0.00 -1.47 0.00 0.00 33.84 32.01 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 -3.42 4.04 0.34 7.34 -1.52 -1.09 -4.98 119.66 120.38 2rkb s GLN 42 Ca 0.53 0.61 0.13 0.00 -1.95 0.00 0.00 55.36 54.68 2rkb s GLN 42 Cb 0.45 -2.80 1.10 0.00 -0.22 0.00 0.00 33.01 31.55 2rkb s GLN 42 CO 0.03 0.38 1.59 -1.00 -0.25 0.00 0.00 175.29 176.04 2rkb h PRO 43 N 3.17 0.04 -0.01 2.91 0.13 -1.86 0.13 132.00 136.51 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 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2rkb h PRO 43 CO 0.66 0.03 -0.07 -1.13 -0.23 0.00 0.00 178.00 177.26 2rkb n SER 44 N -5.31 0.89 0.00 1.44 3.41 -1.26 -4.90 113.62 107.89 2rkb n SER 44 Ca 0.32 -1.07 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 2rkb n SER 44 Cb 1.06 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.02 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 1.20 0.46 3.82 5.00 0.00 0.45 -4.63 105.19 111.49 2rkb n GLY 45 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.03 -0.10 0.63 1.61 1.04 -1.23 -1.86 113.70 111.76 2rkb s SER 46 Ca 0.00 -0.76 0.42 0.00 0.48 0.00 0.00 55.95 56.09 2rkb s SER 46 Cb 0.00 0.67 2.19 0.00 0.10 0.00 0.00 66.02 68.98 2rkb s SER 46 CO 0.00 -1.30 2.28 2.19 0.98 0.00 0.00 173.24 177.39 2rkb h PHE 47 N 2.00 0.00 -1.01 5.02 -5.15 -1.56 -3.22 116.94 113.02 2rkb h PHE 47 Ca -0.26 0.00 0.32 0.00 -0.20 0.00 0.00 57.97 57.83 2rkb h PHE 47 Cb 1.24 0.00 -0.15 0.00 0.22 0.00 0.00 35.95 37.26 2rkb h PHE 47 CO 0.92 0.00 0.58 0.87 -2.00 0.00 0.00 178.31 178.68 2rkb h LYS 48 N 0.00 0.33 -0.14 6.09 1.79 -1.91 0.79 116.57 123.51 2rkb h LYS 48 Ca 0.00 -0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.49 2rkb h LYS 48 Cb 0.10 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 2rkb h LYS 48 CO 0.00 0.22 0.23 0.97 -1.08 0.00 0.00 179.45 179.79 2rkb h ILE 49 N 0.34 0.28 0.03 1.86 6.09 -1.90 -0.89 117.51 123.31 2rkb h ILE 49 Ca 0.73 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 64.22 2rkb h ILE 49 Cb 1.67 0.80 0.00 0.00 0.47 0.00 0.00 36.82 39.76 2rkb h ILE 49 CO -0.59 0.00 -0.01 0.03 -3.07 0.00 0.00 178.15 174.51 2rkb h ARG 50 N 0.00 -0.03 0.10 2.19 3.08 -1.12 0.25 114.38 118.85 2rkb h ARG 50 Ca 0.07 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2rkb h ARG 50 Cb 0.53 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2rkb h ARG 50 CO -0.00 -0.02 -0.05 0.78 -1.07 0.00 0.00 179.97 179.61 2rkb h GLY 51 N -0.04 -0.14 1.18 0.04 0.00 -1.61 -1.98 103.07 100.52 2rkb h GLY 51 Ca -0.00 0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 2rkb h GLY 51 CO 0.01 -0.05 0.29 -2.22 0.00 0.00 0.00 176.54 174.57 2rkb h ILE 52 N -0.33 1.24 -0.50 2.60 2.04 -1.30 0.14 117.51 121.39 2rkb h ILE 52 Ca -0.01 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 2rkb h ILE 52 Cb 0.28 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2rkb h ILE 52 CO 0.02 0.30 0.25 1.23 0.00 0.00 0.00 178.15 179.95 2rkb h GLY 53 N 1.09 0.76 1.10 5.37 0.00 -0.46 -1.09 103.07 109.85 2rkb h GLY 53 Ca 0.24 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 2rkb h GLY 53 CO -0.02 0.35 0.03 0.84 0.00 0.00 0.00 176.54 177.74 2rkb h HIS 54 N 0.66 1.17 -0.10 5.60 -0.00 -0.85 -1.74 115.15 119.88 2rkb h HIS 54 Ca 0.17 -0.19 0.02 0.00 -0.00 0.00 0.00 60.37 60.38 2rkb h HIS 54 Cb 0.10 -0.31 -0.02 0.00 -0.00 0.00 0.00 27.41 27.18 2rkb h HIS 54 CO -0.01 1.01 -0.03 0.35 -0.00 0.00 0.00 177.93 179.25 2rkb h PHE 55 N 0.99 -0.08 -0.74 5.26 3.57 -0.32 -0.87 116.94 124.76 2rkb h PHE 55 Ca 0.18 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 2rkb h PHE 55 Cb 0.53 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 2rkb h PHE 55 CO 0.04 -0.06 0.32 0.00 -2.23 0.00 0.00 178.31 176.38 2rkb h GLN 57 N 1.06 0.94 -0.29 0.00 4.20 -0.89 0.90 115.11 121.02 2rkb h GLN 57 Ca 0.25 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.76 2rkb h GLN 57 Cb 0.18 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2rkb h GLN 57 CO -0.02 0.74 -0.08 0.93 -0.67 0.00 0.00 178.83 179.72 2rkb h GLU 58 N 0.93 0.57 -0.27 1.46 4.39 -0.78 -1.52 114.58 119.35 2rkb h GLU 58 Ca 0.23 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2rkb h GLU 58 Cb 0.12 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2rkb h GLU 58 CO -0.03 0.78 0.15 0.52 -1.16 0.00 0.00 179.01 179.27 2rkb h MET 59 N 0.33 0.37 0.28 2.33 2.86 -0.79 0.86 114.93 121.15 2rkb h MET 59 Ca 0.07 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2rkb h MET 59 Cb 0.57 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2rkb h MET 59 CO 0.03 0.27 -0.13 0.00 1.06 0.00 0.00 176.91 178.14 2rkb h ALA 60 N 1.79 -0.37 -0.71 6.32 0.00 -0.44 0.28 119.26 126.13 2rkb h ALA 60 Ca 0.10 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.97 2rkb h ALA 60 Cb 0.01 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 2rkb h ALA 60 CO -0.02 -0.62 0.34 0.87 0.00 0.00 0.00 179.25 179.81 2rkb h LYS 61 N -0.54 0.55 0.00 0.00 1.57 -0.45 0.22 116.57 117.91 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 0.40 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2rkb h LYS 61 CO 0.06 0.36 0.00 1.17 -0.57 0.00 0.00 179.45 180.47 2rkb n LYS 62 N -4.89 0.30 -1.38 3.15 4.81 0.22 -4.81 118.16 115.56 2rkb n LYS 62 Ca 0.11 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 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 -0.31 0.99 3.72 3.14 0.00 0.77 -5.05 105.19 108.45 2rkb n GLY 63 Ca 0.08 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 3.40 2.87 -3.65 0.00 3.00 0.30 -4.74 116.66 117.83 2rkb n ARG 65 Ca 0.05 -0.19 -0.07 0.00 -0.01 0.00 0.00 57.85 57.63 2rkb n ARG 65 Cb 0.49 -1.07 -0.07 0.00 0.00 0.00 0.00 32.46 31.81 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 -1.93 -1.00 -0.13 -1.55 2.46 -0.82 -4.13 115.29 108.19 2rkb s HIS 66 Ca 0.06 1.96 -0.04 0.00 0.47 0.00 0.00 55.06 57.52 2rkb s HIS 66 Cb 0.09 0.57 -0.03 0.00 -0.13 0.00 0.00 32.58 33.08 2rkb s HIS 66 CO 0.42 -0.51 0.00 -0.51 -2.47 0.00 0.00 174.74 171.67 2rkb s LEU 67 N 1.85 3.52 0.13 8.88 1.43 -0.36 -1.54 118.68 132.58 2rkb s LEU 67 Ca -0.09 0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.13 2rkb s LEU 67 Cb -0.07 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 2rkb s LEU 67 CO -0.18 0.26 -0.20 0.54 0.23 0.00 0.00 176.35 177.01 2rkb s VAL 68 N -0.18 1.74 -0.09 -1.59 0.11 -0.43 -0.45 120.40 119.51 2rkb s VAL 68 Ca 0.05 -1.69 -0.18 0.00 -2.93 0.00 0.00 61.98 57.23 2rkb s VAL 68 Cb -0.13 -1.66 0.04 0.00 -1.53 0.00 0.00 36.38 33.10 2rkb s VAL 68 CO 0.02 -0.17 0.44 0.00 -3.33 0.00 0.00 175.10 172.06 2rkb n SER 70 N 1.94 3.60 -4.55 0.00 3.41 -1.26 -0.88 113.62 115.88 2rkb n SER 70 Ca -0.17 -2.31 -0.38 0.00 -0.26 0.00 0.00 58.87 55.75 2rkb n SER 70 Cb 0.57 -0.39 -0.11 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.18 5.83 0.00 4.04 0.15 -1.26 -4.77 113.70 116.50 2rkb s SER 71 Ca 0.35 -0.11 0.27 0.00 0.70 0.00 0.00 55.95 57.16 2rkb s SER 71 Cb 0.22 -2.08 0.83 0.00 -1.71 0.00 0.00 66.02 63.29 2rkb s SER 71 CO 0.18 -0.07 1.61 0.61 1.20 0.00 0.00 173.24 176.77 2rkb n GLY 72 N 5.03 -0.27 0.00 9.45 0.00 -1.26 -2.89 105.19 115.25 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 1.27 1.29 0.31 -0.02 0.00 -1.26 -4.71 105.19 102.07 2rkb n GLY 73 Ca 0.15 -1.59 0.01 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.30 1.61 2.35 -1.96 -1.51 115.58 116.41 2rkb h ASN 74 Ca 0.00 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 2rkb h ASN 74 Cb 0.00 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 2rkb h ASN 74 CO 0.00 0.53 0.17 0.00 -1.65 0.00 0.00 177.43 176.48 2rkb h ALA 75 N 1.57 0.39 -0.37 -0.83 0.00 -1.92 -1.15 119.26 116.95 2rkb h ALA 75 Ca 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2rkb h ALA 75 Cb 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2rkb h ALA 75 CO -0.03 -0.09 0.20 0.78 0.00 0.00 0.00 179.25 180.11 2rkb h GLY 76 N 0.37 0.55 0.86 0.00 0.00 -1.27 0.21 103.07 103.80 2rkb h GLY 76 Ca 0.11 -0.26 0.03 0.00 0.00 0.00 0.00 47.33 47.21 2rkb h GLY 76 CO -0.02 0.24 0.44 -2.22 0.00 0.00 0.00 176.54 174.98 2rkb h ILE 77 N 0.47 1.09 -0.15 2.60 2.04 -1.13 0.17 117.51 122.59 2rkb h ILE 77 Ca 0.13 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 2rkb h ILE 77 Cb 0.07 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 2rkb h ILE 77 CO -0.02 0.16 0.06 0.00 0.00 0.00 0.00 178.15 178.35 2rkb h ALA 78 N 1.30 0.19 -0.10 1.87 0.00 -0.84 0.52 119.26 122.21 2rkb h ALA 78 Ca 0.28 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.13 2rkb h ALA 78 Cb 0.02 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 2rkb h ALA 78 CO -0.11 -0.22 -0.26 0.00 0.00 0.00 0.00 179.25 178.66 2rkb h ALA 79 N 0.90 -0.29 -0.38 0.00 0.00 0.07 0.21 119.26 119.77 2rkb h ALA 79 Ca 0.05 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2rkb h ALA 79 Cb 0.17 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 2rkb h ALA 79 CO -0.00 -0.74 0.08 0.00 0.00 0.00 0.00 179.25 178.58 2rkb h ALA 80 N 0.54 0.41 0.25 0.00 0.00 -0.53 0.12 119.26 120.04 2rkb h ALA 80 Ca 0.09 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2rkb h ALA 80 Cb 0.48 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2rkb h ALA 80 CO -0.30 -0.33 -0.24 -0.92 0.00 0.00 0.00 179.25 177.47 2rkb h TYR 81 N 0.20 -0.63 -0.47 0.00 3.20 -0.12 0.25 116.97 119.40 2rkb h TYR 81 Ca 0.18 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.12 2rkb h TYR 81 Cb 0.21 0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.67 2rkb h TYR 81 CO -0.19 -0.35 0.16 0.00 -1.64 0.00 0.00 178.16 176.14 2rkb h ALA 82 N 0.16 0.56 -0.30 1.82 0.00 -0.32 -0.59 119.26 120.59 2rkb h ALA 82 Ca -0.01 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2rkb h ALA 82 Cb 0.47 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2rkb h ALA 82 CO -0.05 -0.23 0.07 0.00 0.00 0.00 0.00 179.25 179.05 2rkb h ALA 83 N 1.31 0.33 -0.06 0.00 0.00 -0.44 -1.05 119.26 119.35 2rkb h ALA 83 Ca 0.22 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.20 2rkb h ALA 83 Cb 0.22 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2rkb h ALA 83 CO -0.23 -0.33 -0.02 -0.09 0.00 0.00 0.00 179.25 178.57 2rkb h ARG 84 N 0.19 -0.02 0.00 0.00 2.43 -0.20 0.18 114.38 116.96 2rkb h ARG 84 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2rkb h ARG 84 Cb 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2rkb h ARG 84 CO -0.17 -0.01 0.00 0.87 -1.51 0.00 0.00 179.97 179.14 2rkb h LYS 85 N -0.02 0.00 -0.01 0.20 1.79 -0.74 0.89 116.57 118.67 2rkb h LYS 85 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2rkb h LYS 85 Cb 0.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2rkb h LYS 85 CO -0.07 0.00 -0.50 1.28 -1.08 0.00 0.00 179.45 179.08 2rkb n LEU 86 N -2.71 1.71 -1.25 2.94 4.77 -0.09 -4.96 117.00 117.42 2rkb n LEU 86 Ca -0.02 -0.63 -0.13 0.00 -0.03 0.00 0.00 56.01 55.20 2rkb n LEU 86 Cb 0.06 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2rkb n LEU 86 CO 0.15 0.33 -0.15 0.61 -1.33 0.00 0.00 177.39 177.01 2rkb n GLY 87 N 1.42 0.48 3.50 -0.72 0.00 0.30 -5.01 105.19 105.17 2rkb n GLY 87 Ca 0.09 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.57 3.47 0.29 -0.61 1.01 -0.61 -5.03 121.20 117.16 2rkb s ILE 88 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 60.65 59.81 2rkb s ILE 88 Cb 0.00 -2.44 -0.13 0.00 0.01 0.00 0.00 42.46 39.91 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 2.74 2.19 -5.10 2.79 -0.02 -1.26 -4.27 135.00 132.08 2rkb n PRO 89 Ca -0.18 0.77 -0.32 0.00 -2.02 0.00 0.00 63.50 61.76 2rkb n PRO 89 Cb 0.53 -2.43 -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 -0.45 2.32 -0.11 3.55 0.00 -1.26 -1.22 121.76 124.59 2rkb s ALA 90 Ca 0.63 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.62 2rkb s ALA 90 Cb -0.59 -0.88 0.02 0.00 0.00 0.00 0.00 23.12 21.67 2rkb s ALA 90 CO 0.54 0.34 -0.11 0.99 0.00 0.00 0.00 175.76 177.52 2rkb s THR 91 N 0.11 1.27 -0.19 0.00 2.01 0.40 -1.61 115.64 117.62 2rkb s THR 91 Ca -0.10 -0.47 -0.05 0.00 0.31 0.00 0.00 61.69 61.38 2rkb s THR 91 Cb -0.16 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 2rkb s THR 91 CO 0.06 0.40 0.01 -0.63 -0.69 0.00 0.00 174.62 173.77 2rkb s ILE 92 N 1.36 4.11 -0.23 1.82 -1.09 0.17 -0.63 121.20 126.71 2rkb s ILE 92 Ca -0.00 -0.26 0.02 0.00 -2.23 0.00 0.00 60.65 58.18 2rkb s ILE 92 Cb -0.14 -2.85 0.05 0.00 -1.58 0.00 0.00 42.46 37.94 2rkb s ILE 92 CO -0.06 0.44 -0.14 0.54 -1.23 0.00 0.00 174.94 174.49 2rkb s VAL 93 N 0.82 2.14 0.39 2.92 0.11 -0.05 -0.94 120.40 125.79 2rkb s VAL 93 Ca 0.01 -1.40 0.08 0.00 -2.93 0.00 0.00 61.98 57.74 2rkb s VAL 93 Cb -0.14 -2.14 -0.07 0.00 -1.53 0.00 0.00 36.38 32.49 2rkb s VAL 93 CO 0.02 0.16 -0.02 -0.76 -3.33 0.00 0.00 175.10 171.17 2rkb s LEU 94 N 1.17 2.82 0.77 2.54 2.01 -0.79 -4.34 118.68 122.86 2rkb s LEU 94 Ca -0.04 -1.31 -0.11 0.00 0.01 0.00 0.00 54.13 52.67 2rkb s LEU 94 Cb -0.18 -0.93 0.05 0.00 0.01 0.00 0.00 46.19 45.15 2rkb s LEU 94 CO -0.08 -0.37 1.08 -2.16 1.01 0.00 0.00 176.35 175.83 2rkb s PRO 95 N -3.68 2.29 0.64 1.29 0.04 -1.26 -1.52 135.00 132.80 2rkb s PRO 95 Ca 0.34 0.91 0.42 0.00 0.04 0.00 0.00 61.00 62.71 2rkb s PRO 95 Cb 0.07 -1.92 2.24 0.00 0.04 0.00 0.00 34.50 34.93 2rkb s PRO 95 CO 0.17 -1.55 2.32 0.93 0.04 0.00 0.00 177.00 178.91 2rkb h GLU 96 N -1.04 0.00 0.00 4.56 5.08 -0.56 -0.81 114.58 121.81 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 0.56 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 179.23 2rkb h SER 97 N 0.00 0.00 -2.06 1.42 4.64 -1.79 -3.46 113.55 112.31 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 0.06 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.23 2rkb h SER 97 CO 0.00 0.00 0.44 0.41 -0.87 0.00 0.00 176.83 176.81 2rkb n THR 98 N -2.54 0.58 -2.18 2.95 -1.04 -0.31 -4.92 114.28 106.82 2rkb n THR 98 Ca 0.02 -0.15 -0.39 0.00 -2.04 0.00 0.00 64.05 61.50 2rkb n THR 98 Cb 0.31 -1.04 -0.01 0.00 -1.82 0.00 0.00 70.33 67.77 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 0.28 6.35 0.36 8.00 0.15 -1.26 -4.94 113.70 122.64 2rkb s SER 99 Ca 0.76 2.47 0.04 0.00 0.70 0.00 0.00 55.95 59.92 2rkb s SER 99 Cb -0.82 -2.62 0.69 0.00 -1.71 0.00 0.00 66.02 61.56 2rkb s SER 99 CO 0.49 -0.80 1.99 0.25 1.20 0.00 0.00 173.24 176.36 2rkb h LEU 100 N 2.54 0.59 -1.51 3.45 7.12 -1.98 -1.52 115.31 124.00 2rkb h LEU 100 Ca -0.49 -0.04 -0.02 0.00 0.13 0.00 0.00 57.88 57.46 2rkb h LEU 100 Cb 1.24 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 41.21 2rkb h LEU 100 CO 0.62 0.49 0.10 0.06 -0.13 0.00 0.00 178.44 179.58 2rkb h GLN 101 N 0.67 0.42 -0.07 1.25 3.07 -1.99 -0.18 115.11 118.28 2rkb h GLN 101 Ca 0.17 -0.05 -0.03 0.00 0.09 0.00 0.00 58.65 58.83 2rkb h GLN 101 Cb 0.03 -0.08 -0.00 0.00 0.08 0.00 0.00 27.48 27.51 2rkb h GLN 101 CO -0.03 0.37 -0.08 0.28 0.09 0.00 0.00 178.83 179.46 2rkb h VAL 102 N 0.42 1.38 -0.35 1.86 2.07 -1.67 -1.95 116.25 118.01 2rkb h VAL 102 Ca 0.10 -1.26 0.05 0.00 0.82 0.00 0.00 66.70 66.41 2rkb h VAL 102 Cb 0.12 2.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 2rkb h VAL 102 CO -0.01 0.35 0.07 0.58 0.02 0.00 0.00 177.57 178.58 2rkb h VAL 103 N -0.27 0.83 -0.57 2.57 2.07 -1.01 -1.66 116.25 118.21 2rkb h VAL 103 Ca 0.01 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2rkb h VAL 103 Cb 0.60 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2rkb h VAL 103 CO 0.02 0.03 0.36 1.56 0.02 0.00 0.00 177.57 179.57 2rkb h GLN 104 N 0.19 0.76 -0.64 1.57 4.20 -1.05 -0.55 115.11 119.59 2rkb h GLN 104 Ca 0.16 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.84 2rkb h GLN 104 Cb 0.18 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 2rkb h GLN 104 CO -0.22 0.53 0.40 -0.09 -0.67 0.00 0.00 178.83 178.79 2rkb h ARG 105 N 0.77 0.78 -0.32 1.46 9.65 -0.89 0.17 114.38 126.00 2rkb h ARG 105 Ca 0.21 -0.05 -0.12 0.00 -1.10 0.00 0.00 59.98 58.92 2rkb h ARG 105 Cb -0.06 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.34 2rkb h ARG 105 CO -0.04 0.51 -0.30 -0.07 2.80 0.00 0.00 179.97 182.88 2rkb h LEU 106 N 0.80 0.69 -1.45 3.80 3.38 -0.99 -1.79 115.31 119.74 2rkb h LEU 106 Ca 0.25 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2rkb h LEU 106 Cb -0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2rkb h LEU 106 CO -0.09 0.94 -0.27 1.56 0.09 0.00 0.00 178.44 180.67 2rkb h GLN 107 N 0.57 0.00 0.00 1.13 4.20 -0.40 -0.25 115.11 120.36 2rkb h GLN 107 Ca 0.07 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 2rkb h GLN 107 Cb 0.79 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 2rkb h GLN 107 CO 0.07 0.27 -0.08 0.78 -0.67 0.00 0.00 178.83 179.19 2rkb h GLY 108 N 1.10 0.00 -1.21 3.46 0.00 0.22 -0.17 103.07 106.47 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 -3.60 1.93 -0.82 4.80 -0.58 -0.13 -4.92 120.64 117.32 2rkb n GLU 109 Ca -0.02 -1.39 0.00 0.00 -0.42 0.00 0.00 57.16 55.33 2rkb n GLU 109 Cb 0.20 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 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 1.22 0.53 3.88 0.62 0.00 -0.08 -4.59 105.19 106.77 2rkb n GLY 110 Ca 0.17 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 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 3.87 0.31 4.61 0.00 -1.07 -4.61 121.76 122.87 2rkb s ALA 111 Ca 0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 51.96 50.97 2rkb s ALA 111 Cb 0.00 -1.75 -0.09 0.00 0.00 0.00 0.00 23.12 21.28 2rkb s ALA 111 CO 0.00 0.78 0.72 -1.83 0.00 0.00 0.00 175.76 175.43 2rkb s GLU 112 N -2.22 3.99 -0.23 0.00 -1.05 -0.64 -3.94 118.70 114.61 2rkb s GLU 112 Ca 0.30 0.64 0.01 0.00 -0.15 0.00 0.00 54.97 55.77 2rkb s GLU 112 Cb -0.13 -2.45 0.05 0.00 -0.44 0.00 0.00 34.13 31.16 2rkb s GLU 112 CO 0.23 0.17 -0.08 0.08 0.95 0.00 0.00 175.26 176.60 2rkb s VAL 113 N -1.97 1.73 -0.26 1.83 1.01 -1.26 -0.66 120.40 120.84 2rkb s VAL 113 Ca 0.53 -1.26 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 2rkb s VAL 113 Cb -0.10 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 2rkb s VAL 113 CO 0.18 0.00 0.16 -1.10 0.00 0.00 0.00 175.10 174.34 2rkb s GLN 114 N 1.32 3.98 -0.40 2.72 -0.21 -0.11 -5.00 119.66 121.95 2rkb s GLN 114 Ca -0.05 -0.31 -0.14 0.00 0.02 0.00 0.00 55.36 54.87 2rkb s GLN 114 Cb -0.18 -3.56 0.02 0.00 1.00 0.00 0.00 33.01 30.29 2rkb s GLN 114 CO -0.07 -0.06 0.29 -0.51 -2.12 0.00 0.00 175.29 172.83 2rkb s LEU 115 N 1.38 5.02 -0.02 2.90 2.01 -1.26 -1.89 118.68 126.82 2rkb s LEU 115 Ca 0.07 -0.85 -0.01 0.00 0.01 0.00 0.00 54.13 53.34 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 0.07 -0.42 0.04 0.42 1.01 0.00 0.00 176.35 177.47 2rkb s THR 116 N 1.68 -0.01 0.00 5.49 -4.23 -0.58 -4.71 115.64 113.27 2rkb s THR 116 Ca 0.05 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 2rkb s THR 116 Cb -0.19 -0.07 0.00 0.00 1.34 0.00 0.00 72.50 73.58 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 3.35 1.71 0.11 3.99 0.00 -1.26 -3.54 105.19 109.55 2rkb n GLY 117 Ca -0.16 -1.71 -0.16 0.00 0.00 0.00 0.00 46.02 43.99 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 0.16 -6.37 1.61 1.63 -1.96 0.32 116.57 111.96 2rkb h LYS 118 Ca 0.00 -0.27 -0.61 0.00 -0.85 0.00 0.00 60.65 58.92 2rkb h LYS 118 Cb 0.00 0.10 -0.13 0.00 -0.60 0.00 0.00 32.23 31.60 2rkb h LYS 118 CO 0.00 0.92 -0.70 0.54 -3.45 0.00 0.00 179.45 176.76 2rkb s VAL 119 N -2.58 3.24 0.29 2.00 0.11 -1.26 -4.35 120.40 117.85 2rkb s VAL 119 Ca -0.14 -1.75 0.03 0.00 -2.93 0.00 0.00 61.98 57.19 2rkb s VAL 119 Cb 0.07 -2.64 0.28 0.00 -1.53 0.00 0.00 36.38 32.56 2rkb s VAL 119 CO 0.80 -0.19 1.78 -0.25 -3.33 0.00 0.00 175.10 173.91 2rkb h TRP 120 N 2.61 1.00 -0.63 1.54 7.01 -1.94 -2.54 115.95 123.00 2rkb h TRP 120 Ca -0.46 0.03 0.13 0.00 2.11 0.00 0.00 58.89 60.71 2rkb h TRP 120 Cb 1.22 -0.30 -0.11 0.00 -2.10 0.00 0.00 29.16 27.87 2rkb h TRP 120 CO 0.67 0.26 0.02 -0.44 -2.79 0.00 0.00 178.44 176.15 2rkb h ASP 121 N 0.77 -0.26 -0.57 2.65 3.32 -1.97 0.15 116.42 120.50 2rkb h ASP 121 Ca 0.53 0.15 0.04 0.00 0.02 0.00 0.00 57.03 57.77 2rkb h ASP 121 Cb 0.76 0.27 -0.04 0.00 0.22 0.00 0.00 39.33 40.53 2rkb h ASP 121 CO -0.36 -0.11 0.33 -0.33 -1.72 0.00 0.00 179.24 177.05 2rkb h GLU 122 N 0.13 0.63 -0.74 3.56 5.08 -1.79 0.23 114.58 121.67 2rkb h GLU 122 Ca 0.33 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 2rkb h GLU 122 Cb 0.55 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2rkb h GLU 122 CO -0.53 0.41 0.35 0.00 -1.00 0.00 0.00 179.01 178.24 2rkb h ALA 123 N 1.27 0.96 -0.28 3.43 0.00 -1.16 0.22 119.26 123.71 2rkb h ALA 123 Ca 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2rkb h ALA 123 Cb 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2rkb h ALA 123 CO -0.13 0.54 0.10 -0.97 0.00 0.00 0.00 179.25 178.79 2rkb h ASN 124 N 1.05 0.40 -0.73 0.00 -1.24 0.14 -0.16 115.58 115.04 2rkb h ASN 124 Ca 0.25 -0.19 0.03 0.00 0.71 0.00 0.00 56.30 57.10 2rkb h ASN 124 Cb 0.13 -0.10 -0.04 0.00 0.73 0.00 0.00 38.32 39.04 2rkb h ASN 124 CO -0.03 0.48 0.47 -0.07 -1.29 0.00 0.00 177.43 176.98 2rkb h LEU 125 N 0.30 0.77 -1.16 0.34 4.07 -0.25 -1.36 115.31 118.02 2rkb h LEU 125 Ca 0.09 -0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.06 2rkb h LEU 125 Cb 0.21 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 41.74 2rkb h LEU 125 CO -0.01 0.54 0.57 -0.09 -1.08 0.00 0.00 178.44 178.37 2rkb h ARG 126 N 0.92 1.11 -0.59 1.13 9.65 -0.51 0.40 114.38 126.48 2rkb h ARG 126 Ca 0.29 -0.07 -0.05 0.00 -1.10 0.00 0.00 59.98 59.05 2rkb h ARG 126 Cb -0.00 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.30 2rkb h ARG 126 CO -0.10 0.73 0.16 0.00 2.80 0.00 0.00 179.97 183.56 2rkb h ALA 127 N 1.47 0.78 -0.39 2.80 0.00 -0.01 -1.80 119.26 122.11 2rkb h ALA 127 Ca 0.32 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2rkb h ALA 127 Cb -0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2rkb h ALA 127 CO -0.08 0.47 -0.20 1.96 0.00 0.00 0.00 179.25 181.41 2rkb h GLN 128 N 0.85 0.75 -0.03 0.00 4.20 -0.57 -1.42 115.11 118.89 2rkb h GLN 128 Ca 0.19 -0.29 0.01 0.00 0.06 0.00 0.00 58.65 58.62 2rkb h GLN 128 Cb 0.33 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2rkb h GLN 128 CO -0.00 0.89 -0.01 0.93 -0.67 0.00 0.00 178.83 179.97 2rkb h GLU 129 N 0.66 -0.00 -0.61 1.46 4.39 -0.65 -1.94 114.58 117.89 2rkb h GLU 129 Ca 0.10 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.81 2rkb h GLU 129 Cb 0.69 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.31 2rkb h GLU 129 CO 0.05 -0.00 0.41 -0.07 -1.16 0.00 0.00 179.01 178.23 2rkb h LEU 130 N -0.00 0.70 -1.99 1.33 3.38 -1.17 -0.09 115.31 117.47 2rkb h LEU 130 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2rkb h LEU 130 Cb 0.03 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2rkb h LEU 130 CO -0.04 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.00 2rkb h ALA 131 N 1.62 1.00 0.00 1.53 0.00 -0.52 -1.33 119.26 121.56 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 -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 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 0.00 -6.93 0.00 1.57 -0.40 -3.42 116.57 107.40 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 0.34 -0.18 0.54 -0.57 0.00 0.00 179.45 179.58 2rkb n ARG 133 N -4.03 -0.02 0.00 3.15 1.74 -0.50 -4.95 116.66 112.05 2rkb n ARG 133 Ca -0.02 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2rkb n ARG 133 Cb 0.39 -2.08 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 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 -1.94 0.00 -0.29 0.55 2.03 -1.26 -3.00 116.55 112.64 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 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 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 0.08 3.83 0.27 0.00 -1.26 -4.75 105.19 103.35 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 -1.43 3.66 -0.04 1.61 0.52 -1.16 -0.54 118.94 121.56 2rkb s TRP 136 Ca 0.00 0.85 0.02 0.00 0.02 0.00 0.00 56.10 57.00 2rkb s TRP 136 Cb 0.00 -2.24 0.01 0.00 -1.15 0.00 0.00 33.47 30.09 2rkb s TRP 136 CO 0.00 0.59 -0.09 -1.21 0.02 0.00 0.00 176.95 176.26 2rkb s GLU 137 N -0.80 1.11 -0.17 4.98 0.41 -0.59 -4.73 118.70 118.92 2rkb s GLU 137 Ca 0.21 -0.31 -0.21 0.00 -0.41 0.00 0.00 54.97 54.25 2rkb s GLU 137 Cb -0.15 -1.01 -0.03 0.00 -1.78 0.00 0.00 34.13 31.16 2rkb s GLU 137 CO 0.10 0.08 0.63 1.21 -0.49 0.00 0.00 175.26 176.79 2rkb s ASN 138 N 0.37 6.73 -0.39 -0.19 3.04 -1.26 -1.32 114.94 121.93 2rkb s ASN 138 Ca -0.06 0.89 -0.24 0.00 0.04 0.00 0.00 52.86 53.48 2rkb s ASN 138 Cb -0.11 -2.35 0.01 0.00 -1.54 0.00 0.00 41.25 37.26 2rkb s ASN 138 CO 0.01 -0.22 0.83 -0.69 -3.04 0.00 0.00 177.10 173.99 2rkb s VAL 139 N 1.61 4.66 0.18 -5.21 1.01 0.11 -4.95 120.40 117.81 2rkb s VAL 139 Ca 0.30 0.87 -0.29 0.00 0.00 0.00 0.00 61.98 62.86 2rkb s VAL 139 Cb -0.16 -4.28 -0.08 0.00 0.00 0.00 0.00 36.38 31.87 2rkb s VAL 139 CO 0.11 -0.54 0.90 -2.16 0.00 0.00 0.00 175.10 173.42 2rkb s PRO 140 N 3.28 4.73 0.40 2.72 0.04 -1.26 -4.56 135.00 140.35 2rkb s PRO 140 Ca 0.33 1.38 0.18 0.00 0.04 0.00 0.00 61.00 62.93 2rkb s PRO 140 Cb -0.12 -3.31 0.84 0.00 0.04 0.00 0.00 34.50 31.94 2rkb s PRO 140 CO 0.19 0.43 1.84 -1.00 0.04 0.00 0.00 177.00 178.50 2rkb h PRO 141 N 4.68 0.00 0.00 0.56 0.13 -1.96 -3.44 132.00 131.98 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 0.33 0.00 1.97 -0.23 0.00 0.00 178.00 180.76 2rkb n PHE 142 N -3.80 0.00 -2.79 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 0.42 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.28 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 -1.23 6.84 -0.29 5.98 -1.08 -1.26 -4.19 116.67 121.43 2rkb s ASP 143 Ca 0.00 -2.44 -0.19 0.00 -0.52 0.00 0.00 52.55 49.40 2rkb s ASP 143 Cb 0.00 -2.47 0.17 0.00 -1.46 0.00 0.00 42.92 39.16 2rkb s ASP 143 CO 0.00 -1.03 1.17 -2.28 0.52 0.00 0.00 175.17 173.55 2rkb s HIS 144 N 2.99 -0.29 0.29 -5.34 2.46 -1.26 -4.97 115.29 109.17 2rkb s HIS 144 Ca 0.44 0.61 0.03 0.00 0.47 0.00 0.00 55.06 56.61 2rkb s HIS 144 Cb -0.01 0.27 0.71 0.00 -0.13 0.00 0.00 32.58 33.42 2rkb s HIS 144 CO -0.01 -0.14 1.68 -1.35 -2.47 0.00 0.00 174.74 172.45 2rkb h PRO 145 N 4.92 0.32 -0.33 2.88 0.11 -2.00 0.10 132.00 138.00 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 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2rkb h PRO 145 CO 0.19 0.21 -0.02 -0.07 -0.21 0.00 0.00 178.00 178.11 2rkb h LEU 146 N 0.33 0.49 -0.11 2.35 3.38 -1.96 0.14 115.31 119.92 2rkb h LEU 146 Ca 0.55 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.41 2rkb h LEU 146 Cb 1.07 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 2rkb h LEU 146 CO -0.57 0.57 0.03 0.40 0.09 0.00 0.00 178.44 178.96 2rkb h ILE 147 N 0.49 1.19 -0.90 1.22 1.08 -0.99 -1.49 117.51 118.12 2rkb h ILE 147 Ca 0.10 -0.60 -0.02 0.00 -0.39 0.00 0.00 64.86 63.95 2rkb h ILE 147 Cb 0.35 1.40 -0.04 0.00 -3.07 0.00 0.00 36.82 35.45 2rkb h ILE 147 CO 0.01 0.17 0.48 -0.50 -0.69 0.00 0.00 178.15 177.63 2rkb h TRP 148 N -0.03 1.24 -0.56 1.37 6.55 -1.05 0.63 115.95 124.10 2rkb h TRP 148 Ca 0.03 -0.04 -0.00 0.00 0.95 0.00 0.00 58.89 59.84 2rkb h TRP 148 Cb 0.25 -0.39 -0.03 0.00 -0.86 0.00 0.00 29.16 28.13 2rkb h TRP 148 CO 0.01 0.86 0.34 -0.22 -1.05 0.00 0.00 178.44 178.38 2rkb h LYS 149 N 1.26 0.75 0.21 0.49 3.11 -0.81 0.17 116.57 121.75 2rkb h LYS 149 Ca 0.31 -0.07 -0.01 0.00 -2.81 0.00 0.00 60.65 58.08 2rkb h LYS 149 Cb 0.04 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.12 2rkb h LYS 149 CO -0.05 0.54 -0.10 0.78 -2.81 0.00 0.00 179.45 177.81 2rkb h GLY 150 N 0.75 -0.29 0.59 5.01 0.00 -0.53 -2.73 103.07 105.87 2rkb h GLY 150 Ca 0.20 0.11 0.11 0.00 0.00 0.00 0.00 47.33 47.75 2rkb