#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh4 n SER 2 N 0.00 -2.46 -2.90 1.61 2.88 -1.26 -5.13 113.62 106.38 1wh4 n SER 2 Ca 0.00 -0.83 -0.09 0.00 -1.33 0.00 0.00 58.87 56.62 1wh4 n SER 2 Cb 0.00 -0.70 -0.00 0.00 -0.75 0.00 0.00 64.21 62.76 1wh4 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wh4 n SER 3 N -4.57 1.72 -3.63 -3.46 2.88 -1.26 -5.18 113.62 100.12 1wh4 n SER 3 Ca 0.10 -1.62 -0.10 0.00 -1.33 0.00 0.00 58.87 55.92 1wh4 n SER 3 Cb 0.41 0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.86 1wh4 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wh4 s GLY 4 N -2.29 -0.29 0.06 0.46 0.00 -1.26 -5.05 107.32 98.95 1wh4 s GLY 4 Ca 0.08 0.03 -0.18 0.00 0.00 0.00 0.00 44.72 44.65 1wh4 s GLY 4 CO 0.05 -0.10 1.36 0.23 0.00 0.00 0.00 173.10 174.64 1wh4 h SER 5 N 2.12 0.55 -6.40 1.64 0.87 -2.08 -3.49 113.55 106.76 1wh4 h SER 5 Ca -0.30 -0.50 -0.30 0.00 -1.23 0.00 0.00 61.79 59.46 1wh4 h SER 5 Cb 1.28 -0.15 0.02 0.00 -0.44 0.00 0.00 62.40 63.10 1wh4 h SER 5 CO 0.37 0.93 -1.13 -1.20 -0.53 0.00 0.00 176.83 175.27 1wh4 n SER 6 N -4.41 -5.88 -4.64 6.23 7.64 -1.26 -4.83 113.62 106.47 1wh4 n SER 6 Ca -0.05 -0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.38 1wh4 n SER 6 Cb 0.43 -2.02 -0.02 0.00 -1.01 0.00 0.00 64.21 61.59 1wh4 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh4 n GLY 7 N 0.01 0.26 3.73 0.23 0.00 -1.26 -4.87 105.19 103.29 1wh4 n GLY 7 Ca -0.06 0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 1wh4 n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1wh4 n MET 8 N 1.19 2.67 0.11 1.61 0.00 -1.26 -4.92 117.12 116.52 1wh4 n MET 8 Ca 0.10 0.95 0.02 0.00 -0.00 0.00 0.00 57.70 58.77 1wh4 n MET 8 Cb 0.32 -2.75 0.36 0.00 0.00 0.00 0.00 33.22 31.14 1wh4 n MET 8 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 175.97 175.00 1wh4 h ASN 9 N 5.55 0.24 -4.91 6.12 -1.24 -2.02 -3.48 115.58 115.83 1wh4 h ASN 9 Ca -0.45 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 56.50 1wh4 h ASN 9 Cb 1.22 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 40.20 1wh4 h ASN 9 CO 0.86 0.42 -0.16 0.29 -1.29 0.00 0.00 177.43 177.55 1wh4 n LYS 10 N -4.24 -1.13 0.00 6.67 5.02 -1.26 -5.04 118.16 118.19 1wh4 n LYS 10 Ca -0.01 0.93 0.00 0.00 -2.02 0.00 0.00 58.31 57.21 1wh4 n LYS 10 Cb 0.30 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 1wh4 n LYS 10 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1wh4 n PRO 11 N 2.17 1.20 -1.58 1.97 -0.04 -1.26 -4.87 135.00 132.59 1wh4 n PRO 11 Ca -0.02 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 62.97 1wh4 n PRO 11 Cb 0.04 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.45 1wh4 n PRO 11 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1wh4 n LEU 12 N 0.00 3.02 -4.74 1.53 7.99 -1.26 -4.94 117.00 118.61 1wh4 n LEU 12 Ca 0.00 0.49 -0.34 0.00 -0.01 0.00 0.00 56.01 56.15 1wh4 n LEU 12 Cb 0.00 -1.42 0.08 0.00 -0.11 0.00 0.00 43.42 41.97 1wh4 n LEU 12 CO 0.00 -0.50 0.77 0.42 -1.51 0.00 0.00 177.39 176.58 1wh4 s THR 13 N 6.80 2.61 -0.15 -5.08 -4.23 -1.26 -4.78 115.64 109.55 1wh4 s THR 13 Ca 1.01 0.29 0.28 0.00 -1.18 0.00 0.00 61.69 62.09 1wh4 s THR 13 Cb -0.58 -2.82 0.30 0.00 1.34 0.00 0.00 72.50 70.74 1wh4 s THR 13 CO 0.44 -0.17 1.84 1.55 -0.54 0.00 0.00 174.62 177.74 1wh4 h PRO 14 N -0.26 0.00 0.00 3.99 0.13 -1.92 -0.98 132.00 132.96 1wh4 h PRO 14 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wh4 h PRO 14 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1wh4 h PRO 14 CO 0.51 0.00 -0.04 0.77 -0.23 0.00 0.00 178.00 179.00 1wh4 h SER 15 N 0.00 0.00 -3.73 1.44 0.02 -1.95 0.18 113.55 109.51 1wh4 h SER 15 Ca 0.00 -0.01 -0.53 0.00 -0.84 0.00 0.00 61.79 60.41 1wh4 h SER 15 Cb 0.28 0.00 0.09 0.00 0.14 0.00 0.00 62.40 62.91 1wh4 h SER 15 CO 0.00 0.00 0.78 -0.89 -1.14 0.00 0.00 176.83 175.58 1wh4 s THR 16 N -3.15 2.22 0.78 -2.27 2.01 -0.37 -4.75 115.64 110.11 1wh4 s THR 16 Ca 0.09 0.21 -0.11 0.00 0.31 0.00 0.00 61.69 62.19 1wh4 s THR 16 Cb 0.09 -3.13 0.06 0.00 0.01 0.00 0.00 72.50 69.53 1wh4 s THR 16 CO 0.63 0.04 1.08 -0.31 -0.69 0.00 0.00 174.62 175.38 1wh4 s TYR 17 N -0.74 2.71 0.07 4.92 1.51 -1.26 0.18 117.35 124.74 1wh4 s TYR 17 Ca 0.55 1.38 -0.27 0.00 -1.01 0.00 0.00 57.07 57.73 1wh4 s TYR 17 Cb -0.45 -3.04 -0.17 0.00 -0.11 0.00 0.00 41.96 