#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xi6 s LYS 3 N 0.00 3.57 -0.36 1.61 -0.14 -1.26 -4.65 119.74 118.50 2xi6 s LYS 3 Ca 0.00 -0.52 0.03 0.00 -1.36 0.00 0.00 55.97 54.12 2xi6 s LYS 3 Cb 0.00 -2.88 0.10 0.00 -1.68 0.00 0.00 37.83 33.38 2xi6 s LYS 3 CO 0.00 0.30 0.09 0.45 -0.76 0.00 0.00 175.35 175.42 2xi6 s SER 4 N 0.21 4.83 0.31 2.83 0.15 -0.43 -5.06 113.70 116.54 2xi6 s SER 4 Ca -0.02 -2.18 -0.28 0.00 0.70 0.00 0.00 55.95 54.16 2xi6 s SER 4 Cb -0.14 -1.66 -0.09 0.00 -1.71 0.00 0.00 66.02 62.41 2xi6 s SER 4 CO 0.03 -0.40 1.11 -0.31 1.20 0.00 0.00 173.24 174.87 2xi6 s TYR 5 N 0.88 3.46 0.65 3.44 2.02 -1.26 -4.62 117.35 121.92 2xi6 s TYR 5 Ca 0.11 1.66 -0.15 0.00 -0.37 0.00 0.00 57.07 58.32 2xi6 s TYR 5 Cb -0.20 -3.29 -0.00 0.00 -0.40 0.00 0.00 41.96 38.07 2xi6 s TYR 5 CO -0.07 -0.70 1.11 -1.25 -1.57 0.00 0.00 175.55 173.07 2xi6 s PRO 6 N -1.71 2.85 0.14 -1.71 0.04 -1.26 -4.99 135.00 128.36 2xi6 s PRO 6 Ca 0.48 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 2xi6 s PRO 6 Cb -0.31 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.21 2xi6 s PRO 6 CO 0.39 -1.21 1.09 0.99 0.04 0.00 0.00 177.00 178.31 2xi6 s THR 7 N -2.35 4.02 0.13 1.26 2.01 -1.26 -4.89 115.64 114.56 2xi6 s THR 7 Ca 0.67 1.67 0.09 0.00 0.31 0.00 0.00 61.69 64.42 2xi6 s THR 7 Cb -0.20 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 2xi6 s THR 7 CO 0.41 0.25 -0.21 0.68 -0.69 0.00 0.00 174.62 175.06 2xi6 s VAL 8 N 0.05 1.84 0.80 3.82 -7.23 -1.26 -5.05 120.40 113.38 2xi6 s VAL 8 Ca 0.51 -1.71 -0.13 0.00 -1.81 0.00 0.00 61.98 58.84 2xi6 s VAL 8 Cb -0.28 -1.72 0.08 0.00 0.56 0.00 0.00 36.38 35.01 2xi6 s VAL 8 CO 0.33 -0.13 1.19 -0.94 -0.31 0.00 0.00 175.10 175.24 2xi6 s SER 9 N -2.20 3.69 0.30 4.85 1.04 -1.26 -4.79 113.70 115.33 2xi6 s SER 9 Ca 0.11 2.29 0.05 0.00 0.48 0.00 0.00 55.95 58.88 2xi6 s SER 9 Cb -0.09 -2.58 0.72 0.00 0.10 0.00 0.00 66.02 64.17 2xi6 s SER 9 CO 0.05 -2.59 1.79 0.00 0.98 0.00 0.00 173.24 173.47 2xi6 h ALA 10 N -0.94 1.66 -0.24 5.32 0.00 -2.01 -0.58 119.26 122.48 2xi6 h ALA 10 Ca -0.46 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 2xi6 h ALA 10 Cb 1.29 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2xi6 h ALA 10 CO 0.47 -0.01 -0.22 -0.44 0.00 0.00 0.00 179.25 179.05 2xi6 h ASP 11 N 0.80 0.43 -0.23 0.00 3.32 -1.99 -0.50 116.42 118.25 2xi6 h ASP 11 Ca 0.56 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.45 2xi6 h ASP 11 Cb 0.83 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 2xi6 h ASP 11 CO -0.35 0.66 0.06 0.22 -1.72 0.00 0.00 179.24 178.10 2xi6 h TYR 12 N 0.39 0.39 -0.75 4.55 5.03 -1.49 -1.85 116.97 123.23 2xi6 h TYR 12 Ca 0.06 -0.05 -0.05 0.00 2.58 0.00 0.00 58.73 61.28 2xi6 h TYR 12 Cb 0.60 -0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.74 2xi6 h TYR 12 CO 0.02 0.47 0.27 1.96 -1.32 0.00 0.00 178.16 179.56 2xi6 h GLN 13 N 0.20 1.14 -0.78 1.82 4.20 -0.78 -0.96 115.11 119.95 2xi6 h GLN 13 Ca 0.07 -0.22 0.08 0.00 0.06 0.00 0.00 58.65 58.64 2xi6 h GLN 13 Cb 0.28 -0.18 -0.06 0.00 0.30 0.00 0.00 27.48 27.81 2xi6 h GLN 13 CO 0.00 0.94 0.45 0.87 -0.67 0.00 0.00 178.83 180.41 2xi6 h LYS 14 N 1.10 0.76 -0.54 1.46 1.57 -1.00 -1.94 116.57 117.99 2xi6 h LYS 14 Ca 0.25 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.91 2xi6 h LYS 14 Cb 0.25 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2xi6 h LYS 14 CO -0.02 0.50 0.05 0.00 -0.57 0.00 0.00 179.45 179.42 2xi6 h ALA 15 N 1.41 1.06 -0.28 3.86 0.00 -0.66 -1.64 119.26 123.01 2xi6 h ALA 15 Ca 0.36 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2xi6 h ALA 15 Cb 0.27 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2xi6 h ALA 15 CO -0.21 0.60 0.11 0.28 0.00 0.00 0.00 179.25 180.03 2xi6 h VAL 16 N 0.83 0.95 -0.55 0.00 2.07 -0.75 0.24 116.25 119.05 2xi6 h VAL 16 Ca 0.17 -0.09 -0.11 0.00 0.82 0.00 0.00 66.70 67.49 2xi6 h VAL 16 Cb 0.43 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2xi6 h VAL 16 CO 0.01 0.05 -0.08 -0.33 0.02 0.00 0.00 177.57 177.24 2xi6 h GLU 17 N 0.25 1.01 -0.05 1.57 4.39 -1.09 0.38 114.58 121.04 2xi6 h GLU 17 Ca 0.12 -0.36 -0.19 0.00 0.34 0.00 0.00 59.36 59.28 2xi6 h GLU 17 Cb 0.07 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2xi6 h GLU 17 CO -0.11 1.04 -0.76 -0.22 -1.16 0.00 0.00 179.01 177.80 2xi6 h LYS 18 N 0.90 0.33 -0.46 2.33 1.63 -1.12 -2.74 116.57 117.45 2xi6 h LYS 18 Ca 0.15 -0.29 -0.09 0.00 -0.85 0.00 0.00 60.65 59.57 2xi6 h LYS 18 Cb 0.64 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 2xi6 h LYS 18 CO 0.04 0.95 -0.07 0.00 -3.45 0.00 0.00 179.45 176.92 2xi6 h ALA 19 N 0.96 1.03 -0.52 5.00 0.00 -0.30 -1.62 119.26 123.81 2xi6 h ALA 19 Ca -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2xi6 h ALA 19 Cb 1.34 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2xi6 h ALA 19 CO 0.13 0.59 0.30 -0.22 0.00 0.00 0.00 179.25 180.05 2xi6 h LYS 20 N 0.73 0.71 -0.18 0.00 3.64 -0.76 0.13 116.57 120.84 2xi6 h LYS 20 Ca 0.13 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2xi6 h LYS 20 Cb 0.54 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2xi6 h LYS 20 CO 0.03 0.53 0.01 0.87 -2.27 0.00 0.00 179.45 178.62 2xi6 h LYS 21 N 0.69 0.32 -0.29 1.90 1.57 -1.22 -2.04 116.57 117.50 2xi6 h LYS 21 Ca 0.18 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2xi6 h LYS 21 Cb 0.01 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2xi6 h LYS 21 CO -0.03 0.52 0.08 0.87 -0.57 0.00 0.00 179.45 180.31 2xi6 h LYS 22 N 0.08 0.41 -0.52 3.15 1.57 -1.07 -2.12 116.57 118.06 2xi6 h LYS 22 Ca 0.05 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 2xi6 h LYS 22 Cb 0.37 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2xi6 h LYS 22 CO 0.01 0.38 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.18 2xi6 h LEU 23 N 0.41 0.87 0.14 2.94 3.38 -0.59 -0.77 115.31 121.69 2xi6 h LEU 23 Ca 0.10 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.85 2xi6 h LEU 23 Cb 0.15 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2xi6 h LEU 23 CO -0.01 0.94 -0.22 0.03 0.09 0.00 0.00 178.44 179.27 2xi6 h ARG 24 N 0.82 -0.41 -0.33 1.13 3.08 -0.72 0.49 114.38 118.44 2xi6 h ARG 24 Ca 0.15 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2xi6 h ARG 24 Cb 0.51 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 2xi6 h ARG 24 CO 0.03 -0.28 0.22 0.78 -1.07 0.00 0.00 179.97 179.65 2xi6 h GLY 25 N -0.43 0.47 0.86 0.04 0.00 -1.28 -0.91 103.07 101.82 2xi6 h GLY 25 Ca 0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 2xi6 h GLY 25 CO -0.10 0.17 0.05 -2.75 0.00 0.00 0.00 176.54 173.91 2xi6 h PHE 26 N 0.45 0.34 -0.39 5.60 3.57 -1.03 0.24 116.94 125.71 2xi6 h PHE 26 Ca 0.12 -0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.46 2xi6 h PHE 26 Cb -0.05 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 2xi6 h PHE 26 CO -0.05 0.43 -0.24 0.82 -2.23 0.00 0.00 178.31 177.04 2xi6 h ILE 27 N 0.15 1.28 -0.30 1.41 2.04 -0.80 -0.92 117.51 120.36 2xi6 h ILE 27 Ca 0.06 -1.39 -0.01 0.00 1.00 0.00 0.00 64.86 64.53 2xi6 h ILE 27 Cb 0.26 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2xi6 h ILE 27 CO -0.00 0.47 0.17 0.00 0.00 0.00 0.00 178.15 178.78 2xi6 h ALA 28 N 0.80 0.38 -0.45 1.87 0.00 -1.16 -1.82 119.26 118.88 2xi6 h ALA 28 Ca 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2xi6 h ALA 28 Cb 0.81 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2xi6 h ALA 28 CO 0.07 -0.09 0.24 1.49 0.00 0.00 0.00 179.25 180.96 2xi6 h GLU 29 N 0.37 0.63 -0.00 0.00 4.22 -0.71 -2.89 114.58 116.19 2xi6 h GLU 29 Ca 0.11 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.47 2xi6 h GLU 29 Cb 0.06 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2xi6 h GLU 29 CO -0.02 0.50 -0.00 1.63 -2.18 0.00 0.00 179.01 178.94 2xi6 n LYS 30 N -4.69 0.27 -3.18 1.92 4.76 -0.37 -4.90 118.16 111.96 2xi6 n LYS 30 Ca 0.01 -0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.22 2xi6 n LYS 30 Cb 0.08 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 31.80 2xi6 n LYS 30 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2xi6 n ARG 31 N -1.36 -4.66 -0.50 1.97 1.74 -0.69 -4.88 116.66 108.27 2xi6 n ARG 31 Ca 0.11 0.77 0.08 0.00 -0.77 0.00 0.00 57.85 58.05 2xi6 n ARG 31 Cb 0.28 -5.60 0.27 0.00 -1.02 0.00 0.00 32.46 26.39 2xi6 n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2xi6 h ALA 33 N 1.96 0.51 -0.68 0.00 0.00 -1.90 -1.13 119.26 118.01 2xi6 h ALA 33 Ca 0.01 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2xi6 h ALA 33 Cb 1.51 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.35 2xi6 h ALA 33 CO 0.26 -0.29 0.40 -1.35 0.00 0.00 0.00 179.25 178.27 2xi6 h PRO 34 N 0.25 0.74 -0.69 0.00 