#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5q n ASN 24 N 0.00 0.68 -3.75 -1.43 4.13 -1.26 -5.00 115.26 108.63 3d5q n ASN 24 Ca 0.00 -0.59 -0.30 0.00 1.68 0.00 0.00 54.58 55.37 3d5q n ASN 24 Cb 0.00 0.04 0.28 0.00 -1.54 0.00 0.00 39.78 38.56 3d5q n ASN 24 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3d5q s GLU 25 N -2.60 -2.45 0.24 3.52 8.01 -1.26 -5.08 118.70 119.08 3d5q s GLU 25 Ca 0.23 0.35 0.08 0.00 0.01 0.00 0.00 54.97 55.64 3d5q s GLU 25 Cb 0.19 -1.42 -0.04 0.00 -4.31 0.00 0.00 34.13 28.56 3d5q s GLU 25 CO 0.53 -4.61 0.11 -1.21 0.01 0.00 0.00 175.26 170.09 3d5q s GLU 26 N -4.87 2.67 0.24 1.61 2.02 -1.26 -5.12 118.70 113.99 3d5q s GLU 26 Ca 0.69 -1.16 -0.29 0.00 0.02 0.00 0.00 54.97 54.22 3d5q s GLU 26 Cb -0.17 -2.42 -0.09 0.00 0.10 0.00 0.00 34.13 31.55 3d5q s GLU 26 CO 0.60 0.40 0.93 0.12 0.02 0.00 0.00 175.26 177.33 3d5q s PHE 27 N -2.11 3.98 -0.01 1.61 2.19 -1.26 -5.06 117.98 117.31 3d5q s PHE 27 Ca 0.32 1.89 -0.01 0.00 0.33 0.00 0.00 56.93 59.46 3d5q s PHE 27 Cb -0.08 -2.96 0.00 0.00 -1.31 0.00 0.00 43.02 38.68 3d5q s PHE 27 CO 0.22 0.46 0.02 -0.98 1.83 0.00 0.00 175.22 176.77 3d5q s ARG 28 N -1.20 0.02 0.53 10.12 1.70 -1.26 -5.04 118.95 123.82 3d5q s ARG 28 Ca 0.41 0.04 0.46 0.00 -0.47 0.00 0.00 55.73 56.17 3d5q s ARG 28 Cb -0.26 -0.01 1.68 0.00 -0.57 0.00 0.00 34.95 35.80 3d5q s ARG 28 CO 0.31 -0.02 1.59 -1.35 -1.08 0.00 0.00 175.30 174.75 3d5q h PRO 29 N 6.21 0.00 0.00 3.89 0.11 -2.00 -1.72 132.00 138.50 3d5q h PRO 29 Ca -0.26 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3d5q h PRO 29 Cb 1.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3d5q h PRO 29 CO 0.50 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.68 3d5q n GLU 30 N -4.11 0.09 0.33 1.05 4.71 -1.26 -2.96 120.64 118.50 3d5q n GLU 30 Ca 0.43 0.11 0.21 0.00 -0.01 0.00 0.00 57.16 57.90 3d5q n GLU 30 Cb 1.89 -1.62 1.10 0.00 -1.01 0.00 0.00 31.44 31.80 3d5q n GLU 30 CO 0.00 0.00 0.00 0.52 0.09 0.00 0.00 177.13 177.74 3d5q h MET 31 N 0.00 0.00 0.00 3.49 2.86 -1.70 -2.05 114.93 117.53 3d5q h MET 31 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3d5q h MET 31 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 3d5q h MET 31 CO 0.00 0.00 -1.52 1.28 1.06 0.00 0.00 176.91 177.73 3d5q n LEU 32 N -3.00 0.18 -4.63 1.22 7.99 -1.15 -4.85 117.00 112.75 3d5q n LEU 32 Ca -0.03 -0.12 -0.58 0.00 -0.01 0.00 0.00 56.01 55.27 3d5q n LEU 32 Cb 0.16 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.39 3d5q n LEU 32 CO 0.18 0.05 1.42 1.67 -1.51 0.00 0.00 177.39 179.20 3d5q n GLN 33 N -1.91 0.87 -0.92 3.23 7.27 -0.77 0.32 117.38 125.47 3d5q n GLN 33 Ca -0.02 0.30 0.00 0.00 0.07 0.00 0.00 57.00 57.36 3d5q n GLN 33 Cb 0.39 -2.02 0.00 0.00 2.41 0.00 0.00 30.24 31.02 3d5q n GLN 33 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3d5q n GLY 34 N 4.90 0.85 3.78 1.69 0.00 0.42 -4.92 105.19 111.91 3d5q n GLY 34 Ca 0.32 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 3d5q n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d5q s LYS 35 N -0.16 3.07 -0.45 1.61 -0.14 0.15 -4.50 119.74 119.32 3d5q s LYS 35 Ca 0.00 1.46 -0.14 0.00 -1.36 0.00 0.00 55.97 55.93 3d5q s LYS 35 Cb 0.00 -1.98 0.07 0.00 -1.68 0.00 0.00 37.83 34.24 3d5q s LYS 35 CO 0.00 -1.04 0.35 0.15 -0.76 0.00 0.00 175.35 174.05 3d5q s LYS 36 N -3.77 2.90 -0.08 1.68 1.02 -1.26 0.21 119.74 120.44 3d5q s LYS 36 Ca 0.69 -1.33 0.02 0.00 0.02 0.00 0.00 55.97 55.36 3d5q s LYS 36 Cb -0.21 -4.04 -0.02 0.00 -0.52 0.00 0.00 37.83 33.04 3d5q s LYS 36 CO 0.35 -0.98 -0.12 0.08 -0.92 0.00 0.00 175.35 173.77 3d5q s VAL 37 N 1.60 3.23 -0.14 3.17 1.01 0.24 -1.58 120.40 127.93 3d5q s VAL 37 Ca 0.04 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 3d5q s VAL 37 Cb -0.23 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 3d5q s VAL 37 CO 0.06 0.57 0.02 -0.63 0.00 0.00 0.00 175.10 175.12 3d5q s ILE 38 N -0.35 4.46 -0.13 2.22 1.01 -0.19 -0.98 121.20 127.25 3d5q s ILE 38 Ca 0.04 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.53 3d5q s ILE 38 Cb -0.12 -2.95 0.02 0.00 0.01 0.00 0.00 42.46 39.41 3d5q s ILE 38 CO 0.02 0.52 -0.14 -0.69 0.00 0.00 0.00 174.94 174.66 3d5q s VAL 39 N -0.10 1.49 0.42 2.92 1.01 -0.95 -0.41 120.40 124.77 3d5q s VAL 39 Ca 0.05 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.46 3d5q s VAL 39 Cb -0.12 -1.39 -0.00 0.00 0.00 0.00 0.00 36.38 34.86 3d5q s VAL 39 CO 0.02 0.44 0.61 0.42 0.00 0.00 0.00 175.10 176.59 3d5q s THR 40 N 1.34 3.94 -1.31 3.92 -4.23 -0.73 -2.95 115.64 115.62 3d5q s THR 40 Ca 0.01 -0.68 -0.01 0.00 -1.18 0.00 0.00 61.69 59.83 3d5q s THR 40 Cb -0.13 -3.42 -0.00 0.00 1.34 0.00 0.00 72.50 70.28 3d5q s THR 40 CO -0.07 -0.25 0.67 0.61 -0.54 0.00 0.00 174.62 175.04 3d5q n GLY 41 N -1.94 -0.31 0.79 3.99 0.00 -0.88 -4.03 105.19 102.82 3d5q n GLY 41 Ca 0.01 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.30 3d5q n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5q n ALA 42 N -4.27 2.50 -0.09 4.61 0.00 -0.63 -3.89 120.51 118.74 3d5q n ALA 42 Ca -0.30 -0.61 -0.13 0.00 0.00 0.00 0.00 53.44 52.41 3d5q n ALA 42 Cb 0.68 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 19.15 3d5q n ALA 42 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3d5q h SER 43 N 3.87 0.72 -3.83 0.00 4.64 -1.91 -3.20 113.55 113.84 3d5q h SER 43 Ca 0.00 -0.47 -0.31 0.00 -0.47 0.00 0.00 61.79 60.54 3d5q h SER 43 Cb 0.82 -0.20 -0.08 0.00 -0.31 0.00 0.00 62.40 62.63 3d5q h SER 43 CO 0.00 1.03 -0.29 0.29 -0.87 0.00 0.00 176.83 176.99 3d5q n LYS 44 N -4.30 0.34 0.00 4.77 5.02 -1.26 -4.79 118.16 117.94 3d5q n LYS 44 Ca -0.04 -2.11 0.00 0.00 -2.02 0.00 0.00 58.31 54.14 3d5q n LYS 44 Cb 0.45 1.63 0.00 0.00 -0.02 0.00 0.00 35.03 37.09 3d5q n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d5q n GLY 45 N -0.27 2.26 0.28 0.72 0.00 -1.26 -2.88 105.19 104.03 3d5q n GLY 45 Ca 0.03 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 3d5q n GLY 45 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3d5q h ILE 46 N 0.00 1.25 -0.94 -0.61 2.04 -1.89 -3.03 117.51 114.33 3d5q h ILE 46 Ca 0.00 -0.96 0.04 0.00 1.00 0.00 0.00 64.86 64.94 3d5q h ILE 46 Cb 0.00 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 36.79 3d5q h ILE 46 CO 0.00 0.35 0.61 1.23 0.00 0.00 0.00 178.15 180.34 3d5q h GLY 47 N 0.85 1.39 0.28 5.37 0.00 -1.67 0.77 103.07 110.06 3d5q h GLY 47 Ca 0.18 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 3d5q h GLY 47 CO 0.01 0.37 -0.14 -0.09 0.00 0.00 0.00 176.54 176.69 3d5q h ARG 48 N 1.15 -0.37 -0.49 4.80 2.43 -1.48 -0.83 114.38 119.60 3d5q h ARG 48 Ca 0.38 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.70 3d5q h ARG 48 Cb 0.06 0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 29.60 3d5q h ARG 48 CO -0.14 -0.24 -0.04 0.39 -1.51 0.00 0.00 179.97 178.43 3d5q n GLU 49 N -3.20 -0.04 -0.20 0.20 -0.58 -1.02 0.35 120.64 116.15 3d5q n GLU 49 Ca -0.05 0.74 -0.08 0.00 -0.42 0.00 0.00 57.16 57.36 3d5q n GLU 49 Cb 0.15 -1.15 0.03 0.00 -0.57 0.00 0.00 31.44 29.90 3d5q n GLU 49 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 3d5q h MET 50 N 0.00 0.85 -0.43 3.49 2.86 -0.49 0.91 114.93 122.12 3d5q h MET 50 Ca 0.27 -0.15 0.04 0.00 -2.06 0.00 0.00 59.70 57.80 3d5q h MET 50 Cb 0.52 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 3d5q h MET 50 CO -0.47 0.72 0.20 0.00 1.06 0.00 0.00 176.91 178.42 3d5q h ALA 51 N 1.09 0.54 -0.15 6.32 0.00 0.76 -0.94 119.26 126.88 3d5q h ALA 51 Ca 0.19 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3d5q h ALA 51 Cb 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3d5q h ALA 51 CO -0.02 -0.16 0.07 1.88 0.00 0.00 0.00 179.25 181.02 3d5q h TYR 52 N 0.41 0.21 0.02 0.00 0.05 -0.57 0.17 116.97 117.26 3d5q h TYR 52 Ca 0.19 -0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.99 3d5q h TYR 52 Cb 0.11 -0.07 -0.05 0.00 1.01 0.00 0.00 36.73 37.74 3d5q h TYR 52 CO -0.11 0.25 -0.40 0.45 -1.05 0.00 0.00 178.16 177.30 3d5q h HIS 53 N 0.12 -1.12 -0.85 4.88 3.86 -0.40 0.30 115.15 121.94 3d5q h HIS 53 Ca 0.05 0.03 0.16 0.00 -1.16 0.00 0.00 60.37 59.46 3d5q h HIS 53 Cb 0.11 0.49 -0.10 0.00 1.06 0.00 0.00 27.41 28.97 3d5q h HIS 53 CO -0.03 -0.48 0.42 -0.07 0.86 0.00 0.00 177.93 178.63 3d5q h LEU 54 N -0.57 0.48 0.28 2.43 3.38 -1.01 -0.07 115.31 120.23 3d5q h LEU 54 Ca 0.05 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3d5q h LEU 54 Cb 0.64 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 3d5q h LEU 54 CO -0.29 0.17 -0.48 0.00 0.09 0.00 0.00 178.44 177.93 3d5q h ALA 55 N 1.58 -0.97 -1.00 1.53 0.00 0.12 -1.00 119.26 119.54 3d5q h ALA 55 Ca 0.48 -0.13 0.25 0.00 0.00 0.00 0.00 54.91 55.50 3d5q h ALA 55 Cb 0.73 0.76 -0.08 0.00 0.00 0.00 0.00 17.79 19.20 3d5q h ALA 55 CO -0.39 -1.10 0.65 0.87 0.00 0.00 0.00 179.25 179.28 3d5q h