#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1w s MET 16 N 0.00 3.28 -0.03 -0.41 1.00 -1.26 -0.21 119.30 121.67 3a1w s MET 16 Ca 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 55.69 55.29 3a1w s MET 16 Cb 0.00 -2.99 0.02 0.00 0.00 0.00 0.00 34.83 31.86 3a1w s MET 16 CO 0.00 0.66 -0.02 0.08 0.00 0.00 0.00 175.02 175.74 3a1w s VAL 17 N -1.30 0.31 -0.24 -6.03 1.01 -0.18 -4.92 120.40 109.05 3a1w s VAL 17 Ca 0.26 -0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.13 3a1w s VAL 17 Cb -0.12 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 3a1w s VAL 17 CO 0.18 0.16 0.13 -0.75 0.00 0.00 0.00 175.10 174.82 3a1w s LYS 18 N 0.78 3.94 -0.11 2.72 2.47 -1.26 -0.71 119.74 127.57 3a1w s LYS 18 Ca -0.09 -0.34 0.00 0.00 -1.56 0.00 0.00 55.97 53.99 3a1w s LYS 18 Cb -0.12 -3.48 0.02 0.00 -1.46 0.00 0.00 37.83 32.80 3a1w s LYS 18 CO -0.01 -0.02 -0.10 0.08 0.16 0.00 0.00 175.35 175.46 3a1w s VAL 19 N 1.24 1.17 0.04 4.02 1.01 -0.18 0.06 120.40 127.76 3a1w s VAL 19 Ca 0.06 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.48 3a1w s VAL 19 Cb -0.14 -1.14 -0.06 0.00 0.00 0.00 0.00 36.38 35.03 3a1w s VAL 19 CO 0.05 0.39 0.48 0.00 0.00 0.00 0.00 175.10 176.02 3a1w s ALA 20 N 1.47 3.65 -0.31 5.51 0.00 -0.89 -1.25 121.76 129.94 3a1w s ALA 20 Ca 0.01 -0.11 -0.10 0.00 0.00 0.00 0.00 51.96 51.76 3a1w s ALA 20 Cb -0.13 -2.50 -0.02 0.00 0.00 0.00 0.00 23.12 20.47 3a1w s ALA 20 CO -0.07 0.45 0.17 -0.51 0.00 0.00 0.00 175.76 175.80 3a1w s LEU 21 N -1.11 4.14 0.26 0.00 1.43 0.15 -0.70 118.68 122.84 3a1w s LEU 21 Ca 0.26 -0.38 0.10 0.00 -1.03 0.00 0.00 54.13 53.09 3a1w s LEU 21 Cb -0.18 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 3a1w s LEU 21 CO 0.16 -0.17 -0.10 0.00 0.23 0.00 0.00 176.35 176.47 3a1w s ALA 22 N 1.67 2.95 0.00 4.21 0.00 -0.25 -1.22 121.76 129.12 3a1w s ALA 22 Ca 0.06 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.30 3a1w s ALA 22 Cb -0.17 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.40 3a1w s ALA 22 CO 0.08 0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.55 3a1w n GLY 23 N -0.62 1.47 3.73 0.00 0.00 -1.26 -0.54 105.19 107.97 3a1w n GLY 23 Ca -0.07 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 3a1w n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1w n PRO 25 N -3.79 1.53 -3.35 0.00 -0.02 -1.26 -3.84 135.00 124.28 3a1w n PRO 25 Ca 0.08 0.55 -0.16 0.00 -2.02 0.00 0.00 63.50 61.95 3a1w n PRO 25 Cb 0.54 -2.21 0.08 0.00 -0.02 0.00 0.00 33.50 31.89 3a1w n PRO 25 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3a1w n ASN 26 N 0.16 -2.27 -0.02 2.55 3.02 -1.26 -4.92 115.26 112.51 3a1w n ASN 26 Ca 0.09 -0.59 0.03 0.00 -0.03 0.00 0.00 54.58 54.07 3a1w n ASN 26 Cb 0.40 -4.89 0.04 0.00 -0.61 0.00 0.00 39.78 34.72 3a1w n ASN 26 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3a1w n VAL 27 N -3.92 1.20 -0.81 2.41 0.24 -1.25 -4.96 118.33 111.22 3a1w n VAL 27 Ca -0.26 -1.30 0.00 0.00 -2.04 0.00 0.00 64.34 60.74 3a1w n VAL 27 Cb 0.66 0.32 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 3a1w n VAL 27 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a1w n GLY 28 N -0.73 0.52 0.24 7.63 0.00 -1.26 -4.56 105.19 107.02 3a1w n GLY 28 Ca 0.04 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 3a1w n GLY 28 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3a1w h LYS 29 N 0.00 0.79 -0.38 1.61 3.64 -1.93 -1.57 116.57 118.72 3a1w h LYS 29 Ca 0.00 -0.28 -0.04 0.00 -1.27 0.00 0.00 60.65 59.07 3a1w h LYS 29 Cb 0.02 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3a1w h LYS 29 CO 0.00 0.88 0.10 1.15 -2.27 0.00 0.00 179.45 179.31 3a1w h THR 30 N 0.62 1.23 -0.74 1.00 2.02 -1.99 -0.69 112.91 114.36 3a1w h THR 30 Ca 0.12 -0.77 0.06 0.00 0.77 0.00 0.00 66.41 66.59 3a1w h THR 30 Cb 0.56 1.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.91 3a1w h THR 30 CO 0.03 0.26 0.44 0.28 0.37 0.00 0.00 175.52 176.90 3a1w h SER 31 N 0.47 0.67 -0.30 4.18 0.02 -1.96 0.08 113.55 116.72 3a1w h SER 31 Ca 0.12 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 3a1w h SER 31 Cb 0.30 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3a1w h SER 31 CO 0.00 0.43 -0.04 0.25 -1.14 0.00 0.00 176.83 176.33 3a1w h LEU 32 N 0.80 0.56 -0.51 5.07 5.85 -1.08 -1.16 115.31 124.84 3a1w h LEU 32 Ca 0.33 -0.34 0.08 0.00 0.84 0.00 0.00 57.88 58.79 3a1w h LEU 32 Cb 0.17 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 3a1w h LEU 32 CO -0.17 0.77 0.13 0.15 -0.34 0.00 0.00 178.44 178.98 3a1w h PHE 33 N 0.33 0.22 -0.56 1.25 3.04 -0.74 -1.16 116.94 119.33 3a1w h PHE 33 Ca 0.08 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.98 3a1w h PHE 33 Cb 0.51 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.98 3a1w h PHE 33 CO 0.05 0.03 0.05 -0.91 -2.02 0.00 0.00 178.31 175.50 3a1w h ASN 34 N 0.28 0.90 0.13 0.41 2.35 -0.83 -1.47 115.58 117.35 3a1w h ASN 34 Ca 0.26 -0.21 -0.11 0.00 -0.55 0.00 0.00 56.30 55.68 3a1w h ASN 34 Cb 0.33 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 3a1w h ASN 34 CO -0.31 0.93 -0.40 0.00 -1.65 0.00 0.00 177.43 176.00 3a1w h ALA 35 N 1.17 1.04 0.08 -0.83 0.00 -0.77 0.02 119.26 119.97 3a1w h ALA 35 Ca 0.17 -0.41 -0.27 0.00 0.00 0.00 0.00 54.91 54.39 3a1w h ALA 35 Cb 0.45 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.16 3a1w h ALA 35 CO 0.02 0.60 -1.15 -0.07 0.00 0.00 0.00 179.25 178.65 3a1w h LEU 36 N 0.29 0.73 0.00 0.00 3.38 -1.02 -3.38 115.31 115.32 3a1w h LEU 36 Ca 0.03 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.34 