h GLY 150 CO -0.04 -0.11 0.61 0.45 0.00 0.00 0.00 176.54 177.45 2rkb h HIS 151 N -0.41 1.05 -1.35 5.60 3.86 -0.60 -1.39 115.15 121.91 2rkb h HIS 151 Ca -0.03 0.03 0.41 0.00 -1.16 0.00 0.00 60.37 59.62 2rkb h HIS 151 Cb 0.31 -0.34 -0.10 0.00 1.06 0.00 0.00 27.41 28.35 2rkb h HIS 151 CO -0.03 0.45 0.92 0.00 0.86 0.00 0.00 177.93 180.13 2rkb h ALA 152 N 1.54 2.91 -1.07 2.45 0.00 -0.34 0.30 119.26 125.06 2rkb h ALA 152 Ca 0.46 0.04 0.30 0.00 0.00 0.00 0.00 54.91 55.71 2rkb h ALA 152 Cb 0.46 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 2rkb h ALA 152 CO -0.22 -1.43 0.76 0.66 0.00 0.00 0.00 179.25 179.01 2rkb h SER 153 N 0.11 0.09 -0.64 0.00 4.64 -1.31 0.15 113.55 116.59 2rkb h SER 153 Ca 0.74 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 62.08 2rkb h SER 153 Cb 2.51 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 64.57 2rkb h SER 153 CO -0.24 0.02 0.41 0.25 -0.87 0.00 0.00 176.83 176.40 2rkb h LEU 154 N 0.08 0.75 -0.87 5.97 6.46 -0.60 -1.92 115.31 125.18 2rkb h LEU 154 Ca 0.53 -0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 58.17 2rkb h LEU 154 Cb 1.95 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 41.67 2rkb h LEU 154 CO -0.06 0.56 -0.09 0.58 -0.62 0.00 0.00 178.44 178.81 2rkb h VAL 155 N 0.87 1.25 -0.33 1.05 2.07 -1.14 -2.08 116.25 117.95 2rkb h VAL 155 Ca 0.23 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.68 2rkb h VAL 155 Cb -0.08 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 2rkb h VAL 155 CO -0.05 0.38 0.08 1.56 0.02 0.00 0.00 177.57 179.56 2rkb h GLN 156 N 0.68 0.19 -0.23 1.57 1.08 -1.24 0.64 115.11 117.81 2rkb h GLN 156 Ca 0.12 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.28 2rkb h GLN 156 Cb 0.55 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 2rkb h GLN 156 CO 0.03 0.13 -0.00 0.93 -0.95 0.00 0.00 178.83 178.97 2rkb h GLU 157 N 0.20 0.33 -0.06 1.46 5.08 -1.05 0.02 114.58 120.55 2rkb h GLU 157 Ca 0.15 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2rkb h GLU 157 Cb 0.16 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2rkb h GLU 157 CO -0.19 0.36 0.00 -0.07 -1.00 0.00 0.00 179.01 178.12 2rkb h LEU 158 N 0.33 0.11 -1.77 1.33 4.07 -0.54 -1.82 115.31 117.01 2rkb h LEU 158 Ca 0.08 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.75 2rkb h LEU 158 Cb 0.22 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 2rkb h LEU 158 CO 0.01 0.37 0.14 0.50 -1.08 0.00 0.00 178.44 178.38 2rkb h LYS 159 N -0.16 0.30 -0.03 1.13 3.11 -0.28 0.29 116.57 120.92 2rkb h LYS 159 Ca 0.02 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 2rkb h LYS 159 Cb 0.31 -0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 31.48 2rkb h LYS 159 CO 0.00 0.20 -0.02 0.00 -2.81 0.00 0.00 179.45 176.83 2rkb h ALA 160 N 1.85 0.04 0.19 5.00 0.00 -0.70 -3.31 119.26 122.34 2rkb h ALA 160 Ca 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2rkb h ALA 160 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2rkb h ALA 160 CO -0.02 -0.22 -0.09 0.28 0.00 0.00 0.00 179.25 179.20 2rkb h VAL 161 N -0.36 0.00 -1.53 0.00 2.07 -0.88 -3.38 116.25 112.18 2rkb h VAL 161 Ca 0.01 -0.53 -0.62 0.00 0.82 0.00 0.00 66.70 66.38 2rkb h VAL 161 Cb 0.47 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.12 2rkb h VAL 161 CO 0.01 0.00 1.29 -0.76 0.02 0.00 0.00 177.57 178.13 2rkb s LEU 162 N -7.52 3.89 0.41 2.57 1.43 0.97 -4.82 118.68 115.61 2rkb s LEU 162 Ca -0.04 -1.54 0.25 0.00 -1.03 0.00 0.00 54.13 51.77 2rkb s LEU 162 Cb 0.00 -2.52 1.30 0.00 0.03 0.00 0.00 46.19 45.00 2rkb s LEU 162 CO 0.11 -1.41 1.67 0.08 0.23 0.00 0.00 176.35 177.03 2rkb h ARG 163 N 9.56 0.19 -6.25 1.70 -0.00 -1.74 -3.39 114.38 114.44 2rkb h ARG 163 Ca 0.16 -0.01 -0.65 0.00 -0.00 0.00 0.00 59.98 59.48 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 1.34 0.13 -0.64 0.95 -0.00 0.00 0.00 179.97 181.75 2rkb s THR 164 N -5.40 4.24 0.42 0.08 -4.23 -1.26 -4.95 115.64 104.54 2rkb s THR 164 Ca -0.08 -0.84 -0.24 0.00 -1.18 0.00 0.00 61.69 59.34 2rkb s THR 164 Cb 0.29 -3.01 -0.11 0.00 1.34 0.00 0.00 72.50 71.01 2rkb s THR 164 CO 0.81 0.16 1.04 -2.65 -0.54 0.00 0.00 174.62 173.44 2rkb n PRO 165 N 0.66 1.40 -2.23 3.99 -0.02 -1.26 -5.01 135.00 132.53 2rkb n PRO 165 Ca -0.11 0.50 -0.28 0.00 -2.02 0.00 0.00 63.50 61.60 2rkb n PRO 165 Cb 0.52 -2.07 0.03 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 -2.03 3.10 0.34 0.52 0.04 -1.26 -4.91 135.00 130.80 2rkb s PRO 166 Ca 0.63 0.25 0.12 0.00 0.04 0.00 0.00 61.00 62.03 2rkb s PRO 166 Cb -0.56 -2.20 0.61 0.00 0.04 0.00 0.00 34.50 32.40 2rkb s PRO 166 CO 0.57 -0.69 1.77 0.78 0.04 0.00 0.00 177.00 179.47 2rkb h GLY 167 N -0.25 0.03 -3.00 0.56 0.00 -0.03 -3.46 103.07 96.91 2rkb h GLY 167 Ca -0.45 -0.03 0.07 0.00 0.00 0.00 0.00 47.33 46.92 2rkb h GLY 167 CO 0.62 0.02 0.37 0.00 0.00 0.00 0.00 176.54 177.55 2rkb s ALA 168 N -4.06 -1.67 -0.06 3.60 0.00 -1.19 -4.32 121.76 114.05 2rkb s ALA 168 Ca -0.03 0.61 0.03 0.00 0.00 0.00 0.00 51.96 52.57 2rkb s ALA 168 Cb 0.14 0.65 0.01 0.00 0.00 0.00 0.00 23.12 23.92 2rkb s ALA 168 CO 0.74 -0.79 -0.13 -1.17 0.00 0.00 0.00 175.76 174.42 2rkb s LEU 169 N -2.67 1.70 -0.16 0.00 2.96 -0.38 -0.97 118.68 119.16 2rkb s LEU 169 Ca 0.05 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.66 2rkb s LEU 169 Cb -0.01 -0.83 0.00 0.00 0.50 0.00 0.00 46.19 45.85 2rkb s LEU 169 CO -0.08 0.05 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.15 2rkb s VAL 170 N 0.55 2.50 0.06 1.68 1.01 0.12 -0.17 120.40 126.15 2rkb s VAL 170 Ca -0.13 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 2rkb s VAL 170 Cb -0.15 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 2rkb s VAL 170 CO 0.03 0.52 0.08 -1.48 0.00 0.00 0.00 175.10 174.26 2rkb s LEU 171 N 0.95 1.92 0.51 3.92 -0.00 -0.96 -0.47 118.68 124.56 2rkb s LEU 171 Ca -0.03 -0.78 -0.02 0.00 -0.00 0.00 0.00 54.13 53.30 2rkb s LEU 171 Cb -0.15 0.62 0.00 0.00 -0.00 0.00 0.00 46.19 46.67 2rkb s LEU 171 CO -0.03 -0.64 0.77 0.00 -0.00 0.00 0.00 176.35 176.45 2rkb s ALA 172 N -3.69 3.58 -0.12 1.48 0.00 -1.26 -0.40 121.76 121.35 2rkb s ALA 172 Ca 0.04 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 2rkb s ALA 172 Cb 0.05 -2.33 0.03 0.00 0.00 0.00 0.00 23.12 20.88 2rkb s ALA 172 CO -0.10 -0.56 -0.05 0.08 0.00 0.00 0.00 175.76 175.14 2rkb s VAL 173 N -2.74 0.89 0.00 0.00 1.01 0.04 -4.73 120.40 114.88 2rkb s VAL 173 Ca 0.51 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.19 2rkb s VAL 173 Cb -0.10 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.28 2rkb s VAL 173 CO 0.41 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.38 2rkb n GLY 174 N 4.98 -0.09 0.15 4.51 0.00 -1.26 -4.79 105.19 108.69 2rkb n GLY 174 Ca -0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 2.54 -0.14 0.00 -0.02 0.00 -1.26 -4.11 105.19 102.20 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 1.17 0.74 0.39 -0.02 0.00 -1.26 0.64 105.19 106.85 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 -0.86 1.10 -0.02 0.00 -1.91 -0.54 103.07 100.83 2rkb h GLY 177 Ca 0.00 0.42 0.04 0.00 0.00 0.00 0.00 47.33 47.79 2rkb h GLY 177 CO 0.00 -0.30 0.52 -2.00 0.00 0.00 0.00 176.54 174.76 2rkb h LEU 178 N -0.75 0.84 0.84 3.11 5.85 -1.90 -0.90 115.31 122.39 2rkb h LEU 178 Ca -0.03 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 2rkb h LEU 178 Cb 0.68 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.52 2rkb h LEU 178 CO -0.06 0.57 -0.40 0.25 -0.34 0.00 0.00 178.44 178.46 2rkb h LEU 179 N 0.97 -0.95 -1.53 2.25 6.46 -1.76 -0.49 115.31 120.26 2rkb h LEU 179 Ca 0.32 0.03 0.20 0.00 -0.12 0.00 0.00 57.88 58.31 2rkb h LEU 179 Cb 0.05 0.25 -0.06 0.00 -0.73 0.00 0.00 40.66 40.16 2rkb h LEU 179 CO -0.09 -0.64 0.58 0.00 -0.62 0.00 0.00 178.44 177.67 2rkb h ALA 180 N -1.40 2.21 -0.09 1.25 0.00 -0.98 0.55 119.26 120.80 2rkb h ALA 180 Ca -0.11 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2rkb h ALA 180 Cb 0.86 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2rkb h ALA 180 CO 0.19 -0.48 -0.03 0.78 0.00 0.00 0.00 179.25 179.71 2rkb h GLY 181 N 0.40 0.20 1.49 0.00 0.00 -0.88 0.21 103.07 104.48 2rkb h GLY 181 Ca 0.45 -0.17 -0.14 0.00 0.00 0.00 0.00 47.33 47.48 2rkb h GLY 181 CO -0.16 0.15 -0.42 -0.39 0.00 0.00 0.00 176.54 175.72 2rkb h VAL 182 N -0.16 1.30 -0.54 4.60 -1.51 -0.04 0.21 116.25 120.12 2rkb h VAL 182 Ca 0.02 -1.60 0.00 0.00 -1.23 0.00 0.00 66.70 63.90 2rkb h VAL 182 Cb 0.45 1.58 -0.03 0.00 -2.13 0.00 0.00 31.29 31.17 2rkb h VAL 182 CO 0.01 0.50 0.35 0.58 -1.23 0.00 0.00 177.57 177.78 2rkb h VAL 183 N 0.46 1.14 0.25 7.19 2.07 -0.92 1.00 116.25 127.43 2rkb h VAL 183 Ca 0.04 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 2rkb h VAL 183 Cb 0.93 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2rkb h VAL 183 CO 0.08 0.14 -0.18 0.00 0.02 0.00 0.00 177.57 177.64 2rkb h ALA 184 N 1.19 -0.41 -0.46 1.67 0.00 -0.47 -0.92 119.26 119.87 2rkb h ALA 184 Ca 0.20 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.09 2rkb h ALA 184 Cb -0.07 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2rkb h ALA 184 CO -0.04 -0.74 0.17 0.78 0.00 0.00 0.00 179.25 179.42 2rkb h GLY 185 N -0.42 0.61 0.62 0.00 0.00 0.14 -0.52 