LYS 56 N -0.82 0.37 -0.10 0.00 1.79 0.13 0.57 116.57 118.50 3d5q h LYS 56 Ca -0.02 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 3d5q h LYS 56 Cb 0.78 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 3d5q h LYS 56 CO -0.18 0.25 0.00 -1.33 -1.08 0.00 0.00 179.45 177.10 3d5q n MET 57 N -4.56 1.47 -3.34 3.15 2.81 -0.39 -4.90 117.12 111.36 3d5q n MET 57 Ca 0.23 -0.70 -0.17 0.00 -1.81 0.00 0.00 57.70 55.25 3d5q n MET 57 Cb 0.83 -1.36 0.07 0.00 -0.71 0.00 0.00 33.22 32.05 3d5q n MET 57 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3d5q n GLY 58 N 1.01 -0.92 3.99 3.03 0.00 0.20 -3.25 105.19 109.24 3d5q n GLY 58 Ca 0.15 0.44 -0.18 0.00 0.00 0.00 0.00 46.02 46.44 3d5q n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5q s ALA 59 N -3.40 4.46 0.05 4.61 0.00 -0.98 0.16 121.76 126.65 3d5q s ALA 59 Ca 0.33 -1.73 -0.23 0.00 0.00 0.00 0.00 51.96 50.34 3d5q s ALA 59 Cb -0.05 -1.51 -0.06 0.00 0.00 0.00 0.00 23.12 21.50 3d5q s ALA 59 CO 0.75 -0.30 0.68 -1.01 0.00 0.00 0.00 175.76 175.89 3d5q s HIS 60 N -2.39 3.75 -0.02 0.00 3.76 0.57 -0.49 115.29 120.47 3d5q s HIS 60 Ca 0.54 1.38 0.03 0.00 -0.15 0.00 0.00 55.06 56.85 3d5q s HIS 60 Cb -0.09 -2.70 0.00 0.00 1.11 0.00 0.00 32.58 30.90 3d5q s HIS 60 CO 0.32 0.37 -0.09 0.14 -0.85 0.00 0.00 174.74 174.63 3d5q s VAL 61 N -0.38 0.80 -0.12 -0.90 -7.23 -0.71 0.81 120.40 112.67 3d5q s VAL 61 Ca 0.34 -0.38 0.03 0.00 -1.81 0.00 0.00 61.98 60.16 3d5q s VAL 61 Cb -0.20 -0.71 0.01 0.00 0.56 0.00 0.00 36.38 36.04 3d5q s VAL 61 CO 0.21 0.25 -0.20 -0.69 -0.31 0.00 0.00 175.10 174.35 3d5q s VAL 62 N 0.11 1.86 0.02 1.32 1.01 -0.15 -1.77 120.40 122.81 3d5q s VAL 62 Ca -0.02 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.16 3d5q s VAL 62 Cb -0.08 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 3d5q s VAL 62 CO 0.00 0.51 -0.18 0.68 0.00 0.00 0.00 175.10 176.12 3d5q s VAL 63 N 0.77 2.81 0.09 2.92 -7.23 -0.12 -2.24 120.40 117.40 3d5q s VAL 63 Ca -0.09 -1.10 -0.01 0.00 -1.81 0.00 0.00 61.98 58.97 3d5q s VAL 63 Cb -0.16 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 3d5q s VAL 63 CO 0.00 0.39 -0.00 0.28 -0.31 0.00 0.00 175.10 175.46 3d5q s THR 64 N -0.88 0.26 -3.51 5.32 -1.32 -1.15 -1.85 115.64 112.50 3d5q s THR 64 Ca 0.14 -1.87 0.00 0.00 -1.21 0.00 0.00 61.69 58.75 3d5q s THR 64 Cb -0.10 -1.75 0.00 0.00 -1.51 0.00 0.00 72.50 69.14 3d5q s THR 64 CO 0.04 -0.78 0.00 0.00 -2.21 0.00 0.00 174.62 171.67 3d5q n ALA 65 N 0.00 0.00 0.02 11.08 0.00 -1.24 -1.60 120.51 128.77 3d5q n ALA 65 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 3d5q n ALA 65 Cb 0.62 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.94 3d5q n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d5q h ARG 66 N 0.00 0.06 -5.51 0.00 3.08 -1.78 0.28 114.38 110.51 3d5q h ARG 66 Ca 0.00 -0.11 -0.44 0.00 0.07 0.00 0.00 59.98 59.50 3d5q h ARG 66 Cb 0.00 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.04 3d5q h ARG 66 CO 0.00 0.82 1.46 0.43 -1.07 0.00 0.00 179.97 181.60 3d5q n SER 67 N -3.25 3.57 -0.29 7.04 7.64 -1.26 -4.41 113.62 122.66 3d5q n SER 67 Ca -0.12 -2.76 0.01 0.00 1.01 0.00 0.00 58.87 57.02 3d5q n SER 67 Cb 1.01 -1.72 0.06 0.00 -1.01 0.00 0.00 64.21 62.56 3d5q n SER 67 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3d5q n LYS 68 N 8.23 -0.14 0.19 1.43 4.81 -1.26 -1.18 118.16 130.23 3d5q n LYS 68 Ca 0.46 1.21 0.08 0.00 -0.87 0.00 0.00 58.31 59.20 3d5q n LYS 68 Cb 0.46 -1.80 0.11 0.00 0.02 0.00 0.00 35.03 33.82 3d5q n LYS 68 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3d5q h GLU 69 N 0.00 0.00 0.14 1.64 4.57 -2.01 -2.79 114.58 116.13 3d5q h GLU 69 Ca 0.31 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 58.20 3d5q h GLU 69 Cb 0.51 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 3d5q h GLU 69 CO -0.79 0.20 -1.37 1.15 -1.18 0.00 0.00 179.01 177.02 3d5q h THR 70 N 0.00 1.36 -0.04 0.32 2.02 -1.55 -3.32 112.91 111.70 3d5q h THR 70 Ca -0.00 -2.94 -0.00 0.00 0.77 0.00 0.00 66.41 64.24 3d5q h THR 70 Cb 1.15 2.90 -0.00 0.00 -1.74 0.00 0.00 68.15 70.46 3d5q h THR 70 CO 0.03 0.86 0.02 -0.07 0.37 0.00 0.00 175.52 176.72 3d5q h LEU 71 N 0.08 0.05 -1.58 2.58 3.38 -1.09 -1.86 115.31 116.87 3d5q h LEU 71 Ca -0.18 -0.13 0.27 0.00 0.09 0.00 0.00 57.88 57.94 3d5q h LEU 71 Cb 2.01 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 42.67 3d5q h LEU 71 CO 0.20 0.16 0.70 -0.61 0.09 0.00 0.00 178.44 178.97 3d5q h GLN 72 N -0.07 0.26 0.04 1.13 5.75 -1.64 -0.09 115.11 120.50 3d5q h GLN 72 Ca 0.01 -0.02 -0.25 0.00 -0.15 0.00 0.00 58.65 58.25 3d5q h GLN 72 Cb 0.12 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 3d5q h GLN 72 CO -0.00 0.17 -1.22 0.87 -2.65 0.00 0.00 178.83 176.00 3d5q h LYS 73 N 0.27 0.09 -0.47 1.69 1.79 -1.48 -1.57 116.57 116.89 3d5q h LYS 73 Ca 0.56 -0.16 -0.05 0.00 -2.18 0.00 0.00 60.65 58.82 3d5q h LYS 73 Cb 1.64 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 32.33 3d5q h LYS 73 CO -0.19 1.00 0.11 0.28 -1.08 0.00 0.00 179.45 179.56 3d5q h VAL 74 N 0.03 1.24 0.69 0.50 2.07 -0.31 -1.17 116.25 119.30 3d5q h VAL 74 Ca -0.11 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 3d5q h VAL 74 Cb 1.88 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 3d5q h VAL 74 CO 0.14 0.30 -0.36 0.58 0.02 0.00 0.00 177.57 178.26 3d5q h VAL 75 N 0.64 0.27 -0.77 2.57 2.07 -1.12 0.56 116.25 120.47 3d5q h VAL 75 Ca 0.15 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.84 3d5q h VAL 75 Cb 0.34 0.27 -0.11 0.00 -1.52 0.00 0.00 31.29 30.27 3d5q h VAL 75 CO 0.00 0.00 0.22 0.28 0.02 0.00 0.00 177.57 178.09 3d5q h SER 76 N -0.96 0.07 0.16 0.57 0.02 -1.23 1.18 113.55 113.35 3d5q h SER 76 Ca -0.09 0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3d5q h SER 76 Cb 0.75 0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 3d5q h SER 76 CO 0.14 -0.03 -0.15 -0.74 -1.14 0.00 0.00 176.83 174.90 3d5q h HIS 77 N 0.29 0.00 -0.39 3.45 6.17 -0.47 -2.18 115.15 122.03 3d5q h HIS 77 Ca 0.45 0.00 -0.14 0.00 0.71 0.00 0.00 60.37 61.38 3d5q h HIS 77 Cb 0.78 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.70 3d5q h HIS 77 CO -0.24 0.15 -0.33 0.00 0.71 0.00 0.00 177.93 178.22 3d5q h LEU 79 N 0.74 0.15 -1.47 0.00 3.38 -0.46 -1.90 115.31 115.74 3d5q h LEU 79 Ca 0.07 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3d5q h LEU 79 Cb 0.90 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 3d5q h LEU 79 CO 0.08 0.17 0.41 -0.33 0.09 0.00 0.00 178.44 178.86 3d5q h GLU 80 N 0.11 0.65 0.00 1.13 3.07 -1.33 -0.29 114.58 117.92 3d5q h GLU 80 Ca 0.04 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3d5q h GLU 80 Cb 0.05 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.82 3d5q h GLU 80 CO -0.01 0.43 0.00 -0.07 -1.40 0.00 0.00 179.01 177.96 3d5q h LEU 81 N 0.67 0.00 -0.02 1.33 3.38 -1.15 -3.47 115.31 116.04 3d5q h LEU 81 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3d5q h LEU 81 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3d5q h LEU 81 CO -0.07 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.07 3d5q n GLY 82 N 0.21 0.72 3.78 0.83 0.00 -0.12 -4.29 105.19 106.32 3d5q n GLY 82 Ca 0.01 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 3d5q n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5q s ALA 83 N -1.56 3.42 0.55 4.61 0.00 -0.76 -3.17 121.76 124.85 3d5q s ALA 83 Ca 0.00 0.37 0.39 0.00 0.00 0.00 0.00 51.96 52.72 3d5q s ALA 83 Cb 0.00 -2.97 1.56 0.00 0.00 0.00 0.00 23.12 21.71 3d5q s ALA 83 CO 0.00 0.28 1.74 0.00 0.00 0.00 0.00 175.76 177.78 3d5q h ALA 84 N 4.13 3.24 0.00 0.00 0.00 -0.94 -3.45 119.26 122.24 3d5q h ALA 84 Ca -0.47 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3d5q h ALA 84 Cb 1.20 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3d5q h ALA 84 CO 0.66 -1.65 0.00 -1.13 0.00 0.00 0.00 179.25 177.13 3d5q n SER 85 N -4.06 0.00 -3.67 0.00 3.41 -1.22 -4.89 113.62 103.19 3d5q n SER 85 Ca 0.29 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.81 3d5q n SER 85 Cb 1.40 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 65.25 3d5q n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d5q s ALA 86 N -2.00 -1.21 0.11 7.33 0.00 -1.26 -1.74 121.76 123.00 3d5q s ALA 86 Ca 0.00 1.64 0.02 0.00 0.00 0.00 0.00 51.96 53.62 3d5q s ALA 86 Cb 0.00 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 3d5q s ALA 86 CO 0.00 -0.48 -0.07 -1.01 0.00 0.00 0.00 175.76 174.19 3d5q s HIS 87 N 1.93 1.01 0.08 0.00 3.76 -0.73 -4.98 115.29 116.37 3d5q s HIS 87 Ca -0.07 -0.88 0.07 0.00 -0.15 0.00 0.00 55.06 54.03 3d5q s HIS 87 Cb -0.10 -0.56 -0.03 0.00 1.11 0.00 0.00 32.58 33.00 3d5q s HIS 87 CO -0.14 -0.09 -0.17 1.52 -0.85 0.00 0.00 174.74 175.01 3d5q s TYR 88 N -3.54 1.48 -0.06 1.40 -0.85 -1.26 -0.94 117.35 113.58 3d5q s TYR 88 Ca 0.14 -0.44 -0.01 0.00 -0.52 0.00 0.00 