3a1w h LEU 36 Cb 0.83 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3a1w h LEU 36 CO 0.07 1.47 -1.76 0.35 0.09 0.00 0.00 178.44 178.66 3a1w n THR 37 N -3.75 0.00 -1.67 0.22 -2.24 -0.57 -4.71 114.28 101.56 3a1w n THR 37 Ca -0.11 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3a1w n THR 37 Cb 0.94 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 3a1w n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a1w n GLY 38 N 1.33 3.39 0.19 3.38 0.00 -0.01 -1.12 105.19 112.35 3a1w n GLY 38 Ca -0.02 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.94 3a1w n GLY 38 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a1w n THR 39 N 0.00 0.00 -1.30 2.61 -2.24 -1.26 -4.52 114.28 107.56 3a1w n THR 39 Ca 0.00 -0.10 -0.37 0.00 -2.27 0.00 0.00 64.05 61.31 3a1w n THR 39 Cb 0.00 0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.30 3a1w n THR 39 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3a1w n LYS 40 N -0.72 2.95 -3.61 -0.78 4.81 -0.27 -4.79 118.16 115.75 3a1w n LYS 40 Ca 0.15 -2.14 -0.11 0.00 -0.87 0.00 0.00 58.31 55.35 3a1w n LYS 40 Cb 0.30 -2.88 -0.04 0.00 0.02 0.00 0.00 35.03 32.43 3a1w n LYS 40 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 3a1w s GLN 41 N 2.97 1.13 0.08 1.64 -2.07 -1.26 -1.74 119.66 120.41 3a1w s GLN 41 Ca 0.57 -0.69 -0.14 0.00 -1.82 0.00 0.00 55.36 53.28 3a1w s GLN 41 Cb 0.15 0.49 0.02 0.00 -1.09 0.00 0.00 33.01 32.58 3a1w s GLN 41 CO -0.04 -0.46 0.32 1.52 -1.32 0.00 0.00 175.29 175.31 3a1w s TYR 42 N -3.80 -0.09 -0.10 9.60 1.13 -0.53 -5.00 117.35 118.56 3a1w s TYR 42 Ca 0.03 -0.14 -0.01 0.00 -1.41 0.00 0.00 57.07 55.54 3a1w s TYR 42 Cb 0.01 0.12 -0.03 0.00 -1.10 0.00 0.00 41.96 40.96 3a1w s TYR 42 CO -0.11 -0.57 -0.03 0.14 -2.51 0.00 0.00 175.55 172.47 3a1w s VAL 43 N -3.17 4.04 0.00 -3.49 -7.23 -1.26 -2.52 120.40 106.77 3a1w s VAL 43 Ca -0.01 -0.34 0.00 0.00 -1.81 0.00 0.00 61.98 59.82 3a1w s VAL 43 Cb 0.01 -2.70 0.00 0.00 0.56 0.00 0.00 36.38 34.25 3a1w s VAL 43 CO -0.07 0.58 0.00 0.00 -0.31 0.00 0.00 175.10 175.30 3a1w n ALA 44 N 2.46 0.00 -2.70 1.32 0.00 -0.21 -4.96 120.51 116.41 3a1w n ALA 44 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.93 3a1w n ALA 44 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 3a1w n ALA 44 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3a1w s ASN 45 N -0.71 5.24 0.53 0.00 0.01 -1.26 0.12 114.94 118.86 3a1w s ASN 45 Ca 0.00 0.02 -0.22 0.00 -0.71 0.00 0.00 52.86 51.95 3a1w s ASN 45 Cb 0.00 -1.40 -0.05 0.00 0.41 0.00 0.00 41.25 40.21 3a1w s ASN 45 CO 0.00 0.28 1.35 0.26 -1.51 0.00 0.00 177.10 177.47 3a1w s TRP 46 N -1.11 2.36 0.08 2.20 0.52 0.82 -4.75 118.94 119.06 3a1w s TRP 46 Ca 0.20 1.38 -0.36 0.00 0.02 0.00 0.00 56.10 57.34 3a1w s TRP 46 Cb -0.12 -3.78 -0.15 0.00 -1.15 0.00 0.00 33.47 28.27 3a1w s TRP 46 CO 0.11 -2.77 1.47 -2.30 0.02 0.00 0.00 176.95 173.48 3a1w n PRO 47 N -0.87 1.54 -0.86 4.98 -0.02 -1.26 -2.23 135.00 136.27 3a1w n PRO 47 Ca 0.09 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3a1w n PRO 47 Cb 0.45 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3a1w n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a1w n GLY 48 N 3.02 0.51 3.37 -1.23 0.00 -1.26 -4.96 105.19 104.64 3a1w n GLY 48 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 3a1w n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3a1w s VAL 49 N -2.44 0.60 -2.10 1.61 -7.23 -0.95 -5.04 120.40 104.86 3a1w s VAL 49 Ca 0.00 -2.00 0.26 0.00 -1.81 0.00 0.00 61.98 58.43 3a1w s VAL 49 Cb 0.00 -2.59 0.31 0.00 0.56 0.00 0.00 36.38 34.66 3a1w s VAL 49 CO 0.00 0.00 1.54 1.07 -0.31 0.00 0.00 175.10 177.40 3a1w n THR 50 N -0.59 0.00 -2.25 5.32 5.66 -1.26 -4.36 114.28 116.80 3a1w n THR 50 Ca -0.01 -0.21 -0.42 0.00 -3.05 0.00 0.00 64.05 60.36 3a1w n THR 50 Cb 0.66 0.61 -0.03 0.00 -1.55 0.00 0.00 70.33 70.02 3a1w n THR 50 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3a1w s VAL 51 N -2.32 3.77 0.33 1.08 1.01 -1.26 -4.87 120.40 118.14 3a1w s VAL 51 Ca 0.28 1.15 -0.28 0.00 0.00 0.00 0.00 61.98 63.13 3a1w s VAL 51 Cb 0.20 -3.74 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 3a1w s VAL 51 CO 0.46 0.00 1.21 -0.70 0.00 0.00 0.00 175.10 176.07 3a1w s GLU 52 N 2.34 4.38 -0.12 2.72 2.12 -1.26 -0.13 118.70 128.75 3a1w s GLU 52 Ca 0.63 2.00 0.03 0.00 0.36 0.00 0.00 54.97 57.99 3a1w s GLU 52 Cb -0.31 -3.02 0.01 0.00 0.26 0.00 0.00 34.13 31.07 3a1w s GLU 52 CO 0.26 -0.09 -0.23 0.21 -0.54 0.00 0.00 175.26 174.87 3a1w s LYS 53 N -1.80 3.01 -0.15 4.30 2.20 0.32 -4.71 119.74 122.93 3a1w s LYS 53 Ca 0.49 -0.86 -0.07 0.00 -0.36 0.00 0.00 55.97 55.18 3a1w s LYS 53 Cb -0.35 -2.36 -0.04 0.00 -1.51 0.00 0.00 37.83 33.57 3a1w s LYS 53 CO 0.46 0.07 0.08 0.15 -0.36 0.00 0.00 175.35 175.75 3a1w s LYS 54 N 0.61 3.65 0.00 4.03 1.02 -1.26 -1.05 119.74 126.74 3a1w s LYS 54 Ca -0.12 -0.28 -0.04 0.00 0.02 0.00 0.00 55.97 55.55 3a1w s LYS 54 Cb -0.17 -3.15 -0.00 0.00 -0.52 0.00 0.00 37.83 33.99 3a1w s LYS 54 CO 0.03 0.51 0.08 -2.00 -0.92 0.00 0.00 175.35 173.05 3a1w s GLU 55 N -0.30 0.37 0.19 1.68 2.12 -1.05 -1.85 118.70 119.86 3a1w s GLU 55 Ca 0.09 -0.38 -0.06 0.00 0.36 0.00 0.00 54.97 54.98 3a1w s GLU 55 Cb -0.12 0.15 0.02 0.00 0.26 0.00 0.00 34.13 34.44 3a1w s GLU 55 CO 0.01 -0.08 0.35 0.41 -0.54 0.00 0.00 175.26 175.42 3a1w n GLY 56 N 1.75 1.72 2.97 -1.50 0.00 -0.36 -1.45 105.19 108.32 3a1w n GLY 56 Ca -0.21 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.49 3a1w n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a1w s VAL 57 N -2.58 0.01 0.14 1.61 1.01 -0.71 -1.00 120.40 118.88 3a1w s VAL 57 Ca 0.09 -0.