#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh8 s SER 2 N 0.00 -0.06 0.34 1.61 1.04 -1.26 -5.15 113.70 110.21 1wh8 s SER 2 Ca 0.00 0.77 -0.17 0.00 0.48 0.00 0.00 55.95 57.03 1wh8 s SER 2 Cb 0.00 1.21 0.04 0.00 0.10 0.00 0.00 66.02 67.37 1wh8 s SER 2 CO 0.00 -0.25 0.74 -0.94 0.98 0.00 0.00 173.24 173.77 1wh8 s SER 3 N 2.57 -0.07 -0.22 7.02 1.04 -1.26 -5.16 113.70 117.62 1wh8 s SER 3 Ca 0.02 -0.93 -0.06 0.00 0.48 0.00 0.00 55.95 55.45 1wh8 s SER 3 Cb -0.13 0.79 0.10 0.00 0.10 0.00 0.00 66.02 66.88 1wh8 s SER 3 CO -0.13 -1.52 0.43 -0.83 0.98 0.00 0.00 173.24 172.17 1wh8 s GLY 4 N -3.01 -0.41 0.00 7.32 0.00 -1.26 -5.04 107.32 104.91 1wh8 s GLY 4 Ca 0.14 1.44 0.00 0.00 0.00 0.00 0.00 44.72 46.31 1wh8 s GLY 4 CO 0.10 2.53 0.12 1.44 0.00 0.00 0.00 173.10 177.29 1wh8 n SER 5 N 5.39 0.00 -4.56 1.64 7.64 -1.26 -5.07 113.62 117.40 1wh8 n SER 5 Ca -0.07 -1.00 -0.42 0.00 1.01 0.00 0.00 58.87 58.39 1wh8 n SER 5 Cb 0.50 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.67 1wh8 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wh8 s SER 6 N 0.00 6.29 0.16 6.43 1.04 -1.26 -4.99 113.70 121.37 1wh8 s SER 6 Ca 0.00 -0.22 -0.01 0.00 0.48 0.00 0.00 55.95 56.21 1wh8 s SER 6 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 1wh8 s SER 6 CO 0.00 -1.66 0.08 -0.83 0.98 0.00 0.00 173.24 171.81 1wh8 s GLY 7 N 3.37 1.20 -0.28 7.32 0.00 -1.26 -5.16 107.32 112.51 1wh8 s GLY 7 Ca 0.38 -1.58 -0.15 0.00 0.00 0.00 0.00 44.72 43.37 1wh8 s GLY 7 CO 0.20 -1.40 0.67 -2.52 0.00 0.00 0.00 173.10 170.05 1wh8 s TYR 8 N -4.04 -1.08 0.62 1.90 1.13 -1.26 -5.16 117.35 109.45 1wh8 s TYR 8 Ca 0.30 2.12 -0.17 0.00 -1.41 0.00 0.00 57.07 57.91 1wh8 s TYR 8 Cb 0.07 0.64 -0.02 0.00 -1.10 0.00 0.00 41.96 41.55 1wh8 s TYR 8 CO 0.06 -0.54 1.14 -1.54 -2.51 0.00 0.00 175.55 172.16 1wh8 s SER 9 N 1.76 5.26 -0.40 -0.18 1.04 -1.26 -5.02 113.70 114.90 1wh8 s SER 9 Ca -0.10 2.14 0.03 0.00 0.48 0.00 0.00 55.95 58.51 1wh8 s SER 9 Cb -0.06 -2.57 0.17 0.00 0.10 0.00 0.00 66.02 63.66 1wh8 s SER 9 CO -0.20 -1.53 0.33 -0.83 0.98 0.00 0.00 173.24 172.00 1wh8 s GLY 10 N -2.12 1.03 -0.35 7.32 0.00 -1.26 -5.03 107.32 106.90 1wh8 s GLY 10 Ca 0.71 -2.26 0.00 0.00 0.00 0.00 0.00 44.72 43.17 1wh8 s GLY 10 CO 0.35 2.19 0.15 -0.56 0.00 0.00 0.00 173.10 175.24 1wh8 s SER 11 N 0.28 3.78 -0.18 1.64 0.01 -1.26 -5.09 113.70 112.88 1wh8 s SER 11 Ca 0.30 -1.97 -0.03 0.00 1.31 0.00 0.00 55.95 55.56 1wh8 s SER 11 Cb -0.01 -0.84 0.06 0.00 0.21 0.00 0.00 66.02 65.44 1wh8 s SER 11 CO -0.16 -0.36 0.05 -1.58 0.41 0.00 0.00 173.24 171.60 1wh8 s GLN 12 N 1.21 0.46 0.97 12.44 2.00 -1.26 -5.11 119.66 130.38 1wh8 s GLN 12 Ca 0.13 -0.30 0.00 0.00 -2.00 0.00 0.00 55.36 53.18 1wh8 s GLN 12 Cb -0.20 -2.00 0.00 0.00 0.80 0.00 0.00 33.01 31.61 1wh8 s GLN 12 CO -0.15 -0.64 0.00 0.00 -0.50 0.00 0.00 175.29 173.99 1wh8 n ALA 13 N 5.12 -1.15 -1.38 1.58 0.00 -1.26 -3.25 120.51 120.17 1wh8 n ALA 13 Ca -0.08 0.11 -0.24 0.00 0.00 0.00 0.00 53.44 53.23 1wh8 n ALA 13 Cb 0.48 -0.38 -0.06 0.00 0.00 0.00 0.00 19.45 19.49 1wh8 n ALA 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1wh8 n PRO 14 N -2.00 2.30 -0.89 0.00 -0.04 -1.26 -5.02 135.00 128.09 1wh8 n PRO 14 Ca 0.00 -2.12 0.12 0.00 -0.04 0.00 0.00 63.50 61.46 1wh8 n PRO 14 Cb 0.16 -2.08 -0.03 0.00 -0.04 0.00 0.00 33.50 31.51 1wh8 n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wh8 n GLY 15 N 1.02 -1.93 3.26 0.55 0.00 -1.20 -5.02 105.19 101.87 1wh8 n GLY 15 Ca 0.47 -1.28 0.03 0.00 0.00 0.00 0.00 46.02 45.24 1wh8 n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wh8 s GLY 16 N -5.64 -0.38 0.51 -0.02 0.00 -1.26 -5.04 107.32 95.50 1wh8 s GLY 16 Ca 0.00 2.76 0.32 0.00 0.00 0.00 0.00 44.72 47.80 1wh8 s GLY 16 CO 0.00 3.49 1.81 1.19 0.00 0.00 0.00 173.10 179.59 1wh8 h ILE 