57.07 56.24 3d5q s TYR 88 Cb 0.05 -0.82 0.03 0.00 0.38 0.00 0.00 41.96 41.59 3d5q s TYR 88 CO -0.03 0.12 0.02 0.42 -1.52 0.00 0.00 175.55 174.56 3d5q s ILE 89 N -1.20 0.20 0.10 -3.49 1.01 -0.77 -4.96 121.20 112.09 3d5q s ILE 89 Ca 0.02 0.22 -0.24 0.00 0.00 0.00 0.00 60.65 60.65 3d5q s ILE 89 Cb -0.10 -0.38 -0.07 0.00 0.01 0.00 0.00 42.46 41.92 3d5q s ILE 89 CO 0.03 0.22 0.74 0.00 0.00 0.00 0.00 174.94 175.93 3d5q s ALA 90 N 1.96 3.44 -0.03 9.38 0.00 -1.26 -3.69 121.76 131.56 3d5q s ALA 90 Ca 0.04 0.27 -0.28 0.00 0.00 0.00 0.00 51.96 51.99 3d5q s ALA 90 Cb -0.12 -2.92 0.09 0.00 0.00 0.00 0.00 23.12 20.17 3d5q s ALA 90 CO -0.04 0.22 1.28 0.41 0.00 0.00 0.00 175.76 177.63 3d5q n GLY 91 N 1.92 0.20 3.13 0.00 0.00 0.97 -4.95 105.19 106.46 3d5q n GLY 91 Ca -0.05 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 3d5q n GLY 91 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3d5q s THR 92 N -2.01 1.65 -1.74 2.61 -1.32 -1.26 -2.13 115.64 111.45 3d5q s THR 92 Ca 0.30 -0.78 0.00 0.00 -1.21 0.00 0.00 61.69 60.00 3d5q s THR 92 Cb -0.01 -1.46 0.00 0.00 -1.51 0.00 0.00 72.50 69.53 3d5q s THR 92 CO -0.01 0.47 0.66 0.23 -2.21 0.00 0.00 174.62 173.76 3d5q n MET 93 N 3.67 0.76 0.13 7.08 0.00 -1.26 -1.50 117.12 126.00 3d5q n MET 93 Ca -0.21 0.00 0.12 0.00 0.00 0.00 0.00 57.70 57.62 3d5q n MET 93 Cb 0.52 -1.10 0.23 0.00 0.00 0.00 0.00 33.22 32.87 3d5q n MET 93 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 3d5q h GLU 94 N 0.06 0.00 -4.63 0.03 5.08 -1.94 -3.41 114.58 109.78 3d5q h GLU 94 Ca 0.00 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.65 3d5q h GLU 94 Cb 0.10 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.15 3d5q h GLU 94 CO 0.00 0.00 0.25 0.34 -1.00 0.00 0.00 179.01 178.60 3d5q s ASP 95 N -5.09 6.35 0.42 1.42 -1.08 -0.56 -4.91 116.67 113.21 3d5q s ASP 95 Ca 0.07 -1.73 0.13 0.00 -0.52 0.00 0.00 52.55 50.51 3d5q s ASP 95 Cb 0.10 -2.31 1.00 0.00 -1.46 0.00 0.00 42.92 40.25 3d5q s ASP 95 CO 0.67 -1.03 1.96 0.24 0.52 0.00 0.00 175.17 177.53 3d5q h MET 96 N 8.92 0.44 0.02 4.34 2.86 -1.87 -1.15 114.93 128.49 3d5q h MET 96 Ca -0.15 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 3d5q h MET 96 Cb 1.07 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.63 3d5q h MET 96 CO 1.05 0.29 -0.01 1.15 1.06 0.00 0.00 176.91 180.45 3d5q h THR 97 N 0.45 1.14 -1.01 2.22 2.02 -1.96 -2.33 112.91 113.44 3d5q h THR 97 Ca 0.31 -0.49 0.26 0.00 0.77 0.00 0.00 66.41 67.26 3d5q h THR 97 Cb 0.61 1.46 -0.12 0.00 -1.74 0.00 0.00 68.15 68.36 3d5q h THR 97 CO -0.10 0.12 0.60 0.15 0.37 0.00 0.00 175.52 176.67 3d5q h PHE 98 N -0.24 0.97 -0.14 3.16 3.57 -1.57 -1.95 116.94 120.74 3d5q h PHE 98 Ca -0.00 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.34 3d5q h PHE 98 Cb 0.23 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.69 3d5q h PHE 98 CO -0.00 0.04 -0.69 0.00 -2.23 0.00 0.00 178.31 175.43 3d5q h ALA 99 N 1.73 0.53 0.04 2.41 0.00 -0.92 -0.08 119.26 122.96 3d5q h ALA 99 Ca 0.65 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3d5q h ALA 99 Cb 1.31 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3d5q h ALA 99 CO -0.47 0.71 -0.06 0.93 0.00 0.00 0.00 179.25 180.36 3d5q h GLU 100 N 0.42 -0.13 0.00 0.00 5.08 -0.87 -3.06 114.58 116.03 3d5q h GLU 100 Ca -0.02 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3d5q h GLU 100 Cb 1.27 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 3d5q h GLU 100 CO 0.13 -0.08 -0.22 1.96 -1.00 0.00 0.00 179.01 179.79 3d5q h GLN 101 N -0.13 0.00 -0.37 2.33 4.20 -1.28 -2.75 115.11 117.12 3d5q h GLN 101 Ca 0.01 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.60 3d5q h GLN 101 Cb 0.14 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3d5q h GLN 101 CO -0.04 0.22 -0.28 0.35 -0.67 0.00 0.00 178.83 178.41 3d5q h PHE 102 N 0.00 0.90 -0.01 2.96 3.57 -0.91 0.09 116.94 123.54 3d5q h PHE 102 Ca -0.00 -0.22 -0.00 0.00 3.53 0.00 0.00 57.97 61.27 3d5q h PHE 102 Cb 0.67 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 3d5q h PHE 102 CO 0.00 0.96 -0.00 0.28 -2.23 0.00 0.00 178.31 177.32 3d5q h VAL 103 N 0.66 1.37 -0.21 1.41 2.07 -1.42 0.83 116.25 120.96 3d5q h VAL 103 Ca 0.08 -1.10 0.03 0.00 0.82 0.00 0.00 66.70 66.53 3d5q h VAL 103 Cb 0.81 2.11 -0.06 0.00 -1.52 0.00 0.00 31.29 32.63 3d5q h VAL 103 CO 0.07 0.29 -0.45 0.00 0.02 0.00 0.00 177.57 177.50 3d5q h ALA 104 N 0.54 -0.75 -0.52 1.67 0.00 -1.36 -0.74 119.26 118.09 3d5q h ALA 104 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3d5q h ALA 104 Cb 0.47 0.99 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 3d5q h ALA 104 CO 0.00 -0.94 0.26 0.37 0.00 0.00 0.00 179.25 178.94 3d5q h GLN 105 N -0.40 0.49 -0.56 0.00 5.75 -0.94 -2.56 115.11 116.89 3d5q h GLN 105 Ca 0.04 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 3d5q h GLN 105 Cb 0.52 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.93 3d5q h GLN 105 CO -0.41 0.33 0.25 0.00 -2.65 0.00 0.00 178.83 176.34 3d5q h ALA 106 N 1.28 1.38 0.00 3.38 0.00 -0.07 1.00 119.26 126.23 3d5q h ALA 106 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3d5q h ALA 106 Cb 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3d5q h ALA 106 CO -0.17 0.48 0.00 0.41 0.00 0.00 0.00 179.25 179.97 3d5q n GLY 107 N -1.13 -1.29 0.14 0.00 0.00 -0.35 -2.21 105.19 100.34 3d5q n GLY 107 Ca 0.05 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 3d5q n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d5q h LYS 108 N 0.00 0.35 0.00 1.61 1.57 -0.51 -1.33 116.57 118.26 3d5q h LYS 108 Ca 0.00 -0.60 -0.02 0.00 -1.87 0.00 0.00 60.65 58.16 3d5q h LYS 108 Cb 0.36 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 3d5q h LYS 108 CO 0.00 1.25 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.98 3d5q h LEU 109 N 0.10 0.00 0.00 2.94 3.38 -0.95 -3.16 115.31 117.62 3d5q h LEU 109 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3d5q h LEU 109 Cb 2.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.83 3d5q h LEU 109 CO 0.17 0.09 -0.44 0.23 0.09 0.00 0.00 178.44 178.58 3d5q n MET 110 N -3.21 4.17 -3.10 1.13 2.81 -1.06 -5.02 117.12 112.83 3d5q n MET 110 Ca 0.01 -0.01 -0.13 0.00 -1.81 0.00 0.00 57.70 55.76 3d5q n MET 110 Cb 0.36 -0.88 0.07 0.00 -0.71 0.00 0.00 33.22 32.06 3d5q n MET 110 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3d5q n GLY 111 N 1.26 -0.36 0.00 3.03 0.00 -0.85 -4.89 105.19 103.38 3d5q n GLY 111 Ca 0.01 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3d5q n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5q n GLY 112 N -1.15 0.62 3.64 -0.02 0.00 -0.56 -5.04 105.19 102.67 3d5q n GLY 112 Ca -0.19 -2.19 -0.03 0.00 0.00 0.00 0.00 46.02 43.61 3d5q n GLY 112 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3d5q s LEU 113 N 0.00 -0.48 -0.16 0.99 2.96 -1.26 -4.54 118.68 116.19 3d5q s LEU 113 Ca 0.00 0.78 0.09 0.00 -0.22 0.00 0.00 54.13 54.78 3d5q s LEU 113 Cb 0.00 1.73 -0.16 0.00 0.50 0.00 0.00 46.19 48.26 3d5q s LEU 113 CO 0.00 -0.13 -0.04 0.47 -1.32 0.00 0.00 176.35 175.34 3d5q n ASP 114 N 3.43 1.82 -3.68 3.68 8.00 -0.62 -4.06 116.55 125.12 3d5q n ASP 114 Ca -0.18 -0.04 -0.14 0.00 0.71 0.00 0.00 54.79 55.14 3d5q n ASP 114 Cb 0.57 0.40 -0.14 0.00 -0.02 0.00 0.00 41.12 41.94 3d5q n ASP 114 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3d5q s MET 115 N -2.37 0.13 -0.34 -1.24 0.00 -1.12 0.13 119.30 114.49 3d5q s MET 115 Ca -0.15 0.64 -0.08 0.00 0.00 0.00 0.00 55.69 56.11 3d5q s MET 115 Cb 0.05 -0.11 0.03 0.00 0.00 0.00 0.00 34.83 34.80 3d5q s MET 115 CO 0.54 -0.26 0.13 -1.17 0.00 0.00 0.00 175.02 174.26 3d5q s LEU 116 N 2.09 4.33 -0.47 4.11 2.96 0.15 -1.02 118.68 130.83 3d5q s LEU 116 Ca -0.01 -0.96 -0.13 0.00 -0.22 0.00 0.00 54.13 52.81 3d5q s LEU 116 Cb -0.12 -1.93 0.09 0.00 0.50 0.00 0.00 46.19 44.73 3d5q s LEU 116 CO -0.08 -0.31 0.37 -0.63 -1.32 0.00 0.00 176.35 174.38 3d5q s ILE 117 N 1.48 4.85 -0.49 6.68 1.01 0.45 0.87 121.20 136.05 3d5q s ILE 117 Ca 0.01 -1.29 -0.21 0.00 0.00 0.00 0.00 60.65 59.16 3d5q s ILE 117 Cb -0.19 -3.97 0.04 0.00 0.01 0.00 0.00 42.46 38.35 3d5q s ILE 117 CO 0.04 -0.62 0.71 -0.76 0.00 0.00 0.00 174.94 174.31 3d5q s LEU 118 N 1.55 4.59 0.00 2.97 1.43 0.72 -1.78 118.68 128.16 3d5q s LEU 118 Ca 0.04 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 3d5q s LEU 118 Cb -0.25 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.32 3d5q s LEU 118 CO 0.04 -0.93 0.00 -3.20 0.23 0.00 0.00 176.35 172.49 3d5q n ASN 119 N 6.51 1.57 -4.78 2.29 2.85 -1.26 -1.89 115.26 120.55 3d5q n ASN 119 Ca -0.03 -0.10 -0.35 0.00 -0.11 0.00 0.00 54.58 54.00 3d5q n ASN 119 Cb 0.47 0.51 -0.01 0.00 1.24 0.00 0.00 39.78 41.99 3d5q n ASN 119 CO 0.00 0.00 0.00 -1.38 -2.11 0.00 0.00 177.26 173.77 3d5q s HIS 120 N -0.83 2.81 0.07 1.20 -3.43 -1.26 -4.81 115.29 109.05 