#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wd4 s LYS 3 N 0.00 4.06 -0.35 1.61 -0.14 -1.26 -4.67 119.74 118.99 2wd4 s LYS 3 Ca 0.00 0.08 0.03 0.00 -1.36 0.00 0.00 55.97 54.72 2wd4 s LYS 3 Cb 0.00 -3.35 0.10 0.00 -1.68 0.00 0.00 37.83 32.90 2wd4 s LYS 3 CO 0.00 0.41 0.08 0.45 -0.76 0.00 0.00 175.35 175.52 2wd4 s SER 4 N -0.03 4.59 0.22 2.83 0.15 -0.29 -5.05 113.70 116.11 2wd4 s SER 4 Ca 0.17 -2.13 -0.30 0.00 0.70 0.00 0.00 55.95 54.39 2wd4 s SER 4 Cb -0.13 -1.48 -0.08 0.00 -1.71 0.00 0.00 66.02 62.61 2wd4 s SER 4 CO 0.05 -0.37 1.04 -0.31 1.20 0.00 0.00 173.24 174.84 2wd4 s TYR 5 N 0.94 3.73 0.67 3.44 2.02 -1.26 -4.62 117.35 122.27 2wd4 s TYR 5 Ca 0.11 1.74 -0.14 0.00 -0.37 0.00 0.00 57.07 58.42 2wd4 s TYR 5 Cb -0.19 -3.17 0.00 0.00 -0.40 0.00 0.00 41.96 38.20 2wd4 s TYR 5 CO -0.10 -0.20 1.09 -1.25 -1.57 0.00 0.00 175.55 173.52 2wd4 s PRO 6 N -0.86 2.82 0.13 -1.71 0.04 -1.26 -5.01 135.00 129.14 2wd4 s PRO 6 Ca 0.45 1.25 -0.30 0.00 0.04 0.00 0.00 61.00 62.44 2wd4 s PRO 6 Cb -0.28 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 2wd4 s PRO 6 CO 0.35 -1.22 1.09 -0.08 0.04 0.00 0.00 177.00 177.19 2wd4 s THR 7 N -2.57 4.08 0.16 1.26 -1.32 -1.26 -4.89 115.64 111.10 2wd4 s THR 7 Ca 0.64 1.68 0.10 0.00 -1.21 0.00 0.00 61.69 62.89 2wd4 s THR 7 Cb -0.18 -4.07 -0.04 0.00 -1.51 0.00 0.00 72.50 66.70 2wd4 s THR 7 CO 0.45 0.23 -0.21 0.68 -2.21 0.00 0.00 174.62 173.57 2wd4 s VAL 8 N 0.21 2.00 0.91 5.08 -7.23 -1.26 -5.04 120.40 115.07 2wd4 s VAL 8 Ca 0.51 -1.89 -0.10 0.00 -1.81 0.00 0.00 61.98 58.69 2wd4 s VAL 8 Cb -0.28 -1.90 0.14 0.00 0.56 0.00 0.00 36.38 34.90 2wd4 s VAL 8 CO 0.32 -0.19 1.12 -0.94 -0.31 0.00 0.00 175.10 175.10 2wd4 s SER 9 N -2.52 3.04 0.26 4.85 1.04 -1.26 -4.80 113.70 114.31 2wd4 s SER 9 Ca 0.16 2.02 -0.03 0.00 0.48 0.00 0.00 55.95 58.58 2wd4 s SER 9 Cb -0.07 -2.51 0.40 0.00 0.10 0.00 0.00 66.02 63.93 2wd4 s SER 9 CO 0.07 -3.00 1.86 0.00 0.98 0.00 0.00 173.24 173.16 2wd4 h ALA 10 N -1.79 1.32 -0.71 5.32 0.00 -2.00 -1.53 119.26 119.86 2wd4 h ALA 10 Ca -0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2wd4 h ALA 10 Cb 1.27 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2wd4 h ALA 10 CO 0.45 0.33 0.38 -0.44 0.00 0.00 0.00 179.25 179.97 2wd4 h ASP 11 N 1.05 0.88 -0.24 0.00 3.32 -1.99 -0.12 116.42 119.31 2wd4 h ASP 11 Ca 0.42 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.38 2wd4 h ASP 11 Cb 0.23 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2wd4 h ASP 11 CO -0.19 0.71 0.10 0.22 -1.72 0.00 0.00 179.24 178.36 2wd4 h TYR 12 N 0.99 0.37 -0.61 4.55 5.03 -1.66 -1.74 116.97 123.89 2wd4 h TYR 12 Ca 0.25 -0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.48 2wd4 h TYR 12 Cb 0.03 -0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.18 2wd4 h TYR 12 CO 0.01 0.38 0.17 0.37 -1.32 0.00 0.00 178.16 177.76 2wd4 h GLN 13 N 0.25 0.94 -0.76 1.82 5.75 -0.84 -0.85 115.11 121.42 2wd4 h GLN 13 Ca 0.08 -0.19 -0.00 0.00 -0.15 0.00 0.00 58.65 58.39 2wd4 h GLN 13 Cb 0.16 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.53 2wd4 h GLN 13 CO -0.01 0.82 0.48 0.87 -2.65 0.00 0.00 178.83 178.34 2wd4 h LYS 14 N 0.90 1.02 -0.61 1.69 1.57 -0.87 -1.74 116.57 118.54 2wd4 h LYS 14 Ca 0.20 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 2wd4 h LYS 14 Cb 0.29 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 2wd4 h LYS 14 CO -0.00 0.71 0.13 0.00 -0.57 0.00 0.00 179.45 179.71 2wd4 h ALA 15 N 1.26 1.08 -0.32 3.86 0.00 -0.68 -1.38 119.26 123.07 2wd4 h ALA 15 Ca 0.27 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2wd4 h ALA 15 Cb -0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2wd4 h ALA 15 CO -0.05 0.61 0.19 0.28 0.00 0.00 0.00 179.25 180.27 2wd4 h VAL 16 N 0.92 1.05 -0.40 0.00 2.07 -0.67 0.13 116.25 119.36 2wd4 h VAL 16 Ca 0.19 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 2wd4 h VAL 16 Cb 0.36 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2wd4 h VAL 16 CO 0.00 0.07 0.18 -0.33 0.02 0.00 0.00 177.57 177.51 2wd4 h GLU 17 N 0.39 0.58 -0.45 1.57 4.39 -1.02 0.05 114.58 120.10 2wd4 h GLU 17 Ca 0.12 -0.10 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 2wd4 h GLU 17 Cb -0.01 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 2wd4 h GLU 17 CO -0.05 0.53 -0.16 -0.22 -1.16 0.00 0.00 179.01 177.95 2wd4 h LYS 18 N 0.50 0.91 -0.59 2.33 1.63 -1.10 -2.83 116.57 117.41 2wd4 h LYS 18 Ca 0.13 -0.37 -0.05 0.00 -0.85 0.00 0.00 60.65 59.51 2wd4 h LYS 18 Cb 0.15 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.72 2wd4 h LYS 18 CO -0.01 1.02 0.15 0.00 -3.45 0.00 0.00 179.45 177.16 2wd4 h ALA 19 N 0.86 1.15 -0.40 5.00 0.00 -0.55 -1.45 119.26 123.87 2wd4 h ALA 19 Ca 0.11 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2wd4 h ALA 19 Cb 0.72 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2wd4 h ALA 19 CO 0.06 0.58 0.19 -0.22 0.00 0.00 0.00 179.25 179.85 2wd4 h LYS 20 N 0.88 0.37 0.01 0.00 3.64 -0.84 0.21 116.57 120.84 2wd4 h LYS 20 Ca 0.19 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2wd4 h LYS 20 Cb 0.30 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2wd4 h LYS 20 CO -0.00 0.25 -0.00 0.87 -2.27 0.00 0.00 179.45 178.29 2wd4 h LYS 21 N 0.38 -0.01 -0.82 1.90 1.57 -1.24 -1.68 116.57 116.67 2wd4 h LYS 21 Ca 0.17 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2wd4 h LYS 21 Cb 0.10 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 2wd4 h LYS 21 CO -0.13 0.06 0.49 0.87 -0.57 0.00 0.00 179.45 180.16 2wd4 h LYS 22 N -0.07 1.12 -0.66 3.15 1.79 -0.97 -1.89 116.57 119.04 2wd4 h LYS 22 Ca -0.00 -0.10 -0.04 0.00 -2.18 0.00 0.00 60.65 58.32 2wd4 h LYS 22 Cb 0.07 -0.23 -0.03 0.00 -1.58 0.00 0.00 32.23 30.46 2wd4 h LYS 22 CO 0.00 0.79 0.24 -0.07 -1.08 0.00 0.00 179.45 179.33 2wd4 h LEU 23 N 1.14 0.91 0.23 2.94 3.38 -0.39 -0.93 115.31 122.59 2wd4 h LEU 23 Ca 0.30 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2wd4 h LEU 23 Cb -0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2wd4 h LEU 23 CO -0.05 0.83 -0.18 0.03 0.09 0.00 0.00 178.44 179.15 2wd4 h ARG 24 N 0.96 -0.41 -0.44 1.13 3.08 -0.50 0.45 114.38 118.65 2wd4 h ARG 24 Ca 0.22 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 2wd4 h ARG 24 Cb 0.22 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2wd4 h ARG 24 CO -0.02 -0.27 0.20 0.78 -1.07 0.00 0.00 179.97 179.59 2wd4 h GLY 25 N -0.43 0.69 0.80 0.04 0.00 -1.27 -0.89 103.07 102.01 2wd4 h GLY 25 Ca -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 2wd4 h GLY 25 CO -0.01 0.34 0.02 -2.75 0.00 0.00 0.00 176.54 174.13 2wd4 h PHE 26 N 0.57 0.17 -0.62 5.60 3.57 -1.06 -0.91 116.94 124.25 2wd4 h PHE 26 Ca 0.15 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 2wd4 h PHE 26 Cb 0.15 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 2wd4 h PHE 26 CO -0.01 0.35 0.09 0.82 -2.23 0.00 0.00 178.31 177.33 2wd4 h ILE 27 N -0.06 1.26 -0.14 1.41 2.04 -0.83 -0.63 117.51 120.56 2wd4 h ILE 27 Ca 0.03 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 2wd4 h ILE 27 Cb 0.27 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2wd4 h ILE 27 CO 0.00 0.38 0.06 0.00 0.00 0.00 0.00 178.15 178.59 2wd4 h ALA 28 N 1.02 0.19 -0.74 1.87 0.00 -1.11 -1.56 119.26 118.92 2wd4 h ALA 28 Ca 0.19 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2wd4 h ALA 28 Cb 0.44 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2wd4 h ALA 28 CO 0.01 -0.24 0.31 1.49 0.00 0.00 0.00 179.25 180.83 2wd4 h GLU 29 N 0.09 1.10 0.00 0.00 4.22 -0.98 -2.85 114.58 116.17 2wd4 h GLU 29 Ca 0.05 -0.19 0.00 0.00 0.08 0.00 0.00 59.36 59.30 2wd4 h GLU 29 Cb 0.14 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2wd4 h GLU 29 CO -0.01 0.89 -0.13 1.17 -2.18 0.00 0.00 179.01 178.75 2wd4 n LYS 30 N -4.35 0.14 -2.63 1.92 3.00 -0.26 -4.93 118.16 111.05 2wd4 n LYS 30 Ca 0.06 0.09 -0.18 0.00 -0.00 0.00 0.00 58.31 58.28 2wd4 n LYS 30 Cb 0.17 -1.64 0.01 0.00 0.00 0.00 0.00 35.03 33.57 2wd4 n LYS 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2wd4 n ARG 31 N -1.87 -2.86 -0.41 1.64 1.74 -0.60 -4.91 116.66 109.39 2wd4 n ARG 31 Ca 0.06 0.82 0.08 0.00 -0.77 0.00 0.00 57.85 58.04 2wd4 n ARG 31 Cb 0.39 -5.35 0.25 0.00 -1.02 0.00 0.00 32.46 26.72 2wd4 n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wd4 h ALA 33 N 1.86 0.51 -0.68 0.00 0.00 -1.91 -1.21 119.26 117.83 2wd4 h ALA 33 Ca 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2wd4 h ALA 33 Cb 1.35 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 2wd4 h ALA 33 CO 0.19 -0.38 0.36 -1.35 0.00 0.00 0.00 179.25 178.08 2wd4 h PRO 34 N 0.13 0.95 -0.58 0.00 0.11 -1.89 -0.34 132.00 