0.11 -1.90 -0.24 132.00 130.27 2xi6 h PRO 34 Ca 0.22 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.21 2xi6 h PRO 34 Cb 0.26 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.18 2xi6 h PRO 34 CO -0.27 0.49 0.16 1.25 -0.21 0.00 0.00 178.00 179.42 2xi6 h LEU 35 N 0.76 1.05 -1.15 2.35 5.85 -1.79 -0.49 115.31 121.90 2xi6 h LEU 35 Ca 0.29 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2xi6 h LEU 35 Cb 0.12 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 2xi6 h LEU 35 CO -0.15 1.01 -0.06 0.24 -0.34 0.00 0.00 178.44 179.14 2xi6 h MET 36 N 1.05 0.52 -0.23 1.25 2.86 -0.67 -0.76 114.93 118.96 2xi6 h MET 36 Ca 0.22 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 2xi6 h MET 36 Cb 0.38 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 2xi6 h MET 36 CO 0.00 0.60 0.02 1.25 1.06 0.00 0.00 176.91 179.84 2xi6 h LEU 37 N 0.49 0.38 -1.06 1.22 5.85 -0.50 -1.63 115.31 120.05 2xi6 h LEU 37 Ca 0.10 -0.28 0.08 0.00 0.84 0.00 0.00 57.88 58.62 2xi6 h LEU 37 Cb 0.42 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.28 2xi6 h LEU 37 CO 0.02 0.56 0.62 -0.09 -0.34 0.00 0.00 178.44 179.22 2xi6 h ARG 38 N 0.18 1.03 -0.49 1.25 2.43 -0.91 0.20 114.38 118.07 2xi6 h ARG 38 Ca 0.07 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2xi6 h ARG 38 Cb 0.36 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2xi6 h ARG 38 CO 0.01 0.68 0.11 1.25 -1.51 0.00 0.00 179.97 180.51 2xi6 h LEU 39 N 1.06 0.75 -0.46 3.80 5.85 -0.76 0.22 115.31 125.79 2xi6 h LEU 39 Ca 0.44 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 2xi6 h LEU 39 Cb 0.29 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2xi6 h LEU 39 CO -0.19 0.80 0.19 0.00 -0.34 0.00 0.00 178.44 178.90 2xi6 h ALA 40 N 0.98 0.59 -0.13 1.25 0.00 -0.67 -1.13 119.26 120.15 2xi6 h ALA 40 Ca 0.15 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2xi6 h ALA 40 Cb 0.35 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2xi6 h ALA 40 CO 0.00 0.18 -0.15 2.35 0.00 0.00 0.00 179.25 181.64 2xi6 h TRP 41 N 0.59 0.39 0.00 0.00 -0.00 -0.77 -1.70 115.95 114.46 2xi6 h TRP 41 Ca 0.15 -0.12 -0.02 0.00 -0.00 0.00 0.00 58.89 58.90 2xi6 h TRP 41 Cb 0.17 -0.08 -0.00 0.00 -0.00 0.00 0.00 29.16 29.25 2xi6 h TRP 41 CO -0.00 0.75 -0.10 0.45 -0.00 0.00 0.00 178.44 179.54 2xi6 h HIS 42 N -0.07 0.00 -0.26 2.65 3.86 -0.55 0.95 115.15 121.73 2xi6 h HIS 42 Ca 0.02 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.17 2xi6 h HIS 42 Cb 0.69 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.15 2xi6 h HIS 42 CO 0.09 0.10 -0.06 0.77 0.86 0.00 0.00 177.93 179.69 2xi6 h SER 43 N 0.00 0.51 0.79 2.45 0.02 -0.86 -3.35 113.55 113.11 2xi6 h SER 43 Ca -0.00 -0.36 -0.25 0.00 -0.84 0.00 0.00 61.79 60.34 2xi6 h SER 43 Cb 0.32 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 2xi6 h SER 43 CO 0.01 0.75 -1.27 0.00 -1.14 0.00 0.00 176.83 175.19 2xi6 h ALA 44 N 0.77 0.46 0.00 3.77 0.00 -0.63 -3.22 119.26 120.40 2xi6 h ALA 44 Ca 0.07 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.88 2xi6 h ALA 44 Cb 0.53 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2xi6 h ALA 44 CO 0.03 1.33 0.00 0.41 0.00 0.00 0.00 179.25 181.01 2xi6 n GLY 45 N 1.45 -0.60 0.62 0.00 0.00 0.26 -2.41 105.19 104.51 2xi6 n GLY 45 Ca -0.07 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 45.98 2xi6 n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2xi6 n THR 46 N -1.10 0.12 -2.31 2.61 -2.24 -1.26 -4.64 114.28 105.46 2xi6 n THR 46 Ca 0.10 -0.36 -0.41 0.00 -2.27 0.00 0.00 64.05 61.12 2xi6 n THR 46 Cb 0.08 0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 68.89 2xi6 n THR 46 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2xi6 s PHE 47 N -1.88 3.35 -0.24 4.78 5.36 -1.01 -3.97 117.98 124.37 2xi6 s PHE 47 Ca 0.35 1.36 0.02 0.00 -0.96 0.00 0.00 56.93 57.70 2xi6 s PHE 47 Cb 0.20 -3.50 0.05 0.00 -0.34 0.00 0.00 43.02 39.42 2xi6 s PHE 47 CO 0.30 -1.45 -0.12 0.34 -1.46 0.00 0.00 175.22 172.83 2xi6 s ASP 48 N 0.13 4.10 0.37 6.13 2.15 0.07 -3.14 116.67 126.48 2xi6 s ASP 48 Ca 0.54 -1.14 0.07 0.00 0.43 0.00 0.00 52.55 52.45 2xi6 s ASP 48 Cb -0.34 -1.55 0.73 0.00 -0.30 0.00 0.00 42.92 41.46 2xi6 s ASP 48 CO 0.38 -0.14 1.92 0.07 -0.17 0.00 0.00 175.17 177.24 2xi6 h LYS 49 N 7.85 0.39 -0.49 4.34 2.10 -0.62 0.19 116.57 130.33 2xi6 h LYS 49 Ca -0.28 -0.08 -0.10 0.00 -2.00 0.00 0.00 60.65 58.20 2xi6 h LYS 49 Cb 1.07 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 32.33 2xi6 h LYS 49 CO 0.52 0.44 -0.10 0.78 -2.00 0.00 0.00 179.45 179.09 2xi6 h GLY 50 N 0.73 0.96 0.00 0.07 0.00 -1.84 -3.13 103.07 99.86 2xi6 h GLY 50 Ca 0.08 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.67 2xi6 h GLY 50 CO 0.01 0.68 -0.98 -1.30 0.00 0.00 0.00 176.54 174.95 2xi6 n THR 51 N -4.16 0.00 -2.92 4.70 -2.24 -1.07 -4.98 114.28 103.60 2xi6 n THR 51 Ca 0.02 -0.05 -0.22 0.00 -2.27 0.00 0.00 64.05 61.52 2xi6 n THR 51 Cb 0.38 0.96 0.02 0.00 -2.10 0.00 0.00 70.33 69.59 2xi6 n THR 51 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2xi6 n LYS 52 N -1.50 -4.17 -4.02 -0.78 5.02 0.63 -5.01 118.16 108.33 2xi6 n LYS 52 Ca 0.03 0.89 -0.22 0.00 -2.02 0.00 0.00 58.31 56.99 2xi6 n LYS 52 Cb 0.32 -5.70 -0.05 0.00 -0.02 0.00 0.00 35.03 29.57 2xi6 n LYS 52 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2xi6 s THR 53 N -3.12 3.25 0.00 -0.18 -4.23 -1.16 -4.92 115.64 105.28 2xi6 s THR 53 Ca 0.25 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 2xi6 s THR 53 Cb -0.11 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.68 2xi6 s THR 53 CO 0.31 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 2xi6 n GLY 54 N -1.21 -0.21 0.00 3.99 0.00 -1.26 -0.75 105.19 105.74 2xi6 n GLY 54 Ca -0.03 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2xi6 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xi6 n GLY 55 N 0.00 0.45 2.76 -0.02 0.00 -1.25 -4.60 105.19 102.52 2xi6 n GLY 55 Ca 0.00 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 2xi6 n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2xi6 n PRO 56 N 0.17 2.86 -0.93 1.61 -0.04 -1.22 -4.57 135.00 132.88 2xi6 n PRO 56 Ca 0.00 -2.62 0.05 0.00 -0.04 0.00 0.00 63.50 60.89 2xi6 n PRO 56 Cb 0.00 -3.30 0.12 0.00 -0.04 0.00 0.00 33.50 30.28 2xi6 n PRO 56 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2xi6 n PHE 57 N 6.17 0.00 -0.99 0.54 3.72 -1.26 -4.75 117.46 120.88 2xi6 n PHE 57 Ca 0.52 -0.98 0.00 0.00 -0.05 0.00 0.00 57.45 56.94 2xi6 n PHE 57 Cb 0.39 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 2xi6 n PHE 57 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2xi6 n GLY 58 N -0.42 0.79 0.14 1.37 0.00 -1.26 -1.08 105.19 104.73 2xi6 n GLY 58 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 2xi6 n GLY 58 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2xi6 h THR 59 N 0.00 0.00 0.00 2.61 1.35 -1.86 -3.21 112.91 111.80 2xi6 h THR 59 Ca 0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2xi6 h THR 59 Cb 0.00 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 2xi6 h THR 59 CO 0.00 0.00 0.00 -0.29 -0.25 0.00 0.00 175.52 174.98 2xi6 h ILE 60 N 0.00 0.00 0.00 6.82 2.10 -1.93 0.44 117.51 124.94 2xi6 h ILE 60 Ca 0.00 -0.26 0.00 0.00 1.08 0.00 0.00 64.86 65.68 2xi6 h ILE 60 Cb 0.63 1.21 0.00 0.00 -1.09 0.00 0.00 36.82 37.58 2xi6 h ILE 60 CO 0.00 0.00 0.00 2.29 -1.08 0.00 0.00 178.15 179.36 2xi6 n LYS 61 N -2.98 0.16 -1.89 2.19 2.85 -1.21 -3.96 118.16 113.31 2xi6 n LYS 61 Ca -0.01 0.18 -0.42 0.00 -1.05 0.00 0.00 58.31 57.01 2xi6 n LYS 61 Cb 0.19 -1.70 -0.03 0.00 -0.65 0.00 0.00 35.03 32.84 2xi6 n LYS 61 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 2xi6 s HIS 62 N -3.09 3.02 0.40 5.58 3.76 0.14 -4.88 115.29 120.22 2xi6 s HIS 62 Ca 0.11 0.61 0.12 0.00 -0.15 0.00 0.00 55.06 55.74 2xi6 s HIS 62 Cb 0.14 -3.97 0.92 0.00 1.11 0.00 0.00 32.58 30.79 2xi6 s HIS 62 CO 0.53 -3.54 1.92 -1.35 -0.85 0.00 0.00 174.74 171.45 2xi6 h PRO 63 N 6.59 0.54 -0.47 8.40 0.11 -1.87 -0.32 132.00 144.97 2xi6 h PRO 63 Ca -0.43 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2xi6 h PRO 63 Cb 1.21 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2xi6 h PRO 63 CO 0.91 0.36 0.26 0.00 -0.21 0.00 0.00 178.00 179.31 2xi6 h ALA 64 N 1.63 1.57 0.18 -0.75 0.00 -1.93 -1.81 119.26 118.17 2xi6 h ALA 64 Ca 0.36 -0.08 -0.30 0.00 0.00 0.00 0.00 54.91 54.89 2xi6 h ALA 64 Cb 0.64 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.26 2xi6 h ALA 64 CO -0.13 0.36 -1.35 1.49 0.00 0.00 0.00 179.25 179.62 2xi6 h GLU 65 N 0.65 0.39 0.00 0.00 4.81 -1.38 -3.26 114.58 115.79 2xi6 h GLU 65 Ca 0.17 -0.67 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 2xi6 h GLU 65 Cb 0.02 0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 2xi6 h GLU 65 CO -0.03 1.32 -0.04 -0.07 -0.73 0.00 0.00 179.01 179.46 2xi6 h LEU 66 N 0.11 0.00 -0.40 1.64 3.38 -0.80 -2.03 115.31 117.21 2xi6 h LEU 66 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2xi6 h LEU 66 Cb 2.