3d5q s HIS 120 Ca 0.00 1.56 0.03 0.00 -0.80 0.00 0.00 55.06 55.84 3d5q s HIS 120 Cb 0.00 -3.19 -0.03 0.00 -1.43 0.00 0.00 32.58 27.93 3d5q s HIS 120 CO 0.00 -1.25 -0.08 0.96 -2.00 0.00 0.00 174.74 172.36 3d5q s ILE 121 N -1.88 0.69 0.45 -5.38 -4.36 -1.26 -4.70 121.20 104.76 3d5q s ILE 121 Ca 0.70 -1.41 -0.21 0.00 -0.26 0.00 0.00 60.65 59.46 3d5q s ILE 121 Cb -0.20 -1.05 -0.09 0.00 1.25 0.00 0.00 42.46 42.36 3d5q s ILE 121 CO 0.24 -0.53 1.01 0.28 0.24 0.00 0.00 174.94 176.18 3d5q s THR 122 N -2.14 3.99 0.26 8.37 -1.32 -1.26 -5.00 115.64 118.54 3d5q s THR 122 Ca -0.01 1.29 -0.30 0.00 -1.21 0.00 0.00 61.69 61.46 3d5q s THR 122 Cb -0.05 -3.55 -0.10 0.00 -1.51 0.00 0.00 72.50 67.30 3d5q s THR 122 CO -0.01 -0.22 1.36 0.21 -2.21 0.00 0.00 174.62 173.75 3d5q s ASN 123 N -1.98 6.76 0.36 8.08 3.04 -1.26 -5.02 114.94 124.92 3d5q s ASN 123 Ca 0.64 2.60 0.05 0.00 0.04 0.00 0.00 52.86 56.18 3d5q s ASN 123 Cb -0.15 -2.63 -0.03 0.00 -1.54 0.00 0.00 41.25 36.91 3d5q s ASN 123 CO 0.19 -0.60 0.18 0.42 -3.04 0.00 0.00 177.10 174.25 3d5q s THR 124 N -0.30 0.34 0.15 -5.21 -4.23 -1.26 -5.06 115.64 100.08 3d5q s THR 124 Ca 0.56 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.12 3d5q s THR 124 Cb -0.40 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.97 3d5q s THR 124 CO 0.44 0.00 -0.12 -0.44 -0.54 0.00 0.00 174.62 173.96 3d5q s SER 125 N -3.48 2.01 -0.22 3.99 0.01 -1.26 -5.08 113.70 109.66 3d5q s SER 125 Ca 0.32 -0.95 -0.29 0.00 1.31 0.00 0.00 55.95 56.33 3d5q s SER 125 Cb 0.03 -0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.18 3d5q s SER 125 CO 0.19 -0.24 1.67 -0.76 0.41 0.00 0.00 173.24 174.51 3d5q s LEU 126 N -2.98 3.86 -0.25 2.44 1.43 -1.26 -4.75 118.68 117.16 3d5q s LEU 126 Ca 0.15 1.63 -0.26 0.00 -1.03 0.00 0.00 54.13 54.63 3d5q s LEU 126 Cb -0.00 -3.53 0.08 0.00 0.03 0.00 0.00 46.19 42.76 3d5q s LEU 126 CO 0.03 -1.32 0.76 0.54 0.23 0.00 0.00 176.35 176.59 3d5q s ASN 127 N 4.57 -0.69 0.19 2.29 4.22 -0.78 -5.05 114.94 119.68 3d5q s ASN 127 Ca 0.74 1.28 -0.30 0.00 -2.14 0.00 0.00 52.86 52.43 3d5q s ASN 127 Cb -0.25 1.27 -0.08 0.00 1.28 0.00 0.00 41.25 43.46 3d5q s ASN 127 CO 0.30 -0.28 1.22 -0.76 -2.04 0.00 0.00 177.10 175.55 3d5q s LEU 128 N 0.17 4.44 -0.63 3.54 1.43 -1.26 -4.01 118.68 122.36 3d5q s LEU 128 Ca -0.01 2.27 -0.28 0.00 -1.03 0.00 0.00 54.13 55.09 3d5q s LEU 128 Cb -0.04 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.60 3d5q s LEU 128 CO 0.01 -0.40 1.20 0.12 0.23 0.00 0.00 176.35 177.51 3d5q s PHE 129 N -0.07 2.52 -0.09 0.29 5.36 -1.26 -4.84 117.98 119.88 3d5q s PHE 129 Ca 0.53 0.23 -0.06 0.00 -0.96 0.00 0.00 56.93 56.67 3d5q s PHE 129 Cb -0.33 -4.52 -0.02 0.00 -0.34 0.00 0.00 43.02 37.80 3d5q s PHE 129 CO 0.37 -1.73 -0.11 0.45 -1.46 0.00 0.00 175.22 172.74 3d5q h HIS 130 N 9.68 0.00 0.00 10.12 3.86 -2.06 -3.47 115.15 133.29 3d5q h HIS 130 Ca -0.26 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 58.80 3d5q h HIS 130 Cb 1.06 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.39 3d5q h HIS 130 CO 1.06 0.00 -0.25 -0.40 0.86 0.00 0.00 177.93 179.20 3d5q n ASP 131 N -3.87 -1.29 -3.88 2.45 5.75 -1.26 -5.02 116.55 109.44 3d5q n ASP 131 Ca -0.05 -2.07 -0.42 0.00 -0.01 0.00 0.00 54.79 52.24 3d5q n ASP 131 Cb 0.17 0.59 0.01 0.00 -1.03 0.00 0.00 41.12 40.85 3d5q n ASP 131 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3d5q n ASP 132 N -1.27 5.60 -0.05 -1.12 -0.08 -1.26 -4.76 116.55 113.62 3d5q n ASP 132 Ca -0.17 -3.20 0.00 0.00 -1.51 0.00 0.00 54.79 49.91 3d5q n ASP 132 Cb 0.82 -1.41 0.29 0.00 2.34 0.00 0.00 41.12 43.17 3d5q n ASP 132 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 3d5q h ILE 133 N 3.58 1.18 0.00 5.18 5.03 -2.00 -2.75 117.51 127.73 3d5q h ILE 133 Ca 0.36 -0.63 0.00 0.00 -0.12 0.00 0.00 64.86 64.47 3d5q h ILE 133 Cb 0.60 0.72 0.00 0.00 -3.03 0.00 0.00 36.82 35.11 3d5q h ILE 133 CO 1.54 0.24 0.00 -0.74 -0.68 0.00 0.00 178.15 178.51 3d5q h HIS 134 N 0.62 0.00 0.02 1.37 2.76 -2.00 -1.68 115.15 116.25 3d5q h HIS 134 Ca 0.15 0.00 -0.23 0.00 -2.20 0.00 0.00 60.37 58.09 3d5q h HIS 134 Cb 0.20 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.16 3d5q h HIS 134 CO 0.01 0.00 -0.98 1.25 -1.30 0.00 0.00 177.93 176.91 3d5q h HIS 135 N 0.00 0.54 -0.07 5.26 -0.00 -1.89 -2.45 115.15 116.54 3d5q h HIS 135 Ca 0.00 -0.31 -0.00 0.00 -0.00 0.00 0.00 60.37 60.05 3d5q h HIS 135 Cb 0.69 -0.06 -0.00 0.00 -0.00 0.00 0.00 27.41 28.04 3d5q h HIS 135 CO 0.00 1.15 0.03 0.28 -0.00 0.00 0.00 177.93 179.38 3d5q h VAL 136 N 0.19 1.16 -0.42 5.26 2.07 -1.27 -0.54 116.25 122.70 3d5q h VAL 136 Ca -0.08 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3d5q h VAL 136 Cb 1.63 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 3d5q h VAL 136 CO 0.17 0.13 0.23 -0.09 0.02 0.00 0.00 177.57 178.03 3d5q h ARG 137 N -0.06 0.59 0.19 1.57 2.43 -1.37 -1.23 114.38 116.51 3d5q h ARG 137 Ca 0.02 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3d5q h ARG 137 Cb 0.19 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3d5q h ARG 137 CO -0.00 0.47 -0.09 -0.22 -1.51 0.00 0.00 179.97 178.62 3d5q h LYS 138 N 0.55 -0.25 -0.80 0.20 3.64 -1.40 -1.52 116.57 116.99 3d5q h LYS 138 Ca 0.15 0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.74 3d5q h LYS 138 Cb 0.05 0.06 -0.14 0.00 -0.41 0.00 0.00 32.23 31.79 3d5q h LYS 138 CO -0.02 -0.06 0.03 0.77 -2.27 0.00 0.00 179.45 177.90 3d5q h SER 139 N -0.41 -0.33 0.35 4.20 0.02 -0.82 0.24 113.55 116.80 3d5q h SER 139 Ca -0.03 0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 3d5q h SER 139 Cb 0.31 0.35 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 3d5q h SER 139 CO 0.04 -0.20 -0.27 -0.03 -1.14 0.00 0.00 176.83 175.24 3d5q h MET 140 N 0.11 0.00 0.01 3.45 1.85 -0.53 0.61 114.93 120.43 3d5q h MET 140 Ca 0.45 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.54 3d5q h MET 140 Cb 0.83 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.86 3d5q h MET 140 CO -0.70 0.27 -0.01 0.93 -0.40 0.00 0.00 176.91 177.00 3d5q h GLU 141 N 0.00 -0.02 0.48 0.39 4.39 0.36 -0.61 114.58 119.57 3d5q h GLU 141 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3d5q h GLU 141 Cb 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 3d5q h GLU 141 CO 0.04 0.32 -0.23 0.28 -1.16 0.00 0.00 179.01 178.25 3d5q h VAL 142 N -1.00 0.52 0.00 3.13 2.07 -0.97 0.14 116.25 120.14 3d5q h VAL 142 Ca -0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3d5q h VAL 142 Cb 0.34 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3d5q h VAL 142 CO 0.00 0.03 0.00 0.59 0.02 0.00 0.00 177.57 178.21 3d5q n ASN 143 N -5.33 0.17 0.01 0.57 3.02 0.20 -4.12 115.26 109.78 3d5q n ASN 143 Ca -0.11 0.52 0.00 0.00 -0.03 0.00 0.00 54.58 54.95 3d5q n ASN 143 Cb 0.29 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 3d5q n ASN 143 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3d5q n PHE 144 N -1.66 -0.20 -0.19 3.10 7.35 -1.16 -4.80 117.46 119.91 3d5q n PHE 144 Ca 0.06 0.03 -0.08 0.00 -0.76 0.00 0.00 57.45 56.71 3d5q n PHE 144 Cb 0.34 0.45 0.02 0.00 0.35 0.00 0.00 39.48 40.64 3d5q n PHE 144 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 3d5q h LEU 145 N 0.00 0.75 -2.03 -2.13 5.85 -0.63 -2.35 115.31 114.77 3d5q h LEU 145 Ca 0.00 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3d5q h LEU 145 Cb 0.10 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 3d5q h LEU 145 CO 0.00 0.72 0.00 0.77 -0.34 0.00 0.00 178.44 179.60 3d5q h SER 146 N 0.73 0.00 -0.30 1.25 4.64 -0.89 -1.11 113.55 117.87 3d5q h SER 146 Ca 0.18 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.42 3d5q h SER 146 Cb 0.