#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h4q n ILE 2 N 0.00 -3.25 -4.03 -0.61 5.41 -1.26 -5.13 119.36 110.49 3h4q n ILE 2 Ca 0.00 1.25 -0.10 0.00 1.00 0.00 0.00 62.75 64.90 3h4q n ILE 2 Cb 0.00 -1.86 -0.06 0.00 -0.71 0.00 0.00 39.64 37.02 3h4q n ILE 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3h4q s ARG 3 N -4.30 1.56 0.41 0.38 1.70 -0.31 -4.97 118.95 113.41 3h4q s ARG 3 Ca 0.00 -1.36 -0.25 0.00 -0.47 0.00 0.00 55.73 53.65 3h4q s ARG 3 Cb 0.00 0.45 -0.08 0.00 -0.57 0.00 0.00 34.95 34.74 3h4q s ARG 3 CO 0.00 -0.64 1.21 -0.51 -1.08 0.00 0.00 175.30 174.29 3h4q s LEU 4 N -3.06 4.19 0.59 -1.89 1.43 -1.26 -0.24 118.68 118.43 3h4q s LEU 4 Ca 0.25 2.45 -0.16 0.00 -1.03 0.00 0.00 54.13 55.64 3h4q s LEU 4 Cb 0.00 -4.00 -0.04 0.00 0.03 0.00 0.00 46.19 42.18 3h4q s LEU 4 CO 0.11 -0.76 1.06 -0.83 0.23 0.00 0.00 176.35 176.16 3h4q s GLY 5 N -1.02 2.16 0.00 -3.19 0.00 0.10 -4.71 107.32 100.66 3h4q s GLY 5 Ca 0.58 0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.72 3h4q s GLY 5 CO 0.42 0.74 0.00 0.28 0.00 0.00 0.00 173.10 174.54 3h4q n LYS 6 N -1.95 0.00 0.00 2.90 5.02 -1.26 -4.91 118.16 117.96 3h4q n LYS 6 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 3h4q n LYS 6 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 3h4q n LYS 6 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3h4q n SER 8 N 0.00 0.00 -0.28 4.39 3.41 -1.26 -3.67 113.62 116.22 3h4q n SER 8 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 3h4q n SER 8 Cb 0.00 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.26 3h4q n SER 8 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3h4q n ASP 9 N 0.00 1.17 -0.19 4.04 8.00 -1.26 -4.61 116.55 123.70 3h4q n ASP 9 Ca 0.00 -0.98 -0.04 0.00 0.71 0.00 0.00 54.79 54.48 3h4q n ASP 9 Cb 0.00 0.20 0.06 0.00 -0.02 0.00 0.00 41.12 41.36 3h4q n ASP 9 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3h4q h LEU 10 N 1.36 0.50 -1.04 0.64 3.38 -1.99 -0.40 115.31 117.76 3h4q h LEU 10 Ca 0.00 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3h4q h LEU 10 Cb 0.54 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 3h4q h LEU 10 CO 0.00 0.35 0.64 -2.24 0.09 0.00 0.00 178.44 177.28 3h4q h ASP 11 N 0.63 1.03 -0.26 -0.43 2.03 -1.95 0.18 116.42 117.65 3h4q h ASP 11 Ca 0.24 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.38 3h4q h ASP 11 Cb 0.08 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 38.36 3h4q h ASP 11 CO -0.13 0.68 -0.46 1.56 -1.03 0.00 0.00 179.24 179.86 3h4q h GLN 12 N 1.18 0.77 -0.21 4.15 4.20 -1.67 -1.66 115.11 121.86 3h4q h GLN 12 Ca 0.41 -0.48 0.03 0.00 0.06 0.00 0.00 58.65 58.68 3h4q h GLN 12 Cb 0.12 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 3h4q h GLN 12 CO -0.15 1.11 0.00 0.82 -0.67 0.00 0.00 178.83 179.94 3h4q h ILE 13 N 0.51 0.86 -0.73 2.54 2.04 -0.37 -1.17 117.51 121.19 3h4q h ILE 13 Ca 0.01 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3h4q h ILE 13 Cb 1.07 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 3h4q h ILE 13 CO 0.10 0.01 0.46 -0.07 0.00 0.00 0.00 178.15 178.66 3h4q h LEU 14 N 0.07 0.86 -1.59 1.44 3.38 -0.61 -2.06 115.31 116.79 3h4q h LEU 14 Ca 0.10 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3h4q h LEU 14 Cb 0.12 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3h4q h LEU 14 CO -0.16 0.64 -0.22 -1.13 0.09 0.00 0.00 178.44 177.66 3h4q h ASN 15 N 0.99 0.00 -0.40 -0.43 -1.24 -0.81 -1.00 115.58 112.69 3h4q h ASN 15 Ca 0.26 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 57.12 3h4q h ASN 15 Cb -0.07 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 38.97 3h4q h ASN 15 CO -0.05 0.22 -0.36 -0.07 -1.29 0.00 0.00 177.43 175.88 3h4q h LEU 16 N 0.00 1.02 0.30 0.34 3.38 -0.55 -0.97 115.31 118.82 3h4q h LEU 16 Ca -0.00 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 3h4q h LEU 16 Cb 0.42 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3h4q h LEU 16 CO 0.03 1.26 -0.14 0.58 0.09 0.00 0.00 178.44 180.25 3h4q h VAL 17 N 0.79 0.71 -0.14 1.22 2.07 -0.86 -1.11 116.25 118.93 3h4q h VAL 17 Ca 0.07 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 3h4q h VAL 17 Cb 0.95 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3h4q h VAL 17 CO 0.09 0.01 -0.03 -0.33 0.02 0.00 0.00 177.57 177.33 3h4q h GLU 18 N -0.42 0.21 -0.55 1.57 3.07 -1.20 -0.45 114.58 116.80 3h4q h GLU 18 Ca -0.04 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.72 3h4q h GLU 18 Cb 0.32 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 3h4q h GLU 18 CO 0.07 0.26 0.07 1.49 -1.40 0.00 0.00 179.01 179.50 3h4q h GLU 19 N 0.21 0.92 -0.08 2.33 4.81 -0.91 -0.74 114.58 121.11 3h4q h GLU 19 Ca 0.05 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 3h4q h GLU 19 Cb 0.20 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 3h4q h GLU 19 CO 0.01 0.90 0.05 0.00 -0.73 0.00 0.00 179.01 179.23 3h4q h ALA 20 N 0.99 0.11 -0.56 2.92 0.00 -0.13 -2.24 119.26 120.34 3h4q h ALA 20 Ca 0.16 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3h4q h ALA 20 Cb 0.43 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3h4q h ALA 20 CO 0.01 -0.37 0.30 0.87 0.00 0.00 0.00 179.25 180.07 3h4q h LYS 21 N 0.07 0.57 0.00 0.00 1.57 -0.98 -2.22 116.57 115.58 3h4q h LYS 21 Ca 0.03 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3h4q h LYS 21 Cb 0.05 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 3h4q h LYS 21 CO -0.01 0.38 -0.13 0.93 -0.57 0.00 0.00 179.45 180.05 3h4q h GLU 22 N 0.59 0.00 -1.64 3.15 3.07 -0.95 -2.96 114.58 115.83 3h4q h GLU 22 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 3h4q h GLU 22 Cb 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 3h4q h GLU 22 CO -0.15 0.13 0.00 -0.11 -1.40 0.00 0.00 179.01 177.48 3h4q n LEU 23 N -4.22 1.98 0.00 1.33 0.00 -0.84 -5.10 117.00 110.15 3h4q n LEU 23 Ca -0.02 -0.94 0.00 0.00 0.00 0.00 0.00 56.01 55.04 3h4q n LEU 23 Cb 0.20 -0.37 0.00 0.00 0.00 0.00 0.00 43.42 43.26 3h4q n LEU 23 CO 0.34 0.35 0.00 2.29 0.00 0.00 0.00 177.39 180.37 3h4q n LYS 25 N 1.05 0.00 0.00 1.96 2.85 -1.12 -5.12 118.16 117.77 3h4q n LYS 25 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3h4q n LYS 25 Cb 0.26 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.64 3h4q n LYS 25 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 3h4q n TYR 36 N 0.00 0.00 0.17 5.58 0.18 -1.26 -5.22 117.16 116.61 3h4q n TYR 36 Ca 0.00 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.90 3h4q n TYR 36 Cb 0.00 0.00 0.06 0.00 -0.38 0.00 0.00 39.34 39.02 3h4q n TYR 36 CO 0.00 0.00 0.00 -1.00 -2.08 0.00 0.00 176.86 173.78 3h4q h PRO 37 N 0.00 0.00 0.00 -3.48 0.13 -2.07 -3.37 132.00 123.21 3h4q h PRO 37 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 3h4q h PRO 37 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3h4q h PRO 37 CO 0.00 0.00 -0.36 1.37 -0.23 0.00 0.00 178.00 178.78 3h4q h LEU 38 N 0.00 0.00 -0.15 1.56 -0.00 -2.05 -2.96 115.31 111.71 3h4q h LEU 38 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 3h4q h LEU 38 Cb 0.98 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.63 3h4q h LEU 38 CO 0.00 0.36 0.07 0.25 -0.00 0.00 0.00 178.44 179.12 3h4q h LEU 39 N 0.00 0.20 -0.70 0.17 6.46 -2.00 -0.27 115.31 119.17 3h4q h LEU 39 Ca -0.00 -0.14 0.06 0.00 -0.12 0.00 0.00 57.88 57.68 3h4q h LEU 39 Cb 0.97 -0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 40.79 3h4q h LEU 39 CO 0.05 0.29 0.40 -0.33 -0.62 0.00 0.00 178.44 178.22 3h4q h GLU 40 N 0.10 0.71 -0.06 1.25 5.08 -1.77 -0.95 114.58 118.94 3h4q h GLU 40 Ca 0.05 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 3h4q h GLU 40 Cb 0.14 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3h4q h GLU 40 CO -0.01 0.47 -0.54 0.45 -1.00 0.00 0.00 179.01 178.39 3h4q h HIS 41 N 0.73 0.21 -0.24 4.33 3.86 -1.33 -2.59 115.15 120.12 3h4q h HIS 41 Ca 0.31 -0.07 -0.12 0.00 -1.16 0.00 0.00 60.37 59.33 3h4q h HIS 41 Cb 0.19 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.62 3h4q h HIS 41 CO -0.07 0.67 -0.32 0.74 0.86 0.00 0.00 177.93 179.81 3h4q h PHE 42 N 0.13 0.78 -0.89 2.45 0.04 -0.58 -1.54 116.94 117.33 3h4q h PHE 42 Ca 0.00 -0.25 0.08 0.00 2.80 0.00 0.00 57.97 60.60 3h4q h PHE 42 Cb 0.99 -0.16 -0.07 0.00 2.20 0.00 0.00 35.95 38.91 3h4q h PHE 42 CO 0.01 0.99 0.54 0.93 -0.60 0.00 0.00 178.31 180.19 3h4q h GLU 43 N 0.34 0.91 -0.43 1.51 5.08 -1.13 -0.81 114.58 120.05 3h4q h GLU 43 Ca 0.03 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 3h4q h GLU 43 Cb 0.90 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 3h4q h GLU 43 CO 0.07 0.60 0.02 0.93 -1.00 0.00 0.00 179.01 179.64 3h4q h GLU 44 N 0.94 0.75 -0.79 2.33 5.08 -1.33 -0.67 114.58 120.89 3h4q h GLU 44 Ca 0.41 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3h4q h GLU 44 Cb 0.29 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 3h4q h GLU 44 CO -0.21 0.81 0.52 -0.44 -1.00 0.00 0.00 179.01 178.69 3h4q h ASP 45 N 0.60 0.91 -0.37 1.42 3.32 -0.64 -1.65 116.42 120.01 3h4q h ASP 45 Ca 0.13 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 3h4q h ASP 45 Cb 0.46 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3h4q h ASP 45 CO 0.02 0.66 -0.15 0.40 -1.72 0.00 0.00 179.24 178.46 3h4q h ILE 46 N 1.07 1.26 0.00 0.35 2.04 -1.02 0.15 117.51 121.37 3h4q h ILE 46 Ca 0.29 -1.24 -0.07 0.00 1.00 0.00 0.00 64.86 64.84 3h4q h ILE 46 Cb -0.12 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3h4q h ILE 46 CO -0.06 0.42 -0.31 0.00 0.00 0.00 0.00 178.15 178.20 3h4q h ALA 47 N 1.09 1.33 -0.39 1.87 0.00 -0.60 -2.27 119.26 120.30 3h4q h ALA 47 Ca 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3h4q h ALA 47 Cb 0.65 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3h4q h ALA 47 CO 0.05 0.39 0.00 1.63 0.00 0.00 0.00 179.25 181.32 3h4q n LYS 48 N -3.95 2.21 -3.90 0.00 5.02 -0.67 -4.96 118.16 111.92 3h4q n LYS 48 