#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1z s PRO 8 N 0.00 3.48 0.93 1.97 0.05 -1.26 -4.96 135.00 135.20 3a1z s PRO 8 Ca 0.00 -0.58 -0.14 0.00 0.05 0.00 0.00 61.00 60.33 3a1z s PRO 8 Cb 0.00 -3.03 0.15 0.00 0.05 0.00 0.00 34.50 31.67 3a1z s PRO 8 CO 0.00 -0.10 1.18 0.00 0.05 0.00 0.00 177.00 178.13 3a1z s LYS 10 N -5.46 1.74 0.00 0.00 1.02 -1.26 0.19 119.74 115.97 3a1z s LYS 10 Ca 0.66 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 56.01 3a1z s LYS 10 Cb -0.12 -1.55 0.00 0.00 -0.52 0.00 0.00 37.83 35.64 3a1z s LYS 10 CO 0.53 0.29 0.00 -0.11 -0.92 0.00 0.00 175.35 175.14 3a1z n LEU 11 N 2.99 0.00 0.00 3.17 0.00 -1.26 -1.61 117.00 120.29 3a1z n LEU 11 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.84 3a1z n LEU 11 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.95 3a1z n LEU 11 CO 0.25 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.25 3a1z n GLY 12 N 0.00 1.36 3.56 -3.96 0.00 -1.26 -4.91 105.19 99.97 3a1z n GLY 12 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3a1z n GLY 12 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a1z s ASP 13 N -1.61 5.18 0.04 1.61 -1.08 -0.63 -4.84 116.67 115.33 3a1z s ASP 13 Ca 0.00 -0.17 -0.15 0.00 -0.52 0.00 0.00 52.55 51.71 3a1z s ASP 13 Cb 0.00 -2.54 -0.34 0.00 -1.46 0.00 0.00 42.92 38.57 3a1z s ASP 13 CO 0.00 -2.59 1.02 0.24 0.52 0.00 0.00 175.17 174.37 3a1z h MET 14 N 13.14 0.56 0.00 4.34 2.86 -1.88 -2.33 114.93 131.62 3a1z h MET 14 Ca -0.08 -0.91 -0.00 0.00 -2.06 0.00 0.00 59.70 56.65 3a1z h MET 14 Cb 1.08 0.33 -0.00 0.00 0.06 0.00 0.00 31.60 33.07 3a1z h MET 14 CO 1.21 1.43 -0.02 -0.56 1.06 0.00 0.00 176.91 180.04 3a1z h GLN 15 N 0.17 0.00 0.13 1.72 -0.00 -1.89 -1.31 115.11 113.92 3a1z h GLN 15 Ca -0.24 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.21 3a1z h GLN 15 Cb 2.13 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 29.63 3a1z h GLN 15 CO 0.27 0.02 -0.84 0.00 -0.00 0.00 0.00 178.83 178.28 3a1z h LEU 17 N -0.30 -0.80 -0.90 0.00 3.38 -0.87 -0.58 115.31 115.24 3a1z h LEU 17 Ca -0.14 0.07 0.25 0.00 0.09 0.00 0.00 57.88 58.15 3a1z h LEU 17 Cb 1.64 0.27 -0.15 0.00 0.09 0.00 0.00 40.66 42.51 3a1z h LEU 17 CO 0.16 -0.43 0.20 0.28 0.09 0.00 0.00 178.44 178.74 3a1z h SER 18 N -0.63 -0.10 0.69 -0.43 0.02 -1.32 0.11 113.55 111.89 3a1z h SER 18 Ca -0.01 0.22 -0.13 0.00 -0.84 0.00 0.00 61.79 61.02 3a1z h SER 18 Cb 0.58 0.32 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 3a1z h SER 18 CO -0.06 -0.21 -0.62 -1.28 -1.14 0.00 0.00 176.83 173.52 3a1z h SER 19 N 0.15 0.00 -0.00 3.07 0.87 -0.47 -1.15 113.55 116.02 3a1z h SER 19 Ca 0.57 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 61.11 3a1z h SER 19 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 3a1z h SER 19 CO -0.72 0.62 -0.09 0.00 -0.53 0.00 0.00 176.83 176.11 3a1z h ALA 20 N 1.38 0.02 0.03 6.23 0.00 0.59 0.38 119.26 127.89 3a1z h ALA 20 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3a1z h ALA 20 Cb 1.13 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3a1z h ALA 20 CO 0.08 -0.04 -0.05 1.15 0.00 0.00 0.00 179.25 180.39 3a1z h THR 21 N -0.66 0.00 -0.76 0.00 2.02 -0.83 0.71 112.91 113.39 3a1z h THR 21 Ca -0.01 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.35 3a1z h THR 21 Cb 0.85 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.11 3a1z h THR 21 CO 0.02 0.00 -0.10 1.21 0.37 0.00 0.00 175.52 177.02 3a1z n GLU 22 N -2.68 -0.06 -0.20 6.66 2.13 -0.44 0.71 120.64 126.76 3a1z n GLU 22 Ca -0.01 1.16 -0.07 0.00 0.66 0.00 0.00 57.16 58.90 3a1z n GLU 22 Cb 0.04 -1.78 0.07 0.00 0.27 0.00 0.00 31.44 30.04 3a1z n GLU 22 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 3a1z h GLN 23 N 0.00 1.02 -0.25 5.31 4.20 0.11 -2.68 115.11 122.83 3a1z h GLN 23 Ca 0.41 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 3a1z h GLN 23 Cb 0.73 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 3a1z h GLN 23 CO -0.75 0.97 0.01 0.35 -0.67 0.00 0.00 178.83 178.75 3a1z h PHE 24 N 0.94 0.46 -0.30 2.96 3.57 0.63 -2.64 116.94 122.57 3a1z h PHE 24 Ca 0.18 -0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.63 3a1z h PHE 24 Cb 0.49 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 3a1z h PHE 24 CO 0.03 0.58 0.13 -0.07 -2.23 0.00 0.00 178.31 176.75 3a1z h LEU 25 N 0.21 0.18 0.50 0.59 3.38 -1.16 -1.54 115.31 117.47 3a1z h LEU 25 Ca 0.07 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3a1z h LEU 25 Cb 0.39 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3a1z h LEU 25 CO 0.01 0.14 -0.29 -0.08 0.09 0.00 0.00 178.44 178.30 3a1z h GLU 26 N 0.28 -0.72 -0.90 1.13 4.81 -1.48 0.83 114.58 118.53 3a1z h GLU 26 Ca 0.13 0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.51 3a1z h GLU 26 Cb 0.07 0.16 -0.08 0.00 0.63 0.00 0.00 28.75 29.54 3a1z h GLU 26 CO -0.11 -0.48 0.54 0.87 -0.73 0.00 0.00 179.01 179.10 3a1z h LYS 27 N -0.75 0.87 -0.10 1.92 1.79 -1.42 -2.88 116.57 116.00 3a1z h LYS 27 Ca -0.06 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 3a1z h LYS 27 Cb 0.61 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 3a1z h LYS 27 CO 0.07 0.57 0.00 0.25 -1.08 0.00 0.00 179.45 179.26 3a1z n THR 28 N -4.68 0.11 -0.27 -0.16 -2.24 -0.59 -4.60 114.28 101.86 3a1z n THR 28 Ca 0.15 -0.41 0.20 0.00 -2.27 0.00 0.00 64.05 61.72 3a1z n THR 28 Cb 0.29 0.82 0.37 0.00 -2.10 0.00 0.00 70.33 69.71 3a1z n THR 28 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3a1z n SER 29 N 0.71 0.11 0.03 3.42 7.64 0.26 0.25 113.62 126.04 3a1z n SER 29 Ca 0.17 1.37 0.11 0.00 1.01 0.00 0.00 58.87 61.53 3a1z n SER 29 Cb 0.45 -0.59 0.45 0.00 -1.01 0.00 0.00 64.21 63.51 3a1z n SER 29 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3a1z n LYS 30 N -4.99 0.05 -0.12 1.43 4.01 -1.26 0.20 118.16 117.48 3a1z n LYS 30 Ca 0.26 0.19 0.00 0.00 -0.51 0.00 0.00 58.31 58.24 3a1z n LYS 30 Cb 0.86 -1.58 0.00 0.00 -0.51 0.00 0.00 35.03 33.80 3a1z n LYS 30 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3a1z n GLY 31 N 0.63 -3.05 3.03 0.72 0.00 0.68 -4.23 105.19 102.97 3a1z n GLY 31 Ca 0.05 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 3a1z n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1z s ILE 32 N -2.57 2.61 0.17 -0.61 1.01 -0.24 -4.82 121.20 116.75 3a1z s ILE 32 Ca 0.00 -2.53 -0.18 0.00 0.00 0.00 0.00 60.65 57.93 3a1z s ILE 32 Cb 0.00 -2.86 0.11 0.00 0.01 0.00 0.00 42.46 39.72 3a1z s ILE 32 CO 0.00 -0.67 1.64 -0.65 0.00 0.00 0.00 174.94 175.25 3a1z h PRO 33 N 7.43 -0.09 0.00 2.79 0.11 -1.92 -1.26 132.00 139.05 3a1z h PRO 33 Ca -0.06 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3a1z h PRO 33 Cb 0.99 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3a1z h PRO 33 CO 0.60 -0.06 0.25 0.37 -0.21 0.00 0.00 178.00 178.95 3a1z h GLN 34 N -0.09 0.00 -0.13 1.05 4.15 -1.94 0.14 115.11 118.30 3a1z h GLN 34 Ca 0.21 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.63 3a1z h GLN 34 Cb 0.41 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.10 3a1z h GLN 34 CO -0.49 0.00 0.00 0.66 -1.93 0.00 0.00 178.83 177.07 3a1z n TYR 35 N -2.54 0.44 -3.93 3.99 4.01 -0.54 -4.97 