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3d5q h SER 146 CO -0.01 0.00 -0.13 1.88 -0.87 0.00 0.00 176.83 177.69 3d5q h TYR 147 N 0.00 0.72 -0.65 4.77 -1.99 -1.66 0.12 116.97 118.28 3d5q h TYR 147 Ca 0.00 -0.17 -0.06 0.00 2.00 0.00 0.00 58.73 60.50 3d5q h TYR 147 Cb 0.01 -0.17 -0.03 0.00 2.00 0.00 0.00 36.73 38.55 3d5q h TYR 147 CO 0.00 0.85 0.18 0.28 -0.00 0.00 0.00 178.16 179.46 3d5q h VAL 148 N 0.38 1.25 0.04 -2.88 2.07 -0.86 -0.68 116.25 115.57 3d5q h VAL 148 Ca 0.07 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 3d5q h VAL 148 Cb 0.65 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3d5q h VAL 148 CO 0.04 0.34 -0.02 0.58 0.02 0.00 0.00 177.57 178.53 3d5q h VAL 149 N 0.96 1.32 -0.66 2.57 2.07 -0.97 0.73 116.25 122.28 3d5q h VAL 149 Ca 0.21 -1.25 0.12 0.00 0.82 0.00 0.00 66.70 66.60 3d5q h VAL 149 Cb 0.31 2.14 -0.09 0.00 -1.52 0.00 0.00 31.29 32.14 3d5q h VAL 149 CO -0.00 0.31 0.21 -0.07 0.02 0.00 0.00 177.57 178.04 3d5q h LEU 150 N -0.61 0.15 0.23 2.57 3.38 -0.73 -1.42 115.31 118.88 3d5q h LEU 150 Ca -0.01 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3d5q h LEU 150 Cb 0.55 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3d5q h LEU 150 CO 0.01 0.07 -0.21 0.74 0.09 0.00 0.00 178.44 179.14 3d5q h THR 151 N 0.36 0.54 -0.82 0.22 2.02 -0.92 -0.43 112.91 113.88 3d5q h THR 151 Ca 0.35 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.62 3d5q h THR 151 Cb 0.51 0.54 -0.06 0.00 -1.74 0.00 0.00 68.15 67.40 3d5q h THR 151 CO -0.38 0.00 0.53 0.58 0.37 0.00 0.00 175.52 176.62 3d5q h VAL 152 N -0.46 0.97 0.00 3.16 2.07 -0.10 0.15 116.25 122.04 3d5q h VAL 152 Ca -0.01 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 3d5q h VAL 152 Cb 0.43 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3d5q h VAL 152 CO -0.04 0.15 -0.45 0.00 0.02 0.00 0.00 177.57 177.25 3d5q h ALA 153 N 1.58 0.79 -0.01 1.67 0.00 -0.75 -3.17 119.26 119.37 3d5q h ALA 153 Ca 0.37 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3d5q h ALA 153 Cb 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3d5q h ALA 153 CO -0.14 0.56 -0.29 0.00 0.00 0.00 0.00 179.25 179.37 3d5q n ALA 154 N -2.24 3.13 0.04 0.00 0.00 0.42 -4.50 120.51 117.36 3d5q n ALA 154 Ca 0.01 -0.36 -0.12 0.00 0.00 0.00 0.00 53.44 52.97 3d5q n ALA 154 Cb 0.65 -1.17 -0.09 0.00 0.00 0.00 0.00 19.45 18.84 3d5q n ALA 154 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3d5q h LEU 155 N 0.80 -0.14 -1.37 0.00 5.85 -1.29 -2.38 115.31 116.78 3d5q h LEU 155 Ca 0.00 -0.40 0.16 0.00 0.84 0.00 0.00 57.88 58.48 3d5q h LEU 155 Cb 0.48 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.48 3d5q h LEU 155 CO 0.00 0.38 0.57 -0.65 -0.34 0.00 0.00 178.44 178.40 3d5q h PRO 156 N -0.71 0.57 0.02 5.25 0.11 -1.81 0.70 132.00 136.12 3d5q h PRO 156 Ca -0.02 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 65.83 3d5q h PRO 156 Cb 0.53 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 3d5q h PRO 156 CO 0.03 0.38 -0.96 0.52 -0.21 0.00 0.00 178.00 177.75 3d5q h MET 157 N 0.59 0.33 0.00 1.05 2.86 -1.85 -1.44 114.93 116.47 3d5q h MET 157 Ca 0.45 -0.38 -0.10 0.00 -2.06 0.00 0.00 59.70 57.61 3d5q h MET 157 Cb 0.86 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 3d5q h MET 157 CO -0.20 1.08 -0.46 -0.07 1.06 0.00 0.00 176.91 178.33 3d5q h LEU 158 N 0.18 0.00 -0.38 1.22 3.38 -0.76 -1.11 115.31 117.84 3d5q h LEU 158 Ca -0.08 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 3d5q h LEU 158 Cb 1.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 3d5q h LEU 158 CO 0.16 0.46 -0.33 0.11 0.09 0.00 0.00 178.44 178.93 3d5q h LYS 159 N 0.00 0.90 -0.09 1.13 1.57 -0.79 2.43 116.57 121.73 3d5q h LYS 159 Ca -0.00 -0.46 0.01 0.00 -1.87 0.00 0.00 60.65 58.33 3d5q h LYS 159 Cb 0.87 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 3d5q h LYS 159 CO 0.06 1.11 -0.19 0.37 -0.57 0.00 0.00 179.45 180.23 3d5q h GLN 160 N 0.71 -0.16 -0.12 3.15 5.75 -0.80 -2.79 115.11 120.85 3d5q h GLN 160 Ca 0.07 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.58 3d5q h GLN 160 Cb 0.92 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.51 3d5q h GLN 160 CO 0.08 -0.11 0.00 -1.13 -2.65 0.00 0.00 178.83 175.03 3d5q n SER 161 N -3.56 0.12 -4.25 -0.69 3.41 -0.46 -4.79 113.62 103.39 3d5q n SER 161 Ca -0.02 -1.67 -0.32 0.00 -0.26 0.00 0.00 58.87 56.60 3d5q n SER 161 Cb 0.12 -0.06 -0.08 0.00 -0.26 0.00 0.00 64.21 63.93 3d5q n SER 161 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3d5q n ASN 162 N -0.42 0.30 -2.27 4.04 5.03 -0.64 -4.90 115.26 116.40 3d5q n ASN 162 Ca 0.00 -1.25 0.00 0.00 0.87 0.00 0.00 54.58 54.20 3d5q n ASN 162 Cb 0.03 -1.77 0.00 0.00 -1.02 0.00 0.00 39.78 37.02 3d5q n ASN 162 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3d5q n GLY 163 N -2.47 -0.64 2.97 7.41 0.00 0.81 -4.76 105.19 108.50 3d5q n GLY 163 Ca -0.31 -1.70 -0.15 0.00 0.00 0.00 0.00 46.02 43.86 3d5q n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d5q s SER 164 N -1.00 0.61 -0.19 1.61 0.01 0.34 -1.94 113.70 113.14 3d5q s SER 164 Ca 0.00 -0.15 -0.03 0.00 1.31 0.00 0.00 55.95 57.09 3d5q s SER 164 Cb 0.00 -0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.17 3d5q s SER 164 CO 0.00 0.03 -0.07 -0.63 0.41 0.00 0.00 173.24 172.98 3d5q s ILE 165 N -0.28 3.33 -0.20 1.44 1.01 0.01 0.31 121.20 126.82 3d5q s ILE 165 Ca 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 60.10 3d5q s ILE 165 Cb -0.03 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 39.96 3d5q s ILE 165 CO -0.00 0.46 -0.10 -0.69 0.00 0.00 0.00 174.94 174.61 3d5q s VAL 166 N 1.02 2.94 -0.29 2.92 1.01 0.25 -0.97 120.40 127.28 3d5q s VAL 166 Ca -0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 3d5q s VAL 166 Cb -0.15 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.95 3d5q s VAL 166 CO -0.00 0.46 0.04 -0.69 0.00 0.00 0.00 175.10 174.91 3d5q s VAL 167 N 1.38 3.51 -0.28 2.92 1.01 0.34 -0.20 120.40 129.09 3d5q s VAL 167 Ca 0.05 -0.95 -0.25 0.00 0.00 0.00 0.00 61.98 60.83 3d5q s VAL 167 Cb -0.14 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.38 3d5q s VAL 167 CO -0.06 0.04 0.84 -0.69 0.00 0.00 0.00 175.10 175.23 3d5q s VAL 168 N 1.40 4.78 0.00 2.92 1.01 -0.79 0.77 120.40 130.49 3d5q s VAL 168 Ca 0.00 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.41 3d5q s VAL 168 Cb -0.18 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.04 3d5q s VAL 168 CO 0.00 -0.20 0.00 -0.24 0.00 0.00 0.00 175.10 174.67 3d5q n SER 169 N 6.19 0.74 -3.56 3.32 2.88 0.45 -4.87 113.62 118.77 3d5q n SER 169 Ca 0.06 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.50 3d5q n SER 169 Cb 0.48 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.92 3d5q n SER 169 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3d5q s SER 170 N 1.00 0.02 0.28 -3.46 1.04 -1.21 -3.20 113.70 108.17 3d5q s SER 170 Ca 0.00 -0.97 0.01 0.00 0.48 0.00 0.00 55.95 55.48 3d5q s SER 170 Cb 0.00 0.71 0.62 0.00 0.10 0.00 0.00 66.02 67.46 3d5q s SER 170 CO 0.00 -1.38 1.73 -0.07 0.98 0.00 0.00 173.24 174.51 3d5q h LEU 171 N 2.09 0.44 0.00 2.42 3.38 -1.75 0.28 115.31 122.17 3d5q h LEU 171 Ca -0.26 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3d5q h LEU 171 Cb 1.25 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3d5q h LEU 171 CO 0.33 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.98 3d5q n ALA 172 N -2.45 1.86 0.12 1.53 0.00 -1.26 0.95 120.51 121.25 3d5q n ALA 172 Ca 0.19 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.65 3d5q n ALA 172 Cb 0.54 -1.12 0.13 0.00 0.00 0.00 0.00 19.45 18.99 3d5q n ALA 172 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d5q n GLY 173 N -0.31 1.47 0.00 0.00 0.00 0.97 -4.39 105.19 102.92 3d5q n GLY 173 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3d5q n GLY 173 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d5q n LYS 174 N 0.72 3.58 -4.11 1.61 4.76 0.27 -4.29 118.16 120.69 3d5q n LYS 174 Ca 0.11 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.45 3d5q n LYS 174 Cb 0.40 -0.96 -0.09 0.00 -1.84 0.00 0.00 35.03 32.54 3d5q n LYS 174 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3d5q s VAL 175 N -1.91 0.09 0.30 -0.18 -7.23 -0.38 -5.13 120.40 105.95 3d5q s VAL 175 Ca 0.00 -1.80 -0.18 0.00 -1.81 0.00 0.00 61.98 58.19 3d5q s VAL 175 Cb 0.00 -2.03 -0.09 0.00 0.56 0.00 0.00 36.38 34.82 3d5q s VAL 175 CO 0.00 -0.39 0.77 0.00 -0.31 0.00 0.00 175.10 175.17 3d5q s ALA 176 N -4.04 3.32 0.07 1.32 0.00 -1.26 -4.44 121.76 116.73 3d5q s ALA 176 Ca 0.24 0.16 -0.15 0.00 0.00 0.00 0.00 51.96 52.21 3d5q s ALA 176 Cb 0.06 -2.86 0.03 0.00 0.00 0.00 0.00 23.12 20.35 3d5q s ALA 176 CO 0.02 0.30 0.35 -0.47 0.00 0.00 0.00 175.76 175.96 3d5q s TYR 177 N -1.81 -0.15 0.26 0.00 6.04 -1.26 -5.04 117.35 115.39 3d5q s TYR 177 Ca 0.51 -0.04 0.05 0.00 0.04 0.00 0.00 57.07 57.63 3d5q s TYR 177 Cb -0.13 0.16 -0.03 0.00 -1.04 0.00 0.00 41.96 40.92 3d5q s TYR 177 CO 0.19 -0.58 0.38 -1.25 -1.54 0.00 0.00 175.55 172.75 3d5q s PRO 178 N -2.98 3.37 0.00 4.97 0.04 -1.26 -4.42 135.00 134.72 3d5q s PRO 178 Ca -0.02 -0.82 0.00 0.00 0.04 0.00 0.00 61.00 60.20 3d5q s PRO 178 Cb 0.00 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.67 3d5q s PRO 178 CO -0.06 0.35 0.00 -1.33 0.04 0.00 0.00 177.00 176.00 3d5q n MET 179 N -1.46 0.00 -2.73 4.56 2.81 -1.26 -4.88 117.12 114.17 3d5q n MET 179 Ca -0.07 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.77 3d5q n MET 179 Cb 0.57 -2.11 0.06 0.00 -0.71 0.00 0.00 33.22 31.03 3d5q n MET 179 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 3d5q n VAL 180 N -2.00 0.84 -0.09 2.03 0.24 -1.26 -1.86 118.33 116.23 3d5q n VAL 180 Ca 0.00 -2.58 -0.11 0.00 -2.04 0.00 0.00 64.34 59.62 3d5q n VAL 180 Cb 0.00 0.96 -0.04 0.00 -1.47 0.00 0.00 33.84 33.30 3d5q n VAL 180 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d5q h ALA 181 N 2.52 0.35 -0.14 2.33 0.00 -1.86 -1.23 119.26 121.23 3d5q h ALA 181 Ca -0.18 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3d5q h ALA 181 Cb 1.