#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 6.44 -0.10 1.61 1.04 -1.26 -5.08 113.70 116.34 1wh4 s SER 2 Ca 0.00 1.85 -0.05 0.00 0.48 0.00 0.00 55.95 58.23 1wh4 s SER 2 Cb 0.00 -2.55 0.05 0.00 0.10 0.00 0.00 66.02 63.62 1wh4 s SER 2 CO 0.00 -0.71 0.24 -0.44 0.98 0.00 0.00 173.24 173.31 1wh4 s SER 3 N -2.16 -0.26 -1.32 7.02 0.01 -1.26 -5.08 113.70 110.66 1wh4 s SER 3 Ca 0.65 0.52 -0.16 0.00 1.31 0.00 0.00 55.95 58.27 1wh4 s SER 3 Cb -0.14 0.41 0.01 0.00 0.21 0.00 0.00 66.02 66.50 1wh4 s SER 3 CO 0.21 -0.17 2.08 0.61 0.41 0.00 0.00 173.24 176.38 1wh4 n GLY 4 N 4.24 3.68 3.25 3.44 0.00 -1.26 -4.75 105.19 113.80 1wh4 n GLY 4 Ca -0.25 -1.49 0.03 0.00 0.00 0.00 0.00 46.02 44.32 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 3.78 -0.94 0.76 1.61 1.04 -1.26 -5.17 113.70 113.52 1wh4 s SER 5 Ca 0.51 0.77 -0.12 0.00 0.48 0.00 0.00 55.95 57.59 1wh4 s SER 5 Cb 0.12 1.86 0.05 0.00 0.10 0.00 0.00 66.02 68.15 1wh4 s SER 5 CO -0.02 -0.18 1.12 -0.55 0.98 0.00 0.00 173.24 174.59 1wh4 s SER 6 N 2.83 4.89 -0.55 7.02 0.15 -1.26 -4.75 113.70 122.02 1wh4 s SER 6 Ca 0.07 1.06 -0.05 0.00 0.70 0.00 0.00 55.95 57.74 1wh4 s SER 6 Cb -0.12 -1.76 0.01 0.00 -1.71 0.00 0.00 66.02 62.44 1wh4 s SER 6 CO -0.17 -1.69 0.58 0.61 1.20 0.00 0.00 173.24 173.77 1wh4 n GLY 7 N -2.86 -1.16 3.41 9.45 0.00 -1.26 -5.06 105.19 107.71 1wh4 n GLY 7 Ca 0.07 0.64 -0.20 0.00 0.00 0.00 0.00 46.02 46.52 1wh4 n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wh4 s MET 8 N -2.79 1.52 -0.04 1.61 0.00 -1.26 -4.99 119.30 113.34 1wh4 s MET 8 Ca 0.08 -1.78 -0.04 0.00 0.00 0.00 0.00 55.69 53.95 1wh4 s MET 8 Cb -0.02 -1.03 0.01 0.00 0.00 0.00 0.00 34.83 33.78 1wh4 s MET 8 CO 0.66 -0.01 0.06 -1.71 0.00 0.00 0.00 175.02 174.02 1wh4 n ASN 9 N -0.56 -1.59 -4.49 -1.18 5.15 -1.26 -4.82 115.26 106.50 1wh4 n ASN 9 Ca -0.05 0.05 -0.37 0.00 -0.60 0.00 0.00 54.58 53.61 1wh4 n ASN 9 Cb 0.64 -0.41 0.05 0.00 -0.53 0.00 0.00 39.78 39.53 1wh4 n ASN 9 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1wh4 n LYS 10 N 0.44 0.51 0.00 1.20 0.00 -1.26 -5.01 118.16 114.04 1wh4 n LYS 10 Ca -0.01 0.21 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 1wh4 n LYS 10 Cb 0.15 -1.82 0.00 0.00 -0.00 0.00 0.00 35.03 33.35 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 -0.44 2.40 -1.75 -1.58 -0.04 -1.26 -4.94 135.00 127.39 1wh4 n PRO 11 Ca 0.12 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.16 1wh4 n PRO 11 Cb 0.48 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.94 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 4.30 -4.80 1.53 7.99 -1.24 -4.98 117.00 119.80 1wh4 n LEU 12 Ca 0.00 1.22 -0.32 0.00 -0.01 0.00 0.00 56.01 56.90 1wh4 n LEU 12 Cb 0.00 -1.57 0.05 0.00 -0.11 0.00 0.00 43.42 41.79 1wh4 n LEU 12 CO 0.00 -0.09 0.71 0.42 -1.51 0.00 0.00 177.39 176.93 1wh4 s THR 13 N -1.09 3.68 0.51 -5.08 -4.23 -1.26 -4.69 115.64 103.47 1wh4 s THR 13 Ca 0.54 0.65 0.30 0.00 -1.18 0.00 0.00 61.69 62.01 1wh4 s THR 13 Cb -0.51 -3.24 0.34 0.00 1.34 0.00 0.00 72.50 70.43 1wh4 s THR 13 CO 0.63 -0.61 2.18 1.55 -0.54 0.00 0.00 174.62 177.83 1wh4 h PRO 14 N -0.35 0.00 -0.52 3.99 0.13 -1.94 -0.92 132.00 132.40 1wh4 h PRO 14 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1wh4 h PRO 14 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wh4 h PRO 14 CO 0.55 0.05 0.00 0.43 -0.23 0.00 0.00 178.00 178.81 1wh4 n SER 15 N -3.66 2.70 -4.82 1.44 7.64 -1.26 -0.63 113.62 115.03 1wh4 n SER 15 Ca -0.02 -2.14 -0.32 0.00 1.01 0.00 0.00 58.87 57.39 1wh4 n SER 15 Cb 0.16 -0.37 -0.02 0.00 -1.01 0.00 0.00 64.21 62.96 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 -1.58 4.22 0.59 0.44 2.01 -0.35 -4.94 115.64 116.02 1wh4 s THR 16 Ca 0.30 1.09 -0.11 0.00 0.31 0.00 0.00 61.69 63.27 1wh4 s THR 16 Cb 0.17 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 1wh4 s THR 16 CO 0.17 -0.58 1.00 -0.31 -0.69 0.00 0.00 174.62 174.21 1wh4 s TYR 17 N -2.51 3.60 0.04 4.92 2.02 -1.26 -0.47 117.35 123.69 1wh4 s TYR 17 Ca 0.61 1.28 -0.25 0.00 -0.37 0.00 0.00 57.07 58.35 1wh4 s TYR 17 Cb -0.12 -2.70 -0.17 0.00 -0.40 0.00 0.00 41.96 38.56 1wh4 s TYR 17 CO 0.32 -0.60 1.50 0.82 -1.57 0.00 0.00 175.55 176.02 1wh4 h ILE 18 N -0.07 1.04 0.00 2.71 1.08 -1.84 -3.16 117.51 117.28 1wh4 h ILE 18 Ca -0.45 -0.46 0.00 0.00 -0.39 0.00 0.00 64.86 63.56 1wh4 h ILE 18 Cb 1.19 1.34 0.00 0.00 -3.07 0.00 0.00 36.82 36.28 1wh4 h ILE 18 CO 0.62 0.11 0.00 0.08 -0.69 0.00 0.00 178.15 178.27 1wh4 h ARG 19 N -0.33 0.00 0.00 2.37 -0.00 -1.88 0.87 114.38 115.42 1wh4 h ARG 19 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.92 1wh4 h ARG 19 Cb 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.24 1wh4 h ARG 19 CO 0.02 0.00 -0.20 -0.97 -0.00 0.00 0.00 179.97 178.81 1wh4 h ASN 20 N 0.00 0.00 -3.83 0.08 -0.73 -1.95 -3.46 115.58 105.69 1wh4 h ASN 20 Ca 0.00 0.00 -0.49 0.00 1.87 0.00 0.00 56.30 57.68 1wh4 h ASN 20 Cb 0.24 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.83 1wh4 h ASN 20 CO 0.00 0.20 0.39 -0.76 -0.37 0.00 0.00 177.43 176.90 1wh4 s LEU 21 N -7.52 4.48 0.66 0.34 1.43 0.30 -4.99 118.68 113.38 1wh4 s LEU 21 Ca -0.02 2.02 -0.15 0.00 -1.03 0.00 0.00 54.13 54.95 1wh4 s LEU 21 Cb 0.13 -3.79 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1wh4 s LEU 21 CO 0.64 -0.07 1.12 0.21 0.23 0.00 0.00 176.35 178.48 1wh4 s ASN 22 N -1.26 5.02 0.54 2.29 3.84 -1.26 -4.75 114.94 119.35 1wh4 s ASN 22 Ca 0.47 2.05 0.28 0.00 0.21 0.00 0.00 52.86 55.86 1wh4 s ASN 22 Cb -0.25 -2.56 1.44 0.00 -0.55 0.00 0.00 41.25 39.33 1wh4 s ASN 22 CO 0.32 -1.69 1.95 1.62 -2.79 0.00 0.00 177.10 176.51 1wh4 h VAL 23 N 0.03 0.64 0.70 -5.21 3.04 -1.97 0.11 116.25 113.58 1wh4 h VAL 23 Ca -0.47 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.19 1wh4 h VAL 23 Cb 1.25 0.66 0.01 0.00 -2.01 0.00 0.00 31.29 31.20 1wh4 h VAL 23 CO 0.54 0.00 -0.33 1.23 -1.01 0.00 0.00 177.57 177.99 1wh4 h GLY 24 N 0.00 -0.98 1.52 3.17 0.00 -1.99 0.57 103.07 105.37 1wh4 h GLY 24 Ca 0.31 0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.95 1wh4 h GLY 24 CO -0.00 -0.36 0.00 -2.22 0.00 0.00 0.00 176.54 173.97 1wh4 h ILE 25 N -0.94 1.21 0.02 2.60 1.08 -1.52 0.34 117.51 120.30 1wh4 h ILE 25 Ca -0.10 -0.84 0.02 0.00 -0.39 0.00 0.00 64.86 63.56 1wh4 h ILE 25 Cb 0.72 0.92 -0.03 0.00 -3.07 0.00 0.00 36.82 35.36 1wh4 h ILE 25 CO 0.16 0.29 -0.16 -0.07 -0.69 0.00 0.00 178.15 177.67 1wh4 h LEU 26 N 0.57 -0.47 -0.56 1.44 3.38 -0.75 0.30 115.31 119.22 1wh4 h LEU 26 Ca 0.12 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1wh4 h LEU 26 Cb 0.36 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1wh4 h LEU 26 CO 0.01 -0.23 0.34 0.03 0.09 0.00 0.00 178.44 178.68 1wh4 h ARG 27 N -0.28 0.76 -0.62 1.13 3.08 0.03 -0.72 114.38 117.76 1wh4 h ARG 27 Ca 0.05 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.07 1wh4 h ARG 27 Cb 0.34 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 1wh4 h ARG 27 CO -0.14 0.55 0.36 0.87 -1.07 0.00 0.00 179.97 180.53 1wh4 h LYS 28 N 0.75 0.67 -0.16 0.04 1.57 -0.78 0.11 116.57 118.77 1wh4 h LYS 28 Ca 0.20 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.99 1wh4 h LYS 28 Cb -0.01 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.08 1wh4 h LYS 28 CO -0.04 0.44 -0.30 -0.07 -0.57 0.00 0.00 179.45 178.91 1wh4 h LEU 29 N 0.69 -0.94 -2.39 2.94 -0.00 -0.58 -2.38 115.31 112.66 1wh4 h LEU 29 Ca 0.26 0.14 -0.01 0.00 -0.00 0.00 0.00 57.88 58.28 1wh4 h LEU 29 Cb 0.09 0.41 -0.00 0.00 -0.00 0.00 0.00 40.66 41.16 1wh4 h LEU 29 CO -0.14 -0.34 -0.02 0.77 -0.00 0.00 0.00 178.44 178.71 1wh4 h SER 30 N -0.36 0.00 -0.25 -0.43 4.64 0.22 -0.32 113.55 117.05 1wh4 h SER 30 Ca 0.11 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.50 1wh4 h SER 30 Cb 0.52 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1wh4 h SER 30 CO -0.36 0.02 0.23 0.44 -0.87 0.00 0.00 176.83 176.29 1wh4 h ASP 31 N 0.00 0.00 0.00 4.97 3.32 -0.48 -0.30 116.42 123.93 1wh4 h ASP 31 Ca -0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 1wh4 h ASP 31 Cb 0.07 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1wh4 h ASP 31 CO 0.00 0.00 -1.83 0.49 -1.72 0.00 0.00 179.24 176.19 1wh4 n PHE 32 N -4.01 0.00 -0.07 4.55 3.72 -0.25 -4.69 117.46 116.71 1wh4 n PHE 32 Ca 0.03 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.39 1wh4 n PHE 32 Cb 0.37 -0.55 -0.16 0.00 -0.94 0.00 0.00 39.48 38.20 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 -2.35 0.94 0.37 4.37 2.08 -0.49 -4.26 