17 N 5.51 0.46 -0.49 0.90 6.09 -1.99 -0.88 117.51 127.10 1wh8 h ILE 17 Ca -0.16 -0.03 0.03 0.00 -1.37 0.00 0.00 64.86 63.33 1wh8 h ILE 17 Cb 1.15 0.37 -0.04 0.00 0.47 0.00 0.00 36.82 38.77 1wh8 h ILE 17 CO 0.04 0.01 0.28 1.56 -3.07 0.00 0.00 178.15 176.97 1wh8 h GLN 18 N 0.08 0.54 -0.31 2.19 4.20 -1.96 0.29 115.11 120.14 1wh8 h GLN 18 Ca 0.55 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 59.16 1wh8 h GLN 18 Cb 2.01 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.66 1wh8 h GLN 18 CO -0.07 0.36 -0.04 1.49 -0.67 0.00 0.00 178.83 179.90 1wh8 h GLU 19 N 0.56 0.58 -0.04 1.46 4.81 -1.59 -0.45 114.58 119.91 1wh8 h GLU 19 Ca 0.20 -0.21 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1wh8 h GLU 19 Cb 0.05 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1wh8 h GLU 19 CO -0.11 0.75 -0.07 0.82 -0.73 0.00 0.00 179.01 179.67 1wh8 h ILE 20 N 0.37 0.81 -0.88 2.32 1.08 -1.28 0.45 117.51 120.39 1wh8 h ILE 20 Ca 0.08 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.61 1wh8 h ILE 20 Cb 0.51 0.81 -0.06 0.00 -3.07 0.00 0.00 36.82 35.01 1wh8 h ILE 20 CO 0.02 0.00 0.56 0.58 -0.69 0.00 0.00 178.15 178.62 1wh8 h VAL 21 N -0.10 1.07 -0.11 1.67 2.07 -0.89 -1.64 116.25 118.31 1wh8 h VAL 21 Ca 0.04 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 1wh8 h VAL 21 Cb 0.16 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1wh8 h VAL 21 CO -0.10 0.19 -0.18 0.00 0.02 0.00 0.00 177.57 177.49 1wh8 h ALA 22 N 1.40 1.49 -0.00 1.67 0.00 -0.11 -2.83 119.26 120.87 1wh8 h ALA 22 Ca 0.37 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1wh8 h ALA 22 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1wh8 h ALA 22 CO -0.16 0.37 -0.10 -1.33 0.00 0.00 0.00 179.25 178.02 1wh8 n MET 23 N -4.24 0.75 -3.89 0.00 2.00 0.06 -4.98 117.12 106.82 1wh8 n MET 23 Ca -0.01 -0.27 -0.23 0.00 0.00 0.00 0.00 57.70 57.19 1wh8 n MET 23 Cb 0.30 -1.49 -0.02 0.00 0.00 0.00 0.00 33.22 32.00 1wh8 n MET 23 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1wh8 s SER 24 N -2.43 6.33 1.11 7.83 0.15 -1.02 -5.07 113.70 120.59 1wh8 s SER 24 Ca 0.30 0.16 -0.18 0.00 0.70 0.00 0.00 55.95 56.93 1wh8 s SER 24 Cb 0.20 -1.90 0.26 0.00 -1.71 0.00 0.00 66.02 62.86 1wh8 s SER 24 CO 0.46 -0.05 1.21 -2.16 1.20 0.00 0.00 173.24 173.91 1wh8 s PRO 25 N -3.72 -0.50 -1.07 5.44 0.04 -1.26 -4.93 135.00 128.99 1wh8 s PRO 25 Ca 0.35 -0.27 -0.22 0.00 0.04 0.00 0.00 61.00 60.90 1wh8 s PRO 25 Cb -0.10 -1.70 0.05 0.00 0.04 0.00 0.00 34.50 32.79 1wh8 s PRO 25 CO 0.29 -3.20 1.54 -2.00 0.04 0.00 0.00 177.00 173.67 1wh8 s GLU 26 N -5.66 3.60 0.32 4.56 2.12 -1.26 -4.98 118.70 117.40 1wh8 s GLU 26 Ca 0.73 -1.24 -0.29 0.00 0.36 0.00 0.00 54.97 54.53 1wh8 s GLU 26 Cb -0.06 -5.38 -0.10 0.00 0.26 0.00 0.00 34.13 28.85 1wh8 s GLU 26 CO 0.55 -2.30 1.23 -0.51 -0.54 0.00 0.00 175.26 173.68 1wh8 s LEU 27 N 5.18 4.46 -0.86 2.70 1.02 -1.26 -4.95 118.68 124.97 1wh8 s LEU 27 Ca 0.49 2.53 -0.25 0.00 0.02 0.00 0.00 54.13 56.92 1wh8 s LEU 27 Cb 0.00 -3.66 -0.00 0.00 0.02 0.00 0.00 46.19 42.55 1wh8 s LEU 27 CO -0.06 -0.40 1.69 -1.81 0.02 0.00 0.00 176.35 175.79 1wh8 s ASP 28 N -0.65 5.70 0.14 2.29 1.01 -1.26 -4.65 116.67 119.25 1wh8 s ASP 28 Ca 0.48 -0.67 -0.23 0.00 0.71 0.00 0.00 52.55 52.84 1wh8 s ASP 28 Cb -0.37 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.00 1wh8 s ASP 28 CO 0.48 -2.19 1.65 0.71 0.21 0.00 0.00 175.17 176.03 1wh8 h THR 29 N 6.88 0.48 0.30 -1.27 1.35 -1.92 0.83 112.91 119.55 1wh8 h THR 29 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1wh8 h THR 29 Cb 1.04 0.48 -0.03 0.00 -1.73 0.00 0.00 68.15 67.90 1wh8 h THR 29 CO 1.28 0.00 -0.51 0.22 -0.25 0.00 0.00 175.52 176.27 1wh8 h TYR 30 N -0.27 -1.44 -1.01 4.73 3.20 -1.87 -1.05 116.97 119.27 1wh8 h TYR 30 Ca 0.10 