103.07 103.49 2rkb h GLY 185 Ca -0.02 -0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.26 2rkb h GLY 185 CO 0.00 0.03 0.13 1.41 0.00 0.00 0.00 176.54 178.11 2rkb h LEU 186 N 0.35 0.12 -0.66 3.11 3.38 0.13 -0.31 115.31 121.43 2rkb h LEU 186 Ca 0.21 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.28 2rkb h LEU 186 Cb 0.20 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2rkb h LEU 186 CO -0.21 0.10 0.39 -0.07 0.09 0.00 0.00 178.44 178.74 2rkb h LEU 187 N 0.28 0.60 -0.25 1.67 3.38 -0.52 0.26 115.31 120.73 2rkb h LEU 187 Ca 0.18 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.20 2rkb h LEU 187 Cb 0.18 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2rkb h LEU 187 CO -0.20 0.40 0.07 -0.33 0.09 0.00 0.00 178.44 178.48 2rkb h GLU 188 N 0.73 0.18 -0.16 1.13 5.08 0.21 -2.81 114.58 118.95 2rkb h GLU 188 Ca 0.28 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2rkb h GLU 188 Cb 0.11 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2rkb h GLU 188 CO -0.15 0.12 0.00 1.33 -1.00 0.00 0.00 179.01 179.31 2rkb n VAL 189 N -5.05 0.20 -2.13 3.13 0.24 -0.26 -4.93 118.33 109.53 2rkb n VAL 189 Ca -0.01 -0.32 -0.06 0.00 -2.04 0.00 0.00 64.34 61.91 2rkb n VAL 189 Cb 0.10 0.32 -0.00 0.00 -1.47 0.00 0.00 33.84 32.78 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 1.10 0.15 1.39 7.63 0.00 -0.05 -4.94 105.19 110.48 2rkb n GLY 190 Ca 0.16 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.97 1.50 0.24 1.61 7.02 0.71 -4.76 117.44 119.78 2rkb n TRP 191 Ca -0.06 -1.74 0.09 0.00 -1.02 0.00 0.00 57.50 54.77 2rkb n TRP 191 Cb 0.55 -0.58 0.49 0.00 -2.42 0.00 0.00 31.31 29.34 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 1.10 0.00 -0.02 -0.99 7.50 -1.89 -1.32 115.11 119.49 2rkb h GLN 192 Ca 0.30 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.45 2rkb h GLN 192 Cb 1.77 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.30 2rkb h GLN 192 CO 0.55 0.00 -0.24 0.72 -1.50 0.00 0.00 178.83 178.36 2rkb n HIS 193 N -2.37 0.00 -2.22 2.96 8.25 -1.26 -4.61 115.22 115.97 2rkb n HIS 193 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 2rkb n HIS 193 Cb 0.40 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.47 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 -2.27 3.89 0.47 1.59 1.01 -0.50 -4.90 120.40 119.69 2rkb s VAL 194 Ca 0.25 1.13 -0.23 0.00 0.00 0.00 0.00 61.98 63.12 2rkb s VAL 194 Cb 0.19 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.77 2rkb s VAL 194 CO 0.45 -0.08 1.17 -2.16 0.00 0.00 0.00 175.10 174.48 2rkb s PRO 195 N 3.49 3.71 -0.13 2.72 0.04 -1.26 -4.62 135.00 138.95 2rkb s PRO 195 Ca 0.64 1.78 0.01 0.00 0.04 0.00 0.00 61.00 63.47 2rkb s PRO 195 Cb -0.28 -2.38 -0.01 0.00 0.04 0.00 0.00 34.50 31.87 2rkb s PRO 195 CO 0.23 -0.59 -0.15 0.42 0.04 0.00 0.00 177.00 176.95 2rkb s ILE 196 N -1.55 2.84 -0.48 0.56 1.01 0.65 -1.25 121.20 122.98 2rkb s ILE 196 Ca 0.64 -0.73 -0.15 0.00 0.00 0.00 0.00 60.65 60.41 2rkb s ILE 196 Cb -0.29 -2.18 0.08 0.00 0.01 0.00 0.00 42.46 40.08 2rkb s ILE 196 CO 0.35 0.53 0.40 -0.63 0.00 0.00 0.00 174.94 175.59 2rkb s ILE 197 N 0.41 5.20 -0.47 2.92 1.09 0.76 0.53 121.20 131.64 2rkb s ILE 197 Ca -0.12 -1.12 -0.23 0.00 -1.10 0.00 0.00 60.65 58.08 2rkb s ILE 197 Cb -0.16 -4.13 0.03 0.00 -1.06 0.00 0.00 42.46 37.14 2rkb s ILE 197 CO 0.06 -0.61 0.81 0.00 -0.10 0.00 0.00 174.94 175.10 2rkb s ALA 198 N 1.63 3.27 0.11 9.38 0.00 0.87 -2.26 121.76 134.76 2rkb s ALA 198 Ca 0.04 -1.09 -0.14 0.00 0.00 0.00 0.00 51.96 50.77 2rkb s ALA 198 Cb -0.25 -3.52 -0.07 0.00 0.00 0.00 0.00 23.12 19.29 2rkb s ALA 198 CO 0.06 -2.02 0.51 -1.64 0.00 0.00 0.00 175.76 172.67 2rkb s MET 199 N 3.38 3.97 0.06 0.00 -1.94 0.46 -0.92 119.30 124.31 2rkb s MET 199 Ca 0.29 0.47 -0.13 0.00 -1.71 0.00 0.00 55.69 54.61 2rkb s MET 199 Cb -0.13 -3.03 0.02 0.00 2.01 0.00 0.00 34.83 33.70 2rkb s MET 199 CO 0.21 0.54 0.28 -1.21 -0.01 0.00 0.00 175.02 174.84 2rkb s GLU 200 N -1.71 0.83 -0.05 2.03 2.02 0.05 -0.78 118.70 121.10 2rkb s GLU 200 Ca 0.34 -0.63 -0.02 0.00 0.02 0.00 0.00 54.97 54.68 2rkb s GLU 200 Cb -0.16 0.36 -0.04 0.00 0.10 0.00 0.00 34.13 34.39 2rkb s GLU 200 CO 0.18 -0.27 0.06 0.95 0.02 0.00 0.00 175.26 176.20 2rkb s THR 201 N -2.95 4.66 0.03 3.63 -4.23 -1.26 -0.14 115.64 115.38 2rkb s THR 201 Ca -0.02 -0.28 -0.30 0.00 -1.18 0.00 0.00 61.69 59.91 2rkb s THR 201 Cb 0.01 -3.06 -0.08 0.00 1.34 0.00 0.00 72.50 70.71 2rkb s THR 201 CO -0.06 0.48 1.90 -2.28 -0.54 0.00 0.00 174.62 174.12 2rkb s HIS 202 N -1.06 1.49 0.00 3.99 2.46 0.63 -0.69 115.29 122.11 2rkb s HIS 202 Ca 0.18 -0.30 0.00 0.00 0.47 0.00 0.00 55.06 55.41 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 -5.21 0.00 0.41 -2.47 0.00 0.00 174.74 167.56 2rkb n GLY 203 N 4.44 1.32 2.72 1.59 0.00 -1.26 -4.23 105.19 109.77 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 -0.46 2.57 -1.79 4.61 0.00 0.13 -1.40 120.51 124.17 2rkb n ALA 204 Ca 0.00 -2.00 -0.33 0.00 0.00 0.00 0.00 53.44 51.11 2rkb n ALA 204 Cb 0.00 -0.90 0.05 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.78 3.10 -0.36 0.00 -0.00 -1.08 -4.18 115.22 111.92 2rkb n HIS 205 Ca -0.02 -2.69 0.05 0.00 -0.00 0.00 0.00 57.72 55.05 2rkb n HIS 205 Cb 0.84 -0.98 0.21 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 1.09 -0.38 -0.26 0.00 3.57 -1.87 -0.94 116.94 118.15 2rkb h PHE 207 Ca 0.46 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.97 2rkb h PHE 207 Cb 0.31 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 2rkb h PHE 207 CO -0.00 -0.19 0.10 -0.97 -2.23 0.00 0.00 178.31 175.02 2rkb h ASN 208 N -0.47 0.13 -0.66 0.41 -1.24 -1.88 -0.15 115.58 111.70 2rkb h ASN 208 Ca -0.04 0.02 0.12 0.00 0.71 0.00 0.00 56.30 57.11 2rkb h ASN 208 Cb 0.36 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 39.32 2rkb h ASN 208 CO 0.07 0.11 0.20 0.00 -1.29 0.00 0.00 177.43 176.51 2rkb h ALA 209 N 1.15 0.85 -0.00 1.57 0.00 -1.00 0.19 119.26 122.02 2rkb h ALA 209 Ca 0.11 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2rkb h ALA 209 Cb 0.07 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2rkb h ALA 209 CO -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 179.25 178.88 2rkb h ALA 210 N 1.51 0.00 -0.24 0.00 0.00 -0.50 0.10 119.26 120.14 2rkb h ALA 210 Ca 0.35 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.24 2rkb h ALA 210 Cb 0.53 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 2rkb h ALA 210 CO -0.40 -0.42 -0.23 0.82 0.00 0.00 0.00 179.25 179.02 2rkb h ILE 211 N -0.16 0.41 -0.12 0.00 1.08 -0.03 0.36 117.51 119.06 2rkb h ILE 211 Ca 0.00 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 2rkb h ILE 211 Cb 0.16 0.41 -0.03 0.00 -3.07 0.00 0.00 36.82 34.29 2rkb h ILE 211 CO -0.00 0.00 -0.09 0.74 -0.69 0.00 0.00 178.15 178.11 2rkb h THR 212 N -0.24 0.73 0.00 -0.27 2.02 -0.48 -1.57 112.91 113.10 2rkb h THR 212 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.32 2rkb h THR 212 Cb 0.45 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2rkb h THR 212 CO -0.38 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.51 2rkb n ALA 213 N -2.43 1.79 -1.68 6.16 0.00 0.34 -4.87 120.51 119.83 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 0.15 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.24 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 0.28 0.88 3.58 0.00 0.00 0.12 -4.94 105.19 105.11 2rkb n GLY 214 Ca 0.04 -0.37 -0.05 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.65 0.54 0.33 1.61 -2.85 -0.89 -5.03 119.74 109.81 2rkb s LYS 215 Ca 0.00 -0.22 -0.29 0.00 -1.00 0.00 0.00 55.97 54.46 2rkb s LYS 215 Cb 0.00 0.23 -0.12 0.00 -2.06 0.00 0.00 37.83 35.88 2rkb s LYS 215 CO 0.00 -0.24 1.37 1.28 0.10 0.00 0.00 175.35 177.86 2rkb n LEU 216 N -0.21 3.81 -4.19 2.77 4.77 -1.26 -4.34 117.00 118.36 2rkb n LEU 216 Ca -0.04 1.20 -0.16 0.00 -0.03 0.00 0.00 56.01 56.98 2rkb n LEU 216 Cb 0.60 -1.51 -0.11 0.00 -2.33 0.00 0.00 43.42 40.06 2rkb n LEU 216 CO 0.10 -0.30 -0.43 -0.69 -1.33 0.00 0.00 177.39 174.74 2rkb s VAL 217 N -0.86 1.06 -0.20 4.08 1.01 -1.26 -4.97 120.40 119.25 2rkb s VAL 217 Ca 0.57 -1.59 0.01 0.00 0.00 0.00 0.00 61.98 60.98 2rkb s VAL 217 Cb -0.55 -1.33 0.04 0.00 0.00 0.00 0.00 36.38 34.54 2rkb s VAL 217 CO 0.60 -0.46 -0.10 -0.89 0.00 0.00 0.00 175.10 174.25 2rkb s THR 218 N -2.13 1.63 0.22 3.92 2.01 -1.26 -4.31 115.64 115.72 2rkb s THR 218 Ca 0.05 -1.02 -0.30 0.00 0.31 0.00 0.00 61.69 60.72 2rkb s THR 218 Cb -0.05 -1.72 -0.10 0.00 0.01 0.00 0.00 72.50 70.64 2rkb s THR 218 CO 0.01 0.14 1.43 -0.76 -0.69 0.00 0.00 174.62 174.76 2rkb s LEU 219 N 1.40 4.39 0.28 4.42 1.02 0.33 -4.89 118.68 125.62 2rkb s LEU 219 Ca -0.02 2.58 0.01 0.00 0.02 0.00 0.00 54.13 56.72 2rkb s LEU 219 Cb -0.16 -3.61 0.54 0.00 0.02 0.00 0.00 46.19 42.97 2rkb s LEU 219 CO -0.08 -0.68 1.85 1.55 0.02 0.00 0.00 176.35 179.01 2rkb h PRO 220 N 5.51 0.99 -1.95 1.29 0.13 -1.99 -3.45 132.00 132.53 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 31.93 2rkb h PRO 220 CO 0.80 0.65 0.33 0.16 -0.23 0.00 0.00 178.00 179.71 2rkb s ASP 221 N -5.75 -0.54 -0.30 1.44 1.47 -1.26 -5.13 116.67 106.60 2rkb s ASP 221 Ca -0.12 0.52 -0.22 0.00 1.18 0.00 0.00 52.55 53.91 