#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh4 h SER 2 N 0.00 0.00 -3.47 1.61 0.87 -2.09 -3.49 113.55 106.99 1wh4 h SER 2 Ca 0.00 0.00 0.32 0.00 -1.23 0.00 0.00 61.79 60.88 1wh4 h SER 2 Cb 0.00 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 61.86 1wh4 h SER 2 CO 0.00 0.03 -0.60 -1.20 -0.53 0.00 0.00 176.83 174.53 1wh4 n SER 3 N -4.48 -7.25 0.00 6.23 7.64 -1.26 -5.10 113.62 109.40 1wh4 n SER 3 Ca -0.03 0.67 0.00 0.00 1.01 0.00 0.00 58.87 60.52 1wh4 n SER 3 Cb 0.11 -3.79 0.00 0.00 -1.01 0.00 0.00 64.21 59.52 1wh4 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh4 n GLY 4 N -3.87 -0.53 2.76 0.23 0.00 -1.26 -4.71 105.19 97.81 1wh4 n GLY 4 Ca -0.01 0.62 -0.01 0.00 0.00 0.00 0.00 46.02 46.62 1wh4 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh4 n SER 5 N 0.00 -6.98 -4.05 1.61 7.64 -1.26 -4.93 113.62 105.66 1wh4 n SER 5 Ca 0.00 1.33 -0.09 0.00 1.01 0.00 0.00 58.87 61.11 1wh4 n SER 5 Cb 0.00 -4.92 -0.09 0.00 -1.01 0.00 0.00 64.21 58.19 1wh4 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wh4 s SER 6 N -1.43 0.24 -0.30 6.43 0.15 -1.24 -4.78 113.70 112.75 1wh4 s SER 6 Ca -0.04 -1.00 -0.01 0.00 0.70 0.00 0.00 55.95 55.60 1wh4 s SER 6 Cb 0.00 0.33 0.10 0.00 -1.71 0.00 0.00 66.02 64.74 1wh4 s SER 6 CO 0.70 -0.75 0.09 -0.83 1.20 0.00 0.00 173.24 173.65 1wh4 s GLY 7 N -2.98 1.03 1.00 9.45 0.00 -1.26 -4.39 107.32 110.17 1wh4 s GLY 7 Ca 0.17 -1.60 -0.12 0.00 0.00 0.00 0.00 44.72 43.17 1wh4 s GLY 7 CO -0.02 1.62 1.08 1.06 0.00 0.00 0.00 173.10 176.84 1wh4 s MET 8 N 1.65 0.38 -0.35 2.90 -1.94 -1.26 -4.64 119.30 116.04 1wh4 s MET 8 Ca 0.09 0.73 -0.31 0.00 -1.71 0.00 0.00 55.69 54.49 1wh4 s MET 8 Cb -0.17 -1.71 0.05 0.00 2.01 0.00 0.00 34.83 35.00 1wh4 s MET 8 CO -0.25 -2.82 0.52 -1.71 -0.01 0.00 0.00 175.02 170.76 1wh4 n ASN 9 N -4.27 -5.72 -4.68 3.03 5.15 -1.26 -4.82 115.26 102.69 1wh4 n ASN 9 Ca 0.06 -0.04 -0.46 0.00 -0.60 0.00 0.00 54.58 53.54 1wh4 n ASN 9 Cb 0.56 -1.62 -0.04 0.00 -0.53 0.00 0.00 39.78 38.15 1wh4 n ASN 9 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1wh4 n LYS 10 N 0.14 2.43 0.00 1.20 4.01 -1.26 -5.00 118.16 119.68 1wh4 n LYS 10 Ca -0.07 0.89 0.00 0.00 -0.51 0.00 0.00 58.31 58.62 1wh4 n LYS 10 Cb 0.65 -2.76 0.00 0.00 -0.51 0.00 0.00 35.03 32.41 1wh4 n LYS 10 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1wh4 n PRO 11 N 6.18 0.10 -1.62 1.97 -0.04 -1.26 -4.91 135.00 135.42 1wh4 n PRO 11 Ca 0.20 0.00 -0.50 0.00 -0.04 0.00 0.00 63.50 63.17 1wh4 n PRO 11 Cb 0.33 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.74 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 2.20 -4.76 1.53 7.99 -1.22 -4.91 117.00 117.84 1wh4 n LEU 12 Ca 0.00 1.11 -0.40 0.00 -0.01 0.00 0.00 56.01 56.71 1wh4 n LEU 12 Cb 0.00 -1.28 0.02 0.00 -0.11 0.00 0.00 43.42 42.05 1wh4 n LEU 12 CO 0.00 -0.76 1.06 0.35 -1.51 0.00 0.00 177.39 176.52 1wh4 n THR 13 N 2.81 2.91 0.30 -5.08 -2.24 -1.26 -4.76 114.28 106.95 1wh4 n THR 13 Ca 0.18 -0.50 0.17 0.00 -2.27 0.00 0.00 64.05 61.63 1wh4 n THR 13 Cb 0.23 -1.82 0.94 0.00 -2.10 0.00 0.00 70.33 67.58 1wh4 n THR 13 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1wh4 h PRO 14 N 2.19 0.00 0.00 -0.78 0.13 -1.91 -0.49 132.00 131.14 1wh4 h PRO 14 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1wh4 h PRO 14 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1wh4 h PRO 14 CO 0.60 0.03 0.00 -1.13 -0.23 0.00 0.00 178.00 177.28 1wh4 n SER 15 N -3.47 0.00 -4.75 1.44 3.41 -1.26 -0.63 113.62 108.36 1wh4 n SER 15 Ca -0.02 0.11 -0.41 0.00 -0.26 0.00 0.00 58.87 58.29 1wh4 n SER 15 Cb 0.14 -0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 1wh4 n SER 15 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1wh4 s THR 16 N -2.70 3.11 0.42 6.66 2.01 -0.19 -4.86 115.64 120.09 1wh4 s THR 16 Ca 0.20 1.03 -0.18 0.00 0.31 0.00 0.00 61.69 63.04 1wh4 s THR 16 Cb 0.16 -3.65 -0.10 0.00 0.01 0.00 0.00 72.50 68.92 1wh4 s THR 16 CO 0.40 0.21 0.90 -0.31 -0.69 0.00 0.00 174.62 175.13 1wh4 s TYR 17 N -0.63 3.35 0.13 4.92 1.51 -1.26 -0.38 117.35 124.99 1wh4 s TYR 17 Ca 0.51 1.48 -0.18 0.00 -1.01 0.00 0.00 57.07 57.87 1wh4 s TYR 17 Cb -0.36 -2.76 -0.03 0.00 -0.11 0.00 0.00 41.96 38.70 1wh4 s TYR 17 