Ca -0.02 -1.85 -0.25 0.00 -2.02 0.00 0.00 58.31 54.17 3h4q n LYS 48 Cb 0.38 -1.45 -0.01 0.00 -0.02 0.00 0.00 35.03 33.93 3h4q n LYS 48 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3h4q n ASP 49 N 1.04 -0.68 -0.45 4.39 8.00 -0.85 -4.88 116.55 123.11 3h4q n ASP 49 Ca 0.18 -0.98 0.05 0.00 0.71 0.00 0.00 54.79 54.76 3h4q n ASP 49 Cb 0.48 -3.22 0.05 0.00 -0.02 0.00 0.00 41.12 38.42 3h4q n ASP 49 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3h4q n TYR 50 N -4.37 0.03 -4.75 1.24 4.01 -0.01 -4.98 117.16 108.33 3h4q n TYR 50 Ca -0.30 -0.04 -0.33 0.00 -0.16 0.00 0.00 57.90 57.08 3h4q n TYR 50 Cb 0.68 -0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.55 3h4q n TYR 50 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3h4q s LEU 51 N -0.92 2.38 0.12 7.72 0.20 -1.25 -1.22 118.68 125.71 3h4q s LEU 51 Ca 0.14 -0.49 0.06 0.00 0.69 0.00 0.00 54.13 54.53 3h4q s LEU 51 Cb 0.09 -1.52 -0.04 0.00 -0.43 0.00 0.00 46.19 44.29 3h4q s LEU 51 CO 0.14 0.12 -0.03 -0.31 -0.29 0.00 0.00 176.35 175.98 3h4q s TYR 52 N 0.62 2.87 0.12 5.38 1.51 0.02 -0.72 117.35 127.15 3h4q s TYR 52 Ca -0.10 -0.10 0.07 0.00 -1.01 0.00 0.00 57.07 55.94 3h4q s TYR 52 Cb -0.16 -1.45 -0.04 0.00 -0.11 0.00 0.00 41.96 40.20 3h4q s TYR 52 CO 0.03 0.48 -0.17 0.14 -1.11 0.00 0.00 175.55 174.91 3h4q s VAL 53 N -1.43 1.55 -0.20 0.71 -7.23 0.66 -1.12 120.40 113.34 3h4q s VAL 53 Ca 0.25 -1.68 -0.04 0.00 -1.81 0.00 0.00 61.98 58.70 3h4q s VAL 53 Cb -0.11 -1.57 -0.02 0.00 0.56 0.00 0.00 36.38 35.24 3h4q s VAL 53 CO 0.17 -0.27 -0.02 -0.22 -0.31 0.00 0.00 175.10 174.45 3h4q s LEU 54 N -2.28 3.12 -0.03 1.32 0.20 -0.54 -1.16 118.68 119.31 3h4q s LEU 54 Ca 0.09 -0.26 0.01 0.00 0.69 0.00 0.00 54.13 54.66 3h4q s LEU 54 Cb -0.07 -1.78 0.02 0.00 -0.43 0.00 0.00 46.19 43.92 3h4q s LEU 54 CO 0.04 0.06 -0.03 -0.70 -0.29 0.00 0.00 176.35 175.43 3h4q s GLU 55 N 1.03 0.51 0.03 1.98 2.12 -1.26 -0.57 118.70 122.53 3h4q s GLU 55 Ca 0.01 -0.05 0.06 0.00 0.36 0.00 0.00 54.97 55.36 3h4q s GLU 55 Cb -0.14 -0.58 -0.02 0.00 0.26 0.00 0.00 34.13 33.64 3h4q s GLU 55 CO 0.01 -0.06 -0.18 -2.00 -0.54 0.00 0.00 175.26 172.49 3h4q s GLU 56 N 0.72 1.28 4.13 4.30 2.56 -0.57 -4.85 118.70 126.28 3h4q s GLU 56 Ca -0.08 -0.82 0.00 0.00 0.00 0.00 0.00 54.97 54.07 3h4q s GLU 56 Cb -0.11 -1.33 0.00 0.00 2.00 0.00 0.00 34.13 34.69 3h4q s GLU 56 CO -0.01 0.34 0.00 0.09 -0.56 0.00 0.00 175.26 175.13 3h4q n ASN 57 N 2.06 0.00 -0.44 -1.70 5.03 -1.26 -0.88 115.26 118.07 3h4q n ASN 57 Ca -0.17 0.00 0.14 0.00 0.87 0.00 0.00 54.58 55.42 3h4q n ASN 57 Cb 0.54 0.00 0.55 0.00 -1.02 0.00 0.00 39.78 39.85 3h4q n ASN 57 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3h4q n ASP 58 N -1.86 1.38 -4.73 6.41 5.68 -1.26 -4.95 116.55 117.22 3h4q n ASP 58 Ca 0.00 -1.47 -0.40 0.00 -0.50 0.00 0.00 54.79 52.42 3h4q n ASP 58 Cb 0.00 -0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 39.93 3h4q n ASP 58 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3h4q s LYS 59 N -1.99 4.50 -0.21 0.11 2.20 -0.06 -5.06 119.74 119.23 3h4q s LYS 59 Ca 0.39 1.08 -0.19 0.00 -0.36 0.00 0.00 55.97 56.89 3h4q s LYS 59 Cb 0.21 -3.41 -0.03 0.00 -1.51 0.00 0.00 37.83 33.08 3h4q s LYS 59 CO 0.33 0.13 0.53 0.42 -0.36 0.00 0.00 175.35 176.40 3h4q s ILE 60 N 0.47 5.09 -1.60 5.43 1.01 -1.26 -1.50 121.20 128.84 3h4q s ILE 60 Ca 0.41 0.96 0.15 0.00 0.00 0.00 0.00 60.65 62.17 3h4q s ILE 60 Cb -0.20 -3.85 0.05 0.00 0.01 0.00 0.00 42.46 38.48 3h4q s ILE 60 CO 0.22 0.16 0.88 -1.22 0.00 0.00 0.00 174.94 174.99 3h4q n TYR 61 N 4.90 0.00 0.00 3.97 4.01 0.26 -5.00 117.16 125.30 3h4q n TYR 61 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 3h4q n TYR 61 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 3h4q n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h4q n GLY 62 N 0.98 0.97 3.35 2.72 0.00 -1.24 -2.09 105.19 109.88 3h4q n GLY 62 Ca 0.07 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 3h4q n GLY 62 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h4q s PHE 63 N -2.00 0.60 -0.10 1.61 -0.71 -0.06 -1.47 117.98 115.84 3h4q s PHE 63 Ca 0.00 -0.93 -0.13 0.00 -1.04 0.00 0.00 56.93 54.83 3h4q s PHE 63 Cb 0.00 -0.14 0.03 0.00 -1.21 0.00 0.00 43.02 41.70 3h4q s PHE 63 CO 0.00 -0.75 0.34 -1.50 -1.34 0.00 0.00 175.22 171.97 3h4q s ILE 64 N -4.03 0.01 -0.16 -4.49 2.07 -0.28 -1.51 121.20 112.82 3h4q s ILE 64 Ca 0.24 -0.11 0.01 0.00 -1.41 0.00 0.00 60.65 59.38 3h4q s ILE 64 Cb 0.03 -0.52 0.01 0.00 0.13 0.00 0.00 42.46 42.11 3h4q s ILE 64 CO 0.05 -0.06 -0.19 -0.69 -1.91 0.00 0.00 174.94 172.14 3h4q s VAL 65 N -0.17 2.30 -0.01 4.00 1.01 -0.38 -0.80 120.40 126.35 3h4q s VAL 65 Ca -0.03 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 3h4q s VAL 65 Cb -0.03 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.40 3h4q s VAL 65 CO 0.01 0.53 0.02 0.54 0.00 0.00 0.00 175.10 176.20 3h4q s VAL 66 N 0.97 -0.00 0.00 2.92 0.11 -0.36 -1.32 