#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 -0.21 0.09 1.61 1.04 -1.26 -5.18 113.70 109.79 1wh4 s SER 2 Ca 0.00 -0.48 -0.02 0.00 0.48 0.00 0.00 55.95 55.93 1wh4 s SER 2 Cb 0.00 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.65 1wh4 s SER 2 CO 0.00 -0.97 0.16 -1.20 0.98 0.00 0.00 173.24 172.22 1wh4 n SER 3 N -0.29 -0.47 -0.98 7.02 7.64 -1.26 -5.14 113.62 120.14 1wh4 n SER 3 Ca -0.12 -1.43 0.00 0.00 1.01 0.00 0.00 58.87 58.33 1wh4 n SER 3 Cb 0.63 0.82 0.00 0.00 -1.01 0.00 0.00 64.21 64.65 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 -0.14 -1.90 2.91 0.23 0.00 -1.26 -5.08 105.19 99.95 1wh4 n GLY 4 Ca -0.01 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 1wh4 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wh4 s SER 5 N 0.00 3.75 0.05 1.61 1.04 -1.26 -5.13 113.70 113.76 1wh4 s SER 5 Ca 0.00 -1.16 0.06 0.00 0.48 0.00 0.00 55.95 55.33 1wh4 s SER 5 Cb 0.00 -1.11 -0.02 0.00 0.10 0.00 0.00 66.02 64.99 1wh4 s SER 5 CO 0.00 -0.25 -0.18 -0.44 0.98 0.00 0.00 173.24 173.35 1wh4 s SER 6 N 1.45 2.15 0.96 7.02 0.01 -1.26 -5.15 113.70 118.88 1wh4 s SER 6 Ca -0.05 -0.51 -0.12 0.00 1.31 0.00 0.00 55.95 56.59 1wh4 s SER 6 Cb -0.19 -0.16 0.17 0.00 0.21 0.00 0.00 66.02 66.05 1wh4 s SER 6 CO -0.07 0.10 1.09 -0.83 0.41 0.00 0.00 173.24 173.94 1wh4 s GLY 7 N -1.23 1.60 -0.04 3.44 0.00 -1.26 -5.07 107.32 104.76 1wh4 s GLY 7 Ca 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 44.72 44.68 1wh4 s GLY 7 CO 0.02 0.46 0.03 1.06 0.00 0.00 0.00 173.10 174.66 1wh4 s MET 8 N -4.84 0.18 0.81 2.90 1.00 -1.26 -5.15 119.30 112.92 1wh4 s MET 8 Ca 0.65 0.20 -0.12 0.00 0.00 0.00 0.00 55.69 56.42 1wh4 s MET 8 Cb -0.20 -0.55 0.08 0.00 0.00 0.00 0.00 34.83 34.17 1wh4 s MET 8 CO 0.58 -0.24 1.16 1.21 0.00 0.00 0.00 175.02 177.74 1wh4 s ASN 9 N 1.61 3.77 0.21 3.03 2.47 -1.26 -4.74 114.94 120.04 1wh4 s ASN 9 Ca -0.02 2.20 -0.32 0.00 0.42 0.00 0.00 52.86 55.15 1wh4 s ASN 9 Cb -0.13 -2.57 -0.12 0.00 -1.45 0.00 0.00 41.25 36.99 1wh4 s ASN 9 CO -0.03 -2.54 1.69 -0.54 -3.72 0.00 0.00 177.10 171.96 1wh4 s LYS 10 N -4.35 4.13 0.00 0.43 1.02 -1.26 -5.03 119.74 114.68 1wh4 s LYS 10 Ca 0.69 2.58 0.00 0.00 0.02 0.00 0.00 55.97 59.26 1wh4 s LYS 10 Cb -0.25 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 33.99 1wh4 s LYS 10 CO 0.52 -0.72 0.00 -0.35 -0.92 0.00 0.00 175.35 173.88 1wh4 n PRO 11 N 3.74 1.01 -2.02 -1.68 -0.04 -1.26 -5.02 135.00 129.73 1wh4 n PRO 11 Ca 0.15 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.20 1wh4 n PRO 11 Cb 0.36 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.81 1wh4 n PRO 11 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wh4 s LEU 12 N 0.00 4.29 0.54 1.53 2.01 -1.22 -5.01 118.68 120.82 1wh4 s LEU 12 Ca 0.00 2.75 -0.20 0.00 0.01 0.00 0.00 54.13 56.68 1wh4 s LEU 12 Cb 0.00 -3.79 -0.05 0.00 0.01 0.00 0.00 46.19 42.36 1wh4 s LEU 12 CO 0.00 -0.77 1.20 0.42 1.01 0.00 0.00 176.35 178.20 1wh4 s THR 13 N -1.20 2.81 0.25 5.49 -4.23 -1.26 -4.71 115.64 112.79 1wh4 s THR 13 Ca 0.54 0.54 -0.03 0.00 -1.18 0.00 0.00 61.69 61.56 1wh4 s THR 13 Cb -0.40 -3.24 0.13 0.00 1.34 0.00 0.00 72.50 70.33 1wh4 s THR 13 CO 0.53 -0.07 1.78 1.55 -0.54 0.00 0.00 174.62 177.86 1wh4 h PRO 14 N 1.32 0.88 0.00 3.99 0.13 -1.93 -2.88 132.00 133.52 1wh4 h PRO 14 Ca -0.50 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 1wh4 h PRO 14 Cb 1.28 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1wh4 h PRO 14 CO 0.57 0.82 0.00 0.77 -0.23 0.00 0.00 178.00 179.93 1wh4 h SER 15 N 0.84 0.00 -3.97 1.44 0.02 -1.94 0.13 113.55 110.06 1wh4 h SER 15 Ca 0.17 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.58 1wh4 h SER 15 Cb 0.37 0.00 0.11 0.00 0.14 0.00 0.00 62.40 63.02 1wh4 h SER 15 CO 0.01 0.00 0.73 -0.89 -1.14 0.00 0.00 176.83 175.53 1wh4 s THR 16 N -3.69 2.10 0.49 -2.27 2.01 -1.09 -4.75 115.64 108.44 1wh4 s THR 16 Ca -0.00 0.09 -0.20 0.00 0.31 0.00 0.00 61.69 61.89 1wh4 s THR 16 Cb 0.10 -3.05 -0.08 0.00 0.01 0.00 0.00 72.50 69.47 1wh4 s THR 16 CO 0.42 0.02 1.06 -0.31 -0.69 0.00 0.00 174.62 175.12 1wh4 s TYR 17 N -1.17 2.93 0.24 4.92 2.02 -1.26 -0.26 117.35 124.76 1wh4 s TYR 17 Ca 0.57 1.57 -0.05 0.00 -0.37 0.00 0.00 57.07 58.79 1wh4 s TYR 17 Cb -0.44 -3.12 0.41 0.00 -0.40 0.00 