#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 2.40 0.17 1.97 0.02 -1.26 -4.97 135.00 133.34 3a1z s PRO 8 Ca 0.00 0.77 0.03 0.00 0.02 0.00 0.00 61.00 61.82 3a1z s PRO 8 Cb 0.00 -1.94 0.03 0.00 0.02 0.00 0.00 34.50 32.60 3a1z s PRO 8 CO 0.00 -1.43 0.23 0.00 -0.33 0.00 0.00 177.00 175.48 3a1z s LYS 10 N -2.78 3.25 0.29 0.00 -2.85 -1.26 -0.27 119.74 116.12 3a1z s LYS 10 Ca 0.18 -0.69 -0.25 0.00 -1.00 0.00 0.00 55.97 54.20 3a1z s LYS 10 Cb -0.01 -2.59 -0.16 0.00 -2.06 0.00 0.00 37.83 33.01 3a1z s LYS 10 CO 0.11 0.27 0.41 -0.11 0.10 0.00 0.00 175.35 176.14 3a1z n LEU 11 N 3.36 -1.46 0.00 2.77 0.00 -1.26 -2.06 117.00 118.34 3a1z n LEU 11 Ca -0.18 1.01 0.00 0.00 0.00 0.00 0.00 56.01 56.84 3a1z n LEU 11 Cb 0.53 -0.97 0.00 0.00 0.00 0.00 0.00 43.42 42.98 3a1z n LEU 11 CO 0.30 -3.27 0.00 0.61 0.00 0.00 0.00 177.39 175.03 3a1z n GLY 12 N 2.04 2.56 3.58 -3.96 0.00 -1.26 -4.97 105.19 103.18 3a1z n GLY 12 Ca 0.15 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 3a1z n GLY 12 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3a1z n ASP 13 N 2.06 2.23 -0.07 1.61 2.03 -0.88 -4.79 116.55 118.75 3a1z n ASP 13 Ca 0.00 -2.60 0.26 0.00 0.52 0.00 0.00 54.79 52.97 3a1z n ASP 13 Cb 0.00 -1.73 0.71 0.00 -0.72 0.00 0.00 41.12 39.38 3a1z n ASP 13 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 3a1z h MET 14 N 10.63 0.00 0.11 -0.67 2.86 -1.88 -1.56 114.93 124.41 3a1z h MET 14 Ca 0.12 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.49 3a1z h MET 14 Cb 0.96 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.63 3a1z h MET 14 CO 1.13 0.00 -1.18 0.37 1.06 0.00 0.00 176.91 178.28 3a1z h GLN 15 N 0.00 0.34 -0.61 1.72 -0.00 -1.89 -3.16 115.11 111.52 3a1z h GLN 15 Ca 0.34 -0.51 0.12 0.00 -0.00 0.00 0.00 58.65 58.60 3a1z h GLN 15 Cb 1.61 0.18 -0.09 0.00 0.00 0.00 0.00 27.48 29.18 3a1z h GLN 15 CO -0.00 1.21 0.14 0.00 0.00 0.00 0.00 178.83 180.18 3a1z h LEU 17 N 0.27 -1.10 -1.32 0.00 4.07 -1.53 -2.51 115.31 113.20 3a1z h LEU 17 Ca 0.32 0.06 0.41 0.00 0.08 0.00 0.00 57.88 58.75 3a1z h LEU 17 Cb 0.48 0.31 -0.13 0.00 1.08 0.00 0.00 40.66 42.40 3a1z h LEU 17 CO -0.40 -0.69 0.78 0.28 -1.08 0.00 0.00 178.44 177.32 3a1z h SER 18 N -1.12 0.29 0.23 -0.43 0.02 -1.55 0.54 113.55 111.53 3a1z h SER 18 Ca -0.10 0.15 -0.30 0.00 -0.84 0.00 0.00 61.79 60.70 3a1z h SER 18 Cb 0.89 0.14 0.03 0.00 0.14 0.00 0.00 62.40 63.59 3a1z h SER 18 CO 0.12 -0.19 -1.29 0.28 -1.14 0.00 0.00 176.83 174.61 3a1z h SER 19 N 0.12 0.81 0.07 3.07 0.02 -1.56 0.16 113.55 116.24 3a1z h SER 19 Ca 0.80 -0.78 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3a1z h SER 19 Cb 2.39 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 64.67 3a1z h SER 19 CO -0.47 1.59 -0.05 0.00 -1.14 0.00 0.00 176.83 176.77 3a1z h ALA 20 N 0.32 -0.11 0.66 3.77 0.00 0.41 0.57 119.26 124.87 3a1z h ALA 20 Ca -0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3a1z h ALA 20 Cb 1.97 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 3a1z h ALA 20 CO 0.24 -0.57 -0.44 1.15 0.00 0.00 0.00 179.25 179.63 3a1z h THR 21 N -0.12 0.11 -0.52 0.00 2.02 -0.93 1.15 112.91 114.62 3a1z h THR 21 Ca -0.01 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.28 3a1z h THR 21 Cb 0.10 0.11 -0.10 0.00 -1.74 0.00 0.00 68.15 66.52 3a1z h THR 21 CO 0.01 0.00 -0.15 -0.33 0.37 0.00 0.00 175.52 175.42 3a1z h GLU 22 N -1.05 -0.02 -0.54 6.66 5.08 -0.89 0.76 114.58 124.58 3a1z h GLU 22 Ca -0.08 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3a1z h GLU 22 Cb 0.86 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.07 3a1z h GLU 22 CO 0.06 -0.01 0.29 0.37 -1.00 0.00 0.00 179.01 178.72 3a1z h GLN 23 N -0.02 0.55 -0.54 2.33 4.15 0.61 0.47 115.11 122.66 3a1z h GLN 23 Ca 0.25 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.67 3a1z h GLN 23 Cb 0.40 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.93 3a1z h GLN 23 CO -0.55 0.36 0.30 0.35 -1.93 0.00 0.00 178.83 177.37 3a1z h PHE 24 N 0.57 0.55 -0.36 3.99 3.57 0.36 -1.00 116.94 124.62 3a1z h PHE 24 Ca 0.23 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 3a1z h PHE 24 Cb 0.11 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3a1z h PHE 24 CO -0.09 0.29 0.07 -0.07 -2.23 0.00 0.00 178.31 176.29 3a1z h LEU 25 N 0.58 0.56 0.21 0.59 3.38 0.15 -1.18 115.31 119.60 3a1z h LEU 25 Ca 0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3a1z h LEU 25 Cb 0.09 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3a1z h LEU 25 CO -0.13 0.66 -0.10 -0.08 0.09 0.00 0.00 178.44 178.88 3a1z h GLU 26 N 0.43 -0.27 -0.55 1.13 4.81 -0.88 -0.11 114.58 119.15 3a1z h GLU 26 Ca 0.11 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.46 3a1z h GLU 26 Cb 0.33 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.69 3a1z h GLU 26 CO 0.00 -0.01 0.07 0.87 -0.73 0.00 0.00 179.01 179.22 3a1z h LYS 27 N -0.51 0.19 -0.01 1.92 1.79 -1.06 -3.03 116.57 115.86 3a1z h LYS 27 Ca -0.03 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 3a1z h LYS 27 Cb 0.38 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 3a1z h LYS 27 CO 0.05 0.13 -0.50 0.25 -1.08 0.00 0.00 179.45 178.30 3a1z n THR 28 N -5.17 0.00 0.25 -0.16 -2.24 -0.46 -4.51 114.28 101.99 3a1z n THR 28 Ca 0.07 -0.13 0.13 0.00 -2.27 0.00 0.00 64.05 61.85 3a1z n THR 28 Cb 0.29 0.76 0.68 0.00 -2.10 0.00 0.00 70.33 69.96 3a1z n THR 28 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3a1z h SER 29 N 1.20 0.00 -0.38 3.42 4.64 -0.88 0.66 113.55 122.21 3a1z h SER 29 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a1z h SER 29 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3a1z h SER 29 CO 0.00 0.00 0.00 2.29 -0.87 0.00 0.00 176.83 178.25 3a1z n LYS 30 N -2.54 2.26 0.00 4.77 -0.00 -1.26 0.00 118.16 121.40 3a1z n LYS 30 Ca -0.02 -1.92 0.00 0.00 -0.00 0.00 0.00 58.31 56.37 3a1z n LYS 30 Cb 0.27 -1.47 0.00 0.00 -0.00 0.00 0.00 35.03 33.83 3a1z n LYS 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3a1z n GLY 31 N 1.39 1.61 2.67 2.58 0.00 0.23 -4.34 105.19 109.33 3a1z n GLY 31 Ca 0.18 -2.18 -0.03 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.58 -0.14 0.26 -0.61 1.01 -0.44 -4.89 121.20 114.81 3a1z s ILE 32 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.51 3a1z s ILE 32 Cb 0.00 0.00 0.23 0.00 0.01 0.00 0.00 42.46 42.70 3a1z s ILE 32 CO 0.00 0.00 1.77 -0.65 0.00 0.00 0.00 174.94 176.06 3a1z h PRO 33 N 4.25 0.64 0.00 2.79 0.11 -1.96 -0.76 132.00 137.06 3a1z h PRO 33 Ca -0.01 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3a1z h PRO 33 Cb 1.18 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3a1z h PRO 33 CO -0.12 0.42 0.00 1.04 -0.21 0.00 0.00 178.00 179.13 3a1z n GLN 34 N -4.84 0.08 -0.19 1.05 3.00 -1.26 0.12 117.38 115.33 3a1z n GLN 34 Ca 0.16 0.44 0.06 0.00 -0.01 0.00 0.00 57.00 57.65 3a1z n GLN 34 Cb 0.39 -1.70 0.17 0.00 0.00 0.00 0.00 30.24 29.10 3a1z n GLN 34 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3a1z n TYR 35 N -1.86 0.51 -4.00 1.08 4.01 -0.34 -4.96 117.16 111.59 3a1z n TYR 35 