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.81 2xi6 h LEU 66 CO 0.24 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.81 2xi6 h ALA 67 N 1.96 1.00 -2.23 1.53 0.00 -1.38 -3.41 119.26 116.73 2xi6 h ALA 67 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 2xi6 h ALA 67 Cb 0.09 0.00 0.10 0.00 0.00 0.00 0.00 17.79 17.98 2xi6 h ALA 67 CO 0.01 0.00 0.39 0.72 0.00 0.00 0.00 179.25 180.36 2xi6 n HIS 68 N -2.51 1.84 0.22 0.00 8.25 -0.77 -4.85 115.22 117.40 2xi6 n HIS 68 Ca 0.04 0.59 0.07 0.00 -0.26 0.00 0.00 57.72 58.15 2xi6 n HIS 68 Cb 0.37 -2.36 0.49 0.00 1.12 0.00 0.00 29.99 29.61 2xi6 n HIS 68 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2xi6 h SER 69 N 2.82 0.00 0.15 0.41 4.64 -1.90 -0.35 113.55 119.32 2xi6 h SER 69 Ca -0.43 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.88 2xi6 h SER 69 Cb 1.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2xi6 h SER 69 CO 0.66 0.26 -0.05 0.00 -0.87 0.00 0.00 176.83 176.83 2xi6 h ALA 70 N 1.74 1.39 -0.59 5.18 0.00 -1.93 -1.81 119.26 123.23 2xi6 h ALA 70 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2xi6 h ALA 70 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2xi6 h ALA 70 CO 0.03 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.43 2xi6 n ASN 71 N -3.71 4.82 -4.65 0.00 3.02 -0.14 -4.99 115.26 109.60 2xi6 n ASN 71 Ca -0.02 -2.56 -0.47 0.00 -0.03 0.00 0.00 54.58 51.50 2xi6 n ASN 71 Cb 0.14 -0.60 -0.04 0.00 -0.61 0.00 0.00 39.78 38.67 2xi6 n ASN 71 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2xi6 n ASN 72 N 0.92 2.60 0.00 6.41 3.02 -0.68 -1.08 115.26 126.45 2xi6 n ASN 72 Ca 0.25 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.91 2xi6 n ASN 72 Cb 0.94 -1.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 2xi6 n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2xi6 n GLY 73 N 2.72 3.13 0.04 7.41 0.00 -1.26 -4.82 105.19 112.41 2xi6 n GLY 73 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 2xi6 n GLY 73 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2xi6 n LEU 74 N 0.00 0.26 0.13 0.99 4.77 -0.24 -2.57 117.00 120.34 2xi6 n LEU 74 Ca 0.00 0.53 0.04 0.00 -0.03 0.00 0.00 56.01 56.55 2xi6 n LEU 74 Cb 0.00 -0.46 0.45 0.00 -2.33 0.00 0.00 43.42 41.09 2xi6 n LEU 74 CO 0.00 -0.13 0.98 -2.24 -1.33 0.00 0.00 177.39 174.68 2xi6 h ASP 75 N 0.00 0.22 -0.50 -1.43 2.03 -1.89 -1.86 116.42 112.98 2xi6 h ASP 75 Ca 0.00 -0.03 0.08 0.00 -0.73 0.00 0.00 57.03 56.35 2xi6 h ASP 75 Cb 0.52 -0.06 -0.06 0.00 -0.83 0.00 0.00 39.33 38.90 2xi6 h ASP 75 CO 0.00 0.28 0.14 0.40 -1.03 0.00 0.00 179.24 179.04 2xi6 h ILE 76 N 0.23 0.77 0.14 4.15 2.04 -1.90 -0.90 117.51 122.05 2xi6 h ILE 76 Ca 0.06 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 2xi6 h ILE 76 Cb 0.20 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2xi6 h ILE 76 CO 0.01 0.05 -0.07 0.00 0.00 0.00 0.00 178.15 178.14 2xi6 h ALA 77 N 1.36 -0.19 -0.28 1.87 0.00 -1.51 -0.46 119.26 120.06 2xi6 h ALA 77 Ca 0.25 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.15 2xi6 h ALA 77 Cb 0.30 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2xi6 h ALA 77 CO -0.29 -0.58 -0.00 0.28 0.00 0.00 0.00 179.25 178.66 2xi6 h VAL 78 N -0.23 0.80 -0.50 0.00 2.07 -1.25 -1.98 116.25 115.16 2xi6 h VAL 78 Ca -0.02 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.49 2xi6 h VAL 78 Cb 0.18 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2xi6 h VAL 78 CO 0.03 0.01 0.31 -0.09 0.02 0.00 0.00 177.57 177.86 2xi6 h ARG 79 N 0.08 0.61 -0.91 1.57 2.43 -1.02 -2.37 114.38 114.76 2xi6 h ARG 79 Ca 0.13 -0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.39 2xi6 h ARG 79 Cb 0.17 -0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 29.52 2xi6 h ARG 79 CO -0.23 0.40 0.59 -0.07 -1.51 0.00 0.00 179.97 179.15 2xi6 h LEU 80 N 0.63 0.76 0.00 3.80 3.38 -0.73 -2.67 115.31 120.48 2xi6 h LEU 80 Ca 0.19 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2xi6 h LEU 80 Cb -0.02 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2xi6 h LEU 80 CO -0.07 0.41 -0.46 0.18 0.09 0.00 0.00 178.44 178.59 2xi6 n LEU 81 N -4.57 0.74 -0.27 1.67 4.77 -0.78 -4.35 117.00 114.21 2xi6 n LEU 81 Ca 0.17 0.32 -0.06 0.00 -0.03 0.00 0.00 56.01 56.41 2xi6 n LEU 81 Cb 0.39 -0.22 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 2xi6 n LEU 81 CO 0.29 -0.09 1.06 -0.08 -1.33 0.00 0.00 177.39 177.24 2xi6 h GLU 82 N 0.00 1.09 -0.54 3.23 4.57 -1.07 -0.08 114.58 121.78 2xi6 h GLU 82 Ca 0.00 -0.18 0.04 0.00 -1.18 0.00 0.00 59.36 58.05 2xi6 h GLU 82 Cb 0.75 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 29.11 2xi6 h GLU 82 CO 0.00 0.87 0.29 -1.35 -1.18 0.00 0.00 179.01 177.63 2xi6 h PRO 83 N 1.05 0.54 -0.54 0.92 0.11 -1.76 -1.91 132.00 130.41 2xi6 h PRO 83 Ca 0.25 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.24 2xi6 h PRO 83 Cb 0.16 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 2xi6 h PRO 83 CO -0.03 0.36 -0.01 1.25 -0.21 0.00 0.00 178.00 179.36 2xi6 h LEU 84 N 0.56 0.90 -1.22 2.35 6.46 -1.72 -2.95 115.31 119.69 2xi6 h LEU 84 Ca 0.24 -0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2xi6 h LEU 84 Cb 0.12 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.78 2xi6 h LEU 84 CO -0.15 0.96 0.38 0.50 -0.62 0.00 0.00 178.44 179.51 2xi6 h LYS 85 N 0.85 0.92 0.00 1.25 1.63 -0.66 -0.80 116.57 119.76 2xi6 h LYS 85 Ca 0.16 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 2xi6 h LYS 85 Cb 0.51 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 2xi6 h LYS 85 CO 0.03 0.66 0.00 0.00 -3.45 0.00 0.00 179.45 176.69 2xi6 h ALA 86 N 1.49 1.00 0.00 5.00 0.00 -1.18 0.95 119.26 126.52 2xi6 h ALA 86 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2xi6 h ALA 86 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2xi6 h ALA 86 CO -0.04 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.60 2xi6 n GLU 87 N -2.89 0.16 -3.15 0.00 1.02 -0.31 -4.15 120.64 111.33 2xi6 n GLU 87 Ca -0.01 0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 56.92 2xi6 n GLU 87 Cb 0.19 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.06 2xi6 n GLU 87 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2xi6 n PHE 88 N -1.42 1.62 0.28 -0.32 3.72 0.33 -4.93 117.46 116.73 2xi6 n PHE 88 Ca 0.10 -3.87 0.14 0.00 -0.05 0.00 0.00 57.45 53.77 2xi6 n PHE 88 Cb 0.29 -0.44 0.80 0.00 -0.94 0.00 0.00 39.48 39.19 2xi6 n PHE 88 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2xi6 h PRO 89 N 3.33 0.00 0.00 -1.08 0.13 -1.72 -1.67 132.00 130.99 2xi6 h PRO 89 Ca 0.12 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.20 2xi6 h PRO 89 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 2xi6 h PRO 89 CO 0.63 0.08 -0.21 0.97 -0.23 0.00 0.00 178.00 179.23 2xi6 h ILE 90 N 0.00 0.61 -3.85 -3.56 2.10 -1.91 -3.44 117.51 107.45 2xi6 h ILE 90 Ca -0.00 -0.97 -0.49 0.00 1.08 0.00 0.00 64.86 64.49 2xi6 h ILE 90 Cb 0.22 1.64 0.00 0.00 -1.09 0.00 0.00 36.82 37.59 2xi6 h ILE 90 CO 0.01 0.21 0.40 -0.76 -1.08 0.00 0.00 178.15 176.93 2xi6 s LEU 91 N -7.01 4.42 0.61 2.19 1.43 -0.63 -5.03 118.68 114.66 2xi6 s LEU 91 Ca -0.01 2.05 -0.18 0.00 -1.03 0.00 0.00 54.13 54.96 2xi6 s LEU 91 Cb 0.11 -3.85 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 2xi6 s LEU 91 CO 0.62 -0.15 1.20 -0.94 0.23 0.00 0.00 176.35 177.32 2xi6 s SER 92 N -1.28 5.09 0.33 2.29 1.04 -1.26 -4.92 113.70 114.99 2xi6 s SER 92 Ca 0.48 2.37 0.02 0.00 0.48 0.00 0.00 55.95 59.30 2xi6 s SER 92 Cb -0.25 -2.60 0.58 0.00 0.10 0.00 0.00 66.02 63.85 2xi6 s SER 92 CO 0.32 -1.66 1.94 1.88 0.98 0.00 0.00 173.24 176.70 2xi6 h TYR 93 N 0.73 0.76 -0.11 5.02 -1.99 -1.94 -1.30 116.97 118.14 2xi6 h TYR 93 Ca -0.50 -0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.25 2xi6 h TYR 93 Cb 1.30 -0.24 -0.05 0.00 2.00 0.00 0.00 36.73 39.73 2xi6 h TYR 93 CO 0.47 0.56 -0.24 0.00 -0.00 0.00 0.00 178.16 178.95 2xi6 h ALA 94 N 1.52 -0.23 -0.64 3.88 0.00 -1.85 0.14 119.26 122.10 2xi6 h ALA 94 Ca 0.19 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 2xi6 h ALA 94 Cb 0.08 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2xi6 h ALA 94 CO -0.03 -0.70 0.06 -0.44 0.00 0.00 0.00 179.25 178.14 2xi6 h ASP 95 N -0.31 1.05 -0.45 0.00 3.32 -1.71 -2.88 116.42 115.44 2xi6 h ASP 95 Ca 0.09 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.88 2xi6 h ASP 95 Cb 0.45 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2xi6 