130.38 2wd4 h PRO 34 Ca 0.27 -0.12 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 2wd4 h PRO 34 Cb 0.40 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.30 2wd4 h PRO 34 CO -0.43 0.72 0.29 1.25 -0.21 0.00 0.00 178.00 179.62 2wd4 h LEU 35 N 0.93 0.73 -0.45 2.35 5.85 -1.79 -0.78 115.31 122.15 2wd4 h LEU 35 Ca 0.24 -0.07 -0.17 0.00 0.84 0.00 0.00 57.88 58.72 2wd4 h LEU 35 Cb 0.05 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 2wd4 h LEU 35 CO -0.04 0.62 -0.58 0.24 -0.34 0.00 0.00 178.44 178.34 2wd4 h MET 36 N 0.82 0.60 -0.48 1.25 2.86 -0.54 -0.18 114.93 119.26 2wd4 h MET 36 Ca 0.20 -0.40 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 2wd4 h MET 36 Cb 0.07 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 2wd4 h MET 36 CO -0.03 1.01 0.18 1.25 1.06 0.00 0.00 176.91 180.39 2wd4 h LEU 37 N 0.45 0.67 -0.61 1.22 5.85 -0.74 -1.24 115.31 120.91 2wd4 h LEU 37 Ca 0.00 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2wd4 h LEU 37 Cb 1.14 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 2wd4 h LEU 37 CO 0.11 0.66 0.39 -0.09 -0.34 0.00 0.00 178.44 179.18 2wd4 h ARG 38 N 0.63 0.80 -0.23 1.25 2.43 -0.97 -0.18 114.38 118.11 2wd4 h ARG 38 Ca 0.16 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 2wd4 h ARG 38 Cb 0.21 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 2wd4 h ARG 38 CO -0.01 0.54 0.03 1.25 -1.51 0.00 0.00 179.97 180.27 2wd4 h LEU 39 N 0.82 -0.03 -0.43 3.80 5.85 -0.81 -1.04 115.31 123.47 2wd4 h LEU 39 Ca 0.22 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 2wd4 h LEU 39 Cb -0.08 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2wd4 h LEU 39 CO -0.05 0.02 0.23 0.00 -0.34 0.00 0.00 178.44 178.30 2wd4 h ALA 40 N 1.18 0.56 0.00 1.25 0.00 -0.95 -2.78 119.26 118.52 2wd4 h ALA 40 Ca 0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2wd4 h ALA 40 Cb 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2wd4 h ALA 40 CO -0.16 0.09 -0.23 0.00 0.00 0.00 0.00 179.25 178.95 2wd4 h ALA 41 N 1.08 1.52 0.11 0.00 0.00 -0.80 -1.83 119.26 119.35 2wd4 h ALA 41 Ca 0.15 -0.21 -0.32 0.00 0.00 0.00 0.00 54.91 54.54 2wd4 h ALA 41 Cb 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2wd4 h ALA 41 CO -0.02 0.29 -1.66 0.45 0.00 0.00 0.00 179.25 178.30 2wd4 h HIS 42 N 0.00 0.44 0.00 0.00 -0.00 -0.91 0.22 115.15 114.90 2wd4 h HIS 42 Ca -0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 60.37 60.05 2wd4 h HIS 42 Cb 0.43 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.83 2wd4 h HIS 42 CO 0.00 1.65 0.00 0.43 -0.00 0.00 0.00 177.93 180.01 2wd4 n SER 43 N -3.78 0.00 0.09 2.45 7.64 -1.17 -3.74 113.62 115.11 2wd4 n SER 43 Ca -0.29 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.46 2wd4 n SER 43 Cb 0.95 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 64.03 2wd4 n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wd4 h ALA 44 N 0.00 0.18 0.00 -0.43 0.00 -1.03 -3.18 119.26 114.80 2wd4 h ALA 44 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.04 2wd4 h ALA 44 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2wd4 h ALA 44 CO 0.00 1.02 0.00 0.41 0.00 0.00 0.00 179.25 180.68 2wd4 n GLY 45 N 1.44 -0.79 0.27 0.00 0.00 0.74 -2.47 105.19 104.38 2wd4 n GLY 45 Ca -0.06 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 45.99 2wd4 n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wd4 n THR 46 N -1.21 0.06 -2.14 2.61 -2.24 -1.26 -4.64 114.28 105.46 2wd4 n THR 46 Ca 0.10 -0.16 -0.42 0.00 -2.27 0.00 0.00 64.05 61.30 2wd4 n THR 46 Cb 0.12 0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.36 2wd4 n THR 46 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2wd4 s PHE 47 N -1.94 3.21 -0.25 4.78 5.36 -1.03 -3.91 117.98 124.20 2wd4 s PHE 47 Ca 0.35 0.99 0.00 0.00 -0.96 0.00 0.00 56.93 57.32 2wd4 s PHE 47 Cb 0.18 -3.70 0.04 0.00 -0.34 0.00 0.00 43.02 39.19 2wd4 s PHE 47 CO 0.29 -2.40 -0.09 0.34 -1.46 0.00 0.00 175.22 171.90 2wd4 s ASP 48 N 0.84 4.26 0.33 6.13 2.15 -0.00 -3.27 116.67 127.11 2wd4 s ASP 48 Ca 0.63 -1.05 0.03 0.00 0.43 0.00 0.00 52.55 52.59 2wd4 s ASP 48 Cb -0.38 -1.61 0.58 0.00 -0.30 0.00 0.00 42.92 41.21 2wd4 s ASP 48 CO 0.34 -0.15 1.88 0.07 -0.17 0.00 0.00 175.17 177.14 2wd4 h LYS 49 N 7.93 0.60 -0.65 4.34 2.10 -0.60 0.15 116.57 130.44 2wd4 h LYS 49 Ca -0.29 -0.11 -0.07 0.00 -2.00 0.00 0.00 60.65 58.18 2wd4 h LYS 49 Cb 1.09 -0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 32.29 2wd4 h LYS 49 CO 0.54 0.58 0.14 0.78 -2.00 0.00 0.00 179.45 179.49 2wd4 h GLY 50 N 0.84 1.12 0.00 0.07 0.00 -1.85 -3.16 103.07 100.09 2wd4 h GLY 50 Ca 0.13 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.76 2wd4 h GLY 50 CO 0.00 0.65 -1.06 -1.30 0.00 0.00 0.00 176.54 174.83 2wd4 n THR 51 N -4.23 0.00 -3.45 4.70 -2.24 -1.14 -4.99 114.28 102.92 2wd4 n THR 51 Ca 0.05 -0.16 -0.24 0.00 -2.27 0.00 0.00 64.05 61.42 2wd4 n THR 51 Cb 0.26 0.79 0.06 0.00 -2.10 0.00 0.00 70.33 69.34 2wd4 n THR 51 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2wd4 n LYS 52 N -1.58 -6.67 -4.29 -0.78 5.02 0.50 -5.01 118.16 105.35 2wd4 n LYS 52 Ca 0.02 0.82 -0.23 0.00 -2.02 0.00 0.00 58.31 56.90 2wd4 n LYS 52 Cb 0.32 -5.79 -0.07 0.00 -0.02 0.00 0.00 35.03 29.47 2wd4 n LYS 52 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wd4 s THR 53 N -3.26 3.50 0.00 -0.18 -4.23 -1.12 -4.95 115.64 105.40 2wd4 s THR 53 Ca 0.51 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 2wd4 s THR 53 Cb -0.23 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.74 2wd4 s THR 53 CO 0.63 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.94 2wd4 n GLY 54 N -0.91 -0.43 0.00 3.99 0.00 -1.26 -0.82 105.19 105.75 2wd4 n GLY 54 Ca -0.06 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2wd4 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wd4 n GLY 55 N 0.00 -3.80 2.66 -0.02 0.00 -1.25 -4.63 105.19 98.15 2wd4 n GLY 55 Ca 0.00 -2.11 -0.39 0.00 0.00 0.00 0.00 46.02 43.52 2wd4 n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wd4 n PRO 56 N -0.02 2.78 -0.81 1.61 -0.04 -1.20 -4.54 135.00 132.78 2wd4 n PRO 56 Ca 0.00 -2.22 0.03 0.00 -0.04 0.00 0.00 63.50 61.27 2wd4 n PRO 56 Cb 0.00 -2.99 0.18 0.00 -0.04 0.00 0.00 33.50 30.65 2wd4 n PRO 56 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2wd4 n PHE 57 N 5.39 0.22 -0.64 0.54 3.72 -1.26 -4.73 117.46 120.70 2wd4 n PHE 57 Ca 0.58 -1.47 0.00 0.00 -0.05 0.00 0.00 57.45 56.52 2wd4 n PHE 57 Cb 0.32 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 2wd4 n PHE 57 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wd4 n GLY 58 N -0.94 1.34 0.24 1.37 0.00 -1.26 -1.12 105.19 104.82 2wd4 n GLY 58 Ca 0.20 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.37 2wd4 n GLY 58 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2wd4 h THR 59 N 0.00 0.00 0.00 2.61 1.35 -1.87 -3.04 112.91 111.97 2wd4 h THR 59 Ca 0.00 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 2wd4 h THR 59 Cb 0.00 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 2wd4 h THR 59 CO 0.00 0.00 0.00 -0.29 -0.25 0.00 0.00 175.52 174.98 2wd4 h ILE 60 N 0.00 0.00 0.00 6.82 6.09 -1.93 -1.12 117.51 127.37 2wd4 h ILE 60 Ca 0.00 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 63.35 2wd4 h ILE 60 Cb 0.55 0.92 0.00 0.00 0.47 0.00 0.00 36.82 38.76 2wd4 h ILE 60 CO 0.00 0.00 0.00 0.07 -3.07 0.00 0.00 178.15 175.15 2wd4 h LYS 61 N 0.00 0.00 -6.54 2.19 2.10 -1.96 -3.37 116.57 109.00 2wd4 h LYS 61 Ca 0.00 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.12 2wd4 h LYS 61 Cb 0.16 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.51 2wd4 h LYS 61 CO 0.00 0.00 0.70 -1.01 -2.00 0.00 0.00 179.45 177.14 2wd4 s HIS 62 N -3.28 3.27 0.42 0.07 3.76 -0.42 -4.92 115.29 114.19 2wd4 s HIS 62 Ca 0.07 1.01 0.18 0.00 -0.15 0.00 0.00 55.06 56.17 2wd4 s HIS 62 Cb 0.09 -3.64 1.10 0.00 1.11 0.00 0.00 32.58 31.24 2wd4 s HIS 62 CO 0.56 -2.21 1.83 -1.00 -0.85 0.00 0.00 174.74 173.07 2wd4 h PRO 63 N 6.76 0.39 -0.42 8.40 0.13 -1.88 -0.65 132.00 144.72 2wd4 h PRO 63 Ca -0.42 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 2wd4 h PRO 63 Cb 1.21 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 2wd4 h PRO 63 CO 0.85 0.26 0.08 0.00 -0.23 0.00 0.00 178.00 178.96 2wd4 h ALA 64 N 1.60 1.34 0.10 -0.56 0.00 -1.92 -1.56 119.26 118.26 2wd4 h ALA 64 Ca 0.51 -0.19 -0.29 0.00 0.00 0.00 0.00 54.91 54.94 2wd4 h ALA 64 Cb 1.