0.00 41.96 38.40 1wh4 s TYR 17 CO 0.59 -1.00 1.76 0.82 -1.57 0.00 0.00 175.55 176.14 1wh4 h ILE 18 N 1.51 0.76 0.00 2.71 1.08 -1.83 -1.46 117.51 120.29 1wh4 h ILE 18 Ca -0.50 -0.19 -0.00 0.00 -0.39 0.00 0.00 64.86 63.79 1wh4 h ILE 18 Cb 1.23 0.17 -0.00 0.00 -3.07 0.00 0.00 36.82 35.15 1wh4 h ILE 18 CO 0.59 0.10 -0.01 0.08 -0.69 0.00 0.00 178.15 178.21 1wh4 h ARG 19 N 0.54 0.00 -0.01 2.37 0.11 -1.85 -0.33 114.38 115.21 1wh4 h ARG 19 Ca 0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.47 1wh4 h ARG 19 Cb 0.50 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.58 1wh4 h ARG 19 CO -0.33 0.01 -0.03 0.09 0.10 0.00 0.00 179.97 179.81 1wh4 n ASN 20 N -3.27 1.14 -4.69 0.08 3.02 -0.55 -4.77 115.26 106.22 1wh4 n ASN 20 Ca -0.02 -1.31 -0.42 0.00 -0.03 0.00 0.00 54.58 52.79 1wh4 n ASN 20 Cb 0.12 0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.26 1wh4 n ASN 20 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wh4 s LEU 21 N -2.07 4.31 0.91 3.41 1.43 -0.13 -5.02 118.68 121.52 1wh4 s LEU 21 Ca 0.38 1.90 -0.11 0.00 -1.03 0.00 0.00 54.13 55.27 1wh4 s LEU 21 Cb 0.21 -3.56 0.11 0.00 0.03 0.00 0.00 46.19 42.98 1wh4 s LEU 21 CO 0.36 -0.57 0.98 -3.20 0.23 0.00 0.00 176.35 174.16 1wh4 n ASN 22 N 4.88 -0.13 -0.34 2.29 5.15 -1.26 -4.64 115.26 121.22 1wh4 n ASN 22 Ca 0.11 0.43 0.24 0.00 -0.60 0.00 0.00 54.58 54.75 1wh4 n ASN 22 Cb 0.46 -1.42 0.51 0.00 -0.53 0.00 0.00 39.78 38.80 1wh4 n ASN 22 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 1wh4 h VAL 23 N -1.67 0.48 -0.17 3.44 3.04 -1.95 0.88 116.25 120.29 1wh4 h VAL 23 Ca -0.44 -0.13 -0.02 0.00 -1.01 0.00 0.00 66.70 65.11 1wh4 h VAL 23 Cb 1.28 0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 30.61 1wh4 h VAL 23 CO 0.40 0.07 0.04 1.23 -1.01 0.00 0.00 177.57 178.30 1wh4 h GLY 24 N 0.38 0.30 1.39 3.17 0.00 -1.98 -0.39 103.07 105.93 1wh4 h GLY 24 Ca 0.63 -0.19 -0.11 0.00 0.00 0.00 0.00 47.33 47.66 1wh4 h GLY 24 CO -0.34 0.17 -0.24 -2.22 0.00 0.00 0.00 176.54 173.91 1wh4 h ILE 25 N 0.09 1.27 -0.80 2.60 5.03 -1.48 -0.79 117.51 123.42 1wh4 h ILE 25 Ca 0.05 -1.34 0.09 0.00 -0.12 0.00 0.00 64.86 63.54 1wh4 h ILE 25 Cb 0.27 1.26 -0.07 0.00 -3.03 0.00 0.00 36.82 35.25 1wh4 h ILE 25 CO 0.00 0.44 0.45 -0.07 -0.68 0.00 0.00 178.15 178.29 1wh4 h LEU 26 N 0.62 0.65 -0.93 1.44 3.38 -0.70 0.34 115.31 120.10 1wh4 h LEU 26 Ca 0.08 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1wh4 h LEU 26 Cb 0.73 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1wh4 h LEU 26 CO 0.06 0.38 -0.33 0.03 0.09 0.00 0.00 178.44 178.67 1wh4 h ARG 27 N 0.77 0.00 -0.13 1.13 2.47 -0.70 -1.47 114.38 116.45 1wh4 h ARG 27 Ca 0.38 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 59.07 1wh4 h ARG 27 Cb 0.33 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.65 1wh4 h ARG 27 CO -0.24 0.33 -0.05 0.87 0.56 0.00 0.00 179.97 181.44 1wh4 h LYS 28 N 0.00 0.26 -0.48 0.04 1.79 0.15 -3.07 116.57 115.25 1wh4 h LYS 28 Ca -0.00 -0.11 0.06 0.00 -2.18 0.00 0.00 60.65 58.42 1wh4 h LYS 28 Cb 0.88 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.46 1wh4 h LYS 28 CO 0.04 0.57 0.19 -0.07 -1.08 0.00 0.00 179.45 179.11 1wh4 h LEU 29 N -0.07 0.22 -1.73 2.94 -0.00 -0.80 -2.05 115.31 113.82 1wh4 h LEU 29 Ca 0.03 0.05 0.08 0.00 -0.00 0.00 0.00 57.88 58.04 1wh4 h LEU 29 Cb 0.49 0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.14 1wh4 h LEU 29 CO 0.02 0.16 0.32 0.77 -0.00 0.00 0.00 178.44 179.71 1wh4 h SER 30 N 0.38 0.28 -0.67 -0.43 4.64 -1.28 0.81 113.55 117.29 1wh4 h SER 30 Ca 0.22 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 1wh4 h SER 30 Cb 0.21 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 1wh4 h SER 30 CO -0.21 0.18 0.39 -0.78 -0.87 0.00 0.00 176.83 175.54 1wh4 h ASP 31 N 0.32 0.83 0.24 4.97 3.58 -1.27 -1.47 116.42 123.62 1wh4 h ASP 31 Ca 0.21 -0.06 -0.30 0.00 0.42 0.00 0.00 57.03 57.31 1wh4 h ASP 31 Cb 0.43 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.22 1wh4 h ASP 31 CO -0.05 0.66 -2.04 0.49 -2.88 0.00 0.00 179.24 175.42 1wh4 n PHE 32 N -4.38 0.43 -0.10 0.28 3.72 -0.68 -4.62 117.46 112.12 1wh4 n PHE 32 Ca 0.07 0.15 -0.10 0.00 -0.05 0.00 0.00 57.45 57.53 1wh4 n PHE 32 Cb 0.09 -1.04 -0.15 0.00 -0.94 0.00 0.00 39.48 37.43 