120.40 122.72 3h4q s VAL 66 Ca -0.03 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.02 3h4q s VAL 66 Cb -0.15 -0.03 0.00 0.00 -1.53 0.00 0.00 36.38 34.67 3h4q s VAL 66 CO -0.04 0.00 0.00 -0.90 -3.33 0.00 0.00 175.10 170.83 3h4q n ASP 67 N 3.07 0.00 -0.47 3.54 5.68 -0.82 -4.67 116.55 122.89 3h4q n ASP 67 Ca -0.12 -0.62 0.05 0.00 -0.50 0.00 0.00 54.79 53.61 3h4q n ASP 67 Cb 0.60 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.72 3h4q n ASP 67 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3h4q n GLN 68 N 0.00 2.72 -2.71 0.11 6.02 -1.26 0.81 117.38 123.06 3h4q n GLN 68 Ca 0.00 -2.16 -0.43 0.00 -0.01 0.00 0.00 57.00 54.40 3h4q n GLN 68 Cb 0.00 -1.36 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 3h4q n GLN 68 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3h4q s ASP 69 N -1.44 7.04 -0.05 1.08 1.01 -1.26 -4.89 116.67 118.16 3h4q s ASP 69 Ca 0.23 1.30 -0.03 0.00 0.71 0.00 0.00 52.55 54.77 3h4q s ASP 69 Cb 0.16 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 3h4q s ASP 69 CO 0.09 -0.63 0.10 -1.10 0.21 0.00 0.00 175.17 173.83 3h4q s GLN 70 N 3.10 3.19 0.32 8.23 -0.21 -1.26 -4.81 119.66 128.22 3h4q s GLN 70 Ca 0.42 -0.36 -0.29 0.00 0.02 0.00 0.00 55.36 55.15 3h4q s GLN 70 Cb -0.15 -2.96 -0.11 0.00 1.00 0.00 0.00 33.01 30.79 3h4q s GLN 70 CO 0.06 0.69 1.50 0.00 -2.12 0.00 0.00 175.29 175.43 3h4q s ALA 71 N -1.12 3.64 0.34 6.09 0.00 -1.26 -4.89 121.76 124.56 3h4q s ALA 71 Ca 0.20 1.50 0.08 0.00 0.00 0.00 0.00 51.96 53.74 3h4q s ALA 71 Cb -0.12 -3.60 0.78 0.00 0.00 0.00 0.00 23.12 20.18 3h4q s ALA 71 CO 0.10 -0.93 1.83 0.93 0.00 0.00 0.00 175.76 177.69 3h4q h GLU 72 N 4.07 0.71 0.00 0.00 4.39 -2.03 0.06 114.58 121.78 3h4q h GLU 72 Ca -0.48 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.17 3h4q h GLU 72 Cb 1.23 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3h4q h GLU 72 CO 0.72 0.47 0.00 0.11 -1.16 0.00 0.00 179.01 179.15 3h4q h TRP 73 N 0.74 0.00 -0.86 4.33 5.08 -2.03 -2.57 115.95 120.64 3h4q h TRP 73 Ca 0.50 0.00 0.09 0.00 1.08 0.00 0.00 58.89 60.56 3h4q h TRP 73 Cb 0.79 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.89 3h4q h TRP 73 CO -0.00 0.00 0.56 1.88 -1.28 0.00 0.00 178.44 179.60 3h4q h TYR 74 N 0.00 0.92 0.00 0.12 -1.99 -1.34 -0.35 116.97 114.33 3h4q h TYR 74 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3h4q h TYR 74 Cb 0.42 -0.30 0.00 0.00 2.00 0.00 0.00 36.73 38.85 3h4q h TYR 74 CO 0.00 0.44 0.13 -0.44 -0.00 0.00 0.00 178.16 178.29 3h4q h ASP 75 N 0.86 0.00 0.17 3.88 5.19 -1.59 -1.16 116.42 123.77 3h4q h ASP 75 Ca 0.39 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.80 3h4q h ASP 75 Cb 0.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.89 3h4q h ASP 75 CO -0.16 0.00 -0.05 0.47 -3.12 0.00 0.00 179.24 176.39 3h4q n ASP 76 N -2.54 0.53 -4.70 6.45 8.00 -0.14 -4.89 116.55 119.26 3h4q n ASP 76 Ca -0.02 -0.90 -0.33 0.00 0.71 0.00 0.00 54.79 54.25 3h4q n ASP 76 Cb 0.17 -0.04 -0.08 0.00 -0.02 0.00 0.00 41.12 41.15 3h4q n ASP 76 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h4q s ILE 77 N -2.22 4.28 -1.03 0.53 1.01 -0.44 -5.05 121.20 118.28 3h4q s ILE 77 Ca 0.37 -0.56 -0.18 0.00 0.00 0.00 0.00 60.65 60.28 3h4q s ILE 77 Cb 0.21 -2.92 0.13 0.00 0.01 0.00 0.00 42.46 39.89 3h4q s ILE 77 CO 0.41 0.37 1.28 -1.81 0.00 0.00 0.00 174.94 175.19 3h4q s ASP 78 N -1.59 6.73 0.34 3.58 1.01 -1.26 -5.01 116.67 120.47 3h4q s ASP 78 Ca 0.20 -2.21 -0.26 0.00 0.71 0.00 0.00 52.55 50.99 3h4q s ASP 78 Cb -0.12 -2.43 -0.09 0.00 1.01 0.00 0.00 42.92 41.29 3h4q s ASP 78 CO 0.11 -1.05 1.07 0.26 0.21 0.00 0.00 175.17 175.76 3h4q s TRP 79 N 2.82 3.41 -1.88 4.23 0.52 -1.26 -4.95 118.94 121.83 3h4q s TRP 79 Ca 0.38 1.67 0.13 0.00 0.02 0.00 0.00 56.10 58.30 3h4q s TRP 79 Cb -0.03 -3.20 0.40 0.00 -1.15 0.00 0.00 33.47 29.49 3h4q s TRP 79 CO -0.06 -0.58 1.32 -0.35 0.02 0.00 0.00 176.95 177.29 3h4q n PRO 80 N 0.50 2.13 -4.10 4.98 -0.04 -1.26 -4.91 135.00 132.30 3h4q n PRO 80 Ca 0.02 -1.61 -0.09 0.00 -0.04 0.00 0.00 63.50 61.78 3h4q n PRO 80 Cb 0.47 -1.39 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 3h4q n PRO 80 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3h4q s VAL 81 N -1.46 0.42 0.14 0.52 0.11 -1.26 -5.13 120.40 113.73 3h4q s VAL 81 Ca 0.30 -1.64 -0.30 0.00 -2.93 0.00 0.00 61.98 57.41 3h4q s VAL 81 Cb 0.16 -1.29 -0.07 0.00 -1.53 0.00 0.00 36.38 33.66 3h4q s VAL 81 CO 0.19 -0.80 1.07 0.21 -3.33 0.00 0.00 175.10 172.44 3h4q s ASN 82 N -2.59 7.30 -0.01 3.54 3.84 -1.26 -4.96 114.94 120.80 3h4q s ASN 82 Ca 0.03 1.99 0.17 0.00 0.21 0.00 0.00 52.86 55.27 3h4q s ASN 82 Cb 0.02 -2.60 -0.24 0.00 -0.55 0.00 0.00 41.25 37.89 3h4q s ASN 82 CO -0.05 -0.22 0.52 0.54 -2.79 0.00 0.00 177.10 175.10 3h4q n ARG 83 N 2.72 0.89 -1.70 0.43 1.74 -1.26 -4.82 116.66 114.65 3h4q n ARG 83 Ca 0.03 -0.10 -0.59 0.00 -0.77 0.00 0.00 57.85 56.43 3h4q n ARG 83 Cb 0.47 -1.37 -0.08 0.00 -1.02 0.00 0.00 32.46 30.47 3h4q n ARG 83 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3h4q n GLU 84 N -1.82 0.98 -0.98 5.56 -0.58 -1.26 -0.46 120.64 122.08 3h4q n GLU 84 Ca -0.01 0.36 0.00 0.00 -0.42 0.00 0.00 57.16 57.09 3h4q n GLU 84 Cb 0.38 -2.02 0.00 0.00 -0.57 0.00 0.00 31.44 29.22 3h4q n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h4q n GLY 85 N 4.31 0.41 3.77 0.62 0.00 -1.26 -5.01 105.19 108.03 3h4q n GLY 85 Ca 0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 3h4q n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h4q s ALA 86 N -1.94 2.50 0.30 4.61 0.00 0.39 -4.96 121.76 122.66 3h4q s ALA 86 Ca 0.00 0.62 -0.05 0.00 0.00 0.00 0.00 51.96 52.53 3h4q s ALA 86 Cb 0.00 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 3h4q s ALA 86 CO 0.00 -1.20 0.56 -0.06 0.00 0.00 0.00 175.76 175.06 3h4q s PHE 87 N -2.20 3.48 -0.04 0.00 0.40 -1.05 -4.51 117.98 114.05 3h4q s PHE 87 Ca 0.69 0.63 0.00 0.00 -0.60 0.00 0.00 56.93 57.65 3h4q s PHE 87 Cb -0.22 -2.10 0.03 0.00 0.51 0.00 0.00 43.02 41.24 3h4q s PHE 87 CO 0.39 0.16 -0.02 0.08 0.70 0.00 0.00 175.22 176.53 3h4q s VAL 88 N -2.12 0.34 -0.38 -0.44 1.01 0.24 0.23 120.40 119.28 3h4q s VAL 88 Ca 0.44 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.26 3h4q s VAL 88 Cb -0.11 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.85 3h4q s VAL 88 CO 0.31 0.20 0.50 -0.63 0.00 0.00 0.00 175.10 175.48 3h4q s ILE 89 N 1.19 5.01 -0.06 2.22 1.01 -0.07 -1.94 121.20 128.56 3h4q s ILE 89 Ca -0.07 0.10 0.13 0.00 0.00 0.00 0.00 60.65 60.81 3h4q s ILE 89 Cb -0.14 -4.01 -0.23 0.00 0.01 0.00 0.00 42.46 38.09 3h4q s ILE 89 CO -0.02 -0.32 0.59 1.41 0.00 0.00 0.00 174.94 176.60 3h4q n HIS 90 N 5.77 0.89 -3.69 3.97 8.25 -0.43 -4.41 115.22 125.56 3h4q n HIS 90 Ca -0.05 0.32 -0.14 0.00 -0.26 0.00 0.00 57.72 57.59 3h4q n HIS 90 Cb 0.48 -1.16 -0.09 0.00 1.12 0.00 0.00 29.99 30.34 3h4q n HIS 90 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3h4q s ARG 91 N -2.58 0.64 -0.10 -0.41 6.06 -1.23 -4.12 118.95 117.20 3h4q s ARG 91 Ca -0.05 0.71 -0.06 0.00 -2.50 0.00 0.00 55.73 53.83 3h4q s ARG 91 Cb 0.08 0.31 0.04 0.00 0.06 0.00 0.00 34.95 35.44 3h4q s ARG 91 CO 0.82 -0.08 0.24 -1.17 -2.50 0.00 0.00 175.30 172.61 3h4q s LEU 92 N 0.21 0.53 -0.12 -0.88 2.96 0.04 -1.24 118.68 120.17 3h4q s LEU 92 Ca -0.01 0.51 -0.12 0.00 -0.22 0.00 0.00 54.13 54.29 3h4q s LEU 92 Cb -0.04 0.73 0.03 0.00 0.50 0.00 0.00 46.19 47.41 3h4q s LEU 92 CO 0.01 -0.15 0.34 -0.89 -1.32 0.00 0.00 176.35 174.34 3h4q s THR 93 N 1.09 0.00 0.00 3.68 2.01 -0.57 -4.36 115.64 117.50 3h4q s THR 93 Ca -0.08 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.89 3h4q s THR 93 Cb -0.09 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 71.93 3h4q s THR 93 CO -0.07 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.45 3h4q n GLY 94 N 2.79 3.66 3.17 4.40 0.00 -1.26 -0.89 105.19 117.07 3h4q n GLY 94 Ca -0.13 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 43.84 3h4q n GLY 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h4q s SER 95 N -0.25 0.30 0.20 1.61 1.04 -0.89 -4.64 113.70 111.08 3h4q s SER 95 Ca 0.00 -1.03 -0.10 0.00 0.48 0.00 0.00 55.95 55.30 3h4q s SER 95 Cb 0.00 0.29 0.14 0.00 0.10 0.00 0.00 66.02 66.55 3h4q s SER 95 CO 0.00 -0.72 1.82 0.07 0.98 0.00 0.00 173.24 175.39 3h4q h LYS 96 N 2.89 1.02 0.00 4.02 -0.00 -1.98 -1.20 116.57 121.32 3h4q h LYS 96 Ca -0.34 -0.12 -0.03 0.00 -0.00 0.00 0.00 60.65 60.16 3h4q h LYS 96 Cb 1.19 -0.20 -0.00 0.00 -0.00 0.00 0.00 32.23 33.21 3h4q h LYS 96 CO 0.59 0.76 -0.14 0.93 -0.00 0.00 0.00 179.45 181.59 3h4q h GLU 97 N 1.01 0.00 -1.07 0.07 3.07 -1.96 -3.39 114.58 112.32 3h4q h GLU 97 Ca 0.26 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.02 3h4q h GLU 97 Cb 0.04 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 27.76 3h4q h GLU 97 CO -0.04 0.14 -0.48 -0.47 -1.40 0.00 0.00 179.01 176.77 3h4q s TYR 98 N -3.84 -1.61 0.25 4.33 5.04 -0.88 -5.02 117.35 115.62 3h4q s TYR 98 Ca -0.01 -0.01 -0.04 0.00 -2.44 0.00 0.00 57.07 54.58 3h4q s TYR 98 Cb 0.11 0.27 0.29 0.00 0.35 0.00 0.00 41.96 42.98 3h4q s TYR 98 CO 0.59 -1.19 1.78 0.87 -1.34 0.00 0.00 175.55 176.27 3h4q h LYS 99 N 6.55 0.93 0.00 4.97 6.56 -1.45 -2.65 116.57 131.48 3h4q h LYS 99 Ca 0.05 -0.21 0.00 0.00 -1.06 0.00 0.00 60.65 59.43 3h4q h LYS 99 Cb 1.16 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.69 3h4q h LYS 99 CO 0.09 0.84 0.24 0.78 -2.06 0.00 0.00 179.45 179.34 3h4q h GLY 100 N 1.02 0.00 1.49 3.86 0.00 -1.96 -2.38 103.07 105.10 3h4q h GLY 100 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.56 3h4q h GLY 100 CO 0.00 0.00 0.25 0.00 0.00 0.00 0.00 176.54 176.79 3h4q h ALA 101 N 1.41 1.93 -0.35 3.60 0.00 -1.76 -2.38 119.26 121.71 3h4q h ALA 101 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3h4q h ALA 101 Cb 0.48 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3h4q h ALA 101 