38.19 1wh4 s TYR 17 CO 0.56 -1.77 1.61 0.82 -1.11 0.00 0.00 175.55 175.66 1wh4 h ILE 18 N -1.10 0.78 0.00 2.71 1.08 -1.82 -2.89 117.51 116.27 1wh4 h ILE 18 Ca -0.45 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 63.86 1wh4 h ILE 18 Cb 1.24 0.87 0.00 0.00 -3.07 0.00 0.00 36.82 35.86 1wh4 h ILE 18 CO 0.55 0.03 0.00 -2.11 -0.69 0.00 0.00 178.15 175.94 1wh4 n ARG 19 N -5.20 0.00 0.00 2.37 1.85 -1.26 -0.77 116.66 113.65 1wh4 n ARG 19 Ca -0.10 0.29 -0.08 0.00 -1.00 0.00 0.00 57.85 56.96 1wh4 n ARG 19 Cb 0.18 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 29.95 1wh4 n ARG 19 CO 0.00 0.00 0.00 -0.97 -0.01 0.00 0.00 177.63 176.65 1wh4 h ASN 20 N 0.00 0.00 -3.86 2.89 -0.73 -1.88 -3.49 115.58 108.51 1wh4 h ASN 20 Ca 0.00 -0.01 -0.51 0.00 1.87 0.00 0.00 56.30 57.66 1wh4 h ASN 20 Cb 0.01 -0.00 0.04 0.00 0.27 0.00 0.00 38.32 38.63 1wh4 h ASN 20 CO 0.00 1.01 0.52 -0.76 -0.37 0.00 0.00 177.43 177.82 1wh4 s LEU 21 N -6.29 4.42 0.58 0.34 1.43 0.05 -4.98 118.68 114.22 1wh4 s LEU 21 Ca -0.03 2.37 -0.18 0.00 -1.03 0.00 0.00 54.13 55.27 1wh4 s LEU 21 Cb 0.09 -3.76 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 1wh4 s LEU 21 CO 0.82 -0.38 1.10 0.21 0.23 0.00 0.00 176.35 178.33 1wh4 s ASN 22 N -0.89 5.65 0.58 2.29 2.47 -1.26 -4.83 114.94 118.95 1wh4 s ASN 22 Ca 0.49 2.02 0.29 0.00 0.42 0.00 0.00 52.86 56.08 1wh4 s ASN 22 Cb -0.33 -2.56 1.75 0.00 -1.45 0.00 0.00 41.25 38.66 1wh4 s ASN 22 CO 0.42 -1.26 2.22 1.62 -3.72 0.00 0.00 177.10 176.38 1wh4 h VAL 23 N 0.77 0.54 -0.46 -5.21 3.04 -1.98 -0.04 116.25 112.91 1wh4 h VAL 23 Ca -0.48 -0.10 -0.04 0.00 -1.01 0.00 0.00 66.70 65.06 1wh4 h VAL 23 Cb 1.24 1.07 -0.02 0.00 -2.01 0.00 0.00 31.29 31.57 1wh4 h VAL 23 CO 0.56 0.02 0.14 1.23 -1.01 0.00 0.00 177.57 178.51 1wh4 h GLY 24 N 0.16 0.77 1.31 3.17 0.00 -1.99 0.37 103.07 106.85 1wh4 h GLY 24 Ca -0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1wh4 h GLY 24 CO 0.00 0.43 0.20 -2.22 0.00 0.00 0.00 176.54 174.96 1wh4 h ILE 25 N 0.60 1.22 -0.13 2.60 1.08 -1.41 -0.52 117.51 120.95 1wh4 h ILE 25 Ca 0.15 -0.73 -0.01 0.00 -0.39 0.00 0.00 64.86 63.88 1wh4 h ILE 25 Cb 0.28 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 34.57 1wh4 h ILE 25 CO -0.00 0.28 0.06 -0.07 -0.69 0.00 0.00 178.15 177.73 1wh4 h LEU 26 N 0.86 0.17 -0.58 1.44 3.38 -0.88 -0.37 115.31 119.33 1wh4 h LEU 26 Ca 0.20 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1wh4 h LEU 26 Cb 0.22 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1wh4 h LEU 26 CO -0.01 0.26 0.34 0.03 0.09 0.00 0.00 178.44 179.15 1wh4 h ARG 27 N 0.07 0.79 0.03 1.13 3.08 -0.56 -0.42 114.38 118.49 1wh4 h ARG 27 Ca 0.04 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.05 1wh4 h ARG 27 Cb 0.14 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 1wh4 h ARG 27 CO -0.00 0.57 -0.29 0.87 -1.07 0.00 0.00 179.97 180.05 1wh4 h LYS 28 N 0.78 -0.44 -0.32 0.04 1.57 -0.97 -1.84 116.57 115.39 1wh4 h LYS 28 Ca 0.21 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.08 1wh4 h LYS 28 Cb -0.01 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.32 1wh4 h LYS 28 CO -0.04 -0.29 -0.40 -0.07 -0.57 0.00 0.00 179.45 178.08 1wh4 h LEU 29 N -0.45 -1.32 -2.52 2.94 -0.00 -0.73 -2.13 115.31 111.09 1wh4 h LEU 29 Ca 0.05 0.20 -0.00 0.00 -0.00 0.00 0.00 57.88 58.13 1wh4 h LEU 29 Cb 0.53 0.57 -0.00 0.00 -0.00 0.00 0.00 40.66 41.76 1wh4 h LEU 29 CO -0.23 -0.38 -0.02 0.77 -0.00 0.00 0.00 178.44 178.58 1wh4 h SER 30 N -0.36 0.00 0.22 -0.43 4.64 -0.77 -0.77 113.55 116.08 1wh4 h SER 30 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1wh4 h SER 30 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1wh4 h SER 30 CO -0.51 0.02 0.00 -0.78 -0.87 0.00 0.00 176.83 174.69 1wh4 h ASP 31 N 0.00 0.00 0.00 4.97 3.58 -0.63 -1.34 116.42 123.00 1wh4 h ASP 31 Ca -0.00 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.29 1wh4 h ASP 31 Cb 0.09 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 1wh4 h ASP 31 CO 0.00 0.00 -1.77 0.49 -2.88 0.00 0.00 179.24 175.09 1wh4 n PHE 32 N -3.05 0.00 -0.11 0.28 3.72 -0.37 -4.83 117.46 113.10 1wh4 n PHE 32 Ca -0.02 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.24 1wh4 n PHE 32 Cb 0.12 -0.51 -0.14 0.00 -0.94 0.00 0.00 39.48 38.01 1wh4 n PHE 32 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1wh4 