#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh4 s SER 2 N 0.00 2.15 0.32 1.61 1.04 -1.26 -5.02 113.70 112.53 1wh4 s SER 2 Ca 0.00 -0.40 0.05 0.00 0.48 0.00 0.00 55.95 56.07 1wh4 s SER 2 Cb 0.00 -0.49 0.67 0.00 0.10 0.00 0.00 66.02 66.30 1wh4 s SER 2 CO 0.00 -0.25 1.86 -1.28 0.98 0.00 0.00 173.24 174.55 1wh4 h SER 3 N 8.30 0.81 0.00 7.02 0.87 -2.10 -3.48 113.55 124.96 1wh4 h SER 3 Ca -0.18 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1wh4 h SER 3 Cb 1.12 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1wh4 h SER 3 CO 0.29 0.43 0.00 0.61 -0.53 0.00 0.00 176.83 177.63 1wh4 n GLY 4 N -1.39 0.50 3.62 5.77 0.00 -1.26 -5.04 105.19 107.39 1wh4 n GLY 4 Ca 0.18 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 1wh4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh4 s SER 5 N -4.00 2.37 -0.04 1.61 0.01 -1.26 -5.09 113.70 107.30 1wh4 s SER 5 Ca 0.00 1.95 -0.16 0.00 1.31 0.00 0.00 55.95 59.05 1wh4 s SER 5 Cb 0.00 -2.47 0.03 0.00 0.21 0.00 0.00 66.02 63.79 1wh4 s SER 5 CO 0.00 -3.40 0.36 -0.44 0.41 0.00 0.00 173.24 170.17 1wh4 s SER 6 N -2.67 -0.27 0.71 2.44 0.01 -1.26 -5.17 113.70 107.48 1wh4 s SER 6 Ca 0.67 0.27 -0.05 0.00 1.31 0.00 0.00 55.95 58.14 1wh4 s SER 6 Cb -0.23 0.42 0.08 0.00 0.21 0.00 0.00 66.02 66.50 1wh4 s SER 6 CO 0.60 -0.41 1.00 -0.83 0.41 0.00 0.00 173.24 174.01 1wh4 s GLY 7 N -1.05 1.74 -0.14 3.44 0.00 -1.26 -5.13 107.32 104.92 1wh4 s GLY 7 Ca -0.11 -1.18 -0.30 0.00 0.00 0.00 0.00 44.72 43.13 1wh4 s GLY 7 CO 0.04 -0.73 0.93 1.06 0.00 0.00 0.00 173.10 174.40 1wh4 s MET 8 N -5.21 0.69 0.50 2.90 1.00 -1.26 -5.17 119.30 112.75 1wh4 s MET 8 Ca 0.62 0.18 -0.05 0.00 0.00 0.00 0.00 55.69 56.44 1wh4 s MET 8 Cb -0.09 0.33 -0.03 0.00 0.00 0.00 0.00 34.83 35.04 1wh4 s MET 8 CO 0.44 -0.21 0.81 -0.80 0.00 0.00 0.00 175.02 175.26 1wh4 s ASN 9 N -1.09 6.19 0.63 3.03 0.01 -1.26 -5.08 114.94 117.37 1wh4 s ASN 9 Ca -0.04 0.92 -0.17 0.00 -0.71 0.00 0.00 52.86 52.86 1wh4 s ASN 9 Cb -0.00 -2.19 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 1wh4 s ASN 9 CO 0.03 -0.65 0.82 2.29 -1.51 0.00 0.00 177.10 178.09 1wh4 n LYS 10 N -2.32 0.66 0.00 -0.60 0.00 -1.26 -5.03 118.16 109.62 1wh4 n LYS 10 Ca 0.01 0.27 0.00 0.00 -0.00 0.00 0.00 58.31 58.59 1wh4 n LYS 10 Cb 0.55 -2.04 0.00 0.00 -0.00 0.00 0.00 35.03 33.54 1wh4 n LYS 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1wh4 n PRO 11 N -0.96 0.27 -1.72 -1.58 -0.04 -1.26 -4.96 135.00 124.75 1wh4 n PRO 11 Ca 0.13 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.16 1wh4 n PRO 11 Cb 0.48 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.92 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 3.90 -4.74 1.53 7.99 -1.20 -4.97 117.00 119.52 1wh4 n LEU 12 Ca 0.00 1.14 -0.33 0.00 -0.01 0.00 0.00 56.01 56.81 1wh4 n LEU 12 Cb 0.00 -1.53 0.09 0.00 -0.11 0.00 0.00 43.42 41.86 1wh4 n LEU 12 CO 0.00 -0.07 0.75 0.42 -1.51 0.00 0.00 177.39 176.98 1wh4 s THR 13 N 0.04 2.74 0.18 -5.08 -4.23 -1.26 -4.68 115.64 103.34 1wh4 s THR 13 Ca 0.66 0.32 -0.14 0.00 -1.18 0.00 0.00 61.69 61.35 1wh4 s THR 13 Cb -0.55 -2.80 0.10 0.00 1.34 0.00 0.00 72.50 70.59 1wh4 s THR 13 CO 0.48 -0.23 1.70 -0.65 -0.54 0.00 0.00 174.62 175.38 1wh4 h PRO 14 N -0.48 0.14 0.00 3.99 0.11 -1.93 -1.88 132.00 131.95 1wh4 h PRO 14 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1wh4 h PRO 14 Cb 1.27 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1wh4 h PRO 14 CO 0.50 0.09 0.00 0.43 -0.21 0.00 0.00 178.00 178.82 1wh4 n SER 15 N -5.18 0.00 -4.77 -2.05 7.64 -1.26 -0.35 113.62 107.66 1wh4 n SER 15 Ca 0.04 -0.68 -0.40 0.00 1.01 0.00 0.00 58.87 58.84 1wh4 n SER 15 Cb 0.23 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.41 1wh4 n SER 15 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1wh4 s THR 16 N -2.00 2.91 0.71 0.44 2.01 -0.71 -4.87 115.64 114.13 1wh4 s THR 16 Ca 0.26 0.89 -0.11 0.00 0.31 0.00 0.00 61.69 63.03 1wh4 s THR 16 Cb 0.12 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 69.09 1wh4 s THR 16 CO 0.20 0.19 1.07 -0.31 -0.69 0.00 0.00 174.62 175.08 1wh4 s TYR 17 N -1.19 2.89 0.14 4.92 2.02 -1.26 -0.23 117.35 124.64 1wh4 s TYR 17 Ca 0.50 1.48 -0.14 0.00 -0.37 0.00 0.00 57.07 58.54 1wh4 s TYR 17 Cb -0.37 -2.97 