CO 0.00 0.01 0.10 0.00 0.00 0.00 0.00 179.25 179.36 3h4q h ALA 102 N 1.80 0.46 -0.56 0.00 0.00 -1.67 -1.90 119.26 117.39 3h4q h ALA 102 Ca 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3h4q h ALA 102 Cb 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3h4q h ALA 102 CO -0.03 0.12 0.28 1.15 0.00 0.00 0.00 179.25 180.76 3h4q h THR 103 N 0.42 1.20 -0.51 0.00 2.02 -1.66 -0.82 112.91 113.55 3h4q h THR 103 Ca 0.11 -0.53 -0.10 0.00 0.77 0.00 0.00 66.41 66.65 3h4q h THR 103 Cb 0.27 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 3h4q h THR 103 CO -0.00 0.22 -0.09 -0.33 0.37 0.00 0.00 175.52 175.69 3h4q h GLU 104 N 0.75 0.94 -0.28 6.66 5.08 -1.32 -1.65 114.58 124.76 3h4q h GLU 104 Ca 0.19 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 3h4q h GLU 104 Cb 0.09 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3h4q h GLU 104 CO -0.03 0.99 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.86 3h4q h LEU 105 N 0.85 0.52 -0.68 1.33 3.38 -1.12 0.14 115.31 119.73 3h4q h LEU 105 Ca 0.14 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.79 3h4q h LEU 105 Cb 0.62 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3h4q h LEU 105 CO 0.04 0.73 0.43 0.15 0.09 0.00 0.00 178.44 179.89 3h4q h PHE 106 N 0.29 0.81 -0.25 1.13 3.04 -1.07 -1.06 116.94 119.84 3h4q h PHE 106 Ca 0.08 0.02 -0.14 0.00 3.98 0.00 0.00 57.97 61.90 3h4q h PHE 106 Cb 0.49 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.72 3h4q h PHE 106 CO 0.04 0.48 -0.43 -0.97 -2.02 0.00 0.00 178.31 175.41 3h4q h ASN 107 N 0.86 0.66 -0.29 0.41 -1.24 -1.17 -1.74 115.58 113.07 3h4q h ASN 107 Ca 0.26 -0.31 -0.05 0.00 0.71 0.00 0.00 56.30 56.92 3h4q h ASN 107 Cb -0.03 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 38.83 3h4q h ASN 107 CO -0.09 1.00 -0.01 0.22 -1.29 0.00 0.00 177.43 177.26 3h4q h TYR 108 N 0.50 0.56 -0.81 0.67 5.03 -0.33 -2.44 116.97 120.16 3h4q h TYR 108 Ca 0.04 -0.10 -0.04 0.00 2.58 0.00 0.00 58.73 61.21 3h4q h TYR 108 Cb 0.95 -0.14 -0.04 0.00 1.55 0.00 0.00 36.73 39.05 3h4q h TYR 108 CO 0.04 0.67 0.35 0.28 -1.32 0.00 0.00 178.16 178.18 3h4q h VAL 109 N 0.30 1.26 -0.56 1.81 2.07 -1.11 -1.89 116.25 118.12 3h4q h VAL 109 Ca 0.08 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 3h4q h VAL 109 Cb 0.45 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3h4q h VAL 109 CO 0.02 0.32 0.24 0.40 0.02 0.00 0.00 177.57 178.57 3h4q h ILE 110 N 1.16 1.22 -0.67 4.57 2.04 -1.26 -1.31 117.51 123.26 3h4q h ILE 110 Ca 0.27 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 3h4q h ILE 110 Cb 0.17 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3h4q h ILE 110 CO -0.03 0.25 0.30 0.44 0.00 0.00 0.00 178.15 179.12 3h4q h ASP 111 N 0.77 0.86 -0.14 1.72 5.19 -1.12 -1.14 116.42 122.56 3h4q h ASP 111 Ca 0.19 -0.10 -0.05 0.00 -0.62 0.00 0.00 57.03 56.46 3h4q h ASP 111 Cb 0.17 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.45 3h4q h ASP 111 CO -0.02 0.75 -0.09 0.58 -3.12 0.00 0.00 179.24 177.34 3h4q h VAL 112 N 0.95 1.33 -0.77 -1.35 2.07 -0.93 -0.62 116.25 116.92 3h4q h VAL 112 Ca 0.23 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 3h4q h VAL 112 Cb 0.12 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 3h4q h VAL 112 CO -0.03 0.34 0.36 -0.37 0.02 0.00 0.00 177.57 177.89 3h4q h VAL 113 N -0.04 1.24 -0.26 2.57 -1.51 -1.12 -1.11 116.25 116.02 3h4q h VAL 113 Ca 0.03 -0.68 -0.01 0.00 -1.23 0.00 0.00 66.70 64.81 3h4q h VAL 113 Cb 0.57 0.27 -0.01 0.00 -2.13 0.00 0.00 31.29 29.99 3h4q h VAL 113 CO 0.02 0.29 0.13 0.11 -1.23 0.00 0.00 177.57 176.90 3h4q h LYS 114 N 1.09 0.38 -0.50 5.19 1.57 -1.15 -1.83 116.57 121.32 3h4q h LYS 114 Ca 0.26 -0.05 0.11 0.00 -1.87 0.00 0.00 60.65 59.10 3h4q h LYS 114 Cb 0.12 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 3h4q h LYS 114 CO -0.03 0.36 0.34 0.00 -0.57 0.00 0.00 179.45 179.55 3h4q h ALA 115 N 1.00 2.19 0.00 3.86 0.00 -0.27 -0.06 119.26 125.98 3h4q h ALA 115 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3h4q h ALA 115 Cb 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3h4q h ALA 115 CO -0.01 -0.32 0.00 0.54 0.00 0.00 0.00 179.25 179.46 3h4q n ARG 116 N -4.45 0.66 -0.41 0.00 1.74 -0.50 -4.90 116.66 108.81 3h4q n ARG 116 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 3h4q n ARG 116 Cb 0.42 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 3h4q n ARG 116 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h4q n GLY 117 N 1.13 0.76 3.75 -0.13 0.00 -0.04 -5.06 105.19 105.61 3h4q n GLY 117 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3h4q n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h4q s ALA 118 N -2.27 2.42 -0.09 4.61 0.00 -0.73 -4.96 121.76 120.72 3h4q s ALA 118 Ca 0.00 0.93 0.09 0.00 0.00 0.00 0.00 51.96 52.98 3h4q s ALA 118 Cb 0.00 -3.44 -0.12 0.00 0.00 0.00 0.00 23.12 19.55 3h4q s ALA 118 CO 0.00 -1.37 0.04 0.39 0.00 0.00 0.00 175.76 174.82 3h4q