CO 0.44 -0.11 1.77 0.82 -1.11 0.00 0.00 175.55 177.35 1wh4 h ILE 18 N 1.71 1.10 -0.19 2.71 1.08 -1.67 -1.34 117.51 120.92 1wh4 h ILE 18 Ca -0.48 -0.23 0.05 0.00 -0.39 0.00 0.00 64.86 63.80 1wh4 h ILE 18 Cb 1.18 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 35.62 1wh4 h ILE 18 CO 0.62 0.10 0.13 0.08 -0.69 0.00 0.00 178.15 178.39 1wh4 h ARG 19 N 0.40 0.04 0.00 2.37 -0.00 -1.80 -0.67 114.38 114.73 1wh4 h ARG 19 Ca 0.11 -0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.09 1wh4 h ARG 19 Cb -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 29.96 1wh4 h ARG 19 CO -0.02 0.03 0.00 -1.71 -0.00 0.00 0.00 179.97 178.27 1wh4 n ASN 20 N -4.49 0.32 -4.76 0.08 5.15 -0.52 -4.79 115.26 106.25 1wh4 n ASN 20 Ca 0.01 0.55 -0.41 0.00 -0.60 0.00 0.00 54.58 54.13 1wh4 n ASN 20 Cb 0.24 -0.63 -0.03 0.00 -0.53 0.00 0.00 39.78 38.83 1wh4 n ASN 20 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1wh4 s LEU 21 N -3.63 4.48 0.79 1.20 1.43 -0.26 -4.96 118.68 117.73 1wh4 s LEU 21 Ca 0.10 2.41 -0.13 0.00 -1.03 0.00 0.00 54.13 55.48 1wh4 s LEU 21 Cb 0.14 -3.63 0.08 0.00 0.03 0.00 0.00 46.19 42.80 1wh4 s LEU 21 CO 0.46 -0.35 1.18 0.21 0.23 0.00 0.00 176.35 178.08 1wh4 s ASN 22 N -0.43 3.79 0.51 2.29 3.84 -1.26 -4.79 114.94 118.88 1wh4 s ASN 22 Ca 0.49 2.27 0.22 0.00 0.21 0.00 0.00 52.86 56.05 1wh4 s ASN 22 Cb -0.35 -2.58 1.32 0.00 -0.55 0.00 0.00 41.25 39.09 1wh4 s ASN 22 CO 0.44 -2.53 2.02 1.62 -2.79 0.00 0.00 177.10 175.85 1wh4 h VAL 23 N -0.88 0.80 -0.14 -5.21 3.04 -1.95 0.17 116.25 112.08 1wh4 h VAL 23 Ca -0.46 -0.02 -0.01 0.00 -1.01 0.00 0.00 66.70 65.20 1wh4 h VAL 23 Cb 1.28 0.73 -0.01 0.00 -2.01 0.00 0.00 31.29 31.28 1wh4 h VAL 23 CO 0.47 0.01 0.05 1.23 -1.01 0.00 0.00 177.57 178.32 1wh4 h GLY 24 N 0.07 0.23 1.21 3.17 0.00 -1.99 -0.64 103.07 105.11 1wh4 h GLY 24 Ca 0.22 -0.13 -0.10 0.00 0.00 0.00 0.00 47.33 47.32 1wh4 h GLY 24 CO -0.02 0.12 -0.05 -2.22 0.00 0.00 0.00 176.54 174.37 1wh4 h ILE 25 N 0.05 1.26 -0.23 2.60 5.03 -1.65 -1.17 117.51 123.40 1wh4 h ILE 25 Ca 0.05 -1.17 0.05 0.00 -0.12 0.00 0.00 64.86 63.67 1wh4 h ILE 25 Cb 0.20 0.91 -0.05 0.00 -3.03 0.00 0.00 36.82 34.85 1wh4 h ILE 25 CO -0.00 0.41 -0.12 -0.07 -0.68 0.00 0.00 178.15 177.69 1wh4 h LEU 26 N 0.86 -0.40 -1.29 1.44 3.38 -0.87 0.58 115.31 119.00 1wh4 h LEU 26 Ca 0.15 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1wh4 h LEU 26 Cb 0.58 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1wh4 h LEU 26 CO 0.04 -0.15 0.25 0.03 0.09 0.00 0.00 178.44 178.69 1wh4 h ARG 27 N -0.10 0.74 0.40 1.13 2.47 -0.88 -1.26 114.38 116.88 1wh4 h ARG 27 Ca 0.12 -0.09 -0.02 0.00 -1.26 0.00 0.00 59.98 58.74 1wh4 h ARG 27 Cb 0.28 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1wh4 h ARG 27 CO -0.29 0.57 -0.19 0.87 0.56 0.00 0.00 179.97 181.49 1wh4 h LYS 28 N 0.74 -0.52 -0.38 0.04 1.57 -0.34 -3.11 116.57 114.58 1wh4 h LYS 28 Ca 0.19 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 59.08 1wh4 h LYS 28 Cb 0.08 0.12 -0.08 0.00 0.08 0.00 0.00 32.23 32.42 1wh4 h LYS 28 CO -0.03 -0.28 -0.17 -0.07 -0.57 0.00 0.00 179.45 178.34 1wh4 h LEU 29 N -0.65 -0.57 -2.07 2.94 -0.00 -0.55 -1.75 115.31 112.66 1wh4 h LEU 29 Ca -0.05 0.14 0.10 0.00 -0.00 0.00 0.00 57.88 58.07 1wh4 h LEU 29 Cb 0.47 0.32 -0.01 0.00 -0.00 0.00 0.00 40.66 41.44 1wh4 h LEU 29 CO 0.09 -0.20 0.34 0.77 -0.00 0.00 0.00 178.44 179.44 1wh4 h SER 30 N -0.10 0.00 0.21 -0.43 4.64 -1.21 -1.51 113.55 115.16 1wh4 h SER 30 Ca 0.19 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.47 1wh4 h SER 30 Cb 0.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1wh4 h SER 30 CO -0.44 0.00 -0.19 -0.78 -0.87 0.00 0.00 176.83 174.55 1wh4 h ASP 31 N 0.00 0.00 0.00 4.97 3.58 -1.24 -0.81 116.42 122.92 1wh4 h ASP 31 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1wh4 h ASP 31 Cb 0.86 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.91 1wh4 h ASP 31 CO -0.00 0.19 -1.55 0.49 -2.88 0.00 0.00 179.24 175.48 1wh4 n PHE 32 N -4.21 0.00 -0.10 0.28 3.72 -0.62 -4.62 117.46 111.91 1wh4 n PHE 32 Ca -0.02 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.27 1wh4 n PHE 32 Cb 0.25 -0.29 -0.15 0.00 -0.94 0.00 0.00 39.48 38.36 