0.01 0.00 -0.40 0.00 0.00 41.96 38.23 1wh4 s TYR 17 CO 0.48 -1.44 1.61 0.82 -1.57 0.00 0.00 175.55 175.46 1wh4 h ILE 18 N -0.70 1.25 0.00 2.71 1.08 -1.83 -3.13 117.51 116.89 1wh4 h ILE 18 Ca -0.44 -0.94 0.00 0.00 -0.39 0.00 0.00 64.86 63.09 1wh4 h ILE 18 Cb 1.22 0.97 0.00 0.00 -3.07 0.00 0.00 36.82 35.94 1wh4 h ILE 18 CO 0.55 0.33 0.00 0.08 -0.69 0.00 0.00 178.15 178.42 1wh4 h ARG 19 N 0.63 0.00 0.00 2.37 -0.00 -1.83 -0.81 114.38 114.73 1wh4 h ARG 19 Ca 0.14 0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 60.04 1wh4 h ARG 19 Cb 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.37 1wh4 h ARG 19 CO 0.01 0.00 -0.35 -0.91 -0.00 0.00 0.00 179.97 178.72 1wh4 h ASN 20 N 0.00 0.00 -3.76 0.08 4.21 -1.91 -3.46 115.58 110.73 1wh4 h ASN 20 Ca 0.00 0.00 -0.52 0.00 1.21 0.00 0.00 56.30 56.99 1wh4 h ASN 20 Cb 0.29 0.00 0.05 0.00 -1.12 0.00 0.00 38.32 37.54 1wh4 h ASN 20 CO 0.00 0.35 0.63 -0.76 -1.29 0.00 0.00 177.43 176.36 1wh4 s LEU 21 N -8.10 4.44 0.66 1.61 1.43 -0.31 -4.96 118.68 113.44 1wh4 s LEU 21 Ca -0.03 2.59 -0.14 0.00 -1.03 0.00 0.00 54.13 55.52 1wh4 s LEU 21 Cb 0.14 -3.64 -0.00 0.00 0.03 0.00 0.00 46.19 42.72 1wh4 s LEU 21 CO 0.71 -0.49 1.09 0.21 0.23 0.00 0.00 176.35 178.10 1wh4 s ASN 22 N -0.36 5.25 0.35 2.29 3.04 -1.26 -4.77 114.94 119.48 1wh4 s ASN 22 Ca 0.50 1.89 0.10 0.00 0.04 0.00 0.00 52.86 55.39 1wh4 s ASN 22 Cb -0.38 -2.54 0.84 0.00 -1.54 0.00 0.00 41.25 37.63 1wh4 s ASN 22 CO 0.48 -1.53 1.83 1.62 -3.04 0.00 0.00 177.10 176.47 1wh4 h VAL 23 N -0.06 0.76 -0.06 -5.21 3.04 -1.98 0.02 116.25 112.75 1wh4 h VAL 23 Ca -0.46 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 1wh4 h VAL 23 Cb 1.23 0.03 -0.00 0.00 -2.01 0.00 0.00 31.29 30.54 1wh4 h VAL 23 CO 0.55 0.12 0.04 1.23 -1.01 0.00 0.00 177.57 178.50 1wh4 h GLY 24 N 0.67 0.09 1.01 3.17 0.00 -1.99 0.24 103.07 106.26 1wh4 h GLY 24 Ca 0.50 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.79 1wh4 h GLY 24 CO -0.26 0.03 0.41 -2.22 0.00 0.00 0.00 176.54 174.50 1wh4 h ILE 25 N 0.08 1.21 -0.83 2.60 1.08 -1.42 0.23 117.51 120.48 1wh4 h ILE 25 Ca 0.02 -0.51 0.08 0.00 -0.39 0.00 0.00 64.86 64.05 1wh4 h ILE 25 Cb -0.01 0.25 -0.07 0.00 -3.07 0.00 0.00 36.82 33.93 1wh4 h ILE 25 CO -0.00 0.23 0.49 -0.07 -0.69 0.00 0.00 178.15 178.11 1wh4 h LEU 26 N 0.99 0.74 -0.46 1.44 3.38 -0.85 0.84 115.31 121.39 1wh4 h LEU 26 Ca 0.25 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 58.09 1wh4 h LEU 26 Cb 0.01 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1wh4 h LEU 26 CO -0.04 0.45 -0.49 0.03 0.09 0.00 0.00 178.44 178.47 1wh4 h ARG 27 N 0.86 0.72 -0.54 1.13 2.47 0.03 -1.68 114.38 117.38 1wh4 h ARG 27 Ca 0.38 -0.43 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 1wh4 h ARG 27 Cb 0.26 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.59 1wh4 h ARG 27 CO -0.21 1.05 0.30 0.87 0.56 0.00 0.00 179.97 182.54 1wh4 h LYS 28 N 0.57 0.75 0.06 0.04 1.57 0.03 -0.73 116.57 118.85 1wh4 h LYS 28 Ca 0.03 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1wh4 h LYS 28 Cb 1.06 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.19 1wh4 h LYS 28 CO 0.10 0.58 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.32 1wh4 h LEU 29 N 0.72 -0.48 -1.64 2.94 -0.00 -0.80 -2.32 115.31 113.73 1wh4 h LEU 29 Ca 0.19 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 58.13 1wh4 h LEU 29 Cb 0.04 0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 1wh4 h LEU 29 CO -0.03 -0.24 0.00 0.77 -0.00 0.00 0.00 178.44 178.94 1wh4 h SER 30 N -0.31 0.00 0.13 -0.43 4.64 -0.92 0.14 113.55 116.80 1wh4 h SER 30 Ca 0.04 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1wh4 h SER 30 Cb 0.