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 3a1w s VAL 57 Cb -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.20 3a1w s VAL 57 CO 0.07 -0.07 0.22 0.72 0.00 0.00 0.00 175.10 176.03 3a1w s PHE 58 N -0.18 0.41 -0.00 5.22 -0.12 -0.70 -4.75 117.98 117.86 3a1w s PHE 58 Ca -0.02 -0.79 0.07 0.00 -0.05 0.00 0.00 56.93 56.13 3a1w s PHE 58 Cb -0.02 -0.13 -0.03 0.00 -0.63 0.00 0.00 43.02 42.22 3a1w s PHE 58 CO 0.00 -0.63 -0.20 0.99 -0.05 0.00 0.00 175.22 175.33 3a1w s THR 59 N -3.95 2.59 -0.16 -4.49 2.01 -1.26 -0.02 115.64 110.36 3a1w s THR 59 Ca 0.15 -1.05 -0.04 0.00 0.31 0.00 0.00 61.69 61.06 3a1w s THR 59 Cb 0.04 -2.00 0.08 0.00 0.01 0.00 0.00 72.50 70.63 3a1w s THR 59 CO -0.03 0.49 0.23 -0.47 -0.69 0.00 0.00 174.62 174.15 3a1w s TYR 60 N -0.76 -0.33 -1.45 4.92 5.04 0.19 -4.94 117.35 120.02 3a1w s TYR 60 Ca 0.12 0.58 -0.06 0.00 -2.44 0.00 0.00 57.07 55.28 3a1w s TYR 60 Cb -0.10 -0.21 0.04 0.00 0.35 0.00 0.00 41.96 42.03 3a1w s TYR 60 CO 0.02 -0.46 0.68 1.63 -1.34 0.00 0.00 175.55 176.08 3a1w n LYS 61 N 5.33 -4.29 -0.02 4.97 5.02 -1.26 -1.18 118.16 126.72 3a1w n LYS 61 Ca -0.05 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 3a1w n LYS 61 Cb 0.50 -5.03 0.00 0.00 -0.02 0.00 0.00 35.03 30.48 3a1w n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a1w n GLY 62 N -1.72 1.76 3.80 0.72 0.00 -1.26 -5.03 105.19 103.47 3a1w n GLY 62 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 3a1w n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a1w s TYR 63 N -2.62 3.57 -0.26 1.61 1.51 -0.33 -2.79 117.35 118.04 3a1w s TYR 63 Ca 0.00 0.66 -0.10 0.00 -1.01 0.00 0.00 57.07 56.62 3a1w s TYR 63 Cb 0.00 -2.19 -0.05 0.00 -0.11 0.00 0.00 41.96 39.61 3a1w s TYR 63 CO 0.00 0.50 0.15 0.99 -1.11 0.00 0.00 175.55 176.09 3a1w s THR 64 N -0.41 5.09 -0.21 -0.71 2.01 0.71 -0.64 115.64 121.48 3a1w s THR 64 Ca 0.17 0.09 -0.04 0.00 0.31 0.00 0.00 61.69 62.23 3a1w s THR 64 Cb -0.14 -3.40 -0.01 0.00 0.01 0.00 0.00 72.50 68.96 3a1w s THR 64 CO 0.06 0.30 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.62 3a1w s ILE 65 N 1.51 3.49 -0.42 1.82 1.09 0.98 -1.01 121.20 128.65 3a1w s ILE 65 Ca 0.07 -0.46 -0.18 0.00 -1.10 0.00 0.00 60.65 58.97 3a1w s ILE 65 Cb -0.15 -2.58 0.02 0.00 -1.06 0.00 0.00 42.46 38.69 3a1w s ILE 65 CO 0.08 0.43 0.49 0.21 -0.10 0.00 0.00 174.94 176.05 3a1w s ASN 66 N 1.29 6.23 -0.26 3.58 3.04 0.11 -1.71 114.94 127.22 3a1w s ASN 66 Ca 0.04 -0.58 -0.12 0.00 0.04 0.00 0.00 52.86 52.24 3a1w s ASN 66 Cb -0.14 -2.25 -0.05 0.00 -1.54 0.00 0.00 41.25 37.27 3a1w s ASN 66 CO -0.01 -0.63 0.21 -0.22 -3.04 0.00 0.00 177.10 173.40 3a1w s LEU 67 N 2.33 4.07 -0.17 3.21 2.96 -0.17 -1.01 118.68 129.90 3a1w s LEU 67 Ca 0.15 0.11 -0.00 0.00 -0.22 0.00 0.00 54.13 54.16 3a1w s LEU 67 Cb -0.16 -2.17 -0.00 0.00 0.50 0.00 0.00 46.19 44.35 3a1w s LEU 67 CO 0.15 -0.02 -0.13 -0.51 -1.32 0.00 0.00 176.35 174.52 3a1w s ILE 68 N 1.48 2.78 -0.27 6.68 2.07 -0.38 -1.22 121.20 132.33 3a1w s ILE 68 Ca 0.09 -0.72 -0.24 0.00 -1.41 0.00 0.00 60.65 58.37 3a1w s ILE 68 Cb -0.15 -2.19 -0.00 0.00 0.13 0.00 0.00 42.46 40.25 3a1w s ILE 68 CO 0.08 0.50 0.80 -0.62 -1.91 0.00 0.00 174.94 173.79 3a1w s ASP 69 N 0.93 6.74 0.31 4.50 2.15 -0.77 -0.68 116.67 129.85 3a1w s ASP 69 Ca -0.03 0.84 -0.13 0.00 0.43 0.00 0.00 52.55 53.66 3a1w s ASP 69 Cb -0.15 -2.42 -0.08 0.00 -0.30 0.00 0.00 42.92 39.97 3a1w s ASP 69 CO -0.01 -0.56 0.70 -0.76 -0.17 0.00 0.00 175.17 174.37 3a1w s LEU 70 N 2.89 4.06 0.62 -1.34 1.43 -0.36 -4.42 118.68 121.56 3a1w s LEU 70 Ca 0.33 1.20 -0.18 0.00 -1.03 0.00 0.00 54.13 54.45 3a1w s LEU 70 Cb -0.15 -4.00 -0.04 0.00 0.03 0.00 0.00 46.19 42.03 3a1w s LEU 70 CO 0.10 -0.20 0.91 -2.65 0.23 0.00 0.00 176.35 174.74 3a1w n PRO 71 N -0.43 0.78 -2.08 1.29 -0.02 -1.26 -4.79 135.00 128.49 3a1w n PRO 71 Ca 0.03 0.31 -0.41 0.00 -2.02 0.00 0.00 63.50 61.41 3a1w n PRO 71 Cb 0.53 -2.12 -0.02 0.00 -0.02 0.00 0.00 33.50 31.87 3a1w n PRO 71 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3a1w s GLY 72 N -1.31 2.81 -0.09 -1.23 0.00 -1.26 -4.67 107.32 101.58 3a1w s GLY 72 Ca 0.76 1.28 -0.04 0.00 0.00 0.00 0.00 44.72 46.72 3a1w s GLY 72 CO 0.48 2.02 0.20 -0.51 0.00 0.00 0.00 173.10 175.29 3a1w s THR 73 N -0.80 -0.14 0.18 0.90 -4.23 -0.32 -4.68 115.64 106.55 3a1w s THR 73 Ca 0.52 0.22 0.07 0.00 -1.18 0.00 0.00 61.69 61.32 3a1w s THR 73 Cb -0.40 -0.32 -0.14 0.00 1.34 0.00 0.00 72.50 72.98 3a1w s THR 73 CO 0.50 0.09 1.41 1.88 -0.54 0.00 0.00 174.62 177.97 3a1w h TYR 74 N 7.61 0.05 -2.53 3.99 0.05 -1.95 -3.29 116.97 120.90 3a1w h TYR 74 Ca -0.32 -0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.33 3a1w h TYR 74 Cb 1.14 -0.01 -0.22 0.00 1.01 0.00 0.00 36.73 38.65 3a1w h TYR 74 CO 0.40 0.86 -0.10 0.45 -1.05 0.00 0.00 178.16 178.72 3a1w s SER 75 N -6.80 -0.48 0.31 3.88 0.15 -1.26 -4.53 113.70 104.97 3a1w s SER 75 Ca -0.00 0.80 0.26 0.00 0.70 0.00 0.00 55.95 57.70 3a1w s SER 75 Cb 0.11 0.82 0.94 0.00 -1.71 0.00 0.00 66.02 66.18 3a1w s SER 75 CO 0.80 -0.30 1.77 -0.07 1.20 0.00 0.00 173.24 176.64 3a1w h LEU 76 N 4.69 0.00 0.00 3.45 3.38 -1.89 -3.25 115.31 121.69 3a1w h LEU 76 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3a1w h LEU 76 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3a1w h LEU 76 CO 0.26 0.00 -0.32 0.61 0.09 0.00 0.00 178.44 179.08 3a1w n GLY 