Ca 0.01 -0.49 -0.33 0.00 -0.16 0.00 0.00 57.90 56.94 3a1z n TYR 35 Cb 0.11 -0.02 -0.01 0.00 -0.31 0.00 0.00 39.34 39.12 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 0.64 -3.93 -4.62 7.72 2.03 0.12 -4.85 116.55 113.66 3a1z n ASP 36 Ca 0.13 -0.85 -0.38 0.00 0.52 0.00 0.00 54.79 54.21 3a1z n ASP 36 Cb 0.44 -3.19 -0.10 0.00 -0.72 0.00 0.00 41.12 37.56 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 -3.23 5.28 0.28 5.18 1.01 -0.90 -4.85 121.20 123.95 3a1z s ILE 37 Ca 0.68 0.33 -0.18 0.00 0.00 0.00 0.00 60.65 61.48 3a1z s ILE 37 Cb -0.36 -3.59 -0.09 0.00 0.01 0.00 0.00 42.46 38.44 3a1z s ILE 37 CO 0.83 0.25 0.74 0.26 0.00 0.00 0.00 174.94 177.03 3a1z s TRP 38 N 1.62 3.51 0.09 3.97 0.51 -1.26 -1.33 118.94 126.05 3a1z s TRP 38 Ca 0.10 1.33 -0.31 0.00 -2.12 0.00 0.00 56.10 55.11 3a1z s TRP 38 Cb -0.15 -2.60 -0.10 0.00 -0.81 0.00 0.00 33.47 29.81 3a1z s TRP 38 CO 0.09 0.21 1.86 -1.25 -0.51 0.00 0.00 176.95 177.34 3a1z s PRO 39 N -2.48 4.14 0.00 4.98 0.04 -1.26 -4.19 135.00 136.24 3a1z s PRO 39 Ca 0.49 2.58 0.00 0.00 0.04 0.00 0.00 61.00 64.11 3a1z s PRO 39 Cb -0.13 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.63 3a1z s PRO 39 CO 0.19 -0.87 0.93 0.44 0.04 0.00 0.00 177.00 177.73 3a1z n ILE 40 N 5.00 0.87 -3.17 0.56 -5.35 0.10 -4.63 119.36 112.74 3a1z n ILE 40 Ca 0.18 -0.92 0.02 0.00 -0.27 0.00 0.00 62.75 61.76 3a1z n ILE 40 Cb 0.39 0.57 -0.01 0.00 -1.74 0.00 0.00 39.64 38.85 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 -0.87 -1.31 0.66 7.28 -1.08 -0.63 -3.59 116.67 117.13 3a1z s ASP 41 Ca 0.00 0.23 -0.17 0.00 -0.52 0.00 0.00 52.55 52.10 3a1z s ASP 41 Cb 0.00 1.92 0.00 0.00 -1.46 0.00 0.00 42.92 43.38 3a1z s ASP 41 CO 0.00 -0.30 1.19 -2.16 0.52 0.00 0.00 175.17 174.42 3a1z s PRO 42 N 2.79 2.62 -0.16 4.34 0.04 -1.26 -4.45 135.00 138.92 3a1z s PRO 42 Ca 0.12 1.71 -0.03 0.00 0.04 0.00 0.00 61.00 62.84 3a1z s PRO 42 Cb -0.11 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 3a1z s PRO 42 CO -0.25 -1.46 -0.06 -1.17 0.04 0.00 0.00 177.00 174.10 3a1z s LEU 43 N -4.64 3.07 -0.17 -3.56 2.96 0.52 -4.88 118.68 111.98 3a1z s LEU 43 Ca 0.74 -0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 54.40 3a1z s LEU 43 Cb -0.28 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 3a1z s LEU 43 CO 0.39 0.14 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.83 3a1z s VAL 44 N 0.53 3.81 -0.22 1.68 1.01 -1.26 -0.31 120.40 125.65 3a1z s VAL 44 Ca -0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 3a1z s VAL 44 Cb -0.15 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.57 3a1z s VAL 44 CO 0.03 0.48 -0.08 -0.69 0.00 0.00 0.00 175.10 174.84 3a1z s VAL 45 N 0.54 2.91 0.17 2.92 1.01 0.36 -4.98 120.40 123.33 3a1z s VAL 45 Ca -0.03 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.03 3a1z s VAL 45 Cb -0.14 -2.36 0.07 0.00 0.00 0.00 0.00 36.38 33.94 3a1z s VAL 45 CO 0.03 0.37 1.83 0.74 0.00 0.00 0.00 175.10 178.06 3a1z h THR 46 N 5.91 1.15 -2.33 3.92 2.02 -1.94 -0.19 112.91 121.45 3a1z h THR 46 Ca -0.39 -0.31 0.09 0.00 0.77 0.00 0.00 66.41 66.57 3a1z h THR 46 Cb 1.14 0.38 -0.15 0.00 -1.74 0.00 0.00 68.15 67.77 3a1z h THR 46 CO 0.60 0.15 0.46 -0.94 0.37 0.00 0.00 175.52 176.16 3a1z s SER 47 N -5.73 -0.39 -0.19 4.18 1.04 -1.26 -1.92 113.70 109.43 3a1z s SER 47 Ca -0.13 0.03 -0.11 0.00 0.48 0.00 0.00 55.95 56.21 3a1z s SER 47 Cb 0.12 0.41 0.06 0.00 0.10 0.00 0.00 66.02 66.71 3a1z s SER 47 CO 0.75 -0.65 0.46 -0.22 0.98 0.00 0.00 173.24 174.56 3a1z s LEU 48 N -2.44 -0.16 0.07 2.42 2.96 -0.77 -5.00 118.68 115.76 3a1z s LEU 48 Ca 0.04 0.99 0.06 0.00 -0.22 0.00 0.00 54.13 55.00 3a1z s LEU 48 Cb -0.01 1.54 -0.04 0.00 0.50 0.00 0.00 46.19 48.18 3a1z s LEU 48 CO -0.09 -0.19 -0.09 -1.81 -1.32 0.00 0.00 176.35 172.84 3a1z s ASP 49 N 1.24 4.44 -0.04 3.68 1.01 -1.26 0.26 116.67 125.99 3a1z s ASP 49 Ca -0.08 -0.31 -0.00 0.00 0.71 0.00 0.00 52.55 52.87 3a1z s ASP 49 Cb -0.07 -0.91 0.03 0.00 1.01 0.00 0.00 42.92 42.98 3a1z s ASP 49 CO -0.12 0.22 0.02 -0.69 0.21 0.00 0.00 175.17 174.81 3a1z s VAL 50 N -1.12 0.11 0.03 -1.27 1.01 0.20 -4.96 120.40 114.39 3a1z s VAL 50 Ca 0.20 0.19 -0.21 0.00 0.00 0.00 0.00 61.98 62.15 3a1z s VAL 50 Cb -0.11 -0.25 -0.06 0.00 0.00 0.00 0.00 36.38 35.96 3a1z s VAL 50 CO 0.11 0.16 0.63 -0.63 0.00 0.00 0.00 175.10 175.37 3a1z s ILE 51 N 1.42 4.81 0.06 2.22 1.01 -1.26 0.51 121.20 129.97 3a1z s ILE 51 Ca -0.04 1.33 -0.30 0.00 0.00 0.00 0.00 60.65 61.63 3a1z s ILE 51 Cb -0.13 -3.97 -0.09 0.00 0.01 0.00 0.00 42.46 38.28 3a1z s ILE 51 CO -0.03 0.44 1.87 0.00 0.00 0.00 0.00 174.94 177.23 3a1z s ALA 52 N -0.41 3.65 0.46 9.38 0.00 0.43 -4.87 121.76 130.40 3a1z s ALA 52 Ca 0.32 1.32 0.12 0.00 0.00 0.00 0.00 51.96 53.72 3a1z s ALA 52 Cb -0.19 -3.80 1.04 0.00 0.00 0.00 0.00 23.12 20.17 3a1z s ALA 52 CO 0.19 -1.41 2.08 -1.35 0.00 0.00 0.00 175.76 175.27 3a1z h PRO 53 N 9.68 0.23 -0.76 0.00 0.11 -1.90 -2.33 132.00 137.03 3a1z h PRO 53 Ca -0.47 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3a1z h PRO 53 Cb 1.22 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3a1z h PRO 53 CO 0.94 0.19 0.03 -1.13 -0.21 0.00 0.00 178.00 177.82 3a1z n SER 54 N -4.47 3.90 0.00 -2.05 3.41 -1.26 -4.75 113.62 108.40 3a1z n SER 54 Ca -0.00 -2.61 0.00 0.00 -0.26 0.00 0.00 58.87 56.00 3a1z n SER 54 Cb 0.11 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 3a1z n SER 54 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3a1z n ASP 55 N 0.31 0.00 0.00 4.04 2.03 -0.88 -4.95 116.55 117.11 3a1z n ASP 55 Ca 0.19 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.59 3a1z n ASP 55 Cb 0.87 0.00 0.43 0.00 -0.72 0.00 0.00 41.12 41.70 3a1z n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3a1z n ALA 56 N 0.00 1.91 1.02 -1.67 0.00 -1.24 -1.84 120.51 118.69 3a1z n ALA 56 Ca 0.00 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.49 3a1z n ALA 56 Cb 0.00 -1.30 0.59 0.00 0.00 0.00 0.00 19.45 18.74 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 0.33 -1.27 3.47 0.00 0.00 -1.26 -4.67 105.19 101.79 3a1z n GLY 57 Ca 0.07 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.82 4.39 -0.11 -0.61 1.01 -0.76 -2.16 121.20 120.13 3a1z s ILE 58 Ca 0.17 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.69 3a1z s ILE 58 Cb 0.17 -3.04 0.02 0.00 0.01 0.00 0.00 42.46 39.61 3a1z s ILE 58 CO 0.43 0.36 -0.14 -0.69 0.00 0.00 0.00 174.94 174.89 3a1z s VAL 59 N 1.43 1.44 -0.25 2.92 1.01 -0.68 -0.43 120.40 125.84 3a1z s VAL 59 Ca 0.05 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.29 3a1z s VAL 59 Cb -0.15 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3a1z s VAL 59 CO 0.04 0.43 0.32 -0.63 0.00 0.00 0.00 175.10 175.25 3a1z s ILE 60 N 1.04 5.23 -0.34 2.22 -1.09 0.18 -1.12 121.20 127.32 3a1z s ILE 60 Ca -0.06 0.48 -0.08 0.00 -2.23 0.00 0.00 60.65 58.76 3a1z s ILE 60 Cb -0.15 -3.65 0.03 0.00 -1.58 0.00 0.00 42.46 37.12 3a1z s ILE 60 CO -0.02 0.22 0.13 -0.60 -1.23 0.00 0.00 174.94 173.43 3a1z s ARG 61 N 1.72 2.73 -0.05 2.79 