#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ix4 h ALA 2 N 0.00 1.12 -0.79 3.04 0.00 -2.08 -2.44 119.26 118.10 3ix4 h ALA 2 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ix4 h ALA 2 Cb 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3ix4 h ALA 2 CO 0.00 0.21 0.51 1.25 0.00 0.00 0.00 179.25 181.22 3ix4 h LEU 3 N 0.00 0.93 -1.93 0.00 5.85 -2.09 -3.06 115.31 115.01 3ix4 h LEU 3 Ca -0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3ix4 h LEU 3 Cb 0.56 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3ix4 h LEU 3 CO 0.02 0.69 0.00 1.33 -0.34 0.00 0.00 178.44 180.15 3ix4 n VAL 4 N -4.51 0.04 -0.26 1.05 0.24 -1.11 -4.56 118.33 109.23 3ix4 n VAL 4 Ca 0.08 -0.52 0.02 0.00 -2.04 0.00 0.00 64.34 61.88 3ix4 n VAL 4 Cb 0.03 1.44 0.11 0.00 -1.47 0.00 0.00 33.84 33.95 3ix4 n VAL 4 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 3ix4 h ASP 5 N 4.53 -0.61 -0.98 -1.34 1.82 -1.33 -1.01 116.42 117.49 3ix4 h ASP 5 Ca 0.00 0.22 0.11 0.00 -0.39 0.00 0.00 57.03 56.96 3ix4 h ASP 5 Cb 0.96 0.43 -0.08 0.00 0.68 0.00 0.00 39.33 41.33 3ix4 h ASP 5 CO 0.00 -0.23 0.63 1.23 -1.61 0.00 0.00 179.24 179.25 3ix4 h GLY 6 N 0.02 1.54 2.00 -0.78 0.00 -1.80 -2.10 103.07 101.95 3ix4 h GLY 6 Ca 0.37 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3ix4 h GLY 6 CO -0.74 0.21 0.00 0.74 0.00 0.00 0.00 176.54 176.74 3ix4 h PHE 7 N 1.01 0.00 0.00 5.60 0.04 -1.51 -3.05 116.94 119.03 3ix4 h PHE 7 Ca 0.47 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.20 3ix4 h PHE 7 Cb 0.41 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 3ix4 h PHE 7 CO -0.00 0.00 -0.18 -0.07 -0.60 0.00 0.00 178.31 177.46 3ix4 h LEU 8 N 0.00 0.00 -2.13 1.54 3.38 -1.44 -2.80 115.31 113.87 3ix4 h LEU 8 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ix4 h LEU 8 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3ix4 h LEU 8 CO 0.00 0.18 0.01 -0.33 0.09 0.00 0.00 178.44 178.39 3ix4 h GLU 9 N 0.00 0.00 -0.97 1.13 4.39 -1.74 -2.37 114.58 115.01 3ix4 h GLU 9 Ca -0.00 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.72 3ix4 h GLU 9 Cb 0.37 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.97 3ix4 h GLU 9 CO 0.02 0.00 0.64 -0.07 -1.16 0.00 0.00 179.01 178.45 3ix4 h LEU 10 N 0.00 1.10 -0.55 1.33 3.38 -1.75 -1.44 115.31 117.38 3ix4 h LEU 10 Ca 0.01 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 3ix4 h LEU 10 Cb 0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3ix4 h LEU 10 CO -0.00 0.78 -0.59 -0.33 0.09 0.00 0.00 178.44 178.38 3ix4 h GLU 11 N 1.28 0.00 -2.18 1.13 4.39 -1.63 -3.35 114.58 114.22 3ix4 h GLU 11 Ca 0.37 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 59.40 3ix4 h GLU 11 Cb -0.09 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 28.36 3ix4 h GLU 11 CO -0.10 0.59 1.12 0.54 -1.16 0.00 0.00 179.01 180.01 3ix4 n ARG 12 N -3.53 3.47 -4.27 2.33 3.00 -0.54 -4.94 116.66 112.18 3ix4 n ARG 12 Ca -0.00 -3.23 -0.16 0.00 -0.01 0.00 0.00 57.85 54.44 3ix4 n ARG 12 Cb 0.66 -2.34 -0.10 0.00 0.00 0.00 0.00 32.46 30.68 3ix4 n ARG 12 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3ix4 s SER 13 N -0.23 2.02 -0.29 0.55 1.04 -1.22 -4.93 113.70 110.64 3ix4 s SER 13 Ca 0.53 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.99 3ix4 s SER 13 Cb 0.32 -0.05 0.06 0.00 0.10 0.00 0.00 66.02 66.44 3ix4 s SER 13 CO -0.22 -0.25 -0.03 -0.94 0.98 0.00 0.00 173.24 172.78 3ix4 s SER 14 N -3.05 4.74 0.00 7.02 1.04 -1.26 -4.97 113.70 117.22 3ix4 s SER 14 Ca 0.16 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.20 3ix4 s SER 14 Cb 0.00 -1.66 0.00 0.00 0.10 0.00 0.00 66.02 64.47 3ix4 s SER 14 CO 0.03 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.60 3ix4 n GLY 15 N 4.54 -0.98 0.26 7.32 0.00 -1.26 -4.20 105.19 110.87 3ix4 n GLY 15 Ca -0.12 -1.65 -0.11 0.00 0.00 0.00 0.00 46.02 44.14 3ix4 n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ix4 h LYS 16 N 0.00 0.88 -0.20 1.61 3.64 -1.97 -2.54 116.57 118.00 3ix4 h LYS 16 Ca 0.00 -0.37 0.04 0.00 -1.27 0.00 0.00 60.65 59.05 3ix4 h LYS 16 Cb 0.00 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 3ix4 h LYS 16 CO 0.00 1.01 -0.04 1.25 -2.27 0.00 0.00 179.45 179.41 3ix4 h LEU 17 N 0.71 -0.15 -0.41 5.20 7.12 -2.00 0.14 115.31 125.93 3ix4 h LEU 17 Ca 0.10 0.05 -0.09 0.00 0.13 0.00 0.00 57.88 58.08 3ix4 h LEU 17 Cb 0.72 0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.95 3ix4 h LEU 17 CO 0.05 -0.05 -0.10 -0.08 -0.13 0.00 0.00 178.44 178.13 3ix4 h GLU 18 N 0.02 0.79 -0.42 1.25 4.81 -1.72 -1.95 114.58 117.35 3ix4 h GLU 18 Ca 0.09 -0.31 0.02 0.00 -0.13 0.00 0.00 59.36 59.04 3ix4 h GLU 18 Cb 0.14 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 3ix4 h GLU 18 CO -0.19 0.92 0.24 2.35 -0.73 0.00 0.00 179.01 181.60 3ix4 h TRP 19 N 0.60 0.46 -0.96 0.92 7.01 -1.20 -1.00 115.95 121.78 3ix4 h TRP 19 Ca 0.10 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.11 3ix4 h TRP 19 Cb 0.63 -0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 27.50 3ix4 h TRP 19 CO 0.05 0.26 0.59 0.66 -2.79 0.00 0.00 178.44 177.22 3ix4 h SER 20 N 0.49 1.15 -0.66 2.65 4.64 -0.61 -0.98 113.55 120.23 3ix4 h SER 20 Ca 0.17 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.37 3ix4 h SER 20 Cb 0.01 -0.29 -0.03 0.00 -0.31 0.00 0.00 62.40 61.79 3ix4 h SER 20 CO -0.08 0.87 0.21 0.00 -0.87 0.00 0.00 176.83 176.95 3ix4 h ALA 21 N 1.33 0.87 -0.13 5.18 0.00 -0.89 0.16 119.26 125.78 3ix4 h ALA 21 Ca 0.35 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3ix4 h ALA 21 Cb -0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 3ix4 h ALA 21 CO -0.07 0.54 -0.03 0.82 0.00 0.00 0.00 179.25 180.52 3ix4 h ILE 22 N 0.96 1.28 -0.46 0.00 2.04 -0.87 -1.66 117.51 118.81 3ix4 h ILE 22 Ca 0.21 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 3ix4 h ILE 22 Cb 0.30 