n GLU 119 N -1.99 2.27 -4.36 0.00 4.71 -1.26 -4.66 120.64 115.35 3h4q n GLU 119 Ca 0.13 -0.01 -0.21 0.00 -0.01 0.00 0.00 57.16 57.07 3h4q n GLU 119 Cb 0.50 -1.25 -0.16 0.00 -1.01 0.00 0.00 31.44 29.52 3h4q n GLU 119 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3h4q s VAL 120 N -2.27 0.77 -0.10 2.62 0.11 -1.26 0.81 120.40 121.08 3h4q s VAL 120 Ca -0.05 -0.32 0.03 0.00 -2.93 0.00 0.00 61.98 58.71 3h4q s VAL 120 Cb 0.03 -0.71 0.01 0.00 -1.53 0.00 0.00 36.38 34.18 3h4q s VAL 120 CO 0.41 0.25 -0.20 -0.51 -3.33 0.00 0.00 175.10 171.73 3h4q s ILE 121 N 0.42 1.78 0.36 7.04 2.07 -0.71 -2.54 121.20 129.61 3h4q s ILE 121 Ca -0.07 -0.84 0.09 0.00 -1.41 0.00 0.00 60.65 58.42 3h4q s ILE 121 Cb -0.11 -1.57 -0.06 0.00 0.13 0.00 0.00 42.46 40.85 3h4q s ILE 121 CO 0.01 0.50 -0.00 -1.48 -1.91 0.00 0.00 174.94 172.05 3h4q s LEU 122 N 0.64 2.90 0.00 8.50 0.05 0.14 -0.78 118.68 130.12 3h4q s LEU 122 Ca -0.13 -1.13 -0.04 0.00 0.05 0.00 0.00 54.13 52.88 3h4q s LEU 122 Cb -0.16 -1.18 0.01 0.00 -2.05 0.00 0.00 46.19 42.81 3h4q s LEU 122 CO 0.03 -0.29 0.20 1.07 -0.55 0.00 0.00 176.35 176.81 3h4q n THR 123 N -0.94 0.00 -3.71 5.48 5.66 -0.52 -0.90 114.28 119.36 3h4q n THR 123 Ca -0.04 -0.10 -0.10 0.00 -3.05 0.00 0.00 64.05 60.76 3h4q n THR 123 Cb 0.64 0.14 -0.04 0.00 -1.55 0.00 0.00 70.33 69.52 3h4q n THR 123 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3h4q s ASP 124 N -1.47 -0.27 0.38 1.09 1.47 -1.26 -0.49 116.67 116.12 3h4q s ASP 124 Ca 0.04 -0.43 0.19 0.00 1.18 0.00 0.00 52.55 53.53 3h4q s ASP 124 Cb -0.01 0.56 1.16 0.00 -0.34 0.00 0.00 42.92 44.30 3h4q s ASP 124 CO 0.01 -1.02 1.69 0.74 0.68 0.00 0.00 175.17 177.27 3h4q h THR 125 N 2.21 0.35 0.00 2.11 2.02 -1.19 0.34 112.91 118.76 3h4q h THR 125 Ca -0.30 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.78 3h4q h THR 125 Cb 1.26 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3h4q h THR 125 CO 0.39 0.06 0.00 0.49 0.37 0.00 0.00 175.52 176.82 3h4q n PHE 126 N -4.82 0.27 0.22 3.16 3.72 -1.26 -2.69 117.46 116.06 3h4q n PHE 126 Ca 0.31 0.10 0.10 0.00 -0.05 0.00 0.00 57.45 57.90 3h4q n PHE 126 Cb 1.04 -0.66 0.47 0.00 -0.94 0.00 0.00 39.48 39.39 3h4q n PHE 126 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3h4q h ALA 127 N 2.54 1.03 -2.43 4.37 0.00 -1.07 -3.46 119.26 120.24 3h4q h ALA 127 Ca 0.00 -0.21 -0.61 0.00 0.00 0.00 0.00 54.91 54.09 3h4q h ALA 127 Cb 0.36 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 17.98 3h4q h ALA 127 CO 0.00 0.28 -0.75 -0.51 0.00 0.00 0.00 179.25 178.27 3h4q s LEU 128 N -6.82 2.69 0.54 0.00 1.02 -1.10 -0.78 118.68 114.23 3h4q s LEU 128 Ca 0.00 -0.91 -0.20 0.00 0.02 0.00 0.00 54.13 53.05 3h4q s LEU 128 Cb 0.10 -1.25 -0.06 0.00 0.02 0.00 0.00 46.19 45.01 3h4q s LEU 128 CO 0.64 0.05 1.13 0.20 0.02 0.00 0.00 176.35 178.39 3h4q s ASN 129 N -3.34 5.71 0.17 2.29 0.01 -1.26 -4.92 114.94 113.59 3h4q s ASN 129 Ca 0.28 2.19 -0.22 0.00 -0.71 0.00 0.00 52.86 54.40 3h4q s ASN 129 Cb -0.06 -2.58 0.08 0.00 0.41 0.00 0.00 41.25 39.09 3h4q s ASN 129 CO 0.15 -1.22 1.60 0.11 -1.51 0.00 0.00 177.10 176.23 3h4q h LYS 130 N 1.21 -0.21 0.00 -0.60 6.56 -1.98 -1.18 116.57 120.37 3h4q h LYS 130 Ca -0.50 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 3h4q h LYS 130 Cb 1.26 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.97 3h4q h LYS 130 CO 0.57 -0.14 0.00 -2.30 -2.06 0.00 0.00 179.45 175.52 3h4q n PRO 131 N -5.41 0.12 -0.07 3.15 -0.02 -1.26 -1.45 135.00 130.05 3h4q n PRO 131 Ca 0.02 0.50 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 3h4q n PRO 131 Cb 0.33 -1.80 0.35 0.00 -0.02 0.00 0.00 33.50 32.37 3h4q n PRO 131 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h4q n ALA 132 N -1.69 2.51 0.07 3.55 0.00 -0.45 -4.48 120.51 120.02 3h4q n ALA 132 Ca 0.01 -0.60 0.20 0.00 0.00 0.00 0.00 53.44 53.05 3h4q n ALA 132 Cb 0.11 -1.04 0.74 0.00 0.00 0.00 0.00 19.45 19.27 3h4q n ALA 132 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3h4q h GLN 133 N 2.96 0.00 -0.65 0.00 7.50 -1.19 -0.00 115.11 123.73 3h4q h GLN 133 Ca 0.00 0.00 0.19 0.00 0.50 0.00 0.00 58.65 59.34 3h4q h GLN 133 Cb 0.64 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.14 3h4q h GLN 133 CO 0.00 0.00 0.50 0.78 -1.50 0.00 0.00 178.83 178.61 3h4q h GLY 134 N 0.00 0.00 2.00 3.46 0.00 -1.84 -1.70 103.07 104.99 3h4q h GLY 134 Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 3h4q h GLY 134 CO -0.00 0.00 -0.10 1.41 0.00 0.00 0.00 176.54 177.85 3h4q h LEU 135 N 0.00 0.00 -0.33 3.11 3.38 -1.35 -0.44 115.31 119.68 3h4q h LEU 135 Ca 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 3h4q h LEU 135 Cb 1.