#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rtt s LYS 8 N 0.00 3.98 -0.13 0.38 -0.14 -1.26 -1.56 119.74 121.00 1rtt s LYS 8 Ca 0.00 0.15 -0.01 0.00 -1.36 0.00 0.00 55.97 54.75 1rtt s LYS 8 Cb 0.00 -3.68 -0.02 0.00 -1.68 0.00 0.00 37.83 32.45 1rtt s LYS 8 CO 0.00 -0.38 -0.08 0.08 -0.76 0.00 0.00 175.35 174.21 1rtt s VAL 9 N 2.25 3.50 -0.31 3.17 1.01 -0.04 0.05 120.40 130.02 1rtt s VAL 9 Ca 0.19 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 1rtt s VAL 9 Cb -0.16 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 1rtt s VAL 9 CO 0.10 0.52 0.22 -0.22 0.00 0.00 0.00 175.10 175.73 1rtt s LEU 10 N 0.18 4.31 -0.05 3.92 2.96 -0.33 -0.55 118.68 129.11 1rtt s LEU 10 Ca -0.05 -0.24 -0.22 0.00 -0.22 0.00 0.00 54.13 53.41 1rtt s LEU 10 Cb -0.14 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 1rtt s LEU 10 CO 0.04 -0.16 0.63 -0.83 -1.32 0.00 0.00 176.35 174.71 1rtt s GLY 11 N 1.74 2.58 -0.26 7.98 0.00 0.88 -0.97 107.32 119.27 1rtt s GLY 11 Ca 0.07 0.05 0.01 0.00 0.00 0.00 0.00 44.72 44.85 1rtt s GLY 11 CO 0.11 0.96 -0.02 -0.42 0.00 0.00 0.00 173.10 173.73 1rtt s ILE 12 N 0.41 1.57 -0.02 0.90 1.01 0.54 -0.80 121.20 124.80 1rtt s ILE 12 Ca 0.33 -1.41 -0.20 0.00 0.00 0.00 0.00 60.65 59.38 1rtt s ILE 12 Cb -0.18 -1.92 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 1rtt s ILE 12 CO 0.17 -0.24 0.56 -0.55 0.00 0.00 0.00 174.94 174.88 1rtt s SER 13 N 1.34 6.91 0.00 3.58 0.15 -1.26 -0.95 113.70 123.48 1rtt s SER 13 Ca -0.02 1.08 0.12 0.00 0.70 0.00 0.00 55.95 57.83 1rtt s SER 13 Cb -0.19 -2.34 0.37 0.00 -1.71 0.00 0.00 66.02 62.15 1rtt s SER 13 CO -0.09 0.11 1.29 0.61 1.20 0.00 0.00 173.24 176.36 1rtt n GLY 14 N 2.52 0.48 3.29 9.45 0.00 -0.52 -4.87 105.19 115.54 1rtt n GLY 14 Ca -0.08 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 1rtt n GLY 14 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rtt s SER 15 N -1.09 2.82 -0.00 1.61 0.15 -1.26 -3.90 113.70 112.03 1rtt s SER 15 Ca 0.24 -0.51 0.21 0.00 0.70 0.00 0.00 55.95 56.59 1rtt s SER 15 Cb 0.12 -0.27 -0.23 0.00 -1.71 0.00 0.00 66.02 63.93 1rtt s SER 15 CO 0.17 0.24 0.83 0.18 1.20 0.00 0.00 173.24 175.87 1rtt n LEU 16 N 2.08 0.78 -4.77 3.45 4.77 -1.26 -4.89 117.00 117.16 1rtt n LEU 16 Ca -0.16 -0.38 -0.36 0.00 -0.03 0.00 0.00 56.01 55.08 1rtt n LEU 16 Cb 0.52 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1rtt n LEU 16 CO 0.23 0.19 0.80 0.00 -1.33 0.00 0.00 177.39 177.28 1rtt s ARG 17 N -3.11 3.67 0.26 3.23 1.70 -1.26 -4.95 118.95 118.50 1rtt s ARG 17 Ca 0.05 1.68 -0.04 0.00 -0.47 0.00 0.00 55.73 56.95 1rtt s ARG 17 Cb 0.16 -2.28 0.34 0.00 -0.57 0.00 0.00 34.95 32.60 1rtt s ARG 17 CO 0.87 -0.60 1.92 0.66 -1.08 0.00 0.00 175.30 177.07 1rtt h SER 18 N 1.80 1.08 -0.42 -2.89 4.64 -2.05 -2.59 113.55 113.12 1rtt h SER 18 Ca -0.49 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1rtt h SER 18 Cb 1.25 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1rtt h SER 18 CO 0.59 0.75 0.00 0.61 -0.87 0.00 0.00 176.83 177.92 1rtt n GLY 19 N -1.38 2.57 3.62 -0.77 0.00 -1.26 -4.99 105.19 102.98 1rtt n GLY 19 Ca 0.13 -0.67 -0.56 0.00 0.00 0.00 0.00 46.02 44.92 1rtt n GLY 19 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rtt n SER 20 N 0.47 1.60 0.01 1.61 2.88 -0.98 -4.87 113.62 114.33 1rtt n SER 20 Ca 0.20 1.12 -0.05 0.00 -1.33 0.00 0.00 58.87 58.81 1rtt n SER 20 Cb 0.94 -1.11 0.17 0.00 -0.75 0.00 0.00 64.21 63.45 1rtt n SER 20 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1rtt h TYR 21 N 5.15 0.58 -0.29 0.66 0.05 -1.92 -1.20 116.97 120.00 1rtt h TYR 21 Ca -0.48 -0.14 -0.17 0.00 0.05 0.00 0.00 58.73 58.00 1rtt h TYR 21 Cb 1.35 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 38.95 1rtt h TYR 21 CO 0.65 0.76 -0.48 -0.91 -1.05 0.00 0.00 178.16 177.12 1rtt h ASN 22 N 0.43 0.85 -0.21 3.88 2.35 -1.90 -0.29 115.58 120.70 1rtt h ASN 22 Ca 0.05 -0.43 -0.13 0.00 -0.55 0.00 0.00 56.30 55.25 1rtt h ASN 22 Cb 0.76 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1rtt h ASN 22 CO 0.06 1.19 -0.33 0.28 -1.65 0.00 0.00 177.43 176.98 1rtt h SER 23 N 0.61 0.75 -0.55 5.81 0.02 -1.87 -2.37 113.55 115.96 1rtt h SER 23 Ca 0.03 -0.31 -0.07 0.00 -0.84 0.00 0.00 61.79 60.60 1rtt h SER 23 Cb 1.06 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 1rtt h SER 23 CO 0.10 1.02 0.08 0.00 -1.14 0.00 0.00 176.83 176.89 1rtt h ALA 24 N 1.02 1.03 -0.58 3.77 0.00 -1.04 -0.92 119.26 122.55 1rtt h ALA 24 Ca 0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1rtt h ALA 24 Cb 0.85 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1rtt h ALA 24 CO 0.07 0.62 0.28 0.00 0.00 0.00 0.00 179.25 180.22 1rtt h ALA 25 N 1.18 0.74 -0.59 0.00 0.00 -0.83 -1.34 119.26 118.42 1rtt h ALA 25 Ca 0.18 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1rtt h ALA 25 Cb 0.42 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1rtt h ALA 25 CO 0.01 0.30 0.02 -0.07 0.00 0.00 0.00 179.25 179.51 1rtt h LEU 26 N 0.78 1.01 -0.94 0.00 3.38 -1.10 0.06 115.31 118.50 1rtt h LEU 26 Ca 0.20 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1rtt h LEU 26 Cb 0.11 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 1rtt h LEU 26 CO -0.03 1.06 0.57 -0.61 0.09 0.00 0.00 178.44 179.52 1rtt h GLN 27 N 0.93 1.28 -0.34 1.13 5.75 -0.86 -1.50 115.11 121.51 1rtt h GLN 27 Ca 0.17 -0.12 -0.13 0.00 -0.15 0.00 0.00 58.65 58.43 1rtt h GLN 27 Cb 0.53 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 1rtt h GLN 27 CO 0.03 0.89 -0.31 0.93 -2.65 0.00 0.00 178.83 177.72 1rtt h GLU 28 N 1.30 0.72 -0.55 1.69 4.39 -0.96 -2.95 114.58 118.22 1rtt h GLU 28 Ca 0.34 -0.33 0.04 0.00 0.34 0.00 0.00 59.36 59.75 1rtt h GLU 28 Cb -0.06 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 1rtt h GLU 28 CO -0.06 0.94 0.36 0.00 -1.16 0.00 0.00 179.01 179.08 1rtt h ALA 29 N 1.04 1.79 -0.86 3.43 0.00 0.00 -1.58 119.26 123.07 1rtt h ALA 29 Ca 0.07 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.11 1rtt h ALA 29 Cb 0.83 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 1rtt h ALA 29 CO 0.07 0.14 