119.36 120.02 1wh4 n ILE 33 Ca -0.16 -0.72 -0.18 0.00 0.56 0.00 0.00 62.75 62.25 1wh4 n ILE 33 Cb 0.77 -0.34 -0.09 0.00 -0.75 0.00 0.00 39.64 39.23 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 -0.93 -3.88 4.38 3.32 -1.30 -1.66 116.42 116.34 1wh4 h ASP 34 Ca -0.37 0.05 -0.47 0.00 0.02 0.00 0.00 57.03 56.26 1wh4 h ASP 34 Cb 1.83 0.26 0.17 0.00 0.22 0.00 0.00 39.33 41.81 1wh4 h ASP 34 CO 0.02 -0.61 0.19 -2.16 -1.72 0.00 0.00 179.24 174.96 1wh4 s PRO 35 N -6.02 0.59 0.00 3.56 0.04 -1.26 -3.33 135.00 128.58 1wh4 s PRO 35 Ca -0.18 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1wh4 s PRO 35 Cb 0.04 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.84 1wh4 s PRO 35 CO 0.62 -2.69 0.00 1.04 0.04 0.00 0.00 177.00 176.01 1wh4 n GLN 36 N -4.19 -0.17 -3.46 4.56 6.02 -1.26 -2.60 117.38 116.28 1wh4 n GLN 36 Ca 0.06 0.04 -0.25 0.00 -0.01 0.00 0.00 57.00 56.84 1wh4 n GLN 36 Cb 0.55 -3.95 0.01 0.00 1.02 0.00 0.00 30.24 27.88 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 -1.78 -4.44 -0.35 -1.09 1.02 -1.21 -4.90 120.64 107.88 1wh4 n GLU 37 Ca 0.00 0.61 0.13 0.00 -0.02 0.00 0.00 57.16 57.89 1wh4 n GLU 37 Cb 0.04 -5.42 0.33 0.00 -0.02 0.00 0.00 31.44 26.37 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 -1.43 1.80 0.99 0.62 0.00 -1.06 -0.70 103.07 103.30 1wh4 h GLY 38 Ca -0.50 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.43 1wh4 h GLY 38 CO 0.59 -0.09 0.18 0.11 0.00 0.00 0.00 176.54 177.32 1wh4 h TRP 39 N 0.74 0.88 -0.32 5.60 5.08 -1.75 0.35 115.95 126.53 1wh4 h TRP 39 Ca 0.59 -0.09 -0.04 0.00 1.08 0.00 0.00 58.89 60.43 1wh4 h TRP 39 Cb 0.94 -0.26 -0.02 0.00 -3.00 0.00 0.00 29.16 26.83 1wh4 h TRP 39 CO -0.01 0.75 0.01 0.87 -1.28 0.00 0.00 178.44 178.78 1wh4 h LYS 40 N 0.77 0.49 -0.09 0.12 1.57 -1.47 0.36 116.57 118.31 1wh4 h LYS 40 Ca 0.18 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 1wh4 h LYS 40 Cb 0.27 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1wh4 h LYS 40 CO -0.01 0.52 -0.28 0.87 -0.57 0.00 0.00 179.45 179.98 1wh4 h LYS 41 N 0.48 0.35 0.25 3.15 1.57 -0.92 -2.98 116.57 118.46 1wh4 h LYS 41 Ca 0.11 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1wh4 h LYS 41 Cb 0.30 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1wh4 h LYS 41 CO 0.01 0.88 -0.22 1.25 -0.57 0.00 0.00 179.45 180.80 1wh4 h LEU 42 N -0.12 -0.57 -0.59 2.94 7.12 -0.59 -1.42 115.31 122.08 1wh4 h LEU 42 Ca -0.01 0.05 0.08 0.00 0.13 0.00 0.00 57.88 58.13 1wh4 h LEU 42 Cb 0.90 0.19 -0.10 0.00 -0.53 0.00 0.00 40.66 41.12 1wh4 h LEU 42 CO 0.06 -0.33 -0.48 0.00 -0.13 0.00 0.00 178.44 177.56 1wh4 h ALA 43 N 0.21 -0.45 0.00 1.25 0.00 -1.01 -1.00 119.26 118.26 1wh4 h ALA 43 Ca -0.01 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1wh4 h ALA 43 Cb 0.44 1.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1wh4 h ALA 43 CO -0.03 -0.89 -0.34 -0.39 0.00 0.00 0.00 179.25 177.60 1wh4 h VAL 44 N -0.24 1.03 -0.47 0.00 -1.51 -1.39 -2.89 116.25 110.77 1wh4 h VAL 44 Ca 0.16 -1.27 -0.12 0.00 -1.23 0.00 0.00 66.70 64.24 1wh4 h VAL 44 Cb 0.56 1.73 -0.02 0.00 -2.13 0.00 0.00 31.29 31.43 1wh4 h VAL 44 CO -0.70 0.34 -0.16 0.00 -1.23 0.00 0.00 177.57 175.81 1wh4 h ALA 45 N 1.66 0.81 -1.86 5.19 0.00 -0.08 -3.40 119.26 121.58 1wh4 h ALA 45 Ca -0.00 -0.36 -0.58 0.00 0.00 0.00 0.00 54.91 53.97 1wh4 h ALA 45 Cb 0.70 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1wh4 h ALA 45 CO 0.04 0.65 1.25 0.42 0.00 0.00 0.00 179.25 181.62 1wh4 s ILE 46 N -4.74 3.53 0.45 0.00 1.01 -0.66 -5.00 121.20 115.79 1wh4 s ILE 46 Ca -0.11 0.54 -0.00 0.00 0.00 0.00 0.00 60.65 61.08 1wh4 s ILE 46 Cb 0.13 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 1wh4 s ILE 46 CO 0.85 -0.46 0.68 -0.54 0.00 0.00 0.00 174.94 175.47 1wh4 s LYS 47 N 5.56 3.13 1.15 2.79 3.01 -1.26 -3.38 119.74 130.74 1wh4 s LYS 47 Ca 0.77 -0.40 -0.12 0.00 -1.01 0.00 0.00 55.97 55.21 1wh4 s LYS 47 Cb -0.21 -2.54 0.28 0.00 -1.01 0.00 0.00 37.83 34.34 1wh4 s LYS 47 CO 0.33 -0.24 1.03 1.63 0.51 0.00 0.00 175.35 178.61 1wh4 n LYS 48 N -2.09 -2.26 0.30 1.68 5.02 0.83 -4.76 118.16 116.88 1wh4 n LYS 48 Ca 0.01 -0.63 0.20 0.00 -2.02 0.00 0.00 58.31 55.87 1wh4 n LYS 48 Cb 0.57 -2.20 1.02 0.00 -0.02 0.00 0.00 35.03 34.41 