h ASP 95 CO -0.29 1.06 0.29 0.15 -1.72 0.00 0.00 179.24 178.73 2xi6 h PHE 96 N 1.00 0.58 -0.36 4.55 3.57 -0.64 0.22 116.94 125.87 2xi6 h PHE 96 Ca 0.19 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.53 2xi6 h PHE 96 Cb 0.49 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 2xi6 h PHE 96 CO 0.04 0.39 -0.43 1.88 -2.23 0.00 0.00 178.31 177.96 2xi6 h TYR 97 N 0.61 1.11 -0.42 0.41 0.05 -1.00 -0.91 116.97 116.82 2xi6 h TYR 97 Ca 0.16 -0.35 -0.09 0.00 0.05 0.00 0.00 58.73 58.50 2xi6 h TYR 97 Cb -0.04 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.46 2xi6 h TYR 97 CO -0.04 1.17 -0.12 1.96 -1.05 0.00 0.00 178.16 180.09 2xi6 h GLN 98 N 0.74 0.76 -0.74 4.88 1.08 -1.26 -1.89 115.11 118.67 2xi6 h GLN 98 Ca 0.05 -0.25 -0.05 0.00 -1.45 0.00 0.00 58.65 56.94 2xi6 h GLN 98 Cb 1.02 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 28.36 2xi6 h GLN 98 CO 0.10 0.85 0.26 1.25 -0.95 0.00 0.00 178.83 180.34 2xi6 h LEU 99 N 0.69 1.04 -1.11 1.46 5.85 -0.35 -1.51 115.31 121.37 2xi6 h LEU 99 Ca 0.12 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2xi6 h LEU 99 Cb 0.59 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 2xi6 h LEU 99 CO 0.04 0.95 0.54 0.00 -0.34 0.00 0.00 178.44 179.62 2xi6 h ALA 100 N 1.19 1.35 -0.42 1.25 0.00 -0.79 0.21 119.26 122.05 2xi6 h ALA 100 Ca 0.24 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2xi6 h ALA 100 Cb 0.26 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2xi6 h ALA 100 CO -0.01 0.58 0.12 0.78 0.00 0.00 0.00 179.25 180.72 2xi6 h GLY 101 N 1.17 0.70 0.99 0.00 0.00 -0.80 0.21 103.07 105.35 2xi6 h GLY 101 Ca 0.31 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 2xi6 h GLY 101 CO -0.06 0.39 0.33 -2.08 0.00 0.00 0.00 176.54 175.12 2xi6 h VAL 102 N 0.53 1.20 -0.52 4.60 2.07 -0.73 -2.73 116.25 120.67 2xi6 h VAL 102 Ca 0.13 -0.51 -0.11 0.00 0.82 0.00 0.00 66.70 67.04 2xi6 h VAL 102 Cb 0.28 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2xi6 h VAL 102 CO -0.00 0.22 -0.11 0.58 0.02 0.00 0.00 177.57 178.28 2xi6 h VAL 103 N 0.82 1.27 -0.85 2.57 2.07 -0.70 -1.91 116.25 119.52 2xi6 h VAL 103 Ca 0.21 -1.25 0.09 0.00 0.82 0.00 0.00 66.70 66.57 2xi6 h VAL 103 Cb 0.05 0.97 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 2xi6 h VAL 103 CO -0.03 0.44 0.50 0.00 0.02 0.00 0.00 177.57 178.49 2xi6 h ALA 104 N 1.00 1.20 -0.22 1.67 0.00 -0.32 0.90 119.26 123.49 2xi6 h ALA 104 Ca 0.14 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2xi6 h ALA 104 Cb 0.66 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2xi6 h ALA 104 CO 0.05 0.15 -0.02 0.28 0.00 0.00 0.00 179.25 179.71 2xi6 h VAL 105 N 0.85 1.27 -0.10 0.00 2.07 -1.23 -3.08 116.25 116.02 2xi6 h VAL 105 Ca 0.40 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2xi6 h VAL 105 Cb 0.33 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2xi6 h VAL 105 CO -0.23 0.29 0.06 -0.08 0.02 0.00 0.00 177.57 177.63 2xi6 h GLU 106 N 0.15 0.13 0.00 1.57 4.81 -0.70 0.15 114.58 120.69 2xi6 h GLU 106 Ca 0.06 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2xi6 h GLU 106 Cb 0.44 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2xi6 h GLU 106 CO 0.01 0.11 0.00 1.33 -0.73 0.00 0.00 179.01 179.73 2xi6 n VAL 107 N -5.01 0.63 0.80 0.32 0.24 0.25 -1.30 118.33 114.27 2xi6 n VAL 107 Ca -0.05 0.07 0.10 0.00 -2.04 0.00 0.00 64.34 62.42 2xi6 n VAL 107 Cb 0.04 -0.84 0.29 0.00 -1.47 0.00 0.00 33.84 31.86 2xi6 n VAL 107 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2xi6 n THR 108 N -1.88 0.39 -0.06 3.34 -2.24 -1.13 -4.92 114.28 107.78 2xi6 n THR 108 Ca 0.04 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 2xi6 n THR 108 Cb 0.28 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 2xi6 n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2xi6 n GLY 109 N 1.27 0.97 0.84 3.38 0.00 -0.42 -1.00 105.19 110.23 2xi6 n GLY 109 Ca 0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 2xi6 n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xi6 n GLY 110 N -2.06 -0.15 3.76 -0.02 0.00 0.51 -4.81 105.19 102.42 2xi6 n GLY 110 Ca 0.00 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 43.87 2xi6 n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2xi6 s PRO 111 N -3.27 2.09 -0.64 1.61 0.04 -1.26 -4.53 135.00 129.03 2xi6 s PRO 111 Ca 0.15 1.06 -0.24 0.00 0.04 0.00 0.00 61.00 62.01 2xi6 s PRO 111 Cb -0.01 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.70 2xi6 s PRO 111 CO 0.10 -1.73 1.01 -1.21 0.04 0.00 0.00 177.00 175.22 2xi6 s GLU 112 N -4.93 3.19 -0.06 4.56 2.02 -1.26 -4.24 118.70 117.98 2xi6 s GLU 112 Ca 0.61 -0.56 -0.30 0.00 0.02 0.00 0.00 54.97 54.74 2xi6 s GLU 112 Cb -0.17 -4.17 -0.03 0.00 0.10 0.00 0.00 34.13 29.86 2xi6 s GLU 112 CO 0.56 -1.78 1.19 0.08 0.02 0.00 0.00 175.26 175.33 2xi6 s VAL 113 N 4.33 4.27 0.40 2.63 1.01 -1.26 -5.00 120.40 126.78 2xi6 s VAL 113 Ca 0.27 1.59 -0.27 0.00 0.00 0.00 0.00 61.98 63.57 2xi6 s VAL 113 Cb -0.14 -4.02 -0.10 0.00 0.00 0.00 0.00 36.38 32.11 2xi6 s VAL 113 CO 0.14 -0.00 1.46 -2.65 0.00 0.00 0.00 175.10 174.05 2xi6 n PRO 114 N 5.21 2.51 -4.51 2.72 -0.02 -1.26 -5.00 135.00 134.64 2xi6 n PRO 114 Ca 0.11 0.88 -0.27 0.00 -2.02 0.00 0.00 63.50 62.21 2xi6 n PRO 114 Cb 0.46 -2.65 -0.17 0.00 -0.02 0.00 0.00 33.50 31.13 2xi6 n PRO 114 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2xi6 s PHE 115 N -1.15 1.72 -0.11 6.00 5.36 -1.26 -4.79 117.98 123.75 2xi6 s PHE 115 Ca 0.56 -0.74 0.03 0.00 -0.96 0.00 0.00 56.93 55.83 2xi6 s PHE 115 Cb -0.47 -1.26 0.00 0.00 -0.34 0.00 0.00 43.02 40.96 2xi6 s PHE 115 CO 0.61 -0.39 -0.23 -1.01 -1.46 0.00 0.00 175.22 172.75 2xi6 s HIS 116 N 0.87 2.60 0.85 10.12 3.76 -1.26 -5.14 115.29 127.09 2xi6 s HIS 116 Ca -0.10 -1.14 -0.13 0.00 -0.15 0.00 0.00 55.06 53.55 2xi6 s HIS 116 Cb -0.15 -1.75 0.11 0.00 1.11 0.00 0.00 32.58 31.90 2xi6 s HIS 116 CO 0.01 -0.48 1.19 -1.25 -0.85 0.00 0.00 174.74 173.36 2xi6 s PRO 117 N 0.50 1.63 0.00 8.40 0.04 -1.26 -4.77 135.00 139.54 2xi6 s PRO 117 Ca -0.15 0.06 0.00 0.00 0.04 0.00 0.00 61.00 60.95 2xi6 s PRO 117 Cb -0.17 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2xi6 s PRO 117 CO 0.05 -1.82 0.00 0.41 0.04 0.00 0.00 177.00 175.69 2xi6 n GLY 118 N -3.22 0.76 3.74 0.56 0.00 -1.26 -4.56 105.19 101.21 2xi6 n GLY 118 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2xi6 n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2xi6 s ARG 119 N 0.00 4.20 0.08 1.61 0.52 -1.26 -4.93 118.95 119.17 2xi6 s ARG 119 Ca 0.00 2.42 -0.06 0.00 -0.52 0.00 0.00 55.73 57.57 2xi6 s ARG 119 Cb 0.00 -3.08 -0.05 0.00 0.52 0.00 0.00 34.95 32.34 2xi6 s ARG 119 CO 0.00 -0.53 0.34 -1.21 0.02 0.00 0.00 175.30 173.92 2xi6 s GLU 120 N -0.26 3.63 -0.05 3.54 2.02 -1.26 -4.41 118.70 121.91 2xi6 s GLU 120 Ca 0.62 -0.03 -0.30 0.00 0.02 0.00 0.00 54.97 55.28 2xi6 s GLU 120 Cb -0.45 -2.97 -0.04 0.00 0.10 0.00 0.00 34.13 30.78 2xi6 s GLU 120 CO 0.44 0.56 1.24 -0.51 0.02 0.00 0.00 175.26 177.01 2xi6 s ASP 121 N -2.03 7.00 0.11 -0.19 1.01 -1.26 -4.65 116.67 116.67 2xi6 s ASP 121 Ca 0.34 1.87 0.03 0.00 0.71 0.00 0.00 52.55 55.51 2xi6 s ASP 121 Cb -0.13 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 2xi6 s ASP 121 CO 0.20 -0.62 0.13 -0.54 0.21 0.00 0.00 175.17 174.55 2xi6 s LYS 122 N 2.31 2.99 0.17 8.23 1.02 -0.24 -5.02 119.74 129.19 2xi6 s LYS 122 Ca 0.57 -0.72 -0.10 0.00 0.02 0.00 0.00 55.97 55.75 2xi6 s LYS 122 Cb -0.26 -2.75 0.04 0.00 -0.52 0.00 0.00 37.83 34.34 2xi6 s LYS 122 CO 0.23 0.54 1.60 -1.00 -0.92 0.00 0.00 175.35 175.79 2xi6 h PRO 123 N 2.88 1.03 -5.22 -1.68 0.13 -1.95 -3.43 132.00 123.75 2xi6 h PRO 123 Ca -0.47 -0.38 -0.66 0.00 -0.87 0.00 0.00 66.00 63.63 2xi6 h PRO 123 Cb 1.18 -0.07 -0.27 0.00 0.13 0.00 0.00 31.00 31.97 2xi6 h PRO 123 CO 0.66 1.07 -0.75 -1.21 -0.23 0.00 0.00 178.00 177.53 2xi6 s GLU 124 N -4.87 3.39 0.67 0.86 0.41 -1.26 -5.05 118.70 112.84 2xi6 s GLU 124 Ca -0.12 -0.66 -0.14 0.00 -0.41 0.00 0.00 54.97 53.64 2xi6 s GLU 124 Cb 0.13 -2.74 0.00 0.00 -1.78 0.00 0.00 34.13 29.74 2xi6 s GLU 124 CO 0.86 0.09 1.10 -2.14 -0.49 0.00 0.00 175.26 174.68 2xi6 s PRO 125 N 0.67 2.81 0.80 0.39 0.02 -1.26 -4.84 135.00 133.58 2xi6 s PRO 125 Ca -0.05 1.31 -0.11 0.00 0.02 0.00 0.00 61.00 62.16 2xi6 s PRO 125 Cb -0.15 -1.96 0.07 0.00 0.02 0.00 0.00 34.50 32.48 2xi6 s PRO 125 CO 0.02 -1.23 1.10 -1.25 -0.33 0.00 0.00 177.00 175.30 2xi6 s PRO 126 N -4.25 2.09 0.74 5.54 0.04 -1.26 -4.98 135.00 132.92 2xi6 s PRO 126 Ca 0.65 0.66 -0.14 0.00 0.04 0.00 0.00 61.00 62.21 2xi6 s PRO 126 Cb -0.19 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.48 2xi6 s PRO 126 CO 0.43 -1.62 1.16 -1.25 0.04 0.00 0.00 177.00 