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 -2.83 1.32 0.20 4.37 2.08 0.19 -4.46 119.36 120.23 1wh4 n ILE 33 Ca -0.23 -0.81 -0.14 0.00 0.56 0.00 0.00 62.75 62.13 1wh4 n ILE 33 Cb 1.05 -0.51 -0.08 0.00 -0.75 0.00 0.00 39.64 39.36 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 -0.45 -4.05 4.38 3.58 -1.47 0.20 116.42 118.62 1wh4 h ASP 34 Ca -0.52 -0.11 -0.49 0.00 0.42 0.00 0.00 57.03 56.32 1wh4 h ASP 34 Cb 2.18 0.12 0.17 0.00 1.72 0.00 0.00 39.33 43.51 1wh4 h ASP 34 CO 0.03 -0.11 0.22 -2.16 -2.88 0.00 0.00 179.24 174.33 1wh4 s PRO 35 N -4.91 1.02 -1.52 0.28 0.04 -1.26 -3.15 135.00 125.50 1wh4 s PRO 35 Ca -0.15 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1wh4 s PRO 35 Cb 0.02 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1wh4 s PRO 35 CO 0.54 -2.49 0.00 1.04 0.04 0.00 0.00 177.00 176.14 1wh4 n GLN 36 N -4.09 -1.48 -2.30 4.56 6.02 -1.26 -2.90 117.38 115.94 1wh4 n GLN 36 Ca 0.08 0.85 -0.15 0.00 -0.01 0.00 0.00 57.00 57.77 1wh4 n GLN 36 Cb 0.54 -5.20 -0.01 0.00 1.02 0.00 0.00 30.24 26.59 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 -2.17 -1.98 -0.14 -1.09 1.02 -1.19 -4.89 120.64 110.20 1wh4 n GLU 37 Ca -0.15 0.74 0.12 0.00 -0.02 0.00 0.00 57.16 57.84 1wh4 n GLU 37 Cb 0.52 -5.31 0.47 0.00 -0.02 0.00 0.00 31.44 27.10 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 0.74 0.84 0.62 0.00 -1.08 -1.01 103.07 103.17 1wh4 h GLY 38 Ca -0.34 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 1wh4 h GLY 38 CO 0.42 0.11 -0.05 0.11 0.00 0.00 0.00 176.54 177.13 1wh4 h TRP 39 N 0.49 -0.12 -0.83 5.60 5.08 -0.94 0.40 115.95 125.64 1wh4 h TRP 39 Ca 0.33 -0.00 0.10 0.00 1.08 0.00 0.00 58.89 60.40 1wh4 h TRP 39 Cb 0.62 0.04 -0.08 0.00 -3.00 0.00 0.00 29.16 26.74 1wh4 h TRP 39 CO -0.00 0.07 0.46 0.87 -1.28 0.00 0.00 178.44 178.56 1wh4 h LYS 40 N -0.30 0.74 -0.04 0.12 1.57 -1.66 0.11 116.57 117.11 1wh4 h LYS 40 Ca -0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1wh4 h LYS 40 Cb 0.25 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 1wh4 h LYS 40 CO 0.02 0.49 -0.03 0.87 -0.57 0.00 0.00 179.45 180.23 1wh4 h LYS 41 N 0.76 0.08 -0.30 3.15 1.57 -0.91 -1.18 116.57 119.75 1wh4 h LYS 41 Ca 0.41 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.16 1wh4 h LYS 41 Cb 0.41 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1wh4 h LYS 41 CO -0.27 0.53 0.15 1.25 -0.57 0.00 0.00 179.45 180.55 1wh4 h LEU 42 N -0.36 0.23 0.20 2.94 7.12 -0.61 -0.16 115.31 124.67 1wh4 h LEU 42 Ca 0.01 0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.04 1wh4 h LEU 42 Cb 0.51 -0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 40.57 1wh4 h LEU 42 CO 0.01 0.17 -0.36 0.00 -0.13 0.00 0.00 178.44 178.13 1wh4 h ALA 43 N 1.15 -0.68 -0.30 1.25 0.00 -0.70 -1.61 119.26 118.37 1wh4 h ALA 43 Ca 0.12 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1wh4 h ALA 43 Cb 0.03 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1wh4 h ALA 43 CO -0.08 -0.94 -0.09 -0.24 0.00 0.00 0.00 179.25 177.90 1wh4 h VAL 44 N -0.64 1.22 -0.26 0.00 3.04 -1.13 -2.78 116.25 115.70 1wh4 h VAL 44 Ca 0.01 -0.96 -0.06 0.00 -1.01 0.00 0.00 66.70 64.68 1wh4 h VAL 44 Cb 0.64 1.09 -0.02 0.00 -2.01 0.00 0.00 31.29 31.00 1wh4 h VAL 44 CO -0.16 0.32 -0.10 0.00 -1.01 0.00 0.00 177.57 176.62 1wh4 h ALA 45 N 1.44 1.35 -1.61 3.17 0.00 -0.54 -3.39 119.26 119.68 1wh4 h ALA 45 Ca 0.09 -0.24 -0.53 0.00 0.00 0.00 0.00 54.91 54.24 1wh4 h ALA 45 Cb 0.45 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1wh4 h ALA 45 CO 0.02 0.44 1.27 0.42 0.00 0.00 0.00 179.25 181.41 1wh4 s ILE 46 N -4.78 3.49 0.58 0.00 1.01 -0.65 -4.99 121.20 115.87 1wh4 s ILE 46 Ca -0.07 0.39 -0.00 0.00 0.00 0.00 0.00 60.65 60.97 1wh4 s ILE 46 Cb 0.15 -3.99 0.04 0.00 0.01 0.00 0.00 42.46 38.67 1wh4 s ILE 46 CO 0.76 -0.85 0.82 -0.54 0.00 0.00 0.00 174.94 175.13 1wh4 s LYS 47 N 6.32 2.44 0.83 2.79 3.01 -1.26 -2.76 119.74 131.11 1wh4 s LYS 47 Ca 0.67 -0.71 -0.12 0.00 -1.01 0.00 0.00 55.97 54.79 1wh4 s LYS 47 Cb -0.15 -2.43 0.09 0.00 -1.01 0.00 0.00 37.83 34.33 1wh4 s LYS 47 CO 0.25 -0.83 1.10 0.15 0.51 0.00 0.00 175.35 176.53 1wh4 s LYS 48 N -4.86 1.81 0.00 1.68 -0.14 0.15 -4.63 119.74 113.75 1wh4 s LYS 48 Ca 0.58 0.58 0.22 0.00 -1.36 0.00 0.00 55.97 55.99 1wh4 s