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 -2.61 0.00 0.00 1.97 0.11 -1.99 -0.64 132.00 128.84 1wh4 h PRO 49 Ca -0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.51 1wh4 h PRO 49 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1wh4 h PRO 49 CO 0.48 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.70 1wh4 n SER 50 N -2.96 0.37 0.00 -2.05 7.64 -1.26 -4.94 113.62 110.42 1wh4 n SER 50 Ca -0.02 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.40 1wh4 n SER 50 Cb 0.12 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 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 1.22 0.79 3.80 0.23 0.00 -0.25 -5.06 105.19 105.92 1wh4 n GLY 51 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.68 6.65 -0.04 1.61 1.11 -1.26 -4.76 116.67 117.29 1wh4 s ASP 52 Ca 0.00 1.88 -0.30 0.00 0.18 0.00 0.00 52.55 54.31 1wh4 s ASP 52 Cb 0.00 -2.56 -0.07 0.00 1.07 0.00 0.00 42.92 41.36 1wh4 s ASP 52 CO 0.00 -0.56 1.89 -1.81 1.18 0.00 0.00 175.17 175.86 1wh4 s ASP 53 N -1.93 6.37 0.21 0.27 1.01 -1.26 -0.12 116.67 121.22 1wh4 s ASP 53 Ca 0.63 2.36 -0.10 0.00 0.71 0.00 0.00 52.55 56.15 1wh4 s ASP 53 Cb -0.15 -2.53 0.16 0.00 1.01 0.00 0.00 42.92 41.41 1wh4 s ASP 53 CO 0.20 -1.16 1.88 0.03 0.21 0.00 0.00 175.17 176.33 1wh4 h ARG 54 N 10.92 1.02 -4.70 8.23 3.08 -1.85 -3.45 114.38 127.64 1wh4 h ARG 54 Ca -0.44 -0.06 -0.33 0.00 0.07 0.00 0.00 59.98 59.21 1wh4 h ARG 54 Cb 1.21 -0.23 -0.24 0.00 0.08 0.00 0.00 29.97 30.80 1wh4 h ARG 54 CO 0.95 0.68 -0.75 0.71 -1.07 0.00 0.00 179.97 180.49 1wh4 s TYR 55 N -6.12 0.76 0.51 3.04 2.02 -1.26 -5.01 117.35 111.29 1wh4 s TYR 55 Ca -0.13 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.21 1wh4 s TYR 55 Cb 0.15 -0.46 -0.00 0.00 -0.40 0.00 0.00 41.96 41.25 1wh4 s TYR 55 CO 0.78 -0.03 0.01 0.09 -1.57 0.00 0.00 175.55 174.84 1wh4 n ASN 56 N 1.94 3.22 -0.16 2.29 4.13 -1.26 -4.86 115.26 120.56 1wh4 n ASN 56 Ca -0.19 -3.26 0.03 0.00 1.68 0.00 0.00 54.58 52.83 1wh4 n ASN 56 Cb 0.56 0.43 0.06 0.00 -1.54 0.00 0.00 39.78 39.29 1wh4 n ASN 56 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wh4 n GLN 57 N -1.26 -0.04 -0.09 3.52 6.02 -1.26 -0.53 117.38 123.75 1wh4 n GLN 57 Ca -0.20 0.69 -0.06 0.00 -0.01 0.00 0.00 57.00 57.42 1wh4 n GLN 57 Cb 0.65 -1.03 0.00 0.00 1.02 0.00 0.00 30.24 30.88 1wh4 n GLN 57 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1wh4 h PHE 58 N 0.00 -0.27 0.09 1.08 3.57 -2.00 0.36 116.94 119.77 1wh4 h PHE 58 Ca 0.21 0.03 -0.26 0.00 3.53 0.00 0.00 57.97 61.49 1wh4 h PHE 58 Cb 0.33 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 1wh4 h PHE 58 CO -0.34 -0.19 -1.16 0.45 -2.23 0.00 0.00 178.31 174.85 1wh4 h HIS 59 N -0.05 0.42 -0.15 0.41 3.86 -1.20 -3.20 115.15 115.24 1wh4 h HIS 59 Ca 0.16 -0.29 0.03 0.00 -1.16 0.00 0.00 60.37 59.11 1wh4 h HIS 59 Cb 0.30 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 1wh4 h HIS 59 CO -0.34 1.21 -0.05 0.82 0.86 0.00 0.00 177.93 180.44 1wh4 h ILE 60 N 0.08 0.83 -0.97 2.45 1.08 -0.81 -1.49 117.51 118.67 1wh4 h ILE 60 Ca -0.11 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.45 1wh4 h ILE 60 Cb 1.88 0.83 -0.07 0.00 -3.07 0.00 0.00 36.82 36.39 1wh4 h ILE 60 CO 0.19 0.00 0.62 0.03 -0.69 0.00 0.00 178.15 178.30 1wh4 h ARG 61 N -0.02 1.02 0.22 2.37 2.47 -0.98 0.16 114.38 119.61 1wh4 h ARG 61 Ca 0.07 -0.06 0.01 0.00 -1.26 0.00 0.00 59.98 58.74 1wh4 h ARG 61 Cb 0.13 -0.23 -0.04 0.00 -1.65 0.00 0.00 29.97 28.18 1wh4 h ARG 61 CO -0.16 0.67 -0.39 -0.09 0.56 0.00 0.00 179.97 180.56 1wh4 h ARG 62 N 1.05 -0.66 -0.82 0.04 2.43 -1.42 -2.50 114.38 112.49 1wh4 h ARG 62 Ca 0.44 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.70 1wh4 h ARG 62 Cb 0.32 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.97 1wh4 h ARG 62 CO -0.20 -0.44 0.54 0.74 -1.51 0.00 0.00 179.97 179.10 1wh4 h PHE 63 N -0.68 0.97 0.00 2.20 0.04 -0.20 -1.33 116.94 117.93 1wh4 h PHE 63 Ca 0.00 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 1wh4 h PHE 63 Cb 0.67 -0.32 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 1wh4 h PHE 63 CO -0.29 0.56 -0.09 0.93 -0.60 0.00 0.00 178.31 178.82 1wh4 h GLU 64 N 1.00 0.00 -0.05 1.51 5.08 -0.54 -1.59 114.58 119.99 1wh4 h GLU 64 Ca 0.33 