6.06 -0.48 0.62 118.95 132.34 3a1z s ARG 61 Ca 0.13 -1.11 -0.13 0.00 -2.50 0.00 0.00 55.73 52.12 3a1z s ARG 61 Cb -0.15 -3.52 -0.05 0.00 0.06 0.00 0.00 34.95 31.29 3a1z s ARG 61 CO 0.09 -0.65 0.33 -0.06 -2.50 0.00 0.00 175.30 172.51 3a1z s PHE 62 N 1.45 3.67 -0.02 5.12 0.08 0.14 -1.14 117.98 127.27 3a1z s PHE 62 Ca -0.00 0.83 0.04 0.00 0.12 0.00 0.00 56.93 57.92 3a1z s PHE 62 Cb -0.19 -2.21 -0.01 0.00 -0.57 0.00 0.00 43.02 40.04 3a1z s PHE 62 CO 0.04 0.62 -0.13 0.15 -0.10 0.00 0.00 175.22 175.79 3a1z s LYS 63 N -0.88 1.21 -0.91 0.44 1.02 -0.58 -1.85 119.74 118.18 3a1z s LYS 63 Ca 0.21 -0.48 -0.05 0.00 0.02 0.00 0.00 55.97 55.67 3a1z s LYS 63 Cb -0.15 -1.13 0.01 0.00 -0.52 0.00 0.00 37.83 36.03 3a1z s LYS 63 CO 0.10 0.25 0.69 0.09 -0.92 0.00 0.00 175.35 175.56 3a1z n ASN 64 N 2.93 -4.79 -4.70 2.83 3.02 -0.81 -0.68 115.26 113.06 3a1z n ASN 64 Ca -0.16 -0.31 -0.42 0.00 -0.03 0.00 0.00 54.58 53.66 3a1z n ASN 64 Cb 0.55 -3.44 -0.03 0.00 -0.61 0.00 0.00 39.78 36.25 3a1z n ASN 64 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3a1z s LEU 65 N -4.97 4.36 -0.22 3.41 1.43 -0.11 -4.44 118.68 118.15 3a1z s LEU 65 Ca 0.34 2.49 -0.02 0.00 -1.03 0.00 0.00 54.13 55.91 3a1z s LEU 65 Cb -0.15 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.50 3a1z s LEU 65 CO 0.42 -0.82 -0.09 0.21 0.23 0.00 0.00 176.35 176.31 3a1z s ASN 66 N 1.69 4.02 -0.10 2.29 3.84 0.26 -0.49 114.94 126.46 3a1z s ASN 66 Ca 0.70 -0.59 0.02 0.00 0.21 0.00 0.00 52.86 53.20 3a1z s ASN 66 Cb -0.40 -1.66 0.02 0.00 -0.55 0.00 0.00 41.25 38.66 3a1z s ASN 66 CO 0.31 -0.05 -0.14 -0.63 -2.79 0.00 0.00 177.10 173.81 3a1z s ILE 67 N 1.39 1.37 0.21 -5.21 1.09 0.58 -0.63 121.20 120.01 3a1z s ILE 67 Ca 0.04 -0.57 0.11 0.00 -1.10 0.00 0.00 60.65 59.12 3a1z s ILE 67 Cb -0.15 -1.27 -0.04 0.00 -1.06 0.00 0.00 42.46 39.94 3a1z s ILE 67 CO -0.06 0.42 -0.21 0.42 -0.10 0.00 0.00 174.94 175.40 3a1z s THR 68 N 0.98 2.21 0.00 2.92 -4.23 -0.42 -0.35 115.64 116.75 3a1z s THR 68 Ca -0.07 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.34 3a1z s THR 68 Cb -0.15 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.60 3a1z s THR 68 CO -0.01 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 3a1z n GLY 69 N 0.04 1.45 0.21 3.99 0.00 -1.26 -1.07 105.19 108.54 3a1z n GLY 69 Ca -0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 -0.91 0.99 3.38 -1.81 -2.49 115.31 114.46 3a1z h LEU 70 Ca 0.00 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.20 3a1z h LEU 70 Cb 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.62 3a1z h LEU 70 CO 0.00 0.27 0.42 0.11 0.09 0.00 0.00 178.44 179.33 3a1z h LYS 71 N 0.00 0.40 -0.69 1.13 1.57 -1.87 -2.98 116.57 114.12 3a1z h LYS 71 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3a1z h LYS 71 Cb 0.72 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3a1z h LYS 71 CO 0.04 0.26 0.00 0.09 -0.57 0.00 0.00 179.45 179.27 3a1z n ASN 72 N -5.03 3.86 -4.75 0.86 3.02 -0.94 -3.75 115.26 108.53 3a1z n ASN 72 Ca 0.23 -2.02 -0.33 0.00 -0.03 0.00 0.00 54.58 52.43 3a1z n ASN 72 Cb 0.68 -0.46 0.07 0.00 -0.61 0.00 0.00 39.78 39.46 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 -1.03 2.46 -0.10 3.52 -2.07 -1.13 -4.95 119.66 116.37 3a1z s GLN 73 Ca 0.46 1.53 -0.12 0.00 -1.82 0.00 0.00 55.36 55.41 3a1z s GLN 73 Cb 0.24 -1.90 -0.05 0.00 -1.09 0.00 0.00 33.01 30.22 3a1z s GLN 73 CO 0.31 -1.54 0.29 -0.65 -1.32 0.00 0.00 175.29 172.38 3a1z s GLN 74 N -4.06 3.92 -1.19 9.60 1.11 -0.47 -4.91 119.66 123.66 3a1z s GLN 74 Ca 0.70 0.14 -0.12 0.00 0.01 0.00 0.00 55.36 56.08 3a1z s GLN 74 Cb -0.24 -3.29 0.20 0.00 -1.01 0.00 0.00 33.01 28.67 3a1z s GLN 74 CO 0.44 0.54 1.36 -0.89 0.01 0.00 0.00 175.29 176.74 3a1z n ILE 75 N 2.56 4.35 -1.77 1.08 2.08 -1.26 -2.63 119.36 123.77 3a1z n ILE 75 Ca -0.15 -4.92 -0.35 0.00 0.56 0.00 0.00 62.75 57.90 3a1z n ILE 75 Cb 0.53 -2.50 -0.03 0.00 -0.75 0.00 0.00 39.64 36.89 3a1z n ILE 75 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 3a1z n SER 76 N 4.75 7.44 0.00 4.38 3.41 -1.02 -4.75 113.62 127.83 3a1z n SER 76 Ca 0.33 -3.13 0.00 0.00 -0.26 0.00 0.00 58.87 55.81 3a1z n SER 76 Cb 0.41 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 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 1.48 0.00 -3.26 4.04 -0.08 -1.26 -4.72 116.55 112.76 3a1z n ASP 77 Ca 0.58 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.81 3a1z n ASP 77 Cb 0.37 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.79 3a1z n ASP 77 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 3a1z s PHE 78 N -0.31 -1.22 -0.19 -0.67 2.19 -1.26 -2.05 117.98 114.47 3a1z s PHE 78 Ca 0.00 0.87 -0.01 0.00 0.33 0.00 0.00 56.93 58.12 3a1z s PHE 78 Cb 0.00 0.12 0.00 0.00 -1.31 0.00 0.00 43.02 41.83 3a1z s PHE 78 CO 0.00 -0.90 -0.12 -0.65 1.83 0.00 0.00 175.22 175.38 3a1z s GLN 79 N 2.65 3.22 -0.22 10.12 -0.21 -0.02 -4.69 119.66 130.52 3a1z s GLN 79 Ca 0.13 -0.72 -0.02 0.00 0.02 0.00 0.00 55.36 54.77 3a1z s GLN 79 Cb -0.13 -2.77 0.01 0.00 1.00 0.00 0.00 33.01 31.12 3a1z s GLN 79 CO -0.23 -0.13 -0.09 1.41 -2.12 0.00 0.00 175.29 174.12 3a1z s MET 80 N 1.22 3.11 -0.29 2.91 1.75 -1.26 -1.29 119.30 125.44 3a1z s MET 80 Ca 0.02 -0.79 -0.09 0.00 -1.25 0.00 0.00 55.69 53.58 3a1z s MET 80 Cb -0.14 -2.88 -0.02 0.00 2.84 0.00 0.00 34.83 34.63 3a1z s MET 80 CO -0.05 -0.26 0.14 0.34 -0.65 0.00 0.00 175.02 174.54 3a1z s ASP 81 N 1.38 5.53 0.12 1.11 2.15 -0.75 -4.99 116.67 121.22 3a1z s ASP 81 Ca 0.04 -0.37 0.02 0.00 0.43 0.00 0.00 52.55 52.66 3a1z s ASP 81 Cb -0.15 -2.00 -0.17 0.00 -0.30 0.00 0.00 42.92 40.30 3a1z s ASP 81 CO -0.06 -0.14 1.26 0.74 -0.17 0.00 0.00 175.17 176.80 3a1z h THR 82 N 5.59 1.58 0.24 1.71 2.02 -1.96 0.53 112.91 122.61 3a1z h THR 82 Ca -0.34 -3.06 -0.33 0.00 0.77 0.00 0.00 66.41 63.45 3a1z h THR 82 Cb 1.16 2.77 0.03 0.00 -1.74 0.00 0.00 68.15 70.37 3a1z h THR 82 CO 0.60 0.89 -1.46 0.07 0.37 0.00 0.00 175.52 175.98 3a1z h LYS 83 N 0.06 0.51 0.00 6.66 2.10 -1.99 -3.22 116.57 120.70 3a1z h LYS 83 Ca -0.06 -0.87 0.00 0.00 -2.00 0.00 0.00 60.65 57.71 3a1z h LYS 83 Cb 1.76 0.33 0.00 0.00 -0.90 0.00 0.00 32.23 33.42 3a1z h LYS 83 CO 0.16 1.42 0.00 0.00 -2.00 0.00 0.00 179.45 179.02 3a1z h ALA 84 N 0.21 1.00 -6.42 0.07 0.00 -2.00 -3.48 119.26 108.63 3a1z h ALA 84 Ca -0.24 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.30 3a1z h ALA 84 Cb 2.