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2wd4 h ALA 64 CO -0.21 0.46 -1.48 1.49 0.00 0.00 0.00 179.25 179.52 2wd4 h GLU 65 N 0.62 0.20 0.00 0.00 4.81 -1.42 -3.29 114.58 115.50 2wd4 h GLU 65 Ca 0.14 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 59.01 2wd4 h GLU 65 Cb 0.28 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 2wd4 h GLU 65 CO 0.00 1.05 -0.07 -0.07 -0.73 0.00 0.00 179.01 179.19 2wd4 h LEU 66 N 0.06 0.00 -0.92 1.64 3.38 -1.12 -2.28 115.31 116.06 2wd4 h LEU 66 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2wd4 h LEU 66 Cb 1.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.74 2wd4 h LEU 66 CO 0.15 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.76 2wd4 h ALA 67 N 1.93 1.00 -2.20 1.53 0.00 -1.35 -3.41 119.26 116.75 2wd4 h ALA 67 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 2wd4 h ALA 67 Cb 0.18 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.07 2wd4 h ALA 67 CO 0.01 0.00 0.38 0.72 0.00 0.00 0.00 179.25 180.36 2wd4 n HIS 68 N -3.03 1.79 -0.21 0.00 8.25 -0.86 -4.88 115.22 116.27 2wd4 n HIS 68 Ca 0.02 0.59 -0.00 0.00 -0.26 0.00 0.00 57.72 58.07 2wd4 n HIS 68 Cb 0.38 -2.35 0.22 0.00 1.12 0.00 0.00 29.99 29.36 2wd4 n HIS 68 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2wd4 h SER 69 N 2.88 0.87 0.40 0.41 0.02 -1.89 -1.39 113.55 114.84 2wd4 h SER 69 Ca -0.43 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2wd4 h SER 69 Cb 1.31 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2wd4 h SER 69 CO 0.66 0.67 0.00 0.00 -1.14 0.00 0.00 176.83 177.02 2wd4 h ALA 70 N 1.48 1.00 -0.68 3.77 0.00 -1.95 -2.81 119.26 120.08 2wd4 h ALA 70 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2wd4 h ALA 70 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2wd4 h ALA 70 CO -0.05 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.29 2wd4 n ASN 71 N -2.76 4.46 -4.67 0.00 3.02 -0.52 -4.99 115.26 109.79 2wd4 n ASN 71 Ca -0.01 -2.28 -0.47 0.00 -0.03 0.00 0.00 54.58 51.79 2wd4 n ASN 71 Cb 0.15 -0.54 -0.05 0.00 -0.61 0.00 0.00 39.78 38.73 2wd4 n ASN 71 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wd4 n ASN 72 N 1.32 3.10 0.00 6.41 2.85 -1.06 -1.26 115.26 126.62 2wd4 n ASN 72 Ca 0.25 1.05 0.00 0.00 -0.11 0.00 0.00 54.58 55.77 2wd4 n ASN 72 Cb 0.79 -1.39 0.00 0.00 1.24 0.00 0.00 39.78 40.42 2wd4 n ASN 72 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2wd4 n GLY 73 N 3.69 2.48 0.20 8.20 0.00 -1.26 -4.79 105.19 113.72 2wd4 n GLY 73 Ca 0.19 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.36 2wd4 n GLY 73 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wd4 h LEU 74 N 0.00 0.00 -1.70 0.99 3.38 -1.53 -2.27 115.31 114.18 2wd4 h LEU 74 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2wd4 h LEU 74 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2wd4 h LEU 74 CO 0.00 0.00 0.29 -2.24 0.09 0.00 0.00 178.44 176.58 2wd4 h ASP 75 N 0.00 0.33 -0.19 -0.43 2.03 -1.89 -1.30 116.42 114.99 2wd4 h ASP 75 Ca 0.00 -0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2wd4 h ASP 75 Cb 0.53 -0.07 -0.01 0.00 -0.83 0.00 0.00 39.33 38.95 2wd4 h ASP 75 CO 0.00 0.22 0.12 0.40 -1.03 0.00 0.00 179.24 178.95 2wd4 h ILE 76 N 0.38 1.07 -0.36 4.15 2.04 -1.80 -1.17 117.51 121.83 2wd4 h ILE 76 Ca 0.18 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.88 2wd4 h ILE 76 Cb 0.23 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 2wd4 h ILE 76 CO -0.04 0.07 0.23 0.00 0.00 0.00 0.00 178.15 178.41 2wd4 h ALA 77 N 1.04 0.45 -0.34 1.87 0.00 -1.41 -0.05 119.26 120.82 2wd4 h ALA 77 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wd4 h ALA 77 Cb 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2wd4 h ALA 77 CO -0.01 -0.10 0.20 0.28 0.00 0.00 0.00 179.25 179.61 2wd4 h VAL 78 N 0.47 1.12 -0.50 0.00 2.07 -1.17 -2.38 116.25 115.87 2wd4 h VAL 78 Ca 0.13 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.37 2wd4 h VAL 78 Cb -0.04 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2wd4 h VAL 78 CO -0.04 0.12 0.32 -0.09 0.02 0.00 0.00 177.57 177.90 2wd4 h ARG 79 N 0.43 0.62 -0.70 1.57 2.43 -0.97 -2.57 114.38 115.19 2wd4 h ARG 79 Ca 0.12 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.30 2wd4 h ARG 79 Cb 0.03 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 2wd4 h ARG 79 CO -0.02 0.41 0.46 -0.07 -1.51 0.00 0.00 179.97 179.24 2wd4 h LEU 80 N 0.64 0.68 0.00 3.80 3.38 -0.75 -2.64 115.31 120.43 2wd4 h LEU 80 Ca 0.19 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2wd4 h LEU 80 Cb -0.04 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.56 2wd4 h LEU 80 CO -0.06 0.45 -0.40 0.18 0.09 0.00 0.00 178.44 178.70 2wd4 n LEU 81 N -4.47 0.71 -0.16 1.67 4.77 -0.92 -4.39 117.00 114.21 2wd4 n LEU 81 Ca 0.10 0.34 -0.08 0.00 -0.03 0.00 0.00 56.01 56.34 2wd4 n LEU 81 Cb 0.18 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.05 2wd4 n LEU 81 CO 0.34 -0.08 1.03 -0.33 -1.33 0.00 0.00 177.39 177.01 2wd4 h GLU 82 N 0.00 0.65 -0.73 3.23 4.39 -1.09 0.09 114.58 121.12 2wd4 h GLU 82 Ca 0.00 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.67 2wd4 h GLU 82 Cb 0.72 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.19 2wd4 h GLU 82 CO 0.00 0.49 0.46 -1.35 -1.16 0.00 0.00 179.01 177.45 2wd4 h PRO 83 N 0.63 0.85 -0.42 2.33 0.11 -1.77 -1.49 132.00 132.24 2wd4 h PRO 83 Ca 0.17 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.12 2wd4 h PRO 83 Cb 0.02 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 2wd4 h PRO 83 CO -0.03 0.57 -0.15 1.25 -0.21 0.00 0.00 178.00 179.43 2wd4 h LEU 84 N 0.88 0.86 -1.16 2.35 5.85 -1.73 -2.87 115.31 119.48 2wd4 h LEU 84 Ca 0.30 -0.38 0.10 0.00 0.84 0.00 0.00 57.88 58.74 2wd4 h LEU 84 Cb 0.05 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.77 2wd4 h LEU 84 CO -0.12 1.05 0.59 0.50 -0.34 0.00 0.00 178.44 180.11 2wd4 h LYS 85 N 0.67 0.88 0.00 1.25 1.63 -0.71 -0.27 116.57 120.01 2wd4 h LYS 85 Ca 0.10 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 2wd4 h LYS 85 Cb 0.69 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 32.12 2wd4 h LYS 85 CO 0.05 0.58 -0.04 0.00 -3.45 0.00 0.00 179.45 176.59 2wd4 h ALA 86 N 1.55 1.18 0.00 5.00 0.00 -1.05 0.15 119.26 126.09 2wd4 h ALA 86 Ca 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2wd4 h ALA 86 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2wd4 h ALA 86 CO -0.19 0.05 0.00 0.39 0.00 0.00 0.00 179.25 179.50 2wd4 n GLU 87 N -3.39 0.01 -3.16 0.00 1.02 -0.12 -4.13 120.64 110.86 2wd4 n GLU 87 Ca -0.02 0.05 -0.24 0.00 -0.02 0.00 0.00 57.16 56.93 2wd4 n GLU 87 Cb 0.17 -1.51 -0.05 0.00 -0.02 0.00 0.00 31.44 30.03 2wd4 n GLU 87 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2wd4 n PHE 88 N -1.52 1.83 0.27 -0.32 3.72 0.04 -4.95 117.46 116.53 2wd4 n PHE 88 Ca 0.06 -3.88 0.09 0.00 -0.05 0.00 0.00 57.45 53.68 2wd4 n PHE 88 Cb 0.31 -0.45 0.69 0.00 -0.94 0.00 0.00 39.48 39.10 2wd4 n PHE 88 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wd4 h PRO 89 N 3.43 0.00 0.00 -1.08 0.13 -1.72 -2.35 132.00 130.41 2wd4 h PRO 89 Ca 0.12 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.20 2wd4 h PRO 89 Cb 0.76 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 2wd4 h PRO 89 CO 0.65 0.02 -0.23 0.97 -0.23 0.00 0.00 178.00 179.17 2wd4 h ILE 90 N 0.00 0.84 -3.79 -3.56 2.10 -1.92 -3.44 117.51 107.73 2wd4 h ILE 90 Ca -0.00 -0.92 -0.49 0.00 1.08 0.00 0.00 64.86 64.53 2wd4 h ILE 90 Cb 0.03 1.55 -0.00 0.00 -1.09 0.00 0.00 36.82 37.31 2wd4 h ILE 90 CO 0.00 0.23 0.40 -0.76 -1.08 0.00 0.00 178.15 176.94 2wd4 s LEU 91 N -7.55 4.56 0.59 2.19 1.43 -0.89 -5.03 118.68 113.98 2wd4 s LEU 91 Ca -0.02 2.06 -0.18 0.00 -1.03 0.00 0.00 54.13 54.96 2wd4 s LEU 91 Cb 0.13 -3.68 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 2wd4 s LEU 91 CO 0.65 -0.00 1.17 -0.94 0.23 0.00 0.00 176.35 177.46 2wd4 s SER 92 N -1.13 5.29 0.29 2.29 1.04 -1.26 -4.91 113.70 115.31 2wd4 s SER 92 Ca 0.44 2.28 -0.02 0.00 0.48 0.00 0.00 55.95 59.13 2wd4 s SER 92 Cb -0.27 -2.59 0.44 0.00 0.10 0.00 0.00 66.02 63.70 2wd4 s SER 92 CO 0.34 -1.52 1.95 1.88 0.98 0.00 0.00 173.24 176.88 2wd4 h TYR 93 N 0.83 1.07 -0.22 5.02 -1.99 -1.94 -0.66 116.97 119.08 2wd4 h TYR 93 Ca -0.50 0.03 0.05 0.00 2.00 0.00 0.00 58.73 60.31 2wd4 h TYR 93 Cb 1.28 -0.36 -0.06 0.00 2.00 0.00 0.00 36.73 39.59 2wd4 h TYR 93 CO 0.49 0.65 -0.16 0.00 -0.00 0.00 0.00 178.16 179.14 2wd4 h ALA 94 N 1.47 0.00 -0.45 3.88 0.00 -1.85 0.10 119.26 122.41 2wd4 h ALA 94 Ca 0.33 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 2wd4 h ALA 94 Cb -0.06 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2wd4 h ALA 94 CO -0.08 -0.58 0.07 -0.44 0.00 0.00 0.00 179.25 178.22 2wd4 h ASP 95 N -0.15 0.71 -0.59 0.00 3.32 -1.74 -2.74 116.42 115.23 2wd4 h ASP 95 Ca 0.13 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2wd4 h ASP 95 Cb 0.34 