0.56 0.82 0.00 0.00 0.00 179.25 180.84 1rtt h ILE 30 N 0.58 0.80 -0.23 0.00 2.04 -1.18 0.59 117.51 120.10 1rtt h ILE 30 Ca 0.23 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1rtt h ILE 30 Cb 0.18 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1rtt h ILE 30 CO -0.06 0.11 0.00 0.61 0.00 0.00 0.00 178.15 178.81 1rtt n GLY 31 N -1.46 0.63 0.47 5.37 0.00 -0.60 -4.01 105.19 105.59 1rtt n GLY 31 Ca 0.17 -0.49 0.05 0.00 0.00 0.00 0.00 46.02 45.76 1rtt n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rtt n LEU 32 N 0.60 2.09 -4.77 0.99 4.77 0.18 -5.02 117.00 115.84 1rtt n LEU 32 Ca 0.16 -1.18 -0.34 0.00 -0.03 0.00 0.00 56.01 54.62 1rtt n LEU 32 Cb 0.39 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1rtt n LEU 32 CO 0.13 0.43 0.75 0.68 -1.33 0.00 0.00 177.39 178.06 1rtt s VAL 33 N -0.92 3.22 0.68 4.08 -7.23 -1.13 -4.57 120.40 114.52 1rtt s VAL 33 Ca 0.15 0.62 -0.11 0.00 -1.81 0.00 0.00 61.98 60.82 1rtt s VAL 33 Cb 0.10 -3.15 -0.00 0.00 0.56 0.00 0.00 36.38 33.88 1rtt s VAL 33 CO 0.14 -0.31 1.08 -2.16 -0.31 0.00 0.00 175.10 173.54 1rtt s PRO 34 N -3.88 3.08 0.45 4.82 0.04 -1.26 -4.96 135.00 133.29 1rtt s PRO 34 Ca 0.68 0.55 -0.25 0.00 0.04 0.00 0.00 61.00 62.02 1rtt s PRO 34 Cb -0.21 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.20 1rtt s PRO 34 CO 0.38 -0.90 1.38 -2.30 0.04 0.00 0.00 177.00 175.60 1rtt n PRO 35 N -2.93 2.13 -0.34 0.56 -0.02 -1.26 -2.46 135.00 130.68 1rtt n PRO 35 Ca 0.07 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1rtt n PRO 35 Cb 0.56 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1rtt n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rtt n GLY 36 N 0.66 0.74 3.07 -1.23 0.00 -1.26 -5.05 105.19 102.12 1rtt n GLY 36 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 1rtt n GLY 36 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1rtt s MET 37 N -0.66 0.58 -0.06 1.61 0.00 -1.03 -0.38 119.30 119.35 1rtt s MET 37 Ca 0.00 -0.74 -0.11 0.00 0.00 0.00 0.00 55.69 54.84 1rtt s MET 37 Cb 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 34.83 34.44 1rtt s MET 37 CO 0.00 0.08 0.28 -1.54 0.00 0.00 0.00 175.02 173.84 1rtt s SER 38 N -1.46 -0.22 -0.14 1.11 1.04 -0.60 -4.74 113.70 108.68 1rtt s SER 38 Ca -0.07 0.31 -0.04 0.00 0.48 0.00 0.00 55.95 56.63 1rtt s SER 38 Cb -0.09 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 1rtt s SER 38 CO 0.01 -0.25 -0.01 -0.63 0.98 0.00 0.00 173.24 173.33 1rtt s ILE 39 N -0.55 4.15 -0.04 -1.02 1.01 -1.26 -0.86 121.20 122.63 1rtt s ILE 39 Ca -0.07 -0.27 0.05 0.00 0.00 0.00 0.00 60.65 60.36 1rtt s ILE 39 Cb -0.04 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.59 1rtt s ILE 39 CO 0.02 0.51 -0.17 -0.70 0.00 0.00 0.00 174.94 174.60 1rtt s GLU 40 N 0.07 2.41 -0.02 2.79 2.12 0.28 -4.96 118.70 121.39 1rtt s GLU 40 Ca 0.01 -0.75 -0.12 0.00 0.36 0.00 0.00 54.97 54.47 1rtt s GLU 40 Cb -0.13 -2.30 -0.05 0.00 0.26 0.00 0.00 34.13 31.91 1rtt s GLU 40 CO 0.02 0.61 0.34 -0.51 -0.54 0.00 0.00 175.26 175.18 1rtt s LEU 41 N -0.72 4.45 0.11 2.70 1.43 -1.26 -0.08 118.68 125.30 1rtt s LEU 41 Ca 0.11 0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 53.93 1rtt s LEU 41 Cb -0.10 -2.49 -0.06 0.00 0.03 0.00 0.00 46.19 43.57 1rtt s LEU 41 CO 0.00 0.34 0.45 0.00 0.23 0.00 0.00 176.35 177.37 1rtt s ALA 42 N -1.09 3.67 -0.32 4.21 0.00 0.02 -4.89 121.76 123.36 1rtt s ALA 42 Ca 0.22 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.85 1rtt s ALA 42 Cb -0.15 -2.35 0.06 0.00 0.00 0.00 0.00 23.12 20.68 1rtt s ALA 42 CO 0.11 0.54 0.03 0.34 0.00 0.00 0.00 175.76 176.78 1rtt s ASP 43 N -1.84 4.96 0.00 0.00 -1.08 -1.26 -4.65 116.67 112.80 1rtt s ASP 43 Ca 0.36 -1.38 0.21 0.00 -0.52 0.00 0.00 52.55 51.22 1rtt s ASP 43 Cb -0.14 -1.73 0.43 0.00 -1.46 0.00 0.00 42.92 40.01 1rtt s ASP 43 CO 0.19 -0.30 1.37 2.30 0.52 0.00 0.00 175.17 179.24 1rtt n ILE 44 N 4.62 0.63 0.30 4.11 -5.35 -1.26 -4.54 119.36 117.88 1rtt n ILE 44 Ca -0.11 -0.82 0.17 0.00 -0.27 0.00 0.00 62.75 61.72 1rtt n ILE 44 Cb 0.43 0.85 0.97 0.00 -1.74 0.00 0.00 39.64 40.15 1rtt n ILE 44 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1rtt h SER 45 N 3.95 0.00 0.08 7.28 4.64 -1.96 -2.12 113.55 125.41 1rtt h SER 45 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rtt h SER 45 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1rtt h SER 45 CO 0.00 0.02 -0.15 0.61 -0.87 0.00 0.00 176.83 176.44 1rtt n GLY 46 N -1.07 -0.12 3.67 -0.77 0.00 -1.26 -4.88 105.19 100.76 1rtt n GLY 46 Ca -0.03 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 1rtt n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rtt s ILE 47 N -2.24 4.40 0.82 -0.61 1.01 -0.80 -4.71 121.20 119.07 1rtt s ILE 47 Ca 0.30 1.70 -0.12 0.00 0.00 0.00 0.00 60.65 62.52 1rtt s ILE 47 Cb 0.20 -4.09 0.08 0.00 0.01 0.00 0.00 42.46 38.66 1rtt s ILE 47 CO 0.43 -0.08 1.16 -2.16 0.00 0.00 0.00 174.94 174.28 1rtt s PRO 48 N 2.83 1.89 0.38 2.79 0.04 -1.26 -5.00 135.00 136.67 1rtt s PRO 48 Ca 0.53 0.22 -0.27 0.00 0.04 0.00 0.00 61.00 61.51 1rtt s PRO 48 Cb -0.21 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 1rtt s PRO 48 CO 0.16 -1.67 1.32 -0.51 0.04 0.00 0.00 177.00 176.34 1rtt s LEU 49 N -5.66 4.30 0.32 -3.56 1.43 -1.26 -4.92 118.68 109.33 1rtt s LEU 49 Ca 0.62 2.70 -0.29 0.00 -1.03 0.00 0.00 54.13 56.13 1rtt s LEU 49 Cb -0.12 -3.79 -0.10 0.00 0.03 0.00 0.00 46.19 42.21 1rtt s LEU 49 CO 0.51 -0.74 1.41 -0.47 0.23 0.00 0.00 176.35 177.29 1rtt s TYR 50 N -1.21 2.90 -0.21 0.29 5.04 -1.26 -5.02 117.35 117.88 1rtt s TYR 50 Ca 0.54 1.21 -0.06 0.00 -2.44 0.00 0.00 57.07 56.32 1rtt s TYR 50 Cb -0.39 -3.83 0.10 0.00 0.35 0.00 0.00 41.96 38.19 1rtt s TYR 50 CO 0.52 -2.48 0.41 1.21 -1.34 0.00 0.00 175.55 173.86 1rtt s ASN 51 N -0.11 -0.15 0.39 4.32 3.84 -1.26 -5.04 114.94 116.94 1rtt s ASN 51 Ca 0.54 0.78 0.13 0.00 0.21 0.00 0.00 52.86 54.51 1rtt s ASN 51 Cb -0.43 1.30 0.95 0.00 -0.55 0.00 0.00 41.25 42.53 1rtt s ASN 51 CO 0.53 -0.25 1.89 -0.08 -2.79 0.00 0.00 177.10 176.40 1rtt h GLU 52 N 8.17 0.52 0.00 0.43 4.57 -1.99 -0.33 114.58 125.96 1rtt h GLU 52 Ca -0.17 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 57.93 1rtt h GLU 52 Cb 1.12 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.59 1rtt h GLU 52 CO 0.17 0.34 -0.23 -0.44 -1.18 0.00 0.00 179.01 177.67 1rtt h ASP 53 N 0.54 0.00 0.12 1.04 3.32 -2.00 0.12 116.42 119.56 1rtt h ASP 53 Ca 0.41 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.30 1rtt h ASP 53 Cb 0.82 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.39 1rtt h ASP 53 CO -0.16 0.23 -0.70 0.58 -1.72 0.00 0.00 179.24 177.47 1rtt h VAL 54 N 0.00 1.55 -1.00 -1.35 2.07 -1.48 -3.31 116.25 112.74 1rtt h VAL 54 Ca -0.00 -2.50 0.10 0.00 0.82 0.00 0.00 66.70 65.12 1rtt h VAL 54 Cb 0.41 3.21 -0.08 0.00 -1.52 0.00 0.00 31.29 33.31 1rtt h VAL 54 CO 0.03 0.70 0.64 0.22 0.02 0.00 0.00 177.57 179.18 1rtt h TYR 55 N -0.45 1.16 -0.13 1.57 3.20 -0.98 -1.41 116.97 119.93 1rtt h TYR 55 Ca -0.12 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.82 1rtt h TYR 55 Cb 1.55 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 1rtt h TYR 55 CO 0.21 0.51 0.15 0.00 -1.64 0.00 0.00 178.16 177.39 1rtt h ALA 56 N 1.51 1.72 -0.01 1.82 0.00 -1.06 0.18 119.26 123.42 1rtt h ALA 56 Ca 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1rtt h ALA 56 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1rtt h ALA 56 CO -0.23 -0.22 -0.40 1.28 0.00 0.00 0.00 179.25 179.68 1rtt n LEU 57 N -3.78 1.21 0.00 0.00 4.77 -0.54 -5.04 117.00 113.62 1rtt n LEU 57 Ca 0.00 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1rtt n LEU 57 Cb 0.26 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1rtt n LEU 57 CO 0.27 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1rtt n GLY 58 N 1.39 3.55 3.73 -0.72 0.00 0.05 -5.08 105.19 108.11 1rtt n GLY 58 Ca 0.10 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 1rtt n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rtt s PHE 59 N -2.33 3.63 0.59 1.61 0.08 -1.26 -4.27 117.98 116.03 1rtt s PHE 59 Ca 0.00 1.61 -0.20 0.00 0.12 0.00 0.00 56.93 58.46 1rtt s PHE 59 Cb 0.00 -3.22 -0.03 0.00 -0.57 0.00 0.00 43.02 39.19 1rtt s PHE 59 CO 0.00 -0.44 1.27 -2.14 -0.10 0.00 0.00 175.22 173.81 1rtt s PRO 60 N 0.25 2.94 0.30 0.24 0.02 -1.26 -4.70 135.00 132.78 1rtt s PRO 60 Ca 0.51 2.00 0.06 0.00 0.02 0.00 0.00 61.00 63.59 1rtt s PRO 60 Cb -0.26 -2.02 0.79 0.00 0.02 0.00 0.00 34.50 33.03 1rtt s PRO 60 CO 0.31 -1.28 1.69 -1.35 -0.33 0.00 0.00 177.00 176.04 1rtt h PRO 61 N 1.00 0.38 -0.35 5.54 0.11 -1.95 -0.09 132.00 136.64 1rtt h PRO 61 Ca -0.51 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 1rtt h PRO 61 Cb 1.31 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1rtt h PRO 61 CO 0.55 0.25 0.01 0.00 -0.21 0.00 0.00 178.00 178.60 1rtt h ALA 62 N 1.74 1.38 -0.14 -0.75 0.00 -1.89 -1.19 119.26 118.41 1rtt h ALA 62 Ca 0.59 -0.19 -0.23 0.00 0.00 0.00 0.00 54.91 55.08 1rtt h ALA 62 Cb 1.17 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.82 1rtt h ALA 62 CO -0.55 0.43 -0.81 0.28 0.00 0.00 0.00 179.25 178.61 1rtt h VAL 63 N 0.51 1.28 -0.63 0.00 2.07 -1.38 -2.30 116.25 115.79 1rtt h VAL 63 Ca 0.11 -2.00 -0.01 0.00 0.82 0.00 0.00 66.70 65.62 1rtt h VAL 63 Cb 0.31 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 1rtt h VAL 63 CO 0.01 0.63 0.37 -0.08 0.02 0.00 0.00 177.57 178.52 1rtt h GLU 64 N 0.53 0.87 -0.65 1.57 4.81 -0.95 0.28 114.58 121.03 1rtt h GLU 64 Ca -0.06 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1rtt h GLU 64 Cb 1.44 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 1rtt h GLU 64 CO 0.16 0.64 0.38 -0.09 -0.73 0.00 0.00 179.01 179.38 1rtt h ARG 65 N 0.86 0.88 -0.28 1.92 9.65 -1.19 -0.05 114.38 126.17 1rtt h ARG 65 Ca 0.23 -0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 59.01 1rtt h ARG 65 Cb 0.01 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.39 1rtt h ARG 65 CO -0.04 0.63 0.12 0.35 2.80 0.00 0.00 179.97 183.84 1rtt h PHE 66 N 0.88 0.42 -0.82 2.20 3.57 -0.93 -1.49 116.94 120.76 1rtt h PHE 66 Ca 0.23 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1rtt h PHE 66 Cb -0.02 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 1rtt h PHE 66 CO -0.02 0.40 0.47 0.00 -2.23 0.00 0.00 178.31 176.93 1rtt h ARG 67 N 0.31 1.12 -0.73 1.11 3.08 -0.63 -1.17 114.38 117.46 1rtt h ARG 67 Ca 0.09 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1rtt h ARG 67 Cb 0.15 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1rtt h ARG 67 CO -0.01 0.80 0.31 0.93 -1.07 0.00 0.00 179.97 180.93 1rtt h GLU 68 N 1.13 1.09 -0.59 0.04 4.39 -0.67 -0.91 114.58 119.07 1rtt h GLU 68 Ca 0.29 -0.19 -0.09 0.00 0.34 0.00 0.00 59.36 59.71 1rtt h GLU 68 Cb -0.01 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 1rtt h GLU 68 CO -0.05 0.88 -0.00 1.96 -1.16 0.00 0.00 179.01 180.64 1rtt h GLN 69 N 1.05 1.04 -0.52 2.33 4.20 -0.70 -1.89 115.11 120.61 1rtt h GLN 69 Ca 0.25 -0.33 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 1rtt h GLN 69 Cb 0.19 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1rtt h GLN 69 CO -0.02 1.02 0.18 0.82 -0.67 0.00 0.00 178.83 180.16 1rtt h ILE 70 N 0.93 1.23 -0.88 2.54 2.04 -0.95 -1.67 117.51 120.74 1rtt h ILE 70 Ca 0.17 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.31 1rtt h ILE 70 Cb 0.56 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1rtt h ILE 70 CO 0.03 0.27 0.58 -0.09 0.00 0.00 0.00 178.15 178.94 1rtt h ARG 71 N 0.70 1.11 0.00 2.37 2.43 -0.96 -2.61 114.38 117.42 1rtt h ARG 71 Ca 0.17 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1rtt h ARG 71 Cb 0.25 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1rtt h ARG 71 CO -0.01 0.74 -0.03 0.00 -1.51 0.00 0.00 179.97 179.15 1rtt h ALA 72 N 1.35 0.99 -2.39 2.80 0.00 -1.09 -3.46 119.26 117.46 1rtt h ALA 72 Ca 0.34 -0.03 -0.47 0.00 0.00 0.00 0.00 54.91 54.75 1rtt h ALA 72 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1rtt h ALA 72 CO -0.10 0.04 0.38 0.00 0.00 0.00 0.00 179.25 179.58 1rtt s ALA 73 N -3.37 3.07 -0.15 0.00 0.00 -0.65 -4.92 121.76 115.75 1rtt s ALA 73 Ca 