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1wh4 h SER 30 CO -0.12 0.00 -0.07 -0.78 -0.87 0.00 0.00 176.83 174.99 1wh4 h ASP 31 N 0.00 0.00 0.00 4.97 3.58 -0.55 -2.44 116.42 121.97 1wh4 h ASP 31 Ca 0.00 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.21 1wh4 h ASP 31 Cb 0.22 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.23 1wh4 h ASP 31 CO 0.00 0.07 -1.90 0.49 -2.88 0.00 0.00 179.24 175.02 1wh4 n PHE 32 N -4.01 0.00 -0.08 0.28 3.72 -0.21 -4.74 117.46 112.43 1wh4 n PHE 32 Ca -0.03 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.32 1wh4 n PHE 32 Cb 0.16 -0.63 -0.15 0.00 -0.94 0.00 0.00 39.48 37.91 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 -2.67 1.05 -0.14 4.37 2.08 0.33 -4.15 119.36 120.24 1wh4 n ILE 33 Ca -0.24 -0.75 -0.09 0.00 0.56 0.00 0.00 62.75 62.23 1wh4 n ILE 33 Cb 0.88 -0.38 -0.01 0.00 -0.75 0.00 0.00 39.64 39.38 1wh4 n ILE 33 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1wh4 h ASP 34 N 0.00 0.60 -4.00 4.38 3.32 -1.64 -1.19 116.42 117.90 1wh4 h ASP 34 Ca -0.42 -0.21 -0.49 0.00 0.02 0.00 0.00 57.03 55.92 1wh4 h ASP 34 Cb 1.94 -0.16 0.19 0.00 0.22 0.00 0.00 39.33 41.52 1wh4 h ASP 34 CO 0.02 0.66 0.19 -2.16 -1.72 0.00 0.00 179.24 176.23 1wh4 s PRO 35 N -5.37 0.72 -0.92 3.56 0.04 -1.26 -3.96 135.00 127.81 1wh4 s PRO 35 Ca -0.13 1.22 -0.02 0.00 0.04 0.00 0.00 61.00 62.11 1wh4 s PRO 35 Cb 0.10 -1.72 0.02 0.00 0.04 0.00 0.00 34.50 32.94 1wh4 s PRO 35 CO 0.77 -2.73 0.12 1.04 0.04 0.00 0.00 177.00 176.24 1wh4 n GLN 36 N -4.27 -2.63 -2.70 4.56 6.02 -1.26 -1.51 117.38 115.58 1wh4 n GLN 36 Ca 0.09 0.45 -0.13 0.00 -0.01 0.00 0.00 57.00 57.39 1wh4 n GLN 36 Cb 0.53 -5.06 -0.00 0.00 1.02 0.00 0.00 30.24 26.73 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 -2.98 -2.65 -0.33 -1.09 1.02 -1.25 -4.85 120.64 108.51 1wh4 n GLU 37 Ca -0.09 0.47 0.10 0.00 -0.02 0.00 0.00 57.16 57.62 1wh4 n GLU 37 Cb 0.57 -5.08 0.30 0.00 -0.02 0.00 0.00 31.44 27.21 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 -0.26 1.50 0.92 0.62 0.00 -0.78 -1.15 103.07 103.91 1wh4 h GLY 38 Ca -0.29 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.65 1wh4 h GLY 38 CO 0.34 0.11 0.11 0.11 0.00 0.00 0.00 176.54 177.21 1wh4 h TRP 39 N 0.86 0.52 -0.55 5.60 5.08 -1.50 -0.59 115.95 125.36 1wh4 h TRP 39 Ca 0.49 -0.05 0.06 0.00 1.08 0.00 0.00 58.89 60.47 1wh4 h TRP 39 Cb 0.63 -0.15 -0.05 0.00 -3.00 0.00 0.00 29.16 26.58 1wh4 h TRP 39 CO -0.00 0.51 0.27 0.87 -1.28 0.00 0.00 178.44 178.81 1wh4 h LYS 40 N 0.38 0.50 -0.15 0.12 1.57 -1.56 0.03 116.57 117.45 1wh4 h LYS 40 Ca 0.11 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1wh4 h LYS 40 Cb 0.23 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1wh4 h LYS 40 CO -0.01 0.33 0.08 0.87 -0.57 0.00 0.00 179.45 180.15 1wh4 h LYS 41 N 0.51 0.21 -0.03 3.15 1.57 -1.08 -1.62 116.57 119.28 1wh4 h LYS 41 Ca 0.25 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.03 1wh4 h LYS 41 Cb 0.19 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1wh4 h LYS 41 CO -0.19 0.24 -0.17 1.25 -0.57 0.00 0.00 179.45 180.01 1wh4 h LEU 42 N 0.13 -0.50 -0.28 2.94 7.12 -0.69 -1.36 115.31 122.67 1wh4 h LEU 42 Ca 0.05 0.08 0.06 0.00 0.13 0.00 0.00 57.88 58.20 1wh4 h LEU 42 Cb 0.09 0.22 -0.06 0.00 -0.53 0.00 0.00 40.66 40.38 1wh4 h LEU 42 CO -0.01 -0.23 -0.09 0.00 -0.13 0.00 0.00 178.44 177.98 1wh4 h ALA 43 N 0.69 0.15 0.00 1.25 0.00 -0.73 -1.73 119.26 118.90 1wh4 h ALA 43 Ca 0.06 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1wh4 h ALA 43 Cb 0.35 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1wh4 h ALA 43 CO -0.18 -0.49 -0.01 -0.39 0.00 0.00 0.00 179.25 178.17 1wh4 h VAL 44 N -0.04 0.03 -0.16 0.00 -1.51 -1.16 -2.76 116.25 110.66 1wh4 h VAL 44 Ca 0.14 -0.76 -0.16 0.00 -1.23 0.00 0.00 66.70 64.69 1wh4 h VAL 44 Cb 0.25 1.74 -0.01 0.00 -2.13 0.00 0.00 31.29 31.14 1wh4 h VAL 44 CO -0.31 0.01 -0.56 0.00 -1.23 0.00 0.00 177.57 175.49 1wh4 h ALA 45 N 1.99 0.74 -2.17 5.19 0.00 -0.49 -3.44 119.26 121.08 1wh4 h ALA 45 Ca -0.00 -0.52 -0.57 0.00 0.00 0.00 0.00 54.91 53.83 1wh4 h ALA 45 Cb 0.74 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1wh4 h ALA 45 CO 0.00 0.69 0.87 0.42 0.00 0.00 0.00 179.25 181.24 1wh4 s ILE 46 N -3.95 4.28 0.28 0.00 1.01 -0.72 -5.03 121.20 117.06 1wh4 s ILE 46 Ca -0.07 1.55 0.09 0.00 0.00 0.00 0.00 60.65 62.23 1wh4 s ILE 46 Cb 0.11 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 1wh4 s ILE 46 CO 0.83 -0.12 -0.12 -0.54 0.00 0.00 0.00 174.94 174.99 1wh4 s LYS 47 N 3.31 1.59 0.95 2.79 3.01 -1.26 -3.01 119.74 127.11 1wh4 s LYS 47 Ca 0.55 -1.77 -0.12 0.00 -1.01 0.00 0.00 55.97 53.62 1wh4 s LYS 47 Cb -0.22 -1.41 0.16 0.00 -1.01 0.00 0.00 37.83 35.35 1wh4 s LYS 47 CO 0.16 0.17 1.10 0.15 0.51 0.00 0.00 175.35 177.43 1wh4 s LYS 48 N -3.63 0.78 0.12 1.68 -0.14 0.89 -4.77 119.74 114.67 1wh4 s LYS 48 Ca 0.29 0.52 0.11 0.00 -1.36 0.00 0.00 55.97 55.52 1wh4 s LYS 48 Cb 0.00 -1.78 0.54 0.00 -1.68 0.00 0.00 37.83 34.91 1wh4 s LYS 48 CO 0.12 -2.49 1.34 -2.30 -0.76 0.00 0.00 175.35 171.26 1wh4 n PRO 49 N -4.01 0.06 -0.04 -1.68 -0.02 -1.26 -1.28 135.00 126.77 1wh4 n PRO 49 Ca 0.06 0.50 0.06 0.00 -2.02 0.00 0.00 63.50 62.09 1wh4 n PRO 49 Cb 0.57 -1.67 0.07 0.00 -0.02 0.00 0.00 33.50 32.45 1wh4 n PRO 49 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1wh4 n SER 50 N -1.80 2.13 0.00 2.55 7.64 -1.26 -4.99 113.62 117.89 1wh4 n SER 50 Ca 0.00 -1.57 0.00 0.00 1.01 0.00 0.00 58.87 58.31 1wh4 n SER 50 Cb 0.06 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1wh4 n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh4 n GLY 51 N 0.60 0.33 3.70 0.23 0.00 -0.41 -5.09 105.19 104.56 1wh4 n GLY 51 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.05 3.61 0.18 1.61 1.01 -1.26 -4.54 116.67 115.23 1wh4 s ASP 52 Ca 0.00 2.29 -0.32 0.00 0.71 0.00 0.00 52.55 55.23 1wh4 s ASP 52 Cb 0.00 -2.58 -0.11 0.00 1.01 0.00 0.00 42.92 41.24 1wh4 s ASP 52 CO 0.00 -2.65 1.70 -1.81 0.21 0.00 0.00 175.17 172.63 1wh4 s ASP 53 N -2.33 6.43 0.15 0.27 1.01 -1.26 -0.08 116.67 120.86 1wh4 s ASP 53 Ca 0.71 2.79 -0.02 0.00 0.71 0.00 0.00 52.55 56.75 1wh4 s ASP 53 Cb -0.27 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.02 1wh4 s ASP 53 CO 0.51 -0.95 1.34 0.03 0.21 0.00 0.00 175.17 176.32 1wh4 h ARG 54 N 7.08 0.33 -2.45 8.23 3.08 -1.83 -3.43 114.38 125.39 1wh4 h ARG 54 Ca -0.43 -0.35 -0.56 0.00 0.07 0.00 0.00 59.98 58.70 1wh4 h ARG 54 Cb 1.20 0.10 -0.38 0.00 0.08 0.00 0.00 29.97 30.97 1wh4 h ARG 54 CO 0.95 1.04 -0.87 0.71 -1.07 0.00 0.00 179.97 180.72 1wh4 s TYR 55 N -3.28 0.72 1.21 3.04 2.02 -1.26 -5.06 117.35 114.74 1wh4 s TYR 55 Ca -0.05 -1.77 -0.19 0.00 -0.37 0.00 0.00 57.07 54.69 1wh4 s TYR 55 Cb 0.09 -0.85 0.29 0.00 -0.40 0.00 0.00 41.96 41.09 1wh4 s TYR 55 CO 0.85 -0.85 1.10 1.21 -1.57 0.00 0.00 175.55 176.29 1wh4 s ASN 56 N 0.78 0.82 0.60 2.29 2.47 -1.26 -4.67 114.94 115.97 1wh4 s ASN 56 Ca 0.23 0.67 0.36 0.00 0.42 0.00 0.00 52.86 54.53 1wh4 s ASN 56 Cb -0.14 -0.93 1.91 0.00 -1.45 0.00 0.00 41.25 40.64 1wh4 s ASN 56 CO -0.06 -4.19 2.22 1.56 -3.72 0.00 0.00 177.10 172.92 1wh4 h GLN 57 N -2.62 0.00 -0.30 0.43 1.08 -2.00 -0.21 115.11 111.48 1wh4 h GLN 57 Ca -0.45 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 56.84 1wh4 h GLN 57 Cb 1.30 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.72 1wh4 h GLN 57 CO 0.34 0.03 0.28 0.35 -0.95 0.00 0.00 178.83 178.89 1wh4 h PHE 58 N 0.00 0.00 0.04 2.96 3.57 -2.01 -0.57 116.94 120.94 1wh4 h PHE 58 Ca -0.00 0.00 -0.37 0.00 3.53 0.00 0.00 57.97 61.12 1wh4 h PHE 58 Cb 0.15 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 1wh4 h PHE 58 CO 0.00 0.00 -2.28 0.72 -2.23 0.00 0.00 178.31 174.52 1wh4 n HIS 59 N -3.98 0.45 -0.31 0.41 8.25 -0.12 -4.21 115.22 115.71 1wh4 n HIS 59 Ca 0.05 0.10 0.08 0.00 -0.26 0.00 0.00 57.72 57.68 1wh4 n HIS 59 Cb 0.44 -1.06 0.23 0.00 1.12 0.00 0.00 29.99 30.72 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 0.02 0.75 -0.74 1.59 1.08 -1.05 -0.67 117.51 118.50 1wh4 h ILE 60 Ca -0.51 -0.23 -0.00 0.00 -0.39 0.00 0.00 64.86 63.72 1wh4 h ILE 60 Cb 1.98 0.01 -0.04 0.00 -3.07 0.00 0.00 36.82 35.71 1wh4 h ILE 60 CO -0.01 0.12 0.45 0.03 -0.69 0.00 0.00 178.15 178.05 1wh4 h ARG 61 N 0.68 0.99 0.19 2.37 2.47 -1.34 0.12 114.38 119.87 1wh4 h ARG 61 Ca 0.47 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 59.12 1wh4 h ARG 61 Cb 0.65 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.74 1wh4 h ARG 61 CO -0.35 0.69 -0.19 0.00 0.56 0.00 0.00 179.97 180.68 1wh4 h ARG 62 N 1.01 -0.40 -0.79 0.04 2.47 -1.31 -2.49 114.38 112.91 1wh4 h ARG 62 Ca 0.27 0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.98 1wh4 h ARG 62 Cb -0.05 0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.33 1wh4 h ARG 62 CO -0.05 -0.27 0.36 0.74 0.56 0.00 0.00 179.97 181.31 1wh4 h PHE 63 N -0.41 1.15 -0.28 3.04 0.04 -0.73 -2.05 116.94 117.69 1wh4 h PHE 63 Ca 0.00 -0.06 0.07 0.00 2.80 0.00 0.00 57.97 60.78 1wh4 h PHE 63 Cb 0.39 -0.35 -0.07 0.00 2.20 0.00 0.00 35.95 38.11 