117.16 113.62 3a1z n TYR 35 Ca -0.02 -0.91 -0.26 0.00 -0.16 0.00 0.00 57.90 56.56 3a1z n TYR 35 Cb 0.29 -0.22 -0.01 0.00 -0.31 0.00 0.00 39.34 39.09 3a1z n TYR 35 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3a1z n ASP 36 N -0.91 -0.77 -4.41 7.72 2.03 0.50 -4.92 116.55 115.79 3a1z n ASP 36 Ca 0.18 -0.97 -0.36 0.00 0.52 0.00 0.00 54.79 54.16 3a1z n ASP 36 Cb 0.73 -3.21 -0.13 0.00 -0.72 0.00 0.00 41.12 37.79 3a1z n ASP 36 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3a1z s ILE 37 N -3.85 3.95 0.44 5.18 1.01 -0.84 -4.82 121.20 122.28 3a1z s ILE 37 Ca 0.07 -0.30 -0.16 0.00 0.00 0.00 0.00 60.65 60.27 3a1z s ILE 37 Cb -0.04 -2.82 -0.08 0.00 0.01 0.00 0.00 42.46 39.53 3a1z s ILE 37 CO 0.88 0.39 0.89 0.26 0.00 0.00 0.00 174.94 177.36 3a1z s TRP 38 N 1.38 3.42 0.19 3.97 0.51 -1.26 -1.08 118.94 126.06 3a1z s TRP 38 Ca 0.05 1.36 -0.31 0.00 -2.12 0.00 0.00 56.10 55.08 3a1z s TRP 38 Cb -0.15 -2.69 -0.10 0.00 -0.81 0.00 0.00 33.47 29.73 3a1z s TRP 38 CO 0.01 -0.19 1.49 -2.14 -0.51 0.00 0.00 176.95 175.61 3a1z s PRO 39 N -3.69 4.25 0.00 4.98 0.02 -1.26 -4.05 135.00 135.25 3a1z s PRO 39 Ca 0.57 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.89 3a1z s PRO 39 Cb -0.10 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.27 3a1z s PRO 39 CO 0.26 -0.51 0.71 0.44 -0.33 0.00 0.00 177.00 177.56 3a1z n ILE 40 N 3.34 0.49 -3.15 2.83 -5.35 0.13 -4.71 119.36 112.94 3a1z n ILE 40 Ca 0.11 -0.55 0.04 0.00 -0.27 0.00 0.00 62.75 62.08 3a1z n ILE 40 Cb 0.40 0.83 -0.01 0.00 -1.74 0.00 0.00 39.64 39.12 3a1z n ILE 40 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3a1z s ASP 41 N -0.49 -1.35 0.54 7.28 -1.08 -1.22 -3.69 116.67 116.65 3a1z s ASP 41 Ca 0.00 0.47 -0.16 0.00 -0.52 0.00 0.00 52.55 52.34 3a1z s ASP 41 Cb 0.00 1.98 -0.06 0.00 -1.46 0.00 0.00 42.92 43.38 3a1z s ASP 41 CO 0.00 -0.25 1.01 -2.16 0.52 0.00 0.00 175.17 174.29 3a1z s PRO 42 N 2.86 3.75 -0.21 4.34 0.04 -1.26 -4.59 135.00 139.93 3a1z s PRO 42 Ca 0.15 1.02 -0.08 0.00 0.04 0.00 0.00 61.00 62.13 3a1z s PRO 42 Cb -0.11 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 3a1z s PRO 42 CO -0.23 -0.44 0.09 -1.17 0.04 0.00 0.00 177.00 175.29 3a1z s LEU 43 N -4.24 3.88 -0.19 -3.56 2.96 0.50 -4.91 118.68 113.12 3a1z s LEU 43 Ca 0.60 0.07 -0.07 0.00 -0.22 0.00 0.00 54.13 54.50 3a1z s LEU 43 Cb -0.12 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 3a1z s LEU 43 CO 0.34 0.12 0.07 -0.69 -1.32 0.00 0.00 176.35 174.87 3a1z s VAL 44 N 0.69 4.75 -0.28 1.68 1.01 -1.26 0.70 120.40 127.70 3a1z s VAL 44 Ca 0.05 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.01 3a1z s VAL 44 Cb -0.13 -3.15 0.06 0.00 0.00 0.00 0.00 36.38 33.16 3a1z s VAL 44 CO 0.02 0.44 -0.07 -0.69 0.00 0.00 0.00 175.10 174.79 3a1z s VAL 45 N 0.56 2.29 0.16 2.92 1.01 0.18 -4.97 120.40 122.55 3a1z s VAL 45 Ca 0.03 -1.70 -0.22 0.00 0.00 0.00 0.00 61.98 60.09 3a1z s VAL 45 Cb -0.13 -2.39 0.06 0.00 0.00 0.00 0.00 36.38 33.92 3a1z s VAL 45 CO 0.01 -0.11 1.61 0.74 0.00 0.00 0.00 175.10 177.35 3a1z h THR 46 N 6.71 0.30 -3.32 3.92 2.02 -1.93 0.38 112.91 120.99 3a1z h THR 46 Ca -0.17 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 3a1z h THR 46 Cb 1.04 0.30 -0.11 0.00 -1.74 0.00 0.00 68.15 67.64 3a1z h THR 46 CO 0.48 0.00 0.01 -0.94 0.37 0.00 0.00 175.52 175.44 3a1z s SER 47 N -5.06 -0.27 -0.28 4.18 1.04 -1.26 -1.89 113.70 110.16 3a1z s SER 47 Ca -0.15 -0.43 -0.18 0.00 0.48 0.00 0.00 55.95 55.68 3a1z s SER 47 Cb 0.13 0.56 0.08 0.00 0.10 0.00 0.00 66.02 66.89 3a1z s SER 47 CO 0.68 -1.00 0.72 -0.22 0.98 0.00 0.00 173.24 174.40 3a1z s LEU 48 N -2.85 -0.87 0.05 2.42 2.96 -0.53 -4.98 118.68 114.87 3a1z s LEU 48 Ca 0.08 1.45 0.05 0.00 -0.22 0.00 0.00 54.13 55.49 3a1z s LEU 48 Cb -0.00 2.36 -0.04 0.00 0.50 0.00 0.00 46.19 49.01 3a1z s LEU 48 CO -0.05 -0.23 -0.07 -1.81 -1.32 0.00 0.00 176.35 172.87 3a1z s ASP 49 N 1.35 4.60 -0.08 3.68 1.01 -1.26 0.12 116.67 126.08 3a1z s ASP 49 Ca -0.08 -0.24 -0.03 0.00 0.71 0.00 0.00 52.55 52.91 3a1z s ASP 49 Cb -0.05 -1.01 0.04 0.00 1.01 0.00 0.00 42.92 42.92 3a1z s ASP 49 CO -0.15 0.23 0.16 -0.69 0.21 0.00 0.00 175.17 174.92 3a1z s VAL 50 N -1.12 -0.19 -0.03 -1.27 1.01 -0.26 -4.96 120.40 113.57 3a1z s VAL 50 Ca 0.20 0.30 -0.15 0.00 0.00 0.00 0.00 61.98 62.33 3a1z s VAL 50 Cb -0.11 -0.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 3a1z s VAL 50 CO 0.11 0.12 0.39 -0.63 0.00 0.00 0.00 175.10 175.10 3a1z s ILE 51 N 1.93 5.09 0.21 2.22 1.01 -1.26 0.04 121.20 130.44 3a1z s ILE 51 Ca -0.01 0.80 -0.32 0.00 0.00 0.00 0.00 60.65 61.12 3a1z s ILE 51 Cb -0.12 -3.70 -0.12 0.00 0.01 0.00 0.00 42.46 38.52 3a1z s ILE 51 CO -0.06 0.54 1.66 0.00 0.00 0.00 0.00 174.94 177.08 3a1z n ALA 52 N 2.17 2.41 0.23 9.38 0.00 -0.71 -4.86 120.51 129.14 3a1z n ALA 52 Ca -0.13 0.41 0.09 0.00 0.00 0.00 0.00 53.44 53.80 3a1z n ALA 52 Cb 0.52 -2.47 0.57 0.00 0.00 0.00 0.00 19.45 18.07 3a1z n ALA 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3a1z h PRO 53 N 6.15 0.00 -0.66 0.00 0.11 -1.92 -2.99 132.00 132.68 3a1z h PRO 53 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3a1z h PRO 53 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3a1z h PRO 53 CO 0.91 0.21 0.00 -1.13 -0.21 0.00 0.00 178.00 177.78 3a1z n SER 54 N -3.74 3.79 -3.11 -2.05 3.41 -1.26 -4.79 113.62 105.87 3a1z n SER 54 Ca -0.01 -2.01 0.05 0.00 -0.26 0.00 0.00 58.87 56.64 3a1z n SER 54 Cb 0.32 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 3a1z n SER 54 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3a1z s ASP 55 N -1.00 -0.41 0.00 4.04 -1.08 -1.13 -5.01 116.67 112.08 3a1z s ASP 55 Ca 0.44 0.02 0.11 0.00 -0.52 0.00 0.00 52.55 52.60 3a1z s ASP 55 Cb 0.23 1.18 0.54 0.00 -1.46 0.00 0.00 42.92 43.41 3a1z s ASP 55 CO 0.30 -0.07 1.24 0.00 0.52 0.00 0.00 175.17 177.16 3a1z n ALA 56 N 4.95 1.66 0.89 3.66 0.00 -1.25 -1.28 120.51 129.14 3a1z n ALA 56 Ca 0.09 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.57 3a1z n ALA 56 Cb 0.58 -1.18 0.47 0.00 0.00 0.00 0.00 19.45 19.32 3a1z n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a1z n GLY 57 N -0.37 -0.83 3.20 0.00 0.00 -1.26 -4.78 105.19 101.16 3a1z n GLY 57 Ca 0.05 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 3a1z n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1z s ILE 58 N -2.48 1.82 -0.02 -0.61 1.01 -0.41 -2.19 121.20 118.32 3a1z s ILE 58 Ca 0.19 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.94 3a1z s ILE 58 Cb 0.12 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 41.04 3a1z s ILE 58 CO 0.26 0.51 -0.06 -0.69 0.00 0.00 0.00 174.94 174.96 3a1z s VAL 59 N 0.08 0.57 -0.19 2.92 1.01 -0.77 -1.74 120.40 122.27 3a1z s VAL 59 Ca -0.08 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 3a1z s VAL 59 Cb -0.14 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 3a1z s VAL 59 CO 0.05 0.20 0.01 -0.63 0.00 0.00 0.00 175.10 174.72 3a1z s ILE 60 N 0.36 4.12 -0.25 2.22 -1.09 0.11 -1.37 121.20 125.29 3a1z s ILE 60 Ca -0.05 -0.26 -0.03 0.00 -2.23 0.00 0.00 60.65 58.08 3a1z s ILE 60 Cb -0.09 -2.86 0.02 0.00 -1.58 0.00 0.00 42.46 37.95 3a1z s