LYS 48 Cb -0.10 -1.89 1.17 0.00 -1.68 0.00 0.00 37.83 35.33 1wh4 s LYS 48 CO 0.40 -1.80 1.71 -0.35 -0.76 0.00 0.00 175.35 174.55 1wh4 n PRO 49 N -3.54 0.43 -1.19 -1.68 -0.05 -1.26 -2.28 135.00 125.42 1wh4 n PRO 49 Ca 0.07 0.06 -0.05 0.00 -0.05 0.00 0.00 63.50 63.52 1wh4 n PRO 49 Cb 0.57 -1.50 0.13 0.00 -0.05 0.00 0.00 33.50 32.65 1wh4 n PRO 49 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 175.50 175.88 1wh4 n SER 50 N -1.20 2.85 0.00 3.54 7.64 -1.26 -5.00 113.62 120.19 1wh4 n SER 50 Ca 0.12 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.25 1wh4 n SER 50 Cb 0.15 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 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 -0.91 2.79 3.73 0.23 0.00 -0.96 -4.98 105.19 105.10 1wh4 n GLY 51 Ca 0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.53 3.57 0.19 1.61 1.11 -1.26 -4.53 116.67 116.82 1wh4 s ASP 52 Ca 0.00 1.39 -0.30 0.00 0.18 0.00 0.00 52.55 53.82 1wh4 s ASP 52 Cb 0.00 -2.08 -0.09 0.00 1.07 0.00 0.00 42.92 41.83 1wh4 s ASP 52 CO 0.00 -2.57 1.34 -1.81 1.18 0.00 0.00 175.17 173.31 1wh4 s ASP 53 N -3.55 6.86 0.08 0.27 1.01 -1.26 0.30 116.67 120.38 1wh4 s ASP 53 Ca 0.63 2.41 -0.14 0.00 0.71 0.00 0.00 52.55 56.16 1wh4 s ASP 53 Cb -0.17 -2.61 -0.22 0.00 1.01 0.00 0.00 42.92 40.93 1wh4 s ASP 53 CO 0.56 -0.57 1.21 0.03 0.21 0.00 0.00 175.17 176.61 1wh4 h ARG 54 N 5.62 0.71 -2.03 8.23 3.08 -1.78 -3.44 114.38 124.78 1wh4 h ARG 54 Ca -0.44 -0.73 -0.50 0.00 0.07 0.00 0.00 59.98 58.37 1wh4 h ARG 54 Cb 1.21 0.20 -0.40 0.00 0.08 0.00 0.00 29.97 31.06 1wh4 h ARG 54 CO 0.79 1.31 -1.12 0.66 -1.07 0.00 0.00 179.97 180.54 1wh4 n TYR 55 N -3.89 0.60 -0.45 3.04 4.01 -1.26 -5.07 117.16 114.14 1wh4 n TYR 55 Ca -0.10 -3.81 -0.29 0.00 -0.16 0.00 0.00 57.90 53.53 1wh4 n TYR 55 Cb 0.85 -0.42 0.26 0.00 -0.31 0.00 0.00 39.34 39.72 1wh4 n TYR 55 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1wh4 n ASN 56 N 0.37 -2.45 0.26 7.72 3.02 -1.26 -4.39 115.26 118.53 1wh4 n ASN 56 Ca 0.25 -0.33 0.09 0.00 -0.03 0.00 0.00 54.58 54.56 1wh4 n ASN 56 Cb 0.61 -1.14 0.67 0.00 -0.61 0.00 0.00 39.78 39.31 1wh4 n ASN 56 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1wh4 h GLN 57 N -2.83 0.00 -0.97 3.52 4.15 -1.99 0.14 115.11 117.12 1wh4 h GLN 57 Ca -0.57 0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.02 1wh4 h GLN 57 Cb 1.32 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.91 1wh4 h GLN 57 CO 0.43 0.03 0.57 0.35 -1.93 0.00 0.00 178.83 178.28 1wh4 h PHE 58 N 0.00 1.01 0.23 3.99 3.57 -2.01 -0.99 116.94 122.74 1wh4 h PHE 58 Ca -0.00 0.03 -0.33 0.00 3.53 0.00 0.00 57.97 61.20 1wh4 h PHE 58 Cb 0.06 -0.30 0.03 0.00 2.79 0.00 0.00 35.95 38.53 1wh4 h PHE 58 CO 0.00 0.24 -1.51 0.45 -2.23 0.00 0.00 178.31 175.26 1wh4 h HIS 59 N 0.75 0.88 -0.53 0.41 3.86 -1.05 -3.31 115.15 116.16 1wh4 h HIS 59 Ca 0.55 -0.64 0.09 0.00 -1.16 0.00 0.00 60.37 59.20 1wh4 h HIS 59 Cb 0.80 -0.04 -0.07 0.00 1.06 0.00 0.00 27.41 29.17 1wh4 h HIS 59 CO -0.03 1.55 0.14 0.82 0.86 0.00 0.00 177.93 181.28 1wh4 h ILE 60 N 0.13 0.74 -0.94 2.45 1.08 -0.52 0.32 117.51 120.77 1wh4 h ILE 60 Ca -0.26 -0.10 0.09 0.00 -0.39 0.00 0.00 64.86 64.20 1wh4 h ILE 60 Cb 2.14 0.43 -0.07 0.00 -3.07 0.00 0.00 36.82 36.25 1wh4 h ILE 60 CO 0.25 0.05 0.61 0.03 -0.69 0.00 0.00 178.15 178.40 1wh4 h ARG 61 N 0.29 0.95 0.00 2.37 2.47 -1.34 0.27 114.38 119.39 1wh4 h ARG 61 Ca 0.26 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.88 1wh4 h ARG 61 Cb 0.34 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 1wh4 h ARG 61 CO -0.31 0.63 -0.23 -0.09 0.56 0.00 0.00 179.97 180.53 1wh4 h ARG 62 N 0.98 0.00 0.14 0.04 2.43 -1.08 -1.62 114.38 115.28 1wh4 h ARG 62 Ca 0.44 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.41 1wh4 h ARG 62 Cb 0.37 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1wh4 h ARG 62 CO -0.19 0.23 -0.86 0.74 -1.51 0.00 0.00 179.97 178.38 1wh4 h PHE 63 N 0.00 0.54 -0.93 2.20 0.04 0.21 -3.36 116.94 115.64 1wh4 h PHE 63 Ca -0.00 -0.39 0.21 0.00 2.80 0.00 0.00 57.97 60.58 1wh4 h PHE 63 Cb 0.58 -0.02 -0.12 0.00 2.20 0.00 0.00 35.95 38.59 1wh4 h PHE 63 CO 0.00 1.33 0.48 0.93 -0.60 0.00 0.00 178.31 180.45 1wh4 h GLU 64 N -0.37 0.52 0.00 1.51 5.08 -0.21 0.69 114.58 121.81 1wh4 h GLU 