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1wh8 h TYR 30 Cb 0.41 0.59 -0.05 0.00 1.54 0.00 0.00 36.73 39.22 1wh8 h TYR 30 CO -0.32 -0.62 0.67 1.03 -1.64 0.00 0.00 178.16 177.28 1wh8 h SER 31 N -0.86 1.14 -0.03 -2.11 0.87 -1.92 -1.15 113.55 109.49 1wh8 h SER 31 Ca -0.03 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1wh8 h SER 31 Cb 0.80 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 1wh8 h SER 31 CO -0.17 0.80 -0.05 0.40 -0.53 0.00 0.00 176.83 177.28 1wh8 h ILE 32 N 1.33 0.85 -0.99 2.23 2.04 -0.63 0.18 117.51 122.52 1wh8 h ILE 32 Ca 0.38 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.32 1wh8 h ILE 32 Cb -0.09 0.85 -0.07 0.00 -0.74 0.00 0.00 36.82 36.77 1wh8 h ILE 32 CO -0.10 0.00 0.64 0.71 0.00 0.00 0.00 178.15 179.40 1wh8 h THR 33 N -0.08 1.04 0.85 -0.27 1.35 -0.05 0.18 112.91 115.93 1wh8 h THR 33 Ca 0.03 -0.38 -0.04 0.00 -0.55 0.00 0.00 66.41 65.47 1wh8 h THR 33 Cb 0.12 -0.17 0.01 0.00 -1.73 0.00 0.00 68.15 66.39 1wh8 h THR 33 CO -0.08 0.20 -0.41 0.11 -0.25 0.00 0.00 175.52 175.09 1wh8 h LYS 34 N 1.11 -1.10 -0.90 4.72 1.57 -0.68 -0.81 116.57 120.48 1wh8 h LYS 34 Ca 0.44 0.08 0.13 0.00 -1.87 0.00 0.00 60.65 59.42 1wh8 h LYS 34 Cb 0.26 0.25 -0.07 0.00 0.08 0.00 0.00 32.23 32.75 1wh8 h LYS 34 CO -0.19 -0.73 0.58 -0.09 -0.57 0.00 0.00 179.45 178.44 1wh8 h ARG 35 N -1.25 0.75 0.57 3.15 1.12 -0.20 0.71 114.38 119.23 1wh8 h ARG 35 Ca -0.12 -0.05 -0.03 0.00 -1.11 0.00 0.00 59.98 58.68 1wh8 h ARG 35 Cb 0.88 -0.17 0.01 0.00 -0.01 0.00 0.00 29.97 30.67 1wh8 h ARG 35 CO 0.19 0.50 -0.27 0.28 -3.11 0.00 0.00 179.97 177.56 1wh8 h VAL 36 N 0.78 0.33 -0.95 0.20 2.07 -0.64 -2.76 116.25 115.27 1wh8 h VAL 36 Ca 0.44 -0.32 0.13 0.00 0.82 0.00 0.00 66.70 67.77 1wh8 h VAL 36 Cb 0.60 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 30.72 1wh8 h VAL 36 CO -0.20 0.04 0.61 0.11 0.02 0.00 0.00 177.57 178.14 1wh8 h LYS 37 N -0.99 0.84 0.18 1.57 1.57 -0.14 -0.71 116.57 118.89 1wh8 h LYS 37 Ca -0.08 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1wh8 h LYS 37 Cb 0.65 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1wh8 h LYS 37 CO 0.13 0.56 -0.25 0.93 -0.57 0.00 0.00 179.45 180.24 1wh8 h GLU 38 N 0.87 -0.48 -0.57 3.15 4.39 -0.86 0.51 114.58 121.59 1wh8 h GLU 38 Ca 0.48 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.20 1wh8 h GLU 38 Cb 0.58 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.31 1wh8 h GLU 38 CO -0.24 -0.32 0.34 0.28 -1.16 0.00 0.00 179.01 177.91 1wh8 h VAL 39 N -0.50 1.17 -0.47 3.13 2.07 -1.05 -0.23 116.25 120.37 1wh8 h VAL 39 Ca 0.01 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 1wh8 h VAL 39 Cb 0.49 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1wh8 h VAL 39 CO -0.10 0.18 0.07 -0.07 0.02 0.00 0.00 177.57 177.67 1wh8 h LEU 40 N 0.77 0.75 0.39 2.57 3.38 -0.94 -1.46 115.31 120.78 1wh8 h LEU 40 Ca 0.20 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1wh8 h LEU 40 Cb -0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1wh8 h LEU 40 CO -0.04 0.83 -0.26 0.74 0.09 0.00 0.00 178.44 179.80 1wh8 h THR 41 N 0.65 0.47 -0.66 0.22 2.02 -0.72 0.53 112.91 115.42 1wh8 h THR 41 Ca 0.14 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.40 1wh8 h THR 41 Cb 0.40 0.47 -0.06 0.00 -1.74 0.00 0.00 68.15 67.21 1wh8 h THR 41 CO 0.01 0.00 0.32 0.44 0.37 0.00 0.00 175.52 176.66 1wh8 h ASP 42 N -0.63 0.43 -0.28 4.18 3.32 -0.83 -0.95 116.42 121.66 1wh8 h ASP 42 Ca -0.04 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1wh8 h ASP 42 Cb 0.52 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1wh8 h ASP 42 CO 0.03 0.26 0.00 0.59 -1.72 0.00 0.00 179.24 178.40 1wh8 n ASN 43 N -4.87 1.79 -4.15 6.45 3.02 -0.57 -4.91 115.26 112.02 1wh8 n ASN 43 Ca 0.09 -1.89 -0.34 0.00 -0.03 0.00 0.00 54.58 52.41 1wh8 n ASN 43 Cb 0.23 -0.19 -0.02 