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 2wd4 h ASP 95 CO -0.31 0.79 0.38 0.15 -1.72 0.00 0.00 179.24 178.54 2wd4 h PHE 96 N 0.60 0.74 -0.34 4.55 3.57 -0.44 0.15 116.94 125.78 2wd4 h PHE 96 Ca 0.14 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.50 2wd4 h PHE 96 Cb 0.39 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2wd4 h PHE 96 CO 0.03 0.48 -0.38 1.88 -2.23 0.00 0.00 178.31 178.08 2wd4 h TYR 97 N 0.79 0.96 -0.39 0.41 0.05 -1.02 -0.39 116.97 117.38 2wd4 h TYR 97 Ca 0.21 -0.28 -0.10 0.00 0.05 0.00 0.00 58.73 58.61 2wd4 h TYR 97 Cb -0.08 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.44 2wd4 h TYR 97 CO -0.03 1.06 -0.18 1.96 -1.05 0.00 0.00 178.16 179.91 2wd4 h GLN 98 N 0.66 0.73 -0.78 4.88 1.08 -1.16 -1.86 115.11 118.67 2wd4 h GLN 98 Ca 0.06 -0.27 -0.05 0.00 -1.45 0.00 0.00 58.65 56.93 2wd4 h GLN 98 Cb 0.94 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.29 2wd4 h GLN 98 CO 0.09 0.87 0.28 1.25 -0.95 0.00 0.00 178.83 180.36 2wd4 h LEU 99 N 0.65 1.10 -1.01 1.46 5.85 -0.46 -1.51 115.31 121.39 2wd4 h LEU 99 Ca 0.10 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2wd4 h LEU 99 Cb 0.67 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 2wd4 h LEU 99 CO 0.05 1.00 0.55 0.00 -0.34 0.00 0.00 178.44 179.69 2wd4 h ALA 100 N 1.15 1.26 -0.57 1.25 0.00 -0.81 0.08 119.26 121.62 2wd4 h ALA 100 Ca 0.26 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2wd4 h ALA 100 Cb 0.26 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2wd4 h ALA 100 CO -0.01 0.64 0.12 0.78 0.00 0.00 0.00 179.25 180.77 2wd4 h GLY 101 N 1.25 1.00 0.97 0.00 0.00 -0.78 0.35 103.07 105.87 2wd4 h GLY 101 Ca 0.32 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 2wd4 h GLY 101 CO -0.06 0.60 0.22 -2.08 0.00 0.00 0.00 176.54 175.22 2wd4 h VAL 102 N 0.83 1.18 -0.63 4.60 2.07 -0.93 -2.63 116.25 120.74 2wd4 h VAL 102 Ca 0.18 -0.50 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 2wd4 h VAL 102 Cb 0.37 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2wd4 h VAL 102 CO 0.01 0.19 0.10 0.58 0.02 0.00 0.00 177.57 178.46 2wd4 h VAL 103 N 0.59 1.26 -0.71 2.57 2.07 -0.79 -1.81 116.25 119.42 2wd4 h VAL 103 Ca 0.16 -1.01 0.09 0.00 0.82 0.00 0.00 66.70 66.75 2wd4 h VAL 103 Cb 0.10 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.47 2wd4 h VAL 103 CO -0.02 0.38 0.36 0.00 0.02 0.00 0.00 177.57 178.31 2wd4 h ALA 104 N 1.12 0.97 -0.32 1.67 0.00 -0.69 0.72 119.26 122.73 2wd4 h ALA 104 Ca 0.19 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2wd4 h ALA 104 Cb 0.43 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2wd4 h ALA 104 CO 0.01 -0.02 -0.01 0.28 0.00 0.00 0.00 179.25 179.51 2wd4 h VAL 105 N 0.63 1.26 -0.08 0.00 2.07 -1.18 -3.10 116.25 115.84 2wd4 h VAL 105 Ca 0.34 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 2wd4 h VAL 105 Cb 0.33 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2wd4 h VAL 105 CO -0.25 0.32 0.03 -0.08 0.02 0.00 0.00 177.57 177.61 2wd4 h GLU 106 N 0.37 0.12 0.00 1.57 4.81 -0.46 0.15 114.58 121.14 2wd4 h GLU 106 Ca 0.09 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 2wd4 h GLU 106 Cb 0.47 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2wd4 h GLU 106 CO 0.02 0.24 -0.25 0.28 -0.73 0.00 0.00 179.01 178.57 2wd4 h VAL 107 N -0.02 1.14 -0.08 0.32 2.07 -0.95 -1.13 116.25 117.60 2wd4 h VAL 107 Ca 0.03 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.68 2wd4 h VAL 107 Cb 0.16 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2wd4 h VAL 107 CO -0.00 0.24 0.00 0.35 0.02 0.00 0.00 177.57 178.18 2wd4 n THR 108 N -4.18 0.09 -0.09 2.57 -2.24 -1.17 -4.87 114.28 104.38 2wd4 n THR 108 Ca -0.02 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2wd4 n THR 108 Cb 0.31 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 2wd4 n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wd4 n GLY 109 N 0.96 0.95 2.61 3.38 0.00 -0.43 -0.51 105.19 112.16 2wd4 n GLY 109 Ca 0.15 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 2wd4 n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wd4 n GLY 110 N -2.09 -1.07 3.74 -0.02 0.00 0.53 -4.80 105.19 101.48 2wd4 n GLY 110 Ca 0.00 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 2wd4 n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wd4 s PRO 111 N -4.86 1.91 -0.59 1.61 0.04 -1.26 -4.54 135.00 127.31 2wd4 s PRO 111 Ca 0.50 1.30 -0.25 0.00 0.04 0.00 0.00 61.00 62.59 2wd4 s PRO 111 Cb -0.02 -1.85 0.04 0.00 0.04 0.00 0.00 34.50 32.72 2wd4 s PRO 111 CO 0.35 -1.92 1.04 -1.21 0.04 0.00 0.00 177.00 175.30 2wd4 s GLU 112 N -4.78 3.33 -0.17 4.56 2.02 -1.26 -4.28 118.70 118.12 2wd4 s GLU 112 Ca 0.63 -0.20 -0.27 0.00 0.02 0.00 0.00 54.97 55.15 2wd4 s GLU 112 Cb -0.19 -4.08 -0.01 0.00 0.10 0.00 0.00 34.13 29.95 2wd4 s GLU 112 CO 0.56 -1.64 0.92 0.08 0.02 0.00 0.00 175.26 175.19 2wd4 s VAL 113 N 4.40 4.81 0.47 2.63 1.01 -1.26 -5.00 120.40 127.46 2wd4 s VAL 113 Ca 0.33 1.82 -0.24 0.00 0.00 0.00 0.00 61.98 63.89 2wd4 s VAL 113 Cb -0.11 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 31.97 2wd4 s VAL 113 CO 0.19 -0.03 1.26 -2.65 0.00 0.00 0.00 175.10 173.87 2wd4 n PRO 114 N 5.48 1.76 -4.49 2.72 -0.02 -1.26 -5.00 135.00 134.19 2wd4 n PRO 114 Ca 0.07 0.63 -0.23 0.00 -2.02 0.00 0.00 63.50 61.95 2wd4 n PRO 114 Cb 0.48 -2.41 -0.16 0.00 -0.02 0.00 0.00 33.50 31.39 2wd4 n PRO 114 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2wd4 s PHE 115 N -1.26 1.27 -0.10 6.00 5.36 -1.26 -4.81 117.98 123.18 2wd4 s PHE 115 Ca 0.65 -0.44 0.03 0.00 -0.96 0.00 0.00 56.93 56.21 2wd4 s PHE 115 Cb -0.47 -0.95 0.01 0.00 -0.34 0.00 0.00 43.02 41.26 2wd4 s PHE 115 CO 0.55 -0.24 -0.19 -1.01 -1.46 0.00 0.00 175.22 172.86 2wd4 s HIS 116 N 0.67 2.23 0.71 10.12 3.76 -1.26 -5.14 115.29 126.38 2wd4 s HIS 116 Ca -0.13 -0.98 -0.10 0.00 -0.15 0.00 0.00 55.06 53.69 2wd4 s HIS 116 Cb -0.15 -1.54 0.03 0.00 1.11 0.00 0.00 32.58 32.03 2wd4 s HIS 116 CO 0.03 -0.45 1.08 -1.25 -0.85 0.00 0.00 174.74 173.30 2wd4 s PRO 117 N 0.65 2.63 0.00 8.40 0.04 -1.26 -4.76 135.00 140.70 2wd4 s PRO 117 Ca -0.13 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.18 2wd4 s PRO 117 Cb -0.16 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2wd4 s PRO 117 CO 0.03 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.36 2wd4 n GLY 118 N -3.00 0.56 3.76 0.56 0.00 -1.26 -4.56 105.19 101.24 2wd4 n GLY 118 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2wd4 n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wd4 s ARG 119 N 0.00 4.26 0.04 1.61 0.52 -1.26 -4.94 118.95 119.17 2wd4 s ARG 119 Ca 0.00 2.34 -0.07 0.00 -0.52 0.00 0.00 55.73 57.48 2wd4 s ARG 119 Cb 0.00 -3.07 -0.05 0.00 0.52 0.00 0.00 34.95 32.35 2wd4 s ARG 119 CO 0.00 -0.39 0.30 -1.21 0.02 0.00 0.00 175.30 174.02 2wd4 s GLU 120 N -1.00 3.62 -0.08 3.54 2.02 -1.26 -4.48 118.70 121.06 2wd4 s GLU 120 Ca 0.56 -0.03 -0.30 0.00 0.02 0.00 0.00 54.97 55.22 2wd4 s GLU 120 Cb -0.42 -3.04 -0.03 0.00 0.10 0.00 0.00 34.13 30.74 2wd4 s GLU 120 CO 0.49 0.61 1.21 -0.51 0.02 0.00 0.00 175.26 177.08 2wd4 s ASP 121 N -1.80 7.03 0.04 -0.19 1.01 -1.26 -4.67 116.67 116.82 2wd4 s ASP 121 Ca 0.30 1.79 -0.01 0.00 0.71 0.00 0.00 52.55 55.34 2wd4 s ASP 121 Cb -0.13 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 2wd4 s ASP 121 CO 0.18 -0.62 0.19 -0.54 0.21 0.00 0.00 175.17 174.59 2wd4 s LYS 122 N 2.47 3.39 0.30 8.23 1.02 -0.27 -5.03 119.74 129.85 2wd4 s LYS 122 Ca 0.55 -0.42 0.16 0.00 0.02 0.00 0.00 55.97 56.28 2wd4 s LYS 122 Cb -0.24 -3.03 0.27 0.00 -0.52 0.00 0.00 37.83 34.31 2wd4 s LYS 122 CO 0.20 0.63 1.53 -1.00 -0.92 0.00 0.00 175.35 175.79 2wd4 h PRO 123 N 3.33 0.00 -4.97 -1.68 0.13 -1.95 -3.42 132.00 123.44 2wd4 h PRO 123 Ca -0.46 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.00 2wd4 h PRO 123 Cb 1.17 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.97 2wd4 h PRO 123 CO 0.73 0.51 -0.79 -1.21 -0.23 0.00 0.00 178.00 177.01 2wd4 s GLU 124 N -3.17 2.90 0.58 0.86 0.41 -1.26 -5.09 118.70 113.93 2wd4 s GLU 124 Ca 0.02 -0.92 -0.20 0.00 -0.41 0.00 0.00 54.97 53.46 2wd4 s GLU 124 Cb 0.09 -2.84 -0.03 0.00 -1.78 0.00 0.00 34.13 29.57 2wd4 s GLU 124 CO 0.73 -0.33 1.35 -2.14 -0.49 0.00 0.00 175.26 174.38 2wd4 s PRO 125 N 1.31 2.91 0.84 0.39 0.02 -1.26 -4.88 135.00 134.32 2wd4 s PRO 125 Ca 0.02 2.20 -0.11 0.00 0.02 0.00 0.00 61.00 63.13 2wd4 s PRO 125 Cb -0.15 -2.11 0.09 0.00 0.02 0.00 0.00 34.50 32.35 2wd4 s PRO 125 CO -0.07 -1.36 1.09 -1.25 -0.33 0.00 0.00 177.00 175.08 2wd4 s PRO 126 N -3.08 1.74 0.65 5.54 0.04 -1.26 -5.00 135.00 133.62 2wd4 s PRO 126 Ca 0.76 1.02 -0.17 0.00 0.04 0.00 0.00 61.00 62.65 2wd4 