64 Ca -0.15 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1wh4 h GLU 64 Cb 1.65 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.78 1wh4 h GLU 64 CO 0.15 0.34 0.34 0.00 -1.00 0.00 0.00 179.01 178.84 1wh4 h ALA 65 N 1.68 1.31 0.07 3.43 0.00 -1.45 -2.00 119.26 122.30 1wh4 h ALA 65 Ca 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.47 1wh4 h ALA 65 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1wh4 h ALA 65 CO -0.46 -0.31 -0.03 -0.07 0.00 0.00 0.00 179.25 178.37 1wh4 h LEU 66 N 0.00 -0.08 -1.81 0.00 3.38 -1.06 -3.33 115.31 112.41 1wh4 h LEU 66 Ca 0.00 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1wh4 h LEU 66 Cb 0.68 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1wh4 h LEU 66 CO 0.00 0.45 0.17 0.17 0.09 0.00 0.00 178.44 179.32 1wh4 h LEU 67 N -1.02 0.21 -0.15 1.67 8.10 -1.10 -0.00 115.31 123.03 1wh4 h LEU 67 Ca -0.01 -0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.98 1wh4 h LEU 67 Cb 0.16 -0.05 0.00 0.00 -0.44 0.00 0.00 40.66 40.33 1wh4 h LEU 67 CO 0.02 0.15 0.00 0.00 -4.11 0.00 0.00 178.44 174.49 1wh4 n GLN 68 N -4.50 0.03 -0.22 0.17 1.13 -0.84 -1.51 117.38 111.65 1wh4 n GLN 68 Ca 0.02 0.35 0.04 0.00 -1.94 0.00 0.00 57.00 55.46 1wh4 n GLN 68 Cb 0.15 -1.56 0.05 0.00 0.11 0.00 0.00 30.24 28.99 1wh4 n GLN 68 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 1wh4 n THR 69 N -1.62 0.80 0.00 5.09 5.66 -0.17 -5.03 114.28 119.01 1wh4 n THR 69 Ca 0.02 -0.94 0.00 0.00 -3.05 0.00 0.00 64.05 60.08 1wh4 n THR 69 Cb 0.13 0.29 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 1wh4 n THR 69 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wh4 n GLY 70 N -0.58 2.85 3.77 1.09 0.00 -0.43 -5.02 105.19 106.87 1wh4 n GLY 70 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.14 4.11 -0.16 1.61 1.02 -0.29 -4.80 119.74 121.08 1wh4 s LYS 71 Ca 0.00 2.26 -0.29 0.00 0.02 0.00 0.00 55.97 57.95 1wh4 s LYS 71 Cb 0.00 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 1wh4 s LYS 71 CO 0.00 -0.41 1.70 -1.12 -0.92 0.00 0.00 175.35 174.60 1wh4 s SER 72 N -0.55 6.37 0.35 2.83 0.01 -1.26 -2.55 113.70 118.90 1wh4 s SER 72 Ca 0.54 1.86 0.06 0.00 1.31 0.00 0.00 55.95 59.72 1wh4 s SER 72 Cb -0.40 -2.53 0.65 0.00 0.21 0.00 0.00 66.02 63.95 1wh4 s SER 72 CO 0.53 -1.23 1.88 1.55 0.41 0.00 0.00 173.24 176.37 1wh4 h PRO 73 N 10.83 0.41 -0.17 12.44 0.13 -1.91 -2.98 132.00 150.76 1wh4 h PRO 73 Ca -0.37 -0.10 0.04 0.00 -0.87 0.00 0.00 66.00 64.71 1wh4 h PRO 73 Cb 1.17 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 1wh4 h PRO 73 CO 0.98 0.50 -0.07 1.15 -0.23 0.00 0.00 178.00 180.33 1wh4 h THR 74 N 0.39 0.76 0.64 1.56 2.02 -1.92 0.73 112.91 117.09 1wh4 h THR 74 Ca 0.08 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 1wh4 h THR 74 Cb 0.38 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1wh4 h THR 74 CO 0.02 0.00 -0.36 0.00 0.37 0.00 0.00 175.52 175.55 1wh4 h GLU 76 N -0.93 0.25 0.42 0.00 4.39 -1.37 0.48 114.58 117.83 1wh4 h GLU 76 Ca -0.08 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1wh4 h GLU 76 Cb 0.74 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1wh4 h GLU 76 CO 0.11 0.17 -0.20 1.25 -1.16 0.00 0.00 179.01 179.17 1wh4 h LEU 77 N 0.26 -0.48 -1.35 1.33 5.85 -0.71 -0.33 115.31 119.89 1wh4 h LEU 77 Ca 0.24 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1wh4 h LEU 77 Cb 0.30 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1wh4 h LEU 77 CO -0.30 -0.27 0.22 -0.07 -0.34 0.00 0.00 178.44 177.69 1wh4 h LEU 78 N -0.68 0.60 0.09 2.25 3.38 -0.86 0.06 115.31 120.15 1wh4 h LEU 78 Ca -0.06 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1wh4 h LEU 78 Cb 0.49 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1wh4 h LEU 78 CO 0.10 0.52 -0.04 0.15 0.09 0.00 0.00 178.44 179.25 1wh4 h PHE 79 N 0.67 -0.11 -0.71 1.13 3.57 -0.67 -2.82 116.94 118.00 1wh4 h PHE 79 Ca 0.17 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.68 1wh4 h PHE 79 Cb 0.08 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 1wh4 h PHE 79 CO 0.01 0.24 0.46 -0.44 -2.23 0.00 0.00 178.31 176.35 1wh4 h ASP 80 N -0.48 0.78 0.79 0.41 3.32 -0.81 -2.67 116.42 117.76 1wh4 h ASP 80 Ca -0.01 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1wh4 h ASP 80 Cb 0.41 