77 N 0.47 -1.43 3.55 0.83 0.00 -1.26 -4.69 105.19 102.66 3a1w n GLY 77 Ca 0.03 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 3a1w n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a1w s TYR 78 N -3.06 1.54 -1.63 1.61 4.12 -1.23 -4.98 117.35 113.73 3a1w s TYR 78 Ca 0.11 1.22 0.22 0.00 0.02 0.00 0.00 57.07 58.64 3a1w s TYR 78 Cb 0.16 -3.15 -0.09 0.00 -1.52 0.00 0.00 41.96 37.36 3a1w s TYR 78 CO 0.64 -3.54 1.02 -1.13 0.02 0.00 0.00 175.55 172.56 3a1w n SER 79 N -4.69 1.62 -4.73 2.29 3.41 -1.26 -4.53 113.62 105.74 3a1w n SER 79 Ca 0.04 -1.31 -0.29 0.00 -0.26 0.00 0.00 58.87 57.05 3a1w n SER 79 Cb 0.54 0.68 0.14 0.00 -0.26 0.00 0.00 64.21 65.31 3a1w n SER 79 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3a1w s SER 80 N -2.68 3.35 0.26 4.04 1.04 -1.26 -4.86 113.70 113.59 3a1w s SER 80 Ca 0.14 1.30 0.00 0.00 0.48 0.00 0.00 55.95 57.88 3a1w s SER 80 Cb 0.17 -1.98 0.34 0.00 0.10 0.00 0.00 66.02 64.66 3a1w s SER 80 CO 0.69 -2.69 1.70 -0.29 0.98 0.00 0.00 173.24 173.62 3a1w h ILE 81 N -1.59 1.27 -0.37 -1.02 6.09 -1.99 -2.58 117.51 117.31 3a1w h ILE 81 Ca -0.51 -1.29 0.04 0.00 -1.37 0.00 0.00 64.86 61.73 3a1w h ILE 81 Cb 1.30 1.30 -0.04 0.00 0.47 0.00 0.00 36.82 39.86 3a1w h ILE 81 CO 0.57 0.41 0.15 0.44 -3.07 0.00 0.00 178.15 176.65 3a1w h ASP 82 N 0.50 0.18 0.13 2.19 3.32 -1.93 -0.33 116.42 120.49 3a1w h ASP 82 Ca 0.07 0.03 -0.16 0.00 0.02 0.00 0.00 57.03 56.99 3a1w h ASP 82 Cb 0.68 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 3a1w h ASP 82 CO 0.05 0.14 -0.61 -0.33 -1.72 0.00 0.00 179.24 176.78 3a1w h GLU 83 N 0.31 0.47 -0.58 3.56 3.07 -1.83 -2.47 114.58 117.11 3a1w h GLU 83 Ca 0.17 -0.32 -0.02 0.00 -0.50 0.00 0.00 59.36 58.69 3a1w h GLU 83 Cb 0.12 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 3a1w h GLU 83 CO -0.15 0.93 0.30 0.87 -1.40 0.00 0.00 179.01 179.56 3a1w h LYS 84 N 0.35 0.83 -0.14 2.33 1.57 -1.15 0.98 116.57 121.34 3a1w h LYS 84 Ca -0.01 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3a1w h LYS 84 Cb 1.15 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 3a1w h LYS 84 CO 0.11 0.65 0.01 0.82 -0.57 0.00 0.00 179.45 180.47 3a1w h ILE 85 N 0.79 0.92 -0.30 1.86 2.04 -0.99 -0.12 117.51 121.71 3a1w h ILE 85 Ca 0.20 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.96 3a1w h ILE 85 Cb 0.08 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3a1w h ILE 85 CO -0.03 0.01 -0.11 0.00 0.00 0.00 0.00 178.15 178.02 3a1w h ALA 86 N 1.11 0.42 0.19 1.87 0.00 -1.19 -1.58 119.26 120.09 3a1w h ALA 86 Ca 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3a1w h ALA 86 Cb 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3a1w h ALA 86 CO -0.10 0.29 -0.09 -0.09 0.00 0.00 0.00 179.25 179.26 3a1w h ARG 87 N 0.37 -0.25 -0.50 0.00 2.43 -0.76 -1.40 114.38 114.28 3a1w h ARG 87 Ca 0.07 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.31 3a1w h ARG 87 Cb 0.62 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.18 3a1w h ARG 87 CO 0.04 -0.15 0.24 -0.44 -1.51 0.00 0.00 179.97 178.15 3a1w h ASP 88 N -0.27 0.33 -0.84 -3.80 3.32 -0.98 0.28 116.42 114.45 3a1w h ASP 88 Ca -0.03 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3a1w h ASP 88 Cb 0.21 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 3a1w h ASP 88 CO 0.04 0.23 0.41 0.22 -1.72 0.00 0.00 179.24 178.42 3a1w h TYR 89 N 0.47 1.21 -0.10 4.55 3.20 -1.12 -1.07 116.97 124.11 3a1w h TYR 89 Ca 0.23 -0.06 -0.16 0.00 3.14 0.00 0.00 58.73 61.88 3a1w h TYR 89 Cb 0.16 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 3a1w h TYR 89 CO -0.11 0.87 -0.62 -0.07 -1.64 0.00 0.00 178.16 176.58 3a1w h LEU 90 N 1.20 0.41 0.15 2.82 3.38 -0.69 -3.25 115.31 119.32 3a1w h LEU 90 Ca 0.29 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3a1w h LEU 90 Cb 0.11 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3a1w h LEU 90 CO -0.04 0.93 -0.07 -0.07 0.09 0.00 0.00 178.44 179.28 3a1w h LEU 91 N 0.26 -0.17 -7.67 1.67 3.38 -0.60 -3.29 115.31 108.89 3a1w h LEU 91 Ca -0.01 -0.20 -0.48 0.00 0.09 0.00 0.00 57.88 57.28 3a1w h LEU 91 Cb 1.15 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 3a1w h LEU 91 CO 0.10 0.11 1.61 1.17 0.09 0.00 0.00 178.44 181.53 3a1w n LYS 92 N -5.06 2.06 -0.04 1.13 4.81 -0.44 -4.87 118.16 115.76 3a1w n LYS 92 Ca -0.09 -2.61 0.00 0.00 -0.87 0.00 0.00 58.31 54.74 3a1w n LYS 92 Cb 0.20 -3.55 0.00 0.00 0.02 0.00 0.00 35.03 31.69 3a1w n LYS 92 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a1w n GLY 93 N 5.45 1.37 0.23 3.14 0.00 -1.24 -4.52 105.19 109.62 3a1w n GLY 93 Ca 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.46 3a1w n GLY 93 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3a1w h ASP 94 N 7.28 0.43 -3.89 1.61 3.32 -1.89 -3.43 116.42 119.84 3a1w h ASP 94 Ca 0.00 -0.15 -0.52 0.00 0.02 0.00 0.00 57.03 56.37 3a1w h ASP 94 Cb 0.00 -0.12 0.07 0.00 0.22 0.00 0.00 39.33 39.50 3a1w h ASP 94 CO 0.81 0.71 0.64 0.00 -1.72 0.00 0.00 179.24 179.68 3a1w s ALA 95 N -4.41 3.47 -0.01 3.45 0.00 -1.26 -4.82 121.76 118.18 3a1w s ALA 95 Ca -0.06 1.27 0.12 0.00 0.00 0.00 0.00 51.96 53.29 3a1w s ALA 95 Cb 0.14 -3.49 0.04 0.00 0.00 0.00 0.00 23.12 19.81 3a1w s ALA 95 CO 0.79 -0.69 1.42 -0.44 0.00 0.00 0.00 175.76 176.84 3a1w h ASP 96 N 3.26 0.00 -5.11 0.00 3.32 -0.66 -3.48 116.42 113.74 3a1w h ASP 96 Ca -0.49 0.00 0.11 0.00 0.02 0.00 0.00 57.03 56.67 3a1w h ASP 96 Cb 1.23 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.72 3a1w h ASP 96 CO 0.65 0.67 0.32 -1.48 -1.72 0.00 0.00 179.24 177.68 3a1w s LEU 97 N -6.66 -0.23 -0.04 1.55 2.34 -1.18 -4.87 118.68 109.58 3a1w s LEU 97 Ca 0.02 -0.53 0.04 0.00 0.06 0.00 0.00 54.13 53.73 3a1w s LEU 97 Cb 0.09 2.52 -0.00 0.00 -0.56 0.00 0.00 46.19 48.24 3a1w s LEU 97 CO 0.77 -1.18 -0.18 -0.69 -1.06 0.00 0.00 176.35 174.01 3a1w s VAL 98 N -3.69 1.47 -0.30 1.48 1.01 -0.22 -2.10 120.40 118.05 3a1w s VAL 98 Ca 0.11 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 3a1w s VAL 98 Cb -0.04 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 3a1w s VAL 98 CO 0.05 0.42 0.15 -0.63 0.00 0.00 0.00 175.10 175.09 3a1w s ILE 99 N -0.01 4.67 -0.29 2.22 1.01 0.12 -0.95 121.20 127.97 3a1w s ILE 99 Ca -0.03 -0.29 -0.17 0.00 0.00 0.00 0.00 60.65 60.16 3a1w s ILE 99 Cb -0.11 -3.