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 -1.93 1.36 0.18 4.37 2.08 -0.87 -4.43 119.36 120.12 1wh4 n ILE 33 Ca -0.02 -0.79 -0.14 0.00 0.56 0.00 0.00 62.75 62.35 1wh4 n ILE 33 Cb 0.34 -0.61 -0.08 0.00 -0.75 0.00 0.00 39.64 38.53 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 -0.36 -4.26 4.38 1.82 -1.38 -1.48 116.42 115.15 1wh4 h ASP 34 Ca -0.54 -0.09 -0.52 0.00 -0.39 0.00 0.00 57.03 55.49 1wh4 h ASP 34 Cb 2.16 0.09 0.16 0.00 0.68 0.00 0.00 39.33 42.42 1wh4 h ASP 34 CO 0.01 -0.12 0.30 -2.16 -1.61 0.00 0.00 179.24 175.66 1wh4 s PRO 35 N -5.44 1.85 -1.14 0.28 0.04 -1.26 -3.43 135.00 125.89 1wh4 s PRO 35 Ca -0.15 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1wh4 s PRO 35 Cb 0.03 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1wh4 s PRO 35 CO 0.61 -1.99 0.00 1.04 0.04 0.00 0.00 177.00 176.70 1wh4 n GLN 36 N -3.52 -1.65 -2.82 4.56 6.02 -1.26 -3.30 117.38 115.41 1wh4 n GLN 36 Ca 0.11 0.81 -0.22 0.00 -0.01 0.00 0.00 57.00 57.69 1wh4 n GLN 36 Cb 0.52 -5.11 0.02 0.00 1.02 0.00 0.00 30.24 26.69 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 -0.94 -3.83 -0.29 -1.09 1.02 -1.22 -4.90 120.64 109.38 1wh4 n GLU 37 Ca -0.11 0.94 0.10 0.00 -0.02 0.00 0.00 57.16 58.08 1wh4 n GLU 37 Cb 0.53 -5.75 0.34 0.00 -0.02 0.00 0.00 31.44 26.54 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 -0.93 1.33 0.94 0.62 0.00 -1.27 -2.03 103.07 101.74 1wh4 h GLY 38 Ca -0.52 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 46.45 1wh4 h GLY 38 CO 0.58 0.11 0.15 0.11 0.00 0.00 0.00 176.54 177.49 1wh4 h TRP 39 N 0.78 0.64 -0.79 5.60 5.08 -1.82 -1.16 115.95 124.28 1wh4 h TRP 39 Ca 0.46 -0.06 0.09 0.00 1.08 0.00 0.00 58.89 60.46 1wh4 h TRP 39 Cb 0.64 -0.19 -0.07 0.00 -3.00 0.00 0.00 29.16 26.54 1wh4 h TRP 39 CO -0.00 0.58 0.45 0.87 -1.28 0.00 0.00 178.44 179.05 1wh4 h LYS 40 N 0.52 0.75 -0.11 0.12 1.57 -1.70 -0.77 116.57 116.95 1wh4 h LYS 40 Ca 0.14 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1wh4 h LYS 40 Cb 0.22 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1wh4 h LYS 40 CO -0.01 0.49 -0.03 0.87 -0.57 0.00 0.00 179.45 180.20 1wh4 h LYS 41 N 0.77 0.21 -0.38 3.15 1.57 -1.19 -2.73 116.57 117.96 1wh4 h LYS 41 Ca 0.38 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 59.10 1wh4 h LYS 41 Cb 0.33 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1wh4 h LYS 41 CO -0.24 0.52 0.20 1.25 -0.57 0.00 0.00 179.45 180.61 1wh4 h LEU 42 N -0.12 0.29 -0.18 2.94 7.12 -0.74 0.09 115.31 124.70 1wh4 h LEU 42 Ca 0.03 0.02 0.04 0.00 0.13 0.00 0.00 57.88 58.09 1wh4 h LEU 42 Cb 0.45 -0.04 -0.07 0.00 -0.53 0.00 0.00 40.66 40.47 1wh4 h LEU 42 CO 0.01 0.21 -0.49 0.00 -0.13 0.00 0.00 178.44 178.05 1wh4 h ALA 43 N 1.19 -0.72 0.00 1.25 0.00 -1.12 -1.81 119.26 118.06 1wh4 h ALA 43 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1wh4 h ALA 43 Cb 0.06 0.92 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1wh4 h ALA 43 CO -0.11 -1.00 0.00 -0.39 0.00 0.00 0.00 179.25 177.75 1wh4 h VAL 44 N -0.51 0.00 -0.03 0.00 -1.51 -1.16 -2.12 116.25 110.92 1wh4 h VAL 44 Ca 0.06 -0.50 -0.11 0.00 -1.23 0.00 0.00 66.70 64.93 1wh4 h VAL 44 Cb 0.65 1.43 -0.01 0.00 -2.13 0.00 0.00 31.29 31.22 1wh4 h VAL 44 CO -0.45 0.00 -0.49 0.00 -1.23 0.00 0.00 177.57 175.40 1wh4 h ALA 45 N 2.11 1.13 -1.50 5.19 0.00 -0.34 -3.42 119.26 122.43 1wh4 h ALA 45 Ca 0.00 -0.45 -0.56 0.00 0.00 0.00 0.00 54.91 53.90 1wh4 h ALA 45 Cb 0.55 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.17 1wh4 h ALA 45 CO 0.00 0.63 0.93 0.42 0.00 0.00 0.00 179.25 181.23 1wh4 s ILE 46 N -3.93 3.94 -0.06 0.00 1.01 -0.74 -5.00 121.20 116.42 1wh4 s ILE 46 Ca -0.03 0.46 -0.08 0.00 0.00 0.00 0.00 60.65 61.00 1wh4 s ILE 46 Cb 0.13 -4.80 -0.04 0.00 0.01 0.00 0.00 42.46 37.76 1wh4 s ILE 46 CO 0.76 -1.59 0.22 -0.54 0.00 0.00 0.00 174.94 173.79 1wh4 s LYS 47 N 5.16 3.57 1.05 2.79 3.01 -1.26 -1.40 119.74 132.65 1wh4 s LYS 47 Ca 0.36 -0.02 -0.17 0.00 -1.01 0.00 0.00 55.97 55.13 1wh4 s LYS 47 Cb -0.09 -3.17 0.06 0.00 -1.01 0.00 0.00 37.83 33.62 1wh4 s LYS 47 CO 0.18 0.73 0.05 1.63 0.51 0.00 0.00 175.35 178.45 1wh4 n LYS 48 N 1.71 -0.98 -0.30 1.68 5.02 0.85 -4.80 118.16 121.34 1wh4 n LYS 48 Ca -0.16 -0.26 0.04 0.00 -2.02 0.00 