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 3h4q h LEU 135 CO -0.00 0.10 0.20 -0.26 0.09 0.00 0.00 178.44 178.57 3h4q h PHE 136 N 0.00 0.43 0.30 1.13 0.04 -1.51 -0.91 116.94 116.42 3h4q h PHE 136 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3h4q h PHE 136 Cb 0.22 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.23 3h4q h PHE 136 CO 0.00 0.30 -0.14 0.00 -0.60 0.00 0.00 178.31 177.87 3h4q h ALA 137 N 1.09 -0.40 -0.87 2.45 0.00 -1.43 -1.57 119.26 118.52 3h4q h ALA 137 Ca 0.12 -0.12 0.20 0.00 0.00 0.00 0.00 54.91 55.11 3h4q h ALA 137 Cb -0.01 0.16 -0.12 0.00 0.00 0.00 0.00 17.79 17.82 3h4q h ALA 137 CO -0.02 -0.68 0.37 -0.22 0.00 0.00 0.00 179.25 178.70 3h4q h LYS 138 N -0.50 0.40 -0.58 0.00 3.64 -0.78 0.34 116.57 119.09 3h4q h LYS 138 Ca -0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3h4q h LYS 138 Cb 0.38 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3h4q h LYS 138 CO 0.07 0.26 0.00 1.19 -2.27 0.00 0.00 179.45 178.70 3h4q n PHE 139 N -5.04 0.94 -2.47 1.91 3.72 -0.38 -4.94 117.46 111.20 3h4q n PHE 139 Ca 0.21 -0.39 -0.13 0.00 -0.05 0.00 0.00 57.45 57.08 3h4q n PHE 139 Cb 0.61 -0.14 0.01 0.00 -0.94 0.00 0.00 39.48 39.01 3h4q n PHE 139 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h4q n GLY 140 N 0.98 -0.12 3.84 1.37 0.00 0.11 -5.02 105.19 106.35 3h4q n GLY 140 Ca 0.17 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 3h4q n GLY 140 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h4q s PHE 141 N -2.78 3.42 -0.06 1.61 0.40 -0.61 -4.76 117.98 115.19 3h4q s PHE 141 Ca 0.09 1.40 0.06 0.00 -0.60 0.00 0.00 56.93 57.88 3h4q s PHE 141 Cb -0.04 -2.72 -0.01 0.00 0.51 0.00 0.00 43.02 40.76 3h4q s PHE 141 CO 0.11 -0.23 -0.24 -1.01 0.70 0.00 0.00 175.22 174.55 3h4q s HIS 142 N -2.43 2.47 0.68 0.36 3.76 0.16 -4.73 115.29 115.56 3h4q s HIS 142 Ca 0.58 -0.71 -0.14 0.00 -0.15 0.00 0.00 55.06 54.64 3h4q s HIS 142 Cb -0.10 -1.62 0.01 0.00 1.11 0.00 0.00 32.58 31.99 3h4q s HIS 142 CO 0.26 -0.21 1.09 0.15 -0.85 0.00 0.00 174.74 175.19 3h4q s LYS 143 N -0.14 2.74 0.00 1.40 1.02 -1.26 -1.44 119.74 122.06 3h4q s LYS 143 Ca -0.04 1.27 0.00 0.00 0.02 0.00 0.00 55.97 57.22 3h4q s LYS 143 Cb -0.14 -1.95 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 3h4q s LYS 143 CO 0.04 -1.28 0.14 1.33 -0.92 0.00 0.00 175.35 174.65 3h4q n VAL 144 N -2.71 0.00 -1.94 3.17 0.24 -0.21 -4.90 118.33 111.99 3h4q n VAL 144 Ca 0.10 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.97 3h4q n VAL 144 Cb 0.52 1.52 -0.03 0.00 -1.47 0.00 0.00 33.84 34.39 3h4q n VAL 144 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3h4q s PRO 159 N 0.00 3.96 0.11 7.34 0.04 -1.26 -3.83 135.00 141.37 3h4q s PRO 159 Ca 0.00 2.10 0.06 0.00 0.04 0.00 0.00 61.00 63.20 3h4q s PRO 159 Cb 0.00 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.43 3h4q s PRO 159 CO 0.00 -1.12 -0.15 -0.59 0.04 0.00 0.00 177.00 175.18 3h4q s PHE 160 N 4.86 1.45 0.06 0.56 -0.71 -1.26 -5.08 117.98 117.85 3h4q s PHE 160 Ca 0.78 -0.51 0.01 0.00 -1.04 0.00 0.00 56.93 56.17 3h4q s PHE 160 Cb -0.33 -0.77 -0.03 0.00 -1.21 0.00 0.00 43.02 40.68 3h4q s PHE 160 CO 0.32 0.15 -0.06 0.71 -1.34 0.00 0.00 175.22 175.01 3h4q s TYR 161 N -1.84 0.63 0.06 3.49 2.02 -1.26 -5.00 117.35 115.46 3h4q s TYR 161 Ca 0.07 -0.75 0.01 0.00 -0.37 0.00 0.00 57.07 56.03 3h4q s TYR 161 Cb -0.07 -0.40 -0.04 0.00 -0.40 0.00 0.00 41.96 41.06 3h4q s TYR 161 CO 0.03 -0.18 0.13 0.00 -1.57 0.00 0.00 175.55 173.96 3h4q s ALA 162 N -2.61 3.74 0.09 3.71 0.00 -1.25 -0.54 121.76 124.90 3h4q s ALA 162 Ca -0.01 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.08 3h4q s ALA 162 Cb -0.02 -1.62 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 3h4q s ALA 162 CO -0.04 0.77 -0.12 0.71 0.00 0.00 0.00 175.76 177.08 3h4q s TYR 163 N -1.40 1.14 0.08 0.00 1.51 0.35 -1.04 117.35 117.99 3h4q s TYR 163 Ca 0.30 -0.55 0.02 0.00 -1.01 0.00 0.00 57.07 55.84 3h4q s TYR 163 Cb -0.12 -0.63 -0.04 0.00 -0.11 0.00 0.00 41.96 41.06 3h4q s TYR 163 CO 0.23 0.04 -0.08 1.52 -1.11 0.00 0.00 175.55 176.15 3h4q s TYR 164 N -1.85 0.86 -0.06 2.71 -0.85 -0.52 -1.43 117.35 116.22 3h4q s TYR 164 Ca 0.02 -0.75 0.00 0.00 -0.52 0.00 0.00 57.07 55.82 3h4q s TYR 164 Cb -0.07 -0.50 0.02 0.00 0.38 0.00 0.00 41.96 41.80 3h4q s TYR 164 CO 0.01 -0.10 -0.04 0.21 -1.52 0.00 0.00 175.55 174.11 3h4q s LYS 165 N -3.04 0.94 -0.34 -3.49 2.20 0.04 -0.67 119.74 115.38 3h4q s LYS 165 Ca 0.05 -0.10 -0.22 0.00 -0.36 0.00 0.00 55.97 55.33 3h4q s LYS 165 Cb -0.00 -1.01 0.00 0.00 -1.51 0.00 0.00 37.83 35.31 3h4q s LYS 165 CO -0.02 -0.14 0.74 1.21 -0.36 0.00 0.00 175.35 176.78 3h4q s ASN 166 N 1.22 6.56 -0.03 1.43 2.47 -1.26 -1.75 114.94 123.58 3h4q s ASN 166 Ca -0.06 0.42 0.00 0.00 0.42 0.00 0.00 52.86 53.65 3h4q s ASN 166 Cb -0.14 -2.38 0.05 0.00 -1.45 0.00 0.00 41.25 37.33 3h4q s ASN 166 CO -0.02 -0.65 1.06 0.18 -3.72 0.00 0.00 177.10 173.96 3h4q n LEU 167 N 6.23 3.24 0.00 3.21 4.77 0.24 -5.00 117.00 129.69 3h4q n LEU 167 Ca 0.02 -1.64 0.00 0.00 -0.03 0.00 0.00 56.01 54.36 3h4q n LEU 167 Cb 0.48 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3h4q n LEU 167 CO 0.51 0.54 0.00 2.29 -1.33 0.00 0.00 177.39 179.40