1wh4 h PHE 63 CO -0.15 0.84 -0.23 0.93 -0.60 0.00 0.00 178.31 179.11 1wh4 h GLU 64 N 1.13 -0.20 0.00 1.51 5.08 -0.76 -1.68 114.58 119.66 1wh4 h GLU 64 Ca 0.27 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1wh4 h GLU 64 Cb 0.14 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1wh4 h GLU 64 CO -0.03 -0.14 -0.01 0.00 -1.00 0.00 0.00 179.01 177.83 1wh4 h ALA 65 N 0.89 1.11 0.40 3.43 0.00 -0.90 -0.33 119.26 123.86 1wh4 h ALA 65 Ca 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1wh4 h ALA 65 Cb 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1wh4 h ALA 65 CO -0.40 0.02 -0.19 -0.07 0.00 0.00 0.00 179.25 178.60 1wh4 h LEU 66 N 0.00 -0.45 -1.18 0.00 3.38 -1.11 -3.31 115.31 112.64 1wh4 h LEU 66 Ca -0.00 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1wh4 h LEU 66 Cb 0.10 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1wh4 h LEU 66 CO 0.00 -0.01 0.47 0.17 0.09 0.00 0.00 178.44 179.15 1wh4 h LEU 67 N -1.05 0.90 -1.21 1.67 8.10 -0.84 0.35 115.31 123.24 1wh4 h LEU 67 Ca -0.05 -0.04 0.00 0.00 0.11 0.00 0.00 57.88 57.89 1wh4 h LEU 67 Cb 0.51 -0.23 0.00 0.00 -0.44 0.00 0.00 40.66 40.50 1wh4 h LEU 67 CO 0.09 0.68 0.00 0.00 -4.11 0.00 0.00 178.44 175.10 1wh4 n GLN 68 N -4.39 0.17 -0.02 0.17 6.02 -0.22 -2.31 117.38 116.79 1wh4 n GLN 68 Ca 0.08 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.64 1wh4 n GLN 68 Cb 0.06 -1.94 -0.08 0.00 1.02 0.00 0.00 30.24 29.30 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 -2.28 0.31 0.00 5.09 -2.24 -0.06 -5.04 114.28 110.05 1wh4 n THR 69 Ca -0.00 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1wh4 n THR 69 Cb 0.11 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 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 2.17 1.25 3.76 3.38 0.00 -0.17 -5.12 105.19 110.46 1wh4 n GLY 70 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 4.31 -0.20 1.61 1.02 -0.97 -4.87 119.74 120.64 1wh4 s LYS 71 Ca 0.00 2.26 -0.29 0.00 0.02 0.00 0.00 55.97 57.96 1wh4 s LYS 71 Cb 0.00 -3.09 -0.02 0.00 -0.52 0.00 0.00 37.83 34.20 1wh4 s LYS 71 CO 0.00 -0.30 1.49 -1.12 -0.92 0.00 0.00 175.35 174.50 1wh4 s SER 72 N -0.10 6.60 0.38 2.83 0.01 -1.26 -2.70 113.70 119.46 1wh4 s SER 72 Ca 0.53 1.65 0.09 0.00 1.31 0.00 0.00 55.95 59.54 1wh4 s SER 72 Cb -0.41 -2.53 0.74 0.00 0.21 0.00 0.00 66.02 64.03 1wh4 s SER 72 CO 0.49 -1.06 1.90 1.55 0.41 0.00 0.00 173.24 176.52 1wh4 h PRO 73 N 9.72 0.26 -0.34 12.44 0.13 -1.91 -2.66 132.00 149.63 1wh4 h PRO 73 Ca -0.32 -0.06 0.06 0.00 -0.87 0.00 0.00 66.00 64.82 1wh4 h PRO 73 Cb 1.14 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.17 1wh4 h PRO 73 CO 0.99 0.41 -0.05 1.15 -0.23 0.00 0.00 178.00 180.27 1wh4 h THR 74 N 0.24 0.70 0.57 1.56 2.02 -1.90 0.03 112.91 116.13 1wh4 h THR 74 Ca 0.05 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 1wh4 h THR 74 Cb 0.40 0.66 0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1wh4 h THR 74 CO 0.02 0.01 -0.27 0.00 0.37 0.00 0.00 175.52 175.65 1wh4 h GLU 76 N -0.84 0.51 0.09 0.00 4.39 -1.39 0.95 114.58 118.29 1wh4 h GLU 76 Ca -0.08 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1wh4 h GLU 76 Cb 0.61 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1wh4 h GLU 76 CO 0.13 0.34 -0.07 1.25 -1.16 0.00 0.00 179.01 179.49 1wh4 h LEU 77 N 0.52 -0.18 -0.73 1.33 5.85 -0.90 -0.29 115.31 120.92 1wh4 h LEU 77 Ca 0.20 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.85 1wh4 h LEU 77 Cb 0.06 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1wh4 h LEU 77 CO -0.11 -0.11 0.09 -0.07 -0.34 0.00 0.00 178.44 177.90 1wh4 h LEU 78 N -0.17 1.02 -0.03 2.25 3.38 -0.61 -1.09 115.31 120.07 1wh4 h LEU 78 Ca -0.00 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1wh4 h LEU 78 Cb 0.15 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1wh4 h LEU 78 CO -0.00 1.02 -0.01 0.15 0.09 0.00 0.00 178.44 179.69 1wh4 h PHE 79 N 1.00 0.08 0.00 1.13 3.57 -0.62 0.55 116.94 122.65 1wh4 h PHE 79 Ca 0.20 -0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.55 1wh4 h PHE 79 Cb 0.44 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1wh4 h PHE 79 CO 0.03 0.45 -0.62 0.22 -2.23 0.00 0.00 178.31 176.16 1wh4 h ASP 80 N -0.31 0.00 0.26 0.41 3.58 -1.07 -1.56 