0.00 -0.61 0.00 0.00 39.78 39.20 1wh8 n ASN 43 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1wh8 n ASN 44 N 0.45 -3.39 -4.92 6.41 5.15 -0.36 -4.98 115.26 113.61 1wh8 n ASN 44 Ca 0.13 -0.97 -0.27 0.00 -0.60 0.00 0.00 54.58 52.88 1wh8 n ASN 44 Cb 0.31 -2.99 0.07 0.00 -0.53 0.00 0.00 39.78 36.63 1wh8 n ASN 44 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1wh8 s LEU 45 N -7.25 2.83 -0.14 1.20 1.43 0.14 -5.03 118.68 111.85 1wh8 s LEU 45 Ca 0.68 0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 54.25 1wh8 s LEU 45 Cb -0.36 -3.23 -0.05 0.00 0.03 0.00 0.00 46.19 42.59 1wh8 s LEU 45 CO 0.91 -1.56 0.17 -0.83 0.23 0.00 0.00 176.35 175.26 1wh8 s GLY 46 N -4.49 2.14 0.41 -3.19 0.00 -1.26 -4.69 107.32 96.24 1wh8 s GLY 46 Ca 0.59 -0.62 0.07 0.00 0.00 0.00 0.00 44.72 44.77 1wh8 s GLY 46 CO 0.46 -0.10 2.06 1.46 0.00 0.00 0.00 173.10 176.97 1wh8 h GLN 47 N 5.69 0.55 -0.31 2.90 4.20 -1.98 -2.97 115.11 123.19 1wh8 h GLN 47 Ca -0.49 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.22 1wh8 h GLN 47 Cb 1.20 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.80 1wh8 h GLN 47 CO 0.66 0.36 -0.31 -0.09 -0.67 0.00 0.00 178.83 178.78 1wh8 h ARG 48 N 0.56 -0.16 0.16 1.46 2.43 -1.93 0.15 114.38 117.05 1wh8 h ARG 48 Ca 0.15 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1wh8 h ARG 48 Cb -0.06 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1wh8 h ARG 48 CO -0.03 -0.11 -0.15 1.25 -1.51 0.00 0.00 179.97 179.42 1wh8 h LEU 49 N -0.16 -0.41 -0.38 3.80 6.46 -1.92 0.13 115.31 122.82 1wh8 h LEU 49 Ca 0.05 0.04 0.08 0.00 -0.12 0.00 0.00 57.88 57.93 1wh8 h LEU 49 Cb 0.30 0.14 -0.08 0.00 -0.73 0.00 0.00 40.66 40.29 1wh8 h LEU 49 CO -0.38 -0.23 -0.21 0.15 -0.62 0.00 0.00 178.44 177.15 1wh8 h PHE 50 N -0.34 -0.52 0.00 1.25 3.57 -1.45 -0.09 116.94 119.35 1wh8 h PHE 50 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1wh8 h PHE 50 Cb 0.32 0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1wh8 h PHE 50 CO -0.13 -0.28 0.00 0.41 -2.23 0.00 0.00 178.31 176.07 1wh8 n GLY 51 N -1.38 -1.02 0.04 2.40 0.00 0.52 -1.43 105.19 104.31 1wh8 n GLY 51 Ca 0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 1wh8 n GLY 51 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wh8 n GLU 52 N -1.45 0.22 -0.03 1.61 -0.58 -0.04 0.18 120.64 120.55 1wh8 n GLU 52 Ca 0.05 0.27 -0.08 0.00 -0.42 0.00 0.00 57.16 56.98 1wh8 n GLU 52 Cb 0.18 -1.08 0.09 0.00 -0.57 0.00 0.00 31.44 30.06 1wh8 n GLU 52 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1wh8 h SER 53 N -0.45 0.66 0.00 1.62 0.02 -1.16 -2.73 113.55 111.51 1wh8 h SER 53 Ca 0.00 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 1wh8 h SER 53 Cb 0.32 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 1wh8 h SER 53 CO 0.00 0.97 -0.13 0.40 -1.14 0.00 0.00 176.83 176.93 1wh8 h ILE 54 N 0.52 0.17 0.00 3.27 1.08 -1.41 -3.46 117.51 117.68 1wh8 h ILE 54 Ca 0.05 -1.14 0.00 0.00 -0.39 0.00 0.00 64.86 63.38 1wh8 h ILE 54 Cb 0.89 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 1wh8 h ILE 54 CO 0.08 0.06 0.00 0.18 -0.69 0.00 0.00 178.15 177.78 1wh8 n LEU 55 N -4.73 1.26 0.00 1.44 4.77 -1.14 -4.99 117.00 113.61 1wh8 n LEU 55 Ca -0.03 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1wh8 n LEU 55 Cb 0.11 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1wh8 n LEU 55 CO 0.05 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 1wh8 n GLY 56 N 2.34 0.64 3.41 -0.72 0.00 0.13 -4.93 105.19 106.05 1wh8 n GLY 56 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1wh8 n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wh8 s LEU 57 N 0.00 2.39 0.81 0.99 1.43 0.73 -4.95 118.68 120.08 1wh8 s LEU 57 Ca 0.00 -0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 52.28 1wh8 s LEU 57 Cb 0.00 -1.28 0.08 0.00 