175.77 2xi6 s PRO 127 N -5.14 2.14 0.70 0.56 0.04 -1.26 -4.99 135.00 127.05 2xi6 s PRO 127 Ca 0.61 1.58 -0.13 0.00 0.04 0.00 0.00 61.00 63.10 2xi6 s PRO 127 Cb -0.14 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.56 2xi6 s PRO 127 CO 0.54 -1.79 1.10 -2.00 0.04 0.00 0.00 177.00 174.89 2xi6 s GLU 128 N -4.16 2.66 0.00 4.56 2.12 -1.26 -4.43 118.70 118.19 2xi6 s GLU 128 Ca 0.70 1.28 0.00 0.00 0.36 0.00 0.00 54.97 57.31 2xi6 s GLU 128 Cb -0.25 -1.94 0.00 0.00 0.26 0.00 0.00 34.13 32.20 2xi6 s GLU 128 CO 0.47 -1.35 0.00 0.41 -0.54 0.00 0.00 175.26 174.25 2xi6 n GLY 129 N -0.88 1.05 0.06 -1.50 0.00 -1.26 -4.99 105.19 97.67 2xi6 n GLY 129 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.20 2xi6 n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xi6 n ARG 130 N -1.84 0.64 -2.25 1.61 1.74 -1.26 -4.93 116.66 110.38 2xi6 n ARG 130 Ca 0.00 -0.03 -0.33 0.00 -0.77 0.00 0.00 57.85 56.72 2xi6 n ARG 130 Cb 0.00 -1.66 -0.01 0.00 -1.02 0.00 0.00 32.46 29.77 2xi6 n ARG 130 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2xi6 s LEU 131 N -5.00 3.60 0.44 0.55 1.43 -1.26 -4.91 118.68 113.52 2xi6 s LEU 131 Ca -0.05 1.75 -0.24 0.00 -1.03 0.00 0.00 54.13 54.55 2xi6 s LEU 131 Cb 0.11 -4.53 -0.08 0.00 0.03 0.00 0.00 46.19 41.73 2xi6 s LEU 131 CO 0.85 -0.90 1.22 -2.16 0.23 0.00 0.00 176.35 175.59 2xi6 s PRO 132 N -3.94 3.82 -0.34 1.29 0.04 -1.26 -4.99 135.00 129.61 2xi6 s PRO 132 Ca 0.62 1.93 -0.24 0.00 0.04 0.00 0.00 61.00 63.35 2xi6 s PRO 132 Cb -0.14 -2.54 0.01 0.00 0.04 0.00 0.00 34.50 31.87 2xi6 s PRO 132 CO 0.32 -0.55 0.84 0.34 0.04 0.00 0.00 177.00 177.99 2xi6 s ASP 133 N -1.12 6.65 0.66 6.66 -1.08 -1.26 -4.97 116.67 122.21 2xi6 s ASP 133 Ca 0.61 0.57 0.38 0.00 -0.52 0.00 0.00 52.55 53.59 2xi6 s ASP 133 Cb -0.33 -2.43 2.06 0.00 -1.46 0.00 0.00 42.92 40.77 2xi6 s ASP 133 CO 0.40 -0.72 2.18 0.00 0.52 0.00 0.00 175.17 177.55 2xi6 h ALA 134 N 8.31 1.20 -0.01 3.66 0.00 -2.00 -1.95 119.26 128.47 2xi6 h ALA 134 Ca -0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2xi6 h ALA 134 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2xi6 h ALA 134 CO 0.92 -0.15 -0.20 0.25 0.00 0.00 0.00 179.25 180.07 2xi6 n THR 135 N -3.07 0.00 -2.82 0.00 -2.24 -1.26 -1.41 114.28 103.48 2xi6 n THR 135 Ca -0.02 -0.24 -0.09 0.00 -2.27 0.00 0.00 64.05 61.43 2xi6 n THR 135 Cb 0.21 0.78 0.04 0.00 -2.10 0.00 0.00 70.33 69.26 2xi6 n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2xi6 n LYS 136 N -0.00 0.67 0.00 -0.78 5.02 -0.73 -4.80 118.16 117.54 2xi6 n LYS 136 Ca 0.13 -1.26 0.00 0.00 -2.02 0.00 0.00 58.31 55.17 2xi6 n LYS 136 Cb 0.41 -0.16 0.00 0.00 -0.02 0.00 0.00 35.03 35.27 2xi6 n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2xi6 n GLY 137 N 1.95 6.71 0.24 0.72 0.00 -1.26 -3.27 105.19 110.27 2xi6 n GLY 137 Ca 0.07 -1.83 -0.06 0.00 0.00 0.00 0.00 46.02 44.20 2xi6 n GLY 137 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2xi6 h SER 138 N 0.00 0.69 -0.86 1.61 0.02 -1.92 -0.65 113.55 112.44 2xi6 h SER 138 Ca 0.00 -0.02 0.05 0.00 -0.84 0.00 0.00 61.79 60.98 2xi6 h SER 138 Cb 0.00 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.31 2xi6 h SER 138 CO 0.00 0.51 0.54 0.44 -1.14 0.00 0.00 176.83 177.18 2xi6 h ASP 139 N 0.81 0.87 -0.18 3.07 3.32 -1.99 -0.75 116.42 121.57 2xi6 h ASP 139 Ca 0.22 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 2xi6 h ASP 139 Cb -0.08 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 2xi6 h ASP 139 CO -0.05 0.57 0.10 -0.74 -1.72 0.00 0.00 179.24 177.41 2xi6 h HIS 140 N 1.02 0.25 -0.89 4.55 2.76 -1.75 -1.05 115.15 120.03 2xi6 h HIS 140 Ca 0.36 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.60 2xi6 h HIS 140 Cb 0.11 -0.08 -0.06 0.00 1.55 0.00 0.00 27.41 28.92 2xi6 h HIS 140 CO -0.03 0.23 0.56 -0.07 -1.30 0.00 0.00 177.93 177.31 2xi6 h LEU 141 N 0.20 0.87 -0.73 0.26 3.38 -0.69 -1.17 115.31 117.43 2xi6 h LEU 141 Ca 0.06 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 2xi6 h LEU 141 Cb 0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2xi6 h LEU 141 CO -0.01 0.55 -0.60 0.03 0.09 0.00 0.00 178.44 178.50 2xi6 h ARG 142 N 1.00 0.13 -0.74 1.13 3.08 -0.80 0.16 114.38 118.34 2xi6 h ARG 142 Ca 0.39 -0.09 0.08 0.00 0.07 0.00 0.00 59.98 60.43 2xi6 h ARG 142 Cb 0.20 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.20 2xi6 h ARG 142 CO -0.18 0.69 0.41 -0.44 -1.07 0.00 0.00 179.97 179.37 2xi6 h ASP 143 N 0.10 0.59 0.00 7.04 3.32 -0.46 0.12 116.42 127.13 2xi6 h ASP 143 Ca -0.01 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 2xi6 h ASP 143 Cb 1.08 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 2xi6 h ASP 143 CO 0.09 0.36 -0.46 0.58 -1.72 0.00 0.00 179.24 178.09 2xi6 h VAL 144 N 0.72 0.80 -0.23 -1.35 2.07 -0.95 -1.13 116.25 116.18 2xi6 h VAL 144 Ca 0.34 -1.74 -0.16 0.00 0.82 0.00 0.00 66.70 65.97 2xi6 h VAL 144 Cb 0.27 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2xi6 h VAL 144 CO -0.22 0.27 -0.50 -0.26 0.02 0.00 0.00 177.57 176.88 2xi6 h PHE 145 N -1.00 0.79 0.00 1.57 -1.00 -1.09 -1.51 116.94 114.70 2xi6 h PHE 145 Ca -0.10 -0.26 0.00 0.00 2.81 0.00 0.00 57.97 60.42 2xi6 h PHE 145 Cb 0.77 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.18 2xi6 h PHE 145 CO 0.07 1.01 -0.31 0.41 -1.61 0.00 0.00 178.31 177.88 2xi6 n GLY 146 N 0.20 -0.77 0.23 -1.45 0.00 0.28 -0.50 105.19 103.19 2xi6 n GLY 146 Ca -0.03 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 2xi6 n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2xi6 h LYS 147 N -0.57 0.53 0.00 1.61 1.57 -1.08 -1.50 116.57 117.12 2xi6 h LYS 147 Ca 0.00 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2xi6 h LYS 147 Cb 0.31 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2xi6 h LYS 147 CO 0.00 0.79 -0.18 0.00 -0.57 0.00 0.00 179.45 179.50 2xi6 h ALA 148 N 1.19 0.00 0.00 3.86 0.00 -1.18 -3.42 119.26 119.71 2xi6 h ALA 148 Ca 0.05 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 2xi6 h ALA 148 Cb 0.79 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2xi6 h ALA 148 CO 0.06 0.18 -0.39 0.52 0.00 0.00 0.00 179.25 179.62 2xi6 h MET 149 N -0.44 0.00 0.00 0.00 2.86 -1.22 0.32 114.93 116.45 2xi6 h MET 149 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2xi6 h MET 149 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 2xi6 h MET 149 CO 0.00 0.39 0.00 0.41 1.06 0.00 0.00 176.91 178.77 2xi6 n GLY 150 N 0.20 0.65 3.95 8.32 0.00 -0.56 -4.64 105.19 113.11 2xi6 n GLY 150 Ca -0.00 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 2xi6 n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2xi6 s LEU 151 N 0.00 3.68 0.59 0.99 1.43 0.35 -4.96 118.68 120.76 2xi6 s LEU 151 Ca 0.00 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 2xi6 s LEU 151 Cb 0.00 -3.22 0.05 0.00 0.03 0.00 0.00 46.19 43.04 2xi6 s LEU 151 CO 0.00 -0.65 0.83 0.42 0.23 0.00 0.00 176.35 177.18 2xi6 s THR 152 N -2.54 2.55 0.31 5.49 -4.23 -1.26 -4.14 115.64 111.81 2xi6 s THR 152 Ca 0.47 -0.62 -0.01 0.00 -1.18 0.00 0.00 61.69 60.36 2xi6 s THR 152 Cb -0.10 -2.93 0.22 0.00 1.34 0.00 0.00 72.50 71.03 2xi6 s THR 152 CO 0.38 0.00 1.93 0.44 -0.54 0.00 0.00 174.62 176.83 2xi6 h ASP 153 N -0.07 0.83 -0.52 3.99 5.19 -1.99 -1.60 116.42 122.25 2xi6 h ASP 153 Ca -0.41 -0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 55.90 2xi6 h ASP 153 Cb 1.29 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.57 2xi6 h ASP 153 CO 0.51 0.67 0.21 -0.61 -3.12 0.00 0.00 179.24 176.90 2xi6 h GLN 154 N 0.94 0.78 -0.86 3.56 4.15 -1.95 -2.46 115.11 119.27 2xi6 h GLN 154 Ca 0.24 -0.14 0.06 0.00 0.77 0.00 0.00 58.65 59.58 2xi6 h GLN 154 Cb 0.03 -0.13 -0.06 0.00 0.21 0.00 0.00 27.48 27.53 2xi6 h GLN 154 CO -0.04 0.69 0.53 -0.44 -1.93 0.00 0.00 178.83 177.63 2xi6 h ASP 155 N 0.70 0.82 -0.42 -0.69 3.32 -1.76 -1.64 116.42 116.76 2xi6 h ASP 155 Ca 0.17 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.26 2xi6 h ASP 155 Cb 0.20 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2xi6 h ASP 155 CO -0.01 0.52 0.26 0.40 -1.72 0.00 0.00 179.24 178.69 2xi6 h ILE 156 N 0.95 1.07 -0.20 0.35 2.04 -0.84 -0.50 117.51 120.38 2xi6 h ILE 156 Ca 0.38 -0.18 -0.08 0.00 1.00 0.00 0.00 64.86 65.97 2xi6 h ILE 156 Cb 0.19 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2xi6 h ILE 156 CO -0.18 0.10 -0.19 0.58 0.00 0.00 0.00 178.15 178.45 2xi6 h VAL 157 N 0.52 1.33 -0.47 1.67 2.07 -1.32 -1.08 116.25 118.98 2xi6 h VAL 157 Ca 0.16 -1.35 0.02 0.00 0.82 0.00 0.00 66.70 66.35 2xi6 h VAL 157 Cb -0.02 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 2xi6 h VAL 157 CO -0.06 0.41 0.28 0.00 0.02 0.00 0.00 177.57 178.23 2xi6 h ALA 158 N 0.65 0.59 -0.07 