s PRO 126 Cb -0.40 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 2wd4 s PRO 126 CO 0.46 -1.96 1.18 -1.25 0.04 0.00 0.00 177.00 175.46 2wd4 s PRO 127 N -4.91 2.70 0.55 0.56 0.04 -1.26 -4.99 135.00 127.69 2wd4 s PRO 127 Ca 0.62 1.70 -0.20 0.00 0.04 0.00 0.00 61.00 63.17 2wd4 s PRO 127 Cb -0.18 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 2wd4 s PRO 127 CO 0.57 -1.39 1.17 -2.00 0.04 0.00 0.00 177.00 175.39 2wd4 s GLU 128 N -3.66 3.28 0.00 4.56 2.12 -1.26 -4.34 118.70 119.40 2wd4 s GLU 128 Ca 0.74 1.74 0.00 0.00 0.36 0.00 0.00 54.97 57.81 2wd4 s GLU 128 Cb -0.28 -2.06 0.00 0.00 0.26 0.00 0.00 34.13 32.06 2wd4 s GLU 128 CO 0.38 -0.94 0.00 0.41 -0.54 0.00 0.00 175.26 174.57 2wd4 n GLY 129 N 0.36 1.13 0.11 -1.50 0.00 -1.26 -5.00 105.19 99.03 2wd4 n GLY 129 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.19 2wd4 n GLY 129 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wd4 h ARG 130 N 2.26 0.00 -7.06 1.61 3.08 -1.94 -3.47 114.38 108.86 2wd4 h ARG 130 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 2wd4 h ARG 130 Cb 0.00 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.07 2wd4 h ARG 130 CO 0.00 0.16 0.39 -0.51 -1.07 0.00 0.00 179.97 178.94 2wd4 s LEU 131 N -5.64 3.88 0.51 3.04 1.43 -1.26 -4.88 118.68 115.75 2wd4 s LEU 131 Ca -0.01 1.93 -0.21 0.00 -1.03 0.00 0.00 54.13 54.81 2wd4 s LEU 131 Cb 0.09 -4.52 -0.07 0.00 0.03 0.00 0.00 46.19 41.72 2wd4 s LEU 131 CO 0.79 -0.73 1.13 -2.16 0.23 0.00 0.00 176.35 175.61 2wd4 s PRO 132 N -3.15 3.56 -0.27 1.29 0.04 -1.26 -5.01 135.00 130.20 2wd4 s PRO 132 Ca 0.66 1.62 -0.21 0.00 0.04 0.00 0.00 61.00 63.11 2wd4 s PRO 132 Cb -0.17 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 32.21 2wd4 s PRO 132 CO 0.20 -0.68 0.68 0.34 0.04 0.00 0.00 177.00 177.58 2wd4 s ASP 133 N -1.67 6.61 0.21 6.66 -1.08 -1.26 -4.96 116.67 121.17 2wd4 s ASP 133 Ca 0.69 0.68 0.20 0.00 -0.52 0.00 0.00 52.55 53.60 2wd4 s ASP 133 Cb -0.24 -2.36 0.89 0.00 -1.46 0.00 0.00 42.92 39.75 2wd4 s ASP 133 CO 0.28 -0.45 1.60 0.00 0.52 0.00 0.00 175.17 177.12 2wd4 n ALA 134 N 5.87 1.46 1.11 3.66 0.00 -1.26 -2.15 120.51 129.21 2wd4 n ALA 134 Ca 0.01 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.66 2wd4 n ALA 134 Cb 0.49 -1.32 0.32 0.00 0.00 0.00 0.00 19.45 18.94 2wd4 n ALA 134 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wd4 n THR 135 N -2.06 0.00 -2.97 0.00 -2.24 -1.26 -1.59 114.28 104.15 2wd4 n THR 135 Ca 0.01 -0.06 -0.18 0.00 -2.27 0.00 0.00 64.05 61.56 2wd4 n THR 135 Cb 0.16 0.30 0.07 0.00 -2.10 0.00 0.00 70.33 68.75 2wd4 n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2wd4 n LYS 136 N -1.12 0.56 0.00 -0.78 5.02 -0.91 -4.78 118.16 116.14 2wd4 n LYS 136 Ca 0.09 -2.74 0.00 0.00 -2.02 0.00 0.00 58.31 53.64 2wd4 n LYS 136 Cb 0.34 -0.26 0.00 0.00 -0.02 0.00 0.00 35.03 35.08 2wd4 n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wd4 n GLY 137 N -1.37 5.14 0.32 0.72 0.00 -1.26 -3.27 105.19 105.46 2wd4 n GLY 137 Ca 0.15 -1.76 -0.07 0.00 0.00 0.00 0.00 46.02 44.34 2wd4 n GLY 137 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wd4 h SER 138 N 0.00 1.03 -0.51 1.61 0.02 -1.92 -1.13 113.55 112.64 2wd4 h SER 138 Ca 0.00 -0.23 0.02 0.00 -0.84 0.00 0.00 61.79 60.74 2wd4 h SER 138 Cb 0.00 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 2wd4 h SER 138 CO 0.00 1.00 0.31 0.44 -1.14 0.00 0.00 176.83 177.45 2wd4 h ASP 139 N 1.02 0.52 -0.47 3.07 3.32 -1.99 -1.33 116.42 120.56 2wd4 h ASP 139 Ca 0.21 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 2wd4 h ASP 139 Cb 0.40 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 2wd4 h ASP 139 CO 0.01 0.37 0.14 -0.74 -1.72 0.00 0.00 179.24 177.30 2wd4 h HIS 140 N 0.63 0.76 -0.81 4.55 2.76 -1.83 -1.43 115.15 119.78 2wd4 h HIS 140 Ca 0.20 -0.08 0.07 0.00 -2.20 0.00 0.00 60.37 58.36 2wd4 h HIS 140 Cb -0.00 -0.22 -0.06 0.00 1.55 0.00 0.00 27.41 28.67 2wd4 h HIS 140 CO -0.06 0.68 0.48 -0.07 -1.30 0.00 0.00 177.93 177.66 2wd4 h LEU 141 N 0.62 0.73 -0.70 0.26 3.38 -0.89 -1.42 115.31 117.30 2wd4 h LEU 141 Ca 0.15 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 2wd4 h LEU 141 Cb 0.28 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2wd4 h LEU 141 CO -0.00 0.45 -0.38 0.03 0.09 0.00 0.00 178.44 178.63 2wd4 h ARG 142 N 0.86 0.58 -0.58 1.13 3.08 -1.03 0.22 114.38 118.64 2wd4 h ARG 142 Ca 0.37 -0.28 0.02 0.00 0.07 0.00 0.00 59.98 60.16 2wd4 h ARG 142 Cb 0.24 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 2wd4 h ARG 142 CO -0.20 0.86 0.35 -0.44 -1.07 0.00 0.00 179.97 179.48 2wd4 h ASP 143 N 0.48 0.58 0.00 7.04 3.32 -0.63 0.97 116.42 128.19 2wd4 h ASP 143 Ca 0.05 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 2wd4 h ASP 143 Cb 0.87 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.29 2wd4 h ASP 143 CO 0.07 0.41 -0.15 0.58 -1.72 0.00 0.00 179.24 178.43 2wd4 h VAL 144 N 0.70 0.70 -0.13 -1.35 2.07 -1.13 -1.68 116.25 115.44 2wd4 h VAL 144 Ca 0.23 -1.57 -0.18 0.00 0.82 0.00 0.00 66.70 66.00 2wd4 h VAL 144 Cb 0.01 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2wd4 h VAL 144 CO -0.09 0.24 -0.67 -0.26 0.02 0.00 0.00 177.57 176.80 2wd4 h PHE 145 N -1.00 0.70 0.00 1.57 -1.00 -1.07 -1.60 116.94 114.54 2wd4 h PHE 145 Ca -0.03 -0.29 0.00 0.00 2.81 0.00 0.00 57.97 60.46 2wd4 h PHE 145 Cb 0.51 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 39.95 2wd4 h PHE 145 CO 0.08 1.05 -0.16 0.78 -1.61 0.00 0.00 178.31 178.45 2wd4 h GLY 146 N 1.07 0.00 1.15 -1.45 0.00 -1.01 0.21 103.07 103.04 2wd4 h GLY 146 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 2wd4 h GLY 146 CO 0.12 0.00 0.16 0.50 0.00 0.00 0.00 176.54 177.32 2wd4 h LYS 147 N -0.34 1.05 0.00 4.80 1.57 -0.82 -1.29 116.57 121.54 2wd4 h LYS 147 Ca 0.00 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2wd4 h LYS 147 Cb 0.16 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2wd4 h LYS 147 CO 0.00 0.93 -0.32 0.00 -0.57 0.00 0.00 179.45 179.49 2wd4 h ALA 148 N 1.17 0.00 -0.05 3.86 0.00 -1.31 -3.42 119.26 119.51 2wd4 h ALA 148 Ca 0.21 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 2wd4 h ALA 148 Cb 0.36 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2wd4 h ALA 148 CO 0.00 0.32 -0.67 0.52 0.00 0.00 0.00 179.25 179.42 2wd4 h MET 149 N -0.81 0.22 0.00 0.00 2.86 -1.27 0.33 114.93 116.27 2wd4 h MET 149 Ca 0.00 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2wd4 h MET 149 Cb 0.32 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.01 2wd4 h MET 149 CO 0.00 0.81 0.00 0.41 1.06 0.00 0.00 176.91 179.19 2wd4 n GLY 150 N 0.41 0.74 3.94 8.32 0.00 -0.49 -4.67 105.19 113.45 2wd4 n GLY 150 Ca -0.03 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 2wd4 n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wd4 s LEU 151 N 0.00 3.65 0.61 0.99 1.43 0.65 -4.96 118.68 121.05 2wd4 s LEU 151 Ca 0.00 0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 53.56 2wd4 s LEU 151 Cb 0.00 -3.36 0.05 0.00 0.03 0.00 0.00 46.19 42.91 2wd4 s LEU 151 CO 0.00 -0.66 0.87 0.42 0.23 0.00 0.00 176.35 177.20 2wd4 s THR 152 N -2.60 2.51 0.23 5.49 -4.23 -1.26 -4.02 115.64 111.76 2wd4 s THR 152 Ca 0.47 -0.52 -0.07 0.00 -1.18 0.00 0.00 61.69 60.39 2wd4 s THR 152 Cb -0.10 -2.99 0.20 0.00 1.34 0.00 0.00 72.50 70.95 2wd4 s THR 152 CO 0.40 0.00 1.86 0.44 -0.54 0.00 0.00 174.62 176.78 2wd4 h ASP 153 N -0.19 1.09 -0.49 3.99 5.19 -1.99 -1.41 116.42 122.62 2wd4 h ASP 153 Ca -0.43 -0.09 0.06 0.00 -0.62 0.00 0.00 57.03 55.96 2wd4 h ASP 153 Cb 1.30 -0.28 -0.05 0.00 0.18 0.00 0.00 39.33 40.48 2wd4 h ASP 153 CO 0.55 0.86 0.18 -0.61 -3.12 0.00 0.00 179.24 177.10 2wd4 h GLN 154 N 1.23 0.36 -0.95 3.56 4.15 -1.95 -2.33 115.11 119.19 2wd4 h GLN 154 Ca 0.31 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.74 2wd4 h GLN 154 Cb -0.00 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.56 2wd4 h GLN 154 CO -0.05 0.24 0.62 -0.44 -1.93 0.00 0.00 178.83 177.26 2wd4 h ASP 155 N 0.37 1.04 -0.17 -0.69 3.32 -1.72 -0.81 116.42 117.77 2wd4 h ASP 155 Ca 0.23 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.29 2wd4 h ASP 155 Cb 0.23 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2wd4 h ASP 155 CO -0.23 0.73 0.03 0.40 -1.72 0.00 0.00 179.24 178.45 2wd4 h ILE 156 N 1.22 0.92 -0.22 0.35 2.04 -0.75 0.30 117.51 121.36 2wd4 h ILE 156 Ca 0.37 -0.03 -0.11 0.00 1.00 0.00 0.00 64.86 66.08 2wd4 h ILE 156 Cb -0.04 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2wd4 h ILE 156 CO -0.11 0.02 -0.31 0.58 0.00 0.00 0.00 178.15 178.33 2wd4 h VAL 157 N 0.09 1.32 -0.22 1.67 2.07 -1.11 -1.42 116.25 118.66 2wd4 h VAL 157 Ca 0.08 -1.51 0.01 0.00 0.82 