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.94 3a1z h ALA 84 CO 0.27 0.00 -0.87 0.36 0.00 0.00 0.00 179.25 179.01 3a1z n LYS 85 N -2.57 -1.55 -4.08 0.00 -0.00 0.18 -4.87 118.16 105.26 3a1z n LYS 85 Ca 0.05 0.99 -0.08 0.00 -0.00 0.00 0.00 58.31 59.27 3a1z n LYS 85 Cb 0.45 -3.06 -0.10 0.00 -0.00 0.00 0.00 35.03 32.32 3a1z n LYS 85 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3a1z s THR 86 N -2.87 0.18 -0.08 0.58 -4.23 -1.04 -2.15 115.64 106.05 3a1z s THR 86 Ca 0.04 -1.78 0.03 0.00 -1.18 0.00 0.00 61.69 58.79 3a1z s THR 86 Cb -0.00 -1.64 0.01 0.00 1.34 0.00 0.00 72.50 72.21 3a1z s THR 86 CO 0.86 -0.84 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.27 3a1z s VAL 87 N -3.95 1.38 -0.09 2.29 1.01 0.42 -1.81 120.40 119.65 3a1z s VAL 87 Ca 0.11 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 3a1z s VAL 87 Cb 0.08 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 3a1z s VAL 87 CO -0.07 0.41 -0.07 -0.22 0.00 0.00 0.00 175.10 175.15 3a1z s LEU 88 N 0.63 3.15 -0.11 3.92 2.96 -0.41 -2.10 118.68 126.71 3a1z s LEU 88 Ca -0.15 -0.07 -0.19 0.00 -0.22 0.00 0.00 54.13 53.51 3a1z s LEU 88 Cb -0.16 -1.70 0.04 0.00 0.50 0.00 0.00 46.19 44.87 3a1z s LEU 88 CO 0.04 0.30 0.47 -1.48 -1.32 0.00 0.00 176.35 174.36 3a1z s LEU 89 N -0.45 0.22 0.07 -0.68 2.34 -0.79 -0.84 118.68 118.55 3a1z s LEU 89 Ca 0.07 0.67 0.08 0.00 0.06 0.00 0.00 54.13 55.01 3a1z s LEU 89 Cb -0.12 1.69 -0.04 0.00 -0.56 0.00 0.00 46.19 47.16 3a1z s LEU 89 CO 0.02 -0.32 -0.17 -0.54 -1.06 0.00 0.00 176.35 174.28 3a1z s LYS 90 N -0.44 1.98 0.23 1.48 -0.14 -0.87 -1.30 119.74 120.68 3a1z s LYS 90 Ca -0.06 -1.05 -0.01 0.00 -1.36 0.00 0.00 55.97 53.50 3a1z s LYS 90 Cb -0.03 -2.18 -0.03 0.00 -1.68 0.00 0.00 37.83 33.91 3a1z s LYS 90 CO 0.03 0.52 0.19 0.95 -0.76 0.00 0.00 175.35 176.29 3a1z s THR 91 N -1.02 0.00 -0.01 2.17 -4.23 -0.65 -2.42 115.64 109.48 3a1z s THR 91 Ca 0.16 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 3a1z s THR 91 Cb -0.11 -2.48 0.01 0.00 1.34 0.00 0.00 72.50 71.26 3a1z s THR 91 CO 0.08 0.00 0.00 -0.54 -0.54 0.00 0.00 174.62 173.62 3a1z s LYS 92 N -3.99 0.03 0.01 3.99 1.02 -1.08 -1.78 119.74 117.94 3a1z s LYS 92 Ca 0.38 0.03 0.02 0.00 0.02 0.00 0.00 55.97 56.42 3a1z s LYS 92 Cb 0.05 -0.09 -0.01 0.00 -0.52 0.00 0.00 37.83 37.26 3a1z s LYS 92 CO 0.15 -0.03 -0.08 0.00 -0.92 0.00 0.00 175.35 174.47 3a1z s ALA 93 N 0.23 0.61 -0.37 5.17 0.00 -0.78 -1.37 121.76 125.25 3a1z s ALA 93 Ca -0.02 -0.48 -0.19 0.00 0.00 0.00 0.00 51.96 51.27 3a1z s ALA 93 Cb -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.01 3a1z s ALA 93 CO -0.01 0.09 0.54 0.34 0.00 0.00 0.00 175.76 176.73 3a1z s ASP 94 N -0.70 6.32 -0.13 0.00 -1.08 -1.26 -0.65 116.67 119.17 3a1z s ASP 94 Ca -0.01 -0.10 -0.05 0.00 -0.52 0.00 0.00 52.55 51.87 3a1z s ASP 94 Cb -0.05 -2.28 -0.04 0.00 -1.46 0.00 0.00 42.92 39.09 3a1z s ASP 94 CO 0.00 -0.55 0.03 -0.76 0.52 0.00 0.00 175.17 174.41 3a1z s LEU 95 N 2.48 3.70 -0.22 -1.34 1.43 0.89 -4.29 118.68 121.33 3a1z s LEU 95 Ca 0.20 0.12 -0.07 0.00 -1.03 0.00 0.00 54.13 53.35 3a1z s LEU 95 Cb -0.15 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 3a1z s LEU 95 CO 0.14 0.28 0.05 -1.00 0.23 0.00 0.00 176.35 176.05 3a1z s HIS 96 N -0.29 3.10 -0.07 0.29 3.76 -0.23 -2.47 115.29 119.37 3a1z s HIS 96 Ca 0.07 -0.31 0.05 0.00 -0.15 0.00 0.00 55.06 54.72 3a1z s HIS 96 Cb -0.12 -2.15 -0.00 0.00 1.11 0.00 0.00 32.58 31.41 3a1z s HIS 96 CO 0.02 -0.20 -0.23 0.42 -0.85 0.00 0.00 174.74 173.90 3a1z s ILE 97 N 1.12 1.91 -0.01 0.60 1.01 0.61 -1.30 121.20 125.15 3a1z s ILE 97 Ca 0.04 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.73 3a1z s ILE 97 Cb -0.14 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.69 3a1z s ILE 97 CO 0.03 0.53 -0.04 -0.69 0.00 0.00 0.00 174.94 174.77 3a1z s VAL 98 N 0.09 0.34 0.05 2.92 1.01 0.20 -1.58 120.40 123.43 3a1z s VAL 98 Ca -0.10 -0.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.46 3a1z s VAL 98 Cb -0.15 -0.30 0.10 0.00 0.00 0.00 0.00 36.38 36.02 3a1z s VAL 98 CO 0.05 0.11 1.18 -0.83 0.00 0.00 0.00 175.10 175.61 3a1z s GLY 99 N 0.07 -0.20 0.40 4.51 0.00 -0.81 0.93 107.32 112.22 3a1z s GLY 99 Ca -0.00 0.21 -0.24 0.00 0.00 0.00 0.00 44.72 44.69 3a1z s GLY 99 CO -0.00 2.00 1.03 0.99 0.00 0.00 0.00 173.10 177.12 3a1z s ASP 100 N -3.28 6.77 0.00 1.64 1.01 0.14 -1.14 116.67 121.82 3a1z s ASP 100 Ca 0.19 1.98 0.01 0.00 0.71 0.00 0.00 52.55 55.44 3a1z s ASP 100 Cb 0.01 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.36 3a1z s ASP 100 CO -0.00 -0.48 -0.03 -0.51 0.21 0.00 0.00 175.17 174.36 3a1z s ILE 101 N -1.73 0.20 -0.18 0.77 2.07 0.01 -1.53 121.20 120.80 3a1z s ILE 101 Ca 0.59 -0.22 0.00 0.00 -1.41 0.00 0.00 60.65 59.60 3a1z s ILE 101 Cb -0.20 -0.19 0.04 0.00 0.13 0.00 0.00 42.46 42.24 3a1z s ILE 101 CO 0.25 -0.02 -0.08 -0.69 -1.91 0.00 0.00 174.94 172.49 3a1z s VAL 102 N -0.25 1.36 -0.39 4.00 1.01 -0.30 -1.20 120.40 124.63 3a1z s VAL 102 Ca -0.01 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 60.98 3a1z s VAL 102 Cb -0.02 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.88 3a1z s VAL 102 CO -0.00 0.15 0.54 -0.63 0.00 0.00 0.00 175.10 175.16 3a1z s ILE 103 N 1.52 4.97 -0.34 2.22 1.01 0.62 -1.38 121.20 129.83 3a1z s ILE 103 Ca -0.00 0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.70 3a1z s ILE 103 Cb -0.16 -4.05 0.04 0.00 0.01 0.00 0.00 42.46 38.30 3a1z s ILE 103 CO -0.08 -0.38 0.12 -0.70 0.00 0.00 0.00 174.94 173.90 3a1z s GLU 104 N 2.47 2.68 -1.19 2.79 2.12 -0.28 -0.86 118.70 126.44 3a1z s GLU 104 Ca 0.18 -1.14 -0.11 0.00 0.36 0.00 0.00 54.97 54.26 3a1z s GLU 104 Cb -0.15 -3.50 0.21 0.00 0.26 0.00 0.00 34.13 30.94 3a1z s GLU 104 CO 0.15 -0.66 1.43 1.28 -0.54 0.00 0.00 175.26 176.92 3a1z n LEU 105 N 4.85 5.61 -0.20 2.70 4.77 0.86 -1.69 117.00 133.90 3a1z n LEU 105 Ca -0.12 -4.70 0.17 0.00 -0.03 0.00 0.00 56.01 51.33 3a1z n LEU 105 Cb 0.45 -1.54 0.50 0.00 -2.33 0.00 0.00 43.42 40.50 3a1z n LEU 105 CO 0.32 1.06 1.22 0.74 -1.33 0.00 0.00 177.39 179.40 3a1z h THR 106 N 4.15 0.76 0.00 -5.08 2.02 -1.63 -0.02 112.91 113.11 3a1z h THR 106 Ca 0.29 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.32 3a1z h THR 106 Cb 0.81 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3a1z h THR 106 CO 1.25 0.08 0.00 -0.62 0.37 0.00 0.00 175.52 176.60 3a1z n GLU 107 N -4.49 0.16 0.00 6.66 1.02 -1.26 -2.83 120.64 119.90 3a1z n GLU 107 Ca 0.16 0.17 0.09 0.00 -0.02 0.00 0.00 57.16 57.56 3a1z n GLU 107 Cb 0.59 -1.70 0.04 0.00 -0.02 0.00 0.00 31.44 30.35 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 -1.98 1.58 -1.45 3.49 6.02 -0.09 -4.97 117.38 119.98 3a1z n GLN 108 Ca 0.06 -1.25 -0.11 0.00 -0.01 0.00 0.00 57.00 55.68 3a1z n GLN 108 Cb 0.37 -1.34 -0.04 0.00 1.02 0.00 0.00 30.24 30.25 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 0.50 -4.26 -4.18 1.08 7.64 -0.82 -4.99 113.62 108.59 3a1z n SER 109 Ca 0.09 0.24 -0.11 0.00 1.01 0.00 0.00 58.87 60.10 3a1z n SER 109 Cb 0.42 -2.85 -0.10 0.00 -1.01 0.00 0.00 64.21 60.67 3a1z n SER 109 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3a1z s LYS 110 N -3.17 1.02 0.05 1.43 -2.85 -1.14 -5.04 119.74 110.03 3a1z s LYS 110 Ca 0.00 -1.50 -0.00 0.00 -1.00 0.00 0.00 55.97 53.47 3a1z s LYS 110 Cb 0.00 0.13 -0.03 0.00 -2.06 0.00 0.00 37.83 35.86 3a1z s LYS 110 CO 0.00 -0.25 -0.04 -1.12 0.10 0.00 0.00 175.35 174.04 3a1z s SER 111 N -3.10 0.53 0.01 0.03 0.01 -1.26 -0.10 113.70 109.83 3a1z s SER 111 Ca 0.27 -0.86 0.06 0.00 1.31 0.00 0.00 55.95 56.72 3a1z s SER 111 Cb 0.07 0.16 -0.02 0.00 0.21 0.00 0.00 66.02 66.44 3a1z s SER 111 CO 0.04 -0.49 -0.18 -0.36 0.41 0.00 0.00 