ILE 60 CO 0.00 0.44 -0.03 -0.13 -1.23 0.00 0.00 174.94 173.99 3a1z s ARG 61 N 0.84 2.97 -0.08 2.79 0.52 -0.46 -1.10 118.95 124.43 3a1z s ARG 61 Ca 0.01 -0.90 -0.10 0.00 -0.52 0.00 0.00 55.73 54.22 3a1z s ARG 61 Cb -0.14 -3.07 -0.05 0.00 0.52 0.00 0.00 34.95 32.21 3a1z s ARG 61 CO 0.02 -0.38 0.24 -0.06 0.02 0.00 0.00 175.30 175.15 3a1z s PHE 62 N 1.39 3.63 0.12 -0.53 0.08 0.12 -0.93 117.98 121.86 3a1z s PHE 62 Ca 0.02 0.69 0.06 0.00 0.12 0.00 0.00 56.93 57.82 3a1z s PHE 62 Cb -0.16 -2.09 -0.04 0.00 -0.57 0.00 0.00 43.02 40.16 3a1z s PHE 62 CO -0.03 0.67 -0.14 0.15 -0.10 0.00 0.00 175.22 175.77 3a1z s LYS 63 N -0.93 1.03 -1.46 0.44 1.02 0.15 -1.45 119.74 118.54 3a1z s LYS 63 Ca 0.18 -1.25 -0.09 0.00 0.02 0.00 0.00 55.97 54.83 3a1z s LYS 63 Cb -0.14 -0.92 0.04 0.00 -0.52 0.00 0.00 37.83 36.29 3a1z s LYS 63 CO 0.07 0.18 0.87 0.09 -0.92 0.00 0.00 175.35 175.64 3a1z n ASN 64 N 0.53 -5.48 -4.68 2.83 3.02 -0.79 -1.31 115.26 109.37 3a1z n ASN 64 Ca -0.15 -0.52 -0.45 0.00 -0.03 0.00 0.00 54.58 53.42 3a1z n ASN 64 Cb 0.57 -4.38 -0.04 0.00 -0.61 0.00 0.00 39.78 35.32 3a1z n ASN 64 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3a1z n LEU 65 N -4.47 3.49 -4.20 3.41 4.77 0.13 -4.51 117.00 115.62 3a1z n LEU 65 Ca -0.02 1.03 -0.34 0.00 -0.03 0.00 0.00 56.01 56.66 3a1z n LEU 65 Cb 0.56 -1.46 -0.15 0.00 -2.33 0.00 0.00 43.42 40.04 3a1z n LEU 65 CO 0.62 -0.08 -0.48 0.21 -1.33 0.00 0.00 177.39 176.33 3a1z s ASN 66 N 2.04 3.56 -0.09 -1.43 3.84 0.11 0.50 114.94 123.48 3a1z s ASN 66 Ca 0.82 -0.55 0.01 0.00 0.21 0.00 0.00 52.86 53.35 3a1z s ASN 66 Cb -0.62 -1.57 0.02 0.00 -0.55 0.00 0.00 41.25 38.53 3a1z s ASN 66 CO 0.40 -0.00 -0.10 -0.63 -2.79 0.00 0.00 177.10 173.98 3a1z s ILE 67 N 1.32 1.07 0.10 -5.21 1.01 0.22 -0.40 121.20 119.31 3a1z s ILE 67 Ca 0.04 -0.38 0.09 0.00 0.00 0.00 0.00 60.65 60.40 3a1z s ILE 67 Cb -0.14 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 3a1z s ILE 67 CO -0.09 0.36 -0.22 0.42 0.00 0.00 0.00 174.94 175.41 3a1z s THR 68 N 1.15 1.79 0.00 2.92 -4.23 -0.25 0.19 115.64 117.22 3a1z s THR 68 Ca -0.05 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 3a1z s THR 68 Cb -0.14 -1.62 0.00 0.00 1.34 0.00 0.00 72.50 72.08 3a1z s THR 68 CO -0.02 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 3a1z n GLY 69 N 1.08 1.76 0.35 3.99 0.00 -1.26 -0.45 105.19 110.66 3a1z n GLY 69 Ca -0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.95 3a1z n GLY 69 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a1z h LEU 70 N 0.00 0.28 -1.27 0.99 3.38 -1.80 -1.61 115.31 115.27 3a1z h LEU 70 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3a1z h LEU 70 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3a1z h LEU 70 CO 0.00 0.17 0.00 0.07 0.09 0.00 0.00 178.44 178.77 3a1z h LYS 71 N 0.31 0.00 -0.44 1.13 2.10 -1.93 -0.00 116.57 117.74 3a1z h LYS 71 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 3a1z h LYS 71 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 3a1z h LYS 71 CO -0.06 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.48 3a1z n ASN 72 N -2.39 4.61 -4.73 7.07 3.02 -0.61 -4.55 115.26 117.69 3a1z n ASN 72 Ca 0.00 -2.82 -0.30 0.00 -0.03 0.00 0.00 54.58 51.43 3a1z n ASN 72 Cb 0.14 -0.58 0.12 0.00 -0.61 0.00 0.00 39.78 38.86 3a1z n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a1z s GLN 73 N -2.51 1.56 -0.22 3.52 -2.07 -0.02 -4.86 119.66 115.07 3a1z s GLN 73 Ca 0.47 0.98 -0.04 0.00 -1.82 0.00 0.00 55.36 54.95 3a1z s GLN 73 Cb 0.35 -1.83 -0.01 0.00 -1.09 0.00 0.00 33.01 30.43 3a1z s GLN 73 CO 0.14 -2.07 -0.04 -1.14 -1.32 0.00 0.00 175.29 170.86 3a1z s GLN 74 N -4.90 3.37 -0.36 9.60 2.00 0.07 -4.99 119.66 124.46 3a1z s GLN 74 Ca 0.63 -0.63 -0.24 0.00 -2.00 0.00 0.00 55.36 53.12 3a1z s GLN 74 Cb -0.18 -3.03 0.01 0.00 0.80 0.00 0.00 33.01 30.61 3a1z s GLN 74 CO 0.57 -0.21 0.81 0.42 -0.50 0.00 0.00 175.29 176.38 3a1z s ILE 75 N 1.48 4.71 -0.64 -2.34 1.09 -1.26 -1.90 121.20 122.34 3a1z s ILE 75 Ca 0.06 0.98 0.06 0.00 -1.10 0.00 0.00 60.65 60.64 3a1z s ILE 75 Cb -0.14 -4.23 0.22 0.00 -1.06 0.00 0.00 42.46 37.25 3a1z s ILE 75 CO -0.03 -0.44 0.65 -1.54 -0.10 0.00 0.00 174.94 173.49 3a1z n SER 76 N 6.47 3.24 0.00 3.58 3.41 0.23 -4.86 113.62 125.69 3a1z n SER 76 Ca 0.04 -3.31 0.00 0.00 -0.26 0.00 0.00 58.87 55.34 3a1z n SER 76 Cb 0.48 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 3a1z n SER 76 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3a1z n ASP 77 N 1.25 0.00 0.00 4.04 -0.08 -1.26 -4.55 116.55 115.95 3a1z n ASP 77 Ca 0.27 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.55 3a1z n ASP 77 Cb 0.40 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.86 3a1z n ASP 77 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 3a1z n PHE 78 N -0.79 0.00 -3.94 -0.67 -0.00 -1.26 -4.02 117.46 106.79 3a1z n PHE 78 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.16 3a1z n PHE 78 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 39.48 39.32 3a1z n PHE 78 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3a1z s GLN 79 N 0.00 1.72 -0.35 -4.13 -0.21 -0.56 -4.84 119.66 111.29 3a1z s GLN 79 Ca 0.00 -0.51 -0.01 0.00 0.02 0.00 0.00 55.36 54.86 3a1z s GLN 79 Cb 0.00 -1.99 0.09 0.00 1.00 0.00 0.00 33.01 32.11 3a1z s GLN 79 CO 0.00 -0.35 0.09 1.41 -2.12 0.00 0.00 175.29 174.32 3a1z s MET 80 N 1.58 2.05 -0.87 2.91 1.75 -1.26 -1.83 119.30 123.62 3a1z s MET 80 Ca 0.02 -1.63 -0.23 0.00 -1.25 0.00 0.00 55.69 52.61 3a1z s MET 80 Cb -0.14 -3.35 0.07 0.00 2.84 0.00 0.00 34.83 34.25 3a1z s MET 80 CO -0.08 -0.88 1.24 0.34 -0.65 0.00 0.00 175.02 174.99 3a1z s ASP 81 N 1.43 6.41 0.00 1.11 -1.08 -1.01 -4.84 116.67 118.69 3a1z s ASP 81 Ca 0.04 -1.34 0.13 0.00 -0.52 0.00 0.00 52.55 50.86 3a1z s ASP 81 Cb -0.21 -2.49 0.78 0.00 -1.46 0.00 0.00 42.92 39.54 3a1z s ASP 81 CO -0.04 -1.44 1.22 0.35 0.52 0.00 0.00 175.17 175.78 3a1z n THR 82 N 6.24 0.00 -0.07 1.71 -2.24 -1.26 0.18 114.28 118.84 3a1z n THR 82 Ca 0.18 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.90 3a1z n THR 82 Cb 0.49 -0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 68.10 3a1z n THR 82 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3a1z n LYS 83 N -0.87 0.40 0.24 -0.78 4.76 -1.26 -4.29 118.16 116.36 3a1z n LYS 83 Ca 0.10 0.30 0.11 0.00 -2.87 0.00 0.00 58.31 55.95 3a1z n LYS 83 Cb 0.04 -1.37 0.70 0.00 -1.84 0.00 0.00 35.03 32.57 3a1z n LYS 83 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3a1z h ALA 84 N -1.19 1.95 -2.10 7.82 0.00 -1.98 -3.47 119.26 120.29 3a1z h ALA 84 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3a1z h ALA 84 Cb 0.64 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.45 3a1z h ALA 84 CO 0.00 -0.07 -0.07 1.63 0.00 0.00 0.00 179.25 180.74 3a1z n LYS 85 N -4.37 -0.68 -4.16 0.00 4.76 0.13 -4.92 118.16 108.92 3a1z n LYS 85 Ca -0.02 0.08 -0.14 0.00 -2.87 0.00 0.00 58.31 55.37 3a1z n LYS 85 Cb 0.14 -2.83 -0.11 0.00 -1.84 0.00 0.00 35.03 30.40 3a1z n LYS 85 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3a1z s THR 86 N -3.03 0.86 0.10 -0.18 -4.23 -0.94 -1.01 115.64 107.21 3a1z s THR 