n ILE 33 N -2.31 1.43 0.05 4.37 2.08 -0.77 -4.50 119.36 119.71 1wh4 n ILE 33 Ca -0.15 -0.70 -0.13 0.00 0.56 0.00 0.00 62.75 62.34 1wh4 n ILE 33 Cb 0.73 -0.97 -0.08 0.00 -0.75 0.00 0.00 39.64 38.58 1wh4 n ILE 33 CO 0.00 0.00 0.00 -0.78 0.56 0.00 0.00 176.55 176.33 1wh4 h ASP 34 N 0.00 -0.06 -3.97 4.38 3.58 -1.51 -1.06 116.42 117.77 1wh4 h ASP 34 Ca -0.56 -0.18 -0.46 0.00 0.42 0.00 0.00 57.03 56.25 1wh4 h ASP 34 Cb 2.06 0.02 0.15 0.00 1.72 0.00 0.00 39.33 43.27 1wh4 h ASP 34 CO -0.03 0.14 0.22 -2.16 -2.88 0.00 0.00 179.24 174.53 1wh4 s PRO 35 N -5.40 0.69 -2.17 0.28 0.04 -1.26 -3.99 135.00 123.19 1wh4 s PRO 35 Ca -0.14 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1wh4 s PRO 35 Cb 0.04 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1wh4 s PRO 35 CO 0.65 -2.55 0.00 1.04 0.04 0.00 0.00 177.00 176.18 1wh4 n GLN 36 N -4.05 -1.49 -2.28 4.56 6.02 -1.26 -3.01 117.38 115.87 1wh4 n GLN 36 Ca 0.06 1.21 -0.10 0.00 -0.01 0.00 0.00 57.00 58.15 1wh4 n GLN 36 Cb 0.57 -5.63 -0.01 0.00 1.02 0.00 0.00 30.24 26.19 1wh4 n GLN 36 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1wh4 n GLU 37 N -2.47 -2.20 -0.09 -1.09 1.02 -1.26 -4.86 120.64 109.70 1wh4 n GLU 37 Ca -0.21 0.50 0.04 0.00 -0.02 0.00 0.00 57.16 57.47 1wh4 n GLU 37 Cb 0.69 -5.02 0.37 0.00 -0.02 0.00 0.00 31.44 27.46 1wh4 n GLU 37 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1wh4 h GLY 38 N 0.00 0.76 0.73 0.62 0.00 -1.29 -1.37 103.07 102.53 1wh4 h GLY 38 Ca -0.23 -0.27 0.03 0.00 0.00 0.00 0.00 47.33 46.86 1wh4 h GLY 38 CO 0.28 0.25 0.10 0.11 0.00 0.00 0.00 176.54 177.29 1wh4 h TRP 39 N 0.70 0.19 -0.47 5.60 5.08 -1.51 0.39 115.95 125.93 1wh4 h TRP 39 Ca 0.22 0.02 0.05 0.00 1.08 0.00 0.00 58.89 60.25 1wh4 h TRP 39 Cb 0.00 -0.04 -0.05 0.00 -3.00 0.00 0.00 29.16 26.08 1wh4 h TRP 39 CO -0.00 0.08 0.20 0.87 -1.28 0.00 0.00 178.44 178.31 1wh4 h LYS 40 N 0.24 0.40 -0.17 0.12 1.57 -1.59 -0.25 116.57 116.88 1wh4 h LYS 40 Ca 0.14 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1wh4 h LYS 40 Cb 0.11 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1wh4 h LYS 40 CO -0.15 0.26 0.02 0.87 -0.57 0.00 0.00 179.45 179.88 1wh4 h LYS 41 N 0.41 0.29 0.21 3.15 1.57 -0.75 -0.41 116.57 121.03 1wh4 h LYS 41 Ca 0.21 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1wh4 h LYS 41 Cb 0.16 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1wh4 h LYS 41 CO -0.18 0.47 -0.24 1.25 -0.57 0.00 0.00 179.45 180.19 1wh4 h LEU 42 N 0.06 -0.65 -0.23 2.94 7.12 -0.75 -0.37 115.31 123.43 1wh4 h LEU 42 Ca 0.05 0.06 0.05 0.00 0.13 0.00 0.00 57.88 58.18 1wh4 h LEU 42 Cb 0.33 0.23 -0.07 0.00 -0.53 0.00 0.00 40.66 40.62 1wh4 h LEU 42 CO 0.01 -0.34 -0.42 0.00 -0.13 0.00 0.00 178.44 177.55 1wh4 h ALA 43 N 0.21 -0.53 0.00 1.25 0.00 -0.81 -0.97 119.26 118.42 1wh4 h ALA 43 Ca 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1wh4 h ALA 43 Cb 0.47 0.82 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1wh4 h ALA 43 CO -0.08 -0.90 -0.25 -0.39 0.00 0.00 0.00 179.25 177.64 1wh4 h VAL 44 N -0.43 1.02 -0.01 0.00 -1.51 -0.96 -2.47 116.25 111.89 1wh4 h VAL 44 Ca 0.10 -0.90 -0.14 0.00 -1.23 0.00 0.00 66.70 64.53 1wh4 h VAL 44 Cb 0.61 1.51 -0.02 0.00 -2.13 0.00 0.00 31.29 31.26 1wh4 h VAL 44 CO -0.46 0.24 -0.63 0.00 -1.23 0.00 0.00 177.57 175.49 1wh4 h ALA 45 N 1.75 0.94 -0.75 5.19 0.00 -0.28 -3.38 119.26 122.72 1wh4 h ALA 45 Ca -0.00 -0.57 -0.42 0.00 0.00 0.00 0.00 54.91 53.92 1wh4 h ALA 45 Cb 0.49 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1wh4 h ALA 45 CO 0.03 0.77 1.20 0.42 0.00 0.00 0.00 179.25 181.68 1wh4 s ILE 46 N -3.62 3.67 0.91 0.00 1.01 -0.44 -4.96 121.20 117.78 1wh4 s ILE 46 Ca -0.02 -0.83 -0.12 0.00 0.00 0.00 0.00 60.65 59.68 1wh4 s ILE 46 Cb 0.12 -4.56 0.14 0.00 0.01 0.00 0.00 42.46 38.17 1wh4 s ILE 46 CO 0.77 -1.33 1.13 -0.54 0.00 0.00 0.00 174.94 174.97 1wh4 s LYS 47 N 6.03 1.16 0.72 2.79 3.01 -1.26 -2.16 119.74 130.02 1wh4 s LYS 47 Ca 0.62 0.37 -0.11 0.00 -1.01 0.00 0.00 55.97 55.84 1wh4 s LYS 47 Cb -0.02 -1.83 0.02 0.00 -1.01 0.00 0.00 37.83 34.99 1wh4 s LYS 47 CO 0.02 -2.20 1.09 0.15 0.51 0.00 0.00 175.35 174.92 1wh4 s LYS 48 N -5.21 2.73 0.54 1.68 1.02 0.13 -4.56 119.74 116.06 1wh4 s LYS 48 Ca 0.64 0.57 0.23 0.00 0.02 0.00 0.00 55.97 57.43 1wh4 s LYS 48 Cb -0.15 -2.00 1.48 0.00 -0.52 0.00 0.00 37.83 36.64 1wh4 s LYS 48 CO 0.54 -1.15 2.15 -1.35 -0.92 0.00 0.00 175.35 174.62 1wh4 h PRO 49 N -0.74 0.00 -0.58 -1.68 0.11 -1.98 0.06 132.00 127.18 1wh4 h PRO 49 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1wh4 h PRO 49 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1wh4 h PRO 49 CO 0.62 0.05 0.00 0.45 -0.21 0.00 0.00 178.00 178.91 1wh4 n SER 50 N -4.07 3.24 0.00 -2.05 2.88 -1.26 -4.97 113.62 107.38 1wh4 n SER 50 Ca -0.03 -2.13 0.00 0.00 -1.33 0.00 0.00 58.87 55.38 1wh4 n SER 50 Cb 0.14 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 1wh4 n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh4 n GLY 51 N 1.20 1.04 3.70 0.46 0.00 0.01 -5.06 105.19 106.52 1wh4 n GLY 51 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1wh4 n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wh4 s ASP 52 N -1.81 3.49 0.19 1.61 1.11 -1.26 -4.61 116.67 115.40 1wh4 s ASP 52 Ca 0.00 2.27 -0.33 0.00 0.18 0.00 0.00 52.55 54.67 1wh4 s ASP 52 Cb 0.00 -2.58 -0.13 0.00 1.07 0.00 0.00 42.92 41.28 1wh4 s ASP 52 CO 0.00 -2.73 1.61 0.47 1.18 0.00 0.00 175.17 175.70 1wh4 n ASP 53 N -3.57 3.40 0.25 0.27 8.00 -1.26 0.22 116.55 123.85 1wh4 n ASP 53 Ca 0.13 1.08 -0.14 0.00 0.71 0.00 0.00 54.79 56.57 1wh4 n ASP 53 Cb 0.51 -1.48 -0.08 0.00 -0.02 0.00 0.00 41.12 40.05 1wh4 n ASP 53 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1wh4 h ARG 54 N 5.98 -0.62 -3.47 -1.24 3.08 -1.68 -3.41 114.38 113.02 1wh4 h ARG 54 Ca -0.44 0.04 -0.79 0.00 0.07 0.00 0.00 59.98 58.86 1wh4 h ARG 54 Cb 1.24 0.14 -0.29 0.00 0.08 0.00 0.00 29.97 31.14 1wh4 h ARG 54 CO 0.89 -0.31 0.42 0.66 -1.07 0.00 0.00 179.97 180.56 1wh4 n TYR 55 N -5.26 4.91 -0.47 3.04 4.01 -1.26 -4.99 117.16 117.14 1wh4 n TYR 55 Ca -0.11 -3.83 -0.31 0.00 -0.16 0.00 0.00 57.90 53.50 1wh4 n TYR 55 Cb 0.31 -1.60 0.28 0.00 -0.31 0.00 0.00 39.34 38.02 1wh4 n TYR 55 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1wh4 s ASN 56 N 0.85 -0.86 0.34 7.72 3.84 -1.26 -4.58 114.94 120.98 1wh4 s ASN 56 Ca 0.31 0.80 0.09 0.00 0.21 0.00 0.00 52.86 54.26 1wh4 s ASN 56 Cb -0.08 -1.12 0.81 0.00 -0.55 0.00 0.00 41.25 40.30 1wh4 s ASN 56 CO -0.07 -5.24 1.83 1.56 -2.79 0.00 0.00 177.10 172.39 1wh4 h GLN 57 N -3.34 0.69 -0.93 0.43 4.20 -1.98 -0.25 115.11 113.93 1wh4 h GLN 57 Ca -0.43 -0.04 0.27 0.00 0.06 0.00 0.00 58.65 58.51 1wh4 h GLN 57 Cb 1.33 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.92 1wh4 h GLN 57 CO 0.28 0.45 0.68 0.35 -0.67 0.00 0.00 178.83 179.93 1wh4 h PHE 58 N 0.71 0.00 0.03 2.96 3.57 -1.99 -0.09 116.94 122.14 1wh4 h PHE 58 Ca 0.50 0.00 -0.38 0.00 3.53 0.00 0.00 57.97 61.62 1wh4 h PHE 58 Cb 0.83 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.52 1wh4 h PHE 58 CO -0.00 0.00 -2.25 0.72 -2.23 0.00 0.00 178.31 174.55 1wh4 n HIS 59 N -4.21 0.43 -0.33 0.41 8.25 -0.17 -3.73 115.22 115.86 1wh4 n HIS 59 Ca 0.19 0.11 0.04 0.00 -0.26 0.00 0.00 57.72 57.81 1wh4 n HIS 59 Cb 1.01 -1.05 0.19 0.00 1.12 0.00 0.00 29.99 31.25 1wh4 n HIS 59 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1wh4 h ILE 60 N -0.26 0.96 -0.84 1.59 1.08 -0.72 -1.40 117.51 117.93 1wh4 h ILE 60 Ca -0.54 -0.33 -0.01 0.00 -0.39 0.00 0.00 64.86 63.59 1wh4 h ILE 60 Cb 1.83 -0.08 -0.04 0.00 -3.07 0.00 0.00 36.82 35.46 1wh4 h ILE 60 CO -0.11 0.17 0.49 0.03 -0.69 0.00 0.00 178.15 178.04 1wh4 h ARG 61 N 0.95 1.15 0.04 2.37 2.47 -1.20 0.19 114.38 120.35 1wh4 h ARG 61 Ca 0.44 -0.11 0.02 0.00 -1.26 0.00 0.00 59.98 59.07 1wh4 h ARG 61 Cb 0.35 -0.24 -0.03 0.00 -1.65 0.00 0.00 29.97 28.40 1wh4 h ARG 61 CO -0.23 0.82 -0.20 0.00 0.56 0.00 0.00 179.97 180.92 1wh4 h ARG 62 N 1.16 -0.32 -0.56 0.04 2.47 -1.39 -2.40 114.38 113.37 1wh4 h ARG 62 Ca 0.30 0.02 -0.08 0.00 -1.26 0.00 0.00 59.98 58.96 1wh4 h ARG 62 Cb -0.02 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 1wh4 h ARG 62 CO -0.05 -0.22 0.04 0.74 0.56 0.00 0.00 179.97 181.04 1wh4 h PHE 63 N -0.34 0.99 -0.35 3.04 0.04 -0.74 -2.17 116.94 117.41 1wh4 h PHE 63 Ca 0.05 -0.14 0.08 0.00 2.80 0.00 0.00 57.97 60.75 1wh4 h PHE 63 Cb 0.39 -0.27 -0.08 0.00 2.20 0.00 0.00 35.95 38.19 1wh4 h PHE 63 CO -0.22 0.87 -0.25 0.93 -0.60 0.00 0.00 178.31 179.04 1wh4 h GLU 64 N 0.87 -0.20 -0.71 1.51 5.08 -0.55 -2.09 114.58 118.49 1wh4 h GLU 64 Ca 0.17 