173.24 172.66 3a1z s PHE 112 N -3.19 1.58 0.01 2.43 0.08 -0.04 -4.96 117.98 113.90 3a1z s PHE 112 Ca 0.01 -0.33 0.07 0.00 0.12 0.00 0.00 56.93 56.80 3a1z s PHE 112 Cb 0.03 -0.98 -0.02 0.00 -0.57 0.00 0.00 43.02 41.48 3a1z s PHE 112 CO -0.07 0.02 -0.20 0.99 -0.10 0.00 0.00 175.22 175.86 3a1z s THR 113 N -0.61 1.62 -0.22 0.64 2.01 -1.26 -0.27 115.64 117.54 3a1z s THR 113 Ca 0.06 -1.02 0.00 0.00 0.31 0.00 0.00 61.69 61.04 3a1z s THR 113 Cb -0.08 -1.38 0.00 0.00 0.01 0.00 0.00 72.50 71.06 3a1z s THR 113 CO 0.00 0.33 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 3a1z n GLY 114 N 2.22 -0.91 3.57 4.40 0.00 -0.34 -4.32 105.19 109.81 3a1z n GLY 114 Ca -0.16 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 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 2.96 0.03 0.99 2.01 -1.26 -0.81 118.68 122.59 3a1z s LEU 115 Ca 0.00 -0.61 0.02 0.00 0.01 0.00 0.00 54.13 53.55 3a1z s LEU 115 Cb 0.00 -1.62 -0.02 0.00 0.01 0.00 0.00 46.19 44.56 3a1z s LEU 115 CO 0.00 0.09 -0.08 -0.47 1.01 0.00 0.00 176.35 176.91 3a1z s TYR 116 N -1.79 0.66 -0.12 0.29 6.14 -0.29 -0.63 117.35 121.61 3a1z s TYR 116 Ca 0.25 -0.38 -0.10 0.00 0.64 0.00 0.00 57.07 57.48 3a1z s TYR 116 Cb -0.08 -0.40 0.03 0.00 0.42 0.00 0.00 41.96 41.93 3a1z s TYR 116 CO 0.15 -0.05 0.32 0.99 0.64 0.00 0.00 175.55 177.60 3a1z s THR 117 N -1.01 -0.01 -0.11 4.34 2.01 -0.97 -1.93 115.64 117.96 3a1z s THR 117 Ca -0.06 0.02 -0.06 0.00 0.31 0.00 0.00 61.69 61.91 3a1z s THR 117 Cb -0.08 -0.45 0.05 0.00 0.01 0.00 0.00 72.50 72.03 3a1z s THR 117 CO 0.00 0.01 0.26 0.00 -0.69 0.00 0.00 174.62 174.21 3a1z s ALA 118 N 0.38 -0.61 -0.20 7.40 0.00 -0.61 -1.44 121.76 126.67 3a1z s ALA 118 Ca -0.02 1.05 -0.01 0.00 0.00 0.00 0.00 51.96 52.98 3a1z s ALA 118 Cb -0.04 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.38 3a1z s ALA 118 CO -0.02 -0.27 -0.13 0.34 0.00 0.00 0.00 175.76 175.69 3a1z s ASP 119 N 1.44 3.68 -0.04 0.00 -1.08 0.34 -0.29 116.67 120.72 3a1z s ASP 119 Ca -0.08 -0.62 -0.22 0.00 -0.52 0.00 0.00 52.55 51.11 3a1z s ASP 119 Cb -0.10 -1.59 0.05 0.00 -1.46 0.00 0.00 42.92 39.82 3a1z s ASP 119 CO -0.09 -0.03 0.49 0.28 0.52 0.00 0.00 175.17 176.34 3a1z s THR 120 N 1.35 0.03 -0.22 1.71 -1.32 -1.03 -0.51 115.64 115.64 3a1z s THR 120 Ca 0.04 -0.23 -0.05 0.00 -1.21 0.00 0.00 61.69 60.25 3a1z s THR 120 Cb -0.14 -0.79 -0.02 0.00 -1.51 0.00 0.00 72.50 70.04 3a1z s THR 120 CO -0.09 -0.12 -0.01 0.20 -2.21 0.00 0.00 174.62 172.39 3a1z s ASN 121 N -1.14 4.65 -0.06 8.08 -0.87 -1.26 -0.07 114.94 124.27 3a1z s ASN 121 Ca -0.11 -0.28 0.04 0.00 -1.57 0.00 0.00 52.86 50.93 3a1z s ASN 121 Cb -0.03 -1.80 -0.02 0.00 -0.02 0.00 0.00 41.25 39.38 3a1z s ASN 121 CO 0.07 0.01 -0.17 -0.69 -2.57 0.00 0.00 177.10 173.74 3a1z s VAL 122 N 1.31 2.78 -0.10 1.60 1.01 0.17 -3.14 120.40 124.04 3a1z s VAL 122 Ca 0.04 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.24 3a1z s VAL 122 Cb -0.15 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.16 3a1z s VAL 122 CO 0.00 0.57 -0.22 -0.63 0.00 0.00 0.00 175.10 174.82 3a1z s ILE 123 N -0.41 1.92 0.33 2.22 1.01 0.24 -1.87 121.20 124.64 3a1z s ILE 123 Ca 0.04 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.75 3a1z s ILE 123 Cb -0.12 -1.67 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 3a1z s ILE 123 CO 0.02 0.53 0.41 -0.83 0.00 0.00 0.00 174.94 175.07 3a1z s GLY 124 N 0.40 1.64 -0.04 6.18 0.00 -0.73 0.50 107.32 115.27 3a1z s GLY 124 Ca -0.18 -1.63 -0.02 0.00 0.00 0.00 0.00 44.72 42.89 3a1z s GLY 124 CO 0.08 -1.11 0.10 0.00 0.00 0.00 0.00 173.10 172.16 3a1z s ALA 125 N -3.24 -0.17 -0.11 3.20 0.00 -0.49 -1.64 121.76 119.30 3a1z s ALA 125 Ca 0.33 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.76 3a1z s ALA 125 Cb 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 3a1z s ALA 125 CO 0.21 -0.11 -0.17 0.08 0.00 0.00 0.00 175.76 175.77 3a1z s VAL 126 N 0.78 2.71 -0.01 0.00 1.01 -0.42 -0.83 120.40 123.64 3a1z s VAL 126 Ca -0.06 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.17 3a1z s VAL 126 Cb -0.08 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 3a1z s VAL 126 CO -0.03 0.54 -0.15 -0.13 0.00 0.00 0.00 175.10 175.33 3a1z s ARG 127 N 0.25 1.19 0.13 2.72 0.52 -0.60 -1.88 118.95 121.28 3a1z s ARG 127 Ca -0.12 -0.54 -0.19 0.00 -0.52 0.00 0.00 55.73 54.36 3a1z s ARG 127 Cb -0.16 -1.16 0.05 0.00 0.52 0.00 0.00 34.95 34.20 3a1z s ARG 127 CO 0.06 0.32 0.49 1.52 0.02 0.00 0.00 175.30 177.70 3a1z s TYR 128 N -0.36 -0.35 0.54 -0.53 -0.85 -0.89 -0.63 117.35 114.28 3a1z s TYR 128 Ca 0.06 0.12 0.06 0.00 -0.52 0.00 0.00 57.07 56.78 3a1z s TYR 128 Cb -0.06 0.37 0.06 0.00 0.38 0.00 0.00 41.96 42.72 3a1z s TYR 128 CO -0.01 -0.75 0.75 0.20 -1.52 0.00 0.00 175.55 174.23 3a1z s GLY 129 N -2.68 1.83 0.18 5.49 0.00 -1.26 0.16 107.32 111.04 3a1z s GLY 129 Ca 0.01 -1.78 -0.15 0.00 0.00 0.00 0.00 44.72 42.80 3a1z s GLY 129 CO -0.11 -1.42 0.46 -2.52 0.00 0.00 0.00 173.10 169.51 3a1z s TYR 130 N -2.65 -0.01 0.27 1.90 -0.85 -0.91 -1.41 117.35 113.68 3a1z s TYR 130 Ca 0.59 -0.34 0.02 0.00 -0.52 0.00 0.00 57.07 56.83 3a1z s TYR 130 Cb -0.08 0.28 -0.04 0.00 0.38 0.00 0.00 41.96 42.51 3a1z s TYR 130 CO 0.38 -0.86 0.17 0.54 -1.52 0.00 0.00 175.55 174.26 3a1z s ASN 131 N -2.89 1.02 -0.02 -0.18 4.22 -0.96 -4.78 114.94 111.35 3a1z s ASN 131 Ca 0.10 -1.53 -0.02 0.00 -2.14 0.00 0.00 52.86 49.27 3a1z s ASN 131 Cb 0.00 0.41 -0.04 0.00 1.28 0.00 0.00 41.25 42.90 3a1z s ASN 131 CO -0.03 -0.90 0.15 -0.76 -2.04 0.00 0.00 177.10 173.52 3a1z s LEU 132 N -3.29 4.22 0.11 3.54 1.02 -1.26 -0.96 118.68 122.06 3a1z s LEU 132 Ca 0.38 0.30 -0.16 0.00 0.02 0.00 0.00 54.13 54.67 3a1z s LEU 132 Cb 0.05 -2.44 0.03 0.00 0.02 0.00 0.00 46.19 43.85 3a1z s LEU 132 CO 0.18 0.28 0.40 -0.75 0.02 0.00 0.00 176.35 176.48 3a1z s LYS 133 N -1.77 1.04 -0.10 1.70 2.20 -0.83 -4.96 119.74 117.02 3a1z s LYS 133 Ca 0.24 -0.65 -0.03 0.00 -0.36 0.00 0.00 55.97 55.17 3a1z s LYS 133 Cb -0.12 0.46 -0.03 0.00 -1.51 0.00 0.00 37.83 36.62 3a1z s LYS 133 CO 0.15 -0.40 0.02 -0.80 -0.36 0.00 0.00 175.35 173.97 3a1z s ASN 134 N -2.67 5.41 1.02 1.43 0.01 -1.26 -0.69 114.94 118.19 3a1z s ASN 134 Ca 0.02 0.17 -0.25 0.00 -0.71 0.00 0.00 52.86 52.09 3a1z s ASN 134 Cb 0.01 -1.61 -0.14 0.00 0.41 0.00 0.00 41.25 39.93 3a1z s ASN 134 CO -0.10 0.36 -1.15 0.47 -1.51 0.00 0.00 177.10 175.16 3a1z n ASP 135 N 2.30 -3.28 0.16 -1.22 8.00 0.21 -4.83 116.55 117.90 3a1z n ASP 135 Ca -0.19 0.01 0.13 0.00 0.71 0.00 0.00 54.79 55.45 3a1z n ASP 135 Cb 0.54 -0.63 0.56 0.00 -0.02 0.00 0.00 41.12 41.56 3a1z n ASP 135 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3a1z h ASP 136 N -1.20 0.00 -0.18 -2.24 5.19 -1.99 -2.04 116.42 113.96 3a1z h ASP 136 Ca -0.42 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 3a1z h ASP 136 Cb 1.