86 Ca 0.02 -1.58 0.07 0.00 -1.18 0.00 0.00 61.69 59.02 3a1z s THR 86 Cb -0.01 -1.28 -0.03 0.00 1.34 0.00 0.00 72.50 72.52 3a1z s THR 86 CO 0.07 -0.56 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.72 3a1z s VAL 87 N -2.39 1.50 -0.01 2.29 1.01 0.82 -2.41 120.40 121.22 3a1z s VAL 87 Ca 0.04 -1.53 -0.00 0.00 0.00 0.00 0.00 61.98 60.48 3a1z s VAL 87 Cb -0.03 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.92 3a1z s VAL 87 CO -0.00 -0.18 0.01 -0.22 0.00 0.00 0.00 175.10 174.71 3a1z s LEU 88 N -2.00 1.61 -0.03 3.92 2.96 -0.76 -2.24 118.68 122.13 3a1z s LEU 88 Ca 0.05 0.02 -0.12 0.00 -0.22 0.00 0.00 54.13 53.86 3a1z s LEU 88 Cb -0.09 -0.02 0.02 0.00 0.50 0.00 0.00 46.19 46.60 3a1z s LEU 88 CO 0.04 -0.05 0.27 -1.48 -1.32 0.00 0.00 176.35 173.80 3a1z s LEU 89 N 0.44 1.02 -0.07 -0.68 2.34 -0.75 -1.50 118.68 119.49 3a1z s LEU 89 Ca -0.04 0.15 0.03 0.00 0.06 0.00 0.00 54.13 54.34 3a1z s LEU 89 Cb -0.05 1.07 -0.02 0.00 -0.56 0.00 0.00 46.19 46.62 3a1z s LEU 89 CO -0.01 -0.34 -0.16 -0.54 -1.06 0.00 0.00 176.35 174.24 3a1z s LYS 90 N -0.95 2.69 0.22 1.48 -0.14 -1.26 -1.24 119.74 120.53 3a1z s LYS 90 Ca -0.10 -0.73 0.09 0.00 -1.36 0.00 0.00 55.97 53.87 3a1z s LYS 90 Cb -0.05 -2.40 -0.05 0.00 -1.68 0.00 0.00 37.83 33.66 3a1z s LYS 90 CO 0.03 0.50 -0.16 0.95 -0.76 0.00 0.00 175.35 175.90 3a1z s THR 91 N -0.41 1.94 -0.08 2.17 -4.23 -0.74 -0.60 115.64 113.69 3a1z s THR 91 Ca 0.05 -2.22 -0.04 0.00 -1.18 0.00 0.00 61.69 58.30 3a1z s THR 91 Cb -0.12 -2.08 0.04 0.00 1.34 0.00 0.00 72.50 71.68 3a1z s THR 91 CO 0.02 -0.50 0.18 -0.75 -0.54 0.00 0.00 174.62 173.03 3a1z s LYS 92 N -3.47 0.13 -0.03 3.99 2.20 -0.80 -2.30 119.74 119.45 3a1z s LYS 92 Ca 0.23 0.42 -0.10 0.00 -0.36 0.00 0.00 55.97 56.16 3a1z s LYS 92 Cb -0.03 -0.16 0.01 0.00 -1.51 0.00 0.00 37.83 36.15 3a1z s LYS 92 CO 0.09 -0.16 0.22 0.00 -0.36 0.00 0.00 175.35 175.13 3a1z s ALA 93 N 1.19 -0.54 -0.38 3.13 0.00 -0.83 -0.75 121.76 123.58 3a1z s ALA 93 Ca -0.09 0.26 -0.08 0.00 0.00 0.00 0.00 51.96 52.05 3a1z s ALA 93 Cb -0.11 -0.07 0.06 0.00 0.00 0.00 0.00 23.12 23.00 3a1z s ALA 93 CO -0.07 -0.19 0.19 0.34 0.00 0.00 0.00 175.76 176.03 3a1z s ASP 94 N -0.86 5.51 -0.18 0.00 2.15 -1.26 -1.78 116.67 120.25 3a1z s ASP 94 Ca -0.09 -1.31 -0.05 0.00 0.43 0.00 0.00 52.55 51.52 3a1z s ASP 94 Cb -0.05 -1.94 -0.03 0.00 -0.30 0.00 0.00 42.92 40.60 3a1z s ASP 94 CO 0.02 -0.43 0.01 -0.76 -0.17 0.00 0.00 175.17 173.83 3a1z s LEU 95 N 1.42 3.41 -0.30 -1.34 1.43 -0.64 -4.25 118.68 118.41 3a1z s LEU 95 Ca 0.01 -0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 52.92 3a1z s LEU 95 Cb -0.21 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 3a1z s LEU 95 CO 0.03 0.13 0.14 -2.28 0.23 0.00 0.00 176.35 174.59 3a1z s HIS 96 N 0.62 3.16 -0.15 0.29 5.65 0.41 -2.91 115.29 122.36 3a1z s HIS 96 Ca -0.00 -0.53 0.01 0.00 0.25 0.00 0.00 55.06 54.79 3a1z s HIS 96 Cb -0.14 -2.33 -0.00 0.00 -1.18 0.00 0.00 32.58 28.93 3a1z s HIS 96 CO 0.02 -0.43 -0.17 0.42 -0.65 0.00 0.00 174.74 173.93 3a1z s ILE 97 N 1.61 2.55 -0.08 0.89 1.01 -0.55 -1.08 121.20 125.55 3a1z s ILE 97 Ca 0.05 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.88 3a1z s ILE 97 Cb -0.17 -2.06 0.02 0.00 0.01 0.00 0.00 42.46 40.27 3a1z s ILE 97 CO 0.06 0.52 -0.06 -0.69 0.00 0.00 0.00 174.94 174.78 3a1z s VAL 98 N 0.74 0.76 0.19 2.92 1.01 0.47 -0.93 120.40 125.56 3a1z s VAL 98 Ca -0.07 -0.17 -0.24 0.00 0.00 0.00 0.00 61.98 61.50 3a1z s VAL 98 Cb -0.16 -0.80 0.05 0.00 0.00 0.00 0.00 36.38 35.48 3a1z s VAL 98 CO 0.01 0.30 0.87 -0.83 0.00 0.00 0.00 175.10 175.45 3a1z s GLY 99 N 1.42 -0.19 0.26 4.51 0.00 0.53 0.06 107.32 113.91 3a1z s GLY 99 Ca -0.02 -0.00 -0.30 0.00 0.00 0.00 0.00 44.72 44.40 3a1z s GLY 99 CO -0.04 -0.02 1.34 0.99 0.00 0.00 0.00 173.10 175.38 3a1z s ASP 100 N -2.92 6.79 -0.02 1.64 1.01 -0.43 -0.76 116.67 121.99 3a1z s ASP 100 Ca 0.11 2.57 0.05 0.00 0.71 0.00 0.00 52.55 56.00 3a1z s ASP 100 Cb -0.03 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.26 3a1z s ASP 100 CO 0.03 -0.57 -0.17 -0.51 0.21 0.00 0.00 175.17 174.16 3a1z s ILE 101 N -0.37 1.40 -0.13 0.77 2.07 -0.55 -0.68 121.20 123.72 3a1z s ILE 101 Ca 0.55 -0.74 0.01 0.00 -1.41 0.00 0.00 60.65 59.06 3a1z s ILE 101 Cb -0.39 -1.17 -0.00 0.00 0.13 0.00 0.00 42.46 41.02 3a1z s ILE 101 CO 0.45 0.40 -0.18 -0.69 -1.91 0.00 0.00 174.94 173.00 3a1z s VAL 102 N -0.30 2.52 -0.46 4.00 1.01 -0.10 -1.89 120.40 125.18 3a1z s VAL 102 Ca 0.04 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.05 3a1z s VAL 102 Cb -0.08 -2.03 0.08 0.00 0.00 0.00 0.00 36.38 34.35 3a1z s VAL 102 CO 0.00 0.53 0.36 -0.63 0.00 0.00 0.00 175.10 175.36 3a1z s ILE 103 N 0.57 4.88 -0.52 2.22 1.01 0.13 -1.35 121.20 128.14 3a1z s ILE 103 Ca -0.11 -1.23 -0.16 0.00 0.00 0.00 0.00 60.65 59.15 3a1z s ILE 103 Cb -0.16 -3.97 0.10 0.00 0.01 0.00 0.00 42.46 38.45 3a1z s ILE 103 CO 0.04 -0.59 0.48 -0.70 0.00 0.00 0.00 174.94 174.17 3a1z s GLU 104 N 1.56 3.00 -1.15 2.79 2.12 -0.47 -0.44 118.70 126.11 3a1z s GLU 104 Ca 0.04 -1.50 -0.16 0.00 0.36 0.00 0.00 54.97 53.71 3a1z s GLU 104 Cb -0.24 -4.22 0.14 0.00 0.26 0.00 0.00 34.13 30.06 3a1z s GLU 104 CO 0.05 -1.23 1.40 -0.51 -0.54 0.00 0.00 175.26 174.43 3a1z s LEU 105 N 1.75 4.83 0.38 2.70 1.43 -0.48 -1.86 118.68 127.44 3a1z s LEU 105 Ca 0.05 -2.64 0.07 0.00 -1.03 0.00 0.00 54.13 50.58 3a1z s LEU 105 Cb -0.27 -2.43 0.80 0.00 0.03 0.00 0.00 46.19 44.33 3a1z s LEU 105 CO 0.05 -0.90 1.97 0.71 0.23 0.00 0.00 176.35 178.41 3a1z h THR 106 N 5.14 1.01 0.00 5.49 1.35 -1.63 0.09 112.91 124.36 3a1z h THR 106 Ca 0.29 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 3a1z h THR 106 Cb 0.91 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 3a1z h THR 106 CO 1.25 0.12 0.00 -0.62 -0.25 0.00 0.00 175.52 176.02 3a1z n GLU 107 N -4.48 0.17 -0.02 4.72 1.02 -1.25 -1.86 120.64 118.95 3a1z n GLU 107 Ca 0.10 0.14 0.04 0.00 -0.02 0.00 0.00 57.16 57.41 3a1z n GLU 107 Cb 0.23 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.19 3a1z n GLU 107 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3a1z n GLN 108 N -1.36 0.45 -1.77 3.49 6.02 -0.01 -4.98 117.38 119.21 3a1z n GLN 108 Ca 0.07 -1.08 -0.20 0.00 -0.01 0.00 0.00 57.00 55.78 3a1z n GLN 108 Cb 0.17 -1.16 -0.07 0.00 1.02 0.00 0.00 30.24 30.21 3a1z n GLN 108 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3a1z n SER 109 N 0.41 -5.46 -4.46 1.08 7.64 -0.78 -4.98 113.62 107.07 3a1z n SER 109 Ca 0.05 0.36 -0.22 0.00 1.01 0.00 0.00 58.87 60.07 3a1z n SER 109 Cb 0.22 -4.65 -0.10 0.00 -1.01 0.00 0.00 64.21 58.66 3a1z n SER 109 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3a1z s LYS 110 N -4.00 1.63 0.28 1.43 1.02 -1.20 -5.05 119.74 113.84 3a1z s LYS 110 Ca 0.00 -1.85 -0.13 0.00 0.02 0.00 0.00 55.97 54.01 3a1z s LYS 110 Cb 0.00 -1.22 0.01 0.00 -0.52 0.00 0.00 37.83 36.10 3a1z s LYS 110 CO 0.00 0.01 0.56 -1.54 -0.92 0.00 0.00 175.35 173.47 3a1z s SER 111 N -3.49 0.02 0.02 2.83 1.04 -1.26 -1.39 113.70 111.48 3a1z s SER 111 Ca 0.31 -0.97 0.03 0.00 0.48 0.00 0.00 55.95 55.80 3a1z s SER 111 Cb 0.05 0.66 -0.02 0.00 0.10 0.00 