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3d5q h ALA 181 CO 0.24 0.03 0.08 0.00 0.00 0.00 0.00 179.25 179.60 3d5q h ALA 182 N 0.87 0.17 0.08 0.00 0.00 -1.94 -0.17 119.26 118.26 3d5q h ALA 182 Ca 0.08 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3d5q h ALA 182 Cb 0.32 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3d5q h ALA 182 CO 0.00 -0.36 -0.36 -0.92 0.00 0.00 0.00 179.25 177.62 3d5q h TYR 183 N 0.16 -1.00 -0.79 0.00 3.20 -1.92 -2.42 116.97 114.21 3d5q h TYR 183 Ca 0.05 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 3d5q h TYR 183 Cb -0.01 0.43 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 3d5q h TYR 183 CO -0.08 -0.46 0.49 1.03 -1.64 0.00 0.00 178.16 177.50 3d5q h SER 184 N -0.56 0.93 -0.68 -2.11 0.87 -1.10 -0.40 113.55 110.49 3d5q h SER 184 Ca 0.04 -0.04 0.06 0.00 -1.23 0.00 0.00 61.79 60.61 3d5q h SER 184 Cb 0.61 -0.23 -0.06 0.00 -0.44 0.00 0.00 62.40 62.28 3d5q h SER 184 CO -0.24 0.70 0.38 0.00 -0.53 0.00 0.00 176.83 177.14 3d5q h ALA 185 N 1.46 0.91 -0.03 6.23 0.00 -0.69 0.64 119.26 127.78 3d5q h ALA 185 Ca 0.28 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 3d5q h ALA 185 Cb -0.07 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.60 3d5q h ALA 185 CO -0.06 0.06 -0.52 0.66 0.00 0.00 0.00 179.25 179.39 3d5q h SER 186 N 0.70 0.52 -0.58 0.00 4.64 -0.87 -2.14 113.55 115.82 3d5q h SER 186 Ca 0.30 -0.72 -0.01 0.00 -0.47 0.00 0.00 61.79 60.89 3d5q h SER 186 Cb 0.19 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.10 3d5q h SER 186 CO -0.18 1.16 0.31 0.11 -0.87 0.00 0.00 176.83 177.36 3d5q h LYS 187 N -0.08 0.80 -0.35 4.77 1.79 -0.92 -0.96 116.57 121.62 3d5q h LYS 187 Ca -0.06 -0.10 0.01 0.00 -2.18 0.00 0.00 60.65 58.33 3d5q h LYS 187 Cb 1.21 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.69 3d5q h LYS 187 CO 0.10 0.62 0.23 0.74 -1.08 0.00 0.00 179.45 180.06 3d5q h PHE 188 N 0.78 0.40 -0.37 -1.35 0.04 0.28 -2.64 116.94 114.09 3d5q h PHE 188 Ca 0.20 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.91 3d5q h PHE 188 Cb 0.05 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 3d5q h PHE 188 CO -0.01 0.25 -0.06 0.00 -0.60 0.00 0.00 178.31 177.89 3d5q h ALA 189 N 1.79 0.51 -0.40 2.45 0.00 -0.50 -2.43 119.26 120.68 3d5q h ALA 189 Ca 0.13 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.84 3d5q h ALA 189 Cb 0.01 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.58 3d5q h ALA 189 CO -0.03 0.34 -0.17 -0.07 0.00 0.00 0.00 179.25 179.32 3d5q h LEU 190 N 0.50 -0.58 0.13 0.00 3.38 -1.00 -0.41 115.31 117.33 3d5q h LEU 190 Ca 0.10 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.23 3d5q h LEU 190 Cb 0.56 0.33 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 3d5q h LEU 190 CO 0.03 -0.20 -0.47 -0.78 0.09 0.00 0.00 178.44 177.10 3d5q h ASP 191 N -0.09 -1.40 -0.45 -0.43 3.58 -1.44 0.23 116.42 116.41 3d5q h ASP 191 Ca 0.20 0.15 0.09 0.00 0.42 0.00 0.00 57.03 57.89 3d5q h ASP 191 Cb 0.39 0.52 -0.08 0.00 1.72 0.00 0.00 39.33 41.89 3d5q h ASP 191 CO -0.46 -0.53 -0.03 1.23 -2.88 0.00 0.00 179.24 176.57 3d5q h GLY 192 N -0.71 0.43 0.48 -0.78 0.00 -0.87 -1.02 103.07 100.60 3d5q h GLY 192 Ca 0.01 0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 3d5q h GLY 192 CO -0.26 -0.14 -0.15 -2.75 0.00 0.00 0.00 176.54 173.24 3d5q h PHE 193 N 0.08 0.20 -0.06 5.60 3.04 -0.82 -2.70 116.94 122.28 3d5q h PHE 193 Ca 0.22 -0.09 -0.15 0.00 3.98 0.00 0.00 57.97 61.93 3d5q h PHE 193 Cb 0.34 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 3d5q h PHE 193 CO -0.32 0.81 -0.64 0.74 -2.02 0.00 0.00 178.31 176.88 3d5q h PHE 194 N -0.46 0.31 -0.36 0.41 -1.00 -0.50 -0.41 116.94 114.93 3d5q h PHE 194 Ca -0.01 -0.12 -0.02 0.00 2.81 0.00 0.00 57.97 60.63 3d5q h PHE 194 Cb 0.83 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 40.32 3d5q h PHE 194 CO 0.15 0.81 0.15 0.77 -1.61 0.00 0.00 178.31 178.58 3d5q h SER 195 N 0.17 0.49 -0.55 2.17 0.02 -1.27 0.75 113.55 115.32 3d5q h SER 195 Ca -0.01 -0.15 -0.10 0.00 -0.84 0.00 0.00 61.79 60.68 3d5q h SER 195 Cb 1.16 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 3d5q h SER 195 CO 0.10 0.50 -0.06 -1.28 -1.14 0.00 0.00 176.83 174.95 3d5q h SER 196 N 0.44 1.00 -0.68 3.07 0.87 -1.40 -1.62 113.55 115.23 3d5q h SER 196 Ca 0.12 -0.33 -0.02 0.00 -1.23 0.00 0.00 61.79 60.33 3d5q h SER 196 Cb 0.16 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 3d5q h SER 196 CO -0.01 1.10 0.35 0.40 -0.53 0.00 0.00 176.83 178.14 3d5q h ILE 197 N 0.89 1.22 -0.26 2.23 1.08 -0.82 -2.07 117.51 119.77 3d5q h ILE 197 Ca 0.15 -0.59 0.06 0.00 -0.39 0.00 0.00 64.86 64.09 3d5q h ILE 197 Cb 0.62 0.36 -0.07 0.00 -3.07 0.00 0.00 36.82 34.65 3d5q h ILE 197 CO 0.04 0.25 -0.25 -0.09 -0.69 0.00 0.00 178.15 177.41 3d5q h ARG 198 N 0.94 -0.24 -0.42 2.37 2.43 0.14 0.74 114.38 120.35 3d5q h ARG 198 Ca 0.24 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.51 3d5q h ARG 198 Cb 0.08 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.61 3d5q h ARG 198 CO -0.03 -0.16 -0.06 0.87 -1.51 0.00 0.00 179.97 179.08 3d5q h LYS 199 N -0.25 0.04 -0.42 0.20 1.79 -1.07 -0.20 116.57 116.67 3d5q h LYS 199 Ca 0.14 -0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.70 3d5q h LYS 199 Cb 0.47 -0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 31.02 3d5q h LYS 199 CO -0.40 0.03 -0.21 0.93 -1.08 0.00 0.00 179.45 178.71 3d5q h GLU 200 N 0.04 -0.13 -0.08 3.15 5.08 -0.21 0.22 114.58 122.65 3d5q h GLU 200 Ca 0.21 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 3d5q h GLU 200 Cb 0.31 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3d5q h GLU 200 CO -0.40 -0.09 -0.22 1.88 -1.00 0.00 0.00 179.01 179.19 3d5q h TYR 201 N -0.14 0.14 0.00 4.33 0.05 -0.34 -2.37 116.97 118.64 3d5q h TYR 201 Ca 0.20 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.96 3d5q h TYR 201 Cb 0.45 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.15 3d5q h TYR 201 CO -0.46 0.35 0.00 0.45 -1.05 0.00 0.00 178.16 177.45 3d5q n SER 202 N -4.23 0.35 0.00 3.88 2.88 0.77 -1.57 113.62 115.70 3d5q n SER 202 Ca -0.01 -0.78 0.00 0.00 -1.33 0.00 0.00 58.87 56.75 3d5q n SER 202 Cb 0.31 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 3d5q n SER 202 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3d5q n VAL 203 N 0.22 0.00 0.00 2.46 0.24 -1.02 -4.71 118.33 115.52 3d5q n VAL 203 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3d5q n VAL 203 Cb 0.09 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 3d5q n VAL 203 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3d5q n SER 204 N -1.84 0.00 -4.49 -1.34 3.41 -0.92 -4.73 113.62 103.70 3d5q n SER 204 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 3d5q n SER 204 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 3d5q n SER 204 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3d5q n ARG 205 N -0.67 -1.10 -2.81 4.33 5.12 -0.89 -4.89 116.66 115.74 3d5q n ARG 205 Ca 0.00 0.17 -0.41 0.00 -1.93 0.00 0.00 57.85 55.68 3d5q n ARG 205 Cb 0.00 -4.75 -0.04 0.00 -1.16 0.00 0.00 32.46 26.51 3d5q n ARG 205 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3d5q s VAL 206 N -3.29 4.79 -0.79 1.55 1.01 -0.61 -4.97 120.40 118.09 3d5q s VAL 206 Ca 0.80 1.90 0.00 0.00 0.00 0.00 0.00 61.98 64.68 3d5q s VAL 206 Cb -0.46 -4.25 0.35 0.00 0.00 0.00 0.00 36.38 32.03 3d5q s VAL 206 CO 1.01 0.24 1.68 -3.20 0.00 0.00 0.00 175.10 174.83 3d5q n ASN 207 N 3.45 6.61 -4.55 3.32 2.85 -1.26 -4.57 115.26 121.12 3d5q n ASN 207 Ca 0.03 -3.76 -0.36 0.00 -0.11 0.00 0.00 54.58 50.38 3d5q n ASN 207 Cb 0.50 -0.92 -0.11 0.00 1.24 0.00 0.00 39.78 40.49 3d5q n ASN 207 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3d5q s VAL 208 N -4.89 4.58 0.63 3.44 1.01 -1.26 -3.89 120.40 120.02 3d5q s VAL 208 Ca 0.47 -0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 3d5q s VAL 208 Cb 0.35 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 3d5q s VAL 208 CO -0.27 0.40 1.04 -0.94 0.00 0.00 0.00 175.10 175.33 3d5q s SER 209 N 0.99 6.04 -0.17 3.32 1.04 -0.82 -4.91 113.70 119.19 3d5q s SER 209 Ca 0.04 1.47 -0.02 0.00 0.48 0.00 0.00 55.95 57.92 3d5q s SER 209 Cb -0.14 -2.48 0.05 0.00 0.10 0.00 0.00 66.02 63.56 3d5q s SER 209 CO 0.03 -1.00 0.03 -0.63 0.98 0.00 0.00 173.24 172.65 3d5q s ILE 210 N -3.13 0.52 -0.24 -1.02 1.01 -1.26 -0.81 121.20 116.26 3d5q s ILE 210 Ca 0.56 -0.43 -0.03 0.00 0.00 0.00 0.00 60.65 60.74 3d5q s ILE 210 Cb -0.12 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.42 3d5q s ILE 210 CO 0.54 -0.11 -0.04 -0.89 0.00 0.00 0.00 174.94 174.43 3d5q s THR 211 N 1.87 3.16 -0.37 2.92 2.01 -0.14 -4.51 115.64 120.58 3d5q s THR 211 Ca 0.00 -0.79 -0.13 0.00 0.31 0.00 0.00 61.69 61.09 3d5q s THR 211 Cb -0.16 -2.53 0.01 0.00 0.01 