0.05 0.60 0.18 0.00 0.00 0.00 0.00 51.96 52.78 1rtt s ALA 73 Cb 0.07 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 19.86 1rtt s ALA 73 CO 0.63 -0.09 0.91 -0.44 0.00 0.00 0.00 175.76 176.77 1rtt h ASP 74 N 2.39 0.00 -5.09 0.00 3.32 -0.69 -3.48 116.42 112.87 1rtt h ASP 74 Ca -0.48 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.53 1rtt h ASP 74 Cb 1.20 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.64 1rtt h ASP 74 CO 0.62 0.47 -0.02 0.00 -1.72 0.00 0.00 179.24 178.59 1rtt s ALA 75 N -3.01 -0.90 0.09 3.45 0.00 -0.94 -4.24 121.76 116.22 1rtt s ALA 75 Ca -0.02 -0.17 0.10 0.00 0.00 0.00 0.00 51.96 51.88 1rtt s ALA 75 Cb 0.09 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.97 1rtt s ALA 75 CO 0.80 -0.73 -0.27 -0.51 0.00 0.00 0.00 175.76 175.05 1rtt s LEU 76 N -2.85 2.25 -0.26 0.00 1.43 -0.66 -1.19 118.68 117.41 1rtt s LEU 76 Ca 0.07 -0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 52.48 1rtt s LEU 76 Cb 0.00 -1.24 0.08 0.00 0.03 0.00 0.00 46.19 45.06 1rtt s LEU 76 CO -0.07 0.21 0.04 -0.22 0.23 0.00 0.00 176.35 176.55 1rtt s LEU 77 N -1.69 2.03 -0.08 1.79 2.96 -0.15 -0.88 118.68 122.68 1rtt s LEU 77 Ca 0.13 -1.29 -0.18 0.00 -0.22 0.00 0.00 54.13 52.57 1rtt s LEU 77 Cb -0.10 -0.86 -0.05 0.00 0.50 0.00 0.00 46.19 45.68 1rtt s LEU 77 CO 0.04 -0.34 0.47 -0.36 -1.32 0.00 0.00 176.35 174.84 1rtt s PHE 78 N 1.63 3.59 -0.40 5.38 0.08 -0.45 -0.34 117.98 127.48 1rtt s PHE 78 Ca 0.03 0.95 0.00 0.00 0.12 0.00 0.00 56.93 58.03 1rtt s PHE 78 Cb -0.18 -2.49 0.11 0.00 -0.57 0.00 0.00 43.02 39.89 1rtt s PHE 78 CO -0.15 0.31 0.15 0.00 -0.10 0.00 0.00 175.22 175.43 1rtt s ALA 79 N 0.10 3.08 -0.29 5.36 0.00 -0.12 -0.90 121.76 128.98 1rtt s ALA 79 Ca 0.26 -2.61 -0.11 0.00 0.00 0.00 0.00 51.96 49.50 1rtt s ALA 79 Cb -0.16 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 1rtt s ALA 79 CO 0.12 -1.78 0.19 -0.08 0.00 0.00 0.00 175.76 174.20 1rtt s THR 80 N 0.91 5.18 0.63 0.00 -1.32 -0.56 -1.44 115.64 119.06 1rtt s THR 80 Ca 0.10 0.03 -0.13 0.00 -1.21 0.00 0.00 61.69 60.48 1rtt s THR 80 Cb -0.21 -3.52 -0.02 0.00 -1.51 0.00 0.00 72.50 67.24 1rtt s THR 80 CO -0.06 0.19 1.04 -2.84 -2.21 0.00 0.00 174.62 170.75 1rtt s PRO 81 N 1.73 3.27 -0.16 7.08 0.02 -1.26 -4.38 135.00 141.30 1rtt s PRO 81 Ca 0.07 0.98 0.02 0.00 0.02 0.00 0.00 61.00 62.08 1rtt s PRO 81 Cb -0.16 -2.03 0.02 0.00 0.02 0.00 0.00 34.50 32.34 1rtt s PRO 81 CO 0.10 -0.83 -0.21 -2.00 -0.33 0.00 0.00 177.00 173.73 1rtt s GLU 82 N -4.72 2.99 -0.05 5.54 2.12 -1.26 -2.71 118.70 120.60 1rtt s GLU 82 Ca 0.59 -0.84 0.04 0.00 0.36 0.00 0.00 54.97 55.12 1rtt s GLU 82 Cb -0.13 -2.51 0.00 0.00 0.26 0.00 0.00 34.13 31.75 1rtt s GLU 82 CO 0.48 -0.13 -0.16 0.71 -0.54 0.00 0.00 175.26 175.61 1rtt s TYR 83 N 1.09 1.72 -1.41 5.30 2.02 -0.56 -4.82 117.35 120.69 1rtt s TYR 83 Ca -0.00 -0.55 -0.03 0.00 -0.37 0.00 0.00 57.07 56.12 1rtt s TYR 83 Cb -0.14 -1.18 0.02 0.00 -0.40 0.00 0.00 41.96 40.26 1rtt s TYR 83 CO -0.08 -0.22 0.58 0.09 -1.57 0.00 0.00 175.55 174.35 1rtt n ASN 84 N 3.36 -1.17 -1.48 2.29 3.02 -1.26 -2.15 115.26 117.86 1rtt n ASN 84 Ca -0.19 -0.93 -0.18 0.00 -0.03 0.00 0.00 54.58 53.24 1rtt n ASN 84 Cb 0.53 -3.40 -0.07 0.00 -0.61 0.00 0.00 39.78 36.23 1rtt n ASN 84 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1rtt n TYR 85 N -4.39 -0.13 -3.56 3.10 4.02 -1.26 -4.95 117.16 110.00 1rtt n TYR 85 Ca -0.25 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.58 1rtt n TYR 85 Cb 0.66 -3.14 0.00 0.00 -0.02 0.00 0.00 39.34 36.84 1rtt n TYR 85 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1rtt n SER 86 N -0.98 -1.01 -4.75 7.72 2.88 -0.92 -4.50 113.62 112.07 1rtt n SER 86 Ca -0.18 -1.88 -0.38 0.00 -1.33 0.00 0.00 58.87 55.09 1rtt n SER 86 Cb 0.60 1.74 0.05 0.00 -0.75 0.00 0.00 64.21 65.85 1rtt n SER 86 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1rtt s MET 87 N -2.18 2.99 0.27 -1.46 -1.94 -1.26 -1.49 119.30 114.23 1rtt s MET 87 Ca 0.11 2.21 -0.30 0.00 -1.71 0.00 0.00 55.69 56.00 1rtt s MET 87 Cb -0.02 -2.16 -0.11 0.00 2.01 0.00 0.00 34.83 34.55 1rtt s MET 87 CO 0.08 -1.30 1.53 0.00 -0.01 0.00 0.00 175.02 175.32 1rtt s ALA 88 N -1.32 3.70 0.34 3.03 0.00 -1.10 -4.57 121.76 121.84 1rtt s ALA 88 Ca 0.74 1.46 0.05 0.00 0.00 0.00 0.00 51.96 54.22 1rtt s ALA 88 Cb -0.40 -3.61 0.70 0.00 0.00 0.00 0.00 23.12 19.80 1rtt s ALA 88 CO 0.46 -0.87 1.91 0.78 0.00 0.00 0.00 175.76 178.04 1rtt h GLY 89 N 5.06 1.19 0.96 0.00 0.00 -1.92 -1.97 103.07 106.39 1rtt h GLY 89 Ca -0.46 -0.34 0.01 0.00 0.00 0.00 0.00 47.33 46.54 1rtt h GLY 89 CO 0.80 0.20 0.35 -2.08 0.00 0.00 0.00 176.54 175.80 1rtt h VAL 90 N 0.83 1.11 -0.26 4.60 2.07 -1.90 0.12 116.25 122.82 1rtt h VAL 90 Ca 0.39 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 1rtt h VAL 90 Cb 0.42 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1rtt h VAL 90 CO -0.16 0.13 0.04 0.25 0.02 0.00 0.00 177.57 177.84 1rtt h LEU 91 N 0.70 0.41 -0.91 2.57 5.85 -1.50 -2.04 115.31 120.39 1rtt h LEU 91 Ca 0.20 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1rtt h LEU 91 Cb -0.05 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1rtt h LEU 91 CO -0.06 0.58 0.60 0.50 -0.34 0.00 0.00 178.44 179.71 1rtt h LYS 92 N 0.23 1.19 -0.82 1.25 1.63 -1.10 -1.56 116.57 117.40 1rtt h LYS 92 Ca 0.08 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 1rtt h LYS 92 Cb 0.34 -0.27 -0.04 0.00 -0.60 0.00 0.00 32.23 31.66 1rtt h LYS 92 CO 0.01 0.79 0.48 -0.97 -3.45 0.00 0.00 179.45 176.31 1rtt h ASN 93 N 1.23 1.00 -0.56 4.20 -1.24 -0.59 0.21 115.58 119.83 1rtt h ASN 93 Ca 0.33 -0.08 -0.05 0.00 0.71 0.00 0.00 56.30 57.22 1rtt h ASN 93 Cb -0.14 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 38.63 1rtt h ASN 93 CO -0.07 0.79 0.17 0.00 -1.29 0.00 0.00 177.43 177.02 1rtt h ALA 94 N 1.26 0.73 -0.62 1.57 0.00 -0.78 -1.56 119.26 119.85 1rtt h ALA 94 Ca 0.29 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1rtt h ALA 94 Cb -0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1rtt h ALA 94 CO -0.05 0.41 0.15 0.82 0.00 