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.70 1wh4 h GLU 64 Cb 0.46 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 1wh4 h GLU 64 CO 0.02 -0.13 0.48 0.00 -1.00 0.00 0.00 179.01 178.38 1wh4 h ALA 65 N 0.92 2.25 0.64 3.43 0.00 -0.86 0.13 119.26 125.76 1wh4 h ALA 65 Ca 0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1wh4 h ALA 65 Cb 0.48 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1wh4 h ALA 65 CO -0.47 -0.44 -0.31 -0.07 0.00 0.00 0.00 179.25 177.96 1wh4 h LEU 66 N 0.29 -0.72 -1.50 0.00 3.38 -1.36 -2.36 115.31 113.03 1wh4 h LEU 66 Ca 0.34 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 1wh4 h LEU 66 Cb 0.94 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1wh4 h LEU 66 CO -0.09 -0.51 0.22 0.17 0.09 0.00 0.00 178.44 178.32 1wh4 h LEU 67 N -0.86 0.49 0.00 1.67 8.10 -0.86 0.70 115.31 124.55 1wh4 h LEU 67 Ca -0.09 -0.03 0.00 0.00 0.11 0.00 0.00 57.88 57.87 1wh4 h LEU 67 Cb 0.66 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.75 1wh4 h LEU 67 CO 0.14 0.40 0.00 0.00 -4.11 0.00 0.00 178.44 174.88 1wh4 n GLN 68 N -4.43 0.24 -0.04 0.17 6.02 0.35 -2.64 117.38 117.05 1wh4 n GLN 68 Ca 0.03 0.12 0.01 0.00 -0.01 0.00 0.00 57.00 57.15 1wh4 n GLN 68 Cb 0.10 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 29.87 1wh4 n GLN 68 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1wh4 n THR 69 N -1.30 0.57 -2.36 5.09 -2.24 -0.12 -5.03 114.28 108.89 1wh4 n THR 69 Ca 0.08 -0.59 -0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1wh4 n THR 69 Cb 0.15 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 1wh4 n THR 69 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wh4 n GLY 70 N -0.32 0.79 3.31 3.38 0.00 -0.34 -5.04 105.19 106.98 1wh4 n GLY 70 Ca 0.01 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.16 1wh4 n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wh4 s LYS 71 N -4.72 1.26 -0.12 1.61 1.02 0.05 -4.98 119.74 113.87 1wh4 s LYS 71 Ca 0.00 -1.17 -0.29 0.00 0.02 0.00 0.00 55.97 54.53 1wh4 s LYS 71 Cb -0.00 -1.56 -0.04 0.00 -0.52 0.00 0.00 37.83 35.70 1wh4 s LYS 71 CO 0.01 0.37 1.66 0.45 -0.92 0.00 0.00 175.35 176.92 1wh4 s SER 72 N -1.81 6.52 0.37 2.83 0.15 -1.26 -2.26 113.70 118.24 1wh4 s SER 72 Ca 0.09 2.01 0.15 0.00 0.70 0.00 0.00 55.95 58.90 1wh4 s SER 72 Cb -0.10 -2.53 0.72 0.00 -1.71 0.00 0.00 66.02 62.40 1wh4 s SER 72 CO 0.04 -1.08 1.80 1.55 1.20 0.00 0.00 173.24 176.75 1wh4 h PRO 73 N 10.17 0.00 0.30 5.44 0.13 -1.91 -3.27 132.00 142.86 1wh4 h PRO 73 Ca -0.37 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1wh4 h PRO 73 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1wh4 h PRO 73 CO 0.97 0.39 -0.27 1.15 -0.23 0.00 0.00 178.00 180.01 1wh4 h THR 74 N 0.00 0.42 0.04 1.56 2.02 -1.91 -1.69 112.91 113.36 1wh4 h THR 74 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1wh4 h THR 74 Cb 0.75 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1wh4 h THR 74 CO 0.05 0.00 -0.04 0.00 0.37 0.00 0.00 175.52 175.90 1wh4 h GLU 76 N -0.09 0.65 0.47 0.00 4.39 -1.62 -0.64 114.58 117.74 1wh4 h GLU 76 Ca 0.00 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1wh4 h GLU 76 Cb 0.09 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1wh4 h GLU 76 CO -0.01 0.43 -0.23 1.25 -1.16 0.00 0.00 179.01 179.29 1wh4 h LEU 77 N 0.67 -0.54 -1.37 1.33 5.85 -0.94 -2.71 115.31 117.60 1wh4 h LEU 77 Ca 0.23 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1wh4 h LEU 77 Cb 0.03 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1wh4 h LEU 77 CO -0.10 -0.32 0.33 -0.07 -0.34 0.00 0.00 178.44 177.94 1wh4 h LEU 78 N -0.73 0.66 -0.05 2.25 3.38 -0.93 -0.66 115.31 119.24 1wh4 h LEU 78 Ca -0.07 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1wh4 h LEU 78 Cb 0.53 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1wh4 h LEU 78 CO 0.11 0.52 -0.03 0.15 0.09 0.00 0.00 178.44 179.28 1wh4 h PHE 79 N 0.77 0.12 -0.20 1.13 3.57 -1.04 -1.62 116.94 119.66 1wh4 h PHE 79 Ca 0.20 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1wh4 h PHE 79 Cb -0.02 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1wh4 h PHE 79 CO 0.00 0.50 0.04 0.22 -2.23 0.00 0.00 178.31 176.84 1wh4 h ASP 80 N -0.30 0.32 -0.46 0.41 1.82 -1.37 -3.08 116.42 113.77 1wh4 h ASP 80 Ca 0.01 -0.25 0.08 0.00 -0.39 0.00 0.00 57.03 56.48 1wh4 h ASP 