0.00 58.31 55.91 1wh4 n LYS 48 Cb 0.54 -1.70 0.19 0.00 -0.02 0.00 0.00 35.03 34.04 1wh4 n LYS 48 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1wh4 h PRO 49 N -1.79 0.75 0.00 1.97 0.11 -1.99 0.02 132.00 131.06 1wh4 h PRO 49 Ca -0.49 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 1wh4 h PRO 49 Cb 1.33 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1wh4 h PRO 49 CO 0.35 0.50 -0.01 1.03 -0.21 0.00 0.00 178.00 179.66 1wh4 h SER 50 N 0.77 0.00 0.00 -2.05 0.87 -2.05 -3.46 113.55 107.63 1wh4 h SER 50 Ca 0.42 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 1wh4 h SER 50 Cb 0.44 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1wh4 h SER 50 CO -0.27 0.01 0.00 0.61 -0.53 0.00 0.00 176.83 176.64 1wh4 n GLY 51 N -0.93 0.73 3.76 5.77 0.00 -0.01 -5.08 105.19 109.43 1wh4 n GLY 51 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.60 5.18 -0.04 1.61 1.01 -1.26 -4.74 116.67 115.83 1wh4 s ASP 52 Ca 0.00 2.31 -0.30 0.00 0.71 0.00 0.00 52.55 55.27 1wh4 s ASP 52 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 1wh4 s ASP 52 CO 0.00 -1.59 1.18 -1.81 0.21 0.00 0.00 175.17 173.16 1wh4 s ASP 53 N -1.75 7.08 0.19 0.27 1.11 -1.26 -0.11 116.67 122.20 1wh4 s ASP 53 Ca 0.75 1.83 0.17 0.00 0.18 0.00 0.00 52.55 55.48 1wh4 s ASP 53 Cb -0.28 -2.56 0.80 0.00 1.07 0.00 0.00 42.92 41.95 1wh4 s ASP 53 CO 0.34 -0.55 1.52 0.54 1.18 0.00 0.00 175.17 178.20 1wh4 n ARG 54 N 4.93 0.11 -3.92 8.23 1.74 -0.50 -4.66 116.66 122.59 1wh4 n ARG 54 Ca 0.10 0.49 -0.12 0.00 -0.77 0.00 0.00 57.85 57.56 1wh4 n ARG 54 Cb 0.47 -1.77 -0.13 0.00 -1.02 0.00 0.00 32.46 30.00 1wh4 n ARG 54 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1wh4 s TYR 55 N -3.29 0.12 0.41 -1.55 1.51 -1.26 -5.08 117.35 108.21 1wh4 s TYR 55 Ca 0.01 -0.15 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 1wh4 s TYR 55 Cb 0.06 -0.08 -0.00 0.00 -0.11 0.00 0.00 41.96 41.83 1wh4 s TYR 55 CO 0.23 -0.05 0.00 0.27 -1.11 0.00 0.00 175.55 174.89 1wh4 n ASN 56 N 2.66 3.10 0.05 2.29 6.94 -1.26 -4.77 115.26 124.27 1wh4 n ASN 56 Ca -0.15 -2.81 0.20 0.00 -0.02 0.00 0.00 54.58 51.80 1wh4 n ASN 56 Cb 0.58 0.30 0.73 0.00 -2.36 0.00 0.00 39.78 39.04 1wh4 n ASN 56 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1wh4 h GLN 57 N 0.00 0.00 -0.59 -3.83 1.08 -2.02 0.77 115.11 110.52 1wh4 h GLN 57 Ca -0.34 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 56.89 1wh4 h GLN 57 Cb 1.04 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.43 1wh4 h GLN 57 CO 0.57 0.00 0.35 0.35 -0.95 0.00 0.00 178.83 179.15 1wh4 h PHE 58 N 0.00 0.66 0.11 2.96 3.57 -1.99 0.18 116.94 122.42 1wh4 h PHE 58 Ca 0.22 0.02 -0.28 0.00 3.53 0.00 0.00 57.97 61.46 1wh4 h PHE 58 Cb 0.98 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 1wh4 h PHE 58 CO 0.00 0.36 -1.34 0.45 -2.23 0.00 0.00 178.31 175.55 1wh4 h HIS 59 N 0.69 0.42 -0.27 0.41 3.86 -1.29 -3.03 115.15 115.94 1wh4 h HIS 59 Ca 0.24 -0.31 0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1wh4 h HIS 59 Cb 0.05 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 1wh4 h HIS 59 CO -0.06 1.28 0.14 0.82 0.86 0.00 0.00 177.93 180.97 1wh4 h ILE 60 N 0.06 1.01 -0.87 2.45 1.08 -1.10 -0.62 117.51 119.52 1wh4 h ILE 60 Ca -0.17 -0.10 0.13 0.00 -0.39 0.00 0.00 64.86 64.33 1wh4 h ILE 60 Cb 1.97 0.68 -0.09 0.00 -3.07 0.00 0.00 36.82 36.32 1wh4 h ILE 60 CO 0.18 0.05 0.49 0.03 -0.69 0.00 0.00 178.15 178.21 1wh4 h ARG 61 N 0.30 0.72 0.06 2.37 2.47 -1.02 0.23 114.38 119.51 1wh4 h ARG 61 Ca 0.11 -0.04 0.02 0.00 -1.26 0.00 0.00 59.98 58.80 1wh4 h ARG 61 Cb 0.02 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.15 1wh4 h ARG 61 CO -0.07 0.48 -0.16 0.00 0.56 0.00 0.00 179.97 180.78 1wh4 h ARG 62 N 0.74 -0.28 -0.43 0.04 2.47 -1.19 -0.15 114.38 115.58 1wh4 h ARG 62 Ca 0.45 0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 59.14 1wh4 h ARG 62 Cb 0.53 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.90 1wh4 h ARG 62 CO -0.31 -0.19 0.06 0.74 0.56 0.00 0.00 179.97 180.84 1wh4 h PHE 63 N -0.30 0.67 -0.61 3.04 0.04 -0.28 -2.50 116.94 117.01 1wh4 h PHE 63 Ca 0.03 -0.06 0.02 0.00 2.80 0.00 0.00 57.97 60.76 1wh4 h PHE 63 Cb 0.33 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.25 