0.00 0.00 66.70 66.10 2wd4 h VAL 157 Cb 0.08 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 2wd4 h VAL 157 CO -0.11 0.47 0.11 0.00 0.02 0.00 0.00 177.57 178.06 2wd4 h ALA 158 N 0.64 0.26 -0.36 1.67 0.00 -1.07 -2.73 119.26 117.68 2wd4 h ALA 158 Ca 0.02 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2wd4 h ALA 158 Cb 0.89 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2wd4 h ALA 158 CO 0.07 -0.30 -0.02 -0.07 0.00 0.00 0.00 179.25 178.94 2wd4 h LEU 159 N 0.24 0.54 -1.65 0.00 3.38 -0.91 -1.31 115.31 115.60 2wd4 h LEU 159 Ca 0.09 -0.11 0.13 0.00 0.09 0.00 0.00 57.88 58.08 2wd4 h LEU 159 Cb 0.02 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2wd4 h LEU 159 CO -0.06 0.62 0.45 0.28 0.09 0.00 0.00 178.44 179.83 2wd4 h SER 160 N 0.54 0.34 0.17 -0.43 0.02 -0.96 0.64 113.55 113.88 2wd4 h SER 160 Ca 0.11 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2wd4 h SER 160 Cb 0.38 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2wd4 h SER 160 CO 0.01 0.19 0.00 0.61 -1.14 0.00 0.00 176.83 176.50 2wd4 n GLY 161 N -1.53 -0.93 0.33 -3.77 0.00 -0.49 -1.96 105.19 96.83 2wd4 n GLY 161 Ca 0.12 0.15 0.19 0.00 0.00 0.00 0.00 46.02 46.48 2wd4 n GLY 161 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wd4 h GLY 162 N 0.55 0.00 1.18 -0.02 0.00 -0.95 -0.52 103.07 103.31 2wd4 h GLY 162 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wd4 h GLY 162 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.96 2wd4 n HIS 163 N -3.44 0.00 0.30 5.60 8.25 -0.83 -2.47 115.22 122.63 2wd4 n HIS 163 Ca -0.02 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.63 2wd4 n HIS 163 Cb 0.17 -0.09 0.93 0.00 1.12 0.00 0.00 29.99 32.11 2wd4 n HIS 163 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wd4 h THR 164 N 0.00 0.00 -4.01 1.59 1.03 -1.33 -3.40 112.91 106.79 2wd4 h THR 164 Ca 0.00 -0.14 -0.69 0.00 -0.01 0.00 0.00 66.41 65.57 2wd4 h THR 164 Cb 0.04 1.02 -0.23 0.00 -1.07 0.00 0.00 68.15 67.92 2wd4 h THR 164 CO 0.00 0.00 -0.79 0.27 -0.01 0.00 0.00 175.52 174.99 2wd4 s ILE 165 N -3.86 2.92 0.00 0.00 -4.36 -1.03 -4.54 121.20 110.32 2wd4 s ILE 165 Ca -0.02 -0.97 0.00 0.00 -0.26 0.00 0.00 60.65 59.40 2wd4 s ILE 165 Cb 0.11 -2.19 0.00 0.00 1.25 0.00 0.00 42.46 41.63 2wd4 s ILE 165 CO 0.40 0.46 0.00 0.61 0.24 0.00 0.00 174.94 176.65 2wd4 n GLY 166 N 1.90 -1.79 3.47 6.27 0.00 0.32 -4.88 105.19 110.47 2wd4 n GLY 166 Ca -0.16 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 43.82 2wd4 n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wd4 s ALA 167 N -1.77 -1.69 0.46 4.61 0.00 -1.26 -3.68 121.76 118.43 2wd4 s ALA 167 Ca 0.00 0.86 -0.04 0.00 0.00 0.00 0.00 51.96 52.78 2wd4 s ALA 167 Cb 0.00 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 2wd4 s ALA 167 CO 0.00 -0.60 0.75 0.00 0.00 0.00 0.00 175.76 175.90 2wd4 s ALA 168 N -2.70 3.45 -0.05 0.00 0.00 -0.29 -4.90 121.76 117.28 2wd4 s ALA 168 Ca -0.03 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.38 2wd4 s ALA 168 Cb -0.01 -2.51 0.02 0.00 0.00 0.00 0.00 23.12 20.62 2wd4 s ALA 168 CO -0.04 -0.30 -0.07 -1.01 0.00 0.00 0.00 175.76 174.34 2wd4 s HIS 169 N -2.67 0.95 0.54 0.00 3.76 -0.78 -1.18 115.29 115.91 2wd4 s HIS 169 Ca 0.46 -0.29 0.29 0.00 -0.15 0.00 0.00 55.06 55.37 2wd4 s HIS 169 Cb -0.10 -0.76 1.73 0.00 1.11 0.00 0.00 32.58 34.56 2wd4 s HIS 169 CO 0.43 -0.19 2.21 1.57 -0.85 0.00 0.00 174.74 177.91 2wd4 h LYS 170 N 6.97 0.00 0.00 1.40 2.10 -1.53 -0.10 116.57 125.41 2wd4 h LYS 170 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 2wd4 h LYS 170 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 2wd4 h LYS 170 CO 0.48 0.03 -0.23 -0.85 -2.00 0.00 0.00 179.45 176.88 2wd4 n GLU 171 N -3.79 0.02 0.00 0.07 0.00 -1.26 -3.00 120.64 112.68 2wd4 n GLU 171 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.15 2wd4 n GLU 171 Cb 0.12 -1.52 0.00 0.00 0.00 0.00 0.00 31.44 30.04 2wd4 n GLU 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2wd4 n ARG 172 N -1.56 0.00 0.05 3.44 1.74 -0.09 -4.84 116.66 115.40 2wd4 n ARG 172 Ca 0.06 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.01 2wd4 n ARG 172 Cb 0.35 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.76 2wd4 n ARG 172 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2wd4 h SER 173 N 0.00 0.57 0.00 0.55 4.64 -1.74 -3.47 113.55 114.11 2wd4 h SER 173 Ca 0.00 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2wd4 h SER 173 Cb 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 2wd4 h SER 173 CO 0.00 1.21 0.00 0.61 -0.87 0.00 0.00 176.83 177.78 2wd4 n GLY 174 N 0.81 1.35 3.72 -0.77 0.00 -0.95 -5.01 105.19 104.33 2wd4 n GLY 174 Ca -0.06 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 2wd4 n GLY 174 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wd4 s PHE 175 N -1.43 2.30 -0.17 1.61 0.40 -1.26 -4.33 117.98 115.10 2wd4 s PHE 175 Ca 0.00 1.32 -0.08 0.00 -0.60 0.00 0.00 56.93 57.57 2wd4 s PHE 175 Cb 0.00 -3.15 0.07 0.00 0.51 0.00 0.00 43.02 40.45 2wd4 s PHE 175 CO 0.00 -2.36 0.40 -2.00 0.70 0.00 0.00 175.22 171.96 2wd4 s GLU 176 N -4.91 0.35 0.00 0.44 2.56 -1.26 -1.73 118.70 114.15 2wd4 s GLU 176 Ca 0.63 0.85 0.00 0.00 0.00 0.00 0.00 54.97 56.45 2wd4 s GLU 176 Cb -0.18 0.08 0.00 0.00 2.00 0.00 0.00 34.13 36.02 2wd4 s GLU 176 CO 0.57 -0.19 0.00 0.41 -0.56 0.00 0.00 175.26 175.49 2wd4 n GLY 177 N 4.65 2.13 3.85 -1.50 0.00 -0.33 -4.73 105.19 109.26 2wd4 n GLY 177 Ca -0.18 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.48 2wd4 n GLY 177 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wd4 s PRO 178 N -2.23 3.98 0.33 1.61 0.04 -1.26 -1.14 135.00 136.33 2wd4 s PRO 178 Ca 0.00 0.81 0.18 0.00 0.04 0.00 0.00 61.00 62.03 2wd4 s PRO 178 Cb 0.00 -2.27 0.35 0.00 0.04 0.00 0.00 34.50 32.63 2wd4 s PRO 178 CO 0.00 -0.07 1.58 -1.49 0.04 0.00 0.00 177.00 177.05 2wd4 h TRP 179 N 1.49 0.00 -3.35 0.56 6.55 -1.77 0.10 115.95 119.53 2wd4 h TRP 179 Ca -0.48 0.00 -0.36 0.00 0.95 0.00 0.00 58.89 59.00 2wd4 h TRP 179 Cb 1.18 0.00 -0.14 0.00 -0.86 0.00 0.00 29.16 29.34 2wd4 h TRP 179 CO 0.62 0.42 -0.68 0.95 -1.05 0.00 0.00 178.44 178.70 2wd4 s THR 180 N -3.22 1.07 -0.97 1.49 -4.23 -1.26 -4.55 115.64 103.96 2wd4 s THR 180 Ca 0.03 -2.04 0.23 0.00 -1.18 0.00 0.00 61.69 58.72 2wd4 s THR 180 Cb 0.09 -2.18 0.20 0.00 1.34 0.00 0.00 72.50 71.94 2wd4 s THR 180 CO 0.71 -0.46 1.74 -1.54 -0.54 0.00 0.00 174.62 174.53 2wd4 n SER 181 N -0.35 0.05 -3.39 3.99 3.41 -1.26 -4.05 113.62 112.02 2wd4 n SER 181 Ca -0.07 0.51 -0.26 0.00 -0.26 0.00 0.00 58.87 58.79 2wd4 n SER 181 Cb 0.63 -0.52 -0.09 0.00 -0.26 0.00 0.00 64.21 63.97 2wd4 n SER 181 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2wd4 n ASN 182 N -1.55 1.33 0.00 4.04 6.94 -1.26 -4.99 115.26 119.76 2wd4 n ASN 182 Ca 0.05 -2.88 0.09 0.00 -0.02 0.00 0.00 54.58 51.82 2wd4 n ASN 182 Cb 0.27 -0.64 0.50 0.00 -2.36 0.00 0.00 39.78 37.55 2wd4 n ASN 182 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 2wd4 n PRO 183 N 1.66 0.47 -0.21 -0.53 -0.04 -1.26 -1.42 135.00 133.69 2wd4 n PRO 183 Ca 0.25 0.03 0.06 0.00 -0.04 0.00 0.00 63.50 63.80 2wd4 n PRO 183 Cb 0.46 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.58 2wd4 n PRO 183 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wd4 n LEU 184 N -1.07 2.95 -4.23 1.53 4.77 -1.26 -0.52 117.00 119.17 2wd4 n LEU 184 Ca 0.12 -2.41 -0.34 0.00 -0.03 0.00 0.00 56.01 53.35 2wd4 n LEU 184 Cb 0.08 -0.30 -0.15 0.00 -2.33 0.00 0.00 43.42 40.72 2wd4 n LEU 184 CO 0.11 0.67 -0.47 -0.63 -1.33 0.00 0.00 177.39 175.73 2wd4 s ILE 185 N -1.73 2.64 -0.48 -0.08 -1.09 -0.50 -4.64 121.20 115.33 2wd4 s ILE 185 Ca 0.25 -0.76 -0.25 0.00 -2.23 0.00 0.00 60.65 57.66 2wd4 s ILE 185 Cb 0.18 -2.14 0.03 0.00 -1.58 0.00 0.00 42.46 38.95 2wd4 s ILE 185 CO 0.09 0.50 0.94 0.12 -1.23 0.00 0.00 174.94 175.36 2wd4 s PHE 186 N 1.13 2.89 0.00 3.97 2.19 0.34 -4.52 117.98 123.99 2wd4 s PHE 186 Ca 0.01 0.34 -0.00 0.00 0.33 0.00 0.00 56.93 57.61 2wd4 s PHE 186 Cb -0.14 -4.01 0.00 0.00 -1.31 0.00 0.00 43.02 37.56 2wd4 s PHE 186 CO -0.05 -1.15 0.00 -0.40 1.83 0.00 0.00 175.22 175.45 2wd4 n ASP 187 N 7.26 -0.01 -0.87 6.13 5.68 -1.26 -4.25 116.55 129.22 2wd4 n ASP 187 Ca 0.06 -1.01 0.05 0.00 -0.50 0.00 0.00 54.79 53.39 2wd4 n ASP 187 Cb 0.48 0.01 0.17 0.00 -1.14 0.00 0.00 41.12 40.65 2wd4 n ASP 187 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2wd4 n ASN 188 N -1.75 2.48 0.24 -1.12 6.94 -1.26 -4.43 115.26 116.36 2wd4 n ASN 188 Ca -0.00 -2.18 0.16 0.00 -0.02 0.00 0.00 54.58 52.54 2wd4 n ASN 188 Cb 0.00 -0.38 0.63 0.00 -2.36 0.00 0.00 39.78 37.67 2wd4 n ASN 188 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 