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1wh4 h ASP 80 CO 0.02 0.55 -0.21 -0.25 -1.72 0.00 0.00 179.24 177.63 1wh4 h TRP 81 N 0.92 0.00 -0.06 4.55 7.01 -1.04 -1.49 115.95 125.85 1wh4 h TRP 81 Ca 0.27 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.30 1wh4 h TRP 81 Cb -0.06 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 26.96 1wh4 h TRP 81 CO -0.03 0.21 -0.15 0.78 -2.79 0.00 0.00 178.44 176.46 1wh4 h GLY 82 N 1.80 -0.14 2.00 2.65 0.00 -1.20 -2.52 103.07 105.66 1wh4 h GLY 82 Ca -0.00 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 1wh4 h GLY 82 CO 0.03 -0.15 -0.11 -0.84 0.00 0.00 0.00 176.54 175.47 1wh4 h THR 83 N -0.22 0.63 0.00 4.70 2.02 -1.28 -0.64 112.91 118.12 1wh4 h THR 83 Ca 0.07 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1wh4 h THR 83 Cb 0.31 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1wh4 h THR 83 CO -0.19 0.11 0.00 0.00 0.37 0.00 0.00 175.52 175.81 1wh4 h THR 84 N 0.00 0.00 -1.13 3.16 1.03 -0.86 -3.47 112.91 111.64 1wh4 h THR 84 Ca -0.00 -0.30 0.00 0.00 -0.01 0.00 0.00 66.41 66.10 1wh4 h THR 84 Cb 0.28 1.18 0.00 0.00 -1.07 0.00 0.00 68.15 68.54 1wh4 h THR 84 CO 0.01 0.00 0.00 0.59 -0.01 0.00 0.00 175.52 176.11 1wh4 n ASN 85 N -2.78 -0.75 -4.31 0.00 3.02 -0.25 -5.11 115.26 105.08 1wh4 n ASN 85 Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.39 1wh4 n ASN 85 Cb 0.22 -0.25 -0.10 0.00 -0.61 0.00 0.00 39.78 39.03 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 -3.64 1.24 0.32 0.00 -4.23 -1.26 -3.07 115.64 105.00 1wh4 s THR 87 Ca 0.33 -2.07 0.03 0.00 -1.18 0.00 0.00 61.69 58.79 1wh4 s THR 87 Cb 0.07 -2.25 0.29 0.00 1.34 0.00 0.00 72.50 71.95 1wh4 s THR 87 CO 0.10 -0.42 1.90 0.58 -0.54 0.00 0.00 174.62 176.25 1wh4 h VAL 88 N 2.50 1.01 -0.52 2.29 2.07 -0.08 -0.80 116.25 122.71 1wh4 h VAL 88 Ca -0.38 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 66.71 1wh4 h VAL 88 Cb 1.22 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1wh4 h VAL 88 CO 0.65 0.17 -0.12 1.23 0.02 0.00 0.00 177.57 179.52 1wh4 h GLY 89 N 0.92 1.06 0.99 2.17 0.00 -1.01 -0.30 103.07 106.90 1wh4 h GLY 89 Ca 0.40 -0.86 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 1wh4 h GLY 89 CO -0.16 0.78 0.23 -1.80 0.00 0.00 0.00 176.54 175.59 1wh4 h ASP 90 N 0.87 0.44 0.64 0.19 1.82 -1.58 -1.96 116.42 116.85 1wh4 h ASP 90 Ca 0.14 -0.05 -0.02 0.00 -0.39 0.00 0.00 57.03 56.71 1wh4 h ASP 90 Cb 0.67 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 1wh4 h ASP 90 CO 0.05 0.36 -0.44 0.25 -1.61 0.00 0.00 179.24 177.84 1wh4 h LEU 91 N 0.49 -1.15 -0.71 2.28 5.85 -0.75 -1.36 115.31 119.96 1wh4 h LEU 91 Ca 0.13 0.07 0.16 0.00 0.84 0.00 0.00 57.88 59.08 1wh4 h LEU 91 Cb -0.01 0.35 -0.13 0.00 0.37 0.00 0.00 40.66 41.25 1wh4 h LEU 91 CO -0.03 -0.66 -0.04 0.58 -0.34 0.00 0.00 178.44 177.95 1wh4 h VAL 92 N -1.04 0.36 -0.03 1.05 2.07 -1.05 0.13 116.25 117.74 1wh4 h VAL 92 Ca -0.08 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1wh4 h VAL 92 Cb 0.85 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1wh4 h VAL 92 CO 0.05 0.01 0.02 -0.78 0.02 0.00 0.00 177.57 176.89 1wh4 h ASP 93 N 0.08 0.03 -0.74 0.57 3.58 -0.77 0.95 116.42 120.11 1wh4 h ASP 93 Ca 0.38 -0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.75 1wh4 h ASP 93 Cb 0.63 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.65 1wh4 h ASP 93 CO -0.65 0.04 0.22 -0.07 -2.88 0.00 0.00 179.24 175.90 1wh4 h LEU 94 N 0.03 1.09 -0.22 2.28 3.38 -0.84 -0.55 115.31 120.48 1wh4 h LEU 94 Ca 0.01 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.80 1wh4 h LEU 94 Cb 0.01 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1wh4 h LEU 94 CO -0.00 1.02 0.02 -0.07 0.09 0.00 0.00 178.44 179.50 1wh4 h LEU 95 N 1.11 -0.04 -1.06 1.67 3.38 -0.09 -0.89 115.31 119.39 1wh4 h LEU 95 Ca 0.24 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.28 1wh4 h LEU 95 Cb 0.32 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 1wh4 h LEU 95 CO -0.01 0.01 0.63 0.58 0.09 0.00 0.00 178.44 179.75 1wh4 h VAL 96 N 0.10 1.20 0.00 1.22 2.07 -0.55 0.20 116.25 120.48 1wh4 h VAL 96 Ca 0.10 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1wh4 h VAL 96 Cb 0.12 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 29.72 1wh4 