80 Cb 0.48 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.38 1wh4 h ASP 80 CO 0.01 0.49 0.31 -0.25 -1.61 0.00 0.00 179.24 178.19 1wh4 h TRP 81 N 0.13 0.28 -0.88 0.28 7.01 -1.05 0.50 115.95 122.22 1wh4 h TRP 81 Ca 0.06 0.01 0.19 0.00 2.11 0.00 0.00 58.89 61.25 1wh4 h TRP 81 Cb 0.31 -0.09 -0.07 0.00 -2.10 0.00 0.00 29.16 27.21 1wh4 h TRP 81 CO 0.02 0.14 0.58 0.78 -2.79 0.00 0.00 178.44 177.17 1wh4 h GLY 82 N 0.27 0.93 -1.90 2.65 0.00 -1.19 -1.27 103.07 102.55 1wh4 h GLY 82 Ca 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wh4 h GLY 82 CO -0.04 0.02 0.00 -0.37 0.00 0.00 0.00 176.54 176.14 1wh4 n THR 83 N -4.52 0.28 0.22 4.70 5.66 0.14 -3.38 114.28 117.38 1wh4 n THR 83 Ca 0.18 -0.64 0.05 0.00 -3.05 0.00 0.00 64.05 60.60 1wh4 n THR 83 Cb 0.63 1.18 0.51 0.00 -1.55 0.00 0.00 70.33 71.10 1wh4 n THR 83 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1wh4 h THR 84 N 4.07 1.12 0.00 1.09 2.02 -0.88 -3.48 112.91 116.85 1wh4 h THR 84 Ca 0.00 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1wh4 h THR 84 Cb 0.90 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1wh4 h THR 84 CO 0.00 0.17 0.00 0.59 0.37 0.00 0.00 175.52 176.65 1wh4 n ASN 85 N -4.34 0.00 -4.26 4.18 3.02 -1.20 -5.12 115.26 107.53 1wh4 n ASN 85 Ca -0.02 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.38 1wh4 n ASN 85 Cb 0.23 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.30 1wh4 n ASN 85 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wh4 s THR 87 N -3.63 0.81 0.22 0.00 -4.23 -1.26 -3.22 115.64 104.33 1wh4 s THR 87 Ca 0.26 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.70 1wh4 s THR 87 Cb 0.06 -2.50 0.17 0.00 1.34 0.00 0.00 72.50 71.57 1wh4 s THR 87 CO 0.06 0.00 1.79 0.58 -0.54 0.00 0.00 174.62 176.51 1wh4 h VAL 88 N 1.90 0.89 -0.14 2.29 2.07 -0.18 -0.71 116.25 122.37 1wh4 h VAL 88 Ca -0.38 -0.22 -0.10 0.00 0.82 0.00 0.00 66.70 66.82 1wh4 h VAL 88 Cb 1.26 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1wh4 h VAL 88 CO 0.62 0.12 -0.35 1.23 0.02 0.00 0.00 177.57 179.21 1wh4 h GLY 89 N 0.65 0.32 1.01 2.17 0.00 -1.21 -0.34 103.07 105.66 1wh4 h GLY 89 Ca 0.34 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 1wh4 h GLY 89 CO -0.24 0.26 0.38 -1.80 0.00 0.00 0.00 176.54 175.14 1wh4 h ASP 90 N 0.25 0.93 0.65 0.19 3.58 -1.39 -2.44 116.42 118.20 1wh4 h ASP 90 Ca 0.03 -0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.34 1wh4 h ASP 90 Cb 0.74 -0.24 0.01 0.00 1.72 0.00 0.00 39.33 41.56 1wh4 h ASP 90 CO 0.06 0.78 -0.31 0.25 -2.88 0.00 0.00 179.24 177.13 1wh4 h LEU 91 N 1.02 -0.74 -0.73 2.28 5.85 -0.67 -3.02 115.31 119.30 1wh4 h LEU 91 Ca 0.26 -0.01 0.16 0.00 0.84 0.00 0.00 57.88 59.12 1wh4 h LEU 91 Cb 0.07 0.19 -0.13 0.00 0.37 0.00 0.00 40.66 41.16 1wh4 h LEU 91 CO -0.04 -0.41 -0.03 0.58 -0.34 0.00 0.00 178.44 178.20 1wh4 h VAL 92 N -1.08 0.35 -0.16 1.05 2.07 -1.11 0.81 116.25 118.18 1wh4 h VAL 92 Ca -0.09 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1wh4 h VAL 92 Cb 0.71 0.26 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 1wh4 h VAL 92 CO 0.15 0.02 -0.30 -0.78 0.02 0.00 0.00 177.57 176.67 1wh4 h ASP 93 N 0.08 -0.95 -0.55 0.57 3.58 -1.41 0.57 116.42 118.32 1wh4 h ASP 93 Ca 0.39 0.15 -0.08 0.00 0.42 0.00 0.00 57.03 57.90 1wh4 h ASP 93 Cb 0.67 0.41 -0.02 0.00 1.72 0.00 0.00 39.33 42.11 1wh4 h ASP 93 CO -0.66 -0.34 0.02 -0.07 -2.88 0.00 0.00 179.24 175.31 1wh4 h LEU 94 N -0.36 0.93 -0.48 2.28 3.38 -1.26 -2.40 115.31 117.41 1wh4 h LEU 94 Ca 0.11 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1wh4 h LEU 94 Cb 0.53 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1wh4 h LEU 94 CO -0.37 1.00 0.30 -0.07 0.09 0.00 0.00 178.44 179.39 1wh4 h LEU 95 N 0.84 0.50 -0.85 1.67 3.38 0.03 -0.38 115.31 120.49 1wh4 h LEU 95 Ca 0.16 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1wh4 h LEU 95 Cb 0.50 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1wh4 h LEU 95 CO 0.02 0.36 0.56 0.58 0.09 0.00 0.00 178.44 180.05 1wh4 h VAL 96 N 0.61 1.21 -0.27 1.22 2.07 -0.84 0.15 116.25 120.40 1wh4 h VAL 96 Ca 0.18 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1wh4 h VAL 96 Cb -0.03 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.70 1wh4 h VAL 96 CO -0.06 0.21 0.15 0.06 0.02 0.00 0.00 177.57 177.95 1wh4 h GLN 97 N 1.14 