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 3a1w s ILE 99 CO 0.02 0.14 0.47 -0.22 0.00 0.00 0.00 174.94 175.34 3a1w s LEU 100 N 1.64 4.15 -0.11 2.97 2.96 0.64 -1.09 118.68 129.84 3a1w s LEU 100 Ca 0.05 0.26 -0.21 0.00 -0.22 0.00 0.00 54.13 54.00 3a1w s LEU 100 Cb -0.17 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 3a1w s LEU 100 CO 0.07 -0.32 0.63 -0.69 -1.32 0.00 0.00 176.35 174.71 3a1w s VAL 101 N 2.25 5.08 -0.00 1.68 1.01 0.30 -0.53 120.40 130.19 3a1w s VAL 101 Ca 0.18 1.26 0.03 0.00 0.00 0.00 0.00 61.98 63.45 3a1w s VAL 101 Cb -0.16 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 3a1w s VAL 101 CO 0.11 0.24 -0.09 0.00 0.00 0.00 0.00 175.10 175.36 3a1w s ALA 102 N 0.99 0.74 -0.09 5.51 0.00 0.02 -4.44 121.76 124.49 3a1w s ALA 102 Ca 0.33 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.57 3a1w s ALA 102 Cb -0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 3a1w s ALA 102 CO 0.14 0.17 1.09 0.34 0.00 0.00 0.00 175.76 177.50 3a1w s ASP 103 N -0.32 7.17 0.24 0.00 2.15 -1.26 -0.78 116.67 123.87 3a1w s ASP 103 Ca 0.03 1.65 0.08 0.00 0.43 0.00 0.00 52.55 54.73 3a1w s ASP 103 Cb -0.04 -2.56 0.25 0.00 -0.30 0.00 0.00 42.92 40.27 3a1w s ASP 103 CO -0.00 -0.50 1.55 0.28 -0.17 0.00 0.00 175.17 176.32 3a1w h SER 104 N 7.24 0.09 -0.16 -0.34 0.02 -1.70 -3.07 113.55 115.64 3a1w h SER 104 Ca -0.32 -0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 60.46 3a1w h SER 104 Cb 1.15 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.67 3a1w h SER 104 CO 0.87 0.73 -0.34 0.58 -1.14 0.00 0.00 176.83 177.53 3a1w h VAL 105 N 0.05 1.35 -2.62 2.27 2.07 -1.82 -3.39 116.25 114.17 3a1w h VAL 105 Ca -0.01 -1.60 -0.60 0.00 0.82 0.00 0.00 66.70 65.31 3a1w h VAL 105 Cb 1.19 1.97 -0.39 0.00 -1.52 0.00 0.00 31.29 32.54 3a1w h VAL 105 CO 0.09 0.48 -0.83 0.59 0.02 0.00 0.00 177.57 177.93 3a1w n ASN 106 N -4.33 0.82 -0.00 0.57 3.02 -1.24 -4.98 115.26 109.11 3a1w n ASN 106 Ca -0.06 -2.69 0.14 0.00 -0.03 0.00 0.00 54.58 51.94 3a1w n ASN 106 Cb 0.50 -0.63 0.61 0.00 -0.61 0.00 0.00 39.78 39.66 3a1w n ASN 106 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3a1w n PRO 107 N 2.49 0.09 -0.13 3.52 -0.04 -1.16 -4.31 135.00 135.46 3a1w n PRO 107 Ca 0.26 -0.01 -0.06 0.00 -0.04 0.00 0.00 63.50 63.66 3a1w n PRO 107 Cb 0.43 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.40 3a1w n PRO 107 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3a1w h GLU 108 N 0.02 -0.16 -0.41 0.54 4.81 -1.94 0.36 114.58 117.80 3a1w h GLU 108 Ca 0.00 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 3a1w h GLU 108 Cb 0.46 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3a1w h GLU 108 CO 0.00 -0.10 0.00 1.96 -0.73 0.00 0.00 179.01 180.14 3a1w h GLN 109 N -0.16 0.66 -0.45 1.92 4.20 -1.98 -1.01 115.11 118.29 3a1w h GLN 109 Ca 0.20 -0.16 -0.13 0.00 0.06 0.00 0.00 58.65 58.62 3a1w h GLN 109 Cb 0.48 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3a1w h GLN 109 CO -0.52 0.68 -0.22 0.77 -0.67 0.00 0.00 178.83 178.86 3a1w h SER 110 N 0.63 0.94 0.17 1.46 0.02 -1.58 -1.91 113.55 113.28 3a1w h SER 110 Ca 0.13 -0.35 -0.14 0.00 -0.84 0.00 0.00 61.79 60.59 3a1w h SER 110 Cb 0.39 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3a1w h SER 110 CO 0.01 1.12 -0.51 -0.07 -1.14 0.00 0.00 176.83 176.24 3a1w h LEU 111 N 0.79 0.42 0.11 5.07 3.38 -0.56 0.66 115.31 125.18 3a1w h LEU 111 Ca 0.10 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3a1w h LEU 111 Cb 0.78 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3a1w h LEU 111 CO 0.06 0.86 -0.05 0.22 0.09 0.00 0.00 178.44 179.62 3a1w h TYR 112 N 0.30 -0.14 -0.73 1.13 5.03 -1.09 -2.60 116.97 118.88 3a1w h TYR 112 Ca 0.01 -0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.38 3a1w h TYR 112 Cb 1.01 0.05 -0.06 0.00 1.55 0.00 0.00 36.73 39.27 3a1w h TYR 112 CO 0.03 0.05 0.42 1.25 -1.32 0.00 0.00 178.16 178.58 3a1w h LEU 113 N -0.31 0.62 -0.73 2.82 5.85 -1.16 -1.83 115.31 120.58 3a1w h LEU 113 Ca -0.02 0.03 0.16 0.00 0.84 0.00 0.00 57.88 58.90 3a1w h LEU 113 Cb 0.25 -0.09 -0.12 0.00 0.37 0.00 0.00 40.66 41.07 3a1w h LEU 113 CO 0.03 0.39 0.07 0.25 -0.34 0.00 0.00 178.44 178.84 3a1w h LEU 114 N 0.75 -0.21 -0.91 2.25 5.85 -0.79 0.05 115.31 122.30 3a1w h LEU 114 Ca 0.33 0.17 0.02 0.00 0.84 0.00 0.00 57.88 59.24 3a1w h LEU 114 Cb 0.21 0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 3a1w h LEU 114 CO -0.19 -0.12 0.60 -0.07 -0.34 0.00 0.00 178.44 178.31 3a1w h LEU 115 N 0.16 1.02 -0.44 2.25 3.38 -0.93 -0.45 115.31 120.29 3a1w h LEU 115 Ca 0.40 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.24 3a1w h LEU 115 Cb 0.70 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3a1w h LEU 115 CO -0.59 