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.66 1wh4 h GLU 64 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1wh4 h GLU 64 CO -0.10 0.09 -0.12 0.00 -1.00 0.00 0.00 179.01 177.87 1wh4 h ALA 65 N 1.91 1.71 0.53 3.43 0.00 -0.79 -2.96 119.26 123.10 1wh4 h ALA 65 Ca -0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1wh4 h ALA 65 Cb 0.16 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1wh4 h ALA 65 CO 0.01 0.21 -0.26 -0.07 0.00 0.00 0.00 179.25 179.15 1wh4 h LEU 66 N 0.07 -0.61 -2.21 0.00 3.38 -1.34 -2.80 115.31 111.80 1wh4 h LEU 66 Ca 0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1wh4 h LEU 66 Cb 0.26 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1wh4 h LEU 66 CO 0.02 -0.33 0.01 0.17 0.09 0.00 0.00 178.44 178.39 1wh4 h LEU 67 N -0.86 0.00 0.00 1.67 8.10 -1.43 -0.83 115.31 121.95 1wh4 h LEU 67 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.92 1wh4 h LEU 67 Cb 0.61 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.83 1wh4 h LEU 67 CO 0.12 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.45 1wh4 n GLN 68 N -4.22 0.36 -0.53 0.17 1.13 -1.06 -1.84 117.38 111.39 1wh4 n GLN 68 Ca -0.03 0.07 0.05 0.00 -1.94 0.00 0.00 57.00 55.15 1wh4 n GLN 68 Cb 0.10 -1.50 0.08 0.00 0.11 0.00 0.00 30.24 29.03 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 -1.25 0.93 -0.90 5.09 5.66 -0.44 -5.02 114.28 118.35 1wh4 n THR 69 Ca 0.11 -1.35 0.00 0.00 -3.05 0.00 0.00 64.05 59.76 1wh4 n THR 69 Cb 0.16 0.23 0.00 0.00 -1.55 0.00 0.00 70.33 69.18 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 -0.55 0.70 3.76 1.09 0.00 -0.77 -5.01 105.19 104.42 1wh4 n GLY 70 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.28 3.08 -0.39 1.61 -0.14 -0.48 -4.91 119.74 118.22 1wh4 s LYS 71 Ca 0.00 1.64 -0.25 0.00 -1.36 0.00 0.00 55.97 56.00 1wh4 s LYS 71 Cb 0.00 -1.96 0.02 0.00 -1.68 0.00 0.00 37.83 34.20 1wh4 s LYS 71 CO 0.00 -1.08 0.90 -1.12 -0.76 0.00 0.00 175.35 173.29 1wh4 s SER 72 N -1.88 6.61 0.53 2.83 0.01 -1.26 -2.45 113.70 118.09 1wh4 s SER 72 Ca 0.73 0.43 0.18 0.00 1.31 0.00 0.00 55.95 58.61 1wh4 s SER 72 Cb -0.25 -2.45 1.32 0.00 0.21 0.00 0.00 66.02 64.85 1wh4 s SER 72 CO 0.32 -0.87 2.13 1.55 0.41 0.00 0.00 173.24 176.78 1wh4 h PRO 73 N 8.61 0.00 0.05 12.44 0.13 -1.89 -2.88 132.00 148.46 1wh4 h PRO 73 Ca -0.24 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.92 1wh4 h PRO 73 Cb 1.08 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 1wh4 h PRO 73 CO 0.98 0.00 -0.27 1.15 -0.23 0.00 0.00 178.00 179.62 1wh4 h THR 74 N 0.00 0.39 -0.52 1.56 2.02 -1.91 0.04 112.91 114.50 1wh4 h THR 74 Ca 0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 1wh4 h THR 74 Cb 0.14 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1wh4 h THR 74 CO -0.00 0.00 0.29 0.00 0.37 0.00 0.00 175.52 176.18 1wh4 h GLU 76 N 0.70 -0.31 -0.49 0.00 4.39 -1.45 -2.80 114.58 114.61 1wh4 h GLU 76 Ca 0.18 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.96 1wh4 h GLU 76 Cb 0.04 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.71 1wh4 h GLU 76 CO -0.03 -0.07 0.23 1.25 -1.16 0.00 0.00 179.01 179.23 1wh4 h LEU 77 N -0.53 0.31 -0.38 1.33 5.85 -0.68 0.12 115.31 121.33 1wh4 h LEU 77 Ca -0.03 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1wh4 h LEU 77 Cb 0.39 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1wh4 h LEU 77 CO 0.05 0.21 0.18 -0.07 -0.34 0.00 0.00 178.44 178.47 1wh4 h LEU 78 N 0.45 0.24 -0.15 2.25 3.38 -0.91 0.22 115.31 120.78 1wh4 h LEU 78 Ca 0.22 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1wh4 h LEU 78 Cb 0.16 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1wh4 h LEU 78 CO -0.18 0.18 -0.02 0.15 0.09 0.00 0.00 178.44 178.67 1wh4 h PHE 79 N 0.36 0.31 -0.16 1.13 3.04 -1.14 -1.26 116.94 119.23 1wh4 h PHE 79 Ca 0.16 -0.06 -0.03 0.00 3.98 0.00 0.00 57.97 62.02 1wh4 h PHE 79 Cb 0.09 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.52 1wh4 h PHE 79 CO -0.11 0.53 -0.02 0.22 -2.02 0.00 0.00 178.31 176.91 1wh4 h ASP 80 N 0.01 0.29 -0.73 0.41 3.58 -0.88 -2.32 116.42 116.77 1wh4 h ASP 80 Ca 0.04 -0.34 0.12 0.00 0.42 0.00 0.00 57.03 57.27 1wh4 h ASP 80 Cb 0.42 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.34 1wh4 h ASP 80 CO 0.01 