0.00 0.00 179.25 180.58 1rtt h ILE 95 N 0.78 1.25 -0.65 0.00 2.04 -0.84 -1.77 117.51 118.32 1rtt h ILE 95 Ca 0.18 -0.92 0.04 0.00 1.00 0.00 0.00 64.86 65.17 1rtt h ILE 95 Cb 0.30 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 1rtt h ILE 95 CO -0.00 0.34 0.38 0.44 0.00 0.00 0.00 178.15 179.31 1rtt h ASP 96 N 0.91 0.59 0.11 1.72 3.32 -0.16 0.09 116.42 123.00 1rtt h ASP 96 Ca 0.20 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1rtt h ASP 96 Cb 0.35 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1rtt h ASP 96 CO 0.00 0.40 -0.05 -0.50 -1.72 0.00 0.00 179.24 177.37 1rtt h TRP 97 N 0.72 -0.14 0.00 4.55 4.06 -1.06 -3.13 115.95 120.95 1rtt h TRP 97 Ca 0.28 -0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.21 1rtt h TRP 97 Cb 0.10 0.05 -0.00 0.00 -1.00 0.00 0.00 29.16 28.31 1rtt h TRP 97 CO -0.06 0.13 -0.04 0.00 -3.56 0.00 0.00 178.44 174.91 1rtt h ALA 98 N 0.45 1.05 -0.00 1.49 0.00 -1.10 -2.95 119.26 118.20 1rtt h ALA 98 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1rtt h ALA 98 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1rtt h ALA 98 CO 0.02 0.05 -0.06 -1.13 0.00 0.00 0.00 179.25 178.14 1rtt n SER 99 N -3.21 0.32 -4.79 0.00 3.41 0.00 -4.39 113.62 104.96 1rtt n SER 99 Ca -0.01 -0.57 -0.32 0.00 -0.26 0.00 0.00 58.87 57.71 1rtt n SER 99 Cb 0.24 -0.11 0.04 0.00 -0.26 0.00 0.00 64.21 64.12 1rtt n SER 99 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1rtt s ARG 100 N -2.40 2.93 0.83 4.33 1.81 -1.12 -4.67 118.95 120.66 1rtt s ARG 100 Ca 0.32 1.22 -0.11 0.00 -1.72 0.00 0.00 55.73 55.44 1rtt s ARG 100 Cb 0.20 -1.98 0.10 0.00 -0.45 0.00 0.00 34.95 32.82 1rtt s ARG 100 CO 0.45 -1.13 1.12 -2.14 -0.68 0.00 0.00 175.30 172.93 1rtt s PRO 101 N -4.37 1.69 0.40 3.54 0.02 -1.26 -4.06 135.00 130.96 1rtt s PRO 101 Ca 0.63 1.39 -0.08 0.00 0.02 0.00 0.00 61.00 62.96 1rtt s PRO 101 Cb -0.17 -1.82 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 1rtt s PRO 101 CO 0.44 -2.11 0.74 -1.25 -0.33 0.00 0.00 177.00 174.50 1rtt s PRO 102 N -4.70 3.71 -0.47 5.54 0.04 -1.26 -4.94 135.00 132.91 1rtt s PRO 102 Ca 0.65 0.34 -0.07 0.00 0.04 0.00 0.00 61.00 61.95 1rtt s PRO 102 Cb -0.21 -2.43 0.01 0.00 0.04 0.00 0.00 34.50 31.92 1rtt s PRO 102 CO 0.56 -0.03 0.30 0.39 0.04 0.00 0.00 177.00 178.26 1rtt n GLU 103 N -1.45 -0.70 -1.61 4.56 -0.58 -1.26 -4.68 120.64 114.92 1rtt n GLU 103 Ca 0.01 0.09 -0.51 0.00 -0.42 0.00 0.00 57.16 56.33 1rtt n GLU 103 Cb 0.54 -0.88 -0.06 0.00 -0.57 0.00 0.00 31.44 30.48 1rtt n GLU 103 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rtt n GLN 104 N -2.12 1.34 0.12 3.49 -0.00 -1.26 -4.84 117.38 114.11 1rtt n GLN 104 Ca -0.11 0.48 0.10 0.00 -0.00 0.00 0.00 57.00 57.47 1rtt n GLN 104 Cb 0.30 -2.15 0.46 0.00 -0.00 0.00 0.00 30.24 28.86 1rtt n GLN 104 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1rtt n PRO 105 N 2.72 0.13 0.22 2.61 -0.04 -1.26 -2.99 135.00 136.38 1rtt n PRO 105 Ca 0.18 0.54 0.09 0.00 -0.04 0.00 0.00 63.50 64.26 1rtt n PRO 105 Cb 0.21 -1.84 0.47 0.00 -0.04 0.00 0.00 33.50 32.30 1rtt n PRO 105 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1rtt h PHE 106 N 0.00 0.00 -1.37 0.54 0.04 -1.87 -3.42 116.94 110.87 1rtt h PHE 106 Ca 0.00 0.00 -0.78 0.00 2.80 0.00 0.00 57.97 59.99 1rtt h PHE 106 Cb 0.12 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.28 1rtt h PHE 106 CO 0.00 0.26 0.77 0.45 -0.60 0.00 0.00 178.31 179.19 1rtt n SER 107 N -3.55 1.87 0.00 2.17 2.88 -1.16 -1.72 113.62 114.11 1rtt n SER 107 Ca -0.01 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1rtt n SER 107 Cb 0.41 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 62.81 1rtt n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rtt n GLY 108 N 3.89 1.00 3.74 0.46 0.00 0.81 -5.00 105.19 110.10 1rtt n GLY 108 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 1rtt n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rtt s LYS 109 N -0.13 4.59 0.52 1.61 -0.14 -0.70 -4.77 119.74 120.72 1rtt s LYS 109 Ca 0.00 1.70 -0.16 0.00 -1.36 0.00 0.00 55.97 56.15 1rtt s LYS 109 Cb 0.00 -3.29 -0.08 0.00 -1.68 0.00 0.00 37.83 32.79 1rtt s LYS 109 CO 0.00 0.07 0.99 -1.25 -0.76 0.00 0.00 175.35 174.40 1rtt s PRO 110 N -0.28 3.91 0.22 -1.68 0.04 -1.26 -0.97 135.00 134.98 1rtt s PRO 110 Ca 0.50 0.95 -0.16 0.00 0.04 0.00 0.00 61.00 62.32 1rtt s PRO 110 Cb -0.29 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 32.13 1rtt s PRO 110 CO 0.34 -0.30 0.52 0.00 0.04 0.00 0.00 177.00 177.60 1rtt s ALA 111 N -2.66 -0.71 0.05 8.56 0.00 -0.38 -1.65 121.76 124.97 1rtt s ALA 111 Ca 0.59 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 52.11 1rtt s ALA 111 Cb -0.10 0.91 -0.02 0.00 0.00 0.00 0.00 23.12 23.91 1rtt s ALA 111 CO 0.33 -0.84 -0.11 0.00 0.00 0.00 0.00 175.76 175.14 1rtt s ALA 112 N -3.93 0.93 -0.04 0.00 0.00 -0.06 -0.83 121.76 117.84 1rtt s ALA 112 Ca 0.14 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.34 1rtt s ALA 112 Cb -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1rtt s ALA 112 CO 0.02 0.12 -0.20 0.42 0.00 0.00 0.00 175.76 176.12 1rtt s ILE 113 N -1.08 1.66 0.18 0.00 1.01 -1.26 -1.34 121.20 120.36 1rtt s ILE 113 Ca -0.03 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 59.70 1rtt s ILE 113 Cb -0.09 -1.40 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 1rtt s ILE 113 CO 0.01 0.47 0.23 -1.48 0.00 0.00 0.00 174.94 174.17 1rtt s LEU 114 N -0.20 1.10 -0.07 2.97 0.05 -0.08 -4.33 118.68 118.12 1rtt s LEU 114 Ca 0.01 -1.06 -0.30 0.00 0.05 0.00 0.00 54.13 52.83 1rtt s LEU 114 Cb -0.11 0.90 0.11 0.00 -2.05 0.00 0.00 46.19 45.04 1rtt s LEU 114 CO 0.01 -0.88 0.93 -0.83 -0.55 0.00 0.00 176.35 175.04 1rtt s GLY 115 N -3.03 -0.39 -0.00 -3.48 0.00 -0.96 -1.49 107.32 97.97 1rtt s GLY 115 Ca 0.24 1.43 0.02 0.00 0.00 0.00 0.00 44.72 46.41 1rtt s GLY 115 CO 0.04 0.63 -0.08 0.00 0.00 0.00 0.00 173.10 173.70 1rtt s ALA 116 N -2.25 0.63 0.05 3.20 0.00 -1.26 -0.93 121.76 121.20 1rtt s ALA 116 Ca 0.02 -0.36 -0.13 0.00 0.00 0.00 0.00 51.96 51.49 1rtt s ALA 116 Cb -0.01 