0.00 0.00 72.50 69.82 3d5q s THR 211 CO -0.07 0.28 0.24 -0.22 -0.69 0.00 0.00 174.62 174.16 3d5q s LEU 212 N 1.40 4.72 -0.16 4.42 2.96 -0.73 0.13 118.68 131.42 3d5q s LEU 212 Ca 0.03 -0.74 -0.16 0.00 -0.22 0.00 0.00 54.13 53.04 3d5q s LEU 212 Cb -0.16 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 3d5q s LEU 212 CO -0.04 -0.34 0.37 0.00 -1.32 0.00 0.00 176.35 175.03 3d5q s VAL 214 N 0.74 3.47 -0.09 0.00 1.01 0.43 0.17 120.40 126.13 3d5q s VAL 214 Ca 0.20 -1.49 -0.00 0.00 0.00 0.00 0.00 61.98 60.69 3d5q s VAL 214 Cb -0.14 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 3d5q s VAL 214 CO 0.07 -0.33 -0.06 -0.76 0.00 0.00 0.00 175.10 174.01 3d5q s LEU 215 N 1.29 3.20 0.00 3.92 1.43 -1.19 -2.21 118.68 125.12 3d5q s LEU 215 Ca 0.00 -0.05 -0.08 0.00 -1.03 0.00 0.00 54.13 52.98 3d5q s LEU 215 Cb -0.21 -1.72 0.18 0.00 0.03 0.00 0.00 46.19 44.47 3d5q s LEU 215 CO -0.00 0.31 1.14 0.61 0.23 0.00 0.00 176.35 178.64 3d5q n GLY 216 N 2.57 -0.39 3.42 -3.19 0.00 0.99 -2.38 105.19 106.21 3d5q n GLY 216 Ca -0.18 -1.87 -0.60 0.00 0.00 0.00 0.00 46.02 43.37 3d5q n GLY 216 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3d5q n LEU 217 N 0.00 0.56 -4.47 0.99 7.94 -1.26 -4.85 117.00 115.90 3d5q n LEU 217 Ca 0.16 1.11 -0.30 0.00 -1.11 0.00 0.00 56.01 55.88 3d5q n LEU 217 Cb 0.58 -0.85 -0.12 0.00 0.53 0.00 0.00 43.42 43.56 3d5q n LEU 217 CO 0.40 -1.31 -0.50 -0.63 -1.11 0.00 0.00 177.39 174.25 3d5q s ILE 218 N 1.39 2.77 -0.88 1.96 -1.09 -1.26 -1.17 121.20 122.91 3d5q s ILE 218 Ca 0.92 -1.48 -0.07 0.00 -2.23 0.00 0.00 60.65 57.79 3d5q s ILE 218 Cb -1.31 -2.25 -0.12 0.00 -1.58 0.00 0.00 42.46 37.20 3d5q s ILE 218 CO 0.65 0.14 3.14 -0.90 -1.23 0.00 0.00 174.94 176.74 3d5q n ASP 219 N 0.92 7.18 -4.83 3.58 3.85 0.39 -4.72 116.55 122.91 3d5q n ASP 219 Ca -0.16 -2.65 -0.38 0.00 -0.71 0.00 0.00 54.79 50.89 3d5q n ASP 219 Cb 0.53 -1.46 -0.06 0.00 -1.35 0.00 0.00 41.12 38.78 3d5q n ASP 219 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3d5q s THR 220 N 0.99 4.98 0.08 2.12 -4.23 -1.26 -4.65 115.64 113.66 3d5q s THR 220 Ca 0.66 0.90 -0.15 0.00 -1.18 0.00 0.00 61.69 61.93 3d5q s THR 220 Cb 0.25 -3.74 -0.03 0.00 1.34 0.00 0.00 72.50 70.31 3d5q s THR 220 CO -0.06 0.57 0.95 1.21 -0.54 0.00 0.00 174.62 176.76 3d5q n GLU 221 N 1.78 -0.21 -0.35 3.99 4.07 -1.26 0.03 120.64 128.69 3d5q n GLU 221 Ca -0.13 0.94 0.08 0.00 -0.06 0.00 0.00 57.16 57.99 3d5q n GLU 221 Cb 0.52 -1.39 0.26 0.00 -0.06 0.00 0.00 31.44 30.77 3d5q n GLU 221 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 3d5q h THR 222 N 0.00 0.85 -0.10 6.31 2.02 -1.97 0.21 112.91 120.24 3d5q h THR 222 Ca 0.08 -0.31 -0.24 0.00 0.77 0.00 0.00 66.41 66.71 3d5q h THR 222 Cb 0.19 -0.13 0.01 0.00 -1.74 0.00 0.00 68.15 66.48 3d5q h THR 222 CO -0.44 0.17 -0.86 0.00 0.37 0.00 0.00 175.52 174.75 3d5q h ALA 223 N 1.56 0.27 -0.24 6.16 0.00 -0.85 -2.71 119.26 123.46 3d5q h ALA 223 Ca 0.51 -0.63 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 3d5q h ALA 223 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3d5q h ALA 223 CO -0.30 0.69 -0.61 0.52 0.00 0.00 0.00 179.25 179.55 3d5q h MET 224 N 0.48 0.82 0.00 0.00 2.07 0.40 -2.24 114.93 116.45 3d5q h MET 224 Ca -0.08 -0.56 0.00 0.00 -2.07 0.00 0.00 59.70 56.99 3d5q h MET 224 Cb 1.50 0.08 0.00 0.00 -1.87 0.00 0.00 31.60 31.31 3d5q h MET 224 CO 0.17 1.19 0.00 1.63 1.07 0.00 0.00 176.91 180.97 3d5q n LYS 225 N -3.98 0.41 -0.04 1.72 5.02 0.67 -3.01 118.16 118.95 3d5q n LYS 225 Ca -0.05 0.05 0.03 0.00 -2.02 0.00 0.00 58.31 56.33 3d5q n LYS 225 Cb 0.66 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 34.01 3d5q n LYS 225 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3d5q n ALA 226 N -1.24 2.33 -1.22 7.82 0.00 -0.98 -5.06 120.51 122.16 3d5q n ALA 226 Ca 0.12 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.81 3d5q n ALA 226 Cb 0.17 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.11 3d5q n ALA 226 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3d5q n VAL 227 N -2.39 0.00 -3.39 0.00 0.24 -0.88 -4.70 118.33 107.22 3d5q n VAL 227 Ca -0.13 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.83 3d5q n VAL 227 Cb 0.74 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 33.05 3d5q n VAL 227 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3d5q s GLN 234 N 1.09 3.90 -0.17 7.34 0.74 -1.26 -5.14 119.66 126.15 3d5q s GLN 234 Ca 0.00 0.39 -0.14 0.00 0.05 0.00 0.00 55.36 55.66 3d5q s GLN 234 Cb 0.00 -2.81 -0.05 0.00 1.10 0.00 0.00 33.01 31.26 3d5q s GLN 234 CO 0.00 0.41 0.29 0.00 -0.55 0.00 0.00 175.29 175.44 3d5q s ALA 235 N -1.62 3.59 0.37 1.58 0.00 -1.26 -4.56 121.76 119.86 3d5q s ALA 235 Ca 0.42 -0.51 -0.18 0.00 0.00 0.00 0.00 51.96 51.70 3d5q s ALA 235 Cb -0.13 -2.41 -0.10 0.00 0.00 0.00 0.00 23.12 20.48 3d5q s ALA 235 CO 0.20 0.01 0.83 0.00 0.00 0.00 0.00 175.76 176.80 3d5q s ALA 236 N 0.64 3.20 0.23 0.00 0.00 -0.32 -4.69 121.76 120.82 3d5q s ALA 236 Ca 0.16 0.20 -0.30 0.00 0.00 0.00 0.00 51.96 52.02 3d5q s ALA 236 Cb -0.13 -2.93 -0.09 0.00 0.00 0.00 0.00 23.12 19.97 3d5q s ALA 236 CO 0.04 0.25 1.20 -1.25 0.00 0.00 0.00 175.76 176.00 3d5q s PRO 237 N -3.06 4.50 0.26 0.00 0.04 -1.26 0.15 135.00 135.63 3d5q s PRO 237 Ca 0.57 1.92 -0.01 0.00 0.04 0.00 0.00 61.00 63.53 3d5q s PRO 237 Cb -0.10 -3.20 0.35 0.00 0.04 0.00 0.00 34.50 31.60 3d5q s PRO 237 CO 0.16 -0.04 1.74 1.57 0.04 0.00 0.00 177.00 180.46 3d5q h LYS 238 N 4.64 0.68 -0.15 4.56 2.10 -1.93 -2.24 116.57 124.23 3d5q h LYS 238 Ca -0.46 -0.21 0.02 0.00 -2.00 0.00 0.00 60.65 58.00 3d5q h LYS 238 Cb 1.21 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 32.46 3d5q h LYS 238 CO 0.72 0.77 0.02 1.49 -2.00 0.00 0.00 179.45 180.44 3d5q h GLU 239 N 0.63 0.07 -0.01 0.07 4.81 -1.95 0.61 114.58 118.82 3d5q h GLU 239 Ca 0.11 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.18 3d5q h GLU 239 Cb 0.54 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 3d5q h GLU 239 CO 0.03 0.05 -0.71 1.49 -0.73 0.00 0.00 179.01 179.14 3d5q h GLU 240 N 0.07 0.06 -0.10 1.92 4.81 -1.97 -3.16 114.58 116.21 3d5q h GLU 240 Ca 0.07 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3d5q h GLU 240 Cb 0.07 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 3d5q h GLU 240 CO -0.10 0.74 0.06 0.00 -0.73 0.00 0.00 179.01 178.98 3d5q h ALA 242 N 0.98 0.20 -0.71 0.00 0.00 -0.89 -2.03 119.26 116.81 3d5q h ALA 242 Ca 0.04 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3d5q h ALA 242 Cb 0.05 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3d5q h ALA 242 CO -0.01 -0.43 0.39 1.25 0.00 0.00 0.00 179.25 180.45 3d5q h LEU 243 N 0.06 0.88 -1.33 0.00 5.85 -1.50 -0.10 115.31 119.17 3d5q h LEU 243 Ca 0.12 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 3d5q h LEU 243 Cb 0.15 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3d5q h LEU 243 CO -0.20 0.71 -0.21 -0.33 -0.34 0.00 0.00 178.44 178.06 3d5q h GLU 244 N 0.99 0.18 -0.26 1.25 4.39 -0.66 0.24 114.58 120.71 3d5q h GLU 244 Ca 0.25 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.77 3d5q h GLU 244 Cb 0.03 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3d5q h GLU 244 CO -0.04 0.40 -0.33 0.82 -1.16 0.00 0.00 179.01 178.69 3d5q h ILE 245 N 0.17 1.31 -0.67 3.13 2.04 -0.38 -2.21 117.51 120.89 3d5q h ILE 245 Ca 0.03 -1.52 -0.06 0.00 1.00 0.00 0.00 64.86 64.31 3d5q h ILE 245 Cb 0.48 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 3d5q h ILE 245 CO 0.03 0.48 0.19 0.40 0.00 0.00 0.00 178.15 179.25 3d5q h ILE 246 N 0.41 1.26 0.17 -0.67 2.04 -0.79 -2.30 117.51 117.62 3d5q h ILE 246 Ca 0.03 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 64.99 3d5q h ILE 246 Cb 0.91 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3d5q h ILE 246 CO 0.08 0.35 -0.22 0.11 0.00 0.00 0.00 178.15 178.46 3d5q h LYS 247 N 1.00 -0.43 -0.97 2.37 1.57 -0.45 -1.01 116.57 118.64 3d5q h LYS 247 Ca 0.21 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 59.10 3d5q h LYS 247 Cb 0.33 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.67 3d5q h LYS 247 CO -0.00 -0.29 0.62 0.78 -0.57 0.00 0.00 179.45 179.99 3d5q h GLY 248 N -0.45 1.47 0.92 3.86 0.00 -1.28 0.34 103.07 107.93 3d5q h GLY 248 Ca 0.01 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 46.83 3d5q h GLY 248 CO -0.09 0.28 -0.08 -1.33 0.00 0.00 0.00 176.54 175.32 3d5q h GLY 249 N 1.08 0.70 1.48 4.60 0.00 -1.09 0.13 103.07 109.97 3d5q h GLY 249 Ca 0.43 -0.58 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 3d5q h GLY 249 CO -0.18 0.53 -0.29 0.00 0.00 0.00 0.00 176.54 176.59 3d5q h ALA 250 N 0.81 0.95 0.00 3.60 0.00 -0.53 -1.89 119.26 122.21 3d5q h ALA 250 Ca 0.09 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3d5q h ALA 250 Cb 0.58 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3d5q