1wh4 h PHE 63 CO -0.19 0.60 0.39 0.93 -0.60 0.00 0.00 178.31 179.45 1wh4 h GLU 64 N 0.63 0.76 -0.14 1.51 5.08 -0.25 -1.74 114.58 120.43 1wh4 h GLU 64 Ca 0.14 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1wh4 h GLU 64 Cb 0.30 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1wh4 h GLU 64 CO 0.00 0.50 0.18 0.00 -1.00 0.00 0.00 179.01 178.70 1wh4 h ALA 65 N 1.24 1.68 0.40 3.43 0.00 -0.56 0.26 119.26 125.70 1wh4 h ALA 65 Ca 0.23 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1wh4 h ALA 65 Cb -0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1wh4 h ALA 65 CO -0.07 -0.26 -0.19 -0.07 0.00 0.00 0.00 179.25 178.66 1wh4 h LEU 66 N 0.00 -0.45 -1.50 0.00 3.38 -1.27 -3.07 115.31 112.40 1wh4 h LEU 66 Ca 0.07 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1wh4 h LEU 66 Cb 0.43 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1wh4 h LEU 66 CO -0.00 -0.22 0.34 0.17 0.09 0.00 0.00 178.44 178.82 1wh4 h LEU 67 N -0.73 0.58 -0.29 1.67 8.10 -1.19 0.43 115.31 123.88 1wh4 h LEU 67 Ca -0.05 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.92 1wh4 h LEU 67 Cb 0.41 -0.14 0.00 0.00 -0.44 0.00 0.00 40.66 40.48 1wh4 h LEU 67 CO 0.09 0.42 0.00 0.00 -4.11 0.00 0.00 178.44 174.84 1wh4 n GLN 68 N -4.46 0.07 0.00 0.17 1.13 0.01 -2.40 117.38 111.90 1wh4 n GLN 68 Ca 0.05 0.34 0.00 0.00 -1.94 0.00 0.00 57.00 55.45 1wh4 n GLN 68 Cb 0.06 -1.64 0.00 0.00 0.11 0.00 0.00 30.24 28.77 1wh4 n GLN 68 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1wh4 n THR 69 N -1.77 0.00 0.00 5.09 -2.24 -0.12 -5.05 114.28 110.18 1wh4 n THR 69 Ca 0.03 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1wh4 n THR 69 Cb 0.17 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 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 0.57 0.74 3.85 3.38 0.00 0.13 -5.07 105.19 108.79 1wh4 n GLY 70 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.53 3.61 -0.41 1.61 3.01 -0.47 -4.88 119.74 121.68 1wh4 s LYS 71 Ca 0.00 0.86 -0.24 0.00 -1.01 0.00 0.00 55.97 55.58 1wh4 s LYS 71 Cb 0.00 -2.08 0.02 0.00 -1.01 0.00 0.00 37.83 34.76 1wh4 s LYS 71 CO 0.00 -0.56 0.81 0.45 0.51 0.00 0.00 175.35 176.56 1wh4 s SER 72 N -3.74 6.49 0.49 2.83 0.15 -1.26 -2.83 113.70 115.82 1wh4 s SER 72 Ca 0.57 0.13 0.19 0.00 0.70 0.00 0.00 55.95 57.54 1wh4 s SER 72 Cb -0.11 -2.40 1.22 0.00 -1.71 0.00 0.00 66.02 63.01 1wh4 s SER 72 CO 0.47 -0.86 2.06 1.55 1.20 0.00 0.00 173.24 177.66 1wh4 h PRO 73 N 8.78 0.00 0.20 5.44 0.13 -1.92 -2.43 132.00 142.20 1wh4 h PRO 73 Ca -0.25 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.89 1wh4 h PRO 73 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1wh4 h PRO 73 CO 0.95 0.12 -0.21 1.15 -0.23 0.00 0.00 178.00 179.78 1wh4 h THR 74 N 0.00 0.53 -0.08 1.56 2.02 -1.92 -0.15 112.91 114.87 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 0.23 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1wh4 h THR 74 CO 0.02 0.00 0.04 0.00 0.37 0.00 0.00 175.52 175.94 1wh4 h GLU 76 N -0.00 0.71 0.27 0.00 4.39 -1.48 -1.58 114.58 116.89 1wh4 h GLU 76 Ca 0.03 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1wh4 h GLU 76 Cb 0.14 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1wh4 h GLU 76 CO -0.00 0.47 -0.13 1.25 -1.16 0.00 0.00 179.01 179.44 1wh4 h LEU 77 N 0.73 -0.30 -0.80 1.33 5.85 -0.69 -1.38 115.31 120.05 1wh4 h LEU 77 Ca 0.24 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1wh4 h LEU 77 Cb 0.01 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1wh4 h LEU 77 CO -0.09 -0.04 0.53 -0.07 -0.34 0.00 0.00 178.44 178.42 1wh4 h LEU 78 N -0.56 0.92 -0.27 2.25 3.38 -1.04 0.19 115.31 120.18 1wh4 h LEU 78 Ca -0.04 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1wh4 h LEU 78 Cb 0.41 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1wh4 h LEU 78 CO 0.06 0.67 -0.06 0.15 0.09 0.00 0.00 178.44 179.35 1wh4 h PHE 79 N 1.09 0.57 -0.23 1.13 3.04 -1.22 -2.49 116.94 118.82 1wh4 h PHE 79 Ca 0.29 -0.12 -0.02 0.00 3.98 0.00 0.00 57.97 62.10 1wh4 h PHE 79 Cb -0.12 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.24 1wh4 h PHE 79 CO -0.02 0.72 0.05 0.22 -2.02 0.00 0.00 178.31 177.26 1wh4 h ASP 80 N 0.26 0.35 0.02 0.41 3.58 -1.00 -2.69 