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 3ix4 h ILE 22 CO -0.01 0.27 0.21 0.25 0.00 0.00 0.00 178.15 178.88 3ix4 h LEU 23 N -0.07 0.61 -1.05 1.44 5.85 -1.11 -1.22 115.31 119.76 3ix4 h LEU 23 Ca 0.03 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3ix4 h LEU 23 Cb 0.44 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 3ix4 h LEU 23 CO 0.01 0.58 0.57 1.56 -0.34 0.00 0.00 178.44 180.82 3ix4 h GLN 24 N 0.60 1.22 -0.47 1.25 4.20 -0.95 -1.44 115.11 119.52 3ix4 h GLN 24 Ca 0.16 -0.09 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 3ix4 h GLN 24 Cb 0.14 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 3ix4 h GLN 24 CO -0.02 0.83 -0.09 -0.22 -0.67 0.00 0.00 178.83 178.67 3ix4 h LYS 25 N 1.24 0.88 -0.82 1.46 3.64 -0.97 -0.88 116.57 121.13 3ix4 h LYS 25 Ca 0.33 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ix4 h LYS 25 Cb -0.09 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.63 3ix4 h LYS 25 CO -0.07 0.97 0.52 0.52 -2.27 0.00 0.00 179.45 179.12 3ix4 h MET 26 N 0.73 1.10 -0.45 1.90 2.86 -0.87 0.13 114.93 120.32 3ix4 h MET 26 Ca 0.12 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 3ix4 h MET 26 Cb 0.63 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 3ix4 h MET 26 CO 0.04 0.75 -0.03 0.00 1.06 0.00 0.00 176.91 178.74 3ix4 h ALA 27 N 1.28 0.62 -0.66 6.32 0.00 -1.17 -2.74 119.26 122.91 3ix4 h ALA 27 Ca 0.30 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3ix4 h ALA 27 Cb -0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3ix4 h ALA 27 CO -0.06 0.44 0.27 1.03 0.00 0.00 0.00 179.25 180.92 3ix4 h SER 28 N 0.66 0.88 0.68 0.00 0.87 -0.76 -0.11 113.55 115.77 3ix4 h SER 28 Ca 0.13 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3ix4 h SER 28 Cb 0.54 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 3ix4 h SER 28 CO 0.03 0.78 0.00 0.44 -0.53 0.00 0.00 176.83 177.55 3ix4 h ASP 29 N 0.94 0.00 -0.32 6.23 3.32 -0.59 -1.26 116.42 124.74 3ix4 h ASP 29 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3ix4 h ASP 29 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3ix4 h ASP 29 CO -0.02 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.68 3ix4 n LEU 30 N -3.06 3.31 0.00 1.55 4.77 -0.72 -4.96 117.00 117.89 3ix4 n LEU 30 Ca -0.01 -1.44 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 3ix4 n LEU 30 Cb 0.23 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3ix4 n LEU 30 CO 0.25 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 3ix4 n GLY 31 N 1.39 0.99 3.21 -0.72 0.00 -0.48 -4.91 105.19 104.67 3ix4 n GLY 31 Ca 0.18 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3ix4 n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ix4 s PHE 32 N -2.00 3.27 -0.63 1.61 0.40 -0.13 -4.44 117.98 116.06 3ix4 s PHE 32 Ca 0.00 -1.73 0.25 0.00 -0.60 0.00 0.00 56.93 54.85 3ix4 s PHE 32 Cb 0.00 -2.21 0.64 0.00 0.51 0.00 0.00 43.02 41.97 3ix4 s PHE 32 CO 0.00 -0.78 1.71 0.66 0.70 0.00 0.00 175.22 177.51 3ix4 h SER 33 N 8.08 0.00 -3.80 1.36 4.64 -1.83 -2.90 113.55 119.10 3ix4 h SER 33 Ca -0.22 -0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.59 3ix4 h SER 33 Cb 1.07 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.84 3ix4 h SER 33 CO 0.56 0.00 -0.82 -0.54 -0.87 0.00 0.00 176.83 175.17 3ix4 s LYS 34 N -3.14 1.52 -0.02 4.77 -0.14 -1.23 -4.96 119.74 116.53 3ix4 s LYS 34 Ca 0.09 -0.48 -0.08 0.00 -1.36 0.00 0.00 55.97 54.14 3ix4 s LYS 34 Cb 0.10 -1.33 0.01 0.00 -1.68 0.00 0.00 37.83 34.93 3ix4 s LYS 34 CO 0.62 0.17 0.17 -1.50 -0.76 0.00 0.00 175.35 174.05 3ix4 s ILE 35 N 0.19 0.05 -0.07 2.17 2.07 -1.26 -1.10 121.20 123.25 3ix4 s ILE 35 Ca -0.05 -0.45 -0.02 0.00 -1.41 0.00 0.00 60.65 58.71 3ix4 s ILE 35 Cb -0.11 -0.40 0.03 0.00 0.13 0.00 0.00 42.46 42.11 3ix4 s ILE 35 CO 0.02 -0.25 0.04 -0.22 -1.91 0.00 0.00 174.94 172.62 3ix4 s LEU 36 N -0.91 0.37 -0.28 8.50 0.20 -0.29 -1.78 118.68 124.50 3ix4 s LEU 36 Ca -0.10 -0.07 -0.10 0.00 0.69 0.00 0.00 54.13 54.55 3ix4 s LEU 36 Cb -0.05 -0.29 -0.03 0.00 -0.43 0.00 0.00 46.19 45.39 3ix4 s LEU 36 CO 0.01 -0.24 0.15 0.12 -0.29 0.00 0.00 176.35 176.11 3ix4 s PHE 37 N 2.08 3.17 -0.04 5.38 5.36 0.12 -1.05 117.98 133.00 3ix4 s PHE 37 Ca 0.05 -0.20 0.06 0.00 -0.96 0.00 0.00 56.93 55.88 3ix4 s PHE 37 Cb -0.13 -2.34 -0.01 0.00 -0.34 0.00 0.00 43.02 40.20 3ix4 s PHE 37 CO -0.05 -0.29 -0.22 0.20 -1.46 0.00 0.00 175.22 173.40 3ix4 s GLY 38 N 1.69 1.15 -0.04 13.12 0.00 -0.15 -0.07 107.32 123.02 3ix4 s GLY 38 Ca 0.06 -0.94 -0.03 0.00 0.00 0.00 0.00 44.72 43.81 3ix4 s GLY 38 CO 0.08 -0.64 0.11 -2.27 0.00 0.00 0.00 173.10 170.38 3ix4 s LEU 39 N -0.24 1.26 0.14 0.66 2.96 0.23 -1.12 118.68 122.58 3ix4 s LEU 39 Ca 0.00 0.22 0.09 0.00 -0.22 0.00 0.00 54.13 54.23 3ix4 s LEU 39 Cb -0.12 0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.84 3ix4 s LEU 39 CO 0.02 -0.08 -0.22 -0.76 -1.32 0.00 0.00 176.35 173.99 3ix4 s LEU 40 N 0.54 2.36 1.02 -0.68 1.43 0.16 -1.29 118.68 122.23 3ix4 s LEU 40 Ca -0.04 -0.78 -0.15 0.00 -1.03 0.00 0.00 54.13 52.13 3ix4 s LEU 40 Cb -0.06 -0.99 0.20 0.00 0.03 0.00 0.00 46.19 45.37 3ix4 s LEU 40 CO -0.02 0.07 1.14 -2.16 0.23 0.00 0.00 176.35 175.61 3ix4 s PRO 41 N -2.31 0.24 0.14 1.29 0.04 -1.26 -0.70 135.00 132.44 3ix4 s PRO 41 Ca 0.13 0.14 -0.34 0.00 0.04 0.00 0.00 61.00 60.97 3ix4 s PRO 41 Cb -0.08 -1.75 -0.17 0.00 0.04 0.00 0.00 34.50 32.54 3ix4 s PRO 41 CO 0.06 -2.77 1.05 1.17 0.04 0.00 0.00 177.00 176.55 3ix4 n LYS 42 N -4.14 0.73 -3.55 4.56 4.81 -1.21 -3.11 118.16 116.25 3ix4 n LYS 42 Ca 0.09 0.26 -0.25 0.00 -0.87 0.00 0.00 58.31 57.54 3ix4 n LYS 42 Cb 0.59 -1.68 0.06 0.00 0.02 0.00 0.00 35.03 34.02 3ix4 n LYS 42 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ix4 n ASP 43 N 1.92 -6.06 -4.24 3.14 8.00 -1.26 -5.00 116.55 113.05 3ix4 n ASP 43 Ca 0.17 -0.53 -0.30 0.00 0.71 0.00 0.00 54.79 54.83 3ix4 n ASP 43 Cb 0.21 -4.80 -0.16 0.00 -0.02 0.00 0.00 41.12 36.35 3ix4 n ASP 43 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3ix4 s SER 44 N -3.20 2.89 -0.21 -2.24 0.15 -1.18 -4.99 113.70 104.92 3ix4 s SER 44 Ca 0.55 -0.48 0.13 0.00 0.70 0.00 0.00 55.95 56.85 3ix4 s SER 44 Cb -0.25 -0.83 0.45 0.00 -1.71 0.00 0.00 66.02 63.68 3ix4 s SER 44 CO 0.68 0.22 1.34 0.00 1.20 0.00 0.00 173.24 176.69 3ix4 n GLN 45 N 3.02 1.95 -2.07 5.44 3.00 -1.26 -4.91 117.38 122.56 3ix4 n GLN 45 Ca -0.18 -2.99 -0.42 0.00 -0.01 0.00 0.00 57.00 53.41 3ix4 n GLN 45 Cb 0.52 -1.72 -0.00 0.00 0.00 0.00 0.00 30.24 29.04 3ix4 n GLN 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 3ix4 n ASP 46 N -1.04 5.90 -0.08 1.08 2.03 -1.26 -4.78 116.55 118.40 3ix4 n ASP 46 Ca 0.24 -3.03 0.01 0.00 0.52 0.00 0.00 54.79 52.53 3ix4 n ASP 46 Cb 0.86 -1.48 0.30 0.00 -0.72 0.00 0.00 41.12 40.07 3ix4 n ASP 46 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 3ix4 h TYR 47 N 5.45 0.70 0.00 -0.67 -1.99 -1.99 -0.18 116.97 118.28 3ix4 h TYR 47 Ca 0.53 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 61.24 3ix4 h TYR 47 Cb 0.52 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 39.03 3ix4 h TYR 47 CO 1.42 0.53 0.00 0.93 -0.00 0.00 0.00 178.16 181.03 3ix4 h GLU 48 N 0.71 0.00 -0.06 4.88 3.07 -1.95 -2.74 114.58 118.49 3ix4 h GLU 48 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 3ix4 h GLU 48 Cb 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 3ix4 h GLU 48 CO -0.02 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.68 3ix4 n ASN 49 N -2.51 2.52 -4.74 1.42 3.02 -0.09 -5.07 115.26 109.81 3ix4 n ASN 49 Ca -0.02 -2.77 -0.33 0.00 -0.03 0.00 0.00 54.58 51.44 3ix4 n ASN 49 Cb 0.07 -0.34 0.08 0.00 -0.61 0.00 0.00 39.78 38.98 3ix4 n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ix4 s ALA 50 N -2.33 2.22 -0.10 5.41 0.00 -1.04 -4.97 121.76 120.95 3ix4 s ALA 50 Ca 0.26 0.65 -0.30 0.00 0.00 0.00 0.00 51.96 52.57 3ix4 s ALA 50 Cb 0.21 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 3ix4 s ALA 50 CO 0.04 -1.70 1.38 0.12 0.00 0.00 0.00 175.76 175.60 3ix4 s PHE 51 N -2.30 2.66 -0.06 0.00 5.36 -0.41 -4.89 117.98 118.34 3ix4 s PHE 51 Ca 0.69 0.79 0.04 0.00 -0.96 0.00 0.00 56.93 57.49 3ix4 s PHE 51 Cb -0.24 -3.63 0.00 0.00 -0.34 0.00 0.00 43.02 38.82 3ix4 s PHE 51 CO 0.46 -2.32 -0.19 0.42 -1.46 0.00 0.00 175.22 172.13 3ix4 s ILE 52 N 3.35 1.61 -0.01 3.12 1.01 -1.26 -0.60 121.20 128.42 3ix4 s ILE 52 Ca 0.61 -0.79 0.05 0.00 0.00 0.00 0.00 60.65 60.53 3ix4 s ILE 52 Cb -0.26 -1.39 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 3ix4 s ILE 52 CO 0.21 0.46 -0.17 -0.69 0.00 0.00 0.00 174.94 174.74 3ix4 s VAL 53 N 0.24 1.37 -5.00 2.92 1.01 0.91 -4.98 120.40 116.86 3ix4 s VAL 53 Ca -0.10 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.11 3ix4 s VAL 53 Cb -0.14 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.09 3ix4 s VAL 53 CO 0.04 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.12 3ix4 n GLY 54 N 2.59 0.85 0.63 4.51 0.00 -1.26 0.16 105.19 112.68 3ix4 n GLY 54 Ca -0.15 -1.85 0.06 0.00 0.00 0.00 0.00 46.02 44.08 3ix4 n GLY 54 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ix4 n ASN 55 N 1.77 1.43 -4.70 1.61 0.23 -0.73 -5.01 115.26 109.85 3ix4 n ASN 55 Ca 0.00 -2.93 -0.40 0.00 -0.53 0.00 0.00 54.58 50.71 3ix4 n ASN 55 Cb 0.00 -0.39 0.02 0.00 -2.08 0.00 0.00 39.78 37.32 3ix4 n ASN 55 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3ix4 n TYR 56 N -0.66 2.08 -1.65 -2.53 0.53 -1.23 -4.75 117.16 108.95 3ix4 n TYR 56 Ca 0.12 0.49 -0.47 0.00 -1.02 0.00 0.00 57.90 57.01 3ix4 n TYR 56 Cb 0.78 -2.36 -0.05 0.00 -1.03 0.00 0.00 39.34 36.68 3ix4 n TYR 56 CO 0.00 0.00 0.00 -2.30 -1.02 0.00 0.00 176.86 173.54 3ix4 n PRO 57 N -0.14 1.93 -0.29 -0.72 -0.02 -1.26 -4.82 135.00 129.68 3ix4 n PRO 57 Ca 0.07 0.70 0.05 0.00 -2.02 0.00 0.00 63.50 62.31 3ix4 n PRO 57 Cb 0.41 -2.44 0.20 0.00 -0.02 0.00 0.00 33.50 31.64 3ix4 n PRO 57 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ix4 h ALA 58 N 5.83 1.23 -0.39 3.55 0.00 -1.99 -0.93 119.26 126.56 3ix4 h ALA 58 Ca -0.46 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 3ix4 h ALA 58 Cb 1.27 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3ix4 h ALA 58 CO 0.87 -0.02 0.08 0.00 0.00 0.00 0.00 179.25 180.18 3ix4 h ALA 59 N 1.52 1.41 -0.30 0.00 0.00 -1.99 -0.75 119.26 119.15 3ix4 h ALA 59 Ca 0.44 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 3ix4 h ALA 59 Cb 0.54 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3ix4 h ALA 59 CO -0.32 0.43 -0.07 2.35 0.00 0.00 0.00 179.25 181.63 3ix4 h TRP 60 N 0.57 0.65 -0.73 0.00 2.91 -1.58 -1.26 115.95 116.51 3ix4 h TRP 60 Ca 0.13 -0.14 0.06 0.00 1.13 0.00 0.00 58.89 60.07 3ix4 h TRP 60 Cb 0.24 -0.16 -0.06 0.00 -0.51 0.00 0.00 29.16 28.68 3ix4 h TRP 60 CO 0.01 0.77 0.43 0.00 -1.03 0.00 0.00 178.44 178.62 3ix4 h ARG 61 N 0.35 0.77 -0.38 2.65 3.08 -0.81 -0.21 114.38 119.83 3ix4 h ARG 61 Ca 0.08 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3ix4 h ARG 61 Cb 0.56 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3ix4 h ARG 61 CO 0.03 0.51 0.10 0.93 -1.07 0.00 0.00 179.97 180.47 3ix4 h GLU 62 N 0.80 0.61 -0.67 0.04 5.08 -1.09 -2.62 114.58 116.72 3ix4 h GLU 62 Ca 0.32 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 3ix4 h GLU 62 Cb 0.16 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3ix4 h GLU 62 CO -0.17 0.63 0.18 1.25 -1.00 0.00 0.00 179.01 179.90 3ix4 h HIS 63 N 0.47 1.11 -0.65 4.33 2.76 -0.99 -0.83 115.15 121.35 3ix4 h HIS 63 Ca 0.12 -0.12 0.03 0.00 -2.20 0.00 0.00 60.37 58.20 3ix4 h HIS 63 Cb 0.29 -0.32 -0.04 0.00 1.55 0.00 0.00 27.41 28.89 3ix4 h HIS 63 CO 0.01 0.91 0.40 -0.92 -1.30 0.00 0.00 177.93 177.03 3ix4 h TYR 