0.03 0.00 0.00 46.19 45.01 1wh8 s LEU 57 CO 0.00 0.18 1.09 0.42 0.23 0.00 0.00 176.35 178.27 1wh8 s THR 58 N -1.08 3.15 0.35 5.49 -4.23 -1.26 -4.12 115.64 113.94 1wh8 s THR 58 Ca 0.15 0.37 0.08 0.00 -1.18 0.00 0.00 61.69 61.12 1wh8 s THR 58 Cb -0.10 -2.90 0.32 0.00 1.34 0.00 0.00 72.50 71.16 1wh8 s THR 58 CO 0.07 -0.49 1.86 -0.61 -0.54 0.00 0.00 174.62 174.91 1wh8 h GLN 59 N -1.23 0.69 -0.21 3.99 4.15 -1.92 0.11 115.11 120.69 1wh8 h GLN 59 Ca -0.46 -0.04 -0.17 0.00 0.77 0.00 0.00 58.65 58.75 1wh8 h GLN 59 Cb 1.25 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.79 1wh8 h GLN 59 CO 0.53 0.46 -0.52 0.78 -1.93 0.00 0.00 178.83 178.15 1wh8 h GLY 60 N 0.71 0.80 0.80 2.39 0.00 -1.99 -1.35 103.07 104.43 1wh8 h GLY 60 Ca 0.46 -0.99 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 1wh8 h GLY 60 CO -0.22 0.89 -0.08 1.76 0.00 0.00 0.00 176.54 178.89 1wh8 h SER 61 N 0.45 -0.19 0.27 0.19 0.02 -1.64 -2.05 113.55 110.59 1wh8 h SER 61 Ca -0.01 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.72 1wh8 h SER 61 Cb 1.14 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 1wh8 h SER 61 CO 0.11 0.05 -0.30 1.62 -1.14 0.00 0.00 176.83 177.17 1wh8 h VAL 62 N -0.43 1.23 0.40 2.27 3.04 -0.90 -0.97 116.25 120.88 1wh8 h VAL 62 Ca -0.02 -1.08 -0.02 0.00 -1.01 0.00 0.00 66.70 64.56 1wh8 h VAL 62 Cb 0.34 1.54 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 1wh8 h VAL 62 CO 0.04 0.31 -0.19 -1.28 -1.01 0.00 0.00 177.57 175.44 1wh8 h SER 63 N 0.05 -0.46 -0.60 3.17 0.87 -1.13 -0.28 113.55 115.16 1wh8 h SER 63 Ca 0.01 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.61 1wh8 h SER 63 Cb 0.56 0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 1wh8 h SER 63 CO 0.04 -0.33 0.40 -0.78 -0.53 0.00 0.00 176.83 175.63 1wh8 h ASP 64 N -0.54 0.62 0.47 6.23 3.58 -0.67 0.13 116.42 126.24 1wh8 h ASP 64 Ca -0.06 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.36 1wh8 h ASP 64 Cb 0.42 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1wh8 h ASP 64 CO 0.09 0.43 -0.22 0.25 -2.88 0.00 0.00 179.24 176.91 1wh8 h LEU 65 N 0.73 -0.53 -0.85 2.28 5.85 -1.03 -2.22 115.31 119.54 1wh8 h LEU 65 Ca 0.24 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 1wh8 h LEU 65 Cb 0.05 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1wh8 h LEU 65 CO -0.06 -0.25 -0.43 -0.07 -0.34 0.00 0.00 178.44 177.29 1wh8 h LEU 66 N -0.80 0.00 0.42 2.25 3.38 -0.54 -2.37 115.31 117.65 1wh8 h LEU 66 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1wh8 h LEU 66 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1wh8 h LEU 66 CO 0.10 0.43 -0.20 0.28 0.09 0.00 0.00 178.44 179.14 1wh8 h SER 67 N 0.00 -0.48 -2.21 -0.43 0.02 -0.81 -3.42 113.55 106.22 1wh8 h SER 67 Ca -0.00 -0.03 -0.58 0.00 -0.84 0.00 0.00 61.79 60.33 1wh8 h SER 67 Cb 0.96 0.12 -0.40 0.00 0.14 0.00 0.00 62.40 63.23 1wh8 h SER 67 CO 0.06 -0.05 -0.85 0.54 -1.14 0.00 0.00 176.83 175.39 1wh8 n ARG 68 N -5.16 1.43 -1.94 3.45 1.74 -0.83 -5.09 116.66 110.26 1wh8 n ARG 68 Ca -0.08 -3.87 -0.42 0.00 -0.77 0.00 0.00 57.85 52.71 1wh8 n ARG 68 Cb 0.25 -1.75 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 1wh8 n ARG 68 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1wh8 s PRO 69 N -1.56 4.21 0.82 5.56 0.04 -0.89 -4.78 135.00 138.40 1wh8 s PRO 69 Ca 0.36 2.34 -0.12 0.00 0.04 0.00 0.00 61.00 63.62 1wh8 s PRO 69 Cb 0.13 -3.29 0.09 0.00 0.04 0.00 0.00 34.50 31.47 1wh8 s PRO 69 CO -0.09 -0.64 1.16 0.15 0.04 0.00 0.00 177.00 177.62 1wh8 s LYS 70 N 1.59 1.64 0.72 4.56 3.01 -1.26 -4.80 119.74 125.20 1wh8 s LYS 70 Ca 0.71 1.57 -0.16 0.00 -1.01 0.00 0.00 55.97 57.08 1wh8 s LYS 70 Cb -0.42 -1.79 0.00 0.00 -1.01 0.00 0.00 37.83 34.60 1wh8 s LYS 70 CO 0.31 -2.17 0.91 -2.30 0.51 0.00 0.00 175.35 172.61 1wh8 n PRO 71 N -3.55 0.47 -0.24 -1.68 -0.02 -1.26 -4.74 135.00 123.99 1wh8 n PRO 71 Ca 0.12 0.22 0.02 0.00 -2.02 0.00 0.00 63.50 61.83 1wh8 n PRO 71 Cb 0.51 -2.17 0.14 0.00 -0.02 0.00 0.00 33.50 31.97 1wh8 n PRO 71 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1wh8 h TRP 72 N -0.27 0.60 -0.24 6.00 2.91 -1.92 -0.36 115.95 122.66 1wh8 h TRP 72 Ca -0.47 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.56 1wh8 h TRP 72 Cb 1.34 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 29.81 1wh8 h TRP 72 CO 0.39 0.20 0.05 1.12 -1.03 0.00 0.00 178.44 179.17 1wh8 h HIS 73 N 0.57 0.34 0.00 2.65 2.07 -1.94 -2.30 115.15 116.54 1wh8 h HIS 73 Ca 0.35 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.86 1wh8 h HIS 73 Cb 0.40 -0.11 0.00 0.00 2.57 0.00 0.00 27.41 30.27 1wh8 h HIS 73 CO -0.12 0.32 0.00 1.63 -3.07 0.00 0.00 177.93 176.69 1wh8 n LYS 74 N -4.39 0.14 -4.12 5.12 4.76 -0.17 -4.66 118.16 114.83 1wh8 n LYS 74 Ca 0.01 0.09 -0.34 0.00 -2.87 0.00 0.00 58.31 55.20 1wh8 n LYS 74 Cb 0.16 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.75 1wh8 n LYS 74 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1wh8 s LEU 75 N -2.82 3.67 0.00 -0.35 1.43 -0.87 -4.92 118.68 114.82 1wh8 s LEU 75 Ca 0.16 0.03 -0.15 0.00 -1.03 0.00 0.00 54.13 53.13 1wh8 s LEU 75 Cb 0.15 -1.91 0.22 0.00 0.03 0.00 0.00 46.19 44.68 1wh8 s LEU 75 CO 0.39 0.18 0.94 -1.20 0.23 0.00 0.00 176.35 176.89 1wh8 n SER 76 N 3.48 -1.23 -0.11 2.29 7.64 -1.26 -4.67 113.62 119.75 1wh8 n SER 76 Ca -0.17 -1.15 -0.09 0.00 1.01 0.00 0.00 58.87 58.47 1wh8 n SER 76 Cb 0.52 -0.81 -0.04 0.00 -1.01 0.00 0.00 64.21 62.88 1wh8 n SER 76 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1wh8 h LEU 77 N 0.00 -1.31 -1.78 -3.43 3.38 -1.96 0.22 115.31 110.43 1wh8 h LEU 77 Ca -0.33 0.21 0.16 0.00 0.09 0.00 0.00 57.88 58.00 1wh8 h LEU 77 Cb 0.99 0.58 -0.04 0.00 0.09 0.00 0.00 40.66 42.28 1wh8 h LEU 77 CO 0.22 -0.36 0.46 0.07 0.09 0.00 0.00 178.44 178.92 1wh8 h LYS 78 N -0.32 0.21 -0.49 1.13 -0.00 -1.96 0.42 116.57 115.57 1wh8 h LYS 78 Ca 0.14 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.65 60.72 1wh8 h LYS 78 Cb 0.58 -0.05 -0.02 0.00 -0.00 0.00 0.00 32.23 32.74 1wh8 h LYS 78 CO -0.55 0.14 0.06 0.78 -0.00 0.00 0.00 179.45 179.89 1wh8 h GLY 79 N 0.22 0.89 1.56 0.07 0.00 -1.00 -3.31 103.07 101.49 1wh8 h GLY 79 Ca 0.32 -0.60 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 1wh8 h GLY 79 CO -0.06 0.56 -0.84 3.21 0.00 0.00 0.00 176.54 179.41 1wh8 h ARG 80 N 0.69 0.00 -0.70 4.80 3.08 0.59 -3.39 114.38 119.45 1wh8 h ARG 80 Ca 0.15 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.26 1wh8 h ARG 80 Cb 0.42 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.39 1wh8 h ARG 80 CO 0.01 0.36 -0.41 -1.91 -1.07 0.00 0.00 179.97 176.95 1wh8 n GLU 81 N -3.05 -0.31 -0.12 0.04 2.13 -0.00 -1.28 120.64 118.04 1wh8 n GLU 81 Ca -0.02 1.10 -0.12 0.00 0.66 0.00 0.00 57.16 58.78 1wh8 n GLU 81 Cb 0.75 -1.62 -0.03 0.00 0.27 0.00 0.00 31.44 30.81 1wh8 n GLU 81 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1wh8 h PRO 82 N 0.00 0.68 0.00 5.31 0.13 -1.82 -2.66 132.00 133.64 1wh8 h PRO 82 Ca 0.11 -0.27 -0.05 0.00 -0.87 0.00 0.00 66.00 64.93 1wh8 h PRO 82 Cb 0.29 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.38 1wh8 h PRO 82 CO -0.66 0.86 -0.22 0.74 -0.23 0.00 0.00 178.00 178.49 1wh8 h PHE 83 N 0.46 0.00 -0.13 1.56 -1.00 -1.46 0.56 116.94 116.93 1wh8 h PHE 83 Ca 0.08 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.83 1wh8 h PHE 83 Cb 0.62 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.18 1wh8 h PHE 83 CO 0.05 0.22 -0.06 0.28 -1.61 0.00 0.00 178.31 177.19 1wh8 h VAL 84 N 0.00 1.32 -0.72 -0.55 2.07 -1.07 -1.94 116.25 115.35 1wh8 h VAL 84 Ca -0.00 -1.09 0.07 0.00 0.82 0.00 0.00 66.70 66.50 1wh8 h VAL 84 Cb 0.40 1.