116.42 117.35 1wh4 h ASP 80 Ca 0.07 -0.24 -0.00 0.00 0.42 0.00 0.00 57.03 57.27 1wh4 h ASP 80 Cb 0.53 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 1wh4 h ASP 80 CO 0.03 0.50 -0.02 -0.25 -2.88 0.00 0.00 179.24 176.62 1wh4 h TRP 81 N 0.19 0.00 -0.51 0.28 7.01 -0.99 0.11 115.95 122.04 1wh4 h TRP 81 Ca 0.07 0.00 0.15 0.00 2.11 0.00 0.00 58.89 61.22 1wh4 h TRP 81 Cb 0.29 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.33 1wh4 h TRP 81 CO 0.01 0.02 0.38 0.78 -2.79 0.00 0.00 178.44 176.85 1wh4 h GLY 82 N 0.06 0.00 0.99 2.65 0.00 -1.09 -1.18 103.07 104.50 1wh4 h GLY 82 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wh4 h GLY 82 CO 0.00 0.00 -0.82 2.41 0.00 0.00 0.00 176.54 178.13 1wh4 n THR 83 N -4.28 0.38 0.76 4.70 -1.04 0.37 -2.04 114.28 113.14 1wh4 n THR 83 Ca 0.09 -0.34 0.08 0.00 -2.04 0.00 0.00 64.05 61.84 1wh4 n THR 83 Cb 0.60 -0.11 0.40 0.00 -1.82 0.00 0.00 70.33 69.40 1wh4 n THR 83 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1wh4 n THR 84 N -2.23 0.51 -2.27 12.58 -1.04 -0.46 -4.94 114.28 116.43 1wh4 n THR 84 Ca 0.02 0.13 -0.05 0.00 -2.04 0.00 0.00 64.05 62.11 1wh4 n THR 84 Cb 0.47 -0.87 0.03 0.00 -1.82 0.00 0.00 70.33 68.14 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 -1.26 -2.71 -4.59 8.00 4.13 -0.86 -5.08 115.26 112.88 1wh4 n ASN 85 Ca 0.08 -0.21 -0.28 0.00 1.68 0.00 0.00 54.58 55.84 1wh4 n ASN 85 Cb 0.12 -2.00 -0.10 0.00 -1.54 0.00 0.00 39.78 36.26 1wh4 n ASN 85 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wh4 s THR 87 N -2.90 0.90 0.25 0.00 -4.23 -1.26 -1.90 115.64 106.51 1wh4 s THR 87 Ca 0.27 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.72 1wh4 s THR 87 Cb 0.07 -2.65 0.25 0.00 1.34 0.00 0.00 72.50 71.51 1wh4 s THR 87 CO 0.13 0.00 1.91 0.58 -0.54 0.00 0.00 174.62 176.70 1wh4 h VAL 88 N 2.10 1.19 -0.07 2.29 2.07 -0.51 -1.05 116.25 122.27 1wh4 h VAL 88 Ca -0.39 -0.43 -0.15 0.00 0.82 0.00 0.00 66.70 66.55 1wh4 h VAL 88 Cb 1.25 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1wh4 h VAL 88 CO 0.64 0.23 -0.63 1.23 0.02 0.00 0.00 177.57 179.06 1wh4 h GLY 89 N 1.26 0.27 0.79 2.17 0.00 -1.13 -0.82 103.07 105.61 1wh4 h GLY 89 Ca 0.38 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 1wh4 h GLY 89 CO -0.11 0.31 -0.23 -1.80 0.00 0.00 0.00 176.54 174.70 1wh4 h ASP 90 N 0.18 -0.61 0.30 0.19 1.82 -1.65 -2.95 116.42 113.70 1wh4 h ASP 90 Ca -0.01 0.05 -0.00 0.00 -0.39 0.00 0.00 57.03 56.68 1wh4 h ASP 90 Cb 1.15 0.20 -0.04 0.00 0.68 0.00 0.00 39.33 41.32 1wh4 h ASP 90 CO 0.10 -0.35 -0.52 0.25 -1.61 0.00 0.00 179.24 177.10 1wh4 h LEU 91 N -0.53 -1.51 -0.72 2.28 5.85 -0.87 -2.42 115.31 117.38 1wh4 h LEU 91 Ca -0.02 0.14 0.16 0.00 0.84 0.00 0.00 57.88 59.00 1wh4 h LEU 91 Cb 0.47 0.53 -0.12 0.00 0.37 0.00 0.00 40.66 41.92 1wh4 h LEU 91 CO -0.02 -0.61 0.06 0.58 -0.34 0.00 0.00 178.44 178.11 1wh4 h VAL 92 N -0.88 0.42 -0.70 1.05 2.07 -1.24 0.66 116.25 117.64 1wh4 h VAL 92 Ca -0.03 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.50 1wh4 h VAL 92 Cb 0.82 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 1wh4 h VAL 92 CO -0.19 0.03 0.39 -0.78 0.02 0.00 0.00 177.57 177.04 1wh4 h ASP 93 N 0.15 0.58 -0.00 0.57 3.58 -1.25 -0.82 116.42 119.23 1wh4 h ASP 93 Ca 0.39 0.03 -0.25 0.00 0.42 0.00 0.00 57.03 57.63 1wh4 h ASP 93 Cb 0.68 -0.08 0.02 0.00 1.72 0.00 0.00 39.33 41.67 1wh4 h ASP 93 CO -0.59 0.37 -0.96 -0.07 -2.88 0.00 0.00 179.24 175.10 1wh4 h LEU 94 N 0.71 0.88 -0.67 2.28 3.38 -1.31 -2.98 115.31 117.61 1wh4 h LEU 94 Ca 0.32 -0.67 0.04 0.00 0.09 0.00 0.00 57.88 57.66 1wh4 h LEU 94 Cb 0.21 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1wh4 h LEU 94 CO -0.19 1.47 0.41 -0.07 0.09 0.00 0.00 178.44 180.14 1wh4 h LEU 95 N 0.42 0.65 -0.97 1.67 3.38 0.01 -0.99 115.31 119.48 1wh4 h LEU 95 Ca -0.10 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1wh4 h LEU 95 Cb 1.61 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 1wh4 h LEU 95 CO 0.19 0.44 -0.20 0.58 0.09 0.00 0.00 178.44 179.53 1wh4 h VAL 96 N 0.78 1.25 0.00 1.22 2.07 -1.25 0.53 116.25 120.86 1wh4 h VAL 96 Ca 0.28 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 1wh4 h VAL 96 Cb 0.07 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1wh4 