64 N 0.99 0.74 0.12 5.26 3.20 -0.99 0.89 116.97 127.18 3ix4 h TYR 64 Ca 0.21 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 3ix4 h TYR 64 Cb 0.34 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.37 3ix4 h TYR 64 CO 0.03 0.41 -0.06 -0.44 -1.64 0.00 0.00 178.16 176.46 3ix4 h ASP 65 N 0.77 -0.14 -0.59 -2.11 3.32 -1.25 -0.85 116.42 115.56 3ix4 h ASP 65 Ca 0.27 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3ix4 h ASP 65 Cb 0.05 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3ix4 h ASP 65 CO -0.12 0.16 0.27 -0.09 -1.72 0.00 0.00 179.24 177.74 3ix4 h ARG 66 N -0.45 0.86 0.00 3.56 2.43 -0.94 -1.97 114.38 117.87 3ix4 h ARG 66 Ca -0.02 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3ix4 h ARG 66 Cb 0.36 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3ix4 h ARG 66 CO 0.03 0.71 0.00 0.00 -1.51 0.00 0.00 179.97 179.20 3ix4 n ALA 67 N -2.35 2.23 -3.40 2.80 0.00 0.29 -4.92 120.51 115.17 3ix4 n ALA 67 Ca 0.03 -0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 3ix4 n ALA 67 Cb 0.14 -1.40 0.07 0.00 0.00 0.00 0.00 19.45 18.25 3ix4 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ix4 n GLY 68 N 0.82 -0.45 0.19 0.00 0.00 -0.74 -4.89 105.19 100.12 3ix4 n GLY 68 Ca 0.11 0.17 0.14 0.00 0.00 0.00 0.00 46.02 46.44 3ix4 n GLY 68 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ix4 h TYR 69 N -2.26 0.00 -0.31 1.61 0.05 -1.42 -2.20 116.97 112.44 3ix4 h TYR 69 Ca -0.53 0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.34 3ix4 h TYR 69 Cb 1.35 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.07 3ix4 h TYR 69 CO 0.47 0.00 0.22 0.00 -1.05 0.00 0.00 178.16 177.81 3ix4 h ALA 70 N 2.07 2.25 -0.00 3.88 0.00 -1.90 0.53 119.26 126.09 3ix4 h ALA 70 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ix4 h ALA 70 Cb 0.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ix4 h ALA 70 CO 0.00 -0.34 -0.06 0.54 0.00 0.00 0.00 179.25 179.39 3ix4 n ARG 71 N -4.45 0.91 0.02 0.00 1.74 -0.83 -4.36 116.66 109.69 3ix4 n ARG 71 Ca 0.04 -0.29 -0.00 0.00 -0.77 0.00 0.00 57.85 56.83 3ix4 n ARG 71 Cb 0.37 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.32 3ix4 n ARG 71 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3ix4 n VAL 72 N -0.79 0.53 -1.12 1.55 0.31 0.11 -5.02 118.33 113.90 3ix4 n VAL 72 Ca 0.17 0.17 -0.51 0.00 -0.01 0.00 0.00 64.34 64.16 3ix4 n VAL 72 Cb 0.25 -1.54 -0.10 0.00 -0.91 0.00 0.00 33.84 31.54 3ix4 n VAL 72 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3ix4 n ASP 73 N -3.22 0.70 0.27 4.52 -0.08 0.16 -4.81 116.55 114.10 3ix4 n ASP 73 Ca -0.00 0.65 0.18 0.00 -1.51 0.00 0.00 54.79 54.11 3ix4 n ASP 73 Cb 0.29 -0.75 0.90 0.00 2.34 0.00 0.00 41.12 43.91 3ix4 n ASP 73 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3ix4 h PRO 74 N 6.85 0.00 0.00 -0.67 0.13 -1.89 -2.58 132.00 133.84 3ix4 h PRO 74 Ca -0.14 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.87 3ix4 h PRO 74 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 3ix4 h PRO 74 CO 0.89 0.00 -0.57 1.79 -0.23 0.00 0.00 178.00 179.88 3ix4 h THR 75 N 0.00 1.17 0.08 1.56 1.35 -1.93 -3.02 112.91 112.12 3ix4 h THR 75 Ca 0.00 -2.13 -0.00 0.00 -0.55 0.00 0.00 66.41 63.73 3ix4 h THR 75 Cb 0.15 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3ix4 h THR 75 CO 0.00 0.56 -0.04 0.58 -0.25 0.00 0.00 175.52 176.37 3ix4 h VAL 76 N 0.00 1.15 -0.91 6.82 2.07 -1.77 -1.65 116.25 121.96 3ix4 h VAL 76 Ca -0.01 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 3ix4 h VAL 76 Cb 1.18 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 32.65 3ix4 h VAL 76 CO 0.07 0.22 0.57 0.77 0.02 0.00 0.00 177.57 179.22 3ix4 h SER 77 N -0.53 1.08 -0.62 0.57 4.64 -1.69 -2.36 113.55 114.64 3ix4 h SER 77 Ca -0.01 -0.05 0.07 0.00 -0.47 0.00 0.00 61.79 61.33 3ix4 h SER 77 Cb 0.45 -0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 62.21 3ix4 h SER 77 CO 0.02 0.81 0.30 -0.74 -0.87 0.00 0.00 176.83 176.35 3ix4 h HIS 78 N 1.25 0.54 -0.08 4.77 6.17 -1.42 -2.33 115.15 124.05 3ix4 h HIS 78 Ca 0.33 0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.41 3ix4 h HIS 78 Cb -0.08 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 29.69 3ix4 h HIS 78 CO 0.00 0.22 -0.07 0.00 0.71 0.00 0.00 177.93 178.79 3ix4 h THR 80 N 0.12 0.00 -0.00 0.00 1.35 -1.21 -3.31 112.91 109.85 3ix4 h THR 80 Ca 0.03 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3ix4 h THR 80 Cb 0.21 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 3ix4 h THR 80 CO 0.01 0.00 -0.19 0.00 -0.25 0.00 0.00 175.52 175.09 3ix4 n GLN 81 N -2.83 5.61 -3.83 4.72 6.02 -0.59 -5.07 117.38 121.41 3ix4 n GLN 81 Ca 0.01 -0.01 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 3ix4 n GLN 81 Cb 0.29 -0.70 -0.08 0.00 1.02 0.00 0.00 30.24 30.77 3ix4 n GLN 81 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3ix4 s SER 82 N -1.38 0.02 0.00 1.08 0.15 -0.55 -5.02 113.70 108.01 3ix4 s SER 82 Ca 0.02 -0.41 0.21 0.00 0.70 0.00 0.00 55.95 56.47 3ix4 s SER 82 Cb 0.03 0.32 0.23 0.00 -1.71 0.00 0.00 66.02 64.89 3ix4 s SER 82 CO 0.17 -0.62 1.22 1.33 1.20 0.00 0.00 173.24 176.54 3ix4 n VAL 83 N 0.46 0.15 -3.73 4.45 0.24 -1.26 -4.66 118.33 113.97 3ix4 n VAL 83 Ca -0.18 -0.58 -0.33 0.00 -2.04 0.00 0.00 64.34 61.21 3ix4 n VAL 83 Cb 0.60 1.30 -0.05 0.00 -1.47 0.00 0.00 33.84 34.22 3ix4 n VAL 83 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3ix4 s LEU 84 N -1.66 4.34 0.62 1.34 1.43 -1.26 -4.61 118.68 118.88 3ix4 s LEU 84 Ca 0.28 0.57 -0.19 0.00 -1.03 0.00 0.00 54.13 53.76 3ix4 s LEU 84 Cb 0.19 -2.90 -0.02 0.00 0.03 0.00 0.00 46.19 43.48 3ix4 s LEU 84 CO 0.27 0.18 1.31 -2.16 0.23 0.00 0.00 176.35 176.19 3ix4 s PRO 85 N -2.08 2.73 -0.16 1.29 0.04 -1.26 -4.45 135.00 131.11 3ix4 s PRO 85 Ca 0.32 2.11 0.01 0.00 0.04 0.00 0.00 61.00 63.48 3ix4 s PRO 85 Cb -0.13 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.46 3ix4 s PRO 85 CO 0.20 -1.47 -0.20 -1.50 0.04 0.00 0.00 177.00 174.07 3ix4 s ILE 86 N -1.37 2.18 0.27 0.56 2.07 -0.49 -4.98 121.20 119.44 3ix4 s ILE 86 Ca 0.79 -0.92 -0.19 0.00 -1.41 0.00 0.00 60.65 58.93 3ix4 s ILE 86 Cb -0.38 -1.90 -0.09 0.00 0.13 0.00 0.00 42.46 40.22 3ix4 s ILE 86 CO 0.42 0.54 0.76 -0.36 -1.91 0.00 0.00 174.94 174.38 3ix4 s PHE 87 N 1.08 3.55 -1.31 3.50 0.40 -1.26 -0.99 117.98 122.95 3ix4 s PHE 87 Ca -0.00 1.38 -0.18 0.00 -0.60 0.00 0.00 56.93 57.53 3ix4 s PHE 87 Cb -0.14 -2.63 0.04 0.00 0.51 0.00 0.00 43.02 40.80 3ix4 s PHE 87 CO -0.07 0.23 1.88 0.91 0.70 0.00 0.00 175.22 178.87 3ix4 n TRP 88 N 0.31 4.17 -3.99 0.36 8.01 -0.12 -4.90 117.44 121.28 3ix4 n TRP 88 Ca 0.00 -2.74 -0.31 0.00 -1.31 0.00 0.00 57.50 53.14 3ix4 n TRP 88 Cb 0.52 -2.59 -0.05 0.00 -2.01 0.00 0.00 31.31 27.17 3ix4 n TRP 88 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.69 175.47 3ix4 s GLU 89 N 4.18 3.18 0.38 -0.99 0.41 -1.26 -4.59 118.70 120.01 3ix4 s GLU 89 Ca 0.54 -0.53 0.16 0.00 -0.41 0.00 0.00 54.97 54.73 3ix4 s GLU 89 Cb 0.06 -2.90 1.05 0.00 -1.78 0.00 0.00 34.13 30.56 3ix4 s GLU 89 CO 0.04 0.61 1.77 -1.35 -0.49 0.00 0.00 175.26 175.85 3ix4 h PRO 90 N 3.39 0.44 0.00 0.39 0.11 -1.97 -1.57 132.00 132.78 3ix4 h PRO 90 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3ix4 h PRO 90 Cb 1.17 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3ix4 h PRO 90 CO 0.69 0.29 0.00 0.66 -0.21 0.00 0.00 178.00 179.43 3ix4 h SER 91 N 0.45 0.00 1.36 -2.05 4.64 -1.96 -2.63 113.55 113.35 3ix4 h SER 91 Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 3ix4 h SER 91 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 3ix4 h SER 91 CO -0.31 0.00 -0.30 0.16 -0.87 0.00 0.00 176.83 175.51 3ix4 h ILE 92 N 0.00 0.00 -3.08 0.95 3.07 -1.63 -3.41 117.51 113.42 3ix4 h ILE 92 Ca 0.00 -0.66 -0.73 0.00 1.55 0.00 0.00 64.86 65.02 3ix4 h ILE 92 Cb 0.04 1.48 -0.22 0.00 -0.27 0.00 0.00 36.82 37.85 3ix4 h ILE 92 CO 0.00 0.00 0.11 -0.31 -1.05 0.00 0.00 178.15 176.90 3ix4 s TYR 93 N -3.17 3.22 -0.25 0.16 1.51 -0.99 -4.75 117.35 113.07 3ix4 s TYR 93 Ca 0.07 -1.29 -0.15 0.00 -1.01 0.00 0.00 57.07 54.69 3ix4 s TYR 93 Cb 0.11 -3.96 -0.11 0.00 -0.11 0.00 0.00 41.96 37.89 3ix4 s TYR 93 CO 0.67 -1.19 -0.31 1.04 -1.11 0.00 0.00 175.55 174.65 3ix4 n GLN 94 N 5.64 0.57 -1.76 -0.62 6.02 -1.26 -4.62 117.38 121.35 3ix4 n GLN 94 Ca -0.02 0.28 -0.29 0.00 -0.01 0.00 0.00 57.00 56.96 3ix4 n GLN 94 Cb 0.43 -1.50 0.11 0.00 1.02 0.00 0.00 30.24 30.30 3ix4 n GLN 94 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3ix4 s THR 95 N -2.57 2.00 0.18 5.09 -4.23 -1.26 -4.87 115.64 109.98 3ix4 s THR 95 Ca -0.36 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.02 3ix4 s THR 95 Cb 0.12 -2.90 0.07 0.00 1.34 0.00 0.00 72.50 71.13 3ix4 s THR 95 CO 0.48 0.00 1.79 -0.09 -0.54 0.00 0.00 174.62 176.26 3ix4 h ARG 96 N -1.24 0.49 -0.32 3.99 9.65 -1.99 -1.60 114.38 123.36 3ix4 h ARG 96 Ca -0.48 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.32 3ix4 h ARG 96 Cb 1.33 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.78 3ix4 h ARG 96 CO 0.64 0.32 -0.03 0.87 2.80 0.00 0.00 179.97 184.58 3ix4 h LYS 97 N 0.50 0.50 -0.04 0.20 1.57 -1.98 -0.31 116.57 117.01 3ix4 h LYS 97 Ca 0.22 -0.11 -0.16 0.00 -1.87 0.00 0.00 60.65 58.72 3ix4 h LYS 97 Cb 0.12 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3ix4 h LYS 97 CO -0.15 0.55 -0.70 1.96 -0.57 0.00 0.00 179.45 180.54 3ix4 h GLN 98 N 0.48 0.22 -0.23 3.15 4.20 -1.81 0.22 115.11 121.34 3ix4 h GLN 98 Ca 0.10 -0.18 -0.13 0.00 0.06 0.00 0.00 58.65 58.50 3ix4 h GLN 98 Cb 0.35 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3ix4 h GLN 98 CO 0.01 0.83 -0.40 0.45 -0.67 0.00 0.00 178.83 179.06 3ix4 h HIS 99 N 0.15 0.65 -0.29 2.96 3.86 -0.83 -1.13 115.15 120.53 3ix4 h HIS 99 Ca -0.02 -0.18 -0.15 0.00 -1.16 0.00 0.00 60.37 58.85 3ix4 h HIS 99 Cb 1.25 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.58 3ix4 h HIS 99 CO 0.02 0.86 -0.44 1.49 0.86 0.00 0.00 177.93 180.72 3ix4 h GLU 100 N 0.45 0.73 -0.05 2.45 4.22 -0.81 -2.27 114.58 119.31 3ix4 h GLU 100 Ca 0.04 -0.41 -0.00 0.00 0.08 0.00 0.00 59.36 59.07 3ix4 h GLU 100 Cb 0.89 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 3ix4 h GLU 100 CO 0.08 1.03 0.03 0.35 -2.18 0.00 0.00 179.01 178.31 3ix4 h PHE 101 N 0.59 0.06 -0.96 0.92 3.57 -0.45 -2.42 116.94 118.25 3ix4 h PHE 101 Ca 0.04 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.66 3ix4 h PHE 101 Cb 1.00 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 39.64 3ix4 h PHE 101 CO 0.05 0.08 0.59 0.35 -2.23 0.00 0.00 178.31 177.15 3ix4 h PHE 102 N 0.02 1.07 0.19 0.41 3.57 -1.14 -1.08 116.94 119.98 3ix4 h PHE 102 Ca 0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3ix4 h PHE 102 Cb 0.04 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.45 3ix4 h PHE 102 CO -0.06 0.41 -0.09 1.49 -2.23 0.00 0.00 178.31 177.83 3ix4 h GLU 103 N 0.93 -0.24 -0.44 1.11 4.81 -1.24 -1.85 114.58 117.67 3ix4 h GLU 103 Ca 0.48 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.70 3ix4 h GLU 103 Cb 0.48 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 3ix4 h GLU 103 CO -0.27 -0.12 0.19 0.93 -0.73 0.00 0.00 179.01 179.01 3ix4 h GLU 104 N -0.30 0.64 -0.63 1.92 4.39 -1.02 -1.08 114.58 118.50 3ix4 h GLU 104 Ca -0.03 -0.11 0.01 0.00 0.34 0.00 0.00 59.36 59.57 3ix4 h GLU 104 Cb 0.23 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 3ix4 h GLU 104 CO 0.04 0.58 0.42 0.00 -1.16 0.00 0.00 179.01 178.89 3ix4 h ALA 105 N 1.03 0.80 -0.18 3.43 0.00 -1.20 -1.62 119.26 121.53 3ix4 h ALA 105 Ca 0.15 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3ix4 h ALA 105 Cb 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3ix4 h