h VAL 96 CO -0.15 0.23 -0.15 0.06 0.02 0.00 0.00 177.57 177.58 1wh4 h GLN 97 N 1.25 0.00 -0.19 1.57 3.07 -0.01 -2.23 115.11 118.57 1wh4 h GLN 97 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.11 1wh4 h GLN 97 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.51 1wh4 h GLN 97 CO -0.10 0.15 0.00 0.44 0.09 0.00 0.00 178.83 179.40 1wh4 n ILE 98 N -4.31 0.23 -0.49 1.86 -5.35 -0.45 -4.94 119.36 105.92 1wh4 n ILE 98 Ca -0.03 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 61.94 1wh4 n ILE 98 Cb 0.22 0.89 0.00 0.00 -1.74 0.00 0.00 39.64 39.01 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 0.98 0.00 -2.03 6.28 4.07 -0.84 -4.99 120.64 124.11 1wh4 n GLU 99 Ca 0.17 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.86 1wh4 n GLU 99 Cb 0.50 -1.35 -0.00 0.00 -0.06 0.00 0.00 31.44 30.53 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 7.28 0.15 4.31 7.99 0.62 -4.75 117.00 132.59 1wh4 n LEU 100 Ca 0.00 -4.59 0.01 0.00 -0.01 0.00 0.00 56.01 51.42 1wh4 n LEU 100 Cb 0.00 -1.49 0.20 0.00 -0.11 0.00 0.00 43.42 42.02 1wh4 n LEU 100 CO 0.00 1.58 0.53 -0.26 -1.51 0.00 0.00 177.39 177.73 1wh4 h PHE 101 N 5.42 0.00 0.78 -1.77 0.04 -1.92 -2.75 116.94 116.75 1wh4 h PHE 101 Ca 0.56 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.29 1wh4 h PHE 101 Cb 0.51 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.66 1wh4 h PHE 101 CO 1.45 0.56 -0.44 0.00 -0.60 0.00 0.00 178.31 179.28 1wh4 h ALA 102 N 1.44 -1.27 -0.17 2.45 0.00 -1.97 0.39 119.26 120.13 1wh4 h ALA 102 Ca -0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1wh4 h ALA 102 Cb 1.08 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1wh4 h ALA 102 CO 0.07 -1.21 -0.18 -1.00 0.00 0.00 0.00 179.25 176.93 1wh4 h PRO 103 N -1.13 0.29 -0.19 0.00 0.13 -1.96 -1.62 132.00 127.52 1wh4 h PRO 103 Ca -0.11 -0.08 0.04 0.00 -0.87 0.00 0.00 66.00 64.98 1wh4 h PRO 103 Cb 0.90 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.96 1wh4 h PRO 103 CO 0.13 0.47 -0.04 0.00 -0.23 0.00 0.00 178.00 178.32 1wh4 h ALA 104 N 1.55 0.13 -0.71 -0.56 0.00 -1.39 -2.51 119.26 115.76 1wh4 h ALA 104 Ca 0.05 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1wh4 h ALA 104 Cb 0.48 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1wh4 h ALA 104 CO 0.03 -0.48 0.30 1.15 0.00 0.00 0.00 179.25 180.26 1wh4 h THR 105 N 0.00 1.24 -0.47 0.00 2.02 -0.43 0.57 112.91 115.84 1wh4 h THR 105 Ca 0.09 -0.72 -0.04 0.00 0.77 0.00 0.00 66.41 66.51 1wh4 h THR 105 Cb 0.14 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1wh4 h THR 105 CO -0.19 0.29 0.11 0.25 0.37 0.00 0.00 175.52 176.35 1wh4 h LEU 106 N 1.02 0.66 0.06 2.58 5.85 -0.92 -0.99 115.31 123.56 1wh4 h LEU 106 Ca 0.24 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1wh4 h LEU 106 Cb 0.16 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1wh4 h LEU 106 CO -0.02 0.66 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.64 1wh4 h LEU 107 N 0.69 -0.07 -6.53 2.25 3.38 -1.11 -3.45 115.31 110.47 1wh4 h LEU 107 Ca 0.16 -0.56 -0.40 0.00 0.09 0.00 0.00 57.88 57.17 1wh4 h LEU 107 Cb 0.27 0.02 -0.35 0.00 0.09 0.00 0.00 40.66 40.69 1wh4 h LEU 107 CO -0.00 0.62 -0.69 -0.76 0.09 0.00 0.00 178.44 177.69 1wh4 s LEU 108 N -8.72 0.05 0.40 1.67 1.43 0.16 -3.42 118.68 110.24 1wh4 s LEU 108 Ca -0.14 -1.15 0.28 0.00 -1.03 0.00 0.00 54.13 52.09 1wh4 s LEU 108 Cb -0.01 0.28 0.97 0.00 0.03 0.00 0.00 46.19 47.46 1wh4 s LEU 108 CO 0.53 -0.37 1.80 1.55 0.23 0.00 0.00 176.35 180.10 1wh4 h PRO 109 N 7.94 0.00 0.14 1.29 0.13 -1.38 -2.90 132.00 137.21 1wh4 h PRO 109 Ca -0.09 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.73 1wh4 h PRO 109 Cb 1.05 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1wh4 h PRO 109 CO 0.32 0.00 -1.51 0.22 -0.23 0.00 0.00 178.00 176.80 1wh4 h ASP 110 N 0.00 0.45 -0.01 1.44 1.82 -1.93 -3.36 116.42 114.83 1wh4 h ASP 110 Ca 0.00 -0.59 -0.00 0.00 -0.39 0.00 0.00 57.03 56.05 1wh4 h ASP 110 Cb 0.61 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 40.47 1wh4 h ASP 110 CO 0.00 1.49 0.00 0.00 -1.61 0.00 0.00 179.24 179.12 1wh4 h ALA 111 N 0.44 0.01 -2.70 -0.78 0.00 -1.88 -3.44 119.26 110.91 1wh4 h ALA 111 Ca -0.24 -0.10 -0.52 0.00 0.00 0.00 0.00 54.91 54.05 1wh4 h ALA 111 Cb 2.03 -0.00 