0.57 0.49 -0.25 -2.88 0.00 0.00 179.24 177.17 1wh4 h TRP 81 N 0.01 0.58 -0.98 0.28 7.01 -0.59 -0.54 115.95 121.73 1wh4 h TRP 81 Ca 0.04 0.02 0.21 0.00 2.11 0.00 0.00 58.89 61.27 1wh4 h TRP 81 Cb 0.43 -0.19 -0.12 0.00 -2.10 0.00 0.00 29.16 27.19 1wh4 h TRP 81 CO 0.04 0.25 0.57 0.78 -2.79 0.00 0.00 178.44 177.29 1wh4 h GLY 82 N 0.53 1.78 2.00 2.65 0.00 -0.64 0.11 103.07 109.50 1wh4 h GLY 82 Ca 0.35 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1wh4 h GLY 82 CO -0.12 -0.16 0.00 -0.37 0.00 0.00 0.00 176.54 175.89 1wh4 n THR 83 N -4.85 0.74 0.57 4.70 5.66 -0.21 -2.90 114.28 117.99 1wh4 n THR 83 Ca 0.24 0.15 0.12 0.00 -3.05 0.00 0.00 64.05 61.51 1wh4 n THR 83 Cb 0.64 -0.92 0.28 0.00 -1.55 0.00 0.00 70.33 68.79 1wh4 n THR 83 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1wh4 h THR 84 N 0.00 0.00 0.00 1.09 2.02 -0.83 -3.48 112.91 111.72 1wh4 h THR 84 Ca 0.00 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1wh4 h THR 84 Cb 0.37 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1wh4 h THR 84 CO 0.00 0.00 0.00 0.59 0.37 0.00 0.00 175.52 176.48 1wh4 n ASN 85 N -2.25 0.00 -4.30 4.18 3.02 -1.14 -5.09 115.26 109.67 1wh4 n ASN 85 Ca 0.04 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.30 1wh4 n ASN 85 Cb 0.44 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.81 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 -3.13 0.82 0.39 0.00 -4.23 -1.26 -4.50 115.64 103.73 1wh4 s THR 87 Ca 0.68 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.24 1wh4 s THR 87 Cb -0.13 -2.53 0.26 0.00 1.34 0.00 0.00 72.50 71.44 1wh4 s THR 87 CO 0.56 0.00 2.04 0.58 -0.54 0.00 0.00 174.62 177.26 1wh4 h VAL 88 N 1.95 1.13 0.00 2.29 2.07 -0.83 -0.79 116.25 122.06 1wh4 h VAL 88 Ca -0.38 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1wh4 h VAL 88 Cb 1.26 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1wh4 h VAL 88 CO 0.62 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.95 1wh4 n GLY 89 N -1.45 -1.49 0.19 2.17 0.00 0.20 -0.67 105.19 104.14 1wh4 n GLY 89 Ca 0.04 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 1wh4 n GLY 89 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1wh4 h ASP 90 N 0.00 -0.32 0.01 1.61 1.82 -1.40 -3.31 116.42 114.84 1wh4 h ASP 90 Ca 0.00 -0.21 0.02 0.00 -0.39 0.00 0.00 57.03 56.46 1wh4 h ASP 90 Cb 0.49 0.08 -0.06 0.00 0.68 0.00 0.00 39.33 40.53 1wh4 h ASP 90 CO 0.00 0.15 -0.51 0.25 -1.61 0.00 0.00 179.24 177.52 1wh4 h LEU 91 N -0.92 -1.58 -0.68 2.28 5.85 -0.51 -1.78 115.31 117.97 1wh4 h LEU 91 Ca -0.04 0.18 0.14 0.00 0.84 0.00 0.00 57.88 59.00 1wh4 h LEU 91 Cb 0.51 0.60 -0.10 0.00 0.37 0.00 0.00 40.66 42.04 1wh4 h LEU 91 CO 0.06 -0.52 0.18 0.58 -0.34 0.00 0.00 178.44 178.40 1wh4 h VAL 92 N -0.66 0.59 0.14 1.05 2.07 -1.10 0.13 116.25 118.47 1wh4 h VAL 92 Ca 0.02 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1wh4 h VAL 92 Cb 0.72 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1wh4 h VAL 92 CO -0.35 0.05 -0.29 -0.78 0.02 0.00 0.00 177.57 176.23 1wh4 h ASP 93 N 0.30 -0.81 -0.58 0.57 3.58 -1.41 -0.14 116.42 117.93 1wh4 h ASP 93 Ca 0.37 0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.82 1wh4 h ASP 93 Cb 0.59 0.30 -0.02 0.00 1.72 0.00 0.00 39.33 41.92 1wh4 h ASP 93 CO -0.45 -0.38 0.01 -0.07 -2.88 0.00 0.00 179.24 175.47 1wh4 h LEU 94 N -0.51 1.01 -0.29 2.28 3.38 -1.22 -2.66 115.31 117.30 1wh4 h LEU 94 Ca 0.03 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.73 1wh4 h LEU 94 Cb 0.53 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1wh4 h LEU 94 CO -0.15 1.06 0.17 -0.07 0.09 0.00 0.00 178.44 179.54 1wh4 h LEU 95 N 0.95 0.29 -1.47 1.67 3.38 -0.10 -1.36 115.31 118.67 1wh4 h LEU 95 Ca 0.17 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.17 1wh4 h LEU 95 Cb 0.54 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1wh4 h LEU 95 CO 0.03 0.21 0.39 0.58 0.09 0.00 0.00 178.44 179.73 1wh4 h VAL 96 N 0.36 1.09 -0.63 1.22 2.07 -0.93 0.48 116.25 119.91 1wh4 h VAL 96 Ca 0.11 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1wh4 h VAL 96 Cb -0.01 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 1wh4 h VAL 96 CO -0.05 0.13 0.28 0.06 0.02 0.00 0.00 177.57 178.01 1wh4 h GLN 97 N 0.71 0.92 -0.10 