116.42 117.74 1wh4 h ASP 80 Ca 0.01 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.36 1wh4 h ASP 80 Cb 0.43 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1wh4 h ASP 80 CO 0.00 0.62 -0.39 -0.25 -2.88 0.00 0.00 179.24 176.34 1wh4 h TRP 81 N 0.00 0.20 -0.01 0.28 7.01 -1.20 -2.29 115.95 119.93 1wh4 h TRP 81 Ca -0.01 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 60.95 1wh4 h TRP 81 Cb 1.21 -0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 28.22 1wh4 h TRP 81 CO 0.00 0.54 0.53 0.78 -2.79 0.00 0.00 178.44 177.50 1wh4 h GLY 82 N 1.19 0.00 -1.99 2.65 0.00 0.18 0.13 103.07 105.24 1wh4 h GLY 82 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1wh4 h GLY 82 CO 0.06 0.00 0.00 -0.37 0.00 0.00 0.00 176.54 176.23 1wh4 n THR 83 N -2.79 0.39 0.03 4.70 5.66 -0.86 -4.35 114.28 117.05 1wh4 n THR 83 Ca -0.01 -0.69 0.07 0.00 -3.05 0.00 0.00 64.05 60.36 1wh4 n THR 83 Cb 0.56 1.08 0.15 0.00 -1.55 0.00 0.00 70.33 70.57 1wh4 n THR 83 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1wh4 n THR 84 N 1.29 0.69 -1.71 1.09 -1.04 0.03 -4.99 114.28 109.64 1wh4 n THR 84 Ca 0.16 -0.85 0.00 0.00 -2.04 0.00 0.00 64.05 61.33 1wh4 n THR 84 Cb 0.55 0.74 0.00 0.00 -1.82 0.00 0.00 70.33 69.81 1wh4 n THR 84 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1wh4 n ASN 85 N 0.78 -1.42 -4.40 8.00 3.02 -1.24 -5.08 115.26 114.92 1wh4 n ASN 85 Ca 0.13 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.48 1wh4 n ASN 85 Cb 0.43 -0.36 -0.10 0.00 -0.61 0.00 0.00 39.78 39.15 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 -3.20 1.09 0.21 0.00 -4.23 -1.26 -3.07 115.64 105.18 1wh4 s THR 87 Ca 0.30 -2.02 -0.09 0.00 -1.18 0.00 0.00 61.69 58.70 1wh4 s THR 87 Cb 0.05 -2.65 0.14 0.00 1.34 0.00 0.00 72.50 71.38 1wh4 s THR 87 CO 0.11 -0.09 1.80 0.58 -0.54 0.00 0.00 174.62 176.49 1wh4 h VAL 88 N 2.24 0.96 -0.81 2.29 2.07 -0.34 -0.88 116.25 121.78 1wh4 h VAL 88 Ca -0.40 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 1wh4 h VAL 88 Cb 1.24 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1wh4 h VAL 88 CO 0.67 0.12 0.40 1.23 0.02 0.00 0.00 177.57 180.01 1wh4 h GLY 89 N 0.66 1.24 0.97 2.17 0.00 -0.92 0.18 103.07 107.36 1wh4 h GLY 89 Ca 0.29 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1wh4 h GLY 89 CO -0.19 0.57 -0.13 -1.80 0.00 0.00 0.00 176.54 174.99 1wh4 h ASP 90 N 1.15 -0.32 -0.04 0.19 1.82 -1.66 -1.50 116.42 116.07 1wh4 h ASP 90 Ca 0.28 -0.02 0.03 0.00 -0.39 0.00 0.00 57.03 56.94 1wh4 h ASP 90 Cb 0.10 0.08 -0.04 0.00 0.68 0.00 0.00 39.33 40.15 1wh4 h ASP 90 CO -0.04 -0.19 -0.18 0.25 -1.61 0.00 0.00 179.24 177.47 1wh4 h LEU 91 N -0.42 -0.52 -0.34 2.28 5.85 -0.60 0.01 115.31 121.57 1wh4 h LEU 91 Ca -0.04 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.84 1wh4 h LEU 91 Cb 0.32 0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.49 1wh4 h LEU 91 CO 0.06 -0.23 -0.26 0.58 -0.34 0.00 0.00 178.44 178.25 1wh4 h VAL 92 N -0.27 0.33 -0.54 1.05 2.07 -0.62 0.16 116.25 118.43 1wh4 h VAL 92 Ca 0.07 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 1wh4 h VAL 92 Cb 0.36 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1wh4 h VAL 92 CO -0.20 0.00 0.32 0.44 0.02 0.00 0.00 177.57 178.16 1wh4 h ASP 93 N -0.22 0.65 -0.47 0.57 5.19 -0.58 0.58 116.42 122.15 1wh4 h ASP 93 Ca 0.17 -0.06 -0.04 0.00 -0.62 0.00 0.00 57.03 56.48 1wh4 h ASP 93 Cb 0.49 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 1wh4 h ASP 93 CO -0.47 0.52 0.14 -0.07 -3.12 0.00 0.00 179.24 176.25 1wh4 h LEU 94 N 0.73 0.68 -0.33 1.55 3.38 -0.69 -0.93 115.31 119.69 1wh4 h LEU 94 Ca 0.19 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1wh4 h LEU 94 Cb -0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1wh4 h LEU 94 CO -0.04 0.71 0.15 -0.07 0.09 0.00 0.00 178.44 179.28 1wh4 h LEU 95 N 0.62 0.20 -1.25 1.67 3.38 -0.10 -0.96 115.31 118.87 1wh4 h LEU 95 Ca 0.15 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1wh4 h LEU 95 Cb 0.27 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1wh4 h LEU 95 CO -0.00 0.16 0.09 0.58 0.09 0.00 0.00 178.44 179.35 1wh4 h VAL 96 N 0.31 1.19 -0.61 1.22 2.07 -0.71 0.20 116.25 119.93 1wh4 h VAL 96 Ca 0.14 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1wh4 