0.00 66.02 66.81 3a1z s SER 111 CO 0.13 -1.27 -0.08 -0.36 0.98 0.00 0.00 173.24 172.64 3a1z s PHE 112 N -3.66 0.72 -0.00 5.02 0.40 0.41 -4.92 117.98 115.96 3a1z s PHE 112 Ca 0.20 -0.30 0.05 0.00 -0.60 0.00 0.00 56.93 56.28 3a1z s PHE 112 Cb -0.02 -0.44 -0.01 0.00 0.51 0.00 0.00 43.02 43.05 3a1z s PHE 112 CO 0.10 -0.03 -0.16 0.99 0.70 0.00 0.00 175.22 176.82 3a1z s THR 113 N -0.76 1.29 -0.01 0.64 2.01 -1.26 0.21 115.64 117.77 3a1z s THR 113 Ca -0.03 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.21 3a1z s THR 113 Cb -0.06 -1.09 0.00 0.00 0.01 0.00 0.00 72.50 71.36 3a1z s THR 113 CO 0.00 0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.86 3a1z n GLY 114 N 2.54 -0.68 3.57 4.40 0.00 -0.79 -4.48 105.19 109.76 3a1z n GLY 114 Ca -0.15 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 3a1z n GLY 114 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a1z s LEU 115 N 0.00 2.99 -0.04 0.99 1.43 -1.26 -1.48 118.68 121.31 3a1z s LEU 115 Ca 0.00 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3a1z s LEU 115 Cb 0.00 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.51 3a1z s LEU 115 CO 0.00 0.13 -0.05 -0.47 0.23 0.00 0.00 176.35 176.20 3a1z s TYR 116 N -1.48 0.72 0.03 0.29 6.14 0.06 -0.57 117.35 122.54 3a1z s TYR 116 Ca 0.23 -0.19 0.01 0.00 0.64 0.00 0.00 57.07 57.77 3a1z s TYR 116 Cb -0.10 -0.62 -0.02 0.00 0.42 0.00 0.00 41.96 41.64 3a1z s TYR 116 CO 0.14 -0.16 -0.06 0.95 0.64 0.00 0.00 175.55 177.06 3a1z s THR 117 N 0.74 0.40 -0.15 4.34 -4.23 -0.82 -0.34 115.64 115.58 3a1z s THR 117 Ca -0.10 -0.92 -0.14 0.00 -1.18 0.00 0.00 61.69 59.34 3a1z s THR 117 Cb -0.13 -0.47 0.04 0.00 1.34 0.00 0.00 72.50 73.28 3a1z s THR 117 CO 0.00 -0.36 0.41 0.00 -0.54 0.00 0.00 174.62 174.13 3a1z s ALA 118 N -1.24 -1.01 -0.08 3.99 0.00 -0.10 -0.72 121.76 122.59 3a1z s ALA 118 Ca -0.10 1.13 0.04 0.00 0.00 0.00 0.00 51.96 53.03 3a1z s ALA 118 Cb -0.09 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 3a1z s ALA 118 CO -0.00 -0.20 -0.20 -0.51 0.00 0.00 0.00 175.76 174.86 3a1z s ASP 119 N 0.16 3.50 -0.00 0.00 1.11 -0.15 -1.48 116.67 119.80 3a1z s ASP 119 Ca -0.01 -0.41 -0.26 0.00 0.18 0.00 0.00 52.55 52.05 3a1z s ASP 119 Cb -0.03 -1.15 0.06 0.00 1.07 0.00 0.00 42.92 42.87 3a1z s ASP 119 CO 0.01 0.23 0.58 0.28 1.18 0.00 0.00 175.17 177.44 3a1z s THR 120 N -0.03 0.02 -0.20 -1.27 -1.32 -1.14 0.81 115.64 112.50 3a1z s THR 120 Ca -0.06 -0.13 -0.06 0.00 -1.21 0.00 0.00 61.69 60.23 3a1z s THR 120 Cb -0.15 -0.94 -0.03 0.00 -1.51 0.00 0.00 72.50 69.87 3a1z s THR 120 CO 0.05 -0.07 0.03 0.20 -2.21 0.00 0.00 174.62 172.62 3a1z s ASN 121 N -1.54 5.22 -0.14 8.08 0.01 -1.16 -1.62 114.94 123.79 3a1z s ASN 121 Ca -0.09 -0.07 0.02 0.00 -0.71 0.00 0.00 52.86 52.01 3a1z s ASN 121 Cb -0.01 -1.90 0.01 0.00 0.41 0.00 0.00 41.25 39.76 3a1z s ASN 121 CO 0.04 0.11 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.84 3a1z s VAL 122 N 0.76 2.15 -0.11 1.60 1.01 -0.73 -3.45 120.40 121.62 3a1z s VAL 122 Ca 0.02 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 3a1z s VAL 122 Cb -0.14 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 3a1z s VAL 122 CO 0.02 0.55 0.02 -0.63 0.00 0.00 0.00 175.10 175.06 3a1z s ILE 123 N 0.76 4.49 0.34 2.22 -1.09 0.12 -1.98 121.20 126.07 3a1z s ILE 123 Ca -0.08 -0.17 -0.06 0.00 -2.23 0.00 0.00 60.65 58.11 3a1z s ILE 123 Cb -0.16 -2.93 0.02 0.00 -1.58 0.00 0.00 42.46 37.82 3a1z s ILE 123 CO -0.01 0.57 0.55 0.61 -1.23 0.00 0.00 174.94 175.43 3a1z n GLY 124 N 2.52 1.79 3.02 6.18 0.00 -0.97 0.18 105.19 117.91 3a1z n GLY 124 Ca -0.18 -1.48 -0.23 0.00 0.00 0.00 0.00 46.02 44.12 3a1z n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1z s ALA 125 N -2.47 1.15 -0.21 4.61 0.00 0.14 -1.79 121.76 123.19 3a1z s ALA 125 Ca 0.23 -0.39 -0.05 0.00 0.00 0.00 0.00 51.96 51.74 3a1z s ALA 125 Cb -0.02 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 3a1z s ALA 125 CO 0.17 0.13 0.01 0.08 0.00 0.00 0.00 175.76 176.14 3a1z s VAL 126 N 0.51 3.92 -0.04 0.00 1.01 -0.38 0.53 120.40 125.95 3a1z s VAL 126 Ca -0.11 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.62 3a1z s VAL 126 Cb -0.14 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 3a1z s VAL 126 CO 0.03 0.41 -0.22 -0.13 0.00 0.00 0.00 175.10 175.19 3a1z s ARG 127 N 1.20 2.10 -0.16 2.72 0.52 -0.37 -1.80 118.95 123.15 3a1z s ARG 127 Ca 0.03 -0.78 -0.28 0.00 -0.52 0.00 0.00 55.73 54.18 3a1z s ARG 127 Cb -0.15 -1.85 0.08 0.00 0.52 0.00 0.00 34.95 33.56 3a1z s ARG 127 CO 0.01 0.37 0.78 1.52 0.02 0.00 0.00 175.30 178.00 3a1z s TYR 128 N -0.20 -0.64 0.98 -0.53 -0.85 -0.95 -0.52 117.35 114.64 3a1z s TYR 128 Ca -0.00 1.33 -0.15 0.00 -0.52 0.00 0.00 57.07 57.72 3a1z s TYR 128 Cb -0.12 0.36 0.19 0.00 0.38 0.00 0.00 41.96 42.78 3a1z s TYR 128 CO 0.02 -0.45 1.22 0.20 -1.52 0.00 0.00 175.55 175.01 3a1z s GLY 129 N -0.50 1.67 0.32 5.49 0.00 -1.26 -0.12 107.32 112.91 3a1z s GLY 129 Ca -0.04 -0.92 -0.10 0.00 0.00 0.00 0.00 44.72 43.65 3a1z s GLY 129 CO 0.04 -0.21 0.56 -2.52 0.00 0.00 0.00 173.10 170.97 3a1z s TYR 130 N -3.52 0.54 0.20 1.90 1.13 -0.18 -2.04 117.35 115.38 3a1z s TYR 130 Ca 0.70 -0.93 -0.13 0.00 -1.41 0.00 0.00 57.07 55.29 3a1z s TYR 130 Cb -0.08 0.26 0.01 0.00 -1.10 0.00 0.00 41.96 41.04 3a1z s TYR 130 CO 0.53 -1.19 0.43 0.54 -2.51 0.00 0.00 175.55 173.35 3a1z s ASN 131 N -3.11 -0.11 -0.15 -0.18 2.20 -1.13 -4.81 114.94 107.66 3a1z s ASN 131 Ca 0.23 -0.75 -0.08 0.00 -0.94 0.00 0.00 52.86 51.33 3a1z s ASN 131 Cb -0.02 0.53 -0.04 0.00 -2.00 0.00 0.00 41.25 39.72 3a1z s ASN 131 CO 0.14 -1.03 0.12 -0.76 -2.94 0.00 0.00 177.10 172.63 3a1z s LEU 132 N -2.95 4.22 0.07 3.54 2.01 -1.26 -1.28 118.68 123.03 3a1z s LEU 132 Ca 0.16 0.34 0.06 0.00 0.01 0.00 0.00 54.13 54.69 3a1z s LEU 132 Cb 0.01 -2.05 -0.03 0.00 0.01 0.00 0.00 46.19 44.13 3a1z s LEU 132 CO 0.02 0.32 -0.16 -0.75 1.01 0.00 0.00 176.35 176.78 3a1z s LYS 133 N -0.47 0.94 -0.08 1.70 2.20 0.20 -4.92 119.74 119.31 3a1z s LYS 133 Ca 0.12 -0.96 0.01 0.00 -0.36 0.00 0.00 55.97 54.78 3a1z s LYS 133 Cb -0.12 -1.01 -0.03 0.00 -1.51 0.00 0.00 37.83 35.17 3a1z s LYS 133 CO 0.02 0.23 -0.10 -0.80 -0.36 0.00 0.00 175.35 174.34 3a1z s ASN 134 N -1.63 4.37 0.94 1.43 -0.87 -1.26 0.16 114.94 118.08 3a1z s ASN 134 Ca 0.01 -0.13 -0.12 0.00 -1.57 0.00 0.00 52.86 51.06 3a1z s ASN 134 Cb -0.09 -1.16 0.07 0.00 -0.02 0.00 0.00 41.25 40.05 3a1z s ASN 134 CO 0.02 0.32 0.64 0.47 -2.57 0.00 0.00 177.10 175.99 3a1z n ASP 135 N 2.51 -1.32 -0.35 -1.22 8.00 0.39 -4.79 116.55 119.78 3a1z n ASP 135 Ca -0.18 0.35 0.32 0.00 0.71 0.00 0.00 54.79 56.00 3a1z n ASP 135 Cb 0.53 -1.29 0.56 0.00 -0.02 0.00 0.00 41.12 40.89 3a1z n ASP 135 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3a1z n ASP 136 N -2.28 0.24 -3.86 -2.24 5.75 -1.26 -3.13 116.55 109.78 3a1z n ASP 136 Ca 0.08 1.34 -0.30 0.00 -0.01 0.00 0.00 54.79 55.90 3a1z n ASP 136 Cb 0.53 -0.65 -0.15 0.00 -1.03 0.00 0.00 41.12 39.81 3a1z n ASP 136 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3a1z s ASN 137 N -4.44 4.01 0.00 -1.12 2.20 -1.26 -5.02 114.94 109.31 3a1z s ASN 137 Ca -0.07 -1.52 