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1rtt s ALA 116 CO -0.04 0.14 0.29 0.45 0.00 0.00 0.00 175.76 176.60 1rtt s SER 117 N -0.29 -0.09 0.45 0.00 0.15 0.23 -4.65 113.70 109.49 1rtt s SER 117 Ca 0.02 -0.26 0.25 0.00 0.70 0.00 0.00 55.95 56.66 1rtt s SER 117 Cb -0.03 0.35 0.64 0.00 -1.71 0.00 0.00 66.02 65.27 1rtt s SER 117 CO -0.00 -0.63 1.71 0.00 1.20 0.00 0.00 173.24 175.52 1rtt h ALA 118 N 3.16 0.97 -2.33 5.45 0.00 -1.92 0.11 119.26 124.70 1rtt h ALA 118 Ca -0.32 -0.07 -0.50 0.00 0.00 0.00 0.00 54.91 54.02 1rtt h ALA 118 Cb 1.20 -0.01 0.13 0.00 0.00 0.00 0.00 17.79 19.11 1rtt h ALA 118 CO 0.47 0.09 0.30 0.20 0.00 0.00 0.00 179.25 180.32 1rtt s GLY 119 N -4.24 1.65 0.34 0.00 0.00 -1.26 -2.95 107.32 100.86 1rtt s GLY 119 Ca 0.05 0.10 0.04 0.00 0.00 0.00 0.00 44.72 44.91 1rtt s GLY 119 CO 0.64 0.50 1.93 -0.09 0.00 0.00 0.00 173.10 176.08 1rtt h ARG 120 N -1.22 0.84 -0.54 2.90 2.43 -1.96 -2.94 114.38 113.88 1rtt h ARG 120 Ca -0.46 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1rtt h ARG 120 Cb 1.25 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1rtt h ARG 120 CO 0.54 0.55 0.00 1.19 -1.51 0.00 0.00 179.97 180.74 1rtt n PHE 121 N -4.49 0.79 -4.42 2.20 3.72 -1.26 -4.76 117.46 109.23 1rtt n PHE 121 Ca 0.12 -0.36 -0.37 0.00 -0.05 0.00 0.00 57.45 56.79 1rtt n PHE 121 Cb 0.24 -0.05 -0.09 0.00 -0.94 0.00 0.00 39.48 38.64 1rtt n PHE 121 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rtt n GLY 122 N 1.21 -0.27 2.15 1.37 0.00 -1.12 -1.27 105.19 107.26 1rtt n GLY 122 Ca 0.18 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1rtt n GLY 122 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rtt n THR 123 N -4.32 0.00 -0.21 2.61 -2.24 -1.26 -3.41 114.28 105.45 1rtt n THR 123 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1rtt n THR 123 Cb 0.57 -0.11 0.09 0.00 -2.10 0.00 0.00 70.33 68.78 1rtt n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rtt h ALA 124 N 0.00 0.52 -0.70 6.98 0.00 -1.58 -1.24 119.26 123.23 1rtt h ALA 124 Ca 0.00 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1rtt h ALA 124 Cb 0.11 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1rtt h ALA 124 CO 0.00 -0.42 0.44 0.00 0.00 0.00 0.00 179.25 179.27 1rtt h ARG 125 N 0.05 0.95 -0.64 0.00 3.08 -1.89 -2.30 114.38 113.64 1rtt h ARG 125 Ca 0.32 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.24 1rtt h ARG 125 Cb 0.51 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 1rtt h ARG 125 CO -0.59 0.66 0.20 0.00 -1.07 0.00 0.00 179.97 179.17 1rtt h ALA 126 N 1.23 1.16 -0.54 0.04 0.00 -1.54 -2.73 119.26 116.87 1rtt h ALA 126 Ca 0.25 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1rtt h ALA 126 Cb -0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1rtt h ALA 126 CO -0.05 0.59 0.22 1.96 0.00 0.00 0.00 179.25 181.96 1rtt h GLN 127 N 0.94 0.81 -0.02 0.00 4.20 -0.72 -0.14 115.11 120.18 1rtt h GLN 127 Ca 0.21 -0.15 -0.12 0.00 0.06 0.00 0.00 58.65 58.65 1rtt h GLN 127 Cb 0.26 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1rtt h GLN 127 CO -0.01 0.71 -0.55 1.88 -0.67 0.00 0.00 178.83 180.19 1rtt h TYR 128 N 0.74 0.07 -0.30 2.96 0.05 -1.38 -0.54 116.97 118.57 1rtt h TYR 128 Ca 0.18 -0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.83 1rtt h TYR 128 Cb 0.20 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 1rtt h TYR 128 CO 0.01 0.59 -0.23 0.45 -1.05 0.00 0.00 178.16 177.92 1rtt h HIS 129 N 0.04 0.80 -0.94 4.88 3.86 -1.23 -2.90 115.15 119.66 1rtt h HIS 129 Ca -0.00 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 1rtt h HIS 129 Cb 0.98 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 29.23 1rtt h HIS 129 CO 0.00 0.95 0.59 1.25 0.86 0.00 0.00 177.93 181.59 1rtt h LEU 130 N 0.43 1.11 -1.93 2.43 5.85 -0.72 -1.77 115.31 120.70 1rtt h LEU 130 Ca 0.05 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1rtt h LEU 130 Cb 0.79 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1rtt h LEU 130 CO 0.06 0.83 0.09 0.03 -0.34 0.00 0.00 178.44 179.11 1rtt h ARG 131 N 1.29 0.10 -0.20 1.25 3.08 -0.95 0.49 114.38 119.44 1rtt h ARG 131 Ca 0.34 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.25 1rtt h ARG 131 Cb -0.10 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1rtt h ARG 131 CO -0.07 0.06 -0.40 0.37 -1.07 0.00 0.00 179.97 178.86 1rtt h GLN 132 N 0.10 0.62 -0.97 0.04 4.15 -1.14 -3.04 115.11 114.87 1rtt h GLN 132 Ca 0.06 -0.40 0.02 0.00 0.77 0.00 0.00 58.65 59.10 1rtt h GLN 132 Cb 0.11 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.80 1rtt h GLN 132 CO -0.01 1.02 0.64 1.15 -1.93 0.00 0.00 178.83 179.70 1rtt h THR 133 N 0.30 1.21 0.00 2.39 2.02 -0.87 -2.19 112.91 115.77 1rtt h THR 133 Ca 0.01 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 1rtt h THR 133 Cb 1.01 -0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1rtt h THR 133 CO 0.09 0.23 -0.03 -0.07 0.37 0.00 0.00 175.52 176.12 1rtt h LEU 134 N 1.27 0.00 -0.10 2.58 3.38 -0.84 -2.39 115.31 119.21 1rtt h LEU 134 Ca 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 1rtt h LEU 134 Cb -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1rtt h LEU 134 CO -0.10 0.03 0.06 0.58 0.09 0.00 0.00 178.44 179.09 1rtt h VAL 135 N 0.00 1.10 -0.18 1.22 2.07 -1.32 -0.70 116.25 118.43 1rtt h VAL 135 Ca -0.00 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 1rtt h VAL 135 Cb 0.07 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1rtt h VAL 135 CO 0.00 0.08 -0.13 0.15 0.02 0.00 0.00 177.57 177.70 1rtt h PHE 136 N 0.07 0.31 -0.00 1.57 3.57 -1.53 -1.91 116.94 119.02 1rtt h PHE 136 Ca 0.04 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1rtt h PHE 136 Cb 0.09 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1rtt h PHE 136 CO -0.04 0.42 -0.04 1.28 -2.23 0.00 0.00 178.31 177.70 1rtt n LEU 137 N -4.26 0.07 -3.53 0.59 4.77 -1.04 -4.93 117.00 108.67 1rtt n LEU 137 Ca -0.00 0.34 -0.21 0.00 -0.03 0.00 0.00 56.01 56.11 1rtt n LEU 137 Cb 0.28 -0.37 0.08 0.00 -2.33 0.00 0.00 43.42 41.08 1rtt n LEU 137 CO 0.38 0.02 0.18 -0.67 -1.33 