0.72 -0.17 -0.33 0.09 0.00 0.00 178.44 178.16 3a1w h GLU 116 N 1.19 0.90 -0.49 1.13 5.08 -1.06 -3.09 114.58 118.24 3a1w h GLU 116 Ca 0.35 -0.37 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 3a1w h GLU 116 Cb -0.07 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3a1w h GLU 116 CO -0.10 1.02 -0.08 0.82 -1.00 0.00 0.00 179.01 179.68 3a1w h ILE 117 N 0.73 1.26 0.00 3.13 2.04 -0.60 -2.70 117.51 121.37 3a1w h ILE 117 Ca 0.10 -1.17 -0.02 0.00 1.00 0.00 0.00 64.86 64.78 3a1w h ILE 117 Cb 0.73 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 3a1w h ILE 117 CO 0.06 0.41 -0.08 -0.07 0.00 0.00 0.00 178.15 178.47 3a1w h LEU 118 N 0.80 0.00 -1.16 1.44 3.38 -1.02 0.92 115.31 119.67 3a1w h LEU 118 Ca 0.14 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.12 3a1w h LEU 118 Cb 0.59 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3a1w h LEU 118 CO 0.04 0.08 0.57 -0.33 0.09 0.00 0.00 178.44 178.88 3a1w h GLU 119 N 0.00 1.12 0.00 1.13 3.07 -1.40 -3.31 114.58 115.18 3a1w h GLU 119 Ca -0.00 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 58.66 3a1w h GLU 119 Cb 0.20 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 3a1w h GLU 119 CO 0.01 0.74 -2.11 -1.33 -1.40 0.00 0.00 179.01 174.92 3a1w n MET 120 N -4.41 0.69 -3.55 2.33 2.81 0.10 -4.90 117.12 110.19 3a1w n MET 120 Ca 0.10 -0.13 -0.09 0.00 -1.81 0.00 0.00 57.70 55.77 3a1w n MET 120 Cb 0.03 -1.51 -0.09 0.00 -0.71 0.00 0.00 33.22 30.94 3a1w n MET 120 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3a1w s GLU 121 N -3.12 0.32 0.26 0.03 2.56 0.07 -4.90 118.70 113.93 3a1w s GLU 121 Ca -0.09 0.84 0.13 0.00 0.00 0.00 0.00 54.97 55.86 3a1w s GLU 121 Cb 0.11 0.03 0.24 0.00 2.00 0.00 0.00 34.13 36.50 3a1w s GLU 121 CO 0.86 -0.39 1.52 0.87 -0.56 0.00 0.00 175.26 177.56 3a1w h LYS 122 N 8.18 0.00 -5.89 4.30 1.57 -1.83 -3.35 116.57 119.55 3a1w h LYS 122 Ca -0.17 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.99 3a1w h LYS 122 Cb 1.13 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.32 3a1w h LYS 122 CO 0.18 0.62 1.38 0.15 -0.57 0.00 0.00 179.45 181.21 3a1w s LYS 123 N -3.22 3.60 -0.01 3.15 1.02 -1.26 -4.96 119.74 118.06 3a1w s LYS 123 Ca 0.01 -1.26 0.05 0.00 0.02 0.00 0.00 55.97 54.79 3a1w s LYS 123 Cb 0.10 -5.28 -0.01 0.00 -0.52 0.00 0.00 37.83 32.12 3a1w s LYS 123 CO 0.75 -2.13 -0.16 0.08 -0.92 0.00 0.00 175.35 172.97 3a1w s VAL 124 N 4.52 1.29 -0.10 3.17 1.01 -1.26 -1.06 120.40 127.96 3a1w s VAL 124 Ca 0.44 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.69 3a1w s VAL 124 Cb -0.01 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 3a1w s VAL 124 CO -0.10 0.33 -0.17 -0.63 0.00 0.00 0.00 175.10 174.53 3a1w s ILE 125 N -0.44 2.70 -0.37 2.22 1.01 -0.12 -4.27 121.20 121.94 3a1w s ILE 125 Ca 0.06 -0.80 -0.18 0.00 0.00 0.00 0.00 60.65 59.72 3a1w s ILE 125 Cb -0.06 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.32 3a1w s ILE 125 CO -0.00 0.55 0.51 -0.22 0.00 0.00 0.00 174.94 175.78 3a1w s LEU 126 N 0.11 4.45 -0.41 2.97 2.96 -0.72 -0.26 118.68 127.78 3a1w s LEU 126 Ca -0.08 -0.18 -0.12 0.00 -0.22 0.00 0.00 54.13 53.53 3a1w s LEU 126 Cb -0.15 -2.56 0.05 0.00 0.50 0.00 0.00 46.19 44.02 3a1w s LEU 126 CO 0.05 -0.53 0.27 0.00 -1.32 0.00 0.00 176.35 174.83 3a1w s ALA 127 N 2.40 3.36 0.23 5.97 0.00 0.31 -0.75 121.76 133.28 3a1w s ALA 127 Ca 0.18 -1.91 -0.28 0.00 0.00 0.00 0.00 51.96 49.95 3a1w s ALA 127 Cb -0.16 -2.75 -0.09 0.00 0.00 0.00 0.00 23.12 20.13 3a1w s ALA 127 CO 0.14 -1.54 0.89 -1.64 0.00 0.00 0.00 175.76 173.61 3a1w s MET 128 N 1.55 4.71 0.49 0.00 1.00 0.33 -0.80 119.30 126.58 3a1w s MET 128 Ca 0.03 1.35 0.02 0.00 0.00 0.00 0.00 55.69 57.09 3a1w s MET 128 Cb -0.21 -3.19 -0.01 0.00 0.00 0.00 0.00 34.83 31.42 3a1w s MET 128 CO 0.06 0.49 0.06 0.95 0.00 0.00 0.00 175.02 176.58 3a1w s THR 129 N -1.25 0.81 -1.46 2.05 -4.23 0.04 -0.64 115.64 110.97 3a1w s THR 129 Ca 0.41 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.84 3a1w s THR 129 Cb -0.24 -2.13 0.04 0.00 1.34 0.00 0.00 72.50 71.51 3a1w s THR 129 CO 0.29 0.00 0.72 0.00 -0.54 0.00 0.00 174.62 175.09 3a1w n ALA 130 N -1.16 -1.10 0.15 3.99 0.00 -1.26 -2.11 120.51 119.02 3a1w n ALA 130 Ca -0.15 0.23 0.01 0.00 0.00 0.00 0.00 53.44 53.53 3a1w n ALA 130 Cb 0.66 -3.92 0.20 0.00 0.00 0.00 0.00 19.45 16.39 3a1w n ALA 130 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3a1w h ILE 131 N -1.57 1.23 0.05 0.00 3.07 -1.87 -1.12 117.51 117.31 3a1w h ILE 131 Ca -0.52 -2.00 -0.00 0.00 1.55 0.00 0.00 64.86 63.89 3a1w h ILE 131 Cb 1.35 2.13 0.00 0.00 -0.27 0.00 0.00 36.82 40.03 3a1w h ILE 131 CO 0.58 0.54 -0.02 0.44 -1.05 0.00 0.00 178.15 178.63 3a1w h ASP 132 N 0.00 -0.06 -0.65 2.16 3.32 -1.90 -3.05 116.42 116.24 3a1w h ASP 132 Ca -0.01 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3a1w h ASP 132 Cb 1.08 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 3a1w h ASP 132 CO 0.07 0.37 0.43 -0.08 -1.72 0.00 0.00 179.24 178.31 3a1w h GLU 133 N -0.50 0.86 -0.43 3.56 4.81 -1.95 -3.12 114.58 117.81 3a1w h GLU 133 Ca -0.01 -0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.26 3a1w h GLU 133 Cb 0.45 -0.19 -0.09 0.00 0.63 0.00 0.00 28.75 29.55 3a1w h GLU 133 CO 0.01 0.58 -0.21 0.00 -0.73 0.00 0.00 179.01 178.67 3a1w h ALA 134 N 1.23 0.11 -0.69 2.92 0.00 -1.23 -0.08 119.26 121.53 3a1w h ALA 134 Ca 0.24 0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.44 3a1w h ALA 134 Cb -0.09 0.50 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 