2wd4 h SER 189 N 2.03 0.00 -0.72 0.53 4.64 -1.94 -1.72 113.55 116.36 2wd4 h SER 189 Ca 0.00 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.45 2wd4 h SER 189 Cb 0.78 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.78 2wd4 h SER 189 CO 0.10 0.00 0.30 0.22 -0.87 0.00 0.00 176.83 176.57 2wd4 h TYR 190 N 0.00 0.51 -0.06 4.77 3.20 -1.89 0.40 116.97 123.91 2wd4 h TYR 190 Ca 0.00 0.03 -0.22 0.00 3.14 0.00 0.00 58.73 61.68 2wd4 h TYR 190 Cb 0.49 -0.12 0.02 0.00 1.54 0.00 0.00 36.73 38.66 2wd4 h TYR 190 CO 0.00 0.10 -0.84 0.74 -1.64 0.00 0.00 178.16 176.51 2wd4 h PHE 191 N 0.46 0.96 -0.72 -3.82 0.04 -1.67 -1.81 116.94 110.38 2wd4 h PHE 191 Ca 0.39 -0.48 -0.04 0.00 2.80 0.00 0.00 57.97 60.64 2wd4 h PHE 191 Cb 0.54 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.54 2wd4 h PHE 191 CO -0.16 1.31 0.30 1.79 -0.60 0.00 0.00 178.31 180.95 2wd4 h THR 192 N 0.33 1.24 -0.30 -1.55 1.35 -1.36 -1.44 112.91 111.19 2wd4 h THR 192 Ca -0.09 -0.75 -0.07 0.00 -0.55 0.00 0.00 66.41 64.95 2wd4 h THR 192 Cb 1.50 0.37 -0.01 0.00 -1.73 0.00 0.00 68.15 68.28 2wd4 h THR 192 CO 0.17 0.31 -0.10 -0.33 -0.25 0.00 0.00 175.52 175.31 2wd4 h GLU 193 N 1.04 0.60 -0.58 4.72 4.39 -0.92 -2.01 114.58 121.83 2wd4 h GLU 193 Ca 0.24 -0.24 0.10 0.00 0.34 0.00 0.00 59.36 59.80 2wd4 h GLU 193 Cb 0.18 -0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 28.73 2wd4 h GLU 193 CO -0.02 0.81 0.14 -0.07 -1.16 0.00 0.00 179.01 178.71 2wd4 h LEU 194 N 0.36 0.05 -0.45 1.33 3.38 -1.11 -2.81 115.31 116.06 2wd4 h LEU 194 Ca 0.07 0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 2wd4 h LEU 194 Cb 0.60 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2wd4 h LEU 194 CO 0.04 0.04 0.00 -0.07 0.09 0.00 0.00 178.44 178.54 2wd4 h LEU 195 N 0.29 0.78 0.00 1.67 3.38 -1.13 -3.23 115.31 117.06 2wd4 h LEU 195 Ca 0.30 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wd4 h LEU 195 Cb 0.43 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2wd4 h LEU 195 CO -0.37 0.90 0.00 -1.54 0.09 0.00 0.00 178.44 177.52 2wd4 n SER 196 N -4.38 0.00 0.00 -0.43 3.41 -0.77 -4.98 113.62 106.47 2wd4 n SER 196 Ca 0.00 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 2wd4 n SER 196 Cb 0.30 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 2wd4 n SER 196 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wd4 n GLY 197 N -0.24 -2.89 3.61 5.00 0.00 -1.21 -4.89 105.19 104.57 2wd4 n GLY 197 Ca 0.04 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 2wd4 n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wd4 s GLU 198 N -0.54 3.86 0.10 1.61 2.02 -1.26 -4.68 118.70 119.81 2wd4 s GLU 198 Ca 0.00 0.66 -0.11 0.00 0.02 0.00 0.00 54.97 55.53 2wd4 s GLU 198 Cb 0.00 -3.81 -0.06 0.00 0.10 0.00 0.00 34.13 30.36 2wd4 s GLU 198 CO 0.00 -1.00 0.45 0.21 0.02 0.00 0.00 175.26 174.94 2wd4 s LYS 199 N 3.63 3.83 0.32 1.61 2.20 -1.26 -5.06 119.74 125.01 2wd4 s LYS 199 Ca 0.41 0.28 -0.29 0.00 -0.36 0.00 0.00 55.97 56.00 2wd4 s LYS 199 Cb -0.11 -2.98 -0.11 0.00 -1.51 0.00 0.00 37.83 33.12 2wd4 s LYS 199 CO 0.20 0.53 1.53 -1.21 -0.36 0.00 0.00 175.35 176.05 2wd4 s GLU 200 N -1.93 4.14 0.00 4.03 0.41 -1.26 -2.51 118.70 121.58 2wd4 s GLU 200 Ca 0.35 2.54 0.00 0.00 -0.41 0.00 0.00 54.97 57.45 2wd4 s GLU 200 Cb -0.14 -3.01 0.00 0.00 -1.78 0.00 0.00 34.13 29.20 2wd4 s GLU 200 CO 0.18 -0.57 0.00 0.41 -0.49 0.00 0.00 175.26 174.80 2wd4 n GLY 201 N 1.50 1.49 3.62 -1.39 0.00 -1.26 -5.05 105.19 104.11 2wd4 n GLY 201 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 2wd4 n GLY 201 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wd4 s LEU 202 N 0.00 3.17 -0.12 0.99 1.43 -1.04 -4.43 118.68 118.69 2wd4 s LEU 202 Ca 0.00 -0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 52.67 2wd4 s LEU 202 Cb 0.00 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 2wd4 s LEU 202 CO 0.00 0.14 0.07 -0.22 0.23 0.00 0.00 176.35 176.57 2wd4 s LEU 203 N -2.52 3.95 -0.10 1.79 2.96 0.35 -4.78 118.68 120.32 2wd4 s LEU 203 Ca 0.24 0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 54.41 2wd4 s LEU 203 Cb -0.10 -1.95 0.03 0.00 0.50 0.00 0.00 46.19 44.67 2wd4 s LEU 203 CO 0.16 0.35 -0.04 -1.10 -1.32 0.00 0.00 176.35 174.40 2wd4 s GLN 204 N -0.71 1.15 0.55 1.98 -0.21 -1.26 -4.43 119.66 116.73 2wd4 s GLN 204 Ca 0.12 -0.14 -0.16 0.00 0.02 0.00 0.00 55.36 55.20 2wd4 s GLN 204 Cb -0.12 -1.40 -0.06 0.00 1.00 0.00 0.00 33.01 32.43 2wd4 s GLN 204 CO 0.03 -0.30 1.02 -0.51 -2.12 0.00 0.00 175.29 173.40 2wd4 s LEU 205 N 1.81 3.56 0.43 2.90 1.43 -1.26 -4.92 118.68 122.63 2wd4 s LEU 205 Ca 0.05 1.67 0.17 0.00 -1.03 0.00 0.00 54.13 54.98 2wd4 s LEU 205 Cb -0.13 -4.52 1.09 0.00 0.03 0.00 0.00 46.19 42.66 2wd4 s LEU 205 CO -0.07 -0.83 1.89 -0.65 0.23 0.00 0.00 176.35 176.93 2wd4 h PRO 206 N 0.70 0.38 0.00 1.29 0.11 -1.86 -0.88 132.00 131.74 2wd4 h PRO 206 Ca -0.47 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 2wd4 h PRO 206 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2wd4 h PRO 206 CO 0.60 0.25 -0.33 0.66 -0.21 0.00 0.00 178.00 178.97 2wd4 h SER 207 N 0.39 0.00 -0.07 -2.05 4.64 -1.28 -1.64 113.55 113.54 2wd4 h SER 207 Ca 0.41 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.69 2wd4 h SER 207 Cb 1.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2wd4 h SER 207 CO -0.14 0.33 -0.11 0.44 -0.87 0.00 0.00 176.83 176.49 2wd4 h ASP 208 N 0.00 0.22 0.19 4.97 3.32 -1.49 -3.25 116.42 120.38 2wd4 h ASP 208 Ca -0.00 -0.53 -0.03 0.00 0.02 0.00 0.00 57.03 56.49 2wd4 h ASP 208 Cb 0.62 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 2wd4 h ASP 208 CO 0.04 0.71 -0.12 0.11 -1.72 0.00 0.00 179.24 178.26 2wd4 h LYS 209 N -0.26 0.00 0.00 3.56 1.57 -1.07 -2.16 116.57 118.21 2wd4 h LYS 209 Ca 0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2wd4 h LYS 209 Cb 0.66 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 2wd4 h LYS 209 CO 0.03 0.12 -0.03 0.00 -0.57 0.00 0.00 179.45 179.00 2wd4 h ALA 210 N 1.88 1.90 0.00 3.86 0.00 -1.33 -1.53 119.26 124.03 2wd4 h ALA 210 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2wd4 h ALA 210 Cb 0.25 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2wd4 h ALA 210 CO 0.02 0.03 -0.14 -0.07 0.00 0.00 0.00 179.25 179.09 2wd4 h LEU 211 N 0.00 0.00 -0.52 0.00 3.38 -1.51 -3.00 115.31 113.66 2wd4 h LEU 211 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2wd4 h LEU 211 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2wd4 h LEU 211 CO 0.00 0.14 -0.65 -0.07 0.09 0.00 0.00 178.44 177.95 2wd4 h LEU 212 N 0.00 0.00 0.00 1.67 3.38 -1.43 -2.53 115.31 116.40 2wd4 h LEU 212 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wd4 h LEU 212 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2wd4 h LEU 212 CO 0.02 0.65 -1.00 -1.54 0.09 0.00 0.00 178.44 176.66 2wd4 n SER 213 N -3.56 0.92 -4.72 -0.43 3.41 -1.17 -4.66 113.62 103.41 2wd4 n SER 213 Ca -0.00 -0.93 -0.41 0.00 -0.26 0.00 0.00 58.87 57.26 2wd4 n SER 213 Cb 0.69 1.04 -0.04 0.00 -0.26 0.00 0.00 64.21 65.65 2wd4 n SER 213 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wd4 s ASP 214 N -2.98 7.35 0.43 4.04 -1.08 -1.14 -4.96 116.67 118.34 2wd4 s ASP 214 Ca 0.07 1.63 0.16 0.00 -0.52 0.00 0.00 52.55 53.89 2wd4 s ASP 214 Cb 0.15 -2.55 1.07 0.00 -1.46 0.00 0.00 42.92 40.13 2wd4 s ASP 214 CO 0.83 -0.16 1.92 -0.65 0.52 0.00 0.00 175.17 177.64 2wd4 h PRO 215 N 6.31 0.38 0.12 4.34 0.11 -1.92 -0.56 132.00 140.78 2wd4 h PRO 215 Ca -0.42 -0.02 -0.35 0.00 0.11 0.00 0.00 66.00 65.32 2wd4 h PRO 215 Cb 1.21 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2wd4 h PRO 215 CO 0.74 0.25 -1.92 0.28 -0.21 0.00 0.00 178.00 177.14 2wd4 n VAL 216 N -4.47 1.77 -0.17 3.15 0.31 -1.26 -4.38 118.33 113.28 2wd4 n VAL 216 Ca 0.14 -0.60 -0.11 0.00 -0.01 0.00 0.00 64.34 63.77 2wd4 n VAL 216 Cb 0.53 -1.77 0.01 0.00 -0.91 0.00 0.00 33.84 31.70 2wd4 n VAL 216 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2wd4 h PHE 217 N -0.03 1.14 -0.25 3.52 0.04 -1.76 -3.33 116.94 116.27 2wd4 h PHE 217 Ca -0.42 -0.26 0.01 0.00 2.80 0.00 0.00 57.97 60.11 2wd4 h PHE 217 Cb 1.97 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 39.82 2wd4 h PHE 217 CO 0.08 1.08 0.12 -0.09 -0.60 0.00 0.00 178.31 178.91 2wd4 h ARG 218 N 0.88 0.26 -0.13 1.51 9.65 -0.64 -1.56 114.38 124.35 2wd4 h ARG 218 Ca 0.12 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.03 2wd4 h ARG 218 Cb 0.74 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.26 2wd4 h ARG 218 CO 0.06 0.17 0.10 -1.35 2.80 0.00 0.00 179.97 181.75 2wd4 h PRO 219 N 0.26 0.00 -0.15 0.20 0.11 -1.77 -0.50 132.00 130.16 2wd4 h PRO 219 Ca 0.10 