0.00 0.00 177.39 175.97 1rtt n ASP 138 N -1.37 -4.30 -4.90 -1.43 2.03 -0.38 -3.05 116.55 103.16 1rtt n ASP 138 Ca 0.10 -0.59 -0.33 0.00 0.52 0.00 0.00 54.79 54.50 1rtt n ASP 138 Cb 0.30 -5.04 -0.05 0.00 -0.72 0.00 0.00 41.12 35.60 1rtt n ASP 138 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1rtt s VAL 139 N -3.34 5.32 -0.52 5.18 1.01 -0.57 -0.13 120.40 127.34 1rtt s VAL 139 Ca 0.31 -0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 1rtt s VAL 139 Cb -0.14 -3.58 0.14 0.00 0.00 0.00 0.00 36.38 32.80 1rtt s VAL 139 CO 0.73 0.27 0.31 -1.00 0.00 0.00 0.00 175.10 175.41 1rtt s HIS 140 N -1.39 3.45 0.40 5.22 3.76 -0.14 -4.66 115.29 121.93 1rtt s HIS 140 Ca 0.31 -2.76 -0.17 0.00 -0.15 0.00 0.00 55.06 52.29 1rtt s HIS 140 Cb -0.13 -3.11 -0.09 0.00 1.11 0.00 0.00 32.58 30.36 1rtt s HIS 140 CO 0.20 -0.87 0.86 -1.25 -0.85 0.00 0.00 174.74 172.83 1rtt s PRO 141 N 0.29 4.06 0.65 8.40 0.04 -1.26 -1.25 135.00 145.94 1rtt s PRO 141 Ca 0.14 0.87 -0.16 0.00 0.04 0.00 0.00 61.00 61.88 1rtt s PRO 141 Cb -0.22 -2.29 -0.00 0.00 0.04 0.00 0.00 34.50 32.03 1rtt s PRO 141 CO -0.03 0.01 1.16 -0.51 0.04 0.00 0.00 177.00 177.67 1rtt s LEU 142 N -3.29 3.47 -0.15 -3.56 1.43 -0.01 -4.89 118.68 111.68 1rtt s LEU 142 Ca 0.58 2.22 0.17 0.00 -1.03 0.00 0.00 54.13 56.07 1rtt s LEU 142 Cb -0.10 -4.58 -0.25 0.00 0.03 0.00 0.00 46.19 41.30 1rtt s LEU 142 CO 0.19 -1.77 0.14 0.59 0.23 0.00 0.00 176.35 175.73 1rtt n ASN 143 N -2.19 0.43 -3.82 2.29 5.03 -1.26 -4.83 115.26 110.90 1rtt n ASN 143 Ca 0.12 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.45 1rtt n ASN 143 Cb 0.51 1.16 -0.12 0.00 -1.02 0.00 0.00 39.78 40.31 1rtt n ASN 143 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1rtt s LYS 144 N -2.65 0.25 0.80 3.52 1.02 -1.26 -4.37 119.74 117.05 1rtt s LYS 144 Ca -0.09 0.12 -0.10 0.00 0.02 0.00 0.00 55.97 55.92 1rtt s LYS 144 Cb 0.07 0.12 0.10 0.00 -0.52 0.00 0.00 37.83 37.60 1rtt s LYS 144 CO 0.77 -0.04 1.14 -1.25 -0.92 0.00 0.00 175.35 175.06 1rtt s PRO 145 N -0.17 1.76 0.03 -1.68 0.04 -1.26 -4.89 135.00 128.82 1rtt s PRO 145 Ca -0.03 -0.19 0.03 0.00 0.04 0.00 0.00 61.00 60.85 1rtt s PRO 145 Cb -0.02 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1rtt s PRO 145 CO 0.00 -1.63 -0.01 -1.21 0.04 0.00 0.00 177.00 174.20 1rtt s GLU 146 N -5.50 2.70 -0.25 4.56 2.02 -1.26 -4.91 118.70 116.05 1rtt s GLU 146 Ca 0.64 -0.69 0.01 0.00 0.02 0.00 0.00 54.97 54.95 1rtt s GLU 146 Cb -0.09 -2.62 0.07 0.00 0.10 0.00 0.00 34.13 31.59 1rtt s GLU 146 CO 0.48 0.60 -0.02 0.08 0.02 0.00 0.00 175.26 176.42 1rtt s VAL 147 N -1.14 1.52 -0.34 2.63 1.01 -1.26 -5.02 120.40 117.80 1rtt s VAL 147 Ca 0.21 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.84 1rtt s VAL 147 Cb -0.12 -1.87 0.11 0.00 0.00 0.00 0.00 36.38 34.50 1rtt s VAL 147 CO 0.12 -0.23 0.12 -0.04 0.00 0.00 0.00 175.10 175.07 1rtt s MET 148 N 1.37 0.91 -0.44 2.72 -1.94 -1.26 -2.25 119.30 118.41 1rtt s MET 148 Ca -0.02 -1.35 -0.24 0.00 -1.71 0.00 0.00 55.69 52.37 1rtt s MET 148 Cb -0.19 -2.18 0.02 0.00 2.01 0.00 0.00 34.83 34.49 1rtt s MET 148 CO -0.09 -1.02 0.83 0.42 -0.01 0.00 0.00 175.02 175.15 1rtt s ILE 149 N 1.28 4.61 0.37 2.53 1.01 -0.10 -4.68 121.20 126.22 1rtt s ILE 149 Ca 0.12 0.62 0.05 0.00 0.00 0.00 0.00 60.65 61.44 1rtt s ILE 149 Cb -0.19 -4.33 -0.01 0.00 0.01 0.00 0.00 42.46 37.94 1rtt s ILE 149 CO -0.18 -0.69 0.52 -0.94 0.00 0.00 0.00 174.94 173.65 1rtt s SER 150 N 2.11 5.93 -1.59 3.58 1.04 -1.26 -0.61 113.70 122.91 1rtt s SER 150 Ca 0.32 -0.06 -0.12 0.00 0.48 0.00 0.00 55.95 56.58 1rtt s SER 150 Cb -0.12 -1.31 0.10 0.00 0.10 0.00 0.00 66.02 64.79 1rtt s SER 150 CO 0.23 -0.50 0.66 -1.20 0.98 0.00 0.00 173.24 173.40 1rtt n SER 151 N -1.76 -2.31 0.24 7.02 7.64 -0.73 -4.79 113.62 118.94 1rtt n SER 151 Ca 0.00 -1.00 0.17 0.00 1.01 0.00 0.00 58.87 59.06 1rtt n SER 151 Cb 0.58 -2.91 0.82 0.00 -1.01 0.00 0.00 64.21 61.69 1rtt n SER 151 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rtt h ALA 152 N 0.89 1.62 0.00 -0.43 0.00 -1.21 -1.24 119.26 118.89 1rtt h ALA 152 Ca -0.61 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 1rtt h ALA 152 Cb 1.38 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1rtt h ALA 152 CO 0.72 -0.41 -0.01 -0.56 0.00 0.00 0.00 179.25 178.99 1rtt h GLN 153 N 0.00 0.00 -0.07 0.00 -0.00 -1.87 -1.13 115.11 112.04 1rtt h GLN 153 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.72 1rtt h GLN 153 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.22 1rtt h GLN 153 CO -0.00 0.01 0.00 0.09 -0.00 0.00 0.00 178.83 178.93 1rtt n ASN 154 N -3.18 2.42 0.07 0.06 3.02 -0.47 -4.44 115.26 112.74 1rtt n ASN 154 Ca -0.02 -1.69 0.02 0.00 -0.03 0.00 0.00 54.58 52.86 1rtt n ASN 154 Cb 0.12 -0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.21 1rtt n ASN 154 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rtt h ALA 155 N 3.08 0.64 -3.09 5.41 0.00 -1.27 -3.46 119.26 120.57 1rtt h ALA 155 Ca 0.00 -0.63 -0.63 0.00 0.00 0.00 0.00 54.91 53.65 1rtt h ALA 155 Cb 0.68 0.16 -0.18 0.00 0.00 0.00 0.00 17.79 18.44 1rtt h ALA 155 CO 0.00 0.71 -0.81 -0.06 0.00 0.00 0.00 179.25 179.08 1rtt s PHE 156 N -3.00 2.22 0.00 0.00 0.40 -1.22 -0.13 117.98 116.26 1rtt s PHE 156 Ca -0.01 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 1rtt s PHE 156 Cb 0.08 -1.09 0.00 0.00 0.51 0.00 0.00 43.02 42.52 1rtt s PHE 156 CO 0.79 0.49 0.00 -0.40 0.70 0.00 0.00 175.22 176.80 1rtt n ASP 157 N 0.22 0.00 -4.76 1.36 5.75 -1.16 -4.96 116.55 113.00 1rtt n ASP 157 Ca -0.12 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.27 1rtt n ASP 157 Cb 0.56 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.66 1rtt n ASP 157 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1rtt s ALA 158 N -2.63 3.13 0.00 2.12 0.00 -1.26 -4.33 121.76 118.79 1rtt s ALA 158 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1rtt s ALA 158 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1rtt s ALA 158 CO 0.00 -1.02 0.00 0.94 0.00 0.00 0.00 175.76 175.68 1rtt n GLN 159 N -0.27 0.00 -1.77 