h VAL 96 Cb 0.08 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1wh4 h VAL 96 CO -0.12 0.24 0.36 -0.61 0.02 0.00 0.00 177.57 177.47 1wh4 h GLN 97 N 0.59 0.83 -0.17 1.57 4.15 -0.29 -2.28 115.11 119.50 1wh4 h GLN 97 Ca 0.14 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1wh4 h GLN 97 Cb 0.24 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1wh4 h GLN 97 CO -0.00 0.60 0.00 0.44 -1.93 0.00 0.00 178.83 177.94 1wh4 n ILE 98 N -4.60 0.23 -1.04 2.39 -5.35 -0.45 -4.91 119.36 105.63 1wh4 n ILE 98 Ca 0.04 -0.27 -0.01 0.00 -0.27 0.00 0.00 62.75 62.24 1wh4 n ILE 98 Cb 0.06 0.14 -0.01 0.00 -1.74 0.00 0.00 39.64 38.10 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 0.06 -0.23 -2.24 6.28 2.13 -0.61 -4.96 120.64 121.06 1wh4 n GLU 99 Ca 0.11 0.30 -0.42 0.00 0.66 0.00 0.00 57.16 57.81 1wh4 n GLU 99 Cb 0.21 -3.69 0.00 0.00 0.27 0.00 0.00 31.44 28.24 1wh4 n GLU 99 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1wh4 n LEU 100 N -0.14 6.67 -0.09 4.31 7.99 0.60 -4.80 117.00 131.55 1wh4 n LEU 100 Ca -0.01 -4.56 -0.12 0.00 -0.01 0.00 0.00 56.01 51.31 1wh4 n LEU 100 Cb 0.08 -1.51 -0.05 0.00 -0.11 0.00 0.00 43.42 41.83 1wh4 n LEU 100 CO 0.02 1.32 0.64 -0.26 -1.51 0.00 0.00 177.39 177.60 1wh4 h PHE 101 N 5.81 0.65 -0.51 -1.77 0.04 -1.92 -3.06 116.94 116.18 1wh4 h PHE 101 Ca 0.42 -0.17 0.10 0.00 2.80 0.00 0.00 57.97 61.12 1wh4 h PHE 101 Cb 0.63 -0.15 -0.10 0.00 2.20 0.00 0.00 35.95 38.53 1wh4 h PHE 101 CO 1.29 0.83 -0.28 0.00 -0.60 0.00 0.00 178.31 179.55 1wh4 h ALA 102 N 0.72 0.01 -0.30 2.45 0.00 -1.97 0.28 119.26 120.45 1wh4 h ALA 102 Ca 0.05 0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 1wh4 h ALA 102 Cb 0.68 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1wh4 h ALA 102 CO 0.04 -0.63 -0.51 -1.00 0.00 0.00 0.00 179.25 177.15 1wh4 h PRO 103 N -0.16 0.84 -0.75 0.00 0.13 -1.96 -1.53 132.00 128.57 1wh4 h PRO 103 Ca 0.22 -0.51 0.14 0.00 -0.87 0.00 0.00 66.00 64.98 1wh4 h PRO 103 Cb 0.52 0.05 -0.09 0.00 0.13 0.00 0.00 31.00 31.61 1wh4 h PRO 103 CO -0.60 1.15 0.30 0.00 -0.23 0.00 0.00 178.00 178.61 1wh4 h ALA 104 N 0.76 1.05 -0.21 -0.56 0.00 -1.22 -1.99 119.26 117.09 1wh4 h ALA 104 Ca 0.02 0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 1wh4 h ALA 104 Cb 1.11 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1wh4 h ALA 104 CO 0.11 -0.21 -0.61 1.15 0.00 0.00 0.00 179.25 179.69 1wh4 h THR 105 N 0.44 1.30 -0.78 0.00 2.02 -0.34 0.37 112.91 115.92 1wh4 h THR 105 Ca 0.41 -1.84 0.03 0.00 0.77 0.00 0.00 66.41 65.78 1wh4 h THR 105 Cb 0.61 1.79 -0.05 0.00 -1.74 0.00 0.00 68.15 68.76 1wh4 h THR 105 CO -0.40 0.58 0.50 0.25 0.37 0.00 0.00 175.52 176.82 1wh4 h LEU 106 N 0.54 0.82 0.22 2.58 5.85 -0.69 -2.17 115.31 122.46 1wh4 h LEU 106 Ca -0.01 -0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.38 1wh4 h LEU 106 Cb 1.21 -0.18 0.03 0.00 0.37 0.00 0.00 40.66 42.08 1wh4 h LEU 106 CO 0.13 0.56 -1.49 -0.07 -0.34 0.00 0.00 178.44 177.23 1wh4 h LEU 107 N 0.97 0.73 -5.60 2.25 3.38 -1.28 -3.45 115.31 112.31 1wh4 h LEU 107 Ca 0.32 -0.83 -0.19 0.00 0.09 0.00 0.00 57.88 57.27 1wh4 h LEU 107 Cb 0.02 -0.24 -0.21 0.00 0.09 0.00 0.00 40.66 40.33 1wh4 h LEU 107 CO -0.12 1.66 -0.55 -0.22 0.09 0.00 0.00 178.44 179.30 1wh4 s LEU 108 N -7.46 -1.05 0.41 1.67 0.20 0.11 -3.24 118.68 109.33 1wh4 s LEU 108 Ca -0.09 -1.55 0.09 0.00 0.69 0.00 0.00 54.13 53.26 1wh4 s LEU 108 Cb 0.05 1.55 0.85 0.00 -0.43 0.00 0.00 46.19 48.21 1wh4 s LEU 108 CO 0.92 -0.12 2.00 1.55 -0.29 0.00 0.00 176.35 180.41 1wh4 h PRO 109 N 5.92 0.37 -0.00 0.98 0.13 -1.57 -2.17 132.00 135.65 1wh4 h PRO 109 Ca 0.08 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1wh4 h PRO 109 Cb 1.11 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1wh4 h PRO 109 CO 0.09 0.34 -0.34 -0.25 -0.23 0.00 0.00 178.00 177.61 1wh4 n ASP 110 N -4.39 0.80 -0.05 1.44 8.00 -1.26 -4.03 116.55 117.06 1wh4 n ASP 110 Ca 0.01 -0.63 -0.11 0.00 0.71 0.00 0.00 54.79 54.77 1wh4 n ASP 110 Cb 0.16 0.17 -0.05 0.00 -0.02 0.00 0.00 41.12 41.38 1wh4 n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wh4 h ALA 111 N 3.41 0.23 -2.56 2.24 0.00 -1.74 -3.45 119.26 117.39 1wh4 h ALA 111 Ca 0.00 -0.15 -0.57 0.00 0.00 0.00 0.00 54.91 