ALA 105 CO -0.01 0.23 -0.42 0.66 0.00 0.00 0.00 179.25 179.70 3ix4 h SER 106 N 0.85 0.45 0.18 0.00 4.64 -1.08 -0.25 113.55 118.34 3ix4 h SER 106 Ca 0.23 -0.20 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 3ix4 h SER 106 Cb -0.09 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 3ix4 h SER 106 CO -0.05 0.83 -0.18 0.00 -0.87 0.00 0.00 176.83 176.56 3ix4 h ALA 107 N 1.19 1.70 -0.00 5.18 0.00 -0.84 -0.21 119.26 126.27 3ix4 h ALA 107 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ix4 h ALA 107 Cb 0.89 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3ix4 h ALA 107 CO 0.08 0.22 -0.04 0.00 0.00 0.00 0.00 179.25 179.50 3ix4 n ALA 108 N -2.50 2.58 0.00 0.00 0.00 -0.64 -4.90 120.51 115.04 3ix4 n ALA 108 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3ix4 n ALA 108 Cb 0.24 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3ix4 n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ix4 n GLY 109 N 1.31 0.66 3.28 0.00 0.00 -0.09 -4.92 105.19 105.42 3ix4 n GLY 109 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 3ix4 n GLY 109 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ix4 s LEU 110 N 0.00 6.40 -0.09 0.99 1.43 -0.17 -4.84 118.68 122.39 3ix4 s LEU 110 Ca 0.00 -2.63 -0.07 0.00 -1.03 0.00 0.00 54.13 50.40 3ix4 s LEU 110 Cb 0.00 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 3ix4 s LEU 110 CO 0.00 -0.56 -0.16 0.55 0.23 0.00 0.00 176.35 176.41 3ix4 n VAL 111 N 4.01 0.95 -4.16 -1.59 3.14 -1.26 -3.16 118.33 116.25 3ix4 n VAL 111 Ca 0.10 -0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.13 3ix4 n VAL 111 Cb 0.44 -1.77 -0.08 0.00 -1.06 0.00 0.00 33.84 31.37 3ix4 n VAL 111 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 3ix4 s TYR 112 N -2.30 3.32 -3.75 1.45 1.51 -1.26 -4.92 117.35 111.40 3ix4 s TYR 112 Ca -0.16 0.30 0.00 0.00 -1.01 0.00 0.00 57.07 56.20 3ix4 s TYR 112 Cb 0.05 -1.82 0.00 0.00 -0.11 0.00 0.00 41.96 40.08 3ix4 s TYR 112 CO 0.21 0.57 0.00 0.41 -1.11 0.00 0.00 175.55 175.63 3ix4 n GLY 113 N 1.87 -0.69 3.35 0.71 0.00 -1.26 -1.26 105.19 107.91 3ix4 n GLY 113 Ca -0.18 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 3ix4 n GLY 113 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3ix4 s LEU 114 N 0.00 0.14 -0.14 0.99 2.34 -0.53 -0.94 118.68 120.54 3ix4 s LEU 114 Ca 0.00 -0.20 0.02 0.00 0.06 0.00 0.00 54.13 54.00 3ix4 s LEU 114 Cb 0.00 2.04 0.02 0.00 -0.56 0.00 0.00 46.19 47.68 3ix4 s LEU 114 CO 0.00 -0.87 -0.18 -0.89 -1.06 0.00 0.00 176.35 173.35 3ix4 s THR 115 N -3.68 1.78 -0.37 5.48 2.01 -0.16 -1.15 115.64 119.56 3ix4 s THR 115 Ca 0.02 -0.79 -0.13 0.00 0.31 0.00 0.00 61.69 61.09 3ix4 s THR 115 Cb 0.01 -1.61 -0.00 0.00 0.01 0.00 0.00 72.50 70.91 3ix4 s THR 115 CO -0.11 0.50 0.26 -0.04 -0.69 0.00 0.00 174.62 174.53 3ix4 s MET 116 N 1.07 3.28 0.53 4.92 1.00 0.47 -1.39 119.30 129.18 3ix4 s MET 116 Ca -0.03 -0.79 -0.22 0.00 0.00 0.00 0.00 55.69 54.65 3ix4 s MET 116 Cb -0.14 -3.86 -0.05 0.00 0.00 0.00 0.00 34.83 30.77 3ix4 s MET 116 CO -0.05 -0.56 1.30 -2.14 0.00 0.00 0.00 175.02 173.57 3ix4 s PRO 117 N 1.70 3.29 -0.13 2.03 0.02 -1.26 -0.69 135.00 139.96 3ix4 s PRO 117 Ca 0.06 2.10 0.02 0.00 0.02 0.00 0.00 61.00 63.20 3ix4 s PRO 117 Cb -0.18 -2.28 0.00 0.00 0.02 0.00 0.00 34.50 32.06 3ix4 s PRO 117 CO 0.10 -1.03 -0.20 -0.51 -0.33 0.00 0.00 177.00 175.03 3ix4 s LEU 118 N -3.42 2.23 -0.24 -5.54 1.43 0.52 -4.83 118.68 108.82 3ix4 s LEU 118 Ca 0.70 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 53.23 3ix4 s LEU 118 Cb -0.37 -1.48 0.08 0.00 0.03 0.00 0.00 46.19 44.45 3ix4 s LEU 118 CO 0.44 0.10 0.06 -1.00 0.23 0.00 0.00 176.35 176.18 3ix4 s HIS 119 N 0.69 1.29 0.70 0.29 3.76 -1.26 -0.69 115.29 120.08 3ix4 s HIS 119 Ca -0.09 -1.22 -0.09 0.00 -0.15 0.00 0.00 55.06 53.52 3ix4 s HIS 119 Cb -0.16 -1.28 0.04 0.00 1.11 0.00 0.00 32.58 32.29 3ix4 s HIS 119 CO 0.01 -0.73 1.04 0.20 -0.85 0.00 0.00 174.74 174.42 3ix4 s GLY 120 N 1.76 1.64 0.57 -2.22 0.00 0.04 -4.94 107.32 104.17 3ix4 s GLY 120 Ca 0.03 -0.70 0.32 0.00 0.00 0.00 0.00 44.72 44.38 3ix4 s GLY 120 CO -0.16 -0.31 2.14 0.00 0.00 0.00 0.00 173.10 174.78 3ix4 h ALA 121 N -0.62 1.20 -0.34 3.20 0.00 -1.98 -2.51 119.26 118.22 3ix4 h ALA 121 Ca -0.45 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3ix4 h ALA 121 Cb 1.29 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3ix4 h ALA 121 CO 0.62 0.08 0.01 0.54 0.00 0.00 0.00 179.25 180.50 3ix4 n ARG 122 N -3.45 3.17 -0.65 0.00 5.12 -1.26 -4.93 116.66 114.66 3ix4 n ARG 122 Ca -0.02 -2.93 0.00 0.00 -1.93 0.00 0.00 57.85 52.97 3ix4 n ARG 122 Cb 0.20 -1.93 0.00 0.00 -1.16 0.00 0.00 32.46 29.57 3ix4 n ARG 122 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ix4 n GLY 123 N -0.38 0.72 3.74 -0.13 0.00 -0.94 -4.57 105.19 103.62 3ix4 n GLY 123 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 3ix4 n GLY 123 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ix4 n GLU 124 N -2.46 2.49 -5.19 1.61 4.71 -1.26 -3.33 120.64 117.21 3ix4 n GLU 124 Ca 0.00 0.88 -0.32 0.00 -0.01 0.00 0.00 57.16 57.71 3ix4 n GLU 124 Cb 0.00 -2.58 -0.17 0.00 -1.01 0.00 0.00 31.44 27.68 3ix4 n GLU 124 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3ix4 s LEU 125 N -1.15 2.07 0.00 -4.62 2.96 0.12 -0.78 118.68 117.29 3ix4 s LEU 125 Ca 0.58 -0.