h VAL 96 CO -0.13 0.38 -0.08 0.06 0.02 0.00 0.00 177.57 177.83 1wh4 h GLN 97 N 0.46 0.00 -0.55 1.57 3.07 -1.04 -1.15 115.11 117.47 1wh4 h GLN 97 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.81 1wh4 h GLN 97 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.17 1wh4 h GLN 97 CO 0.04 0.08 0.00 0.44 0.09 0.00 0.00 178.83 179.48 1wh4 n ILE 98 N -3.63 2.05 -1.02 1.86 -5.35 -0.78 -4.95 119.36 107.55 1wh4 n ILE 98 Ca -0.02 -1.34 -0.01 0.00 -0.27 0.00 0.00 62.75 61.11 1wh4 n ILE 98 Cb 0.19 0.01 -0.00 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 0.70 -1.25 -1.98 6.28 4.07 -0.44 -4.91 120.64 123.13 1wh4 n GLU 99 Ca 0.24 0.34 -0.42 0.00 -0.06 0.00 0.00 57.16 57.26 1wh4 n GLU 99 Cb 0.92 -4.30 0.00 0.00 -0.06 0.00 0.00 31.44 28.01 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 -0.06 6.53 -0.05 4.31 7.99 0.15 -4.73 117.00 131.14 1wh4 n LEU 100 Ca -0.01 -4.21 -0.09 0.00 -0.01 0.00 0.00 56.01 51.70 1wh4 n LEU 100 Cb 0.32 -1.64 0.07 0.00 -0.11 0.00 0.00 43.42 42.06 1wh4 n LEU 100 CO 0.01 1.02 0.60 -0.26 -1.51 0.00 0.00 177.39 177.25 1wh4 h PHE 101 N 6.19 0.83 0.05 -1.77 0.04 -1.91 -2.82 116.94 117.55 1wh4 h PHE 101 Ca 0.52 -0.23 0.01 0.00 2.80 0.00 0.00 57.97 61.07 1wh4 h PHE 101 Cb 0.67 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.61 1wh4 h PHE 101 CO 1.41 0.96 -0.40 0.00 -0.60 0.00 0.00 178.31 179.68 1wh4 h ALA 102 N 1.01 -0.87 0.00 2.45 0.00 -1.96 0.90 119.26 120.79 1wh4 h ALA 102 Ca 0.06 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1wh4 h ALA 102 Cb 0.89 0.82 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1wh4 h ALA 102 CO 0.08 -0.98 -0.47 -1.00 0.00 0.00 0.00 179.25 176.88 1wh4 h PRO 103 N -0.54 0.00 -0.09 0.00 0.13 -1.94 -0.76 132.00 128.80 1wh4 h PRO 103 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.16 1wh4 h PRO 103 Cb 0.56 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.65 1wh4 h PRO 103 CO -0.24 0.47 -0.12 0.00 -0.23 0.00 0.00 178.00 177.88 1wh4 h ALA 104 N 1.53 -0.06 -0.71 -0.56 0.00 -1.35 -2.65 119.26 115.46 1wh4 h ALA 104 Ca -0.00 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1wh4 h ALA 104 Cb 0.99 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1wh4 h ALA 104 CO 0.06 -0.58 0.33 1.15 0.00 0.00 0.00 179.25 180.21 1wh4 h THR 105 N -0.15 1.23 -0.71 0.00 2.02 -0.31 0.73 112.91 115.71 1wh4 h THR 105 Ca 0.07 -0.66 0.02 0.00 0.77 0.00 0.00 66.41 66.61 1wh4 h THR 105 Cb 0.26 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 1wh4 h THR 105 CO -0.18 0.28 0.47 0.25 0.37 0.00 0.00 175.52 176.71 1wh4 h LEU 106 N 1.01 0.79 0.01 2.58 5.85 -0.89 -1.67 115.31 122.99 1wh4 h LEU 106 Ca 0.24 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.86 1wh4 h LEU 106 Cb 0.12 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1wh4 h LEU 106 CO -0.03 0.56 -0.49 -0.07 -0.34 0.00 0.00 178.44 178.07 1wh4 h LEU 107 N 0.92 0.04 -6.49 2.25 3.38 -1.09 -3.46 115.31 110.87 1wh4 h LEU 107 Ca 0.27 -0.84 -0.40 0.00 0.09 0.00 0.00 57.88 57.00 1wh4 h LEU 107 Cb -0.04 -0.01 -0.34 0.00 0.09 0.00 0.00 40.66 40.36 1wh4 h LEU 107 CO -0.07 1.20 -0.70 -0.76 0.09 0.00 0.00 178.44 178.20 1wh4 s LEU 108 N -8.06 0.08 0.56 1.67 1.43 0.20 -3.41 118.68 111.14 1wh4 s LEU 108 Ca -0.22 -1.32 0.31 0.00 -1.03 0.00 0.00 54.13 51.88 1wh4 s LEU 108 Cb 0.00 0.31 1.68 0.00 0.03 0.00 0.00 46.19 48.21 1wh4 s LEU 108 CO 0.67 -0.34 2.15 -0.65 0.23 0.00 0.00 176.35 178.42 1wh4 h PRO 109 N 7.66 0.00 0.05 1.29 0.11 -1.49 -2.73 132.00 136.89 1wh4 h PRO 109 Ca -0.05 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.80 1wh4 h PRO 109 Cb 1.05 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1wh4 h PRO 109 CO 0.29 0.07 -1.36 -0.44 -0.21 0.00 0.00 178.00 176.34 1wh4 h ASP 110 N 0.00 0.17 0.44 -2.05 3.32 -1.92 -3.37 116.42 113.01 1wh4 h ASP 110 Ca -0.00 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1wh4 h ASP 110 Cb 0.23 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1wh4 h ASP 110 CO 0.01 1.19 0.00 0.00 -1.72 0.00 0.00 179.24 178.72 1wh4 n ALA 111 N -2.52 1.96 -2.81 3.45 0.00 -1.03 -4.69 120.51 114.87 1wh4 n ALA 111 Ca -0.10 -0.08 -0.36 0.00 0.00 0.00 0.00 53.44 52.90 1wh4 n ALA 111 Cb 1.01 