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.89 3a1z h ASP 136 CO 0.25 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.96 3a1z n ASN 137 N -2.37 2.89 -0.02 6.45 3.02 -1.26 -4.95 115.26 119.01 3a1z n ASN 137 Ca 0.01 -1.86 0.00 0.00 -0.03 0.00 0.00 54.58 52.70 3a1z n ASN 137 Cb 0.20 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 3a1z n ASN 137 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a1z n GLY 138 N 1.15 0.57 3.83 7.41 0.00 -0.77 -5.06 105.19 112.32 3a1z n GLY 138 Ca 0.14 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 3a1z n GLY 138 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a1z s VAL 139 N -2.04 5.37 -0.07 1.61 1.01 -1.26 -4.77 120.40 120.25 3a1z s VAL 139 Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 3a1z s VAL 139 Cb 0.00 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 3a1z s VAL 139 CO 0.00 0.59 1.07 -1.10 0.00 0.00 0.00 175.10 175.66 3a1z s GLN 140 N -0.78 4.42 0.19 2.72 -0.21 -1.26 0.68 119.66 125.41 3a1z s GLN 140 Ca 0.14 1.50 0.09 0.00 0.02 0.00 0.00 55.36 57.11 3a1z s GLN 140 Cb -0.12 -3.53 -0.04 0.00 1.00 0.00 0.00 33.01 30.32 3a1z s GLN 140 CO 0.03 -0.33 -0.11 -1.01 -2.12 0.00 0.00 175.29 171.75 3a1z s HIS 141 N 1.93 2.59 0.68 0.91 3.76 0.14 0.95 115.29 126.24 3a1z s HIS 141 Ca 0.51 -0.24 -0.15 0.00 -0.15 0.00 0.00 55.06 55.04 3a1z s HIS 141 Cb -0.21 -1.26 0.01 0.00 1.11 0.00 0.00 32.58 32.23 3a1z s HIS 141 CO 0.21 0.52 1.12 -0.06 -0.85 0.00 0.00 174.74 175.68 3a1z s PHE 142 N -1.75 2.53 -0.14 1.40 0.08 -1.26 -1.97 117.98 116.87 3a1z s PHE 142 Ca 0.25 1.56 -0.02 0.00 0.12 0.00 0.00 56.93 58.84 3a1z s PHE 142 Cb -0.08 -3.20 0.04 0.00 -0.57 0.00 0.00 43.02 39.21 3a1z s PHE 142 CO 0.15 -1.83 0.01 -2.00 -0.10 0.00 0.00 175.22 171.45 3a1z s GLU 143 N -4.12 0.76 -0.13 0.44 2.12 -0.14 -4.56 118.70 113.06 3a1z s GLU 143 Ca 0.68 -0.22 -0.11 0.00 0.36 0.00 0.00 54.97 55.67 3a1z s GLU 143 Cb -0.21 -1.65 -0.05 0.00 0.26 0.00 0.00 34.13 32.48 3a1z s GLU 143 CO 0.43 -0.48 0.23 0.14 -0.54 0.00 0.00 175.26 175.05 3a1z s VAL 144 N 1.87 5.34 0.54 3.70 -7.23 -1.26 -2.28 120.40 121.08 3a1z s VAL 144 Ca 0.02 0.42 -0.00 0.00 -1.81 0.00 0.00 61.98 60.60 3a1z s VAL 144 Cb -0.15 -3.54 0.02 0.00 0.56 0.00 0.00 36.38 33.27 3a1z s VAL 144 CO -0.07 0.50 0.77 -1.10 -0.31 0.00 0.00 175.10 174.89 3a1z s GLN 145 N -0.26 2.69 0.09 4.82 -0.21 -0.50 -4.94 119.66 121.36 3a1z s GLN 145 Ca 0.15 -0.60 -0.36 0.00 0.02 0.00 0.00 55.36 54.57 3a1z s GLN 145 Cb -0.13 -2.47 -0.17 0.00 1.00 0.00 0.00 33.01 31.25 3a1z s GLN 145 CO 0.04 -0.62 1.31 -2.30 -2.12 0.00 0.00 175.29 171.59 3a1z n PRO 146 N -2.33 1.09 -3.58 2.91 -0.02 -1.26 -4.67 135.00 127.14 3a1z n PRO 146 Ca 0.06 0.39 -0.23 0.00 -2.02 0.00 0.00 63.50 61.70 3a1z n PRO 146 Cb 0.59 -2.01 -0.00 0.00 -0.02 0.00 0.00 33.50 32.06 3a1z n PRO 146 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3a1z s GLU 147 N 0.37 2.39 0.16 -0.52 1.03 -1.26 -4.64 118.70 116.22 3a1z s GLU 147 Ca 0.84 -1.73 0.10 0.00 0.03 0.00 0.00 54.97 54.20 3a1z s GLU 147 Cb -0.96 -2.33 -0.04 0.00 -0.80 0.00 0.00 34.13 30.00 3a1z s GLU 147 CO 0.48 -0.48 -0.22 0.95 -1.33 0.00 0.00 175.26 174.66 3a1z s THR 148 N -2.62 2.06 -0.09 1.83 -4.23 0.20 -4.95 115.64 107.84 3a1z s THR 148 Ca 0.45 -1.86 0.02 0.00 -1.18 0.00 0.00 61.69 59.12 3a1z s THR 148 Cb -0.03 -1.92 0.01 0.00 1.34 0.00 0.00 72.50 71.90 3a1z s THR 148 CO 0.27 -0.13 -0.16 0.12 -0.54 0.00 0.00 174.62 174.18 3a1z s PHE 149 N -1.59 1.88 -0.15 3.99 5.36 -1.26 -1.56 117.98 124.65 3a1z s PHE 149 Ca 0.15 -0.79 -0.01 0.00 -0.96 0.00 0.00 56.93 55.33 3a1z s PHE 149 Cb -0.08 -1.34 -0.01 0.00 -0.34 0.00 0.00 43.02 41.25 3a1z s PHE 149 CO 0.07 -0.38 -0.11 0.99 -1.46 0.00 0.00 175.22 174.34 3a1z s THR 150 N 0.71 3.15 -0.72 0.12 2.01 -0.01 -4.97 115.64 115.93 3a1z s THR 150 Ca -0.13 -0.61 -0.22 0.00 0.31 0.00 0.00 61.69 61.04 3a1z s THR 150 Cb -0.16 -2.36 0.08 0.00 0.01 0.00 0.00 72.50 70.07 3a1z s THR 150 CO 0.03 0.50 1.02 0.00 -0.69 0.00 0.00 174.62 175.48 3a1z h GLU 152 N 9.48 0.19 -2.01 0.00 5.08 -0.28 -3.47 114.58 123.56 3a1z h GLU 152 Ca -0.20 -0.27 0.18 0.00 -1.00 0.00 0.00 59.36 58.07 3a1z h GLU 152 Cb 1.06 0.09 -0.14 0.00 0.50 0.00 0.00 28.75 30.26 3a1z h GLU 152 CO 1.18 1.08 0.61 -1.54 -1.00 0.00 0.00 179.01 179.34 3a1z s SER 153 N -6.97 -0.24 -0.02 1.42 1.04 -0.84 -4.97 113.70 103.13 3a1z s SER 153 Ca -0.02 -0.09 0.06 0.00 0.48 0.00 0.00 55.95 56.37 3a1z s SER 153 Cb 0.09 0.32 0.16 0.00 0.10 0.00 0.00 66.02 66.69 3a1z s SER 153 CO 0.85 -0.54 1.13 2.30 0.98 0.00 0.00 173.24 177.95 3a1z n ILE 154 N -0.28 1.12 -1.39 -1.02 -5.35 -1.26 -0.59 119.36 110.58 3a1z n ILE 154 Ca -0.06 -1.12 0.00 0.00 -0.27 0.00 0.00 62.75 61.30 3a1z n ILE 154 Cb 0.61 0.42 0.00 0.00 -1.74 0.00 0.00 39.64 38.93 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 -0.16 3.04 2.48 3.28 0.00 -1.19 -4.01 105.19 108.63 3a1z n GLY 155 Ca 0.07 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 3a1z n GLY 155 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a1z s GLU 156 N 0.00 1.00 0.54 1.61 2.56 -1.26 -5.03 118.70 118.12 3a1z s GLU 156 Ca 0.00 -2.04 -0.19 0.00 0.00 0.00 0.00 54.97 52.74 3a1z s GLU 156 Cb 0.00 -1.64 -0.06 0.00 2.00 0.00 0.00 34.13 34.43 3a1z s GLU 156 CO 0.00 -1.32 1.09 -1.25 -0.56 0.00 0.00 175.26 173.21 3a1z s PRO 157 N 0.16 3.44 -0.23 4.30 0.04 -1.26 -4.94 135.00 136.52 3a1z s PRO 157 Ca 0.28 1.45 -0.10 0.00 0.04 0.00 0.00 61.00 62.67 3a1z s PRO 157 Cb -0.05 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 3a1z s PRO 157 CO -0.14 -0.74 0.13 0.15 0.04 0.00 0.00 177.00 176.45 3a1z s LYS 158 N -3.46 4.03 -0.01 4.56 -0.14 0.33 -4.96 119.74 120.10 3a1z s LYS 158 Ca 0.69 -0.29 0.06 0.00 -1.36 0.00 0.00 55.97 55.07 3a1z s LYS 158 Cb -0.20 -3.46 -0.02 0.00 -1.68 0.00 0.00 37.83 32.47 3a1z s LYS 158 CO 0.27 0.09 -0.19 0.42 -0.76 0.00 0.00 175.35 175.19 3a1z s ILE 159 N 0.94 1.47 0.01 2.17 1.09 -1.26 -0.51 121.20 125.11 3a1z s ILE 159 Ca 0.07 -0.85 0.02 0.00 -1.10 0.00 0.00 60.65 58.79 3a1z s ILE 159 Cb -0.13 -1.24 -0.01 0.00 -1.06 0.00 0.00 42.46 40.02 3a1z s ILE 159 CO 0.03 0.37 -0.06 -0.89 -0.10 0.00 0.00 174.94 174.29 3a1z s THR 160 N -0.49 0.47 -0.02 2.92 2.01 -0.52 -5.00 115.64 115.01 3a1z s THR 160 Ca 0.07 -0.51 0.05 0.00 0.31 0.00 0.00 61.69 61.61 3a1z s THR 160 Cb -0.07 -0.45 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 3a1z s THR 160 CO -0.00 -0.04 -0.15 -0.76 -0.69 0.00 0.00 174.62 172.98 3a1z s LEU 161 N -0.60 2.71 0.56 4.42 1.43 -1.26 -2.29 118.68 123.65 3a1z s LEU 161 Ca -0.02 -0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 52.62 3a1z s LEU 161 Cb -0.05 -1.56 -0.06 0.00 0.03 0.00 0.00 46.19 44.55 3a1z s LEU 161 CO 0.00 0.32 0.94 -1.54 0.23 0.00 0.00 176.35 176.29 3a1z n SER 162 N 2.04 0.73 0.25 2.29 3.41 0.19 -4.67 113.62 117.86 3a1z n SER 162 Ca -0.17 0.84 0.14 0.00 -0.26 0.00 0.00 58.87 59.43 3a1z n SER 162 Cb 0.52 -1.37 0.52 0.00 -0.26 0.00 0.00 64.21 63.62 3a1z n SER 162 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3a1z h SER 163 N 0.68 0.00 -0.60 4.04 4.64 -1.98 -0.86 113.55 119.47 3a1z h SER 163 Ca -0.48 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.81 3a1z h SER 163 Cb 1.36 