1.67 0.00 -1.20 -2.44 119.26 118.47 2xi6 h ALA 158 Ca 0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2xi6 h ALA 158 Cb 0.73 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2xi6 h ALA 158 CO 0.05 -0.02 -0.36 -0.07 0.00 0.00 0.00 179.25 178.84 2xi6 h LEU 159 N 0.57 0.15 -2.13 0.00 3.38 -1.04 -0.82 115.31 115.42 2xi6 h LEU 159 Ca 0.18 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.14 2xi6 h LEU 159 Cb 0.00 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2xi6 h LEU 159 CO -0.08 0.51 0.10 0.28 0.09 0.00 0.00 178.44 179.34 2xi6 h SER 160 N 0.13 0.00 0.26 -0.43 0.02 -0.70 -0.73 113.55 112.10 2xi6 h SER 160 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2xi6 h SER 160 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2xi6 h SER 160 CO 0.05 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 2xi6 n GLY 161 N -1.49 -0.75 0.33 -3.77 0.00 -0.31 -1.88 105.19 97.31 2xi6 n GLY 161 Ca 0.00 -0.03 0.16 0.00 0.00 0.00 0.00 46.02 46.16 2xi6 n GLY 161 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2xi6 h GLY 162 N 1.37 0.00 1.14 -0.02 0.00 -1.26 0.40 103.07 104.71 2xi6 h GLY 162 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2xi6 h GLY 162 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.96 2xi6 n HIS 163 N -3.94 0.00 0.33 5.60 8.25 -0.79 -2.30 115.22 122.38 2xi6 n HIS 163 Ca 0.01 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.68 2xi6 n HIS 163 Cb 0.30 -0.07 1.12 0.00 1.12 0.00 0.00 29.99 32.45 2xi6 n HIS 163 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2xi6 h THR 164 N 0.00 0.11 -3.79 1.59 1.03 -1.15 -3.40 112.91 107.31 2xi6 h THR 164 Ca 0.00 -0.06 -0.68 0.00 -0.01 0.00 0.00 66.41 65.66 2xi6 h THR 164 Cb 0.04 1.05 -0.19 0.00 -1.07 0.00 0.00 68.15 67.98 2xi6 h THR 164 CO 0.00 0.01 -0.79 0.27 -0.01 0.00 0.00 175.52 175.00 2xi6 s ILE 165 N -4.20 2.94 0.00 0.00 -4.36 -0.97 -4.50 121.20 110.11 2xi6 s ILE 165 Ca -0.04 -1.32 0.00 0.00 -0.26 0.00 0.00 60.65 59.03 2xi6 s ILE 165 Cb 0.13 -2.31 0.00 0.00 1.25 0.00 0.00 42.46 41.53 2xi6 s ILE 165 CO 0.45 0.20 0.00 0.61 0.24 0.00 0.00 174.94 176.44 2xi6 n GLY 166 N 1.10 -2.53 3.40 6.27 0.00 0.24 -4.88 105.19 108.79 2xi6 n GLY 166 Ca -0.15 -2.06 -0.10 0.00 0.00 0.00 0.00 46.02 43.70 2xi6 n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xi6 s ALA 167 N -1.66 -1.02 0.48 4.61 0.00 -1.26 -3.84 121.76 119.06 2xi6 s ALA 167 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.90 2xi6 s ALA 167 Cb 0.00 0.78 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 2xi6 s ALA 167 CO 0.00 -0.72 0.74 0.00 0.00 0.00 0.00 175.76 175.78 2xi6 s ALA 168 N -3.82 3.58 -0.05 0.00 0.00 0.27 -4.87 121.76 116.87 2xi6 s ALA 168 Ca 0.05 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.15 2xi6 s ALA 168 Cb 0.00 -2.32 0.02 0.00 0.00 0.00 0.00 23.12 20.83 2xi6 s ALA 168 CO -0.09 -0.45 -0.07 -1.01 0.00 0.00 0.00 175.76 174.15 2xi6 s HIS 169 N -2.67 0.97 0.55 0.00 3.76 -0.78 -1.01 115.29 116.11 2xi6 s HIS 169 Ca 0.49 -0.32 0.38 0.00 -0.15 0.00 0.00 55.06 55.46 2xi6 s HIS 169 Cb -0.10 -0.80 2.06 0.00 1.11 0.00 0.00 32.58 34.84 2xi6 s HIS 169 CO 0.41 -0.23 2.26 1.57 -0.85 0.00 0.00 174.74 177.90 2xi6 h LYS 170 N 7.20 0.00 -0.00 1.40 2.10 -1.43 0.78 116.57 126.61 2xi6 h LYS 170 Ca -0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 2xi6 h LYS 170 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2xi6 h LYS 170 CO 0.46 0.02 -0.27 -0.85 -2.00 0.00 0.00 179.45 176.81 2xi6 n GLU 171 N -3.30 0.38 0.00 0.07 0.00 -1.26 -3.07 120.64 113.46 2xi6 n GLU 171 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 57.16 56.96 2xi6 n GLU 171 Cb 0.13 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.07 2xi6 n GLU 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2xi6 n ARG 172 N -1.15 0.00 0.04 3.44 1.74 0.22 -4.83 116.66 116.13 2xi6 n ARG 172 Ca 0.10 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 57.02 2xi6 n ARG 172 Cb 0.32 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.71 2xi6 n ARG 172 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2xi6 h SER 173 N 0.00 0.72 0.00 0.55 4.64 -1.71 -3.46 113.55 114.29 2xi6 h SER 173 Ca 0.00 -0.55 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 2xi6 h SER 173 Cb 0.00 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 2xi6 h SER 173 CO 0.00 1.34 0.00 0.61 -0.87 0.00 0.00 176.83 177.91 2xi6 n GLY 174 N 0.90 0.96 3.75 -0.77 0.00 -0.94 -5.01 105.19 104.09 2xi6 n GLY 174 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2xi6 n GLY 174 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2xi6 s PHE 175 N -1.42 2.50 -0.10 1.61 0.40 -1.26 -4.29 117.98 115.43 2xi6 s PHE 175 Ca 0.00 1.39 -0.06 0.00 -0.60 0.00 0.00 56.93 57.66 2xi6 s PHE 175 Cb 0.00 -3.10 0.04 0.00 0.51 0.00 0.00 43.02 40.48 2xi6 s PHE 175 CO 0.00 -2.04 0.23 -2.00 0.70 0.00 0.00 175.22 172.12 2xi6 s GLU 176 N -4.94 0.21 0.00 0.44 2.56 -1.26 -1.45 118.70 114.26 2xi6 s GLU 176 Ca 0.62 0.47 0.00 0.00 0.00 0.00 0.00 54.97 56.06 2xi6 s GLU 176 Cb -0.17 -0.07 0.00 0.00 2.00 0.00 0.00 34.13 35.89 2xi6 s GLU 176 CO 0.56 -0.14 0.00 0.41 -0.56 0.00 0.00 175.26 175.54 2xi6 n GLY 177 N 3.96 2.07 3.86 -1.50 0.00 -0.18 -4.76 105.19 108.63 2xi6 n GLY 177 Ca -0.23 -1.98 -0.31 0.00 0.00 0.00 0.00 46.02 43.50 2xi6 n GLY 177 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2xi6 s PRO 178 N -2.49 3.88 0.34 1.61 0.04 -1.26 -0.56 135.00 136.55 2xi6 s PRO 178 Ca 0.00 0.76 0.19 0.00 0.04 0.00 0.00 61.00 61.99 2xi6 s PRO 178 Cb 0.00 -2.24 0.17 0.00 0.04 0.00 0.00 34.50 32.47 2xi6 s PRO 178 CO 0.00 -0.17 1.47 -1.49 0.04 0.00 0.00 177.00 176.85 2xi6 h TRP 179 N 1.06 0.00 -3.53 0.56 6.55 -1.77 -0.61 115.95 118.21 2xi6 h TRP 179 Ca -0.47 0.00 -0.32 0.00 0.95 0.00 0.00 58.89 59.06 2xi6 h TRP 179 Cb 1.19 0.00 -0.15 0.00 -0.86 0.00 0.00 29.16 29.34 2xi6 h TRP 179 CO 0.63 0.27 -0.68 0.95 -1.05 0.00 0.00 178.44 178.55 2xi6 s THR 180 N -3.08 0.94 -0.61 1.49 -4.23 -1.26 -4.55 115.64 104.33 2xi6 s THR 180 Ca 0.05 -2.02 0.25 0.00 -1.18 0.00 0.00 61.69 58.79 2xi6 s THR 180 Cb 0.07 -2.02 0.27 0.00 1.34 0.00 0.00 72.50 72.16 2xi6 s THR 180 CO 0.72 -0.58 1.75 -1.20 -0.54 0.00 0.00 174.62 174.77 2xi6 n SER 181 N -0.24 0.78 -3.23 3.99 7.64 -1.26 -4.07 113.62 117.23 2xi6 n SER 181 Ca -0.08 0.62 -0.25 0.00 1.01 0.00 0.00 58.87 60.17 2xi6 n SER 181 Cb 0.62 -0.81 -0.06 0.00 -1.01 0.00 0.00 64.21 62.95 2xi6 n SER 181 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2xi6 n ASN 182 N -2.28 2.18 0.00 6.43 6.94 -1.26 -4.99 115.26 122.28 2xi6 n ASN 182 Ca 0.04 -3.15 0.06 0.00 -0.02 0.00 0.00 54.58 51.50 2xi6 n ASN 182 Cb 0.35 -0.63 0.34 0.00 -2.36 0.00 0.00 39.78 37.47 2xi6 n ASN 182 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 2xi6 n PRO 183 N 0.78 0.76 -0.20 -0.53 -0.04 -1.26 -1.25 135.00 133.27 2xi6 n PRO 183 Ca 0.26 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.78 2xi6 n PRO 183 Cb 0.49 -1.23 0.15 0.00 -0.04 0.00 0.00 33.50 32.87 2xi6 n PRO 183 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2xi6 n LEU 184 N -0.73 2.95 -4.18 1.53 4.77 -1.26 -0.59 117.00 119.48 2xi6 n LEU 184 Ca 0.08 -2.40 -0.34 0.00 -0.03 0.00 0.00 56.01 53.33 2xi6 n LEU 184 Cb 0.04 -0.30 -0.15 0.00 -2.33 0.00 0.00 43.42 40.69 2xi6 n LEU 184 CO 0.06 0.67 -0.44 -0.63 -1.33 0.00 0.00 177.39 175.72 2xi6 s ILE 185 N -1.71 2.65 -0.59 -0.08 -1.09 -0.38 -4.66 121.20 115.35 2xi6 s ILE 185 Ca 0.25 -0.98 -0.28 0.00 -2.23 0.00 0.00 60.65 57.41 2xi6 s ILE 185 Cb 0.18 -2.28 0.03 0.00 -1.58 0.00 0.00 42.46 38.80 2xi6 s ILE 185 CO 0.09 0.31 1.25 0.12 -1.23 0.00 0.00 174.94 175.48 2xi6 s PHE 186 N 1.32 2.51 0.06 3.97 2.19 -0.17 -4.62 117.98 123.24 2xi6 s PHE 186 Ca 0.02 0.38 0.00 0.00 0.33 0.00 0.00 56.93 57.66 2xi6 s PHE 186 Cb -0.16 -4.51 0.00 0.00 -1.31 0.00 0.00 43.02 37.05 2xi6 s PHE 186 CO -0.07 -1.72 0.08 -0.40 1.83 0.00 0.00 175.22 174.94 2xi6 n ASP 187 N 8.77 -0.22 -0.78 6.13 5.75 -1.26 -4.34 116.55 130.60 2xi6 n ASP 187 Ca 0.09 -1.35 0.04 0.00 -0.01 0.00 0.00 54.79 53.56 2xi6 n ASP 187 Cb 0.49 0.42 0.15 0.00 -1.03 0.00 0.00 41.12 41.15 2xi6 n ASP 187 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2xi6 n ASN 188 N -2.19 2.18 0.09 -1.12 6.94 -1.26 -4.39 115.26 115.50 2xi6 n ASN 188 Ca 0.00 -2.17 0.06 0.00 -0.02 0.00 0.00 54.58 52.46 2xi6 n ASN 188 Cb 0.11 -0.37 0.51 0.00 -2.36 0.00 0.00 39.78 37.67 2xi6 n ASN 188 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2xi6 h SER 189 N 1.68 0.28 -0.63 0.53 0.02 -1.93 -1.76 113.55 111.75 2xi6 h SER 189 Ca 0.00 -0.01 0.12 0.00 -0.84 0.00 0.00 61.79 61.06 2xi6 h SER 189 Cb 0.71 -0.07 -0.09 0.00 0.14 0.00 0.00 62.40 