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 3ix4 s LEU 125 Cb -0.52 -1.38 0.00 0.00 0.50 0.00 0.00 46.19 44.79 3ix4 s LEU 125 CO 0.58 0.15 0.00 0.61 -1.32 0.00 0.00 176.35 176.37 3ix4 n GLY 126 N 3.54 2.32 3.33 7.98 0.00 0.14 0.38 105.19 122.88 3ix4 n GLY 126 Ca -0.19 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 3ix4 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ix4 s ALA 127 N -1.00 -1.08 -0.35 4.61 0.00 -0.27 -0.36 121.76 123.32 3ix4 s ALA 127 Ca 0.00 1.17 -0.05 0.00 0.00 0.00 0.00 51.96 53.08 3ix4 s ALA 127 Cb 0.00 -0.64 0.06 0.00 0.00 0.00 0.00 23.12 22.54 3ix4 s ALA 127 CO 0.00 -0.21 0.11 -1.17 0.00 0.00 0.00 175.76 174.49 3ix4 s LEU 128 N 0.08 4.43 -0.13 0.00 2.96 0.14 -0.98 118.68 125.18 3ix4 s LEU 128 Ca -0.01 -1.33 -0.06 0.00 -0.22 0.00 0.00 54.13 52.51 3ix4 s LEU 128 Cb -0.03 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 3ix4 s LEU 128 CO 0.01 -0.36 0.09 -0.44 -1.32 0.00 0.00 176.35 174.33 3ix4 s SER 129 N 1.51 5.96 -0.04 3.68 0.01 -0.22 -0.39 113.70 124.22 3ix4 s SER 129 Ca -0.01 0.30 0.01 0.00 1.31 0.00 0.00 55.95 57.56 3ix4 s SER 129 Cb -0.20 -1.91 0.02 0.00 0.21 0.00 0.00 66.02 64.13 3ix4 s SER 129 CO 0.01 0.33 -0.03 -0.76 0.41 0.00 0.00 173.24 173.20 3ix4 s LEU 130 N -0.58 1.34 -0.09 2.44 1.02 -0.30 -1.14 118.68 121.37 3ix4 s LEU 130 Ca 0.12 -0.10 -0.00 0.00 0.02 0.00 0.00 54.13 54.16 3ix4 s LEU 130 Cb -0.12 -0.38 -0.03 0.00 0.02 0.00 0.00 46.19 45.69 3ix4 s LEU 130 CO 0.02 -0.06 -0.08 -0.55 0.02 0.00 0.00 176.35 175.71 3ix4 s SER 131 N 0.86 4.54 -0.13 2.29 0.15 -0.26 -1.45 113.70 119.71 3ix4 s SER 131 Ca -0.11 -0.10 -0.02 0.00 0.70 0.00 0.00 55.95 56.41 3ix4 s SER 131 Cb -0.14 -1.34 -0.03 0.00 -1.71 0.00 0.00 66.02 62.81 3ix4 s SER 131 CO -0.00 0.29 -0.04 0.54 1.20 0.00 0.00 173.24 175.23 3ix4 s VAL 132 N -0.38 3.90 -0.14 4.45 0.11 -0.39 -3.26 120.40 124.69 3ix4 s VAL 132 Ca 0.05 -0.37 -0.29 0.00 -2.93 0.00 0.00 61.98 58.44 3ix4 s VAL 132 Cb -0.12 -2.67 -0.02 0.00 -1.53 0.00 0.00 36.38 32.03 3ix4 s VAL 132 CO 0.02 0.53 1.23 -1.61 -3.33 0.00 0.00 175.10 171.95 3ix4 s GLU 133 N -0.07 4.27 0.07 1.54 2.02 -1.26 -4.33 118.70 120.94 3ix4 s GLU 133 Ca 0.02 1.65 -0.16 0.00 0.02 0.00 0.00 54.97 56.49 3ix4 s GLU 133 Cb -0.13 -3.70 0.03 0.00 0.10 0.00 0.00 34.13 30.43 3ix4 s GLU 133 CO 0.03 -0.63 0.37 0.00 0.02 0.00 0.00 175.26 175.05 3ix4 s ALA 134 N 3.12 -0.87 -0.12 5.21 0.00 -1.26 -4.97 121.76 122.88 3ix4 s ALA 134 Ca 0.54 0.10 0.21 0.00 0.00 0.00 0.00 51.96 52.82 3ix4 s ALA 134 Cb -0.22 0.43 -0.21 0.00 0.00 0.00 0.00 23.12 23.12 3ix4 s ALA 134 CO 0.16 -0.49 0.64 0.39 0.00 0.00 0.00 175.76 176.45 3ix4 n GLU 135 N 0.32 0.64 -3.87 0.00 1.02 -1.26 -4.99 120.64 112.51 3ix4 n GLU 135 Ca -0.18 -0.04 -0.09 0.00 -0.02 0.00 0.00 57.16 56.83 3ix4 n GLU 135 Cb 0.61 -1.64 -0.06 0.00 -0.02 0.00 0.00 31.44 30.32 3ix4 n GLU 135 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3ix4 s ASN 136 N -5.01 -0.01 0.18 1.62 4.22 -1.26 -5.08 114.94 109.61 3ix4 s ASN 136 Ca -0.06 -0.70 -0.07 0.00 -2.14 0.00 0.00 52.86 49.90 3ix4 s ASN 136 Cb 0.11 0.43 0.08 0.00 1.28 0.00 0.00 41.25 43.16 3ix4 s ASN 136 CO 0.86 -0.87 1.55 -0.09 -2.04 0.00 0.00 177.10 176.50 3ix4 h ARG 137 N 2.53 0.81 -0.91 3.55 9.65 -1.99 -1.14 114.38 126.88 3ix4 h ARG 137 Ca -0.32 -0.40 0.03 0.00 -1.10 0.00 0.00 59.98 58.20 3ix4 h ARG 137 Cb 1.23 -0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.75 3ix4 h ARG 137 CO 0.49 1.03 0.59 0.00 2.80 0.00 0.00 179.97 184.88 3ix4 h ALA 138 N 0.93 1.20 0.21 2.80 0.00 -1.99 0.00 119.26 122.42 3ix4 h ALA 138 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ix4 h ALA 138 Cb 0.89 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ix4 h ALA 138 CO 0.08 0.46 -0.10 1.49 0.00 0.00 0.00 179.25 181.18 3ix4 h GLU 139 N 1.15 -0.27 -0.62 0.00 4.81 -1.92 -1.13 114.58 116.60 3ix4 h GLU 139 Ca 0.36 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.66 3ix4 h GLU 139 Cb -0.00 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 3ix4 h GLU 139 CO -0.12 -0.09 0.35 0.00 -0.73 0.00 0.00 179.01 178.42 3ix4 h ALA 140 N 0.38 0.82 -0.55 2.92 0.00 -0.84 0.01 119.26 122.00 3ix4 h ALA 140 Ca -0.03 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3ix4 h ALA 140 Cb 0.30 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3ix4 h ALA 140 CO 0.05 0.03 -0.04 -0.91 0.00 0.00 0.00 179.25 178.38 3ix4 h ASN 141 N 0.65 0.98 -0.69 0.00 2.35 -0.97 -0.30 115.58 117.60 3ix4 h ASN 141 Ca 0.27 -0.32 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 3ix4 h ASN 141 Cb 0.15 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 3ix4 h ASN 141 CO -0.17 1.06 0.26 0.03 -1.65 0.00 0.00 177.43 176.97 3ix4 h ARG 142 N 0.86 1.04 -0.05 0.81 3.08 -0.83 0.20 114.38 119.49 3ix4 h ARG 142 Ca 0.15 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3ix4 h ARG 142 Cb 0.59 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 3ix4 h ARG 142 CO 0.04 0.87 0.03 0.74 -1.07 0.00 0.00 179.97 180.58 3ix4 h PHE 143 N 0.99 0.07 -0.17 3.04 0.05 -0.78 -2.11 116.94 118.03 3ix4 h PHE 143 Ca 0.23 0.00 -0.06 0.00 3.82 0.00 0.00 57.97 61.96 3ix4 h PHE 143 Cb 0.23 -0.02 -0.00 0.00 2.00 0.00 0.00 35.95 38.15 3ix4 h PHE 143 CO 0.02 0.07 -0.11 0.52 -0.18 0.00 0.00 178.31 178.62 3ix4 h MET 144 N 0.05 0.37 -0.96 1.51 2.86 -0.85 -3.15 114.93 114.76 3ix4 h MET 144 Ca 0.02 -0.18 0.07 0.00 -2.06 0.00 0.00 59.70 57.55 3ix4 h MET 144 Cb 0.02 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.61 3ix4 h MET 144 CO -0.00 0.71 0.62 0.93 1.06 0.00 0.00 176.91 180.23 3ix4 h GLU 145 N 0.03 1.08 0.00 1.72 5.08 -0.64 -1.34 114.58 120.50 3ix4 h GLU 145 Ca 0.03 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3ix4 h GLU 145 Cb 0.62 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 3ix4 h GLU 145 CO 0.03 0.71 -0.10 0.66 -1.00 0.00 0.00 179.01 179.31 3ix4 h SER 146 N 1.11 0.00 -0.02 1.42 4.64 -1.34 -2.99 113.55 116.37 3ix4 h SER 146 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3ix4 h SER 146 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3ix4 h SER 146 CO -0.16 0.10 0.00 1.33 -0.87 0.00 0.00 176.83 177.23 3ix4 n VAL 147 N -3.49 0.30 -0.19 0.95 0.24 -1.03 -4.84 118.33 110.27 3ix4 n VAL 147 Ca -0.01 -0.65 -0.01 0.00 -2.04 0.00 0.00 64.34 61.62 3ix4 n VAL 147 Cb 0.24 0.89 0.09 0.00 -1.47 0.00 0.00 33.84 33.59 3ix4 n VAL 147 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3ix4 h LEU 148 N 0.45 0.22 -1.22 1.34 5.85 -1.09 -0.58 115.31 120.29 3ix4 h LEU 148 Ca 0.00 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3ix4 h LEU 148 Cb 0.23 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3ix4 h LEU 148 CO 0.00 0.15 0.26 -0.65 -0.34 0.00 0.00 178.44 177.86 3ix4 h PRO 149 N 0.40 0.80 -0.34 5.25 0.11 -1.88 0.51 132.00 136.85 3ix4 h PRO 149 Ca 0.28 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 66.24 3ix4 h PRO 149 Cb 0.31 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 3ix4 h PRO 149 CO -0.27 0.63 0.04 1.15 -0.21 0.00 0.00 178.00 179.34 3ix4 h THR 150 N 0.80 1.24 -0.89 -1.15 2.02 -1.73 -2.72 112.91 110.49 3ix4 h THR 150 Ca 0.20 -0.87 0.04 0.00 0.77 0.00 0.00 66.41 66.55 3ix4 h THR 150 Cb 0.10 1.