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.88 1wh8 h VAL 84 CO 0.03 0.32 0.39 0.03 0.02 0.00 0.00 177.57 178.36 1wh8 h ARG 85 N -0.08 0.68 -0.22 1.57 3.08 -0.92 -1.64 114.38 116.85 1wh8 h ARG 85 Ca 0.03 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.08 1wh8 h ARG 85 Cb 0.52 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.38 1wh8 h ARG 85 CO 0.02 0.45 -0.03 0.52 -1.07 0.00 0.00 179.97 179.86 1wh8 h MET 86 N 0.70 0.03 0.17 0.04 2.86 -0.88 1.00 114.93 118.85 1wh8 h MET 86 Ca 0.33 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.98 1wh8 h MET 86 Cb 0.26 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 1wh8 h MET 86 CO -0.22 0.02 -0.27 0.37 1.06 0.00 0.00 176.91 177.87 1wh8 h GLN 87 N 0.03 -0.50 0.00 1.72 5.75 -0.70 -0.27 115.11 121.15 1wh8 h GLN 87 Ca 0.11 0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.59 1wh8 h GLN 87 Cb 0.15 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 1wh8 h GLN 87 CO -0.21 -0.33 -0.26 -0.07 -2.65 0.00 0.00 178.83 175.31 1wh8 h LEU 88 N -0.51 0.00 -0.08 -2.39 -0.00 -1.10 -1.34 115.31 109.89 1wh8 h LEU 88 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.88 1wh8 h LEU 88 Cb 0.52 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.18 1wh8 h LEU 88 CO -0.13 0.26 -0.01 -0.25 -0.00 0.00 0.00 178.44 178.32 1wh8 h TRP 89 N 0.00 0.16 -0.47 1.13 7.01 -0.49 -2.84 115.95 120.44 1wh8 h TRP 89 Ca -0.00 -0.03 0.11 0.00 2.11 0.00 0.00 58.89 61.08 1wh8 h TRP 89 Cb 0.53 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.53 1wh8 h TRP 89 CO 0.00 0.44 0.33 -0.07 -2.79 0.00 0.00 178.44 176.34 1wh8 h LEU 90 N -0.17 0.13 -0.24 0.65 3.38 -0.42 -1.44 115.31 117.19 1wh8 h LEU 90 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1wh8 h LEU 90 Cb 0.38 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1wh8 h LEU 90 CO 0.01 0.08 0.00 -3.20 0.09 0.00 0.00 178.44 175.41 1wh8 n ASN 91 N -4.44 0.36 -4.41 -0.43 5.15 -0.56 -4.87 115.26 106.05 1wh8 n ASN 91 Ca 0.08 -1.66 -0.34 0.00 -0.60 0.00 0.00 54.58 52.06 1wh8 n ASN 91 Cb 0.44 -0.03 -0.13 0.00 -0.53 0.00 0.00 39.78 39.53 1wh8 n ASN 91 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1wh8 s ASP 92 N -1.37 4.38 0.31 1.20 2.15 -0.54 -5.03 116.67 117.76 1wh8 s ASP 92 Ca 0.20 -0.25 0.02 0.00 0.43 0.00 0.00 52.55 52.95 1wh8 s ASP 92 Cb 0.10 -1.70 0.50 0.00 -0.30 0.00 0.00 42.92 41.52 1wh8 s ASP 92 CO 0.16 0.14 1.83 1.55 -0.17 0.00 0.00 175.17 178.68 1wh8 h PRO 93 N 6.90 0.64 -0.62 4.34 0.13 -1.89 -1.60 132.00 139.89 1wh8 h PRO 93 Ca -0.30 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1wh8 h PRO 93 Cb 1.20 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1wh8 h PRO 93 CO 0.59 0.65 0.00 0.72 -0.23 0.00 0.00 178.00 179.73 1wh8 n HIS 94 N -4.26 1.90 0.08 1.56 8.25 -1.26 -4.76 115.22 116.74 1wh8 n HIS 94 Ca 0.02 -0.66 -0.15 0.00 -0.26 0.00 0.00 57.72 56.68 1wh8 n HIS 94 Cb 0.26 -0.48 -0.08 0.00 1.12 0.00 0.00 29.99 30.81 1wh8 n HIS 94 CO 0.00 0.00 0.00 -2.95 0.64 0.00 0.00 176.34 174.03 1wh8 h ASN 95 N 3.63 -1.41 -0.33 0.41 7.08 -1.55 0.24 115.58 123.66 1wh8 h ASN 95 Ca 0.00 0.16 -0.09 0.00 -3.08 0.00 0.00 56.30 53.29 1wh8 h ASN 95 Cb 1.85 0.54 -0.01 0.00 -2.08 0.00 0.00 38.32 38.62 1wh8 h ASN 95 CO 0.45 -0.50 -0.14 0.58 -2.08 0.00 0.00 177.43 175.74 1wh8 h VAL 96 N -0.65 1.29 -0.47 6.14 2.07 -1.85 -1.37 116.25 121.40 1wh8 h VAL 96 Ca 0.02 -1.23 0.10 0.00 0.82 0.00 0.00 66.70 66.40 1wh8 h VAL 96 Cb 0.70 1.40 -0.09 0.00 -1.52 0.00 0.00 31.29 31.77 1wh8 h VAL 96 CO -0.30 0.40 -0.14 -0.33 0.02 0.00 0.00 177.57 177.22 1wh8 h GLU 97 N 0.44 -0.02 0.08 1.57 4.39 -1.76 0.21 114.58 119.49 1wh8 h GLU 97 Ca 0.08 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.52 1wh8 h GLU 97 Cb 0.66 0.01 0.02 0.00 -0.10 0.00 0.00 28.75 29.34 1wh8 h GLU 