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.15 2wd4 h PRO 219 Cb 0.02 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 2wd4 h PRO 219 CO -0.07 0.00 -0.16 -0.07 -0.21 0.00 0.00 178.00 177.50 2wd4 h LEU 220 N 0.00 0.39 -0.49 2.35 3.38 -1.48 -0.98 115.31 118.48 2wd4 h LEU 220 Ca 0.06 -0.49 0.09 0.00 0.09 0.00 0.00 57.88 57.63 2wd4 h LEU 220 Cb 0.25 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 2wd4 h LEU 220 CO -0.00 0.80 0.07 0.58 0.09 0.00 0.00 178.44 179.98 2wd4 h VAL 221 N -0.00 0.69 -0.45 1.22 2.07 -0.63 -0.60 116.25 118.55 2wd4 h VAL 221 Ca 0.02 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.49 2wd4 h VAL 221 Cb 0.69 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2wd4 h VAL 221 CO 0.04 0.04 0.29 0.44 0.02 0.00 0.00 177.57 178.39 2wd4 h ASP 222 N 0.20 0.48 -0.08 0.57 3.32 -1.06 -0.84 116.42 119.00 2wd4 h ASP 222 Ca 0.25 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.30 2wd4 h ASP 222 Cb 0.35 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2wd4 h ASP 222 CO -0.35 0.35 0.05 0.50 -1.72 0.00 0.00 179.24 178.07 2wd4 h LYS 223 N 0.58 0.10 -0.31 3.56 3.64 -0.64 -2.13 116.57 121.37 2wd4 h LYS 223 Ca 0.17 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.45 2wd4 h LYS 223 Cb -0.03 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2wd4 h LYS 223 CO -0.06 0.07 -0.21 1.88 -2.27 0.00 0.00 179.45 178.86 2wd4 h TYR 224 N 0.10 0.65 -0.18 1.91 0.05 -0.93 0.16 116.97 118.73 2wd4 h TYR 224 Ca 0.03 -0.13 -0.07 0.00 0.05 0.00 0.00 58.73 58.61 2wd4 h TYR 224 Cb -0.01 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.56 2wd4 h TYR 224 CO -0.08 0.75 -0.20 0.00 -1.05 0.00 0.00 178.16 177.58 2wd4 h ALA 225 N 1.26 1.33 0.00 3.88 0.00 -1.04 -3.13 119.26 121.55 2wd4 h ALA 225 Ca 0.08 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2wd4 h ALA 225 Cb 0.65 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2wd4 h ALA 225 CO 0.05 0.45 -1.11 0.00 0.00 0.00 0.00 179.25 178.64 2wd4 h ALA 226 N 1.51 0.63 -2.46 0.00 0.00 -0.82 -3.44 119.26 114.68 2wd4 h ALA 226 Ca 0.05 -0.54 -0.55 0.00 0.00 0.00 0.00 54.91 53.88 2wd4 h ALA 226 Cb 0.52 0.14 -0.38 0.00 0.00 0.00 0.00 17.79 18.08 2wd4 h ALA 226 CO 0.03 0.60 -0.83 0.34 0.00 0.00 0.00 179.25 179.39 2wd4 s ASP 227 N -5.79 2.57 0.34 0.00 3.68 0.52 -4.99 116.67 113.00 2wd4 s ASP 227 Ca -0.01 -2.14 0.03 0.00 2.13 0.00 0.00 52.55 52.56 2wd4 s ASP 227 Cb 0.09 -0.24 0.62 0.00 -1.45 0.00 0.00 42.92 41.94 2wd4 s ASP 227 CO 0.79 -0.29 1.94 -0.08 0.13 0.00 0.00 175.17 177.66 2wd4 h GLU 228 N 6.93 0.68 -0.73 4.34 4.81 -1.83 -1.63 114.58 127.14 2wd4 h GLU 228 Ca 0.07 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2wd4 h GLU 228 Cb 0.98 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.19 2wd4 h GLU 228 CO 0.26 0.56 0.47 -0.44 -0.73 0.00 0.00 179.01 179.12 2wd4 h ASP 229 N 0.67 0.78 -0.61 1.04 3.32 -1.94 0.12 116.42 119.80 2wd4 h ASP 229 Ca 0.16 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.13 2wd4 h ASP 229 Cb 0.13 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2wd4 h ASP 229 CO -0.02 0.54 0.09 0.00 -1.72 0.00 0.00 179.24 178.13 2wd4 h ALA 230 N 1.30 0.82 -0.10 3.45 0.00 -1.74 -1.34 119.26 121.64 2wd4 h ALA 230 Ca 0.29 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2wd4 h ALA 230 Cb -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2wd4 h ALA 230 CO -0.10 0.59 -0.01 0.35 0.00 0.00 0.00 179.25 180.08 2wd4 h PHE 231 N 0.93 -0.02 -0.93 0.00 3.57 -0.82 -1.69 116.94 118.00 2wd4 h PHE 231 Ca 0.19 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.73 2wd4 h PHE 231 Cb 0.45 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 2wd4 h PHE 231 CO 0.03 -0.02 0.60 0.74 -2.23 0.00 0.00 178.31 177.44 2wd4 h PHE 232 N 0.03 1.13 0.00 0.41 -1.00 -0.49 0.34 116.94 117.37 2wd4 h PHE 232 Ca 0.05 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.86 2wd4 h PHE 232 Cb 0.06 -0.38 0.00 0.00 3.61 0.00 0.00 35.95 39.24 2wd4 h PHE 232 CO -0.13 0.65 -0.00 0.00 -1.61 0.00 0.00 178.31 177.22 2wd4 h ALA 233 N 1.38 -0.01 -0.37 2.45 0.00 -1.09 -0.79 119.26 120.84 2wd4 h ALA 233 Ca 0.37 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 2wd4 h ALA 233 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2wd4 h ALA 233 CO -0.12 -0.40 -0.23 -0.44 0.00 0.00 0.00 179.25 178.06 2wd4 h ASP 234 N -0.21 0.73 -0.11 0.00 5.19 -0.98 -2.12 116.42 118.93 2wd4 h ASP 234 Ca -0.00 -0.26 -0.00 0.00 -0.62 0.00 0.00 57.03 56.15 2wd4 h ASP 234 Cb 0.21 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 2wd4 h ASP 234 CO 0.00 0.94 0.06 0.22 -3.12 0.00 0.00 179.24 177.34 2wd4 h TYR 235 N 0.63 0.15 -0.85 4.55 5.03 -0.27 -1.05 116.97 125.16 2wd4 h TYR 235 Ca 0.09 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.43 2wd4 h TYR 235 Cb 0.72 -0.05 -0.05 0.00 1.55 0.00 0.00 36.73 38.90 2wd4 h TYR 235 CO 0.03 0.18 0.55 0.00 -1.32 0.00 0.00 178.16 177.61 2wd4 h ALA 236 N 0.95 1.13 -0.12 1.82 0.00 -0.93 0.13 119.26 122.24 2wd4 h ALA 236 Ca 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wd4 h ALA 236 Cb 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2wd4 h ALA 236 CO -0.01 0.37 0.07 1.49 0.00 0.00 0.00 179.25 181.18 2wd4 h GLU 237 N 1.05 0.16 -0.38 0.00 4.81 -1.23 -1.75 114.58 117.25 2wd4 h GLU 237 Ca 0.34 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.50 2wd4 h GLU 237 Cb 0.03 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2wd4 h GLU 237 CO -0.12 0.15 0.01 0.00 -0.73 0.00 0.00 179.01 178.31 2wd4 h ALA 238 N 1.00 0.51 -0.48 2.92 0.00 -0.68 -1.85 119.26 120.67 2wd4 h ALA 238 Ca 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2wd4 h ALA 238 Cb 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2wd4 h ALA 238 CO -0.01 0.27 0.21 1.25 0.00 0.00 0.00 179.25 180.97 2wd4 h HIS 239 N 0.48 0.70 -0.22 0.00 -0.00 -0.76 0.61 115.15 115.97 2wd4 h HIS 239 Ca 0.11 -0.04 0.03 0.00 -0.00 0.00 0.00 60.37 60.47 2wd4 h HIS 239 Cb 0.45 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.61 2wd4 h HIS 239 CO 0.04 0.58 0.02 0.37 -0.00 0.00 0.00 177.93 178.93 2wd4 h GLN 240 N 0.63 0.09 -0.32 5.26 4.15 -1.21 0.88 115.11 124.59 2wd4 h GLN 240 Ca 0.16 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.61 2wd4 h GLN 240 Cb 0.15 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 2wd4 h GLN 240 CO -0.02 0.06 0.13 0.87 -1.93 0.00 0.00 178.83 177.94 2wd4 h LYS 241 N 0.09 0.27 -0.30 1.69 1.57 -0.97 -1.97 116.57 116.95 2wd4 h LYS 241 Ca 0.10 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 2wd4 h LYS 241 Cb 0.12 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 2wd4 h LYS 241 CO -0.16 0.18 0.08 1.25 -0.57 0.00 0.00 179.45 180.24 2wd4 h LEU 242 N 0.28 0.07 -1.09 2.94 5.85 -0.49 -1.49 115.31 121.37 2wd4 h LEU 242 Ca 0.14 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2wd4 h LEU 242 Cb 0.09 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2wd4 h LEU 242 CO -0.13 0.07 0.00 -1.54 -0.34 0.00 0.00 178.44 176.51 2wd4 n SER 243 N -5.05 0.65 -0.49 1.25 3.41 0.27 -2.42 113.62 111.23 2wd4 n SER 243 Ca -0.00 0.72 0.05 0.00 -0.26 0.00 0.00 58.87 59.38 2wd4 n SER 243 Cb 0.12 -0.84 0.13 0.00 -0.26 0.00 0.00 64.21 63.36 2wd4 n SER 243 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wd4 n GLU 244 N -2.28 2.86 -1.69 4.33 1.02 -0.62 -4.83 120.64 119.44 2wd4 n GLU 244 Ca 0.00 -2.01 -0.45 0.00 -0.02 0.00 0.00 57.16 54.69 2wd4 n GLU 244 Cb 0.14 -1.26 -0.04 0.00 -0.02 0.00 0.00 31.44 30.26 2wd4 n GLU 244 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2wd4 n LEU 245 N 0.12 3.57 0.00 -4.62 4.77 -0.87 -1.11 117.00 118.86 2wd4 n LEU 245 Ca 0.10 1.04 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 2wd4 n LEU 245 Cb 0.43 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 2wd4 n LEU 245 CO 0.06 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 2wd4 n GLY 246 N 3.89 0.66 3.45 -0.72 0.00 -1.26 -4.30 105.19 106.92 2wd4 n GLY 246 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2wd4 n GLY 246 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wd4 s PHE 247 N -2.93 2.90 -1.64 1.61 5.36 -0.27 -4.54 117.98 118.48 2wd4 s PHE 247 Ca 0.00 -0.40 -0.02 0.00 -0.96 0.00 0.00 56.93 55.55 2wd4 s PHE 247 Cb 0.00 -1.86 0.00 0.00 -0.34 0.00 0.00 43.02 40.83 2wd4 s PHE 247 CO 0.00 -0.05 0.26 0.00 -1.46 0.00 0.00 175.22 173.97 2wd4 n ALA 248 N 3.28 -0.79 -0.29 11.12 0.00 -1.26 -4.91 120.51 127.67 2wd4 n ALA 248 Ca -0.18 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2wd4 n ALA 248 Cb 0.53 -2.86 0.00 0.00 0.00 0.00 0.00 19.45 17.12 2wd4 n ALA 248 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25