1.57 3.07 -0.91 -2.09 115.11 118.27 1wh4 h GLN 97 Ca 0.23 -0.15 0.00 0.00 0.09 0.00 0.00 58.65 58.82 1wh4 h GLN 97 Cb 0.04 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 27.44 1wh4 h GLN 97 CO -0.06 0.76 0.00 0.44 0.09 0.00 0.00 178.83 180.06 1wh4 n ILE 98 N -4.47 0.13 -1.03 1.86 -5.35 -0.85 -4.88 119.36 104.76 1wh4 n ILE 98 Ca 0.04 -0.15 -0.01 0.00 -0.27 0.00 0.00 62.75 62.36 1wh4 n ILE 98 Cb 0.15 0.03 -0.00 0.00 -1.74 0.00 0.00 39.64 38.07 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 -0.23 -0.36 -2.03 6.28 2.13 -0.79 -4.95 120.64 120.68 1wh4 n GLU 99 Ca 0.08 0.25 -0.42 0.00 0.66 0.00 0.00 57.16 57.74 1wh4 n GLU 99 Cb 0.13 -3.65 -0.00 0.00 0.27 0.00 0.00 31.44 28.18 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 -0.13 7.12 -0.05 4.31 7.99 0.12 -4.72 117.00 131.64 1wh4 n LEU 100 Ca -0.01 -4.53 -0.12 0.00 -0.01 0.00 0.00 56.01 51.34 1wh4 n LEU 100 Cb 0.11 -1.51 -0.07 0.00 -0.11 0.00 0.00 43.42 41.84 1wh4 n LEU 100 CO 0.02 1.48 0.69 -0.26 -1.51 0.00 0.00 177.39 177.81 1wh4 h PHE 101 N 5.56 0.32 -0.49 -1.77 0.04 -1.90 -2.81 116.94 115.90 1wh4 h PHE 101 Ca 0.53 -0.07 0.09 0.00 2.80 0.00 0.00 57.97 61.31 1wh4 h PHE 101 Cb 0.55 -0.08 -0.10 0.00 2.20 0.00 0.00 35.95 38.52 1wh4 h PHE 101 CO 1.42 0.58 -0.36 0.00 -0.60 0.00 0.00 178.31 179.35 1wh4 h ALA 102 N 0.69 -0.20 -0.05 2.45 0.00 -1.97 0.20 119.26 120.39 1wh4 h ALA 102 Ca 0.03 0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 1wh4 h ALA 102 Cb 0.49 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1wh4 h ALA 102 CO 0.02 -0.75 -0.68 -1.00 0.00 0.00 0.00 179.25 176.84 1wh4 h PRO 103 N -0.23 0.22 -0.38 0.00 0.13 -1.93 -1.37 132.00 128.43 1wh4 h PRO 103 Ca 0.19 -0.17 0.06 0.00 -0.87 0.00 0.00 66.00 65.20 1wh4 h PRO 103 Cb 0.56 0.03 -0.05 0.00 0.13 0.00 0.00 31.00 31.67 1wh4 h PRO 103 CO -0.61 0.82 0.06 0.00 -0.23 0.00 0.00 178.00 178.04 1wh4 h ALA 104 N 1.14 0.40 -0.37 -0.56 0.00 -1.07 -2.34 119.26 116.47 1wh4 h ALA 104 Ca -0.02 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1wh4 h ALA 104 Cb 1.21 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1wh4 h ALA 104 CO 0.10 -0.34 -0.25 1.15 0.00 0.00 0.00 179.25 179.92 1wh4 h THR 105 N 0.19 1.27 -0.50 0.00 2.02 -0.47 -0.23 112.91 115.19 1wh4 h THR 105 Ca 0.19 -1.37 -0.02 0.00 0.77 0.00 0.00 66.41 65.98 1wh4 h THR 105 Cb 0.23 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1wh4 h THR 105 CO -0.25 0.45 0.24 0.25 0.37 0.00 0.00 175.52 176.58 1wh4 h LEU 106 N 0.64 0.62 0.02 2.58 5.85 -0.90 -1.91 115.31 122.21 1wh4 h LEU 106 Ca 0.08 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1wh4 h LEU 106 Cb 0.76 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1wh4 h LEU 106 CO 0.06 0.53 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.62 1wh4 h LEU 107 N 0.70 -0.02 -6.31 2.25 3.38 -1.17 -3.45 115.31 110.68 1wh4 h LEU 107 Ca 0.18 -0.70 -0.38 0.00 0.09 0.00 0.00 57.88 57.07 1wh4 h LEU 107 Cb 0.07 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.52 1wh4 h LEU 107 CO -0.02 0.80 -0.70 -0.22 0.09 0.00 0.00 178.44 178.39 1wh4 s LEU 108 N -8.42 0.02 0.28 1.67 2.96 -0.12 -3.64 118.68 111.43 1wh4 s LEU 108 Ca -0.14 -1.71 0.01 0.00 -0.22 0.00 0.00 54.13 52.07 1wh4 s LEU 108 Cb -0.02 0.52 0.42 0.00 0.50 0.00 0.00 46.19 47.61 1wh4 s LEU 108 CO 0.52 -0.24 1.76 1.55 -1.32 0.00 0.00 176.35 178.62 1wh4 h PRO 109 N 6.88 0.58 0.00 0.98 0.13 -1.53 -2.55 132.00 136.49 1wh4 h PRO 109 Ca 0.07 -0.18 -0.02 0.00 -0.87 0.00 0.00 66.00 64.99 1wh4 h PRO 109 Cb 1.05 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 1wh4 h PRO 109 CO 0.20 0.70 -0.11 0.22 -0.23 0.00 0.00 178.00 178.78 1wh4 h ASP 110 N 0.53 0.00 1.05 1.44 3.58 -1.93 -3.19 116.42 117.90 1wh4 h ASP 110 Ca 0.09 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.35 1wh4 h ASP 110 Cb 0.54 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.56 1wh4 h ASP 110 CO 0.03 0.11 -0.97 0.00 -2.88 0.00 0.00 179.24 175.54 1wh4 h ALA 111 N 1.89 0.44 -2.60 -0.78 0.00 -1.82 -3.45 119.26 112.94 1wh4 h ALA 111 Ca -0.00 -0.87 -0.52 0.00 0.00 0.00 0.00 54.91 53.52 1wh4 h ALA 111 Cb 0.39 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1wh4 h ALA 111 CO 0.01 1.16 0.54 0.54 0.00 0.00 0.00 179.25 