97 CO 0.04 -0.02 -1.04 -0.22 -1.16 0.00 0.00 179.01 176.61 1wh8 h LYS 98 N -0.03 0.57 -0.87 2.33 3.64 -0.58 -2.61 116.57 119.03 1wh8 h LYS 98 Ca 0.23 -0.72 0.12 0.00 -1.27 0.00 0.00 60.65 59.01 1wh8 h LYS 98 Cb 0.37 0.23 -0.08 0.00 -0.41 0.00 0.00 32.23 32.34 1wh8 h LYS 98 CO -0.50 1.31 0.49 1.25 -2.27 0.00 0.00 179.45 179.73 1wh8 h LEU 99 N 0.16 0.68 -0.86 5.20 5.85 -0.79 -0.18 115.31 125.37 1wh8 h LEU 99 Ca -0.15 0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.52 1wh8 h LEU 99 Cb 1.74 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 1wh8 h LEU 99 CO 0.20 0.35 -0.38 0.03 -0.34 0.00 0.00 178.44 178.29 1wh8 h ARG 100 N 0.77 0.37 0.00 1.25 3.08 -0.59 -2.94 114.38 116.32 1wh8 h ARG 100 Ca 0.44 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 60.27 1wh8 h ARG 100 Cb 0.50 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1wh8 h ARG 100 CO -0.29 0.70 -0.25 0.22 -1.07 0.00 0.00 179.97 179.28 1wh8 h ASP 101 N 0.31 0.00 -0.75 7.04 3.58 -0.66 -1.31 116.42 124.63 1wh8 h ASP 101 Ca 0.03 0.00 0.15 0.00 0.42 0.00 0.00 57.03 57.64 1wh8 h ASP 101 Cb 0.82 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.76 1wh8 h ASP 101 CO 0.07 0.25 0.25 0.24 -2.88 0.00 0.00 179.24 177.17 1wh8 h MET 102 N 0.00 0.35 0.00 0.28 2.86 -1.13 -0.71 114.93 116.58 1wh8 h MET 102 Ca -0.00 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1wh8 h MET 102 Cb 0.44 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 1wh8 h MET 102 CO 0.03 0.23 -0.04 -0.22 1.06 0.00 0.00 176.91 177.98 1wh8 h LYS 103 N 0.36 0.00 0.00 1.72 3.64 -1.31 -1.01 116.57 119.97 1wh8 h LYS 103 Ca 0.42 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1wh8 h LYS 103 Cb 0.68 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1wh8 h LYS 103 CO -0.45 0.04 -0.00 -0.22 -2.27 0.00 0.00 179.45 176.54 1wh8 h LYS 104 N 0.00 -0.01 -2.73 1.90 3.64 -1.46 -3.40 116.57 114.51 1wh8 h LYS 104 Ca -0.00 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 1wh8 h LYS 104 Cb 0.11 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1wh8 h LYS 104 CO 0.00 -0.00 0.98 1.28 -2.27 0.00 0.00 179.45 179.44 1wh8 n LEU 105 N -2.41 4.10 0.00 5.20 4.77 -0.34 -2.78 117.00 125.53 1wh8 n LEU 105 Ca -0.00 -2.52 0.00 0.00 -0.03 0.00 0.00 56.01 53.46 1wh8 n LEU 105 Cb 0.00 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 1wh8 n LEU 105 CO 0.00 0.87 -0.03 -0.24 -1.33 0.00 0.00 177.39 176.66 1wh8 n SER 106 N 3.20 0.07 0.00 -1.43 2.88 -0.78 -4.76 113.62 112.80 1wh8 n SER 106 Ca 0.35 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1wh8 n SER 106 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1wh8 n SER 106 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh8 n GLY 107 N 1.59 0.73 3.00 0.46 0.00 -1.12 -5.05 105.19 104.81 1wh8 n GLY 107 Ca 0.00 -1.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 1wh8 n GLY 107 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wh8 n PRO 108 N -1.52 1.63 0.02 1.61 -0.04 -1.26 -4.54 135.00 130.90 1wh8 n PRO 108 Ca 0.00 -1.79 -0.08 0.00 -0.04 0.00 0.00 63.50 61.59 1wh8 n PRO 108 Cb 0.00 -2.84 -0.06 0.00 -0.04 0.00 0.00 33.50 30.56 1wh8 n PRO 108 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wh8 h SER 109 N 7.57 -0.14 0.00 3.54 0.87 -1.89 -3.48 113.55 120.01 1wh8 h SER 109 Ca 0.44 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1wh8 h SER 109 Cb 0.57 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1wh8 h SER 109 CO 1.87 0.46 0.00 -0.24 -0.53 0.00 0.00 176.83 178.38 1wh8 n SER 110 N -4.86 0.00 -0.37 6.23 2.88 -1.26 -5.17 113.62 111.08 1wh8 n SER 110 Ca -0.06 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.62 1wh8 n SER 110 Cb 0.23 0.00 0.63 0.00 -0.75 0.00 0.00 64.21 64.31 1wh8 n SER 110 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42