3a1w h ALA 134 CO -0.05 -0.56 0.17 1.57 0.00 0.00 0.00 179.25 180.37 3a1w h LYS 135 N -0.12 0.27 -0.84 0.00 -0.00 -1.47 -3.50 116.57 110.92 3a1w h LYS 135 Ca 0.21 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.84 3a1w h LYS 135 Cb 0.44 -0.06 0.00 0.00 -0.00 0.00 0.00 32.23 32.61 3a1w h LYS 135 CO -0.50 0.18 0.00 0.36 -0.00 0.00 0.00 179.45 179.48 3a1w n LYS 136 N -5.14 0.85 0.00 0.07 2.85 -0.05 -5.15 118.16 111.59 3a1w n LYS 136 Ca 0.12 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 3a1w n LYS 136 Cb 0.40 -1.42 0.00 0.00 -0.65 0.00 0.00 35.03 33.37 3a1w n LYS 136 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 3a1w n ILE 141 N 0.07 0.00 -2.22 0.58 5.41 -1.26 -5.08 119.36 116.86 3a1w n ILE 141 Ca 0.00 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.32 3a1w n ILE 141 Cb 0.21 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.11 3a1w n ILE 141 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3a1w s ASP 142 N 0.00 6.21 0.06 4.38 2.15 -1.26 -4.90 116.67 123.31 3a1w s ASP 142 Ca 0.00 1.05 -0.26 0.00 0.43 0.00 0.00 52.55 53.77 3a1w s ASP 142 Cb 0.00 -2.53 -0.17 0.00 -0.30 0.00 0.00 42.92 39.92 3a1w s ASP 142 CO 0.00 -1.50 1.57 -0.09 -0.17 0.00 0.00 175.17 174.98 3a1w h ARG 143 N 11.35 -0.25 -0.39 4.34 2.43 -1.99 -1.09 114.38 128.78 3a1w h ARG 143 Ca -0.30 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 58.96 3a1w h ARG 143 Cb 1.13 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 3a1w h ARG 143 CO 1.06 -0.07 0.27 1.88 -1.51 0.00 0.00 179.97 181.60 3a1w h TYR 144 N -0.38 0.23 -0.03 2.20 0.99 -1.94 0.10 116.97 118.14 3a1w h TYR 144 Ca -0.03 0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.62 3a1w h TYR 144 Cb 0.29 -0.08 0.01 0.00 1.00 0.00 0.00 36.73 37.95 3a1w h TYR 144 CO -0.03 0.12 -0.31 1.05 -0.00 0.00 0.00 178.16 179.00 3a1w h GLU 145 N 0.23 0.27 -0.68 4.88 9.09 -1.89 -0.92 114.58 125.57 3a1w h GLU 145 Ca 0.18 -0.25 0.03 0.00 0.05 0.00 0.00 59.36 59.37 3a1w h GLU 145 Cb 0.40 0.06 -0.04 0.00 -1.65 0.00 0.00 28.75 27.52 3a1w h GLU 145 CO -0.03 0.92 0.42 1.25 0.05 0.00 0.00 179.01 181.62 3a1w h LEU 146 N -0.29 0.70 -0.44 3.06 6.46 -0.67 -1.11 115.31 123.01 3a1w h LEU 146 Ca -0.03 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.62 3a1w h LEU 146 Cb 1.00 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 3a1w h LEU 146 CO 0.06 0.48 -0.17 -0.61 -0.62 0.00 0.00 178.44 177.59 3a1w h GLN 147 N 0.83 0.90 -0.33 1.25 4.15 -1.00 -1.15 115.11 119.75 3a1w h GLN 147 Ca 0.28 -0.37 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 3a1w h GLN 147 Cb 0.02 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 3a1w h GLN 147 CO -0.11 1.02 0.19 0.87 -1.93 0.00 0.00 178.83 178.87 3a1w h LYS 148 N 0.73 0.46 0.20 1.69 1.57 -0.96 -1.28 116.57 118.97 3a1w h LYS 148 Ca 0.10 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3a1w h LYS 148 Cb 0.73 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 3a1w h LYS 148 CO 0.06 0.37 -0.52 1.25 -0.57 0.00 0.00 179.45 180.03 3a1w h HIS 149 N 0.42 -1.51 0.00 -1.35 -0.00 -1.03 -3.25 115.15 108.43 3a1w h HIS 149 Ca 0.12 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.48 3a1w h HIS 149 Cb 0.04 0.63 -0.01 0.00 -0.00 0.00 0.00 27.41 28.08 3a1w h HIS 149 CO -0.03 -0.61 -0.22 -0.07 -0.00 0.00 0.00 177.93 176.99 3a1w h LEU 150 N -0.81 0.00 0.23 0.26 3.38 -1.05 -3.47 115.31 113.86 3a1w h LEU 150 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3a1w h LEU 150 Cb 0.78 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 3a1w h LEU 150 CO -0.24 0.22 -0.09 0.61 0.09 0.00 0.00 178.44 179.02 3a1w n GLY 151 N 0.59 0.75 3.13 0.83 0.00 -0.50 -5.02 105.19 104.97 3a1w n GLY 151 Ca 0.01 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 3a1w n GLY 151 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a1w s ILE 152 N -2.08 0.60 0.35 -0.61 -4.36 -1.25 -5.09 121.20 108.76 3a1w s ILE 152 Ca 0.00 -1.65 -0.29 0.00 -0.26 0.00 0.00 60.65 58.46 3a1w s ILE 152 Cb 0.00 -1.32 -0.11 0.00 1.25 0.00 0.00 42.46 42.28 3a1w s ILE 152 CO 0.00 -0.73 1.54 -2.65 0.24 0.00 0.00 174.94 173.34 3a1w n PRO 153 N 0.46 2.72 -4.75 0.37 -0.02 -1.26 -4.68 135.00 127.84 3a1w n PRO 153 Ca -0.16 0.96 -0.27 0.00 -2.02 0.00 0.00 63.50 62.01 3a1w n PRO 153 Cb 0.59 -2.72 -0.17 0.00 -0.02 0.00 0.00 33.50 31.18 3a1w n PRO 153 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3a1w s VAL 154 N -0.76 1.46 -0.04 -1.45 1.01 -1.26 -1.75 120.40 117.61 3a1w s VAL 154 Ca 0.56 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.93 3a1w s VAL 154 Cb -0.47 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 34.59 3a1w s VAL 154 CO 0.59 0.43 -0.18 -0.69 0.00 0.00 0.00 175.10 175.25 3a1w s VAL 155 N 0.63 1.49 -0.22 2.92 1.01 0.07 -4.99 120.40 121.30 3a1w s VAL 155 Ca -0.15 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 3a1w s VAL 155 Cb -0.16 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 3a1w s VAL 155 CO 0.04 0.43 0.41 -0.36 0.00 0.00 0.00 175.10 175.63 3a1w s PHE 156 N -0.00 3.33 0.16 5.22 0.40 -1.26 -0.51 117.98 125.31 3a1w s PHE 156 Ca -0.03 0.58 0.10 0.00 -0.60 0.00 0.00 56.93 56.98 3a1w s PHE 156 Cb -0.12 -2.57 -0.04 0.00 0.51 0.00 0.00 43.02 40.80 3a1w s PHE 156 CO 0.02 -0.10 -0.23 0.95 0.70 0.00 0.00 175.22 176.56 3a1w s THR 157 N 1.63 2.09 -0.19 0.64 -4.23 0.19 -3.82 115.64 111.96 3a1w s THR 157 Ca 0.19 -1.86 -0.03 0.00 -1.18 0.00 0.00 61.69 58.81 3a1w s THR 157 Cb -0.15 -1.93 0.06 0.00 1.34 0.00 0.00 