2rkb s ASP 221 Cb 0.22 0.46 -0.00 0.00 -0.34 0.00 0.00 42.92 43.25 2rkb s ASP 221 CO 0.81 -0.55 0.72 -0.63 0.68 0.00 0.00 175.17 176.20 2rkb s ILE 222 N -1.46 4.86 -0.50 2.11 -1.09 -1.26 -4.90 121.20 118.96 2rkb s ILE 222 Ca -0.06 1.07 0.17 0.00 -2.23 0.00 0.00 60.65 59.59 2rkb s ILE 222 Cb -0.00 -4.07 -0.21 0.00 -1.58 0.00 0.00 42.46 36.59 2rkb s ILE 222 CO 0.04 -0.18 0.58 0.35 -1.23 0.00 0.00 174.94 174.51 2rkb n THR 223 N 5.45 0.00 -2.19 2.92 -2.24 -0.49 -4.99 114.28 112.73 2rkb n THR 223 Ca 0.02 -0.22 -0.36 0.00 -2.27 0.00 0.00 64.05 61.22 2rkb n THR 223 Cb 0.48 0.66 0.01 0.00 -2.10 0.00 0.00 70.33 69.38 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 -3.11 5.69 0.45 3.42 0.15 -1.07 -4.92 113.70 114.31 2rkb s SER 224 Ca 0.02 2.28 0.25 0.00 0.70 0.00 0.00 55.95 59.19 2rkb s SER 224 Cb 0.12 -2.59 0.93 0.00 -1.71 0.00 0.00 66.02 62.76 2rkb s SER 224 CO 0.70 -1.24 1.83 0.58 1.20 0.00 0.00 173.24 176.30 2rkb h VAL 225 N 1.30 0.47 -0.06 4.45 2.07 -1.93 -3.37 116.25 119.18 2rkb h VAL 225 Ca -0.50 -1.08 -0.70 0.00 0.82 0.00 0.00 66.70 65.25 2rkb h VAL 225 Cb 1.27 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 2rkb h VAL 225 CO 0.57 0.19 2.96 0.00 0.02 0.00 0.00 177.57 181.32 2rkb n ALA 226 N -2.20 5.12 -0.33 1.67 0.00 -1.26 -4.80 120.51 118.71 2rkb n ALA 226 Ca 0.00 -3.80 0.23 0.00 0.00 0.00 0.00 53.44 49.87 2rkb n ALA 226 Cb 0.43 -3.56 0.46 0.00 0.00 0.00 0.00 19.45 16.78 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 6.36 0.25 0.00 0.00 1.79 -1.99 0.82 116.57 123.81 2rkb h LYS 227 Ca 0.54 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.00 2rkb h LYS 227 Cb 0.66 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 2rkb h LYS 227 CO 1.87 0.17 0.00 0.43 -1.08 0.00 0.00 179.45 180.83 2rkb n SER 228 N -5.12 0.02 -0.70 0.86 7.64 -1.26 -0.43 113.62 114.63 2rkb n SER 228 Ca 0.31 0.51 0.07 0.00 1.01 0.00 0.00 58.87 60.77 2rkb n SER 228 Cb 0.97 -0.51 0.14 0.00 -1.01 0.00 0.00 64.21 63.79 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 -1.53 2.74 -0.40 -3.43 4.77 0.28 -4.58 117.00 114.86 2rkb n LEU 229 Ca 0.00 -1.58 0.00 0.00 -0.03 0.00 0.00 56.01 54.40 2rkb n LEU 229 Cb 0.03 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2rkb n LEU 229 CO 0.02 0.62 0.12 0.61 -1.33 0.00 0.00 177.39 177.43 2rkb n GLY 230 N 0.77 0.38 3.67 -0.72 0.00 0.42 -4.60 105.19 105.12 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 -1.21 3.65 0.30 4.61 0.00 -1.26 -4.84 121.76 123.01 2rkb s ALA 231 Ca 0.00 1.24 0.24 0.00 0.00 0.00 0.00 51.96 53.44 2rkb s ALA 231 Cb 0.00 -3.77 1.15 0.00 0.00 0.00 0.00 23.12 20.50 2rkb s ALA 231 CO 0.00 -1.33 1.94 0.87 0.00 0.00 0.00 175.76 177.24 2rkb h LYS 232 N 9.33 0.00 -3.68 0.00 1.57 -1.88 -3.40 116.57 118.51 2rkb h LYS 232 Ca -0.45 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 57.97 2rkb h LYS 232 Cb 1.21 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.17 2rkb h LYS 232 CO 0.94 0.20 -0.75 0.99 -0.57 0.00 0.00 179.45 180.26 2rkb s THR 233 N -3.96 0.18 0.57 -0.16 2.01 -1.26 -0.51 115.64 112.51 2rkb s THR 233 Ca -0.01 0.12 -0.18 0.00 0.31 0.00 0.00 61.69 61.93 2rkb s THR 233 Cb 0.12 -0.30 -0.05 0.00 0.01 0.00 0.00 72.50 72.28 2rkb s THR 233 CO 0.62 0.17 1.10 0.54 -0.69 0.00 0.00 174.62 176.36 2rkb s VAL 234 N 1.27 3.38 0.42 3.82 0.11 -1.26 -4.85 120.40 123.29 2rkb s VAL 234 Ca -0.06 0.78 -0.25 0.00 -2.93 0.00 0.00 61.98 59.51 2rkb s VAL 234 Cb -0.13 -3.29 -0.08 0.00 -1.53 0.00 0.00 36.38 31.35 2rkb s VAL 234 CO -0.02 -0.27 1.29 0.00 -3.33 0.00 0.00 175.10 172.77 2rkb s ALA 235 N -2.03 3.19 0.23 1.54 0.00 0.21 -4.91 121.76 119.98 2rkb s ALA 235 Ca 0.69 1.20 -0.06 0.00 0.00 0.00 0.00 51.96 53.79 2rkb s ALA 235 Cb -0.21 -3.48 0.34 0.00 0.00 0.00 0.00 23.12 19.78 2rkb s ALA 235 CO 0.30 -0.84 1.80 0.00 0.00 0.00 0.00 175.76 177.02 2rkb h ALA 236 N 2.50 1.07 -0.62 0.00 0.00 -1.93 -1.10 119.26 119.17 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 1.25 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 2rkb h ALA 236 CO 0.62 0.06 0.42 -0.09 0.00 0.00 0.00 179.25 180.26 2rkb h ARG 237 N 0.73 0.40 -0.15 0.00 9.65 -1.95 -1.23 114.38 121.83 2rkb h ARG 237 Ca 0.36 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.22 2rkb h ARG 237 Cb 0.32 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 2rkb h ARG 237 CO -0.24 0.26 0.08 0.00 2.80 0.00 0.00 179.97 182.88 2rkb h ALA 238 N 1.69 0.19 -0.51 2.80 0.00 -1.49 0.15 119.26 122.09 2rkb h ALA 238 Ca 0.29 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 2rkb h ALA 238 Cb 0.59 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2rkb h ALA 238 CO -0.08 -0.27 0.11 1.25 0.00 0.00 0.00 179.25 180.25 2rkb h LEU 239 N 0.14 0.73 -0.99 0.00 5.85 -1.25 -2.29 115.31 117.50 2rkb h LEU 239 Ca 0.05 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 2rkb h LEU 239 Cb 0.07 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2rkb h LEU 239 CO -0.01 0.73 -0.18 -0.08 -0.34 0.00 0.00 178.44 178.56 2rkb h GLU 240 N 0.75 0.52 0.00 1.25 4.81 -0.76 -2.64 114.58 118.51 2rkb h GLU 240 Ca 0.17 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2rkb h GLU 240 Cb 0.30 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2rkb h GLU 240 CO 0.00 0.68 0.03 0.00 -0.73 0.00 0.00 179.01 178.99 2rkb h MET 242 N 0.00 0.00 0.00 0.00 2.86 -1.53 -0.88 114.93 115.38 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 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2rkb h MET 242 CO 0.00 0.00 -1.40 1.04 1.06 0.00 0.00 176.91 177.61 2rkb n GLN 243 N -3.06 0.63 -0.05 1.72 1.13 0.30 -4.40 117.38 113.65 2rkb n GLN 243 Ca -0.02 0.10 -0.04 0.00 -1.94 0.00 0.00 57.00 55.09 2rkb n GLN 243 Cb 0.15 -1.75 -0.14 0.00 0.11 0.00 0.00 30.24 28.60 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 -2.68 1.15 -4.14 5.09 3.14 -0.67 -4.99 118.33 115.23 2rkb n VAL 244 Ca -0.06 -0.76 -0.12 0.00 -2.96 0.00 0.00 64.34 60.44 2rkb n VAL 244 Cb 0.69 -0.52 -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 -2.93 3.74 -0.11 0.00 2.47 -1.26 -4.52 119.74 117.13 2rkb s LYS 246 Ca 0.04 0.67 0.03 0.00 -1.56 0.00 0.00 55.97 55.14 2rkb s LYS 246 Cb -0.01 -3.91 -0.01 0.00 -1.46 0.00 0.00 37.83 32.45 2rkb s LYS 246 CO -0.02 -1.36 -0.21 0.42 0.16 0.00 0.00 175.35 174.34 2rkb s ILE 247 N 4.52 2.35 -0.38 5.43 1.01 -1.26 -0.26 121.20 132.61 2rkb s ILE 247 Ca 0.50 -0.92 -0.10 0.00 0.00 0.00 0.00 60.65 60.13 2rkb s ILE 247 Cb -0.08 -1.92 0.04 0.00 0.01 0.00 0.00 42.46 40.50 2rkb s ILE 247 CO 0.30 0.55 0.20 -1.00 0.00 0.00 0.00 174.94 175.00 2rkb s HIS 248 N 0.30 3.27 -0.21 3.97 3.76 0.19 -4.96 115.29 121.60 2rkb s HIS 248 Ca -0.15 -1.18 -0.24 0.00 -0.15 0.00 0.00 55.06 53.34 2rkb s HIS 248 Cb -0.17 -2.53 -0.01 0.00 1.11 0.00 0.00 32.58 30.98 2rkb s HIS 248 CO 0.08 -0.71 0.80 0.45 -0.85 0.00 0.00 174.74 174.51 2rkb s SER 249 N 1.66 6.85 -0.03 1.40 0.15 -1.26 -0.09 113.70 122.38 2rkb s SER 249 Ca 0.01 1.05 0.04 0.00 0.70 0.00 0.00 55.95 57.76 2rkb s SER 249 Cb -0.20 -2.43 -0.01 0.00 -1.71 0.00 0.00 66.02 61.67 2rkb s SER 249 CO 0.05 -0.45 -0.16 -1.61 1.20 0.00 0.00 173.24 172.28 2rkb s GLU 250 N 2.50 1.49 -0.08 5.44 0.41 -0.10 -4.96 118.70 123.40 2rkb s GLU 250 Ca 0.35 -0.56 0.04 0.00 -0.41 0.00 0.00 54.97 54.39 2rkb s GLU 250 Cb -0.16 -1.36 -0.01 0.00 -1.78 0.00 0.00 34.13 30.82 2rkb s GLU 250 CO 0.09 0.27 -0.21 0.08 -0.49 0.00 0.00 175.26 175.00 2rkb s VAL 251 N -0.10 2.41 0.19 2.63 1.01 -1.26 -0.77 120.40 124.51 2rkb s VAL 251 Ca 0.00 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.13 2rkb s VAL 251 Cb -0.09 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 2rkb s VAL 251 CO 0.01 0.56 -0.14 0.68 0.00 0.00 0.00 175.10 176.21 2rkb s VAL 252 N -0.03 1.67 0.65 2.92 -7.23 0.80 -4.85 120.40 114.33 2rkb s VAL 252 Ca -0.06 -2.14 -0.15 0.00 -1.81 0.00 0.00 61.98 57.82 2rkb s VAL 252 Cb -0.15 -1.97 -0.00 0.00 0.56 0.00 0.00 36.38 34.82 2rkb s VAL 252 CO 0.05 -0.57 1.12 -1.61 -0.31 0.00 0.00 175.10 173.77 2rkb s GLU 253 N -3.51 2.81 0.34 4.82 0.41 -1.26 -0.27 118.70 122.04 2rkb s GLU 253 Ca 0.20 1.42 0.04 0.00 -0.41 0.00 0.00 54.97 56.23 2rkb s GLU 253 Cb -0.01 -1.95 0.66 0.00 -1.78 0.00 0.00 34.13 31.05 2rkb s GLU 253 CO 0.06 -1.25 1.94 -0.44 -0.49 0.00 0.00 175.26 175.08 2rkb h ASP 254 N 0.10 0.76 -0.96 -0.19 3.32 -1.95 -0.94 116.42 116.55 2rkb h ASP 254 Ca -0.47 0.01 0.09 0.00 0.02 0.00 0.00 57.03 56.67 2rkb h ASP 254 Cb 1.25 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 40.57 2rkb h ASP 254 CO 0.54 0.49 0.62 0.71 -1.72 0.00 0.00 179.24 179.88 2rkb h THR 255 N 0.86 1.01 -0.22 0.35 1.35 -1.94 0.14 112.91 114.46 2rkb h THR 255 Ca 0.35 -0.36 -0.13 0.00 -0.55 0.00 0.00 66.41 65.72 2rkb h THR 255 Cb 0.24 -0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 66.54 2rkb h THR 255 CO -0.12 0.19 -0.41 -0.33 -0.25 0.00 0.00 175.52 174.60 2rkb h GLU 256 N 1.04 0.53 -0.23 4.72 5.08 -1.54 0.20 114.58 124.38 2rkb h GLU 256 Ca 0.44 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 2rkb h GLU 256 Cb 0.31 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2rkb h GLU 256 CO -0.19 0.85 -0.12 0.00 -1.00 0.00 0.00 179.01 178.54 2rkb h ALA 257 N 1.12 0.32 -0.31 3.43 0.00 -0.78 -1.74 119.26 121.30 2rkb h ALA 257 Ca 0.04 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 2rkb h ALA 257 Cb 0.90 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2rkb h ALA 257 CO 0.08 0.18 -0.10 0.28 0.00 0.00 0.00 179.25 179.70 2rkb h VAL 258 N 0.19 1.28 -0.81 0.00 2.07 -0.71 -1.82 116.25 116.46 2rkb h VAL 258 Ca 0.05 -1.16 0.16 0.00 0.82 0.00 0.00 66.70 66.57 2rkb h VAL 258 Cb 0.63 1.39 -0.10 0.00 -1.52 0.00 0.00 31.29 31.69 2rkb h VAL 258 CO 0.04 0.37 0.35 -1.28 0.02 0.00 0.00 177.57 177.07 2rkb h SER 259 N 0.38 0.35 -0.43 0.57 0.87 -0.57 -0.46 113.55 114.26 2rkb h SER 259 Ca 0.08 0.11 -0.13 0.00 -1.23 0.00 0.00 61.79 60.62 2rkb h SER 259 Cb 0.60 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 2rkb h SER 259 CO 0.03 0.11 -0.23 0.00 -0.53 0.00 0.00 176.83 176.21 2rkb h ALA 260 N 1.59 0.60 -0.53 6.23 0.00 -1.02 -2.23 119.26 123.90 2rkb h ALA 260 Ca 0.46 -0.39 0.08 0.00 0.00 0.00 0.00 54.91 55.05 2rkb h ALA 260 Cb 0.72 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 2rkb h ALA 260 CO -0.42 0.60 0.19 0.28 0.00 0.00 0.00 179.25 179.89 2rkb h VAL 261 N 0.74 0.80 -0.33 0.00 2.07 -0.26 0.23 116.25 119.51 2rkb h VAL 261 Ca 0.09 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2rkb h VAL 261 Cb 0.81 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2rkb h VAL 261 CO 0.07 0.07 0.17 -0.61 0.02 0.00 0.00 177.57 177.29 2rkb h GLN 262 N 0.36 0.46 -0.43 1.57 5.75 -1.11 -1.70 115.11 120.02 2rkb h GLN 262 Ca 0.26 -0.06 -0.13 0.00 -0.15 0.00 0.00 58.65 58.57 2rkb h GLN 262 Cb 0.30 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 2rkb h GLN 262 CO -0.27 0.40 -0.26 1.96 -2.65 0.00 0.00 178.83 178.01 2rkb h GLN 263 N 0.40 0.93 -0.58 1.69 4.20 -0.79 -2.16 115.11 118.81 2rkb h GLN 263 Ca 0.11 -0.43 0.01 0.00 0.06 0.00 0.00 58.65 58.40 2rkb h GLN 263 Cb 0.08 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 2rkb h GLN 263 CO -0.02 1.09 0.38 1.25 -0.67 0.00 0.00 178.83 180.86 2rkb h LEU 264 N 0.76 0.65 -0.02 1.46 7.12 -0.45 0.46 115.31 125.30 2rkb h LEU 264 Ca 0.09 -0.02 -0.00 0.00 0.13 0.00 0.00 57.88 58.08 2rkb h LEU 264 Cb 0.83 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 40.80 2rkb h LEU 264 CO 0.07 0.47 0.00 0.25 -0.13 0.00 0.00 178.44 179.11 2rkb h LEU 265 N 0.77 0.03 -0.50 2.25 5.85 -0.95 0.14 115.31 122.90 2rkb h LEU 265 Ca 0.21 -0.23 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 2rkb h LEU 265 Cb -0.08 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2rkb h LEU 265 CO -0.05 0.25 -0.19 0.44 -0.34 0.00 0.00 178.44 178.55 2rkb h ASP 266 N -0.19 1.03 0.04 1.25 3.32 -0.71 0.28 116.42 121.45 2rkb h ASP 266 Ca 0.01 -0.38 -0.14 0.00 0.02 0.00 0.00 57.03 56.53 2rkb h ASP 266 Cb 0.23 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.51 2rkb h ASP 266 CO 0.00 1.18 -0.58 0.44 -1.72 0.00 0.00 179.24 178.56 2rkb h ASP 267 N 0.87 0.44 -0.05 6.45 3.32 -0.08 -3.37 116.42 124.01 2rkb h ASP 267 Ca 0.12 -0.83 0.00 0.00 0.02 0.00 0.00 57.03 56.33 2rkb h ASP 267 Cb 0.77 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2rkb h ASP 267 CO 0.06 1.22 0.00 -0.62 -1.72 0.00 0.00 179.24 178.19 2rkb n GLU 268 N -4.25 2.08 -3.78 3.56 -0.58 0.48 -4.93 120.64 113.22 2rkb n GLU 268 Ca -0.11 -2.24 -0.24 0.00 -0.42 0.00 0.00 57.16 54.15 2rkb n GLU 268 Cb 0.68 -1.37 -0.02 0.00 -0.57 0.00 0.00 31.44 30.16 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 -0.93 -0.74 -3.70 3.49 1.85 1.00 -4.94 116.66 112.69 2rkb n ARG 269 Ca 0.11 -0.08 -0.17 0.00 -1.00 0.00 0.00 57.85 56.71 2rkb n ARG 269 Cb 0.53 -1.52 -0.16 0.00 -1.05 0.00 0.00 32.46 30.26 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 -6.07 -0.01 -0.31 2.89 0.23 -1.25 -5.01 119.30 109.77 2rkb s MET 270 Ca 0.16 0.39 -0.22 0.00 -1.03 0.00 0.00 55.69 54.99 2rkb s MET 270 Cb -0.09 -0.34 -0.00 0.00 -1.53 0.00 0.00 34.83 32.87 2rkb s MET 270 CO 0.58 -0.27 0.72 -1.17 -2.03 0.00 0.00 175.02 172.86 2rkb s LEU 271 N 1.83 4.11 0.35 0.18 2.96 -1.26 -3.81 118.68 123.05 2rkb s LEU 271 Ca -0.01 0.56 0.09 0.00 -0.22 0.00 0.00 54.13 54.55 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 -0.04 -0.56 -0.02 0.68 -1.32 0.00 0.00 176.35 175.09 2rkb s VAL 272 N 2.81 2.39 0.63 1.68 -7.23 -1.26 -4.91 120.40 114.52 2rkb s VAL 272 Ca 0.29 -2.04 -0.15 0.00 -1.81 0.00 0.00 61.98 58.27 2rkb s VAL 272 Cb -0.14 -2.78 -0.02 0.00 0.56 0.00 0.00 36.38 34.00 2rkb s VAL 272 CO 0.12 -0.16 1.09 -1.61 -0.31 0.00 0.00 175.10 174.22 2rkb s GLU 273 N -3.69 3.03 0.35 4.82 2.02 -0.48 -4.82 118.70 119.93 2rkb s GLU 273 Ca 0.34 1.30 0.11 0.00 0.02 0.00 0.00 54.97 56.75 2rkb s GLU 273 Cb 0.02 -1.99 0.91 0.00 0.10 0.00 0.00 34.13 33.17 2rkb s GLU 273 CO 0.18 -1.06 1.78 -1.35 0.02 0.00 0.00 175.26 174.84 2rkb h PRO 274 N 0.19 0.57 -0.95 0.39 0.11 -1.88 0.30 132.00 130.73 2rkb h PRO 274 Ca -0.47 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.68 2rkb h PRO 274 Cb 1.23 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.15 2rkb h PRO 274 CO 0.56 0.38 0.61 0.00 -0.21 0.00 0.00 178.00 179.34 2rkb h ALA 275 N 1.64 1.50 0.00 -0.75 0.00 -1.91 0.16 119.26 119.90 2rkb h ALA 275 Ca 0.57 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.31 2rkb h ALA 275 Cb 1.14 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2rkb h ALA 275 CO -0.34 0.34 -0.75 0.00 0.00 0.00 0.00 179.25 178.51 2rkb h GLY 277 N 2.45 0.00 1.18 0.00 0.00 0.95 -1.01 103.07 106.63 2rkb h GLY 277 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 2rkb h GLY 277 CO 0.10 0.00 0.34 0.00 0.00 0.00 0.00 176.54 176.97 2rkb h ALA 278 N 1.81 1.21 -0.02 3.60 0.00 -0.94 0.15 119.26 125.07 2rkb h ALA 278 Ca -0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2rkb h ALA 278 Cb 0.37 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2rkb h ALA 278 CO 0.02 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.87 2rkb h ALA 279 N 1.32 0.02 0.00 0.00 0.00 -1.28 -2.81 119.26 116.52 2rkb h ALA 279 Ca 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2rkb h ALA 279 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2rkb h ALA 279 CO -0.03 -0.32 0.00 -0.07 0.00 0.00 0.00 179.25 178.83 2rkb h LEU 280 N -0.25 0.00 -2.37 0.00 3.38 -1.06 -2.09 115.31 112.92 2rkb h LEU 280 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2rkb h LEU 280 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2rkb h LEU 280 CO 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 178.44 178.50 2rkb h ALA 281 N 2.03 1.13 -0.77 1.53 0.00 -0.43 -0.62 119.26 122.13 2rkb h ALA 281 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2rkb h ALA 281 Cb 0.34 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2rkb h ALA 281 CO 0.00 0.04 0.45 0.00 0.00 0.00 0.00 179.25 179.73 2rkb h ALA 282 N 1.97 1.34 0.00 0.00 0.00 -1.45 0.13 119.26 121.25 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 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2rkb h ALA 282 CO 0.00 0.56 -0.02 0.82 0.00 0.00 0.00 179.25 180.62 2rkb h ILE 283 N 1.06 0.00 -0.99 0.00 1.08 -1.34 -1.88 117.51 115.45 2rkb h ILE 283 Ca 0.28 -0.14 0.27 0.00 -0.39 0.00 0.00 64.86 64.87 2rkb h ILE 283 Cb -0.02 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 33.67 2rkb h ILE 283 CO -0.05 0.00 0.69 1.88 -0.69 0.00 0.00 178.15 179.98 2rkb h TYR 284 N -0.14 0.23 -0.30 1.37 0.99 -1.42 0.41 116.97 118.12 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 0.02 -0.07 0.00 0.00 1.00 0.00 0.00 36.73 37.68 2rkb h TYR 284 CO -0.01 0.04 0.00 0.43 -0.00 0.00 0.00 178.16 178.62 2rkb n SER 285 N -4.37 2.35 0.00 3.88 7.64 0.47 -4.94 113.62 118.65 2rkb n SER 285 Ca 0.22 -1.86 0.00 0.00 1.01 0.00 0.00 58.87 58.24 2rkb n SER 285 Cb 0.96 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 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 1.26 0.54 0.17 0.23 0.00 0.13 -4.93 105.19 102.59 2rkb n GLY 286 Ca 0.17 0.00 -0.04 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 -0.11 -1.11 0.99 -0.00 -1.57 1.00 115.31 114.51 2rkb h LEU 287 Ca 0.00 0.09 0.04 0.00 -0.00 0.00 0.00 57.88 58.01 2rkb h LEU 287 Cb 0.07 0.15 -0.05 0.00 -0.00 0.00 0.00 40.66 40.82 2rkb h LEU 287 CO 0.00 -0.02 0.60 -0.07 -0.00 0.00 0.00 178.44 178.95 2rkb h LEU 288 N 0.14 0.98 -0.16 1.67 4.07 -1.68 0.33 115.31 120.67 2rkb h LEU 288 Ca 0.21 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.13 2rkb h LEU 288 Cb 0.28 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 2rkb h LEU 288 CO -0.32 0.67 -0.01 0.03 -1.08 0.00 0.00 178.44 177.73 2rkb h ARG 289 N 1.14 0.29 0.06 1.13 2.47 -1.56 -1.50 114.38 116.41 2rkb h ARG 289 Ca 0.37 -0.10 0.01 0.00 -1.26 0.00 0.00 59.98 59.00 2rkb h ARG 289 Cb 0.04 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 2rkb h ARG 289 CO -0.12 0.53 -0.09 -0.09 0.56 0.00 0.00 179.97 180.76 2rkb h ARG 290 N 0.02 -0.17 -0.80 0.04 2.43 -0.12 0.19 114.38 115.96 2rkb h ARG 290 Ca 0.04 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.31 2rkb h ARG 290 Cb 0.40 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.94 2rkb h ARG 290 CO 0.01 -0.12 0.52 -0.07 -1.51 0.00 0.00 179.97 178.81 2rkb h LEU 291 N -0.18 0.72 -0.33 3.80 3.38 -0.34 0.68 115.31 123.04 2rkb h LEU 291 Ca 0.02 