63.09 2xi6 h SER 189 CO 0.09 0.20 0.15 0.22 -1.14 0.00 0.00 176.83 176.35 2xi6 h TYR 190 N 0.34 0.24 -0.21 3.45 3.20 -1.88 -1.19 116.97 120.92 2xi6 h TYR 190 Ca 0.10 0.04 -0.19 0.00 3.14 0.00 0.00 58.73 61.82 2xi6 h TYR 190 Cb -0.00 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.25 2xi6 h TYR 190 CO -0.00 -0.02 -0.62 0.74 -1.64 0.00 0.00 178.16 176.62 2xi6 h PHE 191 N 0.28 0.92 -0.33 -3.82 0.04 -1.68 -1.80 116.94 110.55 2xi6 h PHE 191 Ca 0.33 -0.35 -0.10 0.00 2.80 0.00 0.00 57.97 60.65 2xi6 h PHE 191 Cb 0.49 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 2xi6 h PHE 191 CO -0.24 1.15 -0.22 1.79 -0.60 0.00 0.00 178.31 180.18 2xi6 h THR 192 N 0.53 1.27 -0.33 -1.55 1.35 -1.26 -1.60 112.91 111.31 2xi6 h THR 192 Ca -0.01 -1.29 -0.07 0.00 -0.55 0.00 0.00 66.41 64.49 2xi6 h THR 192 Cb 1.21 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 2xi6 h THR 192 CO 0.13 0.42 -0.08 -0.33 -0.25 0.00 0.00 175.52 175.40 2xi6 h GLU 193 N 0.56 0.64 -0.84 4.72 4.39 -1.21 -2.37 114.58 120.47 2xi6 h GLU 193 Ca 0.08 -0.25 0.10 0.00 0.34 0.00 0.00 59.36 59.63 2xi6 h GLU 193 Cb 0.69 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.23 2xi6 h GLU 193 CO 0.05 0.82 0.48 1.25 -1.16 0.00 0.00 179.01 180.45 2xi6 h LEU 194 N 0.42 0.68 -0.61 1.33 5.85 -1.07 -2.24 115.31 119.67 2xi6 h LEU 194 Ca 0.08 0.05 -0.15 0.00 0.84 0.00 0.00 57.88 58.71 2xi6 h LEU 194 Cb 0.58 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2xi6 h LEU 194 CO 0.03 0.38 -0.53 -0.07 -0.34 0.00 0.00 178.44 177.92 2xi6 h LEU 195 N 0.80 0.50 -0.19 2.25 3.38 -1.18 -3.32 115.31 117.54 2xi6 h LEU 195 Ca 0.41 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2xi6 h LEU 195 Cb 0.39 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2xi6 h LEU 195 CO -0.25 0.93 0.00 -1.54 0.09 0.00 0.00 178.44 177.67 2xi6 n SER 196 N -3.95 0.29 0.00 -0.43 3.41 -0.85 -5.01 113.62 107.08 2xi6 n SER 196 Ca -0.03 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.35 2xi6 n SER 196 Cb 0.58 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 2xi6 n SER 196 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2xi6 n GLY 197 N 0.96 2.25 3.70 5.00 0.00 -1.22 -4.89 105.19 111.00 2xi6 n GLY 197 Ca 0.20 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 2xi6 n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2xi6 s GLU 198 N -2.93 4.49 -0.07 1.61 0.41 -1.26 -4.75 118.70 116.20 2xi6 s GLU 198 Ca 0.00 1.48 -0.04 0.00 -0.41 0.00 0.00 54.97 56.01 2xi6 s GLU 198 Cb 0.00 -3.47 -0.04 0.00 -1.78 0.00 0.00 34.13 28.84 2xi6 s GLU 198 CO 0.00 -0.17 0.10 0.21 -0.49 0.00 0.00 175.26 174.91 2xi6 s LYS 199 N 1.35 3.25 0.39 1.61 2.20 -1.26 -5.07 119.74 122.20 2xi6 s LYS 199 Ca 0.52 -0.30 -0.27 0.00 -0.36 0.00 0.00 55.97 55.56 2xi6 s LYS 199 Cb -0.22 -3.01 -0.10 0.00 -1.51 0.00 0.00 37.83 32.99 2xi6 s LYS 199 CO 0.25 0.72 1.41 -1.21 -0.36 0.00 0.00 175.35 176.16 2xi6 s GLU 200 N -1.30 4.04 0.00 4.03 0.41 -1.26 -1.81 118.70 122.82 2xi6 s GLU 200 Ca 0.18 2.40 0.00 0.00 -0.41 0.00 0.00 54.97 57.14 2xi6 s GLU 200 Cb -0.12 -2.89 0.00 0.00 -1.78 0.00 0.00 34.13 29.34 2xi6 s GLU 200 CO 0.08 -0.52 0.00 0.41 -0.49 0.00 0.00 175.26 174.74 2xi6 n GLY 201 N 0.58 2.67 3.63 -1.39 0.00 -1.26 -5.05 105.19 104.37 2xi6 n GLY 201 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2xi6 n GLY 201 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2xi6 s LEU 202 N 0.00 3.29 -0.01 0.99 1.43 -0.75 -4.48 118.68 119.14 2xi6 s LEU 202 Ca 0.00 -0.17 -0.13 0.00 -1.03 0.00 0.00 54.13 52.80 2xi6 s LEU 202 Cb 0.00 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.21 2xi6 s LEU 202 CO 0.00 0.24 0.37 -0.22 0.23 0.00 0.00 176.35 176.97 2xi6 s LEU 203 N -1.80 4.46 -0.05 1.79 2.96 -0.24 -4.69 118.68 121.11 2xi6 s LEU 203 Ca 0.20 0.88 -0.01 0.00 -0.22 0.00 0.00 54.13 54.99 2xi6 s LEU 203 Cb -0.11 -2.54 0.03 0.00 0.50 0.00 0.00 46.19 44.07 2xi6 s LEU 203 CO 0.12 0.33 0.02 -1.10 -1.32 0.00 0.00 176.35 174.39 2xi6 s GLN 204 N -1.13 0.33 0.56 1.98 -0.21 -1.26 -4.48 119.66 115.45 2xi6 s GLN 204 Ca 0.23 0.17 -0.15 0.00 0.02 0.00 0.00 55.36 55.63 2xi6 s GLN 204 Cb -0.16 -0.71 -0.06 0.00 1.00 0.00 0.00 33.01 33.09 2xi6 s GLN 204 CO 0.12 -0.26 1.01 -0.51 -2.12 0.00 0.00 175.29 173.53 2xi6 s LEU 205 N 1.76 3.50 0.39 2.90 1.43 -1.26 -4.91 118.68 122.48 2xi6 s LEU 205 Ca 0.01 1.59 0.11 0.00 -1.03 0.00 0.00 54.13 54.81 2xi6 s LEU 205 Cb -0.13 -4.50 0.91 0.00 0.03 0.00 0.00 46.19 42.50 2xi6 s LEU 205 CO -0.04 -0.79 1.92 -0.65 0.23 0.00 0.00 176.35 177.02 2xi6 h PRO 206 N 0.50 0.56 -0.15 1.29 0.11 -1.84 -0.83 132.00 131.64 2xi6 h PRO 206 Ca -0.46 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 2xi6 h PRO 206 Cb 1.19 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2xi6 h PRO 206 CO 0.61 0.37 -0.20 0.66 -0.21 0.00 0.00 178.00 179.22 2xi6 h SER 207 N 0.58 0.26 -0.00 -2.05 4.64 -1.22 -0.71 113.55 115.05 2xi6 h SER 207 Ca 0.38 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2xi6 h SER 207 Cb 0.66 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2xi6 h SER 207 CO -0.14 0.47 -0.00 0.44 -0.87 0.00 0.00 176.83 176.73 2xi6 h ASP 208 N 0.24 0.00 0.18 4.97 3.32 -1.50 -3.22 116.42 120.42 2xi6 h ASP 208 Ca 0.04 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 2xi6 h ASP 208 Cb 0.50 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 2xi6 h ASP 208 CO 0.03 0.36 -0.10 0.11 -1.72 0.00 0.00 179.24 177.92 2xi6 h LYS 209 N -0.36 0.00 -0.33 3.56 1.57 -0.80 -0.64 116.57 119.58 2xi6 h LYS 209 Ca 0.00 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 2xi6 h LYS 209 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2xi6 h LYS 209 CO 0.00 0.10 0.24 0.00 -0.57 0.00 0.00 179.45 179.22 2xi6 h ALA 210 N 1.90 2.26 0.00 3.86 0.00 -1.14 -0.48 119.26 125.66 2xi6 h ALA 210 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2xi6 h ALA 210 Cb 0.21 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2xi6 h ALA 210 CO 0.01 -0.41 -0.20 -0.07 0.00 0.00 0.00 179.25 178.58 2xi6 h LEU 211 N 0.00 0.00 -0.86 0.00 3.38 -1.22 -2.86 115.31 113.75 2xi6 h LEU 211 Ca 0.15 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 2xi6 h LEU 211 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2xi6 h LEU 211 CO -0.00 0.20 -0.47 -0.07 0.09 0.00 0.00 178.44 178.19 2xi6 h LEU 212 N 0.00 0.00 -1.02 1.67 3.38 -1.22 -2.89 115.31 115.23 2xi6 h LEU 212 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2xi6 h LEU 212 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2xi6 h LEU 212 CO 0.03 0.47 -0.30 -1.54 0.09 0.00 0.00 178.44 177.19 2xi6 n SER 213 N -3.65 1.79 -4.73 -0.43 3.41 -1.09 -4.67 113.62 104.26 2xi6 n SER 213 Ca -0.01 -1.40 -0.41 0.00 -0.26 0.00 0.00 58.87 56.80 2xi6 n SER 213 Cb 0.55 0.40 -0.04 0.00 -0.26 0.00 0.00 64.21 64.86 2xi6 n SER 213 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2xi6 s ASP 214 N -1.90 7.29 0.54 4.04 -1.08 -1.14 -4.96 116.67 119.47 2xi6 s ASP 214 Ca 0.15 1.55 0.27 0.00 -0.52 0.00 0.00 52.55 54.01 2xi6 s ASP 214 Cb 0.14 -2.52 1.56 0.00 -1.46 0.00 0.00 42.92 40.64 2xi6 s ASP 214 CO 0.39 -0.11 2.13 -0.65 0.52 0.00 0.00 175.17 177.46 2xi6 h PRO 215 N 6.16 0.00 0.13 4.34 0.11 -1.91 -1.20 132.00 139.63 2xi6 h PRO 215 Ca -0.42 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.36 2xi6 h PRO 215 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2xi6 h PRO 215 CO 0.73 0.08 -1.71 0.28 -0.21 0.00 0.00 178.00 177.17 2xi6 h VAL 216 N 0.00 0.84 -0.39 3.15 2.07 -1.94 -3.39 116.25 116.60 2xi6 h VAL 216 Ca -0.00 -2.39 -0.13 0.00 0.82 0.00 0.00 66.70 65.00 2xi6 h VAL 216 Cb 0.21 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 2xi6 h VAL 216 CO 0.01 0.79 -0.28 -0.26 0.02 0.00 0.00 177.57 177.85 2xi6 h PHE 217 N -0.11 0.95 -0.39 1.57 0.04 -1.78 -3.32 116.94 113.90 2xi6 h PHE 217 Ca -0.37 -0.24 -0.01 0.00 2.80 0.00 0.00 57.97 60.15 2xi6 h PHE 217 Cb 1.92 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 39.83 2xi6 h PHE 217 CO 0.10 1.01 0.20 -0.09 -0.60 0.00 0.00 178.31 178.93 2xi6 h ARG 218 N 0.70 0.55 -0.45 1.51 9.65 -0.99 -1.70 114.38 123.66 2xi6 h ARG 218 Ca 0.08 -0.07 0.10 0.00 -1.10 0.00 0.00 59.98 58.99 2xi6 h ARG 218 Cb 0.82 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.28 2xi6 h ARG 218 CO 0.07 0.46 0.31 -1.35 2.80 0.00 0.00 179.97 182.27 2xi6 h PRO 219 N 0.50 0.14 -0.20 0.20 0.11 -1.76 -1.71 132.00 129.28 2xi6 h PRO 219 Ca 0.14 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.12 2xi6 h PRO 219 Cb 0.08 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.16 2xi6 h PRO 219 CO -0.02 0.09 -0.34 -0.07 -0.21 0.00 0.00 178.00 177.45 2xi6 h LEU 220 N 0.15 0.65 -0.72 2.35 