0.31 0.00 1.57 3.07 -0.66 -0.75 115.11 119.79 1wh4 h GLN 97 Ca 0.31 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 59.03 1wh4 h GLN 97 Cb -0.12 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 27.37 1wh4 h GLN 97 CO -0.07 0.20 0.00 0.44 0.09 0.00 0.00 178.83 179.49 1wh4 n ILE 98 N -4.94 0.00 -0.83 1.86 -5.35 -0.29 -4.85 119.36 104.95 1wh4 n ILE 98 Ca -0.02 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1wh4 n ILE 98 Cb 0.05 -0.45 0.00 0.00 -1.74 0.00 0.00 39.64 37.49 1wh4 n ILE 98 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1wh4 n GLU 99 N -0.87 0.00 -2.26 6.28 4.07 -0.29 -4.98 120.64 122.59 1wh4 n GLU 99 Ca 0.15 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.82 1wh4 n GLU 99 Cb 0.07 -2.50 0.00 0.00 -0.06 0.00 0.00 31.44 28.96 1wh4 n GLU 99 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1wh4 n LEU 100 N 0.00 6.67 0.09 4.31 7.99 0.51 -4.78 117.00 131.78 1wh4 n LEU 100 Ca 0.00 -4.58 -0.03 0.00 -0.01 0.00 0.00 56.01 51.39 1wh4 n LEU 100 Cb 0.00 -1.50 0.20 0.00 -0.11 0.00 0.00 43.42 42.01 1wh4 n LEU 100 CO 0.00 1.34 0.61 -0.26 -1.51 0.00 0.00 177.39 177.57 1wh4 h PHE 101 N 5.79 0.31 0.42 -1.77 0.04 -1.90 -3.00 116.94 116.83 1wh4 h PHE 101 Ca 0.42 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 61.09 1wh4 h PHE 101 Cb 0.63 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.69 1wh4 h PHE 101 CO 1.28 0.66 -0.47 0.00 -0.60 0.00 0.00 178.31 179.18 1wh4 h ALA 102 N 1.33 -1.02 -0.10 2.45 0.00 -1.96 0.15 119.26 120.11 1wh4 h ALA 102 Ca 0.02 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1wh4 h ALA 102 Cb 0.87 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1wh4 h ALA 102 CO 0.07 -1.12 -0.35 -1.00 0.00 0.00 0.00 179.25 176.86 1wh4 h PRO 103 N -0.91 0.20 0.08 0.00 0.13 -1.92 0.59 132.00 130.17 1wh4 h PRO 103 Ca -0.04 -0.08 0.02 0.00 -0.87 0.00 0.00 66.00 65.02 1wh4 h PRO 103 Cb 0.81 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.90 1wh4 h PRO 103 CO -0.09 0.53 -0.18 0.00 -0.23 0.00 0.00 178.00 178.03 1wh4 h ALA 104 N 1.47 -0.28 -0.26 -0.56 0.00 -1.36 -2.67 119.26 115.59 1wh4 h ALA 104 Ca 0.02 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1wh4 h ALA 104 Cb 0.70 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1wh4 h ALA 104 CO 0.05 -0.70 -0.21 1.15 0.00 0.00 0.00 179.25 179.54 1wh4 h THR 105 N -0.34 1.25 -0.81 0.00 2.02 -0.22 0.50 112.91 115.32 1wh4 h THR 105 Ca 0.03 -1.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.00 1wh4 h THR 105 Cb 0.37 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 1wh4 h THR 105 CO -0.12 0.38 0.42 0.25 0.37 0.00 0.00 175.52 176.82 1wh4 h LEU 106 N 0.43 1.04 0.07 2.58 5.85 -0.74 -2.30 115.31 122.24 1wh4 h LEU 106 Ca 0.07 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1wh4 h LEU 106 Cb 0.61 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1wh4 h LEU 106 CO 0.04 0.86 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.90 1wh4 h LEU 107 N 1.14 -0.09 -6.17 2.25 3.38 -1.13 -3.45 115.31 111.24 1wh4 h LEU 107 Ca 0.28 -0.51 -0.39 0.00 0.09 0.00 0.00 57.88 57.35 1wh4 h LEU 107 Cb 0.08 0.02 -0.30 0.00 0.09 0.00 0.00 40.66 40.54 1wh4 h LEU 107 CO -0.04 0.59 -0.73 -0.22 0.09 0.00 0.00 178.44 178.13 1wh4 s LEU 108 N -8.72 0.08 0.00 1.67 2.96 0.14 -4.34 118.68 110.46 1wh4 s LEU 108 Ca -0.13 -1.95 0.13 0.00 -0.22 0.00 0.00 54.13 51.96 1wh4 s LEU 108 Cb -0.01 0.52 0.79 0.00 0.50 0.00 0.00 46.19 48.00 1wh4 s LEU 108 CO 0.50 -0.21 1.23 -0.81 -1.32 0.00 0.00 176.35 175.74 1wh4 n PRO 109 N 3.74 0.57 -0.04 0.98 -0.04 -0.87 -2.31 135.00 137.02 1wh4 n PRO 109 Ca 0.16 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1wh4 n PRO 109 Cb 0.47 -1.36 -0.11 0.00 -0.04 0.00 0.00 33.50 32.46 1wh4 n PRO 109 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wh4 n ASP 110 N -0.86 1.63 -0.03 3.54 9.92 -1.26 -4.62 116.55 124.87 1wh4 n ASP 110 Ca 0.10 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.21 1wh4 n ASP 110 Cb 0.05 1.21 -0.10 0.00 -0.64 0.00 0.00 41.12 41.64 1wh4 n ASP 110 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wh4 h ALA 111 N 0.98 0.08 -1.88 2.24 0.00 -1.83 -3.44 119.26 115.40 1wh4 h ALA 111 Ca -0.20 -0.42 -0.65 0.00 0.00 0.00 0.00 54.91 53.63 1wh4 h ALA 111 Cb 1.32 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.14 