54.19 1wh4 h ALA 111 Cb 0.50 -0.07 0.12 0.00 0.00 0.00 0.00 17.79 18.34 1wh4 h ALA 111 CO 0.00 -0.13 0.45 1.55 0.00 0.00 0.00 179.25 181.12 1wh4 n VAL 112 N -4.80 2.26 0.61 0.00 3.14 -1.26 -4.84 118.33 113.44 1wh4 n VAL 112 Ca -0.05 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.83 1wh4 n VAL 112 Cb 0.16 -1.50 0.00 0.00 -1.06 0.00 0.00 33.84 31.44 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 0.32 0.61 -4.14 1.45 -0.04 -1.26 -4.76 135.00 127.18 1wh4 n PRO 113 Ca 0.06 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.37 1wh4 n PRO 113 Cb 0.38 -1.27 -0.12 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.60 0.62 -0.46 0.54 0.74 -1.26 -4.75 119.66 114.49 1wh4 s GLN 114 Ca 0.00 -0.70 -0.11 0.00 0.05 0.00 0.00 55.36 54.60 1wh4 s GLN 114 Cb 0.00 -0.50 0.01 0.00 1.10 0.00 0.00 33.01 33.63 1wh4 s GLN 114 CO 0.00 0.11 0.57 2.41 -0.55 0.00 0.00 175.29 177.83 1wh4 n THR 115 N 1.74-10.14 -1.93 -0.34 -1.04 -1.26 -4.86 114.28 96.45 1wh4 n THR 115 Ca -0.20 0.58 0.00 0.00 -2.04 0.00 0.00 64.05 62.39 1wh4 n THR 115 Cb 0.55 -6.95 0.00 0.00 -1.82 0.00 0.00 70.33 62.11 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 -0.64-10.13 -4.63 12.58 0.31 -1.26 -4.98 118.33 109.58 1wh4 n VAL 116 Ca 0.08 2.26 -0.29 0.00 -0.01 0.00 0.00 64.34 66.38 1wh4 n VAL 116 Cb 0.44 -5.15 -0.08 0.00 -0.91 0.00 0.00 33.84 28.14 1wh4 n VAL 116 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1wh4 s LYS 117 N -1.05 2.07 0.00 5.55 0.00 -1.26 -5.00 119.74 120.04 1wh4 s LYS 117 Ca 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 55.97 53.67 1wh4 s LYS 117 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 37.83 36.82 1wh4 s LYS 117 CO 0.00 -0.45 0.00 0.45 0.00 0.00 0.00 175.35 175.35 1wh4 n SER 118 N -1.33 0.00 -4.78 0.03 2.88 -1.26 -5.12 113.62 104.04 1wh4 n SER 118 Ca -0.12 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.06 1wh4 n SER 118 Cb 0.66 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.10 1wh4 n SER 118 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1wh4 s LEU 119 N 0.00 3.96 1.18 2.46 1.02 -1.26 -5.05 118.68 120.99 1wh4 s LEU 119 Ca 0.00 2.16 -0.17 0.00 0.02 0.00 0.00 54.13 56.15 1wh4 s LEU 119 Cb 0.00 -4.35 0.28 0.00 0.02 0.00 0.00 46.19 42.14 1wh4 s LEU 119 CO 0.00 -0.87 1.05 -2.84 0.02 0.00 0.00 176.35 173.72 1wh4 s PRO 120 N -2.86 -1.05 -1.04 1.29 0.02 -1.26 -4.91 135.00 125.19 1wh4 s PRO 120 Ca 0.65 0.31 -0.21 0.00 0.02 0.00 0.00 61.00 61.77 1wh4 s PRO 120 Cb -0.24 -1.58 -0.09 0.00 0.02 0.00 0.00 34.50 32.61 1wh4 s PRO 120 CO 0.29 -3.68 1.95 -0.35 -0.33 0.00 0.00 177.00 174.88 1wh4 n PRO 121 N -4.81 1.88 -1.57 5.54 -0.04 -1.26 -4.93 135.00 129.82 1wh4 n PRO 121 Ca 0.08 -2.29 -0.44 0.00 -0.04 0.00 0.00 63.50 60.82 1wh4 n PRO 121 Cb 0.58 -3.28 -0.04 0.00 -0.04 0.00 0.00 33.50 30.73 1wh4 n PRO 121 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wh4 n SER 122 N 9.52 3.04 0.00 3.54 7.64 -1.26 -4.72 113.62 131.38 1wh4 n SER 122 Ca 0.48 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.55 1wh4 n SER 122 Cb 0.43 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 1wh4 n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh4 n GLY 123 N 5.91 1.02 3.76 0.23 0.00 -1.26 -5.13 105.19 109.71 1wh4 n GLY 123 Ca 0.32 0.35 -0.38 0.00 0.00 0.00 0.00 46.02 46.31 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 1.92 3.47 0.00 1.61 0.04 -1.26 -5.00 135.00 135.79 1wh4 s PRO 124 Ca 0.00 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1wh4 s PRO 124 Cb 0.00 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1wh4 s PRO 124 CO 0.00 -0.84 0.00 0.43 0.04 0.00 0.00 177.00 176.63 1wh4 n SER 125 N -0.74 0.00 -3.32 6.66 7.64 -1.26 -5.01 113.62 117.59 1wh4 n SER 125 Ca 0.09 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.71 1wh4 n SER 125 Cb 0.47 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.58 1wh4 n SER 125 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wh4 n SER 126 N 0.00 -0.09 0.00 6.43 3.41 -1.26 -5.28 113.62 116.83 1wh4 n SER 126 Ca 0.00 -2.53 0.00 0.00 -0.26 0.00 0.00 58.87 56.08 1wh4 n SER 126 Cb 0.00 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 1wh4 n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49