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.42 3a1z h SER 163 CO 0.52 0.06 0.24 -2.24 -0.87 0.00 0.00 176.83 174.54 3a1z h ASP 164 N 0.00 0.83 -0.12 4.97 2.03 -1.94 -1.37 116.42 120.82 3a1z h ASP 164 Ca -0.00 -0.17 -0.06 0.00 -0.73 0.00 0.00 57.03 56.07 3a1z h ASP 164 Cb 0.68 -0.22 -0.00 0.00 -0.83 0.00 0.00 39.33 38.96 3a1z h ASP 164 CO 0.01 0.78 -0.15 0.25 -1.03 0.00 0.00 179.24 179.09 3a1z h LEU 165 N 0.83 0.34 -0.77 0.15 6.46 -1.45 -0.69 115.31 120.19 3a1z h LEU 165 Ca 0.20 -0.51 -0.11 0.00 -0.12 0.00 0.00 57.88 57.34 3a1z h LEU 165 Cb 0.21 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.03 3a1z h LEU 165 CO -0.02 0.78 -0.52 0.77 -0.62 0.00 0.00 178.44 178.83 3a1z h SER 166 N -0.09 0.00 -0.39 1.25 4.64 -1.19 0.21 113.55 117.97 3a1z h SER 166 Ca 0.01 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.18 3a1z h SER 166 Cb 0.70 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 3a1z h SER 166 CO 0.04 0.52 -0.36 -1.28 -0.87 0.00 0.00 176.83 174.88 3a1z h SER 167 N 0.00 1.00 -0.64 4.97 0.87 -1.25 -1.34 113.55 117.16 3a1z h SER 167 Ca -0.01 -0.46 -0.04 0.00 -1.23 0.00 0.00 61.79 60.05 3a1z h SER 167 Cb 1.05 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.70 3a1z h SER 167 CO 0.07 1.25 0.24 0.00 -0.53 0.00 0.00 176.83 177.86 3a1z h ALA 168 N 0.78 0.84 0.04 6.23 0.00 0.50 -2.06 119.26 125.58 3a1z h ALA 168 Ca 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3a1z h ALA 168 Cb 0.96 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3a1z h ALA 168 CO 0.09 0.48 -0.02 -0.07 0.00 0.00 0.00 179.25 179.73 3a1z h LEU 169 N 0.91 -0.04 -0.87 0.00 3.38 -0.56 -2.24 115.31 115.90 3a1z h LEU 169 Ca 0.21 -0.14 0.12 0.00 0.09 0.00 0.00 57.88 58.15 3a1z h LEU 169 Cb 0.24 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.92 3a1z h LEU 169 CO -0.01 0.12 0.49 -0.08 0.09 0.00 0.00 178.44 179.05 3a1z h GLU 170 N -0.20 0.76 0.00 1.13 4.81 -1.24 -2.13 114.58 117.70 3a1z h GLU 170 Ca -0.00 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3a1z h GLU 170 Cb 0.18 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 3a1z h GLU 170 CO 0.01 0.50 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.55 3a1z h LYS 171 N 0.78 0.00 0.00 1.92 3.64 -0.81 -0.93 116.57 121.17 3a1z h LYS 171 Ca 0.44 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.80 3a1z h LYS 171 Cb 0.48 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3a1z h LYS 171 CO -0.28 0.02 -0.09 0.22 -2.27 0.00 0.00 179.45 177.05 3a1z h ASP 172 N 0.00 0.00 0.42 4.20 3.58 -0.87 -3.36 116.42 120.39 3a1z h ASP 172 Ca -0.00 -0.90 0.00 0.00 0.42 0.00 0.00 57.03 56.55 3a1z h ASP 172 Cb 0.76 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.81 3a1z h ASP 172 CO 0.00 1.00 -0.08 -1.54 -2.88 0.00 0.00 179.24 175.75 3a1z n SER 173 N -4.61 0.31 -3.35 2.28 3.41 -0.90 -5.13 113.62 105.62 3a1z n SER 173 Ca -0.11 -0.45 -0.30 0.00 -0.26 0.00 0.00 58.87 57.75 3a1z n SER 173 Cb 0.46 -0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.22 3a1z n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a1z n GLY 174 N 1.27 1.62 3.71 5.00 0.00 -0.36 -5.08 105.19 111.35 3a1z n GLY 174 Ca 0.15 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 3a1z n GLY 174 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a1z s GLU 183 N 5.56 1.70 0.43 1.61 8.01 -1.26 -5.03 118.70 129.71 3a1z s GLU 183 Ca 0.45 1.51 0.32 0.00 0.01 0.00 0.00 54.97 57.25 3a1z s GLU 183 Cb 0.10 -1.81 1.44 0.00 -4.31 0.00 0.00 34.13 29.56 3a1z s GLU 183 CO 0.16 -2.12 1.50 -0.35 0.01 0.00 0.00 175.26 174.46 3a1z n PRO 184 N -3.57 -0.03 0.00 0.39 -0.04 -1.26 -4.83 135.00 125.66 3a1z n PRO 184 Ca 0.12 1.20 0.00 0.00 -0.04 0.00 0.00 63.50 64.78 3a1z n PRO 184 Cb 0.52 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 3a1z n PRO 184 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3a1z n LEU 185 N -4.62 0.00 -0.12 1.53 4.77 -1.26 0.32 117.00 117.61 3a1z n LEU 185 Ca 0.39 0.36 -0.03 0.00 -0.03 0.00 0.00 56.01 56.70 3a1z n LEU 185 Cb 1.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.59 3a1z n LEU 185 CO 0.18 0.00 0.15 1.17 -1.33 0.00 0.00 177.39 177.56 3a1z n LYS 186 N -0.68 -0.12 0.07 3.23 4.81 -1.26 0.86 118.16 125.07 3a1z n LYS 186 Ca 0.00 0.45 0.02 0.00 -0.87 0.00 0.00 58.31 57.91 3a1z n LYS 186 Cb 0.00 -0.66 0.37 0.00 0.02 0.00 0.00 35.03 34.75 3a1z n LYS 186 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 3a1z h THR 187 N 0.00 1.17 0.04 3.15 2.02 -1.69 -0.87 112.91 116.73 3a1z h THR 187 Ca 0.06 -0.71 -0.23 0.00 0.77 0.00 0.00 66.41 66.30 3a1z h THR 187 Cb 0.13 1.05 0.02 0.00 -1.74 0.00 0.00 68.15 67.62 3a1z h THR 187 CO -0.28 0.23 -0.93 0.25 0.37 0.00 0.00 175.52 175.16 3a1z h LEU 188 N 0.34 0.75 -0.49 2.58 5.85 0.52 -1.75 115.31 123.10 3a1z h LEU 188 Ca 0.08 -0.78 -0.02 0.00 0.84 0.00 0.00 57.88 57.99 3a1z h LEU 188 Cb 0.31 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3a1z h LEU 188 CO 0.01 1.44 0.24 -0.09 -0.34 0.00 0.00 178.44 179.70 3a1z h ARG 189 N 0.14 0.71 -0.05 1.25 2.43 -0.68 -1.54 114.38 116.64 3a1z h ARG 189 Ca -0.13 -0.11 0.02 0.00 -0.81 0.00 0.00 59.98 58.96 3a1z h ARG 189 Cb 1.62 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 31.02 3a1z h ARG 189 CO 0.18 0.60 -0.09 0.37 -1.51 0.00 0.00 179.97 179.52 3a1z h GLN 190 N 0.65 -0.13 -0.49 0.20 4.15 -1.21 -2.73 115.11 115.55 3a1z h GLN 190 Ca 0.17 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.55 3a1z h GLN 190 Cb 0.12 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 3a1z h GLN 190 CO -0.02 -0.08 0.12 0.00 -1.93 0.00 0.00 178.83 176.91 3a1z h ALA 191 N 0.90 1.28 0.50 3.38 0.00 -0.87 -1.07 119.26 123.38 3a1z h ALA 191 Ca 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3a1z h ALA 191 Cb 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3a1z h ALA 191 CO -0.13 0.50 -0.24 0.00 0.00 0.00 0.00 179.25 179.38 3a1z h ALA 192 N 1.41 -0.67 -0.77 0.00 0.00 -1.15 -0.34 119.26 117.73 3a1z h ALA 192 Ca 0.16 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 55.07 3a1z h ALA 192 Cb 0.27 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 18.20 3a1z h ALA 192 CO -0.00 -0.80 0.18 0.82 0.00 0.00 0.00 179.25 179.45 3a1z h ILE 193 N -0.83 0.46 -0.53 0.00 1.08 -1.34 0.34 117.51 116.69 3a1z h ILE 193 Ca -0.07 -0.09 -0.06 0.00 -0.39 0.00 0.00 64.86 64.26 3a1z h ILE 193 Cb 0.58 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 34.50 3a1z h ILE 193 CO 0.11 0.05 0.10 0.00 -0.69 0.00 0.00 178.15 177.72 3a1z h LYS 195 N 0.76 0.44 -0.50 0.00 1.79 -0.21 0.11 116.57 118.96 3a1z h LYS 195 Ca 0.16 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.58 3a1z h LYS 195 Cb 0.38 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 3a1z h LYS 195 CO 0.01 0.29 0.19 0.82 -1.08 0.00 0.00 179.45 179.68 3a1z h ILE 196 N 0.45 1.21 -0.53 1.86 2.04 -0.72 -1.74 117.51 120.09 3a1z h ILE 196 Ca 0.15 -0.68 0.03 0.00 1.00 0.00 0.00 64.86 65.36 3a1z h ILE 196 Cb -0.00 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 3a1z h ILE 196 