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 3ix4 h THR 150 CO -0.02 0.29 0.58 -0.07 0.37 0.00 0.00 175.52 176.67 3ix4 h LEU 151 N 0.40 0.94 -1.01 2.58 3.38 -0.71 -0.35 115.31 120.55 3ix4 h LEU 151 Ca 0.10 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3ix4 h LEU 151 Cb 0.38 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3ix4 h LEU 151 CO 0.01 0.64 0.32 -0.25 0.09 0.00 0.00 178.44 179.25 3ix4 h TRP 152 N 1.09 1.03 -0.13 1.13 2.91 -0.73 -0.88 115.95 120.37 3ix4 h TRP 152 Ca 0.36 -0.05 -0.07 0.00 1.13 0.00 0.00 58.89 60.26 3ix4 h TRP 152 Cb 0.05 -0.32 -0.00 0.00 -0.51 0.00 0.00 29.16 28.38 3ix4 h TRP 152 CO -0.00 0.76 -0.18 0.52 -1.03 0.00 0.00 178.44 178.51 3ix4 h MET 153 N 1.02 0.35 -0.60 2.65 2.86 -1.17 -3.32 114.93 116.71 3ix4 h MET 153 Ca 0.24 -0.20 0.12 0.00 -2.06 0.00 0.00 59.70 57.80 3ix4 h MET 153 Cb 0.14 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 31.72 3ix4 h MET 153 CO -0.03 0.78 0.05 1.25 1.06 0.00 0.00 176.91 180.02 3ix4 h LEU 154 N -0.06 -0.16 -1.42 1.22 5.85 -0.43 -2.19 115.31 118.12 3ix4 h LEU 154 Ca 0.01 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3ix4 h LEU 154 Cb 0.74 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 3ix4 h LEU 154 CO 0.04 -0.07 0.35 0.07 -0.34 0.00 0.00 178.44 178.50 3ix4 h LYS 155 N 0.17 0.74 0.02 1.25 5.09 -1.28 0.24 116.57 122.79 3ix4 h LYS 155 Ca 0.31 -0.05 -0.25 0.00 0.09 0.00 0.00 60.65 60.76 3ix4 h LYS 155 Cb 0.49 -0.16 0.02 0.00 0.10 0.00 0.00 32.23 32.68 3ix4 h LYS 155 CO -0.47 0.50 -0.97 -0.44 -2.09 0.00 0.00 179.45 175.98 3ix4 h ASP 156 N 0.76 0.83 -0.74 7.07 3.32 -1.55 -0.66 116.42 125.44 3ix4 h ASP 156 Ca 0.20 -0.76 0.04 0.00 0.02 0.00 0.00 57.03 56.54 3ix4 h ASP 156 Cb -0.06 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.19 3ix4 h ASP 156 CO -0.04 1.48 0.46 1.88 -1.72 0.00 0.00 179.24 181.29 3ix4 h TYR 157 N 0.26 0.85 -0.50 4.55 -1.99 -1.03 0.09 116.97 119.20 3ix4 h TYR 157 Ca -0.13 0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.57 3ix4 h TYR 157 Cb 1.64 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 40.08 3ix4 h TYR 157 CO 0.12 0.46 0.07 0.00 -0.00 0.00 0.00 178.16 178.80 3ix4 h ALA 158 N 1.34 0.67 -0.07 3.88 0.00 -0.47 -2.06 119.26 122.53 3ix4 h ALA 158 Ca 0.31 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ix4 h ALA 158 Cb 0.09 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3ix4 h ALA 158 CO -0.14 0.42 0.04 1.25 0.00 0.00 0.00 179.25 180.82 3ix4 h LEU 159 N 0.71 0.09 -0.56 0.00 5.85 -0.87 0.35 115.31 120.87 3ix4 h LEU 159 Ca 0.15 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 3ix4 h LEU 159 Cb 0.42 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3ix4 h LEU 159 CO 0.01 0.13 0.15 -0.61 -0.34 0.00 0.00 178.44 177.79 3ix4 h GLN 160 N 0.04 0.89 -0.07 1.25 5.75 -0.86 -1.01 115.11 121.10 3ix4 h GLN 160 Ca 0.03 -0.21 -0.09 0.00 -0.15 0.00 0.00 58.65 58.23 3ix4 h GLN 160 Cb 0.06 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.50 3ix4 h GLN 160 CO -0.00 0.83 -0.30 1.03 -2.65 0.00 0.00 178.83 177.73 3ix4 h SER 161 N 0.80 0.39 0.02 -0.69 0.87 -1.38 -3.36 113.55 110.19 3ix4 h SER 161 Ca 0.18 -0.64 -0.10 0.00 -1.23 0.00 0.00 61.79 60.00 3ix4 h SER 161 Cb 0.33 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 3ix4 h SER 161 CO -0.00 0.96 -0.30 1.23 -0.53 0.00 0.00 176.83 178.19 3ix4 h GLY 162 N -0.16 0.45 0.37 5.77 0.00 -0.15 -2.87 103.07 106.48 3ix4 h GLY 162 Ca -0.02 -0.39 0.11 0.00 0.00 0.00 0.00 47.33 47.04 3ix4 h GLY 162 CO 0.06 0.35 0.37 0.00 0.00 0.00 0.00 176.54 177.33 3ix4 h ALA 163 N 1.32 1.07 0.00 3.60 0.00 -1.33 0.08 119.26 124.00 3ix4 h ALA 163 Ca 0.05 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ix4 h ALA 163 Cb 0.71 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3ix4 h ALA 163 CO 0.05 -0.07 -0.01 0.78 0.00 0.00 0.00 179.25 180.01 3ix4 h GLY 164 N 0.60 0.00 0.33 0.00 0.00 -1.63 -2.91 103.07 99.46 3ix4 h GLY 164 Ca 0.39 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.37 3ix4 h GLY 164 CO -0.31 0.00 -2.16 1.04 0.00 0.00 0.00 176.54 175.11 3ix4 n LEU 165 N -3.14 0.47 0.44 3.11 4.77 -0.24 -4.65 117.00 117.76 3ix4 n LEU 165 Ca -0.02 0.13 -0.18 0.00 -0.03 0.00 0.00 56.01 55.91 3ix4 n LEU 165 Cb 0.16 0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 3ix4 n LEU 165 CO 0.23 0.49 0.50 0.00 -1.33 0.00 0.00 177.39 177.29 3ix4 h ALA 166 N 0.94 -1.13 0.00 -1.18 0.00 -0.86 -3.46 119.26 113.56 3ix4 h ALA 166 Ca -0.46 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3ix4 h ALA 166 Cb 2.15 0.44 0.00 0.00 0.00 0.00 0.00 17.79 20.38 3ix4 h ALA 166 CO 0.04 -1.08 0.00 1.97 0.00 0.00 0.00 179.25 180.18 3ix4 n PHE 167 N -5.54 -3.12 1.01 0.00 1.16 -1.24 -4.99 117.46 104.74 3ix4 n PHE 167 Ca -0.15 0.75 0.08 0.00 -1.87 0.00 0.00 57.45 56.26 3ix4 n PHE 167 Cb 0.45 1.98 0.48 0.00 -1.61 0.00 0.00 39.48 40.78 3ix4 n PHE 167 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98