0.00 0.00 -0.94 0.00 0.00 52.86 50.33 3a1z s ASN 137 Cb 0.29 -1.09 0.00 0.00 -2.00 0.00 0.00 41.25 38.44 3a1z s ASN 137 CO 0.70 -0.34 0.00 0.61 -2.94 0.00 0.00 177.10 175.13 3a1z n GLY 138 N 4.69 1.16 3.68 0.45 0.00 -1.18 -4.94 105.19 109.04 3a1z n GLY 138 Ca -0.05 0.25 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 3a1z n GLY 138 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3a1z n VAL 139 N 0.00 1.55 -4.44 1.61 0.31 -1.26 -4.10 118.33 112.00 3a1z n VAL 139 Ca 0.00 -0.39 -0.35 0.00 -0.01 0.00 0.00 64.34 63.60 3a1z n VAL 139 Cb 0.00 -1.51 -0.10 0.00 -0.91 0.00 0.00 33.84 31.32 3a1z n VAL 139 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a1z s GLN 140 N -1.23 3.00 0.07 5.55 -2.07 -1.26 0.15 119.66 123.87 3a1z s GLN 140 Ca 0.61 -0.45 0.09 0.00 -1.82 0.00 0.00 55.36 53.78 3a1z s GLN 140 Cb -0.61 -2.76 -0.03 0.00 -1.09 0.00 0.00 33.01 28.52 3a1z s GLN 140 CO 0.57 0.64 -0.21 -1.01 -1.32 0.00 0.00 175.29 173.95 3a1z s HIS 141 N -0.73 2.46 0.68 9.60 3.76 0.41 0.12 115.29 131.60 3a1z s HIS 141 Ca 0.11 -0.31 -0.15 0.00 -0.15 0.00 0.00 55.06 54.56 3a1z s HIS 141 Cb -0.11 -1.39 0.01 0.00 1.11 0.00 0.00 32.58 32.20 3a1z s HIS 141 CO 0.02 0.26 1.13 -0.06 -0.85 0.00 0.00 174.74 175.24 3a1z s PHE 142 N -0.95 2.48 -0.22 1.40 0.08 -1.26 -0.63 117.98 118.88 3a1z s PHE 142 Ca 0.14 1.57 -0.04 0.00 0.12 0.00 0.00 56.93 58.72 3a1z s PHE 142 Cb -0.10 -3.23 0.07 0.00 -0.57 0.00 0.00 43.02 39.19 3a1z s PHE 142 CO 0.05 -1.90 0.08 -2.00 -0.10 0.00 0.00 175.22 171.35 3a1z s GLU 143 N -4.11 0.35 -0.05 0.44 2.12 -0.40 -4.41 118.70 112.64 3a1z s GLU 143 Ca 0.68 -0.39 -0.30 0.00 0.36 0.00 0.00 54.97 55.32 3a1z s GLU 143 Cb -0.22 -1.80 -0.03 0.00 0.26 0.00 0.00 34.13 32.34 3a1z s GLU 143 CO 0.43 -0.77 1.21 0.08 -0.54 0.00 0.00 175.26 175.67 3a1z s VAL 144 N 1.98 4.23 0.77 3.70 1.01 -1.26 -2.85 120.40 127.99 3a1z s VAL 144 Ca 0.03 1.56 -0.08 0.00 0.00 0.00 0.00 61.98 63.49 3a1z s VAL 144 Cb -0.16 -4.00 0.10 0.00 0.00 0.00 0.00 36.38 32.31 3a1z s VAL 144 CO -0.16 0.00 1.09 -1.10 0.00 0.00 0.00 175.10 174.93 3a1z s GLN 145 N 2.20 1.77 -0.24 2.72 -0.21 -0.87 -4.97 119.66 120.08 3a1z s GLN 145 Ca 0.56 -0.38 -0.36 0.00 0.02 0.00 0.00 55.36 55.21 3a1z s GLN 145 Cb -0.25 -2.10 -0.12 0.00 1.00 0.00 0.00 33.01 31.53 3a1z s GLN 145 CO 0.22 -1.55 1.98 -2.30 -2.12 0.00 0.00 175.29 171.52 3a1z n PRO 146 N -3.12 1.53 -1.63 2.91 -0.02 -1.26 -4.70 135.00 128.70 3a1z n PRO 146 Ca 0.11 0.51 -0.30 0.00 -2.02 0.00 0.00 63.50 61.80 3a1z n PRO 146 Cb 0.60 -2.48 0.09 0.00 -0.02 0.00 0.00 33.50 31.69 3a1z n PRO 146 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3a1z s GLU 147 N 4.85 2.12 0.35 -0.52 8.01 -1.26 -4.71 118.70 127.54 3a1z s GLU 147 Ca 1.01 0.54 0.09 0.00 0.01 0.00 0.00 54.97 56.61 3a1z s GLU 147 Cb -0.83 -1.93 -0.06 0.00 -4.31 0.00 0.00 34.13 27.00 3a1z s GLU 147 CO 0.53 -1.57 -0.02 0.95 0.01 0.00 0.00 175.26 175.17 3a1z s THR 148 N -3.23 2.40 -0.06 3.63 -4.23 0.32 -4.96 115.64 109.52 3a1z s THR 148 Ca 0.61 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 3a1z s THR 148 Cb -0.14 -2.78 0.02 0.00 1.34 0.00 0.00 72.50 70.95 3a1z s THR 148 CO 0.53 -0.17 -0.05 0.12 -0.54 0.00 0.00 174.62 174.52 3a1z s PHE 149 N -2.58 0.88 -0.14 3.99 5.36 -1.25 -1.24 117.98 123.00 3a1z s PHE 149 Ca 0.34 -0.29 -0.02 0.00 -0.96 0.00 0.00 56.93 56.01 3a1z s PHE 149 Cb 0.02 -0.79 -0.02 0.00 -0.34 0.00 0.00 43.02 41.89 3a1z s PHE 149 CO 0.18 -0.26 -0.09 0.99 -1.46 0.00 0.00 175.22 174.59 3a1z s THR 150 N 1.15 3.37 -0.57 0.12 2.01 0.19 -4.91 115.64 117.00 3a1z s THR 150 Ca -0.07 -0.54 -0.25 0.00 0.31 0.00 0.00 61.69 61.13 3a1z s THR 150 Cb -0.14 -2.44 0.04 0.00 0.01 0.00 0.00 72.50 69.96 3a1z s THR 150 CO -0.01 0.51 1.02 0.00 -0.69 0.00 0.00 174.62 175.44 3a1z n GLU 152 N 7.78 0.73 -3.63 0.00 1.02 0.13 -4.96 120.64 121.72 3a1z n GLU 152 Ca 0.03 0.25 -0.14 0.00 -0.02 0.00 0.00 57.16 57.28 3a1z n GLU 152 Cb 0.48 -1.69 -0.07 0.00 -0.02 0.00 0.00 31.44 30.14 3a1z n GLU 152 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3a1z s SER 153 N -6.86 -0.72 -0.02 1.62 0.15 -0.07 -4.94 113.70 102.86 3a1z s SER 153 Ca -0.22 1.39 0.21 0.00 0.70 0.00 0.00 55.95 58.03 3a1z s SER 153 Cb 0.07 1.41 -0.30 0.00 -1.71 0.00 0.00 66.02 65.49 3a1z s SER 153 CO 0.75 -0.25 0.61 2.30 1.20 0.00 0.00 173.24 177.85 3a1z n ILE 154 N 2.63 0.00 -2.27 6.45 -5.35 -1.25 0.14 119.36 119.71 3a1z n ILE 154 Ca -0.14 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 3a1z n ILE 154 Cb 0.55 0.33 0.00 0.00 -1.74 0.00 0.00 39.64 38.78 3a1z n ILE 154 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a1z n GLY 155 N 1.35 0.63 2.85 3.28 0.00 -1.22 -3.01 105.19 109.07 3a1z n GLY 155 Ca -0.01 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 3a1z n GLY 155 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a1z s GLU 156 N 0.00 1.71 0.61 1.61 2.02 -1.26 -5.05 118.70 118.35 3a1z s GLU 156 Ca 0.00 -2.39 -0.18 0.00 0.02 0.00 0.00 54.97 52.42 3a1z s GLU 156 Cb 0.00 -2.93 -0.02 0.00 0.10 0.00 0.00 34.13 31.27 3a1z s GLU 156 CO 0.00 -1.13 1.20 -1.25 0.02 0.00 0.00 175.26 174.10 3a1z s PRO 157 N -0.06 2.86 -0.49 0.39 0.04 -1.26 -4.94 135.00 131.55 3a1z s PRO 157 Ca 0.17 1.79 -0.14 0.00 0.04 0.00 0.00 61.00 62.86 3a1z s PRO 157 Cb -0.25 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.47 3a1z s PRO 157 CO -0.00 -1.28 0.41 0.21 0.04 0.00 0.00 177.00 176.37 3a1z s LYS 158 N -3.46 2.85 -0.18 4.56 2.20 0.24 -4.92 119.74 121.04 3a1z s LYS 158 Ca 0.76 -1.56 -0.08 0.00 -0.36 0.00 0.00 55.97 54.73 3a1z s LYS 158 Cb -0.29 -4.11 -0.05 0.00 -1.51 0.00 0.00 37.83 31.87 3a1z s LYS 158 CO 0.35 -1.15 0.11 0.42 -0.36 0.00 0.00 175.35 174.72 3a1z s ILE 159 N 1.55 5.24 -0.06 5.43 -1.09 -1.26 -0.98 121.20 130.03 3a1z s ILE 159 Ca 0.04 0.12 0.02 0.00 -2.23 0.00 0.00 60.65 58.60 3a1z s ILE 159 Cb -0.26 -3.36 0.01 0.00 -1.58 0.00 0.00 42.46 37.27 3a1z s ILE 159 CO 0.03 0.49 -0.11 -0.89 -1.23 0.00 0.00 174.94 173.23 3a1z s THR 160 N 0.04 1.02 0.15 2.92 2.01 0.11 -5.01 115.64 116.88 3a1z s THR 160 Ca 0.08 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.68 3a1z s THR 160 Cb -0.12 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 3a1z s THR 160 CO -0.00 0.33 0.32 -0.76 -0.69 0.00 0.00 174.62 173.81 3a1z s LEU 161 N 0.71 4.30 0.61 4.42 1.43 -1.26 -1.95 118.68 126.93 3a1z s LEU 161 Ca -0.14 0.30 -0.17 0.00 -1.03 0.00 0.00 54.13 53.10 3a1z s LEU 161 Cb -0.16 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 42.99 3a1z s LEU 161 CO 0.03 0.04 1.11 -0.94 0.23 0.00 0.00 176.35 176.82 3a1z s SER 162 N -3.01 5.42 0.05 2.29 1.04 0.26 -4.81 113.70 114.95 3a1z s SER 162 Ca 0.36 2.05 -0.24 0.00 0.48 0.00 0.00 55.95 58.61 3a1z s SER 162 Cb -0.11 -2.56 -0.16 0.00 0.10 0.00 0.00 66.02 63.28 3a1z s SER 162 CO 0.28 -1.42 1.57 -1.28 0.98 0.00 0.00 173.24 173.37 3a1z h SER 163 N 0.55 0.02 -0.85 7.02 0.87 -1.98 -0.98 113.55 118.20 3a1z h SER 163 Ca -0.48 -0.18 0.19 0.00 -1.23 0.00 0.00 61.79 60.09 3a1z h SER 163 Cb 1.25 -0.01 -0.11 0.00 -0.44 0.00 0.00 62.40 63.09 3a1z h SER 163 CO 0.56 0.20 0.35 0.44 -0.53 0.00 0.00 