72.50 71.82 3a1w s THR 157 CO 0.09 -0.11 0.05 -0.55 -0.54 0.00 0.00 174.62 173.55 3a1w s SER 158 N -2.40 2.76 0.56 3.99 0.15 -0.25 -4.37 113.70 114.13 3a1w s SER 158 Ca 0.15 -0.76 0.24 0.00 0.70 0.00 0.00 55.95 56.28 3a1w s SER 158 Cb -0.08 -0.51 1.52 0.00 -1.71 0.00 0.00 66.02 65.24 3a1w s SER 158 CO 0.07 -0.31 2.14 0.28 1.20 0.00 0.00 173.24 176.61 3a1w h SER 159 N 8.29 0.00 -0.05 5.45 0.02 -1.90 0.91 113.55 126.27 3a1w h SER 159 Ca -0.16 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.69 3a1w h SER 159 Cb 1.13 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.67 3a1w h SER 159 CO 0.32 0.00 -0.35 0.58 -1.14 0.00 0.00 176.83 176.25 3a1w h VAL 160 N 0.00 1.44 0.00 2.27 2.07 -1.95 -3.35 116.25 116.74 3a1w h VAL 160 Ca 0.06 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.78 3a1w h VAL 160 Cb 0.29 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 3a1w h VAL 160 CO -0.00 0.51 -1.49 0.35 0.02 0.00 0.00 177.57 176.96 3a1w n THR 161 N -4.41 0.10 -0.66 2.57 -2.24 -1.13 -4.96 114.28 103.55 3a1w n THR 161 Ca -0.09 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3a1w n THR 161 Cb 0.52 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 3a1w n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a1w n GLY 162 N 1.32 0.81 3.67 3.38 0.00 0.30 -5.02 105.19 109.65 3a1w n GLY 162 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3a1w n GLY 162 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3a1w n GLU 163 N -2.07 1.98 -0.01 1.61 2.13 -1.15 -2.07 120.64 121.05 3a1w n GLU 163 Ca 0.00 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.52 3a1w n GLU 163 Cb 0.00 -2.33 0.00 0.00 0.27 0.00 0.00 31.44 29.38 3a1w n GLU 163 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a1w n GLY 164 N 1.95 2.92 0.19 8.31 0.00 -1.25 -1.09 105.19 116.22 3a1w n GLY 164 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 3a1w n GLY 164 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a1w h LEU 165 N 0.00 0.48 -0.30 0.99 3.38 -1.71 -0.63 115.31 117.52 3a1w h LEU 165 Ca 0.00 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 3a1w h LEU 165 Cb 0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3a1w h LEU 165 CO 0.00 0.97 0.08 -0.33 0.09 0.00 0.00 178.44 179.25 3a1w h GLU 166 N 0.32 0.48 -0.51 1.13 4.39 -1.89 -1.61 114.58 116.88 3a1w h GLU 166 Ca -0.01 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 3a1w h GLU 166 Cb 1.14 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 3a1w h GLU 166 CO 0.11 0.55 0.23 0.93 -1.16 0.00 0.00 179.01 179.66 3a1w h GLU 167 N 0.33 0.72 -0.16 2.33 3.07 -1.91 0.09 114.58 119.04 3a1w h GLU 167 Ca 0.10 -0.09 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 3a1w h GLU 167 Cb 0.28 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 3a1w h GLU 167 CO 0.00 0.57 0.03 1.25 -1.40 0.00 0.00 179.01 179.46 3a1w h LEU 168 N 0.72 0.25 -1.07 1.33 5.85 -0.93 -1.85 115.31 119.61 3a1w h LEU 168 Ca 0.18 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 3a1w h LEU 168 Cb 0.10 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3a1w h LEU 168 CO -0.02 0.44 -0.10 0.11 -0.34 0.00 0.00 178.44 178.53 3a1w h LYS 169 N 0.05 0.54 -0.63 1.25 1.57 -0.96 -1.22 116.57 117.18 3a1w h LYS 169 Ca 0.05 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 3a1w h LYS 169 Cb 0.29 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 3a1w h LYS 169 CO 0.00 0.64 0.14 1.49 -0.57 0.00 0.00 179.45 181.16 3a1w h GLU 170 N 0.51 1.00 -0.40 3.15 4.57 -0.88 -2.32 114.58 120.21 3a1w h GLU 170 Ca 0.10 -0.23 -0.11 0.00 -1.18 0.00 0.00 59.36 57.93 3a1w h GLU 170 Cb 0.48 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 3a1w h GLU 170 CO 0.03 0.90 -0.20 0.87 -1.18 0.00 0.00 179.01 179.43 3a1w h LYS 171 N 0.96 0.77 -0.08 1.92 1.79 -0.67 -2.24 116.57 119.02 3a1w h LYS 171 Ca 0.20 -0.30 0.02 0.00 -2.18 0.00 0.00 60.65 58.39 3a1w h LYS 171 Cb 0.36 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 3a1w h LYS 171 CO 0.00 0.91 -0.06 0.82 -1.08 0.00 0.00 179.45 180.04 3a1w h ILE 172 N 0.68 0.82 -0.01 1.86 2.04 -0.94 -2.03 117.51 119.93 3a1w h ILE 172 Ca 0.10 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.89 3a1w h ILE 172 Cb 0.70 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3a1w h ILE 172 CO 0.05 0.00 -0.31 -0.37 0.00 0.00 0.00 178.15 177.52 3a1w h VAL 173 N -0.07 1.23 -0.23 1.67 -1.51 -1.29 -0.90 116.25 115.14 3a1w h VAL 173 Ca 0.05 -1.08 -0.01 0.00 -1.23 0.00 0.00 66.70 64.43 3a1w h VAL 173 Cb 0.15 1.57 -0.01 0.00 -2.13 0.00 0.00 31.29 30.87 3a1w h VAL 173 CO -0.12 0.31 0.09 -0.33 -1.23 0.00 0.00 177.57 176.29 3a1w h GLU 174 N 0.02 0.35 -0.40 5.19 5.08 -1.03 -2.60 114.58 121.18 3a1w h GLU 174 Ca -0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3a1w h GLU 174 Cb 0.55 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 3a1w h GLU 174 CO 0.04 0.40 0.23 1.88 -1.00 0.00 0.00 179.01 180.56 3a1w h TYR 175 N 0.22 0.54 -0.89 4.33 0.05 -1.12 -2.94 116.97 117.17 3a1w h TYR 175 Ca 0.08 -0.01 0.25 0.00 0.05 0.00 0.00 58.73 59.10 3a1w h TYR 175 Cb 0.18 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.71 3a1w h TYR 175 CO -0.01 0.40 0.63 0.00 -1.05 0.00 0.00 178.16 178.13 3a1w h ALA 176 N 1.09 2.73 -0.02 3.88 0.00 -0.94 -3.51 119.26 122.50 3a1w h ALA 176 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3a1w h ALA 176 Cb 0.03 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3a1w h ALA 176 CO -0.02 -0.99 0.00 1.04 0.00 0.00 0.00 179.25 179.27