181.50 1wh4 s VAL 112 N -2.75 3.80 0.16 0.00 0.11 -1.21 -4.93 120.40 115.58 1wh4 s VAL 112 Ca 0.01 1.44 -0.10 0.00 -2.93 0.00 0.00 61.98 60.40 1wh4 s VAL 112 Cb 0.09 -3.92 -0.01 0.00 -1.53 0.00 0.00 36.38 31.01 1wh4 s VAL 112 CO 0.81 0.19 1.53 1.55 -3.33 0.00 0.00 175.10 175.85 1wh4 h PRO 113 N 5.76 0.95 -5.19 1.54 0.13 -1.90 -3.33 132.00 129.95 1wh4 h PRO 113 Ca -0.43 -0.44 -0.44 0.00 -0.87 0.00 0.00 66.00 63.81 1wh4 h PRO 113 Cb 1.21 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1wh4 h PRO 113 CO 0.76 1.11 1.49 1.04 -0.23 0.00 0.00 178.00 182.17 1wh4 n GLN 114 N -4.09 1.65 -1.78 0.86 1.13 -1.26 -4.96 117.38 108.94 1wh4 n GLN 114 Ca -0.01 -2.33 -0.39 0.00 -1.94 0.00 0.00 57.00 52.33 1wh4 n GLN 114 Cb 0.49 -3.48 0.03 0.00 0.11 0.00 0.00 30.24 27.39 1wh4 n GLN 114 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1wh4 s THR 115 N 8.95 2.04 -0.47 5.09 -1.32 -1.25 -5.02 115.64 123.66 1wh4 s THR 115 Ca 0.64 0.03 0.06 0.00 -1.21 0.00 0.00 61.69 61.22 1wh4 s THR 115 Cb 0.04 -3.02 0.21 0.00 -1.51 0.00 0.00 72.50 68.22 1wh4 s THR 115 CO 0.13 0.00 0.64 1.33 -2.21 0.00 0.00 174.62 174.51 1wh4 n VAL 116 N -0.54 -0.40 -1.53 5.08 0.24 -1.26 -5.10 118.33 114.80 1wh4 n VAL 116 Ca 0.07 -2.15 -0.42 0.00 -2.04 0.00 0.00 64.34 59.80 1wh4 n VAL 116 Cb 0.43 0.03 -0.05 0.00 -1.47 0.00 0.00 33.84 32.77 1wh4 n VAL 116 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1wh4 n LYS 117 N 2.39 1.22 -4.27 7.34 4.01 -1.26 -4.92 118.16 122.67 1wh4 n LYS 117 Ca 0.19 0.22 -0.15 0.00 -0.51 0.00 0.00 58.31 58.07 1wh4 n LYS 117 Cb 0.55 -2.98 -0.10 0.00 -0.51 0.00 0.00 35.03 31.99 1wh4 n LYS 117 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1wh4 s SER 118 N 9.67 1.66 0.17 4.39 0.01 -1.26 -5.18 113.70 123.17 1wh4 s SER 118 Ca 1.05 -1.11 -0.09 0.00 1.31 0.00 0.00 55.95 57.10 1wh4 s SER 118 Cb -0.48 0.03 -0.01 0.00 0.21 0.00 0.00 66.02 65.77 1wh4 s SER 118 CO 0.36 -0.45 0.31 -1.48 0.41 0.00 0.00 173.24 172.39 1wh4 s LEU 119 N -3.21 0.87 0.30 2.44 2.34 -1.26 -5.14 118.68 115.02 1wh4 s LEU 119 Ca 0.22 -0.88 -0.29 0.00 0.06 0.00 0.00 54.13 53.24 1wh4 s LEU 119 Cb 0.04 1.25 -0.10 0.00 -0.56 0.00 0.00 46.19 46.83 1wh4 s LEU 119 CO 0.04 -0.92 1.15 -2.16 -1.06 0.00 0.00 176.35 173.40 1wh4 s PRO 120 N -3.97 4.56 0.12 1.48 0.04 -1.26 -5.03 135.00 130.93 1wh4 s PRO 120 Ca 0.18 1.91 -0.31 0.00 0.04 0.00 0.00 61.00 62.82 1wh4 s PRO 120 Cb 0.03 -3.15 -0.08 0.00 0.04 0.00 0.00 34.50 31.35 1wh4 s PRO 120 CO 0.01 0.10 1.33 -1.25 0.04 0.00 0.00 177.00 177.22 1wh4 s PRO 121 N -1.56 4.36 0.40 0.56 0.04 -1.26 -4.94 135.00 132.61 1wh4 s PRO 121 Ca 0.46 2.00 0.27 0.00 0.04 0.00 0.00 61.00 63.76 1wh4 s PRO 121 Cb -0.34 -3.26 0.85 0.00 0.04 0.00 0.00 34.50 31.79 1wh4 s PRO 121 CO 0.44 -0.35 1.77 0.77 0.04 0.00 0.00 177.00 179.68 1wh4 h SER 122 N 6.47 0.00 -3.38 6.66 0.02 -1.97 -3.41 113.55 117.95 1wh4 h SER 122 Ca -0.43 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 59.88 1wh4 h SER 122 Cb 1.21 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.35 1wh4 h SER 122 CO 0.83 0.00 -0.44 -0.83 -1.14 0.00 0.00 176.83 175.25 1wh4 s GLY 123 N -3.97 2.90 -0.02 -3.77 0.00 -1.26 -4.96 107.32 96.23 1wh4 s GLY 123 Ca 0.05 -3.75 -0.19 0.00 0.00 0.00 0.00 44.72 40.84 1wh4 s GLY 123 CO 0.57 1.10 0.78 -0.56 0.00 0.00 0.00 173.10 174.99 1wh4 h PRO 124 N 5.77 -0.61 -0.69 2.90 0.13 -1.98 -3.34 132.00 134.18 1wh4 h PRO 124 Ca 0.11 0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.21 1wh4 h PRO 124 Cb 0.80 0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.04 1wh4 h PRO 124 CO 0.75 -0.39 0.15 0.77 -0.23 0.00 0.00 178.00 179.05 1wh4 h SER 125 N -1.15 1.06 -4.97 1.44 0.02 -2.00 -3.45 113.55 104.49 1wh4 h SER 125 Ca -0.07 -0.23 0.03 0.00 -0.84 0.00 0.00 61.79 60.68 1wh4 h SER 125 Cb 0.51 -0.28 -0.11 0.00 0.14 0.00 0.00 62.40 62.66 1wh4 h SER 125 CO 0.11 1.02 0.26 -0.94 -1.14 0.00 0.00 176.83 176.14 1wh4 s SER 126 N -6.48 -0.46 0.00 3.07 1.04 -1.25 -5.31 113.70 104.31 1wh4 s SER 126 Ca -0.12 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1wh4 s SER 126 Cb 0.15 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.86 1wh4 s SER 126 CO 0.85 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 174.67