176.83 177.85 3a1z h ASP 164 N -0.16 0.30 -0.52 6.23 3.32 -1.96 -0.04 116.42 123.59 3a1z h ASP 164 Ca 0.00 0.14 0.03 0.00 0.02 0.00 0.00 57.03 57.23 3a1z h ASP 164 Cb 0.18 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 3a1z h ASP 164 CO -0.00 0.04 0.29 0.25 -1.72 0.00 0.00 179.24 178.09 3a1z h LEU 165 N 0.42 0.45 -0.52 1.55 6.46 -1.49 0.77 115.31 122.94 3a1z h LEU 165 Ca 0.51 0.02 -0.12 0.00 -0.12 0.00 0.00 57.88 58.16 3a1z h LEU 165 Cb 0.90 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.74 3a1z h LEU 165 CO -0.49 0.31 -0.16 0.28 -0.62 0.00 0.00 178.44 177.76 3a1z h SER 166 N 0.57 1.04 -0.61 1.25 0.02 -0.05 0.13 113.55 115.90 3a1z h SER 166 Ca 0.22 -0.37 -0.09 0.00 -0.84 0.00 0.00 61.79 60.70 3a1z h SER 166 Cb 0.08 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 3a1z h SER 166 CO -0.12 1.18 0.02 0.28 -1.14 0.00 0.00 176.83 177.04 3a1z h SER 167 N 0.90 1.04 -0.87 3.07 0.02 -0.84 0.47 113.55 117.33 3a1z h SER 167 Ca 0.13 -0.30 0.03 0.00 -0.84 0.00 0.00 61.79 60.81 3a1z h SER 167 Cb 0.74 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.95 3a1z h SER 167 CO 0.06 1.08 0.56 0.00 -1.14 0.00 0.00 176.83 177.39 3a1z h ALA 168 N 0.99 1.15 0.05 3.77 0.00 -0.36 0.88 119.26 125.74 3a1z h ALA 168 Ca 0.17 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3a1z h ALA 168 Cb 0.54 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3a1z h ALA 168 CO 0.03 0.40 -0.02 -0.07 0.00 0.00 0.00 179.25 179.59 3a1z h LEU 169 N 1.09 -0.05 -0.31 0.00 3.38 -0.60 -1.72 115.31 117.09 3a1z h LEU 169 Ca 0.35 -0.53 0.04 0.00 0.09 0.00 0.00 57.88 57.82 3a1z h LEU 169 Cb 0.01 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 3a1z h LEU 169 CO -0.12 0.53 -0.51 -0.33 0.09 0.00 0.00 178.44 178.11 3a1z h GLU 170 N -0.67 -0.40 -0.82 1.13 5.08 0.35 -0.98 114.58 118.27 3a1z h GLU 170 Ca -0.01 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 3a1z h GLU 170 Cb 0.59 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.85 3a1z h GLU 170 CO 0.01 -0.26 0.45 -0.22 -1.00 0.00 0.00 179.01 177.99 3a1z h LYS 171 N -0.41 0.71 0.00 2.33 3.64 0.72 -0.07 116.57 123.50 3a1z h LYS 171 Ca 0.06 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 3a1z h LYS 171 Cb 0.57 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3a1z h LYS 171 CO -0.51 0.47 -0.44 0.22 -2.27 0.00 0.00 179.45 176.92 3a1z h ASP 172 N 0.73 0.00 0.44 4.20 1.82 -0.28 -3.06 116.42 120.27 3a1z h ASP 172 Ca 0.41 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.74 3a1z h ASP 172 Cb 0.44 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.44 3a1z h ASP 172 CO -0.28 0.44 -1.56 0.77 -1.61 0.00 0.00 179.24 177.00 3a1z h SER 173 N 0.00 0.38 -6.52 2.28 4.64 -0.42 -3.51 113.55 110.40 3a1z h SER 173 Ca -0.00 -0.54 -0.50 0.00 -0.47 0.00 0.00 61.79 60.27 3a1z h SER 173 Cb 0.96 -0.12 -0.22 0.00 -0.31 0.00 0.00 62.40 62.71 3a1z h SER 173 CO 0.06 1.45 -0.75 0.61 -0.87 0.00 0.00 176.83 177.33 3a1z n GLY 174 N 1.68 -0.45 2.16 -0.77 0.00 -0.11 -5.12 105.19 102.57 3a1z n GLY 174 Ca -0.17 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3a1z n GLY 174 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a1z n MET 182 N -4.04 0.00 -3.40 1.61 2.81 -1.26 -5.12 117.12 107.71 3a1z n MET 182 Ca 0.07 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.62 3a1z n MET 182 Cb 0.49 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.94 3a1z n MET 182 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3a1z s GLU 183 N 0.00 3.90 0.00 0.03 0.41 -1.26 0.76 118.70 122.54 3a1z s GLU 183 Ca 0.00 0.39 0.27 0.00 -0.41 0.00 0.00 54.97 55.22 3a1z s GLU 183 Cb 0.00 -2.86 0.92 0.00 -1.78 0.00 0.00 34.13 30.41 3a1z s GLU 183 CO 0.00 0.44 1.67 -0.35 -0.49 0.00 0.00 175.26 176.53 3a1z n PRO 184 N 0.55 1.40 0.00 0.39 -0.04 -1.26 -4.88 135.00 131.16 3a1z n PRO 184 Ca -0.04 -0.83 0.06 0.00 -0.04 0.00 0.00 63.50 62.66 3a1z n PRO 184 Cb 0.52 -1.48 0.31 0.00 -0.04 0.00 0.00 33.50 32.80 3a1z n PRO 184 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 3a1z n LEU 185 N -0.08 0.00 0.16 1.53 -0.00 -0.93 -2.01 117.00 115.66 3a1z n LEU 185 Ca 0.16 0.35 0.01 0.00 -0.00 0.00 0.00 56.01 56.53 3a1z n LEU 185 Cb 0.36 -0.35 0.28 0.00 -0.00 0.00 0.00 43.42 43.72 3a1z n LEU 185 CO 0.20 -0.20 0.65 0.50 -0.00 0.00 0.00 177.39 178.54 3a1z h LYS 186 N 0.00 0.04 -0.25 1.47 3.64 -0.00 -2.17 116.57 119.30 3a1z h LYS 186 Ca 0.00 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 3a1z h LYS 186 Cb 0.15 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3a1z h LYS 186 CO 0.00 0.48 -0.31 1.15 -2.27 0.00 0.00 179.45 178.51 3a1z h THR 187 N 0.04 1.28 0.04 1.00 2.02 -1.68 -3.05 112.91 112.56 3a1z h THR 187 Ca -0.00 -1.38 -0.00 0.00 0.77 0.00 0.00 66.41 65.80 3a1z h THR 187 Cb 0.81 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 3a1z h THR 187 CO 0.06 0.44 -0.02 0.25 0.37 0.00 0.00 175.52 176.62 3a1z h LEU 188 N 0.44 -0.05 -0.93 2.58 5.85 -1.57 -0.11 115.31 121.52 3a1z h LEU 188 Ca 0.06 -0.53 0.21 0.00 0.84 0.00 0.00 57.88 58.45 3a1z h LEU 188 Cb 0.75 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 41.68 3a1z h LEU 188 CO 0.06 0.53 0.48 -0.09 -0.34 0.00 0.00 178.44 179.08 3a1z h ARG 189 N -0.65 0.51 0.33 1.25 2.43 -1.51 -1.29 114.38 115.46 3a1z h ARG 189 Ca -0.01 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3a1z h ARG 189 Cb 0.58 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3a1z h ARG 189 CO 0.01 0.34 -0.16 1.96 -1.51 0.00 0.00 179.97 180.61 3a1z h GLN 190 N 0.52 -0.43 -0.62 0.20 4.20 -1.41 -2.95 115.11 114.63 3a1z h GLN 190 Ca 0.57 0.03 0.12 0.00 0.06 0.00 0.00 58.65 59.43 3a1z h GLN 190 Cb 1.02 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.86 3a1z h GLN 190 CO -0.47 -0.10 0.42 0.00 -0.67 0.00 0.00 178.83 178.00 3a1z h ALA 191 N -0.37 2.14 -0.13 3.87 0.00 -0.53 -0.28 119.26 123.96 3a1z h ALA 191 Ca -0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3a1z h ALA 191 Cb 0.52 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3a1z h ALA 191 CO 0.07 -0.29 -0.18 0.00 0.00 0.00 0.00 179.25 178.86 3a1z h ALA 192 N 1.70 0.19 -0.12 0.00 0.00 -1.26 -1.00 119.26 118.76 3a1z h ALA 192 Ca 0.29 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3a1z h ALA 192 Cb 0.71 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3a1z h ALA 192 CO -0.07 0.11 0.06 0.82 0.00 0.00 0.00 179.25 180.17 3a1z h ILE 193 N -0.05 1.11 -0.62 0.00 2.04 -1.25 -0.95 117.51 117.79 3a1z h ILE 193 Ca 0.01 -0.30 0.11 0.00 1.00 0.00 0.00 64.86 65.68 3a1z h ILE 193 Cb 0.73 1.08 -0.08 0.00 -0.74 0.00 0.00 36.82 37.81 3a1z h ILE 193 CO 0.04 0.09 0.20 0.00 0.00 0.00 0.00 178.15 178.48 3a1z h LYS 195 N 0.35 0.18 -0.59 0.00 1.79 -1.02 0.11 116.57 117.40 3a1z h LYS 195 Ca 0.32 -0.11 -0.08 0.00 -2.18 0.00 0.00 60.65 58.61 3a1z h LYS 195 Cb 0.44 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 3a1z h LYS 195 CO -0.35 0.67 0.07 0.82 -1.08 0.00 0.00 179.45 179.58 3a1z h ILE 196 N 0.14 1.26 -0.46 1.86 2.04 -0.33 -0.65 117.51 121.36 3a1z h ILE 196 Ca 0.00 -1.03 -0.11 0.00 1.00 0.00 0.00 64.86 64.72 3a1z h ILE 196 Cb 0.99 