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 19.10 1wh4 n ALA 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wh4 s VAL 112 N -2.71 5.38 -1.24 0.00 0.11 -1.25 -5.00 120.40 115.69 1wh4 s VAL 112 Ca 0.15 0.20 -0.11 0.00 -2.93 0.00 0.00 61.98 59.30 1wh4 s VAL 112 Cb 0.12 -3.51 -0.06 0.00 -1.53 0.00 0.00 36.38 31.40 1wh4 s VAL 112 CO 0.30 0.48 2.42 -0.81 -3.33 0.00 0.00 175.10 174.16 1wh4 n PRO 113 N 1.51 2.72 -3.23 1.54 -0.04 -1.26 -4.68 135.00 131.55 1wh4 n PRO 113 Ca -0.15 -1.95 -0.11 0.00 -0.04 0.00 0.00 63.50 61.25 1wh4 n PRO 113 Cb 0.54 -2.77 -0.04 0.00 -0.04 0.00 0.00 33.50 31.19 1wh4 n PRO 113 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1wh4 n GLN 114 N 4.63 0.27 -4.31 0.54 1.13 -1.26 -5.19 117.38 113.19 1wh4 n GLN 114 Ca 0.59 -1.84 -0.18 0.00 -1.94 0.00 0.00 57.00 53.63 1wh4 n GLN 114 Cb 0.24 1.46 -0.10 0.00 0.11 0.00 0.00 30.24 31.95 1wh4 n GLN 114 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1wh4 s THR 115 N -2.71 1.56 -0.50 5.09 -4.23 -1.26 -4.94 115.64 108.64 1wh4 s THR 115 Ca 0.21 -2.06 0.04 0.00 -1.18 0.00 0.00 61.69 58.69 1wh4 s THR 115 Cb 0.01 -1.89 0.16 0.00 1.34 0.00 0.00 72.50 72.12 1wh4 s THR 115 CO 0.15 -0.57 0.35 0.68 -0.54 0.00 0.00 174.62 174.69 1wh4 s VAL 116 N -2.80 1.37 0.63 2.29 -7.23 -1.26 -5.11 120.40 108.29 1wh4 s VAL 116 Ca 0.18 -3.06 -0.13 0.00 -1.81 0.00 0.00 61.98 57.16 1wh4 s VAL 116 Cb -0.01 -1.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 1wh4 s VAL 116 CO 0.05 -1.07 1.05 -1.59 -0.31 0.00 0.00 175.10 173.23 1wh4 s LYS 117 N -0.26 3.21 0.34 4.82 0.00 -1.26 -4.59 119.74 122.00 1wh4 s LYS 117 Ca 0.26 1.05 0.00 0.00 0.00 0.00 0.00 55.97 57.28 1wh4 s LYS 117 Cb -0.08 -2.02 0.00 0.00 0.00 0.00 0.00 37.83 35.73 1wh4 s LYS 117 CO -0.12 -0.88 0.00 0.43 0.00 0.00 0.00 175.35 174.77 1wh4 n SER 118 N -2.51 -2.52 -4.28 0.03 7.64 -1.26 -5.00 113.62 105.72 1wh4 n SER 118 Ca 0.08 0.63 -0.15 0.00 1.01 0.00 0.00 58.87 60.44 1wh4 n SER 118 Cb 0.53 2.46 -0.10 0.00 -1.01 0.00 0.00 64.21 66.09 1wh4 n SER 118 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1wh4 s LEU 119 N -6.51 2.31 1.12 -3.43 2.34 -1.26 -4.99 118.68 108.24 1wh4 s LEU 119 Ca 0.00 -1.13 -0.16 0.00 0.06 0.00 0.00 54.13 52.90 1wh4 s LEU 119 Cb 0.00 -0.25 0.25 0.00 -0.56 0.00 0.00 46.19 45.63 1wh4 s LEU 119 CO 0.00 -0.46 1.10 -2.16 -1.06 0.00 0.00 176.35 173.77 1wh4 s PRO 120 N -3.83 -0.53 0.00 1.48 0.04 -1.26 -3.70 135.00 127.20 1wh4 s PRO 120 Ca 0.23 0.21 0.07 0.00 0.04 0.00 0.00 61.00 61.55 1wh4 s PRO 120 Cb 0.05 -1.65 0.44 0.00 0.04 0.00 0.00 34.50 33.37 1wh4 s PRO 120 CO 0.04 -3.30 0.95 -0.35 0.04 0.00 0.00 177.00 174.38 1wh4 n PRO 121 N -4.52 0.59 -1.62 0.56 -0.04 -1.26 -4.80 135.00 123.91 1wh4 n PRO 121 Ca 0.09 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.16 1wh4 n PRO 121 Cb 0.58 -1.19 0.03 0.00 -0.04 0.00 0.00 33.50 32.88 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 -0.69 1.15 0.00 3.54 7.64 -1.26 -4.94 113.62 119.06 1wh4 n SER 122 Ca 0.05 0.92 0.00 0.00 1.01 0.00 0.00 58.87 60.86 1wh4 n SER 122 Cb 0.03 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 61.83 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 1.19 -1.51 3.82 0.23 0.00 -1.26 -5.16 105.19 102.51 1wh4 n GLY 123 Ca 0.11 0.59 -0.31 0.00 0.00 0.00 0.00 46.02 46.41 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 0.00 3.17 0.29 1.61 0.04 -1.26 -5.10 135.00 133.76 1wh4 s PRO 124 Ca 0.00 0.98 -0.16 0.00 0.04 0.00 0.00 61.00 61.86 1wh4 s PRO 124 Cb 0.00 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.54 1wh4 s PRO 124 CO 0.00 -0.91 0.64 -1.12 0.04 0.00 0.00 177.00 175.64 1wh4 s SER 125 N -3.58 -0.08 -0.13 6.66 0.01 -1.26 -5.18 113.70 110.14 1wh4 s SER 125 Ca 0.59 -0.87 -0.22 0.00 1.31 0.00 0.00 55.95 56.76 1wh4 s SER 125 Cb -0.14 0.70 0.05 0.00 0.21 0.00 0.00 66.02 66.85 1wh4 s SER 125 CO 0.49 -1.34 0.55 -0.44 0.41 0.00 0.00 173.24 172.92 1wh4 s SER 126 N -3.00 -0.54 0.00 2.44 0.01 -1.26 -5.35 113.70 106.00 1wh4 s SER 126 Ca 0.17 0.83 0.00 0.00 1.31 0.00 0.00 55.95 58.25 1wh4 s SER 126 Cb -0.04 0.83 0.00 0.00 0.21 0.00 0.00 66.02 67.02 1wh4 s SER 126 CO 0.09 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 173.99