1wh4 h ALA 111 CO 0.01 0.09 0.88 1.55 0.00 0.00 0.00 179.25 181.78 1wh4 n VAL 112 N -4.52 0.30 0.83 0.00 3.14 -1.25 -4.85 118.33 111.99 1wh4 n VAL 112 Ca -0.09 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 1wh4 n VAL 112 Cb 0.46 -1.45 0.00 0.00 -1.06 0.00 0.00 33.84 31.79 1wh4 n VAL 112 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1wh4 n PRO 113 N 4.99 0.83 -3.64 1.45 -0.04 -1.26 -4.60 135.00 132.74 1wh4 n PRO 113 Ca 0.22 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.54 1wh4 n PRO 113 Cb 0.23 -1.21 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 1wh4 n PRO 113 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1wh4 s GLN 114 N -0.27 0.92 0.00 0.54 0.74 -1.26 -5.14 119.66 115.19 1wh4 s GLN 114 Ca 0.00 -0.19 0.00 0.00 0.05 0.00 0.00 55.36 55.22 1wh4 s GLN 114 Cb 0.00 0.42 0.00 0.00 1.10 0.00 0.00 33.01 34.53 1wh4 s GLN 114 CO 0.00 -0.31 0.00 2.41 -0.55 0.00 0.00 175.29 176.84 1wh4 n THR 115 N 0.70 -0.34 0.00 -0.34 -1.04 -1.26 -4.99 114.28 107.01 1wh4 n THR 115 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1wh4 n THR 115 Cb 0.59 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 1wh4 n THR 115 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1wh4 n VAL 116 N 1.61 0.00 -1.45 12.58 0.31 -1.26 -4.78 118.33 125.34 1wh4 n VAL 116 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.51 1wh4 n VAL 116 Cb 0.00 -0.31 -0.08 0.00 -0.91 0.00 0.00 33.84 32.53 1wh4 n VAL 116 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1wh4 n LYS 117 N -2.35 -3.24 -3.62 5.55 4.01 -1.26 -4.99 118.16 112.26 1wh4 n LYS 117 Ca 0.00 2.55 -0.07 0.00 -0.51 0.00 0.00 58.31 60.29 1wh4 n LYS 117 Cb 0.00 -3.83 -0.06 0.00 -0.51 0.00 0.00 35.03 30.63 1wh4 n LYS 117 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1wh4 s SER 118 N -7.23 -0.24 -0.30 4.39 0.01 -1.26 -5.20 113.70 103.87 1wh4 s SER 118 Ca 0.00 0.36 -0.29 0.00 1.31 0.00 0.00 55.95 57.33 1wh4 s SER 118 Cb 0.00 0.33 0.20 0.00 0.21 0.00 0.00 66.02 66.76 1wh4 s SER 118 CO 0.00 -0.16 1.40 -1.48 0.41 0.00 0.00 173.24 173.42 1wh4 s LEU 119 N -0.53 -0.00 0.87 2.44 2.34 -1.26 -5.18 118.68 117.35 1wh4 s LEU 119 Ca 0.04 0.00 -0.11 0.00 0.06 0.00 0.00 54.13 54.12 1wh4 s LEU 119 Cb -0.03 1.01 0.11 0.00 -0.56 0.00 0.00 46.19 46.72 1wh4 s LEU 119 CO -0.06 -0.00 1.09 -2.16 -1.06 0.00 0.00 176.35 174.16 1wh4 s PRO 120 N -0.94 1.49 1.11 1.48 0.04 -1.26 -5.04 135.00 131.87 1wh4 s PRO 120 Ca 0.10 0.81 -0.13 0.00 0.04 0.00 0.00 61.00 61.81 1wh4 s PRO 120 Cb -0.01 -1.84 0.25 0.00 0.04 0.00 0.00 34.50 32.94 1wh4 s PRO 120 CO -0.09 -2.07 1.06 -1.25 0.04 0.00 0.00 177.00 174.68 1wh4 s PRO 121 N -4.98 -0.44 -0.03 0.56 0.04 -1.26 -5.08 135.00 123.81 1wh4 s PRO 121 Ca 0.63 0.54 -0.01 0.00 0.04 0.00 0.00 61.00 62.20 1wh4 s PRO 121 Cb -0.17 -1.63 0.03 0.00 0.04 0.00 0.00 34.50 32.76 1wh4 s PRO 121 CO 0.56 -3.33 0.07 0.45 0.04 0.00 0.00 177.00 174.80 1wh4 s SER 122 N -3.12 -0.02 0.00 6.66 0.15 -1.26 -5.14 113.70 110.97 1wh4 s SER 122 Ca 0.67 0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.46 1wh4 s SER 122 Cb -0.20 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 1wh4 s SER 122 CO 0.60 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.55 1wh4 n GLY 123 N 3.89 3.23 3.79 9.45 0.00 -1.26 -5.14 105.19 119.15 1wh4 n GLY 123 Ca -0.23 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 1wh4 n GLY 123 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wh4 s PRO 124 N -2.02 3.93 -0.23 1.61 0.04 -1.26 -5.00 135.00 132.07 1wh4 s PRO 124 Ca 0.00 1.46 -0.16 0.00 0.04 0.00 0.00 61.00 62.33 1wh4 s PRO 124 Cb 0.00 -2.29 -0.13 0.00 0.04 0.00 0.00 34.50 32.12 1wh4 s PRO 124 CO 0.00 -0.33 -0.16 0.45 0.04 0.00 0.00 177.00 176.99 1wh4 n SER 125 N -0.58 1.91 -2.75 6.66 2.88 -1.26 -4.75 113.62 115.74 1wh4 n SER 125 Ca 0.07 0.39 -0.02 0.00 -1.33 0.00 0.00 58.87 57.99 1wh4 n SER 125 Cb 0.51 -0.86 0.09 0.00 -0.75 0.00 0.00 64.21 63.20 1wh4 n SER 125 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wh4 n SER 126 N -4.37 0.03 0.00 -3.46 2.88 -1.26 -5.34 113.62 102.10 1wh4 n SER 126 Ca -0.38 -2.19 0.00 0.00 -1.33 0.00 0.00 58.87 54.97 1wh4 n SER 126 Cb 0.72 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.30 1wh4 n SER 126 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42