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 3a1z h ILE 196 CO 0.08 0.38 -0.14 0.00 0.00 0.00 0.00 178.15 178.46 3a1z h ALA 197 N 1.00 0.64 -0.99 1.87 0.00 -0.10 -0.82 119.26 120.86 3a1z h ALA 197 Ca 0.17 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3a1z h ALA 197 Cb 0.45 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3a1z h ALA 197 CO 0.02 0.56 0.65 1.49 0.00 0.00 0.00 179.25 181.97 3a1z h GLU 198 N 0.75 1.26 -0.62 0.00 4.81 -0.69 -0.11 114.58 119.99 3a1z h GLU 198 Ca 0.11 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 3a1z h GLU 198 Cb 0.70 -0.29 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 3a1z h GLU 198 CO 0.05 0.84 0.16 0.00 -0.73 0.00 0.00 179.01 179.33 3a1z h ALA 199 N 1.40 1.11 -0.41 2.92 0.00 -0.19 -2.63 119.26 121.46 3a1z h ALA 199 Ca 0.37 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3a1z h ALA 199 Cb -0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3a1z h ALA 199 CO -0.10 0.60 -0.04 0.00 0.00 0.00 0.00 179.25 179.71 3a1z h TYR 201 N 0.64 0.00 -0.60 0.00 0.05 -0.80 -2.00 116.97 114.26 3a1z h TYR 201 Ca 0.12 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.85 3a1z h TYR 201 Cb 0.46 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.17 3a1z h TYR 201 CO 0.02 0.32 0.16 0.82 -1.05 0.00 0.00 178.16 178.43 3a1z h ILE 202 N 0.00 1.24 -0.52 -2.88 2.04 -1.22 0.25 117.51 116.41 3a1z h ILE 202 Ca -0.00 -0.84 -0.06 0.00 1.00 0.00 0.00 64.86 64.96 3a1z h ILE 202 Cb 1.11 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 3a1z h ILE 202 CO 0.04 0.32 0.09 0.28 0.00 0.00 0.00 178.15 178.88 3a1z h SER 203 N 0.88 0.82 0.10 1.72 0.02 -1.19 0.54 113.55 116.44 3a1z h SER 203 Ca 0.19 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3a1z h SER 203 Cb 0.30 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3a1z h SER 203 CO -0.00 0.87 -0.05 0.58 -1.14 0.00 0.00 176.83 177.09 3a1z h VAL 204 N 0.75 1.13 -0.50 2.27 2.07 -0.83 -2.32 116.25 118.81 3a1z h VAL 204 Ca 0.16 -0.95 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 3a1z h VAL 204 Cb 0.39 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 3a1z h VAL 204 CO 0.01 0.23 0.13 0.58 0.02 0.00 0.00 177.57 178.53 3a1z h VAL 205 N -0.58 1.21 -0.90 2.57 2.07 -0.57 0.16 116.25 120.22 3a1z h VAL 205 Ca -0.01 -0.76 0.18 0.00 0.82 0.00 0.00 66.70 66.93 3a1z h VAL 205 Cb 0.47 0.69 -0.11 0.00 -1.52 0.00 0.00 31.29 30.82 3a1z h VAL 205 CO 0.02 0.28 0.47 -0.74 0.02 0.00 0.00 177.57 177.62 3a1z h HIS 206 N 0.74 0.81 -0.20 1.57 6.17 -0.64 0.46 115.15 124.07 3a1z h HIS 206 Ca 0.17 0.04 -0.18 0.00 0.71 0.00 0.00 60.37 61.10 3a1z h HIS 206 Cb 0.26 -0.22 0.00 0.00 2.52 0.00 0.00 27.41 29.98 3a1z h HIS 206 CO 0.01 0.13 -0.59 -0.91 0.71 0.00 0.00 177.93 177.29 3a1z h ASN 207 N 0.59 0.87 -0.17 3.26 2.35 -0.19 0.49 115.58 122.78 3a1z h ASN 207 Ca 0.52 -0.58 0.02 0.00 -0.55 0.00 0.00 56.30 55.71 3a1z h ASN 207 Cb 0.84 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 3a1z h ASN 207 CO -0.41 1.30 0.02 0.40 -1.65 0.00 0.00 177.43 177.09 3a1z h ILE 208 N 0.48 0.91 -0.88 2.81 2.04 -0.35 0.17 117.51 122.69 3a1z h ILE 208 Ca -0.02 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 65.90 3a1z h ILE 208 Cb 1.21 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 38.05 3a1z h ILE 208 CO 0.13 0.02 0.57 -0.09 0.00 0.00 0.00 178.15 178.77 3a1z h ARG 209 N 0.09 0.87 -0.25 2.37 2.43 0.18 0.26 114.38 120.33 3a1z h ARG 209 Ca 0.08 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.04 3a1z h ARG 209 Cb 0.08 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3a1z h ARG 209 CO -0.11 0.58 -0.47 0.00 -1.51 0.00 0.00 179.97 178.46 3a1z h ALA 210 N 1.55 0.71 -0.17 2.80 0.00 -0.03 -2.92 119.26 121.20 3a1z h ALA 210 Ca 0.40 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3a1z h ALA 210 Cb 0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3a1z h ALA 210 CO -0.17 0.67 0.12 0.66 0.00 0.00 0.00 179.25 180.53 3a1z h SER 211 N 0.52 0.20 -0.98 0.00 4.64 0.14 -0.61 113.55 117.45 3a1z h SER 211 Ca 0.03 -0.01 0.22 0.00 -0.47 0.00 0.00 61.79 61.56 3a1z h SER 211 Cb 1.02 -0.05 -0.09 0.00 -0.31 0.00 0.00 62.40 62.97 3a1z h SER 211 CO 0.10 0.15 0.63 0.00 -0.87 0.00 0.00 176.83 176.83 3a1z h ALA 212 N 1.06 2.07 -0.40 5.18 0.00 -1.26 0.35 119.26 126.26 3a1z h ALA 212 Ca 0.06 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3a1z h ALA 212 Cb -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3a1z h ALA 212 CO -0.01 -0.42 -0.26 0.87 0.00 0.00 0.00 179.25 179.43 3a1z h LYS 213 N 0.50 0.88 0.00 0.00 1.57 -1.11 -3.23 116.57 115.19 3a1z h LYS 213 Ca 0.54 -0.41 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 3a1z h LYS 213 Cb 1.21 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 3a1z h LYS 213 CO -0.27 1.06 -0.13 0.82 -0.57 0.00 0.00 179.45 180.35 3a1z h ILE 214 N 0.70 0.25 -4.14 1.86 5.03 0.11 -3.44 117.51 117.87 3a1z h ILE 214 Ca 0.08 -1.20 -0.61 0.00 -0.12 0.00 0.00 64.86 63.01 3a1z h ILE 214 Cb 0.83 1.99 -0.25 0.00 -3.03 0.00 0.00 36.82 36.36 3a1z h ILE 214 CO 0.07 0.13 -0.85 -0.76 -0.68 0.00 0.00 178.15 176.06 3a1z s LEU 215 N -6.33 2.20 0.40 1.44 1.43 -0.13 -5.10 118.68 112.59 3a1z s LEU 215 Ca 0.05 -0.57 -0.27 0.00 -1.03 0.00 0.00 54.13 52.31 3a1z s LEU 215 Cb 0.07 -1.03 -0.09 0.00 0.03 0.00 0.00 46.19 45.16 3a1z s LEU 215 CO 0.66 0.16 1.36 -2.84 0.23 0.00 0.00 176.35 175.93 3a1z s PRO 216 N -1.35 3.99 0.63 1.29 0.02 -1.26 -4.66 135.00 133.66 3a1z s PRO 216 Ca 0.08 2.29 0.28 0.00 0.02 0.00 0.00 61.00 63.68 3a1z s PRO 216 Cb -0.09 -2.82 1.49 0.00 0.02 0.00 0.00 34.50 33.10 3a1z s PRO 216 CO 0.02 -0.52 1.87 0.00 -0.33 0.00 0.00 177.00 178.04 3a1z h ALA 217 N 2.76 1.75 0.00 -1.55 0.00 -0.63 -1.51 119.26 120.08 3a1z h ALA 217 Ca -0.50 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 3a1z h ALA 217 Cb 1.25 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3a1z h ALA 217 CO 0.63 -0.54 -0.23 0.66 0.00 0.00 0.00 179.25 179.77 3a1z h SER 218 N 0.00 0.00 0.27 0.00 4.64 -1.89 -3.00 113.55 113.57 3a1z h SER 218 Ca 0.10 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.33 3a1z h SER 218 Cb 0.96 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 3a1z h SER 218 CO -0.00 0.23 -0.37 0.28 -0.87 0.00 0.00 176.83 176.10 3a1z h SER 219 N 0.00 0.14 0.55 4.97 0.02 -1.64 -2.67 113.55 114.93 3a1z h SER 219 Ca -0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3a1z h SER 219 Cb 0.87 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.37 3a1z h SER 219 CO 0.03 0.51 0.00 0.49 -1.14 0.00 0.00 176.83 176.72 3a1z n PHE 220 N -4.07 0.25 -3.47 3.45 3.72 -1.13 -4.41 117.46 111.79 3a1z n PHE 220 Ca -0.01 0.10 -0.21 0.00 -0.05 0.00 0.00 57.45 57.27 3a1z n PHE 220 Cb 0.43 -0.66 -0.12 0.00 -0.94 0.00 0.00 39.48 38.19 3a1z n PHE 220 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3a1z s PHE 221 N -3.10 -0.17 -2.11 1.38 0.08 -1.01 -3.29 117.98 109.77 3a1z s PHE 221 Ca 0.06 -0.26 0.31 0.00 0.12 0.00 0.00 56.93 57.16 3a1z s PHE 221 Cb 0.09 -0.56 1.72 0.00 -0.57 0.00 0.00 43.02 43.70 3a1z s PHE 221 CO 0.30 -0.79 2.13 -0.85 -0.10 0.00 0.00 175.22 175.90