h ALA 250 CO 0.03 0.61 0.00 1.28 0.00 0.00 0.00 179.25 181.17 3d5q n LEU 251 N -4.09 0.00 -3.33 0.00 4.77 0.05 -4.88 117.00 109.52 3d5q n LEU 251 Ca -0.01 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.74 3d5q n LEU 251 Cb 0.45 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.55 3d5q n LEU 251 CO 0.44 0.00 -0.01 0.54 -1.33 0.00 0.00 177.39 177.03 3d5q n ARG 252 N -0.74 -4.06 -2.57 3.23 1.74 -0.71 -3.33 116.66 110.22 3d5q n ARG 252 Ca 0.11 0.61 -0.36 0.00 -0.77 0.00 0.00 57.85 57.44 3d5q n ARG 252 Cb 0.05 -5.38 -0.04 0.00 -1.02 0.00 0.00 32.46 26.07 3d5q n ARG 252 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3d5q s GLN 253 N -5.99 4.11 0.11 5.56 -0.21 0.44 -4.69 119.66 118.99 3d5q s GLN 253 Ca 0.40 1.45 -0.16 0.00 0.02 0.00 0.00 55.36 57.08 3d5q s GLN 253 Cb -0.20 -2.44 -0.04 0.00 1.00 0.00 0.00 33.01 31.33 3d5q s GLN 253 CO 0.50 -0.18 1.57 0.93 -2.12 0.00 0.00 175.29 175.99 3d5q h GLU 254 N 2.30 0.61 -3.92 2.91 5.08 -1.88 -3.36 114.58 116.33 3d5q h GLU 254 Ca -0.48 -0.19 -0.21 0.00 -1.00 0.00 0.00 59.36 57.48 3d5q h GLU 254 Cb 1.21 -0.06 -0.25 0.00 0.50 0.00 0.00 28.75 30.16 3d5q h GLU 254 CO 0.62 0.72 -0.71 -1.21 -1.00 0.00 0.00 179.01 177.42 3d5q s GLU 255 N -5.05 0.19 0.01 2.33 2.02 -1.26 -1.77 118.70 115.17 3d5q s GLU 255 Ca -0.13 -0.31 0.08 0.00 0.02 0.00 0.00 54.97 54.63 3d5q s GLU 255 Cb 0.09 0.00 -0.02 0.00 0.10 0.00 0.00 34.13 34.30 3d5q s GLU 255 CO 0.77 -0.01 -0.25 0.08 0.02 0.00 0.00 175.26 175.87 3d5q s VAL 256 N -0.71 2.01 0.07 2.63 1.01 -0.91 -4.92 120.40 119.57 3d5q s VAL 256 Ca -0.07 -1.19 0.09 0.00 0.00 0.00 0.00 61.98 60.81 3d5q s VAL 256 Cb -0.05 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 3d5q s VAL 256 CO -0.00 0.47 -0.25 -0.31 0.00 0.00 0.00 175.10 175.00 3d5q s TYR 257 N -0.68 2.21 -0.30 5.22 4.12 -1.26 -0.43 117.35 126.24 3d5q s TYR 257 Ca 0.10 -0.40 -0.11 0.00 0.02 0.00 0.00 57.07 56.68 3d5q s TYR 257 Cb -0.10 -1.29 0.15 0.00 -1.52 0.00 0.00 41.96 39.20 3d5q s TYR 257 CO 0.00 0.17 0.77 -0.47 0.02 0.00 0.00 175.55 176.05 3d5q s TYR 258 N -0.88 -1.13 -0.12 2.71 6.14 -0.94 -4.96 117.35 118.18 3d5q s TYR 258 Ca 0.11 1.85 -0.24 0.00 0.64 0.00 0.00 57.07 59.43 3d5q s TYR 258 Cb -0.10 0.64 0.06 0.00 0.42 0.00 0.00 41.96 42.98 3d5q s TYR 258 CO 0.03 -0.57 0.59 0.34 0.64 0.00 0.00 175.55 176.58 3d5q s ASP 259 N 2.75 -0.57 0.61 4.32 -1.08 -1.26 -0.01 116.67 121.43 3d5q s ASP 259 Ca -0.02 0.82 0.27 0.00 -0.52 0.00 0.00 52.55 53.10 3d5q s ASP 259 Cb -0.10 0.79 1.19 0.00 -1.46 0.00 0.00 42.92 43.34 3d5q s ASP 259 CO -0.18 -0.42 1.60 0.28 0.52 0.00 0.00 175.17 176.97 3d5q h SER 260 N 4.05 0.00 -3.55 -0.34 0.02 -1.81 -3.40 113.55 108.51 3d5q h SER 260 Ca -0.28 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.00 3d5q h SER 260 Cb 1.16 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.47 3d5q h SER 260 CO 0.28 0.00 -0.72 -0.55 -1.14 0.00 0.00 176.83 174.70 3d5q s SER 261 N -4.29 4.36 0.14 3.07 0.15 -1.26 -4.99 113.70 110.88 3d5q s SER 261 Ca -0.03 -0.17 -0.07 0.00 0.70 0.00 0.00 55.95 56.37 3d5q s SER 261 Cb 0.14 -1.38 -0.04 0.00 -1.71 0.00 0.00 66.02 63.04 3d5q s SER 261 CO 0.47 0.26 1.39 0.25 1.20 0.00 0.00 173.24 176.81 3d5q h LEU 262 N 6.03 0.73 -0.41 3.45 6.46 -2.01 -2.82 115.31 126.74 3d5q h LEU 262 Ca -0.37 -0.46 0.08 0.00 -0.12 0.00 0.00 57.88 57.00 3d5q h LEU 262 Cb 1.19 -0.22 -0.09 0.00 -0.73 0.00 0.00 40.66 40.81 3d5q h LEU 262 CO 0.55 1.23 -0.34 -0.50 -0.62 0.00 0.00 178.44 178.77 3d5q h TRP 263 N 0.44 -0.94 -0.41 1.25 6.55 -1.96 -1.86 115.95 119.02 3d5q h TRP 263 Ca -0.03 0.06 0.08 0.00 0.95 0.00 0.00 58.89 59.95 3d5q h TRP 263 Cb 1.31 0.47 -0.09 0.00 -0.86 0.00 0.00 29.16 29.99 3d5q h TRP 263 CO 0.06 -0.39 -0.35 1.15 -1.05 0.00 0.00 178.44 177.86 3d5q h THR 264 N -0.26 0.20 -0.28 1.49 2.02 -1.95 -3.19 112.91 110.95 3d5q h THR 264 Ca 0.17 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.24 3d5q h THR 264 Cb 0.54 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3d5q h THR 264 CO -0.55 0.00 -0.28 0.71 0.37 0.00 0.00 175.52 175.77 3d5q h THR 265 N -0.27 1.31 -0.99 3.16 1.35 -1.10 -2.69 112.91 113.67 3d5q h THR 265 Ca 0.17 -1.45 0.12 0.00 -0.55 0.00 0.00 66.41 64.70 3d5q h THR 265 Cb 0.55 1.61 -0.09 0.00 -1.73 0.00 0.00 68.15 68.50 3d5q h THR 265 CO -0.55 0.46 0.61 -0.07 -0.25 0.00 0.00 175.52 175.72 3d5q h LEU 266 N 0.41 0.89 -0.42 3.87 3.38 -1.44 -2.63 115.31 119.36 3d5q h LEU 266 Ca 0.04 0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.89 3d5q h LEU 266 Cb 0.85 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3d5q h LEU 266 CO 0.07 0.47 -0.77 -0.07 0.09 0.00 0.00 178.44 178.23 3d5q h LEU 267 N 0.96 0.29 -2.13 1.67 3.38 -1.47 -3.20 115.31 114.81 3d5q h LEU 267 Ca 0.49 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 58.34 3d5q h LEU 267 Cb 0.50 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3d5q h LEU 267 CO -0.27 0.95 0.26 -0.29 0.09 0.00 0.00 178.44 179.17 3d5q h ILE 268 N 0.15 0.54 -4.08 1.22 6.09 -1.16 -3.42 117.51 116.85 3d5q h ILE 268 Ca -0.03 0.00 -0.53 0.00 -1.37 0.00 0.00 64.86 62.93 3d5q h ILE 268 Cb 1.34 0.80 0.19 0.00 0.47 0.00 0.00 36.82 39.63 3d5q h ILE 268 CO 0.12 0.00 0.16 -1.14 -3.07 0.00 0.00 178.15 174.22 3d5q n ARG 269 N -3.94 -0.09 -3.50 2.19 0.63 -1.21 -4.99 116.66 105.75 3d5q n ARG 269 Ca 0.04 0.05 -0.29 0.00 -0.92 0.00 0.00 57.85 56.72 3d5q n ARG 269 Cb 0.40 -2.32 -0.13 0.00 0.45 0.00 0.00 32.46 30.86 3d5q n ARG 269 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 3d5q s ASN 270 N -2.25 3.15 0.11 6.15 3.84 -1.26 -5.00 114.94 119.67 3d5q s ASN 270 Ca 0.69 -2.03 -0.18 0.00 0.21 0.00 0.00 52.86 51.55 3d5q s ASN 270 Cb -0.27 -0.44 -0.05 0.00 -0.55 0.00 0.00 41.25 39.94 3d5q s ASN 270 CO 0.55 -0.33 1.65 1.55 -2.79 0.00 0.00 177.10 177.73 3d5q h PRO 271 N 7.29 0.43 -0.99 0.43 0.13 -1.96 -2.88 132.00 134.46 3d5q h PRO 271 Ca 0.00 -0.08 0.21 0.00 -0.87 0.00 0.00 66.00 65.26 3d5q h PRO 271 Cb 0.98 -0.07 -0.10 0.00 0.13 0.00 0.00 31.00 31.94 3d5q h PRO 271 CO 0.32 0.46 0.62 0.77 -0.23 0.00 0.00 178.00 179.93 3d5q h SER 272 N 0.31 0.67 -0.05 1.44 0.02 -2.01 -1.92 113.55 112.01 3d5q h SER 272 Ca 0.10 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3d5q h SER 272 Cb 0.19 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 3d5q h SER 272 CO -0.01 0.22 -0.01 -0.09 -1.14 0.00 0.00 176.83 175.81 3d5q h ARG 273 N 0.64 0.09 -0.22 3.45 2.43 -1.94 -2.77 114.38 116.06 3d5q h ARG 273 Ca 0.57 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.76 3d5q h ARG 273 Cb 1.05 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.53 3d5q h ARG 273 CO -0.34 0.40 -0.25 0.87 -1.51 0.00 0.00 179.97 179.14 3d5q h LYS 274 N -0.24 -0.26 -0.08 0.20 1.79 -1.28 -0.99 116.57 115.72 3d5q h LYS 274 Ca 0.01 0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.54 3d5q h LYS 274 Cb 0.37 0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 31.02 3d5q h LYS 274 CO 0.00 -0.17 -0.30 0.82 -1.08 0.00 0.00 179.45 178.72 3d5q h ILE 275 N -0.27 0.33 -0.53 1.86 2.04 -1.50 -0.92 117.51 118.53 3d5q h ILE 275 Ca 0.13 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.09 3d5q h ILE 275 Cb 0.47 0.33 -0.10 0.00 -0.74 0.00 0.00 36.82 36.78 3d5q h ILE 275 CO -0.37 0.00 -0.11 -0.07 0.00 0.00 0.00 178.15 177.60 3d5q h LEU 276 N -0.40 -0.44 0.02 1.44 3.38 -1.11 0.95 115.31 119.16 3d5q h LEU 276 Ca 0.08 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.23 3d5q h LEU 276 Cb 0.52 0.31 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 3d5q h LEU 276 CO -0.31 -0.16 -0.13 -0.33 0.09 0.00 0.00 178.44 177.60 3d5q h GLU 277 N 0.02 -0.23 -0.70 1.13 5.08 -0.69 0.29 114.58 119.48 3d5q h GLU 277 Ca 0.26 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.57 3d5q h GLU 277 Cb 0.40 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3d5q h GLU 277 CO -0.53 -0.15 0.18 0.35 -1.00 0.00 0.00 179.01 177.86 3d5q h PHE 278 N -0.24 1.15 -0.21 4.33 3.57 -0.32 -1.50 116.94 123.72 3d5q h PHE 278 Ca 0.04 -0.13 0.05 0.00 3.53 0.00 0.00 57.97 61.46 3d5q h PHE 278 Cb 0.28 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 3d5q h PHE 278 CO -0.18 0.93 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.65 3d5q h LEU 279 N 1.05 -0.36 -0.05 0.59 3.38 0.13 -2.09 115.31 117.96 3d5q h LEU 279 Ca 0.22 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3d5q h LEU 279 Cb 0.35 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3d5q h LEU 279 CO 0.00 -0.14 0.00 -1.22 0.09 0.00 0.00 178.44 177.17 3d5q n TYR 280 N -5.27 0.01 1.83 1.13 4.02 0.06 -5.08 117.16 113.86 3d5q n TYR 280 Ca -0.02 -0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.02 3d5q n TYR 280 Cb 0.19 0.00 0.81 0.00 -0.02 0.00 0.00 39.34 40.32 3d5q n TYR 280 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72