CO -0.06 0.25 0.31 0.00 0.00 0.00 0.00 178.15 178.65 3a1z h ALA 197 N 1.04 0.67 -0.45 1.87 0.00 -0.13 -0.91 119.26 121.36 3a1z h ALA 197 Ca 0.16 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.14 3a1z h ALA 197 Cb 0.21 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 3a1z h ALA 197 CO -0.01 0.02 0.07 1.49 0.00 0.00 0.00 179.25 180.81 3a1z h GLU 198 N 0.62 0.19 -0.86 0.00 4.81 -0.49 -0.61 114.58 118.24 3a1z h GLU 198 Ca 0.21 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3a1z h GLU 198 Cb 0.03 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 3a1z h GLU 198 CO -0.10 0.12 0.52 0.00 -0.73 0.00 0.00 179.01 178.82 3a1z h ALA 199 N 1.36 1.10 -0.66 2.92 0.00 -0.78 -0.75 119.26 122.44 3a1z h ALA 199 Ca 0.22 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.17 3a1z h ALA 199 Cb 0.30 -0.35 -0.10 0.00 0.00 0.00 0.00 17.79 17.64 3a1z h ALA 199 CO -0.31 0.56 0.15 0.00 0.00 0.00 0.00 179.25 179.65 3a1z h TYR 201 N 0.27 0.00 -0.85 0.00 0.05 -0.78 -1.53 116.97 114.13 3a1z h TYR 201 Ca 0.36 0.00 0.06 0.00 0.05 0.00 0.00 58.73 59.20 3a1z h TYR 201 Cb 0.57 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.25 3a1z h TYR 201 CO -0.25 0.37 0.53 0.82 -1.05 0.00 0.00 178.16 178.57 3a1z h ILE 202 N 0.00 1.04 -0.40 -2.88 2.04 -0.86 -1.50 117.51 114.96 3a1z h ILE 202 Ca -0.03 -0.33 -0.15 0.00 1.00 0.00 0.00 64.86 65.35 3a1z h ILE 202 Cb 1.31 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3a1z h ILE 202 CO 0.04 0.18 -0.34 0.28 0.00 0.00 0.00 178.15 178.31 3a1z h SER 203 N 0.96 0.96 0.09 1.72 0.02 -1.00 -1.64 113.55 114.66 3a1z h SER 203 Ca 0.37 -0.41 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3a1z h SER 203 Cb 0.16 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 3a1z h SER 203 CO -0.17 1.20 -0.06 0.58 -1.14 0.00 0.00 176.83 177.24 3a1z h VAL 204 N 0.76 0.87 0.00 2.27 2.07 -1.08 -2.76 116.25 118.37 3a1z h VAL 204 Ca 0.07 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.50 3a1z h VAL 204 Cb 0.92 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3a1z h VAL 204 CO 0.09 0.00 -0.42 0.58 0.02 0.00 0.00 177.57 177.83 3a1z h VAL 205 N -0.15 1.20 -0.85 2.57 2.07 -1.28 -0.04 116.25 119.78 3a1z h VAL 205 Ca -0.00 -1.49 0.10 0.00 0.82 0.00 0.00 66.70 66.12 3a1z h VAL 205 Cb 0.13 1.83 -0.08 0.00 -1.52 0.00 0.00 31.29 31.65 3a1z h VAL 205 CO 0.00 0.41 0.49 -0.74 0.02 0.00 0.00 177.57 177.75 3a1z h HIS 206 N 0.00 0.89 -0.08 1.57 6.17 -1.03 0.20 115.15 122.88 3a1z h HIS 206 Ca -0.00 0.03 -0.23 0.00 0.71 0.00 0.00 60.37 60.88 3a1z h HIS 206 Cb 0.79 -0.27 0.01 0.00 2.52 0.00 0.00 27.41 30.46 3a1z h HIS 206 CO 0.00 0.35 -0.87 -0.91 0.71 0.00 0.00 177.93 177.22 3a1z h ASN 207 N 0.81 0.80 0.45 3.26 2.35 -0.77 0.23 115.58 122.71 3a1z h ASN 207 Ca 0.41 -0.57 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 3a1z h ASN 207 Cb 0.39 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3a1z h ASN 207 CO -0.26 1.36 -0.34 0.40 -1.65 0.00 0.00 177.43 176.94 3a1z h ILE 208 N 0.41 0.30 -0.88 2.81 2.04 -1.04 0.14 117.51 121.30 3a1z h ILE 208 Ca -0.07 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.02 3a1z h ILE 208 Cb 1.50 0.30 -0.14 0.00 -0.74 0.00 0.00 36.82 37.73 3a1z h ILE 208 CO 0.17 0.00 0.28 -0.09 0.00 0.00 0.00 178.15 178.50 3a1z h ARG 209 N -0.78 0.24 -0.36 2.37 2.43 -0.50 -1.95 114.38 115.83 3a1z h ARG 209 Ca -0.04 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 58.96 3a1z h ARG 209 Cb 0.67 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 3a1z h ARG 209 CO 0.00 0.16 -0.36 0.00 -1.51 0.00 0.00 179.97 178.27 3a1z h ALA 210 N 1.76 0.53 -0.91 2.80 0.00 0.12 -2.95 119.26 120.61 3a1z h ALA 210 Ca 0.55 -0.44 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3a1z h ALA 210 Cb 1.10 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 3a1z h ALA 210 CO -0.62 0.61 0.58 0.66 0.00 0.00 0.00 179.25 180.48 3a1z h SER 211 N 0.68 0.91 -0.04 0.00 4.64 -0.12 0.98 113.55 120.60 3a1z h SER 211 Ca 0.06 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.40 3a1z h SER 211 Cb 0.95 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3a1z h SER 211 CO 0.09 0.58 0.16 0.00 -0.87 0.00 0.00 176.83 176.79 3a1z h ALA 212 N 1.42 1.29 0.00 5.18 0.00 -1.21 0.18 119.26 126.13 3a1z h ALA 212 Ca 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3a1z h ALA 212 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3a1z h ALA 212 CO -0.17 -0.18 -0.70 0.87 0.00 0.00 0.00 179.25 179.07 3a1z h LYS 213 N 0.00 0.00 -0.00 0.00 1.57 -0.72 -3.36 116.57 114.05 3a1z h LYS 213 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3a1z h LYS 213 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3a1z h LYS 213 CO -0.00 0.00 -0.58 -0.89 -0.57 0.00 0.00 179.45 177.41 3a1z n ILE 214 N -2.67 0.00 -3.77 1.86 2.08 0.62 -4.91 119.36 112.57 3a1z n ILE 214 Ca 0.02 -0.04 -0.13 0.00 0.56 0.00 0.00 62.75 63.16 3a1z n ILE 214 Cb 0.52 0.53 -0.12 0.00 -0.75 0.00 0.00 39.64 39.82 3a1z n ILE 214 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 3a1z s LEU 215 N -2.88 0.83 0.57 1.39 2.96 -1.04 -5.10 118.68 115.40 3a1z s LEU 215 Ca 0.13 0.50 -0.21 0.00 -0.22 0.00 0.00 54.13 54.33 3a1z s LEU 215 Cb 0.17 0.79 -0.04 0.00 0.50 0.00 0.00 46.19 47.61 3a1z s LEU 215 CO 0.70 -0.11 1.34 -2.84 -1.32 0.00 0.00 176.35 174.12 3a1z s PRO 216 N 0.56 3.01 0.30 0.98 0.02 -1.26 -4.70 135.00 133.91 3a1z s PRO 216 Ca -0.04 2.18 0.05 0.00 0.02 0.00 0.00 61.00 63.22 3a1z s PRO 216 Cb -0.05 -2.15 0.76 0.00 0.02 0.00 0.00 34.50 33.07 3a1z s PRO 216 CO -0.03 -1.28 1.72 0.00 -0.33 0.00 0.00 177.00 177.09 3a1z h ALA 217 N 1.24 1.55 -1.11 -1.55 0.00 0.28 0.29 119.26 119.97 3a1z h ALA 217 Ca -0.51 0.13 0.32 0.00 0.00 0.00 0.00 54.91 54.86 3a1z h ALA 217 Cb 1.31 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 3a1z h ALA 217 CO 0.56 -0.26 0.84 0.66 0.00 0.00 0.00 179.25 181.05 3a1z h SER 218 N 0.52 0.00 0.31 0.00 4.64 -1.88 -0.02 113.55 117.12 3a1z h SER 218 Ca 0.58 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.81 3a1z h SER 218 Cb 1.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 3a1z h SER 218 CO -0.48 0.00 -0.38 0.28 -0.87 0.00 0.00 176.83 175.38 3a1z h SER 219 N 0.00 0.10 0.44 4.97 0.02 -0.73 -3.13 113.55 115.22 3a1z h SER 219 Ca 0.53 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 3a1z h SER 219 Cb 2.20 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.71 3a1z h SER 219 CO -0.01 0.47 -0.49 0.49 -1.14 0.00 0.00 176.83 176.16 3a1z n PHE 220 N -4.07 0.00 -4.19 3.45 3.72 -0.02 -4.06 117.46 112.29 3a1z n PHE 220 Ca -0.02 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.27 3a1z n PHE 220 Cb 0.43 -0.22 -0.10 0.00 -0.94 0.00 0.00 39.48 38.65 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 -2.93 1.10 -2.08 1.38 0.40 -1.18 -2.99 117.98 111.68 3a1z s PHE 221 Ca 0.13 -1.35 0.31 0.00 -0.60 0.00 0.00 56.93 55.42 3a1z s PHE 221 Cb 0.18 -0.54 1.77 0.00 0.51 0.00 0.00 43.02 44.94 3a1z s PHE 221 CO 0.68 -0.62 2.15 -0.85 0.70 0.00 0.00 175.22 177.28