0.06 0.00 0.00 0.00 0.00 17.79 19.88 1wh4 h ALA 111 CO 0.18 -0.40 0.93 0.54 0.00 0.00 0.00 179.25 180.50 1wh4 s VAL 112 N -5.44 2.19 -1.13 0.00 0.11 -1.24 -4.86 120.40 110.04 1wh4 s VAL 112 Ca -0.14 0.15 -0.23 0.00 -2.93 0.00 0.00 61.98 58.83 1wh4 s VAL 112 Cb 0.04 -3.09 -0.09 0.00 -1.53 0.00 0.00 36.38 31.71 1wh4 s VAL 112 CO 0.67 0.02 1.95 -2.16 -3.33 0.00 0.00 175.10 172.24 1wh4 s PRO 113 N 0.51 2.45 0.00 1.54 0.04 -1.26 -2.57 135.00 135.72 1wh4 s PRO 113 Ca 0.69 -0.99 0.00 0.00 0.04 0.00 0.00 61.00 60.74 1wh4 s PRO 113 Cb -0.47 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 28.86 1wh4 s PRO 113 CO 0.38 -3.94 0.00 1.04 0.04 0.00 0.00 177.00 174.51 1wh4 n GLN 114 N 8.37 0.00 0.00 4.56 6.02 -1.26 -5.17 117.38 129.90 1wh4 n GLN 114 Ca 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.43 1wh4 n GLN 114 Cb 0.47 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.73 1wh4 n GLN 114 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1wh4 n THR 115 N -2.23 0.00 0.00 5.09 5.66 -1.06 -4.97 114.28 116.77 1wh4 n THR 115 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1wh4 n THR 115 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1wh4 n THR 115 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1wh4 n VAL 116 N 0.00 0.00 -3.93 1.08 0.31 -1.26 -5.08 118.33 109.45 1wh4 n VAL 116 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 1wh4 n VAL 116 Cb 0.00 -0.04 -0.08 0.00 -0.91 0.00 0.00 33.84 32.81 1wh4 n VAL 116 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1wh4 s LYS 117 N -0.17 0.74 1.00 5.55 3.01 -1.26 -5.18 119.74 123.43 1wh4 s LYS 117 Ca 0.00 -0.98 -0.17 0.00 -1.01 0.00 0.00 55.97 53.81 1wh4 s LYS 117 Cb 0.00 0.29 0.22 0.00 -1.01 0.00 0.00 37.83 37.33 1wh4 s LYS 117 CO 0.00 -0.20 1.33 -1.54 0.51 0.00 0.00 175.35 175.45 1wh4 s SER 118 N -2.72 2.75 -0.02 2.83 1.04 -1.26 -4.97 113.70 111.35 1wh4 s SER 118 Ca 0.03 0.20 0.03 0.00 0.48 0.00 0.00 55.95 56.69 1wh4 s SER 118 Cb 0.04 -0.18 -0.00 0.00 0.10 0.00 0.00 66.02 65.98 1wh4 s SER 118 CO -0.09 -2.95 -0.10 -0.22 0.98 0.00 0.00 173.24 170.86 1wh4 s LEU 119 N -6.01 1.89 0.01 2.42 0.20 -1.26 -4.95 118.68 110.98 1wh4 s LEU 119 Ca 0.76 -0.19 -0.30 0.00 0.69 0.00 0.00 54.13 55.09 1wh4 s LEU 119 Cb -0.03 -0.54 -0.06 0.00 -0.43 0.00 0.00 46.19 45.13 1wh4 s LEU 119 CO 0.54 0.09 1.49 -2.16 -0.29 0.00 0.00 176.35 176.02 1wh4 s PRO 120 N 0.00 4.25 -0.65 0.98 0.04 -1.26 -4.95 135.00 133.41 1wh4 s PRO 120 Ca -0.00 2.08 -0.27 0.00 0.04 0.00 0.00 61.00 62.85 1wh4 s PRO 120 Cb -0.07 -3.64 -0.01 0.00 0.04 0.00 0.00 34.50 30.83 1wh4 s PRO 120 CO 0.00 -0.66 1.71 -1.25 0.04 0.00 0.00 177.00 176.84 1wh4 s PRO 121 N 2.70 2.78 -0.09 0.56 0.04 -1.26 -4.82 135.00 134.91 1wh4 s PRO 121 Ca 0.67 0.37 -0.09 0.00 0.04 0.00 0.00 61.00 61.99 1wh4 s PRO 121 Cb -0.34 -4.35 -0.07 0.00 0.04 0.00 0.00 34.50 29.79 1wh4 s PRO 121 CO 0.28 -2.59 0.30 0.66 0.04 0.00 0.00 177.00 175.69 1wh4 h SER 122 N 13.61 -0.10 -0.40 6.66 4.64 -2.07 -3.51 113.55 132.38 1wh4 h SER 122 Ca -0.26 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1wh4 h SER 122 Cb 1.13 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1wh4 h SER 122 CO 1.24 0.46 0.00 0.61 -0.87 0.00 0.00 176.83 178.26 1wh4 n GLY 123 N 1.39 2.48 3.99 -0.77 0.00 -1.26 -5.19 105.19 105.84 1wh4 n GLY 123 Ca -0.03 -1.10 -0.24 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.03 1.71 0.21 1.61 0.04 -1.26 -5.15 135.00 130.13 1wh4 s PRO 124 Ca 0.00 -1.07 -0.16 0.00 0.04 0.00 0.00 61.00 59.82 1wh4 s PRO 124 Cb 0.00 -2.32 0.02 0.00 0.04 0.00 0.00 34.50 32.23 1wh4 s PRO 124 CO 0.00 -1.43 0.49 -1.12 0.04 0.00 0.00 177.00 174.98 1wh4 s SER 125 N -4.72 -0.18 0.19 6.66 0.01 -1.26 -5.20 113.70 109.20 1wh4 s SER 125 Ca 0.66 -0.64 -0.07 0.00 1.31 0.00 0.00 55.95 57.21 1wh4 s SER 125 Cb -0.06 0.57 -0.02 0.00 0.21 0.00 0.00 66.02 66.72 1wh4 s SER 125 CO 0.44 -1.07 0.25 -0.94 0.41 0.00 0.00 173.24 172.34 1wh4 s SER 126 N -2.92 0.08 0.00 2.44 1.04 -1.26 -5.31 113.70 107.77 1wh4 s SER 126 Ca 0.13 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.50 1wh4 s SER 126 Cb -0.01 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1wh4 s SER 126 CO 0.01 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.93