3.38 -1.46 -0.90 115.31 118.76 2xi6 h LEU 220 Ca 0.21 -0.53 0.09 0.00 0.09 0.00 0.00 57.88 57.73 2xi6 h LEU 220 Cb 0.64 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 2xi6 h LEU 220 CO -0.03 1.06 0.37 0.58 0.09 0.00 0.00 178.44 180.51 2xi6 h VAL 221 N 0.26 0.88 -0.46 1.22 2.07 -0.68 0.31 116.25 119.87 2xi6 h VAL 221 Ca 0.01 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 2xi6 h VAL 221 Cb 0.93 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2xi6 h VAL 221 CO 0.08 0.12 0.13 0.44 0.02 0.00 0.00 177.57 178.35 2xi6 h ASP 222 N 0.64 0.68 -0.23 0.57 3.32 -1.24 -1.11 116.42 119.05 2xi6 h ASP 222 Ca 0.34 -0.22 0.04 0.00 0.02 0.00 0.00 57.03 57.22 2xi6 h ASP 222 Cb 0.33 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 2xi6 h ASP 222 CO -0.25 0.72 -0.05 0.50 -1.72 0.00 0.00 179.24 178.44 2xi6 h LYS 223 N 0.60 0.01 -0.15 3.56 3.64 -0.53 -1.45 116.57 122.25 2xi6 h LYS 223 Ca 0.15 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.41 2xi6 h LYS 223 Cb 0.29 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2xi6 h LYS 223 CO -0.00 0.01 -0.42 1.88 -2.27 0.00 0.00 179.45 178.65 2xi6 h TYR 224 N 0.01 0.40 -0.08 1.91 0.05 -0.70 0.23 116.97 118.79 2xi6 h TYR 224 Ca 0.11 -0.11 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 2xi6 h TYR 224 Cb 0.16 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 2xi6 h TYR 224 CO -0.23 0.70 -0.31 0.00 -1.05 0.00 0.00 178.16 177.28 2xi6 h ALA 225 N 1.28 1.33 0.00 3.88 0.00 -0.88 -2.97 119.26 121.91 2xi6 h ALA 225 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2xi6 h ALA 225 Cb 0.86 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2xi6 h ALA 225 CO 0.07 0.47 -1.05 0.00 0.00 0.00 0.00 179.25 178.73 2xi6 n ALA 226 N -2.48 2.54 -3.45 0.00 0.00 -0.58 -4.78 120.51 111.76 2xi6 n ALA 226 Ca -0.01 -0.25 -0.26 0.00 0.00 0.00 0.00 53.44 52.92 2xi6 n ALA 226 Cb 0.39 -1.09 -0.12 0.00 0.00 0.00 0.00 19.45 18.63 2xi6 n ALA 226 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2xi6 s ASP 227 N -5.31 2.68 0.43 0.00 -1.08 0.01 -4.98 116.67 108.40 2xi6 s ASP 227 Ca -0.01 -1.83 0.16 0.00 -0.52 0.00 0.00 52.55 50.35 2xi6 s ASP 227 Cb 0.10 -0.16 0.94 0.00 -1.46 0.00 0.00 42.92 42.34 2xi6 s ASP 227 CO 0.80 -0.33 1.93 -0.08 0.52 0.00 0.00 175.17 178.01 2xi6 h GLU 228 N 7.36 0.00 -0.47 4.34 4.81 -1.84 -1.98 114.58 126.79 2xi6 h GLU 228 Ca -0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 2xi6 h GLU 228 Cb 1.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 2xi6 h GLU 228 CO 0.29 0.26 0.01 -0.44 -0.73 0.00 0.00 179.01 178.40 2xi6 h ASP 229 N 0.00 0.73 -0.54 1.04 3.32 -1.94 0.70 116.42 119.73 2xi6 h ASP 229 Ca -0.00 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 56.80 2xi6 h ASP 229 Cb 0.48 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 2xi6 h ASP 229 CO 0.03 0.79 0.01 0.00 -1.72 0.00 0.00 179.24 178.35 2xi6 h ALA 230 N 1.30 0.72 0.02 3.45 0.00 -1.76 -1.19 119.26 121.80 2xi6 h ALA 230 Ca 0.14 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2xi6 h ALA 230 Cb 0.42 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2xi6 h ALA 230 CO 0.02 0.54 -0.05 0.35 0.00 0.00 0.00 179.25 180.10 2xi6 h PHE 231 N 0.82 -0.13 -0.96 0.00 3.57 -0.94 -1.59 116.94 117.72 2xi6 h PHE 231 Ca 0.15 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.69 2xi6 h PHE 231 Cb 0.52 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 2xi6 h PHE 231 CO 0.04 -0.08 0.63 0.74 -2.23 0.00 0.00 178.31 177.41 2xi6 h PHE 232 N -0.10 1.17 -0.10 0.41 -1.00 -0.50 0.35 116.94 117.17 2xi6 h PHE 232 Ca 0.01 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.81 2xi6 h PHE 232 Cb 0.11 -0.39 -0.00 0.00 3.61 0.00 0.00 35.95 39.28 2xi6 h PHE 232 CO -0.11 0.68 0.01 0.00 -1.61 0.00 0.00 178.31 177.28 2xi6 h ALA 233 N 1.44 0.14 -0.19 2.45 0.00 -1.06 -0.08 119.26 121.95 2xi6 h ALA 233 Ca 0.38 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 2xi6 h ALA 233 Cb -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2xi6 h ALA 233 CO -0.11 -0.20 -0.42 -0.44 0.00 0.00 0.00 179.25 178.08 2xi6 h ASP 234 N -0.07 0.48 0.60 0.00 5.19 -0.85 -2.36 116.42 119.42 2xi6 h ASP 234 Ca 0.03 -0.21 -0.03 0.00 -0.62 0.00 0.00 57.03 56.20 2xi6 h ASP 234 Cb 0.31 -0.13 0.01 0.00 0.18 0.00 0.00 39.33 39.69 2xi6 h ASP 234 CO 0.00 0.84 -0.29 0.22 -3.12 0.00 0.00 179.24 176.90 2xi6 h TYR 235 N 0.37 -0.75 -0.99 4.55 5.03 -0.23 -1.50 116.97 123.45 2xi6 h TYR 235 Ca 0.03 -0.02 0.11 0.00 2.58 0.00 0.00 58.73 61.43 2xi6 h TYR 235 Cb 0.89 0.25 -0.08 0.00 1.55 0.00 0.00 36.73 39.34 2xi6 h TYR 235 CO 0.03 -0.43 0.62 0.00 -1.32 0.00 0.00 178.16 177.06 2xi6 h ALA 236 N -0.57 1.47 -0.35 1.82 0.00 -0.85 0.19 119.26 120.97 2xi6 h ALA 236 Ca -0.08 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2xi6 h ALA 236 Cb 0.66 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2xi6 h ALA 236 CO 0.14 0.25 0.17 1.49 0.00 0.00 0.00 179.25 181.31 2xi6 h GLU 237 N 1.01 0.50 -0.37 0.00 4.81 -1.33 -1.77 114.58 117.44 2xi6 h GLU 237 Ca 0.48 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.54 2xi6 h GLU 237 Cb 0.43 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2xi6 h GLU 237 CO -0.25 0.45 -0.18 0.00 -0.73 0.00 0.00 179.01 178.30 2xi6 h ALA 238 N 1.03 0.51 -0.48 2.92 0.00 -0.37 -2.30 119.26 120.57 2xi6 h ALA 238 Ca 0.12 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2xi6 h ALA 238 Cb 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2xi6 h ALA 238 CO -0.02 0.45 0.13 1.25 0.00 0.00 0.00 179.25 181.07 2xi6 h HIS 239 N 0.56 0.80 -0.52 0.00 -0.00 -1.01 0.95 115.15 115.93 2xi6 h HIS 239 Ca 0.08 -0.09 0.05 0.00 -0.00 0.00 0.00 60.37 60.41 2xi6 h HIS 239 Cb 0.72 -0.23 -0.05 0.00 -0.00 0.00 0.00 27.41 27.86 2xi6 h HIS 239 CO 0.06 0.71 0.26 0.37 -0.00 0.00 0.00 177.93 179.32 2xi6 h GLN 240 N 0.65 0.49 -0.42 5.26 4.15 -1.19 0.65 115.11 124.70 2xi6 h GLN 240 Ca 0.15 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 2xi6 h GLN 240 Cb 0.30 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 2xi6 h GLN 240 CO -0.00 0.32 0.21 0.87 -1.93 0.00 0.00 178.83 178.30 2xi6 h LYS 241 N 0.50 0.60 -0.26 1.69 1.57 -1.08 -2.03 116.57 117.57 2xi6 h LYS 241 Ca 0.23 -0.09 0.05 0.00 -1.87 0.00 0.00 60.65 58.97 2xi6 h LYS 241 Cb 0.14 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 2xi6 h LYS 241 CO -0.16 0.52 -0.02 1.25 -0.57 0.00 0.00 179.45 180.47 2xi6 h LEU 242 N 0.54 -0.14 -0.01 2.94 5.85 -0.47 -1.61 115.31 122.41 2xi6 h LEU 242 Ca 0.15 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2xi6 h LEU 242 Cb 0.11 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2xi6 h LEU 242 CO -0.02 -0.04 0.00 -1.54 -0.34 0.00 0.00 178.44 176.50 2xi6 n SER 243 N -5.17 0.01 -0.19 1.25 3.41 0.19 -2.32 113.62 110.79 2xi6 n SER 243 Ca -0.01 0.50 0.03 0.00 -0.26 0.00 0.00 58.87 59.13 2xi6 n SER 243 Cb 0.14 -0.50 0.06 0.00 -0.26 0.00 0.00 64.21 63.65 2xi6 n SER 243 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2xi6 n GLU 244 N -1.51 2.80 -1.72 4.33 1.02 -0.66 -4.85 120.64 120.05 2xi6 n GLU 244 Ca 0.03 -1.79 -0.43 0.00 -0.02 0.00 0.00 57.16 54.96 2xi6 n GLU 244 Cb 0.16 -1.15 -0.03 0.00 -0.02 0.00 0.00 31.44 30.41 2xi6 n GLU 244 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2xi6 n LEU 245 N -0.35 3.99 0.00 -4.62 4.77 -0.90 -1.14 117.00 118.74 2xi6 n LEU 245 Ca 0.05 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 57.14 2xi6 n LEU 245 Cb 0.36 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 39.89 2xi6 n LEU 245 CO 0.03 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 2xi6 n GLY 246 N 3.06 0.61 3.30 -0.72 0.00 -1.21 -4.30 105.19 105.93 2xi6 n GLY 246 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 2xi6 n GLY 246 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2xi6 s PHE 247 N -2.74 2.68 -1.63 1.61 5.36 -0.29 -4.18 117.98 118.79 2xi6 s PHE 247 Ca 0.00 -0.82 0.00 0.00 -0.96 0.00 0.00 56.93 55.15 2xi6 s PHE 247 Cb 0.00 -1.77 0.00 0.00 -0.34 0.00 0.00 43.02 40.91 2xi6 s PHE 247 CO 0.00 -0.30 0.00 0.00 -1.46 0.00 0.00 175.22 173.46 2xi6 n ALA 248 N 3.48 -0.42 -0.60 11.12 0.00 -1.26 -4.17 120.51 128.67 2xi6 n ALA 248 Ca -0.18 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2xi6 n ALA 248 Cb 0.53 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2xi6 n ALA 248 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2xi6 n ASP 249 N -1.12 -0.79 0.00 0.00 10.43 -1.26 -1.31 116.55 122.49 2xi6 n ASP 249 Ca -0.19 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.17 2xi6 n ASP 249 Cb 0.62 -0.40 0.00 0.00 1.84 0.00 0.00 41.12 43.19 2xi6 n ASP 249 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13