0.00 7.27 -1.26 -3.57 117.38 117.78 1rtt n GLN 159 Ca 0.06 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 57.10 1rtt n GLN 159 Cb 0.44 0.00 0.04 0.00 2.41 0.00 0.00 30.24 33.13 1rtt n GLN 159 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1rtt n GLY 160 N 0.00 0.77 3.80 1.69 0.00 -1.26 -5.01 105.19 105.18 1rtt n GLY 160 Ca 0.00 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1rtt n GLY 160 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rtt s ARG 161 N 0.06 4.33 -0.17 1.61 0.52 -1.23 -4.70 118.95 119.36 1rtt s ARG 161 Ca 0.04 1.23 -0.20 0.00 -0.52 0.00 0.00 55.73 56.28 1rtt s ARG 161 Cb 0.20 -2.42 -0.03 0.00 0.52 0.00 0.00 34.95 33.22 1rtt s ARG 161 CO -0.06 0.05 0.60 -0.51 0.02 0.00 0.00 175.30 175.41 1rtt s LEU 162 N -2.76 4.19 0.07 2.53 1.43 -1.26 -2.99 118.68 119.89 1rtt s LEU 162 Ca 0.58 0.85 0.23 0.00 -1.03 0.00 0.00 54.13 54.76 1rtt s LEU 162 Cb -0.14 -2.86 -0.05 0.00 0.03 0.00 0.00 46.19 43.17 1rtt s LEU 162 CO 0.18 -0.20 0.91 0.18 0.23 0.00 0.00 176.35 177.65 1rtt n LEU 163 N 4.65 0.55 -4.45 1.79 4.77 0.82 -4.74 117.00 120.38 1rtt n LEU 163 Ca -0.03 0.07 -0.43 0.00 -0.03 0.00 0.00 56.01 55.59 1rtt n LEU 163 Cb 0.50 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 1rtt n LEU 163 CO 0.44 -0.03 0.79 -0.62 -1.33 0.00 0.00 177.39 176.65 1rtt s ASP 164 N -4.43 6.23 0.43 -1.43 -1.08 -1.25 -4.88 116.67 110.26 1rtt s ASP 164 Ca 0.00 -1.11 0.16 0.00 -0.52 0.00 0.00 52.55 51.08 1rtt s ASP 164 Cb 0.13 -2.42 0.95 0.00 -1.46 0.00 0.00 42.92 40.12 1rtt s ASP 164 CO 0.82 -1.41 1.92 0.44 0.52 0.00 0.00 175.17 177.47 1rtt h ASP 165 N 9.50 0.00 -0.45 -0.34 3.32 -1.97 -1.96 116.42 124.51 1rtt h ASP 165 Ca -0.23 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.80 1rtt h ASP 165 Cb 1.06 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 1rtt h ASP 165 CO 1.18 0.26 0.20 0.50 -1.72 0.00 0.00 179.24 179.66 1rtt h LYS 166 N 0.00 0.66 -0.64 3.56 3.64 -1.99 0.07 116.57 121.88 1rtt h LYS 166 Ca -0.00 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 1rtt h LYS 166 Cb 0.49 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1rtt h LYS 166 CO 0.03 0.59 0.28 0.00 -2.27 0.00 0.00 179.45 178.08 1rtt h ALA 167 N 1.04 0.82 -0.86 5.00 0.00 -1.85 -1.58 119.26 121.85 1rtt h ALA 167 Ca 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1rtt h ALA 167 Cb 0.15 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1rtt h ALA 167 CO -0.02 0.42 0.47 0.00 0.00 0.00 0.00 179.25 180.12 1rtt h ARG 168 N 0.89 1.20 -0.24 0.00 3.08 -0.93 -1.14 114.38 117.24 1rtt h ARG 168 Ca 0.22 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1rtt h ARG 168 Cb 0.17 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1rtt h ARG 168 CO -0.02 0.88 0.04 0.93 -1.07 0.00 0.00 179.97 180.73 1rtt h GLU 169 N 1.20 0.39 -0.67 0.04 5.08 -0.55 -1.07 114.58 119.01 1rtt h GLU 169 Ca 0.30 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1rtt h GLU 169 Cb 0.03 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1rtt h GLU 169 CO -0.05 0.52 0.30 -0.07 -1.00 0.00 0.00 179.01 178.71 1rtt h LEU 170 N 0.20 0.90 -0.82 1.33 3.38 -1.06 -0.12 115.31 119.12 1rtt h LEU 170 Ca 0.07 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1rtt h LEU 170 Cb 0.32 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1rtt h LEU 170 CO 0.00 0.80 0.36 0.40 0.09 0.00 0.00 178.44 180.10 1rtt h ILE 171 N 0.94 1.26 -0.58 1.22 2.04 -1.13 -1.10 117.51 120.16 1rtt h ILE 171 Ca 0.23 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 1rtt h ILE 171 Cb 0.16 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 1rtt h ILE 171 CO -0.02 0.33 0.27 -0.61 0.00 0.00 0.00 178.15 178.12 1rtt h GLN 172 N 1.19 0.81 -0.43 2.37 4.15 -0.53 -2.47 115.11 120.21 1rtt h GLN 172 Ca 0.28 -0.10 -0.09 0.00 0.77 0.00 0.00 58.65 59.51 1rtt h GLN 172 Cb 0.17 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 1rtt h GLN 172 CO -0.03 0.64 -0.07 1.96 -1.93 0.00 0.00 178.83 179.39 1rtt h GLN 173 N 0.81 0.81 -0.31 1.69 4.20 0.04 -1.98 115.11 120.37 1rtt h GLN 173 Ca 0.20 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1rtt h GLN 173 Cb 0.09 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1rtt h GLN 173 CO -0.03 0.91 0.18 1.96 -0.67 0.00 0.00 178.83 181.19 1rtt h GLN 174 N 0.63 0.43 -0.58 1.46 4.20 -0.89 -0.46 115.11 119.89 1rtt h GLN 174 Ca 0.11 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 1rtt h GLN 174 Cb 0.60 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 1rtt h GLN 174 CO 0.04 0.34 0.22 -0.07 -0.67 0.00 0.00 178.83 178.69 1rtt h LEU 175 N 0.39 0.78 -1.16 1.46 3.38 -1.42 0.38 115.31 119.12 1rtt h LEU 175 Ca 0.11 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1rtt h LEU 175 Cb 0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1rtt h LEU 175 CO -0.02 0.71 -0.38 1.56 0.09 0.00 0.00 178.44 180.39 1rtt h GLN 176 N 0.84 0.00 -0.07 1.13 4.20 -0.94 -2.22 115.11 118.05 1rtt h GLN 176 Ca 0.20 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.75 1rtt h GLN 176 Cb 0.18 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.97 1rtt h GLN 176 CO -0.02 0.38 -0.58 0.00 -0.67 0.00 0.00 178.83 177.94 1rtt h ALA 177 N 1.62 0.16 -0.94 3.87 0.00 0.28 -2.81 119.26 121.45 1rtt h ALA 177 Ca -0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1rtt h ALA 177 Cb 0.76 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1rtt h ALA 177 CO 0.05 0.41 0.57 -0.07 0.00 0.00 0.00 179.25 180.21 1rtt h LEU 178 N 0.10 1.12 -0.26 0.00 3.38 -0.84 -2.12 115.31 116.68 1rtt h LEU 178 Ca -0.05 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1rtt h LEU 178 Cb 1.25 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1rtt h LEU 178 CO 0.12 0.85 0.09 -0.61 0.09 0.00 0.00 178.44 178.98 1rtt h GLN 179 N 1.29 0.21 0.00 1.13 4.15 -1.40 -3.51 115.11 116.98 1rtt h GLN 179 Ca 0.34 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.74 1rtt h GLN 179 Cb -0.07 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.57 1rtt h GLN 179 CO -0.06 0.14 0.00 1.28 -1.93 0.00 0.00 178.83 178.25