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 2rkb h LEU 291 Cb 0.19 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2rkb h LEU 291 CO -0.05 0.44 -0.18 1.56 0.09 0.00 0.00 178.44 180.31 2rkb h GLN 292 N 0.81 0.70 0.06 1.13 4.20 -0.47 0.28 115.11 121.81 2rkb h GLN 292 Ca 0.36 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2rkb h GLN 292 Cb 0.35 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2rkb h GLN 292 CO -0.14 0.92 -0.03 0.00 -0.67 0.00 0.00 178.83 178.91 2rkb h ALA 293 N 0.77 -0.08 0.00 3.87 0.00 0.93 -1.75 119.26 123.00 2rkb h ALA 293 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2rkb h ALA 293 Cb 0.71 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2rkb h ALA 293 CO 0.05 -0.46 0.00 0.39 0.00 0.00 0.00 179.25 179.23 2rkb n GLU 294 N -5.05 0.07 -0.58 0.00 1.02 0.22 -4.82 120.64 111.51 2rkb n GLU 294 Ca -0.08 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 2rkb n GLU 294 Cb 0.13 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 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 -1.29 0.77 0.15 0.62 0.00 -0.66 -4.92 105.19 99.86 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 -0.69 -0.41 0.32 0.00 1.43 -1.18 -4.89 118.68 113.26 2rkb s LEU 297 Ca 0.00 1.18 -0.28 0.00 -1.03 0.00 0.00 54.13 54.00 2rkb s LEU 297 Cb 0.00 2.19 -0.13 0.00 0.03 0.00 0.00 46.19 48.28 2rkb s LEU 297 CO 0.00 -0.27 1.17 -0.81 0.23 0.00 0.00 176.35 176.67 2rkb n PRO 298 N 2.47 1.80 0.10 1.29 -0.04 -1.26 -4.62 135.00 134.73 2rkb n PRO 298 Ca -0.15 0.63 0.19 0.00 -0.04 0.00 0.00 63.50 64.14 2rkb n PRO 298 Cb 0.56 -2.12 0.76 0.00 -0.04 0.00 0.00 33.50 32.65 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 2.30 0.00 -4.04 0.54 0.11 -1.95 -3.38 132.00 125.58 2rkb h PRO 299 Ca -0.43 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.26 2rkb h PRO 299 Cb 1.31 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 32.08 2rkb h PRO 299 CO 0.62 0.00 -0.78 0.45 -0.21 0.00 0.00 178.00 178.08 2rkb s SER 300 N -5.65 1.07 -0.10 -2.05 0.15 -1.26 -5.13 113.70 100.73 2rkb s SER 300 Ca -0.05 -0.14 0.02 0.00 0.70 0.00 0.00 55.95 56.48 2rkb s SER 300 Cb 0.16 -0.48 0.01 0.00 -1.71 0.00 0.00 66.02 64.01 2rkb s SER 300 CO 0.59 -0.06 -0.15 -0.76 1.20 0.00 0.00 173.24 174.06 2rkb s LEU 301 N 0.99 1.74 0.62 3.45 1.02 -1.26 -4.98 118.68 120.26 2rkb s LEU 301 Ca -0.10 -0.42 0.29 0.00 0.02 0.00 0.00 54.13 53.92 2rkb s LEU 301 Cb -0.14 -1.08 1.52 0.00 0.02 0.00 0.00 46.19 46.51 2rkb s LEU 301 CO -0.00 0.03 1.90 0.00 0.02 0.00 0.00 176.35 178.30 2rkb h THR 302 N 5.94 0.23 0.00 5.49 1.03 -1.94 -3.42 112.91 120.24 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 0.64 0.00 0.00 -1.07 0.00 0.00 68.15 68.90 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 -3.40 0.00 -3.75 0.00 3.41 -1.26 -4.69 113.62 103.93 2rkb n SER 303 Ca 0.04 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.50 2rkb n SER 303 Cb 0.55 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.65 0.74 120.40 114.96 2rkb s VAL 304 Ca 0.00 0.24 -0.10 0.00 -2.93 0.00 0.00 61.98 59.19 2rkb s VAL 304 Cb 0.00 -0.12 -0.05 0.00 -1.53 0.00 0.00 36.38 34.69 2rkb s VAL 304 CO 0.00 0.10 0.15 -0.69 -3.33 0.00 0.00 175.10 171.32 2rkb s VAL 305 N 1.25 5.15 -0.25 2.04 1.01 -0.14 -0.93 120.40 128.52 2rkb s VAL 305 Ca -0.07 0.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.95 2rkb s VAL 305 Cb -0.13 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 2rkb s VAL 305 CO -0.04 0.33 0.05 -0.69 0.00 0.00 0.00 175.10 174.76 2rkb s VAL 306 N 1.23 4.15 -0.41 2.92 1.01 0.39 0.15 120.40 129.84 2rkb s VAL 306 Ca 0.07 -0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.52 2rkb s VAL 306 Cb -0.14 -2.94 0.02 0.00 0.00 0.00 0.00 36.38 33.32 2rkb s VAL 306 CO 0.06 0.35 1.19 -0.63 0.00 0.00 0.00 175.10 176.07 2rkb s ILE 307 N 1.59 4.21 -1.15 2.22 1.01 0.38 -1.21 121.20 128.25 2rkb s ILE 307 Ca 0.06 1.29 -0.17 0.00 0.00 0.00 0.00 60.65 61.83 2rkb s ILE 307 Cb -0.15 -4.44 0.13 0.00 0.01 0.00 0.00 42.46 38.01 2rkb s ILE 307 CO 0.02 -0.80 1.43 -0.69 0.00 0.00 0.00 174.94 174.91 2rkb s VAL 308 N 4.45 4.68 0.54 2.92 1.01 0.19 -4.74 120.40 129.45 2rkb s VAL 308 Ca 0.51 -2.09 0.30 0.00 0.00 0.00 0.00 61.98 60.69 2rkb s VAL 308 Cb -0.10 -4.95 0.46 0.00 0.00 0.00 0.00 36.38 31.78 2rkb s VAL 308 CO 0.28 -1.71 1.92 0.00 0.00 0.00 0.00 175.10 175.59 2rkb n GLY 310 N -1.68 1.77 0.00 0.00 0.00 -1.26 -3.38 105.19 100.64 2rkb n GLY 310 Ca 0.16 -0.20 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 2.50 0.11 -0.02 0.00 -0.78 -1.38 105.19 105.63 2rkb n GLY 311 Ca 0.00 -1.76 -0.15 0.00 0.00 0.00 0.00 46.02 44.11 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 1.42 -3.82 1.61 3.02 -1.26 -4.54 115.26 111.69 2rkb n ASN 312 Ca 0.00 0.24 -0.41 0.00 -0.03 0.00 0.00 54.58 54.38 2rkb n ASN 312 Cb 0.00 -0.34 -0.05 0.00 -0.61 0.00 0.00 39.78 38.79 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 -3.22 2.88 -3.59 6.41 5.15 -1.26 -4.80 115.26 116.83 2rkb n ASN 313 Ca -0.27 -2.71 -0.08 0.00 -0.60 0.00 0.00 54.58 50.91 2rkb n ASN 313 Cb 1.05 -1.31 -0.05 0.00 -0.53 0.00 0.00 39.78 38.95 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 5.65 0.00 0.10 -1.44 1.10 -1.26 -4.80 121.20 120.55 2rkb s ILE 314 Ca 0.58 0.00 -0.27 0.00 -0.51 0.00 0.00 60.65 60.45 2rkb s ILE 314 Cb 0.12 -1.00 0.08 0.00 0.15 0.00 0.00 42.46 41.81 2rkb s ILE 314 CO 0.09 0.00 1.07 0.54 -2.11 0.00 0.00 174.94 174.53 2rkb s ASN 315 N -1.19 -0.13 0.17 4.50 2.20 -1.26 -4.99 114.94 114.24 2rkb s ASN 315 Ca 0.01 -0.32 -0.29 0.00 -0.94 0.00 0.00 52.86 51.32 2rkb s ASN 315 Cb -0.01 0.38 -0.02 0.00 -2.00 0.00 0.00 41.25 39.61 2rkb s ASN 315 CO -0.01 -0.71 1.54 0.28 -2.94 0.00 0.00 177.10 175.27 2rkb h SER 316 N 2.00 -2.01 -0.54 3.54 0.02 -2.02 0.15 113.55 114.69 2rkb h SER 316 Ca -0.26 0.32 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2rkb h SER 316 Cb 1.22 0.91 -0.03 0.00 0.14 0.00 0.00 62.40 64.64 2rkb h SER 316 CO 0.26 -0.25 0.33 0.03 -1.14 0.00 0.00 176.83 176.07 2rkb h ARG 317 N -0.02 0.65 -0.50 3.45 3.08 -1.99 -1.44 114.38 117.61 2rkb h ARG 317 Ca 0.19 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2rkb h ARG 317 Cb 0.45 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2rkb h ARG 317 CO -0.93 0.43 0.31 0.93 -1.07 0.00 0.00 179.97 179.64 2rkb h GLU 318 N 0.67 0.67 -0.88 0.04 4.39 -1.54 0.36 114.58 118.28 2rkb h GLU 318 Ca 0.21 -0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.92 2rkb h GLU 318 Cb -0.01 -0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 28.44 2rkb h GLU 318 CO -0.08 0.47 0.55 1.25 -1.16 0.00 0.00 179.01 180.04 2rkb h LEU 319 N 0.67 0.88 -0.26 1.33 5.85 -0.32 0.26 115.31 123.71 2rkb h LEU 319 Ca 0.18 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 2rkb h LEU 319 Cb -0.03 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2rkb h LEU 319 CO -0.04 0.57 0.15 1.56 -0.34 0.00 0.00 178.44 180.35 2rkb h GLN 320 N 1.02 0.36 -0.05 1.25 1.08 -0.42 0.19 115.11 118.54 2rkb h GLN 320 Ca 0.38 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.57 2rkb h GLN 320 Cb 0.14 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.45 2rkb h GLN 320 CO -0.16 0.30 -0.17 0.00 -0.95 0.00 0.00 178.83 177.85 2rkb h ALA 321 N 1.04 -0.16 -0.17 3.87 0.00 -0.00 0.20 119.26 124.03 2rkb h ALA 321 Ca 0.09 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2rkb h ALA 321 Cb 0.03 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2rkb h ALA 321 CO -0.02 -0.65 -0.02 -0.07 0.00 0.00 0.00 179.25 178.50 2rkb h LEU 322 N -0.25 -0.10 -1.18 0.00 3.38 -0.73 0.47 115.31 116.90 2rkb h LEU 322 Ca 0.07 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2rkb h LEU 322 Cb 0.35 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 2rkb h LEU 322 CO -0.20 -0.03 0.51 0.11 0.09 0.00 0.00 178.44 178.92 2rkb h LYS 323 N 0.03 1.06 0.31 1.13 1.57 -0.57 -1.00 116.57 119.10 2rkb h LYS 323 Ca 0.08 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2rkb h LYS 323 Cb 0.11 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.19 2rkb h LYS 323 CO -0.15 0.72 -0.15 1.15 -0.57 0.00 0.00 179.45 180.45 2rkb h THR 324 N 1.09 0.61 -0.42 -0.16 2.02 0.05 0.41 112.91 116.50 2rkb h THR 324 Ca 0.29 -0.73 0.12 0.00 0.77 0.00 0.00 66.41 66.86 2rkb h THR 324 Cb -0.09 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 2rkb h THR 324 CO -0.06 0.12 0.61 -0.74 0.37 0.00 0.00 175.52 175.82 2rkb h HIS 325 N -0.87 0.00 -0.15 3.16 -0.00 0.12 0.34 115.15 117.75 2rkb h HIS 325 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 2rkb h HIS 325 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.93 2rkb h HIS 325 CO 0.04 0.00 0.00 1.28 -0.00 0.00 0.00 177.93 179.25 2rkb n LEU 326 N -3.38 2.87 -3.08 0.26 4.32 -0.40 -5.04 117.00 112.55 2rkb n LEU 326 Ca 0.08 -2.65 -0.13 0.00 -0.02 0.00 0.00 56.01 53.29 2rkb n LEU 326 Cb 0.77 -0.34 0.01 0.00 -1.62 0.00 0.00 43.42 42.24 2rkb n LEU 326 CO 0.22 0.66 0.03 0.61 -1.22 0.00 0.00 177.39 177.69 2rkb n GLY 327 N -0.60